A0A3Q0KTB3_SCHMA Loading...

DNA damage-binding protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KTB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,338 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.2Low89.6Confident54 Ų5424.9 Ų24.927%0.26612%0.115SC..  0117.90-77.7-166177.900109.7H1051 E1070 N1071 Q1227 T1312M1-H1051 PolarHBondContact N-CE1 2.95Å; M1-H1051 PolarHBondContact N-NE2 3.26Å; M1-E1070 HydrophobicContact CE-CB 3.84Å; M1-E1070 HydrophobicContact CE-CG 4.24Å; M1-E1070 WeakPolarHBondContact CG-O 3.31Å; M1-N1071 WeakPolarHBondContact CA-OD1 3.49Å; M1-N1071 PolarHBondContact N-OD1 3.18Å; M1-Q1227 PolarHBondContact O-NE2 3.29Å; M1-T1312 HydrophobicContact CE-CG2 4.28Å; M1-T1312 HydrophobicContact CG-CG2 4.45Å; M1-T1312 HydrophobicContact SD-CG2 4.18Å
2A80.6Confident90Very high0 Ų023.5 Ų23.50%011%0.11CC..  trans-109.5110.9-176.900000109F4 H1051 N1272A2-F4 HydrophobicContact CB-CE2 3.52Å; A2-F4 HydrophobicContact CB-CZ 3.61Å; A2-H1051 WeakPolarHBondContact CB-CD2 3.36Å; A2-N1272 WeakPolarHBondContact O-CB 3.38Å; A2-N1272 PolarHBondContact O-ND2 2.9Å
3H91.9Very high90.4Very high3 Ų322.8 Ų22.81%0.01411%0.109CC..  trans-137.8127.6178.6-58.39.3000106.4P1075 Q1227 V1228 F1233H3-P1075 WeakPolarHBondContact NE2-CD 3.47Å; H3-P1075 WeakPolarHBondContact NE2-CG 3.47Å; H3-Q1227 CarbonylContact O-C 3.52Å; H3-Q1227 WeakPolarHBondContact O-CA 3.49Å; H3-V1228 HydrophobicContact CB-CG2 4.12Å; H3-V1228 PolarHBondContact O-N 3.02Å; H3-F1233 HydrophobicContact CB-CB 4.12Å; H3-F1233 HydrophobicContact CB-CD2 3.76Å; H3-F1233 HydrophobicContact CB-CE2 4.42Å; H3-F1233 HydrophobicContact CB-CG 3.96Å; H3-F1233 AromaticContact CD2-CG 3.99Å
4F94.8Very high90.9Very high5 Ų521.2 Ų21.22%0.02210%0.101CC..EExtended strand (participates in β ladder)trans-128.4145.1-168-55.9-74000113.2A2 L1047 V1063 A1180 L1225 V1226 Q1227 N1272 F1273 V1274A2-F4 HydrophobicContact CB-CE2 3.52Å; A2-F4 HydrophobicContact CB-CZ 3.61Å; F4-L1047 HydrophobicContact CE1-CD1 3.75Å; F4-L1047 HydrophobicContact CZ-CD1 3.52Å; F4-V1063 HydrophobicContact CD2-CG2 4.23Å; F4-V1063 HydrophobicContact CE2-CB 4.06Å; F4-V1063 HydrophobicContact CE2-CG1 4.18Å; F4-V1063 HydrophobicContact CE2-CG2 3.57Å; F4-V1063 HydrophobicContact CZ-CG1 4.21Å; F4-V1063 HydrophobicContact CZ-CG2 4Å; F4-A1180 HydrophobicContact CD2-CB 3.87Å; F4-A1180 HydrophobicContact CE2-CB 3.87Å; F4-L1225 HydrophobicContact CB-CD1 3.64Å; F4-L1225 HydrophobicContact CB-CG 4.31Å; F4-L1225 HydrophobicContact CD1-CD1 4.29Å; F4-L1225 HydrophobicContact CD1-CD2 4.15Å; F4-L1225 HydrophobicContact CD1-CG 4.06Å; F4-L1225 HydrophobicContact CG-CD1 4.06Å; F4-L1225 HydrophobicContact CG-CD2 4.44Å; F4-L1225 HydrophobicContact CG-CG 4.32Å; F4-V1226 WeakPolarHBondContact CA-O 3.5Å; F4-Q1227 HydrophobicContact CD1-CB 4.27Å; F4-Q1227 HydrophobicContact CE1-CB 4.19Å; F4-Q1227 HydrophobicContact CE1-CG 4.26Å; F4-N1272 PolarHBondContact N-O 2.84Å; F4-F1273 HydrophobicContact CB-CD1 4.15Å; F4-F1273 HydrophobicContact CB-CE1 4.21Å; F4-F1273 HydrophobicContact CB-CG 4.42Å; F4-F1273 HydrophobicContact CD2-CD2 4.45Å; F4-F1273 HydrophobicContact CD2-CE2 4.1Å; F4-F1273 HydrophobicContact CD2-CZ 4.28Å; F4-F1273 CarbonylContact O-C 3.57Å; F4-F1273 WeakPolarHBondContact O-CA 3.31Å; F4-V1274 PolarHBondContact O-N 2.85Å
5Y95.6Very high91.3Very high0 Ų019.9 Ų19.90%010%0.095CC..EExtended strand (participates in β ladder)trans-105.4127.2161.7177.5-90.6000107.6V7 V1226 L1236 V1274 G1276 I1279 E1280 M1334Y5-V7 HydrophobicContact CD1-CB 4.43Å; Y5-V7 HydrophobicContact CD1-CG1 4.39Å; Y5-V7 HydrophobicContact CE1-CB 3.78Å; Y5-V7 HydrophobicContact CE1-CG1 3.88Å; Y5-V1226 HydrophobicContact CD1-CG2 3.96Å; Y5-V1226 HydrophobicContact CG-CG2 4.48Å; Y5-V1226 PolarHBondContact N-O 2.98Å; Y5-V1226 PolarHBondContact O-N 2.97Å; Y5-L1236 HydrophobicContact CD2-CD1 3.98Å; Y5-L1236 HydrophobicContact CE2-CD1 4.35Å; Y5-V1274 HydrophobicContact CD2-CB 4.2Å; Y5-V1274 HydrophobicContact CD2-CG1 3.87Å; Y5-V1274 HydrophobicContact CE2-CG1 4.31Å; Y5-G1276 WeakPolarHBondContact OH-CA 3.33Å; Y5-I1279 HydrophobicContact CE2-CB 4.27Å; Y5-I1279 HydrophobicContact CE2-CG1 4.27Å; Y5-I1279 HydrophobicContact CE2-CG2 4.39Å; Y5-E1280 PolarHBondContact OH-OE1 3.47Å; Y5-M1334 HydrophobicContact CD1-CE 3.48Å; Y5-M1334 VanDerWaalsContact CD1-CE 3.48Å; Y5-M1334 HydrophobicContact CD2-CE 3.53Å; Y5-M1334 HydrophobicContact CE1-CB 4.37Å; Y5-M1334 HydrophobicContact CE1-CE 3.73Å; Y5-M1334 HydrophobicContact CE2-CB 4.41Å; Y5-M1334 HydrophobicContact CE2-CE 3.76Å; Y5-M1334 HydrophobicContact CE2-CG 4.49Å; Y5-M1334 HydrophobicContact CG-CE 3.36Å
6H96.2Very high91.3Very high0 Ų021.2 Ų21.20%010%0.104CC..EExtended strand (participates in β ladder)trans-111.2135.7178.6162.5-93000108.6F1182 Y1215 L1224 L1225 F1273 V1274 G1276 D1277H6-F1182 HydrophobicContact CB-CE1 4.44Å; H6-F1182 AromaticContact CE1-CE1 3.7Å; H6-F1182 AromaticContact CG-CE1 3.74Å; H6-F1182 AromaticContact ND1-CE1 3.23Å; H6-F1182 WeakPolarHBondContact ND1-CE1 3.21Å; H6-F1182 AromaticContact ND1-CZ 3.39Å; H6-F1182 WeakPolarHBondContact ND1-CZ 3.36Å; H6-Y1215 AromaticContact CD2-CE1 3.83Å; H6-Y1215 AromaticContact NE2-CE1 3.71Å; H6-Y1215 AromaticContact NE2-CZ 3.7Å; H6-Y1215 PolarHBondContact NE2-OH 2.99Å; H6-L1224 WeakPolarHBondContact CA-O 3.39Å; H6-L1225 HydrophobicContact CB-CD1 4.3Å; H6-F1273 HydrophobicContact CB-CD1 3.93Å; H6-F1273 HydrophobicContact CB-CE1 4.24Å; H6-V1274 PolarHBondContact N-O 3.15Å; H6-G1276 WeakPolarHBondContact O-CA 3.4Å; H6-G1276 PolarHBondContact O-N 2.78Å; H6-D1277 IonicContact CE1-OD2 3.14Å
7V94.8Very high91.5Very high1 Ų125.5 Ų25.51%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-148.7147175.364.90000111.3Y5 G1223 L1224Y5-V7 HydrophobicContact CD1-CB 4.43Å; Y5-V7 HydrophobicContact CD1-CG1 4.39Å; Y5-V7 HydrophobicContact CE1-CB 3.78Å; Y5-V7 HydrophobicContact CE1-CG1 3.88Å; V7-G1223 CarbonylContact O-C 3.45Å; V7-G1223 VanDerWaalsContact O-CA 3.23Å; V7-G1223 WeakPolarHBondContact O-CA 3.13Å; V7-L1224 HydrophobicContact CG1-CB 4.03Å; V7-L1224 HydrophobicContact CG1-CD2 4.43Å; V7-L1224 PolarHBondContact N-O 2.99Å; V7-L1224 PolarHBondContact O-N 2.93Å
8T92.5Very high91.7Very high36 Ų3624.6 Ų24.622%0.22112%0.118CC..EExtended strand (participates in β ladder)trans-86.4110176-58.90000109.7Q10 R11 L1222 D1277T8-Q10 VanDerWaalsContact CG2-O 3.25Å; T8-Q10 WeakPolarHBondContact CG2-O 3.12Å; T8-R11 HydrophobicContact CG2-CG 4.38Å; T8-L1222 CarbonylContact C-O 3.58Å; T8-D1277 WeakPolarHBondContact CB-OD1 3.32Å; T8-D1277 PolarHBondContact N-OD1 3.4Å; T8-D1277 PolarHBondContact OG1-OD1 2.71Å; T8-D1277 VanDerWaalsContact OG1-OD1 3.09Å; T8-D1277 PolarHBondContact OG1-OD2 2.77Å
9T89.5Confident91.9Very high16 Ų1624.1 Ų24.110%0.09812%0.118CC..EExtended strand (participates in β ladder)trans-83.5-30.3-178.271.90000112.4L1214 L1222 L1224 H1338T9-L1214 HydrophobicContact CG2-CD2 4.22Å; T9-L1222 PolarHBondContact N-O 2.84Å; T9-L1222 VanDerWaalsContact OG1-CB 3.24Å; T9-L1222 WeakPolarHBondContact OG1-CB 3.33Å; T9-L1222 PolarHBondContact OG1-O 2.8Å; T9-L1224 HydrophobicContact CG2-CB 3.52Å; T9-H1338 HydrophobicContact CG2-CB 3.32Å
10Q91.5Very high92Very high48 Ų4825.9 Ų25.922%0.22413%0.13CC..EExtended strand (participates in β ladder)trans-133.2122.6169.4177.849.453.600108T8 T13 I380 L791 G1221 L1222T8-Q10 VanDerWaalsContact CG2-O 3.25Å; T8-Q10 WeakPolarHBondContact CG2-O 3.12Å; Q10-T13 HydrophobicContact CG-CG2 4.39Å; Q10-I380 HydrophobicContact CG-CD1 3.86Å; Q10-L791 HydrophobicContact CB-CD1 3.83Å; Q10-L791 HydrophobicContact CG-CD1 4.44Å; Q10-G1221 CarbonylContact O-C 3.55Å; Q10-G1221 VanDerWaalsContact O-CA 3.23Å; Q10-G1221 WeakPolarHBondContact O-CA 3.36Å; Q10-L1222 HydrophobicContact CB-CB 3.82Å; Q10-L1222 HydrophobicContact CB-CD1 4.05Å; Q10-L1222 HydrophobicContact CB-CG 4.02Å; Q10-L1222 PolarHBondContact N-O 3.29Å; Q10-L1222 VanDerWaalsContact N-O 3.12Å; Q10-L1222 PolarHBondContact O-N 3.25Å
11R91.7Very high92.2Very high111 Ų11125 Ų2542%0.41913%0.128SC..  trans-65153.5174.3-68.3-173.7-61.21732.4110.7T8 T13 Y38 D54T8-R11 HydrophobicContact CG2-CG 4.38Å; R11-T13 PolarHBondContact O-N 3.45Å; R11-Y38 HydrophobicContact CB-CE1 3.98Å; R11-D54 IonicContact CZ-OD2 3.54Å; R11-D54 IonicContact NH1-OD2 2.67Å; R11-D54 PolarHBondContact NH1-OD2 2.63Å; R11-D54 IonicContact NH2-OD2 3.78Å; R11-D54 PolarHBondContact NH2-OD2 3.04Å
12P94.7Very high93.6Very high8 Ų825.5 Ų25.55%0.05213%0.13CC..  trans-47.1130.8172.7-30.136.8000112.4N36 Y38 N1219P12-N36 HydrophobicContact CB-CB 4.02Å; P12-N36 HydrophobicContact CG-CB 4.11Å; P12-Y38 HydrophobicContact CB-CE1 4.43Å; P12-Y38 WeakPolarHBondContact O-CE1 3.41Å; P12-Y38 PolarHBondContact O-OH 2.89Å; P12-N1219 CarbonylContact C-O 3.57Å; P12-N1219 WeakPolarHBondContact CA-O 3.31Å; P12-N1219 HydrophobicContact CB-CB 3.93Å
13T95.5Very high94.3Very high15 Ų1525.6 Ų25.69%0.09213%0.13CC..  trans-103.6-25.6-17855.80000112.8Q10 R11 N379 I380 N1219Q10-T13 HydrophobicContact CG-CG2 4.39Å; R11-T13 PolarHBondContact O-N 3.45Å; T13-N379 WeakPolarHBondContact OG1-CA 3.35Å; T13-N379 PolarHBondContact OG1-OD1 3.06Å; T13-I380 HydrophobicContact CG2-CG1 4.32Å; T13-I380 PolarHBondContact OG1-N 3.5Å; T13-N1219 PolarHBondContact N-O 2.87Å
14A96.9Very high94.4Very high0 Ų026 Ų260%013%0.132CC..  trans-64.6131.4179.400000111.7N379 N1219A14-N379 PolarHBondContact N-OD1 2.83Å; A14-N1219 HydrophobicContact CB-CB 4.02Å; A14-N1219 WeakPolarHBondContact CB-O 3.47Å; A14-N1219 PolarHBondContact N-O 3.33Å
15V96.5Very high94.2Very high1 Ų126.8 Ų26.81%0.00614%0.139CC..  trans-90.8109.7179176.10000109.6T18 I33 K35 F346 S349 T350 S354V15-T18 HydrophobicContact CG1-CG2 3.67Å; V15-I33 HydrophobicContact CB-CG2 4.2Å; V15-I33 HydrophobicContact CG1-CG2 3.59Å; V15-I33 HydrophobicContact CG2-CG2 3.6Å; V15-K35 HydrophobicContact CG2-CG 4.32Å; V15-F346 HydrophobicContact CG1-CE1 4.39Å; V15-S349 PolarHBondContact N-O 2.86Å; V15-T350 WeakPolarHBondContact O-CG2 3.38Å; V15-S354 WeakPolarHBondContact CG2-OG 3.3Å
16V92.7Very high94.1Very high41 Ų4129 Ų2925%0.24815%0.154CC..  trans-84-37.2-176.7-176.70000111.5C34V16-C34 PolarHBondContact N-O 2.81Å
17K93.7Very high93.9Very high95 Ų9536.1 Ų36.141%0.41319%0.191SC..EExtended strand (participates in β ladder)trans-153.3146.4178-166.762.6176.3-179.60111.3C34K17-C34 HydrophobicContact CB-CB 4.15Å; K17-C34 PolarHBondContact N-O 3.38Å; K17-C34 WeakPolarHBondContact O-CB 3.37Å; K17-C34 PolarHBondContact O-N 3.46Å
18T95.8Very high93.8Very high8 Ų837.3 Ų37.35%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-119.4149.1167.754.60000111V15 L31 L32 I33 S336 F346V15-T18 HydrophobicContact CG1-CG2 3.67Å; T18-L31 HydrophobicContact CG2-CD1 4.44Å; T18-L32 CarbonylContact C-O 3.59Å; T18-L32 VanDerWaalsContact CA-O 3.31Å; T18-L32 WeakPolarHBondContact CA-O 3.34Å; T18-I33 HydrophobicContact CG2-CG1 4.41Å; T18-I33 HydrophobicContact CG2-CG2 4.37Å; T18-S336 PolarHBondContact N-OG 3.12Å; T18-S336 WeakPolarHBondContact OG1-CB 3.36Å; T18-S336 PolarHBondContact OG1-OG 3.18Å; T18-F346 HydrophobicContact CG2-CD1 3.75Å; T18-F346 HydrophobicContact CG2-CE1 3.71Å
19C94.3Very high94Very high16 Ų1637.6 Ų37.611%0.10820%0.198CC..EExtended strand (participates in β ladder)trans-138.9143.7176.1-64.90000109.4L32 L66C19-L32 HydrophobicContact CB-CB 4.31Å; C19-L32 PolarHBondContact N-O 3.44Å; C19-L32 PolarHBondContact O-N 3.42Å; C19-L66 HydrophobicContact CB-CD1 3.9Å; C19-L66 HydrophobicContact CB-CG 4.03Å
20T95.6Very high94.4Very high59 Ų5936.9 Ų36.936%0.36219%0.193SC..EExtended strand (participates in β ladder)trans-123.9146.7175.552.70000110.6N30 L31 A338 L340T20-N30 WeakPolarHBondContact CA-O 3.4Å; T20-L31 HydrophobicContact CG2-CD1 3.93Å; T20-A338 HydrophobicContact CG2-CB 3.74Å; T20-L340 HydrophobicContact CG2-CD2 3.62Å
21G94.8Very high94.6Very high9 Ų934.6 Ų34.69%0.09318%0.182CC..EExtended strand (participates in β ladder)trans164.4-165.3-176.600000112.6N30G21-N30 PolarHBondContact N-O 3.35Å; G21-N30 PolarHBondContact O-N 2.95Å
22H96.1Very high94.9Very high64 Ų6429.3 Ų29.330%0.29616%0.162SC..  trans-111.573.1-173.3-59.2-74.8000110.3P26 D28 R68 T74 D75H22-P26 PolarHBondContact ND1-O 3.35Å; H22-D28 WeakPolarHBondContact CA-O 3.44Å; H22-D28 PolarHBondContact ND1-O 2.92Å; H22-R68 PolarHBondContact CD2-NH2 2.66Å; H22-R68 VanDerWaalsContact CD2-NH2 3.34Å; H22-T74 WeakPolarHBondContact O-CA 2.95Å; H22-D75 PolarHBondContact N-OD2 3.43Å; H22-D75 PolarHBondContact O-N 2.95Å
23F95.7Very high95.1Very high2 Ų229.1 Ų29.11%0.00916%0.161CC..SBendtrans-90-43.4-169.9-172-124.9000112.9N30 L32 V41 L66 D75 L77 I89 C91 F100F23-N30 WeakPolarHBondContact CA-OD1 3.42Å; F23-N30 HydrophobicContact CB-CB 4.24Å; F23-N30 PolarHBondContact N-OD1 3.37Å; F23-L32 HydrophobicContact CB-CD1 4.08Å; F23-L32 HydrophobicContact CD1-CD1 4.03Å; F23-L32 HydrophobicContact CD1-CD2 3.98Å; F23-L32 HydrophobicContact CD1-CG 4.38Å; F23-L32 HydrophobicContact CE1-CD2 4.16Å; F23-L32 HydrophobicContact CG-CD1 4.29Å; F23-L32 HydrophobicContact CG-CD2 4.28Å; F23-V41 HydrophobicContact CD1-CG1 4.08Å; F23-V41 HydrophobicContact CE1-CG2 4.37Å; F23-L66 HydrophobicContact CB-CD2 4.39Å; F23-L66 HydrophobicContact CD2-CD2 3.85Å; F23-L66 HydrophobicContact CE2-CD2 4.45Å; F23-L66 HydrophobicContact CG-CD2 4.28Å; F23-D75 WeakPolarHBondContact CD2-O 3.41Å; F23-L77 HydrophobicContact CE2-CB 3.79Å; F23-L77 HydrophobicContact CZ-CB 3.97Å; F23-I89 HydrophobicContact CZ-CG2 4.34Å; F23-C91 HydrophobicContact CD1-CB 4.19Å; F23-C91 HydrophobicContact CE1-CB 4.07Å; F23-C91 HydrophobicContact CE2-CB 4.41Å; F23-C91 HydrophobicContact CG-CB 4.44Å; F23-C91 HydrophobicContact CZ-CB 4.17Å; F23-C91 VanDerWaalsContact O-CB 3.29Å; F23-C91 WeakPolarHBondContact O-CB 3.26Å; F23-F100 HydrophobicContact CD1-CE1 4.42Å; F23-F100 AromaticContact CE1-CD1 3.88Å; F23-F100 HydrophobicContact CE1-CD1 3.88Å; F23-F100 AromaticContact CE1-CE1 3.69Å; F23-F100 HydrophobicContact CE1-CE1 3.69Å; F23-F100 HydrophobicContact CZ-CD1 4.24Å; F23-F100 HydrophobicContact CZ-CE1 4.47Å
24T93.2Very high95.1Very high10 Ų1028.4 Ų28.46%0.06116%0.157CC..SBendtrans-84-31.3-178550000113.7D28 N30 V41 V52T24-D28 VanDerWaalsContact OG1-CB 3.31Å; T24-D28 WeakPolarHBondContact OG1-CB 3.3Å; T24-D28 PolarHBondContact OG1-OD2 2.86Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.17Å; T24-N30 PolarHBondContact N-OD1 2.83Å; T24-N30 PolarHBondContact OG1-ND2 3.43Å; T24-N30 PolarHBondContact OG1-OD1 2.78Å; T24-V41 HydrophobicContact CG2-CG1 4.14Å; T24-V52 HydrophobicContact CG2-CG1 4.45Å
25S92.1Very high95Very high22 Ų2229.6 Ų29.615%0.15416%0.162CC..  trans-157.5159.6172.2115.60000109.7N27 D28S25-N27 PolarHBondContact O-N 3.32Å; S25-N27 VanDerWaalsContact O-N 3.14Å; S25-N27 PolarHBondContact OG-N 2.73Å; S25-N27 VanDerWaalsContact OG-N 3.16Å; S25-D28 VanDerWaalsContact CB-CG 3.41Å; S25-D28 VanDerWaalsContact CB-OD1 3.3Å; S25-D28 WeakPolarHBondContact CB-OD1 3.32Å; S25-D28 WeakPolarHBondContact CB-OD2 3.29Å; S25-D28 PolarHBondContact O-N 2.89Å; S25-D28 PolarHBondContact OG-N 3.28Å; S25-D28 PolarHBondContact OG-OD1 2.67Å
26P92.9Very high94.9Very high48 Ų4829.7 Ų29.731%0.31216%0.162SC..SBendtrans-61.8-19.3178.5-22.234.3000114.2H22 E73 T74H22-P26 PolarHBondContact ND1-O 3.35Å; P26-E73 HydrophobicContact CB-CB 4.24Å; P26-E73 HydrophobicContact CG-CB 3.72Å; P26-T74 HydrophobicContact CG-CG2 3.93Å
27N92.7Very high94.9Very high149 Ų14929.2 Ų29.280%0.79716%0.16SC*.SBendtrans-104.8-17.7-178.4-60.9-43000113.2S25S25-N27 PolarHBondContact O-N 3.32Å; S25-N27 VanDerWaalsContact O-N 3.14Å; S25-N27 PolarHBondContact OG-N 2.73Å; S25-N27 VanDerWaalsContact OG-N 3.16Å
28D92.6Very high95Very high25 Ų2525.2 Ų25.213%0.13414%0.142CC..  trans-78.5133.1179.9-54.34.4000107.4H22 T24 S25 R93H22-D28 WeakPolarHBondContact CA-O 3.44Å; H22-D28 PolarHBondContact ND1-O 2.92Å; T24-D28 VanDerWaalsContact OG1-CB 3.31Å; T24-D28 WeakPolarHBondContact OG1-CB 3.3Å; T24-D28 PolarHBondContact OG1-OD2 2.86Å; S25-D28 VanDerWaalsContact CB-CG 3.41Å; S25-D28 VanDerWaalsContact CB-OD1 3.3Å; S25-D28 WeakPolarHBondContact CB-OD1 3.32Å; S25-D28 WeakPolarHBondContact CB-OD2 3.29Å; S25-D28 PolarHBondContact O-N 2.89Å; S25-D28 PolarHBondContact OG-N 3.28Å; S25-D28 PolarHBondContact OG-OD1 2.67Å; D28-R93 IonicContact OD2-NH1 3.25Å; D28-R93 PolarHBondContact OD2-NH1 2.9Å
29L96.2Very high95Very high43 Ų4325 Ų2523%0.22514%0.14CC..  trans-89.4124.2164.7178.763.6000107.9V44 L340 D341L29-V44 HydrophobicContact CB-CB 4.23Å; L29-V44 HydrophobicContact CB-CG2 4.46Å; L29-V44 HydrophobicContact CD2-CB 4.18Å; L29-V44 HydrophobicContact CD2-CG1 4.28Å; L29-V44 HydrophobicContact CD2-CG2 4.19Å; L29-V44 HydrophobicContact CG-CB 4.17Å; L29-V44 HydrophobicContact CG-CG2 3.97Å; L29-V44 WeakPolarHBondContact O-CB 3.47Å; L29-V44 WeakPolarHBondContact O-CG2 3.19Å; L29-V44 PolarHBondContact O-N 3.41Å; L29-L340 HydrophobicContact CD2-CB 4.43Å; L29-D341 HydrophobicContact CD2-CB 4.21Å
30N96.9Very high95Very high0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-111.8147.1179.2-58.5115.1000112.1T20 G21 F23 T24 L32 F42T20-N30 WeakPolarHBondContact CA-O 3.4Å; G21-N30 PolarHBondContact N-O 3.35Å; G21-N30 PolarHBondContact O-N 2.95Å; F23-N30 WeakPolarHBondContact CA-OD1 3.42Å; F23-N30 HydrophobicContact CB-CB 4.24Å; F23-N30 PolarHBondContact N-OD1 3.37Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.17Å; T24-N30 PolarHBondContact N-OD1 2.83Å; T24-N30 PolarHBondContact OG1-ND2 3.43Å; T24-N30 PolarHBondContact OG1-OD1 2.78Å; N30-L32 HydrophobicContact CB-CD1 3.81Å; N30-F42 WeakPolarHBondContact CA-O 3.46Å; N30-F42 WeakPolarHBondContact CB-O 3.46Å; N30-F42 PolarHBondContact ND2-O 3.24Å; N30-F42 VanDerWaalsContact ND2-O 3.13Å
31L97.5Very high95.1Very high0 Ų022.2 Ų22.20%012%0.122CC..EExtended strand (participates in β ladder)trans-112.2122.3163.4172.164.7000107.8T18 T20 I33 F42 V44 L49 A338 L340 F346T18-L31 HydrophobicContact CG2-CD1 4.44Å; T20-L31 HydrophobicContact CG2-CD1 3.93Å; L31-I33 HydrophobicContact CD1-CG1 4.43Å; L31-I33 HydrophobicContact CD2-CD1 4.01Å; L31-I33 HydrophobicContact CD2-CG1 4.12Å; L31-I33 HydrophobicContact CG-CD1 4.35Å; L31-I33 HydrophobicContact CG-CG1 3.91Å; L31-F42 HydrophobicContact CB-CB 4.32Å; L31-F42 PolarHBondContact N-O 2.99Å; L31-F42 VanDerWaalsContact N-O 3.1Å; L31-F42 PolarHBondContact O-N 2.78Å; L31-V44 HydrophobicContact CB-CG2 4.39Å; L31-L49 HydrophobicContact CB-CD2 4.36Å; L31-L49 HydrophobicContact CD2-CD1 3.65Å; L31-L49 HydrophobicContact CD2-CD2 4.07Å; L31-A338 HydrophobicContact CD1-CB 3.76Å; L31-L340 HydrophobicContact CB-CD2 4.08Å; L31-L340 HydrophobicContact CD1-CD2 4.2Å; L31-L340 HydrophobicContact CD2-CD2 4.35Å; L31-L340 HydrophobicContact CG-CD2 4.44Å; L31-F346 HydrophobicContact CD2-CB 3.77Å; L31-F346 HydrophobicContact CD2-CD1 4.3Å; L31-F346 HydrophobicContact CD2-CD2 3.73Å; L31-F346 HydrophobicContact CD2-CE2 4.41Å; L31-F346 HydrophobicContact CD2-CG 3.66Å
32L97.7Very high95.1Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-104.7126.2173-81.264.4000108.5T18 C19 F23 N30 V39 E40 V41 L66 L77T18-L32 CarbonylContact C-O 3.59Å; T18-L32 VanDerWaalsContact CA-O 3.31Å; T18-L32 WeakPolarHBondContact CA-O 3.34Å; C19-L32 HydrophobicContact CB-CB 4.31Å; C19-L32 PolarHBondContact N-O 3.44Å; C19-L32 PolarHBondContact O-N 3.42Å; F23-L32 HydrophobicContact CB-CD1 4.08Å; F23-L32 HydrophobicContact CD1-CD1 4.03Å; F23-L32 HydrophobicContact CD1-CD2 3.98Å; F23-L32 HydrophobicContact CD1-CG 4.38Å; F23-L32 HydrophobicContact CE1-CD2 4.16Å; F23-L32 HydrophobicContact CG-CD1 4.29Å; F23-L32 HydrophobicContact CG-CD2 4.28Å; N30-L32 HydrophobicContact CB-CD1 3.81Å; L32-V39 HydrophobicContact CB-CG1 4.19Å; L32-V39 HydrophobicContact CD2-CG1 4.42Å; L32-V39 HydrophobicContact CG-CG1 4.3Å; L32-E40 WeakPolarHBondContact CA-O 3.34Å; L32-V41 HydrophobicContact CD1-CG1 4.22Å; L32-V41 HydrophobicContact CG-CG2 4.38Å; L32-L66 HydrophobicContact CD1-CD1 4.29Å; L32-L66 HydrophobicContact CD2-CD1 4.31Å; L32-L66 HydrophobicContact CD2-CD2 3.95Å; L32-L66 HydrophobicContact CD2-CG 4.3Å; L32-L77 HydrophobicContact CD2-CB 4.47Å; L32-L77 HydrophobicContact CD2-CD1 3.93Å; L32-L77 HydrophobicContact CD2-CD2 3.96Å; L32-L77 HydrophobicContact CD2-CG 4.34Å
33I97.2Very high95Very high4 Ų421.6 Ų21.62%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-114.9114.4-179.5-50-175.5000108.4V15 T18 L31 K35 V39 E40 F42 F346V15-I33 HydrophobicContact CB-CG2 4.2Å; V15-I33 HydrophobicContact CG1-CG2 3.59Å; V15-I33 HydrophobicContact CG2-CG2 3.6Å; T18-I33 HydrophobicContact CG2-CG1 4.41Å; T18-I33 HydrophobicContact CG2-CG2 4.37Å; L31-I33 HydrophobicContact CD1-CG1 4.43Å; L31-I33 HydrophobicContact CD2-CD1 4.01Å; L31-I33 HydrophobicContact CD2-CG1 4.12Å; L31-I33 HydrophobicContact CG-CD1 4.35Å; L31-I33 HydrophobicContact CG-CG1 3.91Å; I33-K35 HydrophobicContact CG2-CG 4.2Å; I33-V39 CarbonylContact O-C 3.52Å; I33-V39 WeakPolarHBondContact O-CA 3.25Å; I33-E40 HydrophobicContact CB-CB 4.3Å; I33-E40 PolarHBondContact N-O 2.76Å; I33-E40 PolarHBondContact O-N 3.44Å; I33-F42 HydrophobicContact CD1-CD2 3.93Å; I33-F42 HydrophobicContact CD1-CE2 3.59Å; I33-F42 HydrophobicContact CD1-CZ 4.45Å; I33-F42 HydrophobicContact CG1-CD2 4.16Å; I33-F42 HydrophobicContact CG1-CE2 4.13Å; I33-F346 HydrophobicContact CD1-CD2 4.41Å; I33-F346 HydrophobicContact CD1-CE1 4.07Å; I33-F346 HydrophobicContact CD1-CE2 3.71Å; I33-F346 HydrophobicContact CD1-CZ 3.53Å; I33-F346 HydrophobicContact CG1-CZ 4.47Å
34C95.7Very high94.9Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-92.8118.3178.9-59.70000110.1V16 K17 I61 A64V16-C34 PolarHBondContact N-O 2.81Å; K17-C34 HydrophobicContact CB-CB 4.15Å; K17-C34 PolarHBondContact N-O 3.38Å; K17-C34 WeakPolarHBondContact O-CB 3.37Å; K17-C34 PolarHBondContact O-N 3.46Å; C34-I61 HydrophobicContact CB-CD1 4.48Å; C34-A64 VanDerWaalsContact SG-CB 3.54Å
35K95.3Very high94.8Very high26 Ų2625.3 Ų25.311%0.11314%0.139CC..EExtended strand (participates in β ladder)trans-122.488.8-178.9-70.4179.6174.3166.20110V15 I33 T37 Y38 E40V15-K35 HydrophobicContact CG2-CG 4.32Å; I33-K35 HydrophobicContact CG2-CG 4.2Å; K35-T37 VanDerWaalsContact C-N 3.31Å; K35-T37 PolarHBondContact O-N 3.22Å; K35-Y38 HydrophobicContact CB-CD1 4.07Å; K35-Y38 HydrophobicContact CB-CE1 3.58Å; K35-Y38 HydrophobicContact CB-CE2 4.42Å; K35-Y38 HydrophobicContact CD-CE1 4.32Å; K35-Y38 HydrophobicContact CD-CE2 4.21Å; K35-Y38 VanDerWaalsContact CD-OH 3.26Å; K35-Y38 WeakPolarHBondContact CD-OH 3.25Å; K35-Y38 PolarHBondContact N-O 2.84Å; K35-Y38 WeakPolarHBondContact O-CD1 3.47Å; K35-Y38 WeakPolarHBondContact O-CE1 3.03Å; K35-Y38 PolarHBondContact O-N 2.9Å; K35-Y38 VanDerWaalsContact O-N 3.12Å; K35-E40 WeakPolarHBondContact CD-OE1 3.28Å; K35-E40 VanDerWaalsContact CE-OE2 3.24Å; K35-E40 WeakPolarHBondContact CE-OE2 3.45Å; K35-E40 IonicContact NZ-OE1 3.7Å; K35-E40 PolarHBondContact NZ-OE1 3.47Å; K35-E40 IonicContact NZ-OE2 3.91Å; K35-E40 PolarHBondContact NZ-OE2 2.85Å
36N94.1Very high94.3Very high2 Ų231.1 Ų31.11%0.01118%0.178CC..THydrogen-bonded Turntrans48.9-75.8-178.2-171.116.8000115.6P12 K60 I61 G1185 D1186 N1219P12-N36 HydrophobicContact CB-CB 4.02Å; P12-N36 HydrophobicContact CG-CB 4.11Å; N36-K60 VanDerWaalsContact OD1-CG 3.27Å; N36-K60 WeakPolarHBondContact OD1-CG 3.46Å; N36-I61 WeakPolarHBondContact O-CB 3.43Å; N36-I61 WeakPolarHBondContact O-CG1 3.38Å; N36-I61 PolarHBondContact O-N 2.81Å; N36-G1185 PolarHBondContact ND2-O 3.26Å; N36-G1185 VanDerWaalsContact ND2-O 3.08Å; N36-D1186 PolarHBondContact ND2-OD2 3.15Å; N36-N1219 HydrophobicContact CB-CB 4.3Å
37T94Very high93.6Very high32 Ų3237.4 Ų37.420%0.19620%0.204CC..THydrogen-bonded Turntrans-110.35.1-174.855.20000114.2K35 I57 W1258K35-T37 VanDerWaalsContact C-N 3.31Å; K35-T37 PolarHBondContact O-N 3.22Å; T37-I57 CarbonylContact O-C 3.58Å; T37-I57 WeakPolarHBondContact O-CA 3.44Å; T37-I57 PolarHBondContact O-N 3.4Å; T37-W1258 HydrophobicContact CG2-CH2 4Å; T37-W1258 HydrophobicContact CG2-CZ2 3.67Å
38Y94.5Very high93.1Very high11 Ų1131.6 Ų31.64%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-149.1164176.969.6-72.2000112.8R11 P12 K35 E40 D54 V55R11-Y38 HydrophobicContact CB-CE1 3.98Å; P12-Y38 HydrophobicContact CB-CE1 4.43Å; P12-Y38 WeakPolarHBondContact O-CE1 3.41Å; P12-Y38 PolarHBondContact O-OH 2.89Å; K35-Y38 HydrophobicContact CB-CD1 4.07Å; K35-Y38 HydrophobicContact CB-CE1 3.58Å; K35-Y38 HydrophobicContact CB-CE2 4.42Å; K35-Y38 HydrophobicContact CD-CE1 4.32Å; K35-Y38 HydrophobicContact CD-CE2 4.21Å; K35-Y38 VanDerWaalsContact CD-OH 3.26Å; K35-Y38 WeakPolarHBondContact CD-OH 3.25Å; K35-Y38 PolarHBondContact N-O 2.84Å; K35-Y38 WeakPolarHBondContact O-CD1 3.47Å; K35-Y38 WeakPolarHBondContact O-CE1 3.03Å; K35-Y38 PolarHBondContact O-N 2.9Å; K35-Y38 VanDerWaalsContact O-N 3.12Å; Y38-E40 HydrophobicContact CD2-CG 3.92Å; Y38-E40 HydrophobicContact CE2-CG 3.52Å; Y38-E40 WeakPolarHBondContact CE2-OE1 3.3Å; Y38-E40 PolarHBondContact OH-OE1 2.95Å; Y38-D54 HydrophobicContact CD2-CB 4.41Å; Y38-V55 WeakPolarHBondContact CA-O 3.5Å; Y38-V55 WeakPolarHBondContact CB-O 3.48Å
39V95.9Very high93Very high2 Ų231.7 Ų31.71%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-121.6123.4176.5-174.70000109L32 I33 V41 V55 I57 I61 L77L32-V39 HydrophobicContact CB-CG1 4.19Å; L32-V39 HydrophobicContact CD2-CG1 4.42Å; L32-V39 HydrophobicContact CG-CG1 4.3Å; I33-V39 CarbonylContact O-C 3.52Å; I33-V39 WeakPolarHBondContact O-CA 3.25Å; V39-V41 HydrophobicContact CG1-CG2 4.41Å; V39-V55 PolarHBondContact N-O 3.45Å; V39-V55 PolarHBondContact O-N 3.22Å; V39-I57 HydrophobicContact CG2-CG1 4.35Å; V39-I61 HydrophobicContact CG2-CD1 3.69Å; V39-L77 HydrophobicContact CG1-CD2 4.42Å; V39-L77 HydrophobicContact CG2-CD2 4.42Å
40E95.4Very high92.5Very high17 Ų1734.9 Ų34.98%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-90.9127.5170.8-55.2173.8160.900108.4L32 I33 K35 Y38 F42 L51L32-E40 WeakPolarHBondContact CA-O 3.34Å; I33-E40 HydrophobicContact CB-CB 4.3Å; I33-E40 PolarHBondContact N-O 2.76Å; I33-E40 PolarHBondContact O-N 3.44Å; K35-E40 WeakPolarHBondContact CD-OE1 3.28Å; K35-E40 VanDerWaalsContact CE-OE2 3.24Å; K35-E40 WeakPolarHBondContact CE-OE2 3.45Å; K35-E40 IonicContact NZ-OE1 3.7Å; K35-E40 PolarHBondContact NZ-OE1 3.47Å; K35-E40 IonicContact NZ-OE2 3.91Å; K35-E40 PolarHBondContact NZ-OE2 2.85Å; Y38-E40 HydrophobicContact CD2-CG 3.92Å; Y38-E40 HydrophobicContact CE2-CG 3.52Å; Y38-E40 WeakPolarHBondContact CE2-OE1 3.3Å; Y38-E40 PolarHBondContact OH-OE1 2.95Å; E40-F42 HydrophobicContact CB-CD2 4.22Å; E40-F42 HydrophobicContact CB-CE2 3.56Å; E40-F42 HydrophobicContact CB-CZ 4.4Å; E40-L51 HydrophobicContact CB-CD1 4.22Å
41V96Very high92.1Very high1 Ų139 Ų391%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-109.5113.9-178.1-175.10000108.9F23 T24 L32 V39 V52 R53 V55 F100F23-V41 HydrophobicContact CD1-CG1 4.08Å; F23-V41 HydrophobicContact CE1-CG2 4.37Å; T24-V41 HydrophobicContact CG2-CG1 4.14Å; L32-V41 HydrophobicContact CD1-CG1 4.22Å; L32-V41 HydrophobicContact CG-CG2 4.38Å; V39-V41 HydrophobicContact CG1-CG2 4.41Å; V41-V52 HydrophobicContact CG1-CB 4.46Å; V41-V52 WeakPolarHBondContact O-CA 3.44Å; V41-V52 VanDerWaalsContact O-CB 3.31Å; V41-V52 WeakPolarHBondContact O-CB 3.36Å; V41-V52 PolarHBondContact O-N 3.23Å; V41-R53 PolarHBondContact N-O 2.91Å; V41-R53 PolarHBondContact O-N 3.43Å; V41-V55 HydrophobicContact CG2-CG2 4.15Å; V41-F100 HydrophobicContact CB-CZ 4.43Å; V41-F100 HydrophobicContact CG2-CE1 3.99Å; V41-F100 HydrophobicContact CG2-CZ 4.12Å
42F95.1Very high91.7Very high21 Ų2140.9 Ų40.99%0.09222%0.224CC..EExtended strand (participates in β ladder)trans-107.3147.5177.6-66.6-96.6000111.8N30 L31 I33 E40 L49 K50 L51N30-F42 WeakPolarHBondContact CA-O 3.46Å; N30-F42 WeakPolarHBondContact CB-O 3.46Å; N30-F42 PolarHBondContact ND2-O 3.24Å; N30-F42 VanDerWaalsContact ND2-O 3.13Å; L31-F42 HydrophobicContact CB-CB 4.32Å; L31-F42 PolarHBondContact N-O 2.99Å; L31-F42 VanDerWaalsContact N-O 3.1Å; L31-F42 PolarHBondContact O-N 2.78Å; I33-F42 HydrophobicContact CD1-CD2 3.93Å; I33-F42 HydrophobicContact CD1-CE2 3.59Å; I33-F42 HydrophobicContact CD1-CZ 4.45Å; I33-F42 HydrophobicContact CG1-CD2 4.16Å; I33-F42 HydrophobicContact CG1-CE2 4.13Å; E40-F42 HydrophobicContact CB-CD2 4.22Å; E40-F42 HydrophobicContact CB-CE2 3.56Å; E40-F42 HydrophobicContact CB-CZ 4.4Å; F42-L49 HydrophobicContact CB-CB 4.47Å; F42-L49 HydrophobicContact CB-CD2 4.29Å; F42-L49 HydrophobicContact CD1-CB 3.76Å; F42-L49 HydrophobicContact CE1-CB 4.34Å; F42-L49 HydrophobicContact CG-CB 4.35Å; F42-K50 CarbonylContact C-O 3.57Å; F42-K50 WeakPolarHBondContact CA-O 3.34Å; F42-L51 HydrophobicContact CD1-CB 4.01Å; F42-L51 HydrophobicContact CD1-CD1 4.25Å; F42-L51 HydrophobicContact CD2-CD1 4.3Å; F42-L51 HydrophobicContact CE1-CB 3.75Å; F42-L51 HydrophobicContact CE1-CD1 3.94Å; F42-L51 HydrophobicContact CE1-CG 4.41Å; F42-L51 HydrophobicContact CE2-CD1 3.97Å; F42-L51 HydrophobicContact CG-CD1 4.43Å; F42-L51 HydrophobicContact CZ-CB 4.4Å; F42-L51 HydrophobicContact CZ-CD1 3.79Å
43E94.4Very high91.2Very high38 Ų3846.9 Ų46.918%0.17825%0.247CC..EExtended strand (participates in β ladder)trans-97.3125.8165-175.7-179.1-168.900107.5T45 K50 V52E43-T45 HydrophobicContact CG-CG2 4.17Å; E43-K50 HydrophobicContact CB-CB 4.41Å; E43-K50 PolarHBondContact N-O 2.96Å; E43-K50 PolarHBondContact O-N 2.92Å; E43-K50 WeakPolarHBondContact OE2-CD 3.49Å; E43-K50 WeakPolarHBondContact OE2-CE 3.27Å; E43-K50 IonicContact OE2-NZ 3.89Å; E43-K50 PolarHBondContact OE2-NZ 2.87Å; E43-V52 HydrophobicContact CB-CG2 3.81Å
44V94.7Very high90.8Very high39 Ų3948.7 Ų48.724%0.23626%0.256CS..EExtended strand (participates in β ladder)trans-82.9117.4178.4-176.20000108.3L29 L31 L49 L340L29-V44 HydrophobicContact CB-CB 4.23Å; L29-V44 HydrophobicContact CB-CG2 4.46Å; L29-V44 HydrophobicContact CD2-CB 4.18Å; L29-V44 HydrophobicContact CD2-CG1 4.28Å; L29-V44 HydrophobicContact CD2-CG2 4.19Å; L29-V44 HydrophobicContact CG-CB 4.17Å; L29-V44 HydrophobicContact CG-CG2 3.97Å; L29-V44 WeakPolarHBondContact O-CB 3.47Å; L29-V44 WeakPolarHBondContact O-CG2 3.19Å; L29-V44 PolarHBondContact O-N 3.41Å; L31-V44 HydrophobicContact CB-CG2 4.39Å; V44-L49 HydrophobicContact CG2-CD2 3.9Å; V44-L340 HydrophobicContact CG1-CB 4.31Å; V44-L340 HydrophobicContact CG1-CD1 4.21Å; V44-L340 HydrophobicContact CG2-CD1 4.14Å; V44-L340 HydrophobicContact CG2-CD2 4.18Å
45T90.2Very high90.6Very high51 Ų5149 Ų4931%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-122.2167.2-176.375.10000111.5E43 E47 G48 K50E43-T45 HydrophobicContact CG-CG2 4.17Å; T45-E47 PolarHBondContact O-N 2.85Å; T45-E47 PolarHBondContact OG1-N 2.68Å; T45-G48 PolarHBondContact N-O 2.87Å; T45-G48 PolarHBondContact O-N 2.79Å; T45-G48 PolarHBondContact OG1-N 2.93Å; T45-G48 PolarHBondContact OG1-O 3.46Å; T45-K50 HydrophobicContact CG2-CB 3.98Å; T45-K50 HydrophobicContact CG2-CD 4.36Å
46C82Confident90.4Very high144 Ų14452 Ų5297%0.97328%0.28SS*.THydrogen-bonded Turntrans-63.5-22.1175.5-54.90000113.8
47E78.2Confident90.4Very high181 Ų18152 Ų5285%0.84628%0.28SS*.THydrogen-bonded Turntrans-90.2-14.6178.4-63-173.4162.400112.5T45T45-E47 PolarHBondContact O-N 2.85Å; T45-E47 PolarHBondContact OG1-N 2.68Å
48G82.2Confident90.3Very high26 Ų2652.4 Ų52.427%0.26828%0.281SS..EExtended strand (participates in β ladder)trans138.8-157.1-17600000113T45T45-G48 PolarHBondContact N-O 2.87Å; T45-G48 PolarHBondContact O-N 2.79Å; T45-G48 PolarHBondContact OG1-N 2.93Å; T45-G48 PolarHBondContact OG1-O 3.46Å
49L89.1Confident90.2Very high28 Ų2852.1 Ų52.115%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-87.6119.9177.1-68.9179.1000111L31 F42 V44 L340 F346 L356L31-L49 HydrophobicContact CB-CD2 4.36Å; L31-L49 HydrophobicContact CD2-CD1 3.65Å; L31-L49 HydrophobicContact CD2-CD2 4.07Å; F42-L49 HydrophobicContact CB-CB 4.47Å; F42-L49 HydrophobicContact CB-CD2 4.29Å; F42-L49 HydrophobicContact CD1-CB 3.76Å; F42-L49 HydrophobicContact CE1-CB 4.34Å; F42-L49 HydrophobicContact CG-CB 4.35Å; V44-L49 HydrophobicContact CG2-CD2 3.9Å; L49-L340 HydrophobicContact CD2-CD1 3.91Å; L49-F346 HydrophobicContact CD1-CD2 4.04Å; L49-L356 HydrophobicContact CD1-CD1 3.96Å; L49-L356 HydrophobicContact CD1-CD2 4.29Å; L49-L356 HydrophobicContact CG-CD1 4.33Å; L49-L356 HydrophobicContact CG-CD2 4.17Å
50K86.8Confident90.1Very high109 Ų10954.1 Ų54.147%0.47429%0.29SS..EExtended strand (participates in β ladder)trans-102.8114.2177.3175.5-175161.7-148.20109.7F42 E43 T45 V52F42-K50 CarbonylContact C-O 3.57Å; F42-K50 WeakPolarHBondContact CA-O 3.34Å; E43-K50 HydrophobicContact CB-CB 4.41Å; E43-K50 PolarHBondContact N-O 2.96Å; E43-K50 PolarHBondContact O-N 2.92Å; E43-K50 WeakPolarHBondContact OE2-CD 3.49Å; E43-K50 WeakPolarHBondContact OE2-CE 3.27Å; E43-K50 IonicContact OE2-NZ 3.89Å; E43-K50 PolarHBondContact OE2-NZ 2.87Å; T45-K50 HydrophobicContact CG2-CB 3.98Å; T45-K50 HydrophobicContact CG2-CD 4.36Å; K50-V52 PolarHBondContact O-N 2.74Å
51L88Confident90Very high86 Ų8653.6 Ų53.645%0.4529%0.287SS..EExtended strand (participates in β ladder)trans-65.1123.4176.7-177.163.9000110.4E40 F42E40-L51 HydrophobicContact CB-CD1 4.22Å; F42-L51 HydrophobicContact CD1-CB 4.01Å; F42-L51 HydrophobicContact CD1-CD1 4.25Å; F42-L51 HydrophobicContact CD2-CD1 4.3Å; F42-L51 HydrophobicContact CE1-CB 3.75Å; F42-L51 HydrophobicContact CE1-CD1 3.94Å; F42-L51 HydrophobicContact CE1-CG 4.41Å; F42-L51 HydrophobicContact CE2-CD1 3.97Å; F42-L51 HydrophobicContact CG-CD1 4.43Å; F42-L51 HydrophobicContact CZ-CB 4.4Å; F42-L51 HydrophobicContact CZ-CD1 3.79Å
52V89Confident89.8Confident40 Ų4055.1 Ų55.124%0.24230%0.296CS..EExtended strand (participates in β ladder)trans-89-50.8174.6-177.50000109.8T24 V41 E43 K50 V98T24-V52 HydrophobicContact CG2-CG1 4.45Å; V41-V52 HydrophobicContact CG1-CB 4.46Å; V41-V52 WeakPolarHBondContact O-CA 3.44Å; V41-V52 VanDerWaalsContact O-CB 3.31Å; V41-V52 WeakPolarHBondContact O-CB 3.36Å; V41-V52 PolarHBondContact O-N 3.23Å; E43-V52 HydrophobicContact CB-CG2 3.81Å; K50-V52 PolarHBondContact O-N 2.74Å; V52-V98 HydrophobicContact CG1-CB 4.38Å; V52-V98 HydrophobicContact CG1-CG1 4.13Å; V52-V98 HydrophobicContact CG1-CG2 4.1Å
53R86.7Confident89.7Confident127 Ų12754.8 Ų54.848%0.47930%0.298SS..EExtended strand (participates in β ladder)trans-166.5148.5179.6-162.2116.2-178.7-178.9-0.8112.1V41 F100V41-R53 PolarHBondContact N-O 2.91Å; V41-R53 PolarHBondContact O-N 3.43Å; R53-F100 HydrophobicContact CB-CE2 3.51Å; R53-F100 HydrophobicContact CB-CZ 3.88Å; R53-F100 HydrophobicContact CG-CD2 4.44Å; R53-F100 HydrophobicContact CG-CE2 3.71Å
54D88.8Confident89.7Confident41 Ų4153.3 Ų53.322%0.21929%0.292CS..EExtended strand (participates in β ladder)trans-88.9133.6157.5-59.2-11.2000109.7R11 Y38R11-D54 IonicContact CZ-OD2 3.54Å; R11-D54 IonicContact NH1-OD2 2.67Å; R11-D54 PolarHBondContact NH1-OD2 2.63Å; R11-D54 IonicContact NH2-OD2 3.78Å; R11-D54 PolarHBondContact NH2-OD2 3.04Å; Y38-D54 HydrophobicContact CD2-CB 4.41Å
55V91.7Very high89.6Confident8 Ų853.1 Ų53.15%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-116.7101.7-178.9-1740000108.8Y38 V39 V41 I57 F100 V1250Y38-V55 WeakPolarHBondContact CA-O 3.5Å; Y38-V55 WeakPolarHBondContact CB-O 3.48Å; V39-V55 PolarHBondContact N-O 3.45Å; V39-V55 PolarHBondContact O-N 3.22Å; V41-V55 HydrophobicContact CG2-CG2 4.15Å; V55-I57 HydrophobicContact CG1-CD1 4.12Å; V55-F100 HydrophobicContact CG1-CB 4.32Å; V55-F100 HydrophobicContact CG1-CG 4.42Å; V55-F100 HydrophobicContact CG2-CB 4.47Å; V55-F100 HydrophobicContact CG2-CD1 4.03Å; V55-F100 HydrophobicContact CG2-CD2 3.52Å; V55-F100 HydrophobicContact CG2-CE1 4.14Å; V55-F100 HydrophobicContact CG2-CE2 3.66Å; V55-F100 HydrophobicContact CG2-CG 3.71Å; V55-F100 HydrophobicContact CG2-CZ 3.96Å; V55-V1250 HydrophobicContact CG1-CB 3.94Å; V55-V1250 HydrophobicContact CG1-CG1 3.74Å; V55-V1250 HydrophobicContact CG1-CG2 4.05Å
56P91.6Very high89.9Confident88 Ų8852 Ų5257%0.57128%0.284SS*.EExtended strand (participates in β ladder)trans-69.5135.3176.428.8-33.5000110.5
57I93.1Very high90.5Very high3 Ų345.9 Ų45.92%0.01524%0.241CC..  trans-117123.9176.9-54.6-60.6000107.4T37 V39 V55 A59 I61 L79 I89 V1250 F1253T37-I57 CarbonylContact O-C 3.58Å; T37-I57 WeakPolarHBondContact O-CA 3.44Å; T37-I57 PolarHBondContact O-N 3.4Å; V39-I57 HydrophobicContact CG2-CG1 4.35Å; V55-I57 HydrophobicContact CG1-CD1 4.12Å; I57-A59 HydrophobicContact CG2-CB 4.1Å; I57-A59 PolarHBondContact O-N 2.94Å; I57-I61 HydrophobicContact CB-CD1 4.45Å; I57-I61 HydrophobicContact CG1-CD1 4.12Å; I57-I61 HydrophobicContact CG2-CG1 4.45Å; I57-L79 HydrophobicContact CD1-CD1 3.9Å; I57-L79 HydrophobicContact CG1-CD1 4.05Å; I57-L79 HydrophobicContact CG2-CD1 4.33Å; I57-I89 HydrophobicContact CD1-CD1 3.93Å; I57-V1250 HydrophobicContact CD1-CB 4.24Å; I57-V1250 HydrophobicContact CD1-CG1 4.13Å; I57-F1253 HydrophobicContact CG2-CD2 3.92Å; I57-F1253 HydrophobicContact CG2-CE2 4.04Å
58N92.5Very high91.2Very high40 Ų4042.2 Ų42.221%0.21422%0.22CC..SBendtrans-7547.6175.9-77-6.1000111.8P1249 F1253 W1258N58-P1249 HydrophobicContact CB-CB 4.41Å; N58-P1249 WeakPolarHBondContact ND2-CB 3.48Å; N58-F1253 HydrophobicContact CB-CB 4.12Å; N58-F1253 VanDerWaalsContact CB-O 3.26Å; N58-F1253 WeakPolarHBondContact CB-O 3.28Å; N58-F1253 PolarHBondContact ND2-O 3.39Å; N58-F1253 WeakPolarHBondContact O-CB 3.47Å; N58-W1258 VanDerWaalsContact C-CD2 3.46Å; N58-W1258 HydrophobicContact CB-CB 3.98Å; N58-W1258 HydrophobicContact CB-CG 3.94Å; N58-W1258 VanDerWaalsContact O-CB 3.26Å; N58-W1258 WeakPolarHBondContact O-CB 3.44Å; N58-W1258 VanDerWaalsContact O-CD2 3.32Å
59A93.2Very high91.5Very high5 Ų541.9 Ų41.94%0.04121%0.21CC..SBendtrans-165.7147178.300000111.3I57 I61 T81 F1253 W1258I57-A59 HydrophobicContact CG2-CB 4.1Å; I57-A59 PolarHBondContact O-N 2.94Å; A59-I61 PolarHBondContact O-N 3.32Å; A59-T81 HydrophobicContact CB-CG2 3.43Å; A59-T81 VanDerWaalsContact CB-CG2 3.43Å; A59-F1253 HydrophobicContact CB-CD2 3.85Å; A59-F1253 HydrophobicContact CB-CE2 4.2Å; A59-F1253 HydrophobicContact CB-CG 4.23Å; A59-W1258 VanDerWaalsContact CA-CZ3 3.49Å
60K93.4Very high91.3Very high44 Ų4447.3 Ų47.319%0.19123%0.233CC..  trans-68.2111.5165170.8164.3-171.1-178.40109.8N36 V62 T81 H82 W1258N36-K60 VanDerWaalsContact OD1-CG 3.27Å; N36-K60 WeakPolarHBondContact OD1-CG 3.46Å; K60-V62 HydrophobicContact CG-CG1 4.44Å; K60-T81 CarbonylContact O-C 3.41Å; K60-T81 WeakPolarHBondContact O-CA 3.39Å; K60-T81 WeakPolarHBondContact O-CB 3.16Å; K60-H82 HydrophobicContact CB-CB 4.07Å; K60-H82 HydrophobicContact CD-CB 4.21Å; K60-H82 HydrophobicContact CG-CB 4.01Å; K60-H82 PolarHBondContact O-N 3.25Å; K60-W1258 HydrophobicContact CB-CH2 4.14Å; K60-W1258 HydrophobicContact CB-CZ3 4.38Å; K60-W1258 VanDerWaalsContact N-CH2 3.27Å; K60-W1258 VanDerWaalsContact N-CZ3 3.33Å
61I93.9Very high91.2Very high6 Ų646.5 Ų46.53%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-70.9127.6174.2-54.8167.3000107.9C34 N36 V39 I57 A59 A64 L79C34-I61 HydrophobicContact CB-CD1 4.48Å; N36-I61 WeakPolarHBondContact O-CB 3.43Å; N36-I61 WeakPolarHBondContact O-CG1 3.38Å; N36-I61 PolarHBondContact O-N 2.81Å; V39-I61 HydrophobicContact CG2-CD1 3.69Å; I57-I61 HydrophobicContact CB-CD1 4.45Å; I57-I61 HydrophobicContact CG1-CD1 4.12Å; I57-I61 HydrophobicContact CG2-CG1 4.45Å; A59-I61 PolarHBondContact O-N 3.32Å; I61-A64 HydrophobicContact CG2-CB 4.33Å; I61-L79 HydrophobicContact CG2-CD2 4.16Å
62V91.5Very high91.1Very high32 Ų3245.7 Ų45.719%0.19423%0.225CC..EExtended strand (participates in β ladder)trans-112.1-26.6174.4-64.10000112.6K60 L80 H82 F120K60-V62 HydrophobicContact CG-CG1 4.44Å; V62-L80 HydrophobicContact CG2-CB 4.27Å; V62-L80 HydrophobicContact CG2-CD2 3.95Å; V62-L80 HydrophobicContact CG2-CG 3.75Å; V62-L80 WeakPolarHBondContact CG2-O 3.41Å; V62-L80 PolarHBondContact N-O 3.16Å; V62-H82 HydrophobicContact CG1-CB 3.81Å; V62-F120 HydrophobicContact CB-CD2 3.86Å; V62-F120 HydrophobicContact CB-CE2 4.46Å; V62-F120 HydrophobicContact CB-CG 4.44Å; V62-F120 HydrophobicContact CG1-CD2 4.17Å; V62-F120 HydrophobicContact CG1-CE2 4.28Å; V62-F120 HydrophobicContact CG2-CB 4.37Å; V62-F120 HydrophobicContact CG2-CD2 4.2Å; V62-F120 HydrophobicContact CG2-CG 4.35Å
63A92.3Very high91.2Very high14 Ų1450.9 Ų50.912%0.11625%0.246CC..EExtended strand (participates in β ladder)trans-148.4146.8170.300000110.3L80 V122A63-L80 HydrophobicContact CB-CB 4.25Å; A63-L80 HydrophobicContact CB-CD2 4.45Å; A63-L80 PolarHBondContact N-O 3.29Å; A63-L80 PolarHBondContact O-N 2.92Å; A63-V122 HydrophobicContact CB-CB 4.16Å; A63-V122 HydrophobicContact CB-CG2 3.57Å
64A94.1Very high91.6Very high8 Ų846.1 Ų46.17%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-140144177.500000109.2C34 I61 L77 F78 L79C34-A64 VanDerWaalsContact SG-CB 3.54Å; I61-A64 HydrophobicContact CG2-CB 4.33Å; A64-L77 HydrophobicContact CB-CD1 4.34Å; A64-F78 WeakPolarHBondContact CA-O 3.4Å; A64-L79 HydrophobicContact CB-CD2 3.68Å
65S94.4Very high91.9Very high34 Ų3445 Ų4524%0.23823%0.225CC..EExtended strand (participates in β ladder)trans-153.5139.2177.7-171.60000111F78S65-F78 PolarHBondContact N-O 3.44Å; S65-F78 PolarHBondContact O-N 3.26Å
66L95.2Very high92Very high27 Ų2744.6 Ų44.614%0.14122%0.223CC..EExtended strand (participates in β ladder)trans-90.2140.1171.2-76.8171.8000110.2C19 F23 L32 D75 S76 L77C19-L66 HydrophobicContact CB-CD1 3.9Å; C19-L66 HydrophobicContact CB-CG 4.03Å; F23-L66 HydrophobicContact CB-CD2 4.39Å; F23-L66 HydrophobicContact CD2-CD2 3.85Å; F23-L66 HydrophobicContact CE2-CD2 4.45Å; F23-L66 HydrophobicContact CG-CD2 4.28Å; L32-L66 HydrophobicContact CD1-CD1 4.29Å; L32-L66 HydrophobicContact CD2-CD1 4.31Å; L32-L66 HydrophobicContact CD2-CD2 3.95Å; L32-L66 HydrophobicContact CD2-CG 4.3Å; L66-D75 HydrophobicContact CD2-CB 4.22Å; L66-S76 WeakPolarHBondContact CA-O 3.17Å; L66-L77 HydrophobicContact CD2-CB 4.13Å; L66-L77 HydrophobicContact CD2-CD1 4.33Å
67F94.6Very high92.2Very high16 Ų1640.6 Ų40.67%0.0720%0.196CC..EExtended strand (participates in β ladder)trans-150.1148.3174.373.8-73000111.3R69 S76 F78 I88 I124 A128 L145F67-R69 HydrophobicContact CD2-CG 4.5Å; F67-R69 HydrophobicContact CE2-CG 3.69Å; F67-R69 HydrophobicContact CZ-CG 4.1Å; F67-S76 VanDerWaalsContact CD1-O 3.29Å; F67-S76 WeakPolarHBondContact CD1-O 3.35Å; F67-S76 PolarHBondContact N-O 3.16Å; F67-S76 PolarHBondContact O-N 3.23Å; F67-F78 HydrophobicContact CD1-CB 4.28Å; F67-F78 HydrophobicContact CE1-CB 4.03Å; F67-I88 HydrophobicContact CE1-CG2 4.2Å; F67-I88 HydrophobicContact CZ-CD1 4.09Å; F67-I88 HydrophobicContact CZ-CG2 4.14Å; F67-I124 HydrophobicContact CB-CB 4.37Å; F67-I124 HydrophobicContact CB-CD1 3.91Å; F67-I124 HydrophobicContact CB-CG2 3.69Å; F67-I124 HydrophobicContact CD1-CD1 3.58Å; F67-I124 HydrophobicContact CD2-CG2 4.07Å; F67-I124 HydrophobicContact CE1-CD1 4.37Å; F67-I124 HydrophobicContact CG-CD1 3.86Å; F67-I124 HydrophobicContact CG-CG2 3.87Å; F67-A128 HydrophobicContact CD2-CB 4.2Å; F67-L145 HydrophobicContact CD2-CD1 4.17Å; F67-L145 HydrophobicContact CE2-CD1 3.81Å; F67-L145 HydrophobicContact CE2-CD2 4.05Å; F67-L145 HydrophobicContact CZ-CD2 4.11Å
68R93.3Very high92.4Very high105 Ų10540.6 Ų40.640%0.39620%0.196SC..EExtended strand (participates in β ladder)trans-90.5122.6174.2-163.2158.2-58.3-176.57.3111H22 R72 E73 D75 A128H22-R68 PolarHBondContact CD2-NH2 2.66Å; H22-R68 VanDerWaalsContact CD2-NH2 3.34Å; R68-R72 WeakPolarHBondContact CG-O 3.36Å; R68-E73 PolarHBondContact NE-O 3.46Å; R68-E73 PolarHBondContact NH1-O 3.44Å; R68-D75 WeakPolarHBondContact CB-OD1 3.39Å; R68-D75 IonicContact CZ-OD1 2.75Å; R68-D75 VanDerWaalsContact CZ-OD1 3.23Å; R68-D75 IonicContact NE-OD1 2.75Å; R68-D75 PolarHBondContact NE-OD1 3.01Å; R68-D75 IonicContact NH2-OD1 3.62Å; R68-D75 PolarHBondContact NH2-OD1 2.85Å; R68-D75 IonicContact NH2-OD2 2.75Å; R68-D75 PolarHBondContact NH2-OD2 2.88Å; R68-A128 VanDerWaalsContact O-CB 3.24Å; R68-A128 WeakPolarHBondContact O-CB 3.46Å
69R88.8Confident92.5Very high19 Ų1938.7 Ų38.77%0.07219%0.186CC..  trans-72.5151.5169.3-60.7164.946.41446.9110.3F67 D71 R72 S76 E90 I148F67-R69 HydrophobicContact CD2-CG 4.5Å; F67-R69 HydrophobicContact CE2-CG 3.69Å; F67-R69 HydrophobicContact CZ-CG 4.1Å; R69-D71 WeakPolarHBondContact CB-OD1 3.38Å; R69-D71 IonicContact CZ-OD1 3.62Å; R69-D71 IonicContact CZ-OD2 3.39Å; R69-D71 IonicContact NE-OD1 3.64Å; R69-D71 PolarHBondContact NE-OD1 2.94Å; R69-D71 IonicContact NE-OD2 3.78Å; R69-D71 IonicContact NH2-OD1 2.77Å; R69-D71 PolarHBondContact NH2-OD1 3.2Å; R69-D71 IonicContact NH2-OD2 3.96Å; R69-D71 PolarHBondContact NH2-OD2 2.95Å; R69-D71 PolarHBondContact O-N 2.82Å; R69-D71 VanDerWaalsContact O-N 3.15Å; R69-R72 HydrophobicContact CB-CB 4.19Å; R69-R72 HydrophobicContact CB-CG 3.99Å; R69-R72 HydrophobicContact CG-CG 4.49Å; R69-R72 PolarHBondContact O-N 3.24Å; R69-S76 VanDerWaalsContact CD-OG 3.3Å; R69-S76 WeakPolarHBondContact CD-OG 3.43Å; R69-E90 WeakPolarHBondContact CD-OE1 2.93Å; R69-E90 IonicContact CZ-OE1 2.85Å; R69-E90 IonicContact NE-OE1 3.8Å; R69-E90 IonicContact NH1-OE1 2.81Å; R69-E90 PolarHBondContact NH1-OE1 3.01Å; R69-I148 PolarHBondContact NH2-O 3.29Å
70K84.8Confident92.6Very high142 Ų14238.5 Ų38.562%0.61718%0.184SC*.THydrogen-bonded Turntrans-64.4-20.4-177.6-60.8-174.1-175.5-179.20114.8G127 N129K70-G127 WeakPolarHBondContact CE-O 3.45Å; K70-N129 PolarHBondContact NZ-OD1 2.94Å
71D83.6Confident92.5Very high91 Ų9136.5 Ų36.549%0.48718%0.176SC..THydrogen-bonded Turntrans-104.74.9-177.364.7-45.6000113.1R69R69-D71 WeakPolarHBondContact CB-OD1 3.38Å; R69-D71 IonicContact CZ-OD1 3.62Å; R69-D71 IonicContact CZ-OD2 3.39Å; R69-D71 IonicContact NE-OD1 3.64Å; R69-D71 PolarHBondContact NE-OD1 2.94Å; R69-D71 IonicContact NE-OD2 3.78Å; R69-D71 IonicContact NH2-OD1 2.77Å; R69-D71 PolarHBondContact NH2-OD1 3.2Å; R69-D71 IonicContact NH2-OD2 3.96Å; R69-D71 PolarHBondContact NH2-OD2 2.95Å; R69-D71 PolarHBondContact O-N 2.82Å; R69-D71 VanDerWaalsContact O-N 3.15Å
72R87.4Confident92.2Very high70 Ų7038.8 Ų38.826%0.26419%0.186SC..  trans-124.1145.3-178.3-61.8-54.3-147.3-178.811111.8R68 R69 T74 E90 I152R68-R72 WeakPolarHBondContact CG-O 3.36Å; R69-R72 HydrophobicContact CB-CB 4.19Å; R69-R72 HydrophobicContact CB-CG 3.99Å; R69-R72 HydrophobicContact CG-CG 4.49Å; R69-R72 PolarHBondContact O-N 3.24Å; R72-T74 WeakPolarHBondContact CB-O 3.41Å; R72-E90 IonicContact CZ-OE2 3.57Å; R72-E90 VanDerWaalsContact CZ-OE2 3.22Å; R72-E90 IonicContact NE-OE1 2.7Å; R72-E90 IonicContact NE-OE2 3.07Å; R72-E90 PolarHBondContact NE-OE2 2.92Å; R72-E90 IonicContact NH2-OE2 2.73Å; R72-E90 PolarHBondContact NH2-OE2 3.46Å; R72-I152 VanDerWaalsContact NH2-CD1 3.32Å
73E90.5Very high91.9Very high149 Ų14939.2 Ų39.270%0.69619%0.185SC*.SBendtrans-89.1-25.1170.9-62.8-171.3163.900112.2P26 R68P26-E73 HydrophobicContact CB-CB 4.24Å; P26-E73 HydrophobicContact CG-CB 3.72Å; R68-E73 PolarHBondContact NE-O 3.46Å; R68-E73 PolarHBondContact NH1-O 3.44Å
74T94.5Very high91.8Very high27 Ų2738.5 Ų38.517%0.16618%0.18CC..SBendtrans-90.9158.617147.90000112.1H22 P26 R72H22-T74 WeakPolarHBondContact O-CA 2.95Å; P26-T74 HydrophobicContact CG-CG2 3.93Å; R72-T74 WeakPolarHBondContact CB-O 3.41Å
75D95.4Very high91.7Very high16 Ų1638.4 Ų38.49%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-79.5156.4174.1-58.8-27.3000111.2H22 F23 L66 R68H22-D75 PolarHBondContact N-OD2 3.43Å; H22-D75 PolarHBondContact O-N 2.95Å; F23-D75 WeakPolarHBondContact CD2-O 3.41Å; L66-D75 HydrophobicContact CD2-CB 4.22Å; R68-D75 WeakPolarHBondContact CB-OD1 3.39Å; R68-D75 IonicContact CZ-OD1 2.75Å; R68-D75 VanDerWaalsContact CZ-OD1 3.23Å; R68-D75 IonicContact NE-OD1 2.75Å; R68-D75 PolarHBondContact NE-OD1 3.01Å; R68-D75 IonicContact NH2-OD1 3.62Å; R68-D75 PolarHBondContact NH2-OD1 2.85Å; R68-D75 IonicContact NH2-OD2 2.75Å; R68-D75 PolarHBondContact NH2-OD2 2.88Å
76S94.8Very high91.7Very high0 Ų036.9 Ų36.90%017%0.169CC..EExtended strand (participates in β ladder)trans-115.5143.9174.8-52.30000109.5L66 F67 R69L66-S76 WeakPolarHBondContact CA-O 3.17Å; F67-S76 VanDerWaalsContact CD1-O 3.29Å; F67-S76 WeakPolarHBondContact CD1-O 3.35Å; F67-S76 PolarHBondContact N-O 3.16Å; F67-S76 PolarHBondContact O-N 3.23Å; R69-S76 VanDerWaalsContact CD-OG 3.3Å; R69-S76 WeakPolarHBondContact CD-OG 3.43Å
77L95.7Very high91.6Very high4 Ų435.7 Ų35.72%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-94.8114.8178.1176.664.9000109.8F23 L32 V39 A64 L66 L79 I88 I89F23-L77 HydrophobicContact CE2-CB 3.79Å; F23-L77 HydrophobicContact CZ-CB 3.97Å; L32-L77 HydrophobicContact CD2-CB 4.47Å; L32-L77 HydrophobicContact CD2-CD1 3.93Å; L32-L77 HydrophobicContact CD2-CD2 3.96Å; L32-L77 HydrophobicContact CD2-CG 4.34Å; V39-L77 HydrophobicContact CG1-CD2 4.42Å; V39-L77 HydrophobicContact CG2-CD2 4.42Å; A64-L77 HydrophobicContact CB-CD1 4.34Å; L66-L77 HydrophobicContact CD2-CB 4.13Å; L66-L77 HydrophobicContact CD2-CD1 4.33Å; L77-L79 HydrophobicContact CD1-CD2 4.13Å; L77-L79 HydrophobicContact CD2-CD2 4.04Å; L77-L79 HydrophobicContact CD2-CG 4.32Å; L77-L79 HydrophobicContact CG-CD2 3.97Å; L77-L79 HydrophobicContact CG-CG 4.21Å; L77-I88 CarbonylContact O-C 3.52Å; L77-I88 WeakPolarHBondContact O-CA 3.44Å; L77-I89 HydrophobicContact CB-CB 4.41Å; L77-I89 HydrophobicContact CD2-CD1 4.4Å; L77-I89 PolarHBondContact N-O 2.88Å; L77-I89 PolarHBondContact O-N 2.83Å
78F95.6Very high91.6Very high4 Ų435.3 Ų35.32%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-89.1135.3166.3179.4-88.5000110.3A64 S65 F67 L80 V86 A87 I88 V122 I124 I131 V133 I143A64-F78 WeakPolarHBondContact CA-O 3.4Å; S65-F78 PolarHBondContact N-O 3.44Å; S65-F78 PolarHBondContact O-N 3.26Å; F67-F78 HydrophobicContact CD1-CB 4.28Å; F67-F78 HydrophobicContact CE1-CB 4.03Å; F78-L80 HydrophobicContact CE1-CB 4.15Å; F78-V86 HydrophobicContact CE2-CB 4.09Å; F78-V86 HydrophobicContact CE2-CG1 4.26Å; F78-V86 HydrophobicContact CZ-CB 3.99Å; F78-V86 HydrophobicContact CZ-CG1 3.68Å; F78-A87 WeakPolarHBondContact CA-O 3.32Å; F78-I88 HydrophobicContact CD2-CD1 4.4Å; F78-I88 HydrophobicContact CD2-CG1 3.88Å; F78-V122 HydrophobicContact CD1-CG1 3.59Å; F78-V122 HydrophobicContact CE1-CB 4.43Å; F78-V122 HydrophobicContact CE1-CG1 3.5Å; F78-V122 VanDerWaalsContact CE1-CG1 3.5Å; F78-V122 HydrophobicContact CE1-CG2 4.01Å; F78-I124 HydrophobicContact CB-CD1 3.89Å; F78-I124 HydrophobicContact CG-CD1 4.43Å; F78-I131 HydrophobicContact CB-CD1 4.26Å; F78-I131 HydrophobicContact CD2-CD1 3.28Å; F78-I131 HydrophobicContact CE1-CG2 4.26Å; F78-I131 HydrophobicContact CE2-CD1 3.63Å; F78-I131 HydrophobicContact CE2-CG2 4.29Å; F78-I131 HydrophobicContact CG-CD1 3.77Å; F78-I131 HydrophobicContact CZ-CD1 4.37Å; F78-I131 HydrophobicContact CZ-CG2 4.06Å; F78-V133 HydrophobicContact CZ-CG2 4.22Å; F78-I143 HydrophobicContact CE2-CD1 4.07Å; F78-I143 HydrophobicContact CZ-CD1 4.17Å
79L95Very high91.7Very high0 Ų030.5 Ų30.50%014%0.144CC..EExtended strand (participates in β ladder)trans-121.6138.8173.7-62.5-178000111.1I57 I61 A64 L77 V86 A87 I89I57-L79 HydrophobicContact CD1-CD1 3.9Å; I57-L79 HydrophobicContact CG1-CD1 4.05Å; I57-L79 HydrophobicContact CG2-CD1 4.33Å; I61-L79 HydrophobicContact CG2-CD2 4.16Å; A64-L79 HydrophobicContact CB-CD2 3.68Å; L77-L79 HydrophobicContact CD1-CD2 4.13Å; L77-L79 HydrophobicContact CD2-CD2 4.04Å; L77-L79 HydrophobicContact CD2-CG 4.32Å; L77-L79 HydrophobicContact CG-CD2 3.97Å; L77-L79 HydrophobicContact CG-CG 4.21Å; L79-V86 VanDerWaalsContact O-CA 3.29Å; L79-V86 WeakPolarHBondContact O-CA 3.4Å; L79-A87 PolarHBondContact N-O 2.91Å; L79-A87 PolarHBondContact O-N 2.97Å; L79-I89 HydrophobicContact CD1-CD1 3.55Å; L79-I89 HydrophobicContact CG-CD1 4.24Å
80L94.6Very high91.9Very high0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-114138.1163.8177.368.1000109.4V62 A63 F78 V86 V108 V122 V133 L135V62-L80 HydrophobicContact CG2-CB 4.27Å; V62-L80 HydrophobicContact CG2-CD2 3.95Å; V62-L80 HydrophobicContact CG2-CG 3.75Å; V62-L80 WeakPolarHBondContact CG2-O 3.41Å; V62-L80 PolarHBondContact N-O 3.16Å; A63-L80 HydrophobicContact CB-CB 4.25Å; A63-L80 HydrophobicContact CB-CD2 4.45Å; A63-L80 PolarHBondContact N-O 3.29Å; A63-L80 PolarHBondContact O-N 2.92Å; F78-L80 HydrophobicContact CE1-CB 4.15Å; L80-V86 HydrophobicContact CD1-CG1 3.71Å; L80-V108 HydrophobicContact CD1-CG2 4.19Å; L80-V122 HydrophobicContact CB-CG2 3.84Å; L80-V122 HydrophobicContact CD2-CG2 3.62Å; L80-V122 HydrophobicContact CG-CG2 4.36Å; L80-V133 HydrophobicContact CD1-CG1 3.98Å; L80-V133 HydrophobicContact CD2-CG1 3.77Å; L80-L135 HydrophobicContact CD2-CD1 4.48Å
81T92.7Very high92.2Very high3 Ų323.7 Ų23.72%0.01812%0.116CC..EExtended strand (participates in β ladder)trans-116.9154.8-177.481.10000112.9A59 K60 K83 A84 G85 F1253A59-T81 HydrophobicContact CB-CG2 3.43Å; A59-T81 VanDerWaalsContact CB-CG2 3.43Å; K60-T81 CarbonylContact O-C 3.41Å; K60-T81 WeakPolarHBondContact O-CA 3.39Å; K60-T81 WeakPolarHBondContact O-CB 3.16Å; T81-K83 PolarHBondContact O-N 3.04Å; T81-K83 VanDerWaalsContact O-N 3.16Å; T81-A84 WeakPolarHBondContact O-CA 3.27Å; T81-A84 PolarHBondContact O-N 2.86Å; T81-G85 PolarHBondContact N-O 2.76Å; T81-G85 VanDerWaalsContact OG1-CA 3.3Å; T81-G85 WeakPolarHBondContact OG1-CA 3.48Å; T81-G85 PolarHBondContact OG1-N 2.85Å; T81-G85 PolarHBondContact OG1-O 3Å; T81-F1253 HydrophobicContact CG2-CD2 4.47Å; T81-F1253 HydrophobicContact CG2-CE1 4.3Å; T81-F1253 HydrophobicContact CG2-CE2 3.68Å; T81-F1253 HydrophobicContact CG2-CZ 3.58Å
82H87.3Confident92.5Very high54 Ų5421.8 Ų21.825%0.2511%0.108CC..THydrogen-bonded Turntrans-56.1-32.6-179.8-174-101.1000113.4K60 V62 A84K60-H82 HydrophobicContact CB-CB 4.07Å; K60-H82 HydrophobicContact CD-CB 4.21Å; K60-H82 HydrophobicContact CG-CB 4.01Å; K60-H82 PolarHBondContact O-N 3.25Å; V62-H82 HydrophobicContact CG1-CB 3.81Å; H82-A84 PolarHBondContact O-N 3.43Å
83K85.9Confident92.3Very high40 Ų4024.4 Ų24.417%0.17412%0.118CC..THydrogen-bonded Turntrans-82.923.5176-72.1-179.9171.71790112.8T81 G85 T1257 W1258 A1260T81-K83 PolarHBondContact O-N 3.04Å; T81-K83 VanDerWaalsContact O-N 3.16Å; K83-G85 PolarHBondContact O-N 3.42Å; K83-T1257 PolarHBondContact NZ-O 2.88Å; K83-W1258 PolarHBondContact NZ-O 2.82Å; K83-A1260 PolarHBondContact NZ-O 3.34Å
84A89.8Confident91.8Very high0 Ų021.6 Ų21.60%011%0.107CC..SBendtrans56.928.1-177.300000113.9T81 H82 S107 V108 E109 L135T81-A84 WeakPolarHBondContact O-CA 3.27Å; T81-A84 PolarHBondContact O-N 2.86Å; H82-A84 PolarHBondContact O-N 3.43Å; A84-S107 CarbonylContact O-C 3.6Å; A84-S107 VanDerWaalsContact O-CA 3.27Å; A84-S107 WeakPolarHBondContact O-CA 3.47Å; A84-S107 PolarHBondContact O-OG 2.73Å; A84-V108 HydrophobicContact CB-CG2 4.1Å; A84-V108 PolarHBondContact O-N 2.6Å; A84-E109 HydrophobicContact CB-CB 3.92Å; A84-E109 HydrophobicContact CB-CG 4.45Å; A84-L135 HydrophobicContact CB-CD2 3.51Å
85G92.1Very high90.8Very high6 Ų627.5 Ų27.56%0.06214%0.138CC..EExtended strand (participates in β ladder)trans-85.5148.1171.400000110.6T81 K83 G106T81-G85 PolarHBondContact N-O 2.76Å; T81-G85 VanDerWaalsContact OG1-CA 3.3Å; T81-G85 WeakPolarHBondContact OG1-CA 3.48Å; T81-G85 PolarHBondContact OG1-N 2.85Å; T81-G85 PolarHBondContact OG1-O 3Å; K83-G85 PolarHBondContact O-N 3.42Å; G85-G106 WeakPolarHBondContact CA-O 3.35Å
86V94.1Very high89.7Confident2 Ų233.5 Ų33.51%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-131.2146174.6-68.30000110.3F78 L79 L80 S105 G106 V108 V164F78-V86 HydrophobicContact CE2-CB 4.09Å; F78-V86 HydrophobicContact CE2-CG1 4.26Å; F78-V86 HydrophobicContact CZ-CB 3.99Å; F78-V86 HydrophobicContact CZ-CG1 3.68Å; L79-V86 VanDerWaalsContact O-CA 3.29Å; L79-V86 WeakPolarHBondContact O-CA 3.4Å; L80-V86 HydrophobicContact CD1-CG1 3.71Å; V86-S105 CarbonylContact O-C 3.59Å; V86-S105 VanDerWaalsContact O-CA 3.31Å; V86-S105 WeakPolarHBondContact O-CA 3.32Å; V86-G106 PolarHBondContact N-O 3.25Å; V86-G106 PolarHBondContact O-N 2.98Å; V86-V108 HydrophobicContact CG1-CG1 3.76Å; V86-V108 HydrophobicContact CG1-CG2 4.28Å; V86-V108 HydrophobicContact CG2-CG1 4.12Å; V86-V164 HydrophobicContact CG2-CG2 3.93Å
87A93.8Very high88.7Confident2 Ų236.1 Ų36.12%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-145.4153.6175.800000112F78 L79 A104 F1253F78-A87 WeakPolarHBondContact CA-O 3.32Å; L79-A87 PolarHBondContact N-O 2.91Å; L79-A87 PolarHBondContact O-N 2.97Å; A87-A104 CarbonylContact C-O 3.58Å; A87-A104 WeakPolarHBondContact CA-O 3.29Å; A87-F1253 HydrophobicContact CB-CE2 4.04Å; A87-F1253 HydrophobicContact CB-CZ 3.77Å
88I93.9Very high88.2Confident8 Ų837.2 Ų37.24%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-123121.4168-57179.6000107.7F67 L77 F78 V103 A104 L145 I148F67-I88 HydrophobicContact CE1-CG2 4.2Å; F67-I88 HydrophobicContact CZ-CD1 4.09Å; F67-I88 HydrophobicContact CZ-CG2 4.14Å; L77-I88 CarbonylContact O-C 3.52Å; L77-I88 WeakPolarHBondContact O-CA 3.44Å; F78-I88 HydrophobicContact CD2-CD1 4.4Å; F78-I88 HydrophobicContact CD2-CG1 3.88Å; I88-V103 PolarHBondContact O-N 2.91Å; I88-A104 HydrophobicContact CB-CB 4.19Å; I88-A104 HydrophobicContact CD1-CB 4.26Å; I88-A104 HydrophobicContact CG1-CB 4.31Å; I88-A104 PolarHBondContact N-O 2.81Å; I88-A104 PolarHBondContact O-N 2.8Å; I88-L145 HydrophobicContact CD1-CD2 4Å; I88-I148 HydrophobicContact CD1-CD1 3.4Å
89I94.2Very high87.9Confident3 Ų342 Ų422%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-114.3134.8-177-58.5160.4000108.2F23 I57 L77 L79 F100 V101 V1250F23-I89 HydrophobicContact CZ-CG2 4.34Å; I57-I89 HydrophobicContact CD1-CD1 3.93Å; L77-I89 HydrophobicContact CB-CB 4.41Å; L77-I89 HydrophobicContact CD2-CD1 4.4Å; L77-I89 PolarHBondContact N-O 2.88Å; L77-I89 PolarHBondContact O-N 2.83Å; L79-I89 HydrophobicContact CD1-CD1 3.55Å; L79-I89 HydrophobicContact CG-CD1 4.24Å; I89-F100 HydrophobicContact CG2-CB 4.05Å; I89-V101 WeakPolarHBondContact CA-O 3.32Å; I89-V1250 HydrophobicContact CD1-CG1 3.7Å; I89-V1250 HydrophobicContact CG1-CG1 3.94Å; I89-V1250 HydrophobicContact CG2-CG1 4Å
90E93.5Very high87.7Confident5 Ų543.2 Ų43.22%0.02322%0.223CC..EExtended strand (participates in β ladder)trans-118.3147.8172-71177.5-157.700109.6R69 R72 V101 V103R69-E90 WeakPolarHBondContact CD-OE1 2.93Å; R69-E90 IonicContact CZ-OE1 2.85Å; R69-E90 IonicContact NE-OE1 3.8Å; R69-E90 IonicContact NH1-OE1 2.81Å; R69-E90 PolarHBondContact NH1-OE1 3.01Å; R72-E90 IonicContact CZ-OE2 3.57Å; R72-E90 VanDerWaalsContact CZ-OE2 3.22Å; R72-E90 IonicContact NE-OE1 2.7Å; R72-E90 IonicContact NE-OE2 3.07Å; R72-E90 PolarHBondContact NE-OE2 2.92Å; R72-E90 IonicContact NH2-OE2 2.73Å; R72-E90 PolarHBondContact NH2-OE2 3.46Å; E90-V101 PolarHBondContact N-O 2.85Å; E90-V101 PolarHBondContact O-N 3.03Å; E90-V103 HydrophobicContact CB-CG2 3.82Å; E90-V103 HydrophobicContact CG-CG2 3.75Å
91C92.4Very high87.6Confident14 Ų1446.1 Ų46.110%0.09524%0.241CC..EExtended strand (participates in β ladder)trans-91.5130.1173.8-173.60000109.8F23 V98 F100F23-C91 HydrophobicContact CD1-CB 4.19Å; F23-C91 HydrophobicContact CE1-CB 4.07Å; F23-C91 HydrophobicContact CE2-CB 4.41Å; F23-C91 HydrophobicContact CG-CB 4.44Å; F23-C91 HydrophobicContact CZ-CB 4.17Å; F23-C91 VanDerWaalsContact O-CB 3.29Å; F23-C91 WeakPolarHBondContact O-CB 3.26Å; C91-V98 WeakPolarHBondContact SG-CG1 3.19Å; C91-F100 HydrophobicContact CB-CD1 4.31Å; C91-F100 HydrophobicContact CB-CE1 4.18Å
92V89Confident87.5Confident50 Ų5048 Ų4830%0.30325%0.252SS..EExtended strand (participates in β ladder)trans-118.9122175.5-177.20000108.5E99 V101V92-E99 PolarHBondContact N-O 3.01Å; V92-E99 PolarHBondContact O-N 3.13Å; V92-V101 HydrophobicContact CB-CG2 4.34Å; V92-V101 HydrophobicContact CG2-CB 4.43Å; V92-V101 HydrophobicContact CG2-CG2 3.74Å
93R82.5Confident87.6Confident125 Ų12547.6 Ų47.647%0.47225%0.253SS..EExtended strand (participates in β ladder)trans-110.8113.6-178.5-172.5173.9-176.5168.61.6109.9D28 S97 V98D28-R93 IonicContact OD2-NH1 3.25Å; D28-R93 PolarHBondContact OD2-NH1 2.9Å; R93-S97 WeakPolarHBondContact CA-O 3.21Å; R93-V98 HydrophobicContact CG-CG2 4.31Å
94N80.6Confident87.7Confident90 Ų9046 Ų4648%0.48125%0.248SC..EExtended strand (participates in β ladder)trans-113.499-179.7-70.6-26.5000109D96 S97N94-D96 PolarHBondContact O-N 3.2Å; N94-S97 PolarHBondContact N-O 3.12Å; N94-S97 PolarHBondContact O-N 2.97Å; N94-S97 PolarHBondContact O-OG 2.85Å
95N74Confident87.7Confident152 Ų15247.2 Ų47.281%0.81326%0.256SS*.THydrogen-bonded Turntrans51.4-95-172.8-61.4-10.1000112.2
96D71.2Confident87.5Confident141 Ų14148.2 Ų48.275%0.75427%0.266SS*.THydrogen-bonded Turntrans-102.6-12.3-178.3-63.6-39.8000114N94N94-D96 PolarHBondContact O-N 3.2Å
97S75.8Confident87.2Confident55 Ų5551.1 Ų51.139%0.38529%0.286SS..EExtended strand (participates in β ladder)trans-96.414117972.40000112.7R93 N94R93-S97 WeakPolarHBondContact CA-O 3.21Å; N94-S97 PolarHBondContact N-O 3.12Å; N94-S97 PolarHBondContact O-N 2.97Å; N94-S97 PolarHBondContact O-OG 2.85Å
98V84.8Confident87.1Confident27 Ų2751.1 Ų51.116%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-117.2120.3173.8-177.60000108.8V52 C91 R93 F100V52-V98 HydrophobicContact CG1-CB 4.38Å; V52-V98 HydrophobicContact CG1-CG1 4.13Å; V52-V98 HydrophobicContact CG1-CG2 4.1Å; C91-V98 WeakPolarHBondContact SG-CG1 3.19Å; R93-V98 HydrophobicContact CG-CG2 4.31Å; V98-F100 HydrophobicContact CG1-CE1 4.35Å; V98-F100 HydrophobicContact CG1-CE2 3.91Å; V98-F100 HydrophobicContact CG1-CZ 3.69Å
99E88.2Confident86.8Confident105 Ų10553.4 Ų53.449%0.49130%0.297SS..EExtended strand (participates in β ladder)trans-118.6146.5178.7-66.8-175175.700111V92V92-E99 PolarHBondContact N-O 3.01Å; V92-E99 PolarHBondContact O-N 3.13Å
100F91.5Very high86.5Confident26 Ų2654.7 Ų54.711%0.11430%0.304CS..EExtended strand (participates in β ladder)trans-114.2108.3179.9-61-83.1000108.9F23 V41 R53 V55 I89 C91 V98 V1250F23-F100 HydrophobicContact CD1-CE1 4.42Å; F23-F100 AromaticContact CE1-CD1 3.88Å; F23-F100 HydrophobicContact CE1-CD1 3.88Å; F23-F100 AromaticContact CE1-CE1 3.69Å; F23-F100 HydrophobicContact CE1-CE1 3.69Å; F23-F100 HydrophobicContact CZ-CD1 4.24Å; F23-F100 HydrophobicContact CZ-CE1 4.47Å; V41-F100 HydrophobicContact CB-CZ 4.43Å; V41-F100 HydrophobicContact CG2-CE1 3.99Å; V41-F100 HydrophobicContact CG2-CZ 4.12Å; R53-F100 HydrophobicContact CB-CE2 3.51Å; R53-F100 HydrophobicContact CB-CZ 3.88Å; R53-F100 HydrophobicContact CG-CD2 4.44Å; R53-F100 HydrophobicContact CG-CE2 3.71Å; V55-F100 HydrophobicContact CG1-CB 4.32Å; V55-F100 HydrophobicContact CG1-CG 4.42Å; V55-F100 HydrophobicContact CG2-CB 4.47Å; V55-F100 HydrophobicContact CG2-CD1 4.03Å; V55-F100 HydrophobicContact CG2-CD2 3.52Å; V55-F100 HydrophobicContact CG2-CE1 4.14Å; V55-F100 HydrophobicContact CG2-CE2 3.66Å; V55-F100 HydrophobicContact CG2-CG 3.71Å; V55-F100 HydrophobicContact CG2-CZ 3.96Å; I89-F100 HydrophobicContact CG2-CB 4.05Å; C91-F100 HydrophobicContact CB-CD1 4.31Å; C91-F100 HydrophobicContact CB-CE1 4.18Å; V98-F100 HydrophobicContact CG1-CE1 4.35Å; V98-F100 HydrophobicContact CG1-CE2 3.91Å; V98-F100 HydrophobicContact CG1-CZ 3.69Å; F100-V1250 HydrophobicContact CB-CG1 4.26Å; F100-V1250 HydrophobicContact CB-CG2 4.49Å
101V91.5Very high86Confident61 Ų6163.3 Ų63.337%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-102.6133.2-170.1-174.50000109.5I89 E90 V92 V103I89-V101 WeakPolarHBondContact CA-O 3.32Å; E90-V101 PolarHBondContact N-O 2.85Å; E90-V101 PolarHBondContact O-N 3.03Å; V92-V101 HydrophobicContact CB-CG2 4.34Å; V92-V101 HydrophobicContact CG2-CB 4.43Å; V92-V101 HydrophobicContact CG2-CG2 3.74Å; V101-V103 PolarHBondContact O-N 2.85Å
102T91.9Very high85.6Confident43 Ų4368 Ų6826%0.26437%0.369SS..EExtended strand (participates in β ladder)trans-83.3110.3173.8-52.90000108.8G1251T102-G1251 PolarHBondContact OG1-N 3.31Å
103V88.7Confident85.5Confident44 Ų4467 Ų6727%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-93.6-27.3-175.5-174.10000111.8I88 E90 V101 I148I88-V103 PolarHBondContact O-N 2.91Å; E90-V103 HydrophobicContact CB-CG2 3.82Å; E90-V103 HydrophobicContact CG-CG2 3.75Å; V101-V103 PolarHBondContact O-N 2.85Å; V103-I148 HydrophobicContact CG1-CG2 4.28Å
104A88.3Confident85.6Confident7 Ų768.8 Ų68.86%0.05837%0.372CS..EExtended strand (participates in β ladder)trans-145.3146.2167.200000110A87 I88 I148 W162A87-A104 CarbonylContact C-O 3.58Å; A87-A104 WeakPolarHBondContact CA-O 3.29Å; I88-A104 HydrophobicContact CB-CB 4.19Å; I88-A104 HydrophobicContact CD1-CB 4.26Å; I88-A104 HydrophobicContact CG1-CB 4.31Å; I88-A104 PolarHBondContact N-O 2.81Å; I88-A104 PolarHBondContact O-N 2.8Å; A104-I148 HydrophobicContact CB-CD1 4.33Å; A104-I148 HydrophobicContact CB-CG2 4.24Å; A104-W162 HydrophobicContact CB-CE3 3.7Å; A104-W162 HydrophobicContact CB-CZ3 3.8Å
105S89.4Confident85.8Confident26 Ų2667.1 Ų67.118%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-149.1159.7168.664.90000110.9V86 G1251V86-S105 CarbonylContact O-C 3.59Å; V86-S105 VanDerWaalsContact O-CA 3.31Å; V86-S105 WeakPolarHBondContact O-CA 3.32Å; S105-G1251 WeakPolarHBondContact CB-O 3.33Å
106G88.1Confident86.5Confident26 Ų2660.2 Ų60.227%0.26833%0.326SS..EExtended strand (participates in β ladder)trans171-155.9174.200000112.4G85 V86G85-G106 WeakPolarHBondContact CA-O 3.35Å; V86-G106 PolarHBondContact N-O 3.25Å; V86-G106 PolarHBondContact O-N 2.98Å
107S88.4Confident86.9Confident63 Ų6359.4 Ų59.444%0.44132%0.322SS..EExtended strand (participates in β ladder)trans-135.2144.6178.9-1770000111.6A84 E109A84-S107 CarbonylContact O-C 3.6Å; A84-S107 VanDerWaalsContact O-CA 3.27Å; A84-S107 WeakPolarHBondContact O-CA 3.47Å; A84-S107 PolarHBondContact O-OG 2.73Å; S107-E109 WeakPolarHBondContact OG-CB 3.34Å; S107-E109 PolarHBondContact OG-N 2.75Å; S107-E109 VanDerWaalsContact OG-N 3.08Å
108V90.4Very high87Confident2 Ų264.8 Ų64.81%0.01234%0.341CS..  trans-101.410.4170.9-600000111.9L80 A84 V86 D110 L135 K141 I143 T166L80-V108 HydrophobicContact CD1-CG2 4.19Å; A84-V108 HydrophobicContact CB-CG2 4.1Å; A84-V108 PolarHBondContact O-N 2.6Å; V86-V108 HydrophobicContact CG1-CG1 3.76Å; V86-V108 HydrophobicContact CG1-CG2 4.28Å; V86-V108 HydrophobicContact CG2-CG1 4.12Å; V108-D110 PolarHBondContact O-N 2.99Å; V108-L135 HydrophobicContact CG2-CD2 3.86Å; V108-K141 HydrophobicContact CB-CG 4.32Å; V108-K141 VanDerWaalsContact O-CE 3.29Å; V108-K141 WeakPolarHBondContact O-CE 3.43Å; V108-I143 HydrophobicContact CG1-CD1 4.22Å; V108-T166 HydrophobicContact CG1-CG2 3.82Å
109E88Confident86.7Confident57 Ų5765.1 Ų65.127%0.26635%0.349SS..  trans-57.4122.5-173.4-169.1-179.8-11800111.9A84 S107 R111 Y136 K1262A84-E109 HydrophobicContact CB-CB 3.92Å; A84-E109 HydrophobicContact CB-CG 4.45Å; S107-E109 WeakPolarHBondContact OG-CB 3.34Å; S107-E109 PolarHBondContact OG-N 2.75Å; S107-E109 VanDerWaalsContact OG-N 3.08Å; E109-R111 HydrophobicContact CG-CG 4.13Å; E109-R111 WeakPolarHBondContact OE2-CG 3.33Å; E109-R111 IonicContact OE2-CZ 2.79Å; E109-R111 IonicContact OE2-NE 3.42Å; E109-R111 PolarHBondContact OE2-NE 3.32Å; E109-R111 IonicContact OE2-NH2 2.72Å; E109-R111 PolarHBondContact OE2-NH2 3.42Å; E109-Y136 WeakPolarHBondContact CA-OH 3.39Å; E109-K1262 IonicContact OE1-NZ 3.95Å; E109-K1262 PolarHBondContact OE1-NZ 3.39Å
110D87.9Confident86.6Confident29 Ų2962.1 Ų62.116%0.15534%0.335CS..  trans-112.297169.7-154.7-51000110V108 S112 A113 Y136 K141 S168V108-D110 PolarHBondContact O-N 2.99Å; D110-S112 PolarHBondContact O-N 3.49Å; D110-S112 WeakPolarHBondContact OD1-CB 3.43Å; D110-S112 PolarHBondContact OD1-N 3.26Å; D110-S112 PolarHBondContact OD1-OG 3.25Å; D110-A113 HydrophobicContact CB-CB 4.06Å; D110-A113 PolarHBondContact O-N 3.36Å; D110-A113 VanDerWaalsContact O-N 3.08Å; D110-Y136 HydrophobicContact CB-CD2 4.4Å; D110-Y136 HydrophobicContact CB-CE1 4.22Å; D110-Y136 HydrophobicContact CB-CE2 3.87Å; D110-Y136 PolarHBondContact N-OH 2.92Å; D110-K141 IonicContact OD2-NZ 2.7Å; D110-K141 PolarHBondContact OD2-NZ 3.02Å; D110-S168 PolarHBondContact OD2-OG 3.48Å
111R82.7Confident86.4Confident187 Ų18762.1 Ų62.171%0.70634%0.336SS*.THydrogen-bonded Turntrans-65.4-8.8-178-62.7-176.8-179.9177.91.8114.1E109E109-R111 HydrophobicContact CG-CG 4.13Å; E109-R111 WeakPolarHBondContact OE2-CG 3.33Å; E109-R111 IonicContact OE2-CZ 2.79Å; E109-R111 IonicContact OE2-NE 3.42Å; E109-R111 PolarHBondContact OE2-NE 3.32Å; E109-R111 IonicContact OE2-NH2 2.72Å; E109-R111 PolarHBondContact OE2-NH2 3.42Å
112S85.1Confident86.4Confident113 Ų11360.3 Ų60.379%0.7933%0.325SS*.THydrogen-bonded Turntrans-93.2-17.9176.476.90000113.4D110D110-S112 PolarHBondContact O-N 3.49Å; D110-S112 WeakPolarHBondContact OD1-CB 3.43Å; D110-S112 PolarHBondContact OD1-N 3.26Å; D110-S112 PolarHBondContact OD1-OG 3.25Å
113A85.8Confident86.6Confident27 Ų2759 Ų5922%0.22332%0.317CS..SBendtrans-103.3150.8-175.700000112.1D110 Y136 L139D110-A113 HydrophobicContact CB-CB 4.06Å; D110-A113 PolarHBondContact O-N 3.36Å; D110-A113 VanDerWaalsContact O-N 3.08Å; A113-Y136 HydrophobicContact CB-CD1 3.37Å; A113-Y136 HydrophobicContact CB-CE1 3.95Å; A113-Y136 HydrophobicContact CB-CG 3.77Å; A113-L139 HydrophobicContact CB-CD2 4.4Å
114R85.3Confident86.8Confident163 Ų16358.1 Ų58.162%0.61531%0.31SS*.PPolyproline II helixtrans-86.2123175.4-179.8-179.2169.9-173.5-5.3109.6D117 Y136 H137R114-D117 IonicContact NH2-OD2 3.49Å; R114-D117 PolarHBondContact NH2-OD2 3.12Å; R114-D117 VanDerWaalsContact NH2-OD2 3.14Å; R114-Y136 WeakPolarHBondContact O-CA 3.25Å; R114-H137 PolarHBondContact O-N 2.84Å; R114-H137 VanDerWaalsContact O-N 3.13Å
115I86Confident87Confident56 Ų5658.3 Ų58.329%0.28731%0.31SS..BIsolated β-bridgetrans-63.6142.1172.8-62.4175.6000109.1F120 L135 Y136I115-F120 HydrophobicContact CG2-CE1 3.94Å; I115-F120 HydrophobicContact CG2-CZ 4.27Å; I115-L135 VanDerWaalsContact CA-O 3.3Å; I115-L135 WeakPolarHBondContact CA-O 3.17Å; I115-L135 HydrophobicContact CG2-CD1 4.47Å; I115-Y136 HydrophobicContact CB-CE1 4.46Å; I115-Y136 HydrophobicContact CD1-CE1 4.42Å; I115-Y136 HydrophobicContact CG1-CD1 4.02Å; I115-Y136 HydrophobicContact CG1-CE1 3.43Å; I115-Y136 VanDerWaalsContact CG1-CE1 3.43Å
116I88Confident86.9Confident7 Ų760.8 Ų60.84%0.03633%0.326CS..PPolyproline II helixtrans-76.2142.1173.563.4-171.3000110.5Q118 G119 F120 R134 L135I116-Q118 WeakPolarHBondContact CG1-O 3.39Å; I116-G119 WeakPolarHBondContact CD1-O 3.42Å; I116-F120 HydrophobicContact CD1-CD1 3.9Å; I116-F120 HydrophobicContact CD1-CE1 4.28Å; I116-F120 HydrophobicContact CG1-CD1 3.63Å; I116-F120 HydrophobicContact CG1-CE1 3.48Å; I116-F120 VanDerWaalsContact CG1-CE1 3.48Å; I116-F120 HydrophobicContact CG1-CZ 4.47Å; I116-F120 WeakPolarHBondContact O-CE1 3.35Å; I116-F120 WeakPolarHBondContact O-CZ 3.32Å; I116-R134 HydrophobicContact CD1-CG 4.08Å; I116-L135 PolarHBondContact N-O 3.34Å
117D78.6Confident86.9Confident124 Ų12461.1 Ų61.166%0.66333%0.329SS*.SBendtrans-74.4-28.5-174.5-58-49.2000112.3R114R114-D117 IonicContact NH2-OD2 3.49Å; R114-D117 PolarHBondContact NH2-OD2 3.12Å; R114-D117 VanDerWaalsContact NH2-OD2 3.14Å
118Q78.5Confident87Confident167 Ų16758.5 Ų58.578%0.7831%0.311SS*.SBendtrans-150170.3177.1-63.7-174.6-7.400110.4I116I116-Q118 WeakPolarHBondContact CG1-O 3.39Å
119G78.4Confident86.9Confident34 Ų3459.7 Ų59.735%0.35132%0.317SS..  trans79.548.4177.200000114.2I116 D121 R134I116-G119 WeakPolarHBondContact CD1-O 3.42Å; G119-D121 PolarHBondContact O-N 3.23Å; G119-R134 PolarHBondContact O-NE 3.02Å
120F85.9Confident87.1Confident42 Ų4258.1 Ų58.118%0.18431%0.309CS..  trans-80.2102.3178.8-60.1-57.9000111.6V62 I115 I116 L135V62-F120 HydrophobicContact CB-CD2 3.86Å; V62-F120 HydrophobicContact CB-CE2 4.46Å; V62-F120 HydrophobicContact CB-CG 4.44Å; V62-F120 HydrophobicContact CG1-CD2 4.17Å; V62-F120 HydrophobicContact CG1-CE2 4.28Å; V62-F120 HydrophobicContact CG2-CB 4.37Å; V62-F120 HydrophobicContact CG2-CD2 4.2Å; V62-F120 HydrophobicContact CG2-CG 4.35Å; I115-F120 HydrophobicContact CG2-CE1 3.94Å; I115-F120 HydrophobicContact CG2-CZ 4.27Å; I116-F120 HydrophobicContact CD1-CD1 3.9Å; I116-F120 HydrophobicContact CD1-CE1 4.28Å; I116-F120 HydrophobicContact CG1-CD1 3.63Å; I116-F120 HydrophobicContact CG1-CE1 3.48Å; I116-F120 VanDerWaalsContact CG1-CE1 3.48Å; I116-F120 HydrophobicContact CG1-CZ 4.47Å; I116-F120 WeakPolarHBondContact O-CE1 3.35Å; I116-F120 WeakPolarHBondContact O-CZ 3.32Å; F120-L135 HydrophobicContact CD1-CD1 3.55Å; F120-L135 HydrophobicContact CE1-CD1 3.61Å; F120-L135 HydrophobicContact CG-CD1 4.48Å
121D86.8Confident87.4Confident26 Ų2656.8 Ų56.814%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-97.9135.8-177.2-51.6-38.4000112.1G119 L123 R134G119-D121 PolarHBondContact O-N 3.23Å; D121-L123 HydrophobicContact CB-CD2 4.42Å; D121-R134 HydrophobicContact CB-CB 3.97Å; D121-R134 PolarHBondContact N-O 2.92Å; D121-R134 PolarHBondContact O-N 2.87Å; D121-R134 WeakPolarHBondContact OD2-CD 3.38Å; D121-R134 IonicContact OD2-CZ 3.2Å; D121-R134 IonicContact OD2-NE 3.19Å; D121-R134 IonicContact OD2-NH1 3.61Å; D121-R134 PolarHBondContact OD2-NH1 2.99Å
122V93.2Very high88Confident23 Ų2347.9 Ų47.914%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-124.7114.5170.4174.60000108.2A63 F78 L80 I124 I131 V132 V133A63-V122 HydrophobicContact CB-CB 4.16Å; A63-V122 HydrophobicContact CB-CG2 3.57Å; F78-V122 HydrophobicContact CD1-CG1 3.59Å; F78-V122 HydrophobicContact CE1-CB 4.43Å; F78-V122 HydrophobicContact CE1-CG1 3.5Å; F78-V122 VanDerWaalsContact CE1-CG1 3.5Å; F78-V122 HydrophobicContact CE1-CG2 4.01Å; L80-V122 HydrophobicContact CB-CG2 3.84Å; L80-V122 HydrophobicContact CD2-CG2 3.62Å; L80-V122 HydrophobicContact CG-CG2 4.36Å; V122-I124 HydrophobicContact CG1-CG1 4.36Å; V122-I131 HydrophobicContact CG1-CG2 3.88Å; V122-V132 WeakPolarHBondContact CA-O 3.35Å; V122-V133 HydrophobicContact CG2-CG2 4.44Å
123L94.5Very high88.5Confident17 Ų1742.5 Ų42.59%0.08923%0.231CC..EExtended strand (participates in β ladder)trans-109.9127.4179-40.4177.6000108.3D121 I131 V132 M179 F181 F190D121-L123 HydrophobicContact CB-CD2 4.42Å; L123-I131 CarbonylContact O-C 3.56Å; L123-I131 VanDerWaalsContact O-CA 3.32Å; L123-I131 WeakPolarHBondContact O-CA 3.27Å; L123-V132 HydrophobicContact CB-CB 4.2Å; L123-V132 HydrophobicContact CD1-CB 4.33Å; L123-V132 HydrophobicContact CG-CB 4.44Å; L123-V132 PolarHBondContact N-O 2.97Å; L123-V132 PolarHBondContact O-N 3.31Å; L123-M179 HydrophobicContact CD1-CB 3.58Å; L123-M179 HydrophobicContact CD1-CE 4.03Å; L123-M179 HydrophobicContact CD1-SD 4.41Å; L123-M179 HydrophobicContact CD2-CB 4.06Å; L123-M179 WeakPolarHBondContact CD2-O 3.41Å; L123-M179 HydrophobicContact CG-CB 4.35Å; L123-F181 HydrophobicContact CB-CD2 3.58Å; L123-F181 HydrophobicContact CB-CE2 3.56Å; L123-F190 HydrophobicContact CD1-CB 4.33Å; L123-F190 HydrophobicContact CD1-CG 4.45Å
124I94Very high88.8Confident24 Ų2442.3 Ų42.312%0.12322%0.224CC..EExtended strand (participates in β ladder)trans-110.5126.8172.5-51.3-174.1000108.1F67 F78 V122 I131 L145 F181F67-I124 HydrophobicContact CB-CB 4.37Å; F67-I124 HydrophobicContact CB-CD1 3.91Å; F67-I124 HydrophobicContact CB-CG2 3.69Å; F67-I124 HydrophobicContact CD1-CD1 3.58Å; F67-I124 HydrophobicContact CD2-CG2 4.07Å; F67-I124 HydrophobicContact CE1-CD1 4.37Å; F67-I124 HydrophobicContact CG-CD1 3.86Å; F67-I124 HydrophobicContact CG-CG2 3.87Å; F78-I124 HydrophobicContact CB-CD1 3.89Å; F78-I124 HydrophobicContact CG-CD1 4.43Å; V122-I124 HydrophobicContact CG1-CG1 4.36Å; I124-I131 HydrophobicContact CD1-CD1 4.02Å; I124-I131 HydrophobicContact CD1-CG1 4.43Å; I124-I131 HydrophobicContact CG1-CD1 4.14Å; I124-I131 HydrophobicContact CG1-CG1 4.02Å; I124-I131 HydrophobicContact CG1-CG2 4.23Å; I124-I131 HydrophobicContact CG2-CG1 4.19Å; I124-L145 HydrophobicContact CG2-CD1 4.35Å; I124-F181 WeakPolarHBondContact O-CD2 3.5Å
125D92.4Very high89.1Confident12 Ų1234.6 Ų34.66%0.06420%0.195CC..  trans-58.5128.9174.1160.740000109.5G127 A128 N129 Y130 F181 P188D125-G127 VanDerWaalsContact CG-N 3.29Å; D125-G127 PolarHBondContact O-N 2.75Å; D125-G127 PolarHBondContact OD1-N 3.47Å; D125-G127 WeakPolarHBondContact OD2-CA 3.48Å; D125-G127 PolarHBondContact OD2-N 2.83Å; D125-A128 WeakPolarHBondContact O-CA 3.32Å; D125-A128 PolarHBondContact O-N 3.14Å; D125-A128 PolarHBondContact OD2-N 2.89Å; D125-N129 VanDerWaalsContact OD2-CB 3.22Å; D125-N129 WeakPolarHBondContact OD2-CB 3.33Å; D125-N129 PolarHBondContact OD2-N 2.86Å; D125-N129 PolarHBondContact OD2-ND2 3.19Å; D125-Y130 WeakPolarHBondContact CB-O 3.41Å; D125-Y130 PolarHBondContact N-O 3.44Å; D125-F181 HydrophobicContact CB-CE1 4.17Å; D125-F181 HydrophobicContact CB-CE2 4.14Å; D125-F181 HydrophobicContact CB-CZ 3.97Å; D125-F181 VanDerWaalsContact N-CE2 3.29Å; D125-P188 HydrophobicContact CB-CB 4.23Å
126P87.6Confident89.3Confident78 Ų7832.2 Ų32.251%0.50618%0.183SC..THydrogen-bonded Turntrans-56.3-23.4174.4-2735.3000113.9A128 F181 Y183P126-A128 VanDerWaalsContact C-N 3.28Å; P126-F181 HydrophobicContact CG-CB 4.43Å; P126-Y183 HydrophobicContact CB-CE1 4.09Å; P126-Y183 HydrophobicContact CG-CD1 4.43Å; P126-Y183 HydrophobicContact CG-CE1 3.8Å
127G87.7Confident89.4Confident32 Ų3236.3 Ų36.333%0.3320%0.202SC..THydrogen-bonded Turntrans-81.93.817100000115.2K70 D125 N129K70-G127 WeakPolarHBondContact CE-O 3.45Å; D125-G127 VanDerWaalsContact CG-N 3.29Å; D125-G127 PolarHBondContact O-N 2.75Å; D125-G127 PolarHBondContact OD1-N 3.47Å; D125-G127 WeakPolarHBondContact OD2-CA 3.48Å; D125-G127 PolarHBondContact OD2-N 2.83Å; G127-N129 VanDerWaalsContact C-N 3.27Å; G127-N129 PolarHBondContact O-N 2.94Å; G127-N129 PolarHBondContact O-ND2 2.78Å; G127-N129 VanDerWaalsContact O-ND2 3.13Å
128A89.5Confident89.9Confident9 Ų931.8 Ų31.87%0.07418%0.184CC..SBendtrans48.141-176.700000114.3F67 R68 D125 P126 L145F67-A128 HydrophobicContact CD2-CB 4.2Å; R68-A128 VanDerWaalsContact O-CB 3.24Å; R68-A128 WeakPolarHBondContact O-CB 3.46Å; D125-A128 WeakPolarHBondContact O-CA 3.32Å; D125-A128 PolarHBondContact O-N 3.14Å; D125-A128 PolarHBondContact OD2-N 2.89Å; P126-A128 VanDerWaalsContact C-N 3.28Å; A128-L145 HydrophobicContact CB-CD1 4.24Å; A128-L145 WeakPolarHBondContact O-CB 3.35Å; A128-L145 WeakPolarHBondContact O-CD1 3.46Å
129N89.6Confident90.6Very high27 Ų2724.8 Ų24.814%0.14415%0.152CC..SBendtrans-95.5-39.1175.2-57.7-79000112.8K70 D125 G127 L145 Q146K70-N129 PolarHBondContact NZ-OD1 2.94Å; D125-N129 VanDerWaalsContact OD2-CB 3.22Å; D125-N129 WeakPolarHBondContact OD2-CB 3.33Å; D125-N129 PolarHBondContact OD2-N 2.86Å; D125-N129 PolarHBondContact OD2-ND2 3.19Å; G127-N129 VanDerWaalsContact C-N 3.27Å; G127-N129 PolarHBondContact O-N 2.94Å; G127-N129 PolarHBondContact O-ND2 2.78Å; G127-N129 VanDerWaalsContact O-ND2 3.13Å; N129-L145 PolarHBondContact O-N 3.3Å; N129-Q146 PolarHBondContact OD1-NE2 2.83Å
130Y91.9Very high91.3Very high24 Ų2423.2 Ų23.29%0.09414%0.136CC..EExtended strand (participates in β ladder)trans-133.9147.3-173.9-54.2-79.7000111.7D125 I142 I143 L144 P188 I207 G209 P212D125-Y130 WeakPolarHBondContact CB-O 3.41Å; D125-Y130 PolarHBondContact N-O 3.44Å; Y130-I142 HydrophobicContact CD1-CG2 3.91Å; Y130-I142 HydrophobicContact CG-CG2 4.44Å; Y130-I143 VanDerWaalsContact CA-O 3.3Å; Y130-I143 WeakPolarHBondContact CA-O 3.23Å; Y130-L144 HydrophobicContact CD1-CD1 4.34Å; Y130-L144 HydrophobicContact CD1-CG 3.85Å; Y130-L144 HydrophobicContact CE1-CD1 4.19Å; Y130-L144 HydrophobicContact CE1-CD2 3.91Å; Y130-L144 HydrophobicContact CE1-CG 3.68Å; Y130-P188 HydrophobicContact CD2-CB 4.06Å; Y130-P188 HydrophobicContact CD2-CG 3.87Å; Y130-P188 HydrophobicContact CE2-CB 4.41Å; Y130-P188 HydrophobicContact CE2-CG 3.89Å; Y130-I207 HydrophobicContact CD1-CG2 4.09Å; Y130-I207 HydrophobicContact CD2-CB 4.32Å; Y130-I207 HydrophobicContact CD2-CG2 3.98Å; Y130-I207 HydrophobicContact CE1-CG2 3.99Å; Y130-I207 HydrophobicContact CE2-CB 4.32Å; Y130-I207 HydrophobicContact CE2-CG2 3.88Å; Y130-I207 HydrophobicContact CG-CG2 4.1Å; Y130-G209 PolarHBondContact OH-O 2.84Å; Y130-G209 VanDerWaalsContact OH-O 3.12Å; Y130-P212 HydrophobicContact CE1-CB 4.27Å
131I94Very high91.7Very high0 Ų021.7 Ų21.70%013%0.129CC..EExtended strand (participates in β ladder)trans-112.9130.7158.9-55.3-173.9000107.5F78 V122 L123 I124 V133 I142 I143 L145F78-I131 HydrophobicContact CB-CD1 4.26Å; F78-I131 HydrophobicContact CD2-CD1 3.28Å; F78-I131 HydrophobicContact CE1-CG2 4.26Å; F78-I131 HydrophobicContact CE2-CD1 3.63Å; F78-I131 HydrophobicContact CE2-CG2 4.29Å; F78-I131 HydrophobicContact CG-CD1 3.77Å; F78-I131 HydrophobicContact CZ-CD1 4.37Å; F78-I131 HydrophobicContact CZ-CG2 4.06Å; V122-I131 HydrophobicContact CG1-CG2 3.88Å; L123-I131 CarbonylContact O-C 3.56Å; L123-I131 VanDerWaalsContact O-CA 3.32Å; L123-I131 WeakPolarHBondContact O-CA 3.27Å; I124-I131 HydrophobicContact CD1-CD1 4.02Å; I124-I131 HydrophobicContact CD1-CG1 4.43Å; I124-I131 HydrophobicContact CG1-CD1 4.14Å; I124-I131 HydrophobicContact CG1-CG1 4.02Å; I124-I131 HydrophobicContact CG1-CG2 4.23Å; I124-I131 HydrophobicContact CG2-CG1 4.19Å; I131-V133 HydrophobicContact CG2-CG2 4.04Å; I131-I142 CarbonylContact O-C 3.59Å; I131-I142 WeakPolarHBondContact O-CA 3.39Å; I131-I143 HydrophobicContact CB-CB 4.24Å; I131-I143 PolarHBondContact N-O 3.01Å; I131-I143 PolarHBondContact O-N 3.47Å; I131-L145 HydrophobicContact CD1-CD1 4.32Å; I131-L145 HydrophobicContact CD1-CD2 3.87Å; I131-L145 HydrophobicContact CD1-CG 4.39Å; I131-L145 HydrophobicContact CG1-CD1 3.85Å; I131-L145 HydrophobicContact CG1-CD2 4.06Å; I131-L145 HydrophobicContact CG1-CG 4.02Å
132V95.2Very high92Very high0 Ų020.4 Ų20.40%012%0.122CC..EExtended strand (participates in β ladder)trans-105.8127.2172.7-175.50000107.8V122 L123 L140 I142 F181 I207V122-V132 WeakPolarHBondContact CA-O 3.35Å; L123-V132 HydrophobicContact CB-CB 4.2Å; L123-V132 HydrophobicContact CD1-CB 4.33Å; L123-V132 HydrophobicContact CG-CB 4.44Å; L123-V132 PolarHBondContact N-O 2.97Å; L123-V132 PolarHBondContact O-N 3.31Å; V132-L140 HydrophobicContact CG1-CB 4.24Å; V132-L140 HydrophobicContact CG1-CD1 4.09Å; V132-L140 HydrophobicContact CG1-CD2 4.31Å; V132-L140 HydrophobicContact CG1-CG 4.45Å; V132-I142 HydrophobicContact CG2-CG1 4.45Å; V132-F181 HydrophobicContact CG2-CE2 4.13Å; V132-F181 HydrophobicContact CG2-CZ 3.84Å; V132-I207 HydrophobicContact CG2-CD1 3.55Å
133V94.8Very high91.9Very high0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-118.7121179.91760000109.1F78 L80 V122 I131 L135 K141 I143F78-V133 HydrophobicContact CZ-CG2 4.22Å; L80-V133 HydrophobicContact CD1-CG1 3.98Å; L80-V133 HydrophobicContact CD2-CG1 3.77Å; V122-V133 HydrophobicContact CG2-CG2 4.44Å; I131-V133 HydrophobicContact CG2-CG2 4.04Å; V133-L135 HydrophobicContact CG1-CB 4.22Å; V133-K141 HydrophobicContact CB-CB 4.18Å; V133-K141 PolarHBondContact N-O 3.39Å; V133-K141 PolarHBondContact O-N 2.97Å; V133-I143 HydrophobicContact CG2-CD1 4.29Å
134R93.4Very high91.7Very high23 Ų2319.5 Ų19.59%0.08712%0.116CC..EExtended strand (participates in β ladder)trans-98.9104.2171.6-178.5-158.3165.5-176.1-5108.6I116 G119 D121 L140 I176 V177 M179I116-R134 HydrophobicContact CD1-CG 4.08Å; G119-R134 PolarHBondContact O-NE 3.02Å; D121-R134 HydrophobicContact CB-CB 3.97Å; D121-R134 PolarHBondContact N-O 2.92Å; D121-R134 PolarHBondContact O-N 2.87Å; D121-R134 WeakPolarHBondContact OD2-CD 3.38Å; D121-R134 IonicContact OD2-CZ 3.2Å; D121-R134 IonicContact OD2-NE 3.19Å; D121-R134 IonicContact OD2-NH1 3.61Å; D121-R134 PolarHBondContact OD2-NH1 2.99Å; R134-L140 HydrophobicContact CB-CD2 3.99Å; R134-L140 HydrophobicContact CG-CD2 4.25Å; R134-I176 VanDerWaalsContact CZ-O 3.32Å; R134-I176 PolarHBondContact NH1-O 3.04Å; R134-I176 PolarHBondContact NH2-O 3.34Å; R134-V177 PolarHBondContact NH1-O 3.06Å; R134-M179 HydrophobicContact CB-SD 4.31Å; R134-M179 HydrophobicContact CG-SD 4.49Å
135L91Very high91.3Very high1 Ų119.2 Ų19.21%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-127.1-14.2179.6-168.869.7000112.6L80 A84 V108 I115 I116 F120 V133L80-L135 HydrophobicContact CD2-CD1 4.48Å; A84-L135 HydrophobicContact CB-CD2 3.51Å; V108-L135 HydrophobicContact CG2-CD2 3.86Å; I115-L135 VanDerWaalsContact CA-O 3.3Å; I115-L135 WeakPolarHBondContact CA-O 3.17Å; I115-L135 HydrophobicContact CG2-CD1 4.47Å; I116-L135 PolarHBondContact N-O 3.34Å; F120-L135 HydrophobicContact CD1-CD1 3.55Å; F120-L135 HydrophobicContact CE1-CD1 3.61Å; F120-L135 HydrophobicContact CG-CD1 4.48Å; V133-L135 HydrophobicContact CG1-CB 4.22Å
136Y91.4Very high90.3Very high6 Ų625.1 Ų25.12%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-134.1144.9-166.1-67-72.1000111.5E109 D110 A113 R114 I115 G138 L139 K141E109-Y136 WeakPolarHBondContact CA-OH 3.39Å; D110-Y136 HydrophobicContact CB-CD2 4.4Å; D110-Y136 HydrophobicContact CB-CE1 4.22Å; D110-Y136 HydrophobicContact CB-CE2 3.87Å; D110-Y136 PolarHBondContact N-OH 2.92Å; A113-Y136 HydrophobicContact CB-CD1 3.37Å; A113-Y136 HydrophobicContact CB-CE1 3.95Å; A113-Y136 HydrophobicContact CB-CG 3.77Å; R114-Y136 WeakPolarHBondContact O-CA 3.25Å; I115-Y136 HydrophobicContact CB-CE1 4.46Å; I115-Y136 HydrophobicContact CD1-CE1 4.42Å; I115-Y136 HydrophobicContact CG1-CD1 4.02Å; I115-Y136 HydrophobicContact CG1-CE1 3.43Å; I115-Y136 VanDerWaalsContact CG1-CE1 3.43Å; Y136-G138 PolarHBondContact O-N 3.09Å; Y136-L139 HydrophobicContact CD2-CD2 4.35Å; Y136-L139 PolarHBondContact O-N 2.92Å; Y136-K141 HydrophobicContact CD2-CG 4.34Å; Y136-K141 HydrophobicContact CE2-CG 4.44Å
137H88.6Confident88.9Confident94 Ų9424.6 Ų24.644%0.43514%0.139SC..THydrogen-bonded Turntrans-63.5128.4172.2-70.5-78.5000111R114 L139R114-H137 PolarHBondContact O-N 2.84Å; R114-H137 VanDerWaalsContact O-N 3.13Å; H137-L139 PolarHBondContact O-N 2.89Å
138G89.6Confident87.8Confident29 Ų2923.8 Ų23.830%0.29913%0.127SC..THydrogen-bonded Turntrans66.415.7177.200000115.3Y136 I171Y136-G138 PolarHBondContact O-N 3.09Å; G138-I171 PolarHBondContact O-N 2.8Å; G138-I171 VanDerWaalsContact O-N 3.15Å
139L92.4Very high86.1Confident20 Ų2025.7 Ų25.711%0.10515%0.148CC..EExtended strand (participates in β ladder)trans-145.5124.5-177.3-167.781.7000112.9A113 Y136 H137 V169 R170A113-L139 HydrophobicContact CB-CD2 4.4Å; Y136-L139 HydrophobicContact CD2-CD2 4.35Å; Y136-L139 PolarHBondContact O-N 2.92Å; H137-L139 PolarHBondContact O-N 2.89Å; L139-V169 WeakPolarHBondContact CD1-O 3.39Å; L139-R170 HydrophobicContact CD1-CG 4.07Å
140L93.7Very high83.8Confident1 Ų134.1 Ų34.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-98.9138.2168.5-61.6179.5000110.2V132 R134 V169 I171 M179 F190 L214V132-L140 HydrophobicContact CG1-CB 4.24Å; V132-L140 HydrophobicContact CG1-CD1 4.09Å; V132-L140 HydrophobicContact CG1-CD2 4.31Å; V132-L140 HydrophobicContact CG1-CG 4.45Å; R134-L140 HydrophobicContact CB-CD2 3.99Å; R134-L140 HydrophobicContact CG-CD2 4.25Å; L140-V169 PolarHBondContact N-O 2.89Å; L140-V169 PolarHBondContact O-N 2.89Å; L140-I171 HydrophobicContact CD1-CD1 3.81Å; L140-I171 HydrophobicContact CG-CD1 4.35Å; L140-I171 HydrophobicContact CG-CG2 4.49Å; L140-M179 HydrophobicContact CD1-CE 3.93Å; L140-M179 HydrophobicContact CD2-CE 4.1Å; L140-M179 HydrophobicContact CD2-SD 4.18Å; L140-F190 HydrophobicContact CD1-CE2 4.39Å; L140-F190 HydrophobicContact CD1-CZ 3.89Å; L140-L214 HydrophobicContact CD1-CD1 4.26Å
141K93.5Very high81.4Confident9 Ų942.1 Ų42.14%0.03922%0.222CC..EExtended strand (participates in β ladder)trans-100.1120.1171.4-69.7-77-178.3175.40108.5V108 D110 V133 Y136 Y167 S168V108-K141 HydrophobicContact CB-CG 4.32Å; V108-K141 VanDerWaalsContact O-CE 3.29Å; V108-K141 WeakPolarHBondContact O-CE 3.43Å; D110-K141 IonicContact OD2-NZ 2.7Å; D110-K141 PolarHBondContact OD2-NZ 3.02Å; V133-K141 HydrophobicContact CB-CB 4.18Å; V133-K141 PolarHBondContact N-O 3.39Å; V133-K141 PolarHBondContact O-N 2.97Å; Y136-K141 HydrophobicContact CD2-CG 4.34Å; Y136-K141 HydrophobicContact CE2-CG 4.44Å; K141-Y167 WeakPolarHBondContact CA-O 3.23Å; K141-S168 WeakPolarHBondContact CE-OG 3.42Å; K141-S168 PolarHBondContact NZ-OG 3.15Å
142I93.9Very high78.8Confident0 Ų047.7 Ų47.70%025%0.25CS..EExtended strand (participates in β ladder)trans-108.7127.5179.3-53.2-177.5000109.6Y130 I131 V132 T166 Y167 V169 I207 P212 L214Y130-I142 HydrophobicContact CD1-CG2 3.91Å; Y130-I142 HydrophobicContact CG-CG2 4.44Å; I131-I142 CarbonylContact O-C 3.59Å; I131-I142 WeakPolarHBondContact O-CA 3.39Å; V132-I142 HydrophobicContact CG2-CG1 4.45Å; I142-T166 CarbonylContact O-C 3.56Å; I142-T166 WeakPolarHBondContact O-CA 3.45Å; I142-Y167 PolarHBondContact N-O 3.26Å; I142-Y167 PolarHBondContact O-N 2.86Å; I142-V169 HydrophobicContact CD1-CB 4.39Å; I142-V169 HydrophobicContact CD1-CG2 3.75Å; I142-V169 HydrophobicContact CG1-CG2 4.25Å; I142-I207 HydrophobicContact CD1-CG2 4.48Å; I142-P212 HydrophobicContact CB-CB 4.43Å; I142-P212 HydrophobicContact CB-CG 3.87Å; I142-P212 HydrophobicContact CD1-CB 4.05Å; I142-P212 HydrophobicContact CD1-CG 4.18Å; I142-P212 HydrophobicContact CG2-CB 3.97Å; I142-P212 HydrophobicContact CG2-CG 3.77Å; I142-L214 HydrophobicContact CD1-CD2 4.26Å
143I92.2Very high76Confident3 Ų350.7 Ų50.72%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-108133.1176.8-61164000108.4F78 V108 Y130 I131 V133 V164 T166F78-I143 HydrophobicContact CE2-CD1 4.07Å; F78-I143 HydrophobicContact CZ-CD1 4.17Å; V108-I143 HydrophobicContact CG1-CD1 4.22Å; Y130-I143 VanDerWaalsContact CA-O 3.3Å; Y130-I143 WeakPolarHBondContact CA-O 3.23Å; I131-I143 HydrophobicContact CB-CB 4.24Å; I131-I143 PolarHBondContact N-O 3.01Å; I131-I143 PolarHBondContact O-N 3.47Å; V133-I143 HydrophobicContact CG2-CD1 4.29Å; I143-V164 HydrophobicContact CB-CG1 4.26Å; I143-V164 HydrophobicContact CD1-CG1 4.02Å; I143-V164 HydrophobicContact CG1-CG1 3.82Å; I143-V164 HydrophobicContact CG2-CG1 3.48Å; I143-V164 VanDerWaalsContact CG2-CG1 3.48Å; I143-T166 HydrophobicContact CG1-CG2 3.92Å
144L89.2Confident73.2Confident18 Ų1856.8 Ų56.89%0.09432%0.319CS..EExtended strand (participates in β ladder)trans-92124171.4-80.491000111.6Y130 Y167 P212Y130-L144 HydrophobicContact CD1-CD1 4.34Å; Y130-L144 HydrophobicContact CD1-CG 3.85Å; Y130-L144 HydrophobicContact CE1-CD1 4.19Å; Y130-L144 HydrophobicContact CE1-CD2 3.91Å; Y130-L144 HydrophobicContact CE1-CG 3.68Å; L144-Y167 HydrophobicContact CD1-CD2 3.63Å; L144-Y167 HydrophobicContact CD1-CE2 3.46Å; L144-Y167 VanDerWaalsContact CD1-CE2 3.46Å; L144-P212 HydrophobicContact CD1-CG 4.12Å
145L84.9Confident70.1Confident18 Ų1863 Ų639%0.09435%0.354CS..G310 helixtrans-81.5-21.6-179.5-71.9172.3000113.8F67 I88 I124 A128 N129 I131 C147 I148F67-L145 HydrophobicContact CD2-CD1 4.17Å; F67-L145 HydrophobicContact CE2-CD1 3.81Å; F67-L145 HydrophobicContact CE2-CD2 4.05Å; F67-L145 HydrophobicContact CZ-CD2 4.11Å; I88-L145 HydrophobicContact CD1-CD2 4Å; I124-L145 HydrophobicContact CG2-CD1 4.35Å; A128-L145 HydrophobicContact CB-CD1 4.24Å; A128-L145 WeakPolarHBondContact O-CB 3.35Å; A128-L145 WeakPolarHBondContact O-CD1 3.46Å; N129-L145 PolarHBondContact O-N 3.3Å; I131-L145 HydrophobicContact CD1-CD1 4.32Å; I131-L145 HydrophobicContact CD1-CD2 3.87Å; I131-L145 HydrophobicContact CD1-CG 4.39Å; I131-L145 HydrophobicContact CG1-CD1 3.85Å; I131-L145 HydrophobicContact CG1-CD2 4.06Å; I131-L145 HydrophobicContact CG1-CG 4.02Å; L145-C147 PolarHBondContact O-N 2.93Å; L145-I148 HydrophobicContact CD2-CD1 3.67Å; L145-I148 WeakPolarHBondContact O-CG1 3.06Å; L145-I148 PolarHBondContact O-N 2.88Å
146Q71.6Confident67.4Low135 Ų13571 Ų7163%0.63139%0.389SS*.G310 helixtrans-63.9-4.8-177.3-67.8-174.8200115N129N129-Q146 PolarHBondContact OD1-NE2 2.83Å
147C58.2Low64.7Low67 Ų6778.4 Ų78.445%0.45343%0.428SS..G310 helixtrans-104.13.8-179.8-64.80000113.7L145 G149 W162L145-C147 PolarHBondContact O-N 2.93Å; C147-G149 PolarHBondContact O-N 3.17Å; C147-W162 HydrophobicContact CB-CZ2 3.94Å; C147-W162 PolarHBondContact O-NE1 2.94Å
148I64.5Low62Low15 Ų1580.7 Ų80.78%0.07744%0.444CS..SBendtrans-91.381.9-171.5-54.1-170.7000111.2R69 I88 V103 A104 L145 W162R69-I148 PolarHBondContact NH2-O 3.29Å; I88-I148 HydrophobicContact CD1-CD1 3.4Å; V103-I148 HydrophobicContact CG1-CG2 4.28Å; A104-I148 HydrophobicContact CB-CD1 4.33Å; A104-I148 HydrophobicContact CB-CG2 4.24Å; L145-I148 HydrophobicContact CD2-CD1 3.67Å; L145-I148 WeakPolarHBondContact O-CG1 3.06Å; L145-I148 PolarHBondContact O-N 2.88Å; I148-W162 HydrophobicContact CD1-CH2 3.65Å; I148-W162 HydrophobicContact CD1-CZ2 4.44Å; I148-W162 HydrophobicContact CD1-CZ3 3.84Å; I148-W162 HydrophobicContact CG1-CH2 3.5Å; I148-W162 VanDerWaalsContact CG1-CH2 3.5Å; I148-W162 HydrophobicContact CG1-CZ2 3.79Å; I148-W162 HydrophobicContact CG1-CZ3 3.96Å
149G54.5Low59.5Low49 Ų4985.8 Ų85.851%0.50547%0.469SS..  trans92.9122.7156.700000117.3C147C147-G149 PolarHBondContact O-N 3.17Å
150E41.6Very low56.9Low204 Ų20491.9 Ų91.995%0.95350%0.502SS*.SBendtrans-116.74.8150.6-135.7-179.3-146.600111
151K41.9Very low54.7Low193 Ų19399.3 Ų99.384%0.83954%0.537SS*.  trans-120.8101.3178.2-77.8-168.1172.8-168.50110.9
152I38.3Very low52.6Low116 Ų116102.4 Ų102.460%0.59555%0.548SS*.  trans-107106.1157.4-62.3134.5000104.9R72R72-I152 VanDerWaalsContact NH2-CD1 3.32Å
153G37.1Very low50.7Low64 Ų64107.5 Ų107.566%0.6658%0.579SS**  trans-165.4134.3-174.900000111D155G153-D155 PolarHBondContact O-N 2.99Å
154T34.6Very low49.4Very low128 Ų128108.1 Ų108.179%0.78558%0.583SS**  trans-78.721.4-168.944.10000114.8F156T154-F156 PolarHBondContact O-N 2.82Å
155D30Very low48.7Very low154 Ų154110.8 Ų110.882%0.82460%0.598SS**  trans-78.674.6178.1-73.5-21.9000110.8G153 L157G153-D155 PolarHBondContact O-N 2.99Å; D155-L157 PolarHBondContact O-N 3.08Å
156F34Very low48.7Very low168 Ų168112.3 Ų112.374%0.73761%0.608SS**THydrogen-bonded Turntrans-59.697.2164.8-80-92.1000109.8T154 V1248T154-F156 PolarHBondContact O-N 2.82Å; F156-V1248 HydrophobicContact CE1-CG2 4.19Å
157L34.3Very low49.7Very low162 Ų162109.4 Ų109.485%0.84859%0.591SS**THydrogen-bonded Turntrans-174.7-19.3149.8-103.3159.1000114.5D155 T159D155-L157 PolarHBondContact O-N 3.08Å; L157-T159 PolarHBondContact O-N 2.82Å
158D32.8Very low51.2Low142 Ų142109.2 Ų109.276%0.75959%0.591SS**  trans-85.999.1178.1-93.4-8.4000112.1N160D158-N160 PolarHBondContact O-N 2.85Å
159T36.9Very low52.6Low136 Ų136109.7 Ų109.783%0.83459%0.594SS**  trans-70.533.517834.70000115.1L157 Q161L157-T159 PolarHBondContact O-N 2.82Å; T159-Q161 PolarHBondContact O-N 3.18Å
160N36.7Very low54.4Low148 Ų148117.8 Ų117.879%0.79161%0.61SS**  trans-77.672.1166.3-80.5-36.5000110.1D158 W162D158-N160 PolarHBondContact O-N 2.85Å; N160-W162 PolarHBondContact O-N 2.93Å
161Q47.3Very low56.7Low157 Ų157108.8 Ų108.873%0.73457%0.568SS**  trans-50.2122.9166.7-76.9179.8-20.100109.3T159 T163T159-Q161 PolarHBondContact O-N 3.18Å; Q161-T163 PolarHBondContact O-N 2.8Å
162W49.8Very low58.9Low73 Ų73108.2 Ų108.228%0.27757%0.568SS.*  trans-67.598.8172-178.379.9000109A104 C147 I148 N160 V164A104-W162 HydrophobicContact CB-CE3 3.7Å; A104-W162 HydrophobicContact CB-CZ3 3.8Å; C147-W162 HydrophobicContact CB-CZ2 3.94Å; C147-W162 PolarHBondContact O-NE1 2.94Å; I148-W162 HydrophobicContact CD1-CH2 3.65Å; I148-W162 HydrophobicContact CD1-CZ2 4.44Å; I148-W162 HydrophobicContact CD1-CZ3 3.84Å; I148-W162 HydrophobicContact CG1-CH2 3.5Å; I148-W162 VanDerWaalsContact CG1-CH2 3.5Å; I148-W162 HydrophobicContact CG1-CZ2 3.79Å; I148-W162 HydrophobicContact CG1-CZ3 3.96Å; N160-W162 PolarHBondContact O-N 2.93Å; W162-V164 HydrophobicContact CE3-CB 4.36Å; W162-V164 HydrophobicContact CE3-CG2 3.94Å; W162-V164 HydrophobicContact CH2-CB 4.33Å; W162-V164 HydrophobicContact CH2-CG1 3.99Å; W162-V164 HydrophobicContact CZ3-CB 3.87Å; W162-V164 HydrophobicContact CZ3-CG1 3.82Å; W162-V164 HydrophobicContact CZ3-CG2 3.66Å; W162-V164 PolarHBondContact O-N 3.11Å
163T54.5Low61.4Low108 Ų108103.1 Ų103.166%0.66354%0.542SS*.  trans-63.9110.9170.548.90000108.6Q161 N165Q161-T163 PolarHBondContact O-N 2.8Å; T163-N165 PolarHBondContact O-N 3.39Å; T163-N165 VanDerWaalsContact O-N 3.08Å
164V65Low63.4Low16 Ų16102.5 Ų102.510%0.09754%0.536CS..  trans-49.5116177.4-170.80000109.8V86 I143 W162 T166V86-V164 HydrophobicContact CG2-CG2 3.93Å; I143-V164 HydrophobicContact CB-CG1 4.26Å; I143-V164 HydrophobicContact CD1-CG1 4.02Å; I143-V164 HydrophobicContact CG1-CG1 3.82Å; I143-V164 HydrophobicContact CG2-CG1 3.48Å; I143-V164 VanDerWaalsContact CG2-CG1 3.48Å; W162-V164 HydrophobicContact CE3-CB 4.36Å; W162-V164 HydrophobicContact CE3-CG2 3.94Å; W162-V164 HydrophobicContact CH2-CB 4.33Å; W162-V164 HydrophobicContact CH2-CG1 3.99Å; W162-V164 HydrophobicContact CZ3-CB 3.87Å; W162-V164 HydrophobicContact CZ3-CG1 3.82Å; W162-V164 HydrophobicContact CZ3-CG2 3.66Å; W162-V164 PolarHBondContact O-N 3.11Å; V164-T166 HydrophobicContact CB-CG2 4.2Å; V164-T166 HydrophobicContact CG1-CG2 3.89Å; V164-T166 WeakPolarHBondContact O-CG2 3.39Å; V164-T166 PolarHBondContact O-N 2.67Å
165N74.4Confident65.9Low74 Ų74100.5 Ų100.540%0.39652%0.52SS..  trans-69.596.7176.8-84-21.6000109.2T163 Y167T163-N165 PolarHBondContact O-N 3.39Å; T163-N165 VanDerWaalsContact O-N 3.08Å; N165-Y167 HydrophobicContact CB-CE2 4.43Å
166T85.6Confident68.9Low49 Ų4993.6 Ų93.630%0.30148%0.483SS..EExtended strand (participates in β ladder)trans-105.2137.8-176.752.60000110.5V108 I142 I143 V164V108-T166 HydrophobicContact CG1-CG2 3.82Å; I142-T166 CarbonylContact O-C 3.56Å; I142-T166 WeakPolarHBondContact O-CA 3.45Å; I143-T166 HydrophobicContact CG1-CG2 3.92Å; V164-T166 HydrophobicContact CB-CG2 4.2Å; V164-T166 HydrophobicContact CG1-CG2 3.89Å; V164-T166 WeakPolarHBondContact O-CG2 3.39Å; V164-T166 PolarHBondContact O-N 2.67Å
167Y90.8Very high71.6Confident74 Ų7488 Ų8829%0.2946%0.463SS..EExtended strand (participates in β ladder)trans-119.2123.2177.2-66.3-94.1000109.6K141 I142 L144 N165 V169 E211 P212K141-Y167 WeakPolarHBondContact CA-O 3.23Å; I142-Y167 PolarHBondContact N-O 3.26Å; I142-Y167 PolarHBondContact O-N 2.86Å; L144-Y167 HydrophobicContact CD1-CD2 3.63Å; L144-Y167 HydrophobicContact CD1-CE2 3.46Å; L144-Y167 VanDerWaalsContact CD1-CE2 3.46Å; N165-Y167 HydrophobicContact CB-CE2 4.43Å; Y167-V169 PolarHBondContact O-N 3.29Å; Y167-E211 HydrophobicContact CD1-CB 4.48Å; Y167-E211 HydrophobicContact CE1-CB 4.11Å; Y167-E211 HydrophobicContact CE1-CG 3.92Å; Y167-P212 HydrophobicContact CD1-CG 4.47Å; Y167-P212 HydrophobicContact CD2-CG 3.94Å; Y167-P212 HydrophobicContact CG-CG 3.76Å
168S91.7Very high74.5Confident64 Ų6481.5 Ų81.545%0.44843%0.429SS..EExtended strand (participates in β ladder)trans-81109.7172.6-72.10000109.4D110 K141D110-S168 PolarHBondContact OD2-OG 3.48Å; K141-S168 WeakPolarHBondContact CE-OG 3.42Å; K141-S168 PolarHBondContact NZ-OG 3.15Å
169V92.9Very high77.4Confident24 Ų2475 Ų7515%0.14539%0.394CS..EExtended strand (participates in β ladder)trans-110.8126.7173.8-170.80000109.5L139 L140 I142 Y167 P212 L214L139-V169 WeakPolarHBondContact CD1-O 3.39Å; L140-V169 PolarHBondContact N-O 2.89Å; L140-V169 PolarHBondContact O-N 2.89Å; I142-V169 HydrophobicContact CD1-CB 4.39Å; I142-V169 HydrophobicContact CD1-CG2 3.75Å; I142-V169 HydrophobicContact CG1-CG2 4.25Å; Y167-V169 PolarHBondContact O-N 3.29Å; V169-P212 WeakPolarHBondContact CG2-O 3.33Å; V169-L214 HydrophobicContact CG1-CD1 3.8Å; V169-L214 HydrophobicContact CG1-CG 3.93Å
170R91.5Very high80.2Confident220 Ų22069 Ų6983%0.8336%0.358SS*.EExtended strand (participates in β ladder)trans-73.1146.3174-80.4-175.5176.3144.51.2110.8L139L139-R170 HydrophobicContact CD1-CG 4.07Å
171I91.3Very high83Confident15 Ų1562.6 Ų62.68%0.07732%0.323CS..  trans-126.5141.5172-165.3158.3000108.4G138 L140 E173 I176 M192 Y205G138-I171 PolarHBondContact O-N 2.8Å; G138-I171 VanDerWaalsContact O-N 3.15Å; L140-I171 HydrophobicContact CD1-CD1 3.81Å; L140-I171 HydrophobicContact CG-CD1 4.35Å; L140-I171 HydrophobicContact CG-CG2 4.49Å; I171-E173 HydrophobicContact CG1-CB 4.28Å; I171-E173 WeakPolarHBondContact CG1-OE2 3.3Å; I171-I176 HydrophobicContact CD1-CD1 4.18Å; I171-I176 HydrophobicContact CG2-CD1 4.32Å; I171-M192 HydrophobicContact CD1-CE 3.96Å; I171-M192 HydrophobicContact CD1-SD 3.55Å; I171-M192 VanDerWaalsContact CD1-SD 3.55Å; I171-Y205 HydrophobicContact CD1-CE2 4.04Å; I171-Y205 HydrophobicContact CG1-CE2 4.41Å
172E88.2Confident85.1Confident181 Ų18155.7 Ų55.785%0.84629%0.291SS*.SBendtrans-84.4-26.2-176.8-63.7-175.8159.100111.3G174E172-G174 PolarHBondContact O-N 2.74Å
173E89.2Confident87Confident9 Ų956.4 Ų56.44%0.04229%0.294CS..  trans-70.1116176.8-66.169.9-136.100111.1I171 M192 Y194 K203 Y205I171-E173 HydrophobicContact CG1-CB 4.28Å; I171-E173 WeakPolarHBondContact CG1-OE2 3.3Å; E173-M192 HydrophobicContact CB-CE 3.45Å; E173-M192 VanDerWaalsContact CB-CE 3.45Å; E173-M192 HydrophobicContact CG-CE 3.76Å; E173-M192 HydrophobicContact CG-SD 4.46Å; E173-Y194 HydrophobicContact CB-CD1 4.2Å; E173-Y194 HydrophobicContact CB-CD2 3.97Å; E173-Y194 HydrophobicContact CB-CE2 4.43Å; E173-Y194 HydrophobicContact CB-CG 3.83Å; E173-Y194 HydrophobicContact CG-CD1 3.6Å; E173-Y194 HydrophobicContact CG-CD2 3.82Å; E173-Y194 HydrophobicContact CG-CE1 3.64Å; E173-Y194 HydrophobicContact CG-CE2 3.86Å; E173-Y194 HydrophobicContact CG-CG 3.69Å; E173-K203 HydrophobicContact CG-CD 4.3Å; E173-K203 WeakPolarHBondContact OE1-CD 3.46Å; E173-K203 WeakPolarHBondContact OE1-CE 3.46Å; E173-K203 IonicContact OE1-NZ 2.82Å; E173-K203 PolarHBondContact OE1-NZ 3.35Å; E173-Y205 VanDerWaalsContact CD-OH 3.32Å; E173-Y205 PolarHBondContact OE1-OH 3.24Å; E173-Y205 WeakPolarHBondContact OE2-CE2 3.4Å; E173-Y205 PolarHBondContact OE2-OH 2.85Å
174G79.6Confident88.4Confident51 Ų5153.9 Ų53.953%0.52629%0.29SS..  trans-80.6-65.5-172.700000114.5E172 I176E172-G174 PolarHBondContact O-N 2.74Å; G174-I176 PolarHBondContact O-N 3.22Å
175N87.9Confident89.4Confident85 Ų8556 Ų5646%0.45530%0.297SS..EExtended strand (participates in β ladder)trans-93.176.1-175.5-164.932.7000111.2Y194 E195N175-Y194 CarbonylContact O-C 3.43Å; N175-Y194 VanDerWaalsContact O-CA 3.27Å; N175-Y194 WeakPolarHBondContact O-CA 3.46Å; N175-E195 HydrophobicContact CB-CB 4.17Å; N175-E195 PolarHBondContact ND2-OE2 2.86Å; N175-E195 PolarHBondContact O-N 2.94Å
176I92.4Very high90Very high10 Ų1058.2 Ų58.25%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-66.6134.1175.3-52.2-175.8000109R134 I171 G174 M179 M192 I193R134-I176 VanDerWaalsContact CZ-O 3.32Å; R134-I176 PolarHBondContact NH1-O 3.04Å; R134-I176 PolarHBondContact NH2-O 3.34Å; I171-I176 HydrophobicContact CD1-CD1 4.18Å; I171-I176 HydrophobicContact CG2-CD1 4.32Å; G174-I176 PolarHBondContact O-N 3.22Å; I176-M179 HydrophobicContact CD1-SD 4.36Å; I176-M179 HydrophobicContact CG2-CG 3.62Å; I176-M179 HydrophobicContact CG2-SD 4.01Å; I176-M192 HydrophobicContact CB-CE 4.37Å; I176-M192 HydrophobicContact CD1-CE 3.61Å; I176-M192 HydrophobicContact CG1-CE 3.57Å; I176-M192 HydrophobicContact CG2-CE 4.12Å; I176-I193 WeakPolarHBondContact CG2-O 3.49Å
177V92Very high90.3Very high51 Ų5159 Ų5931%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-92.3-63176.4-179.30000109.3R134 I193 L200R134-V177 PolarHBondContact NH1-O 3.06Å; V177-I193 HydrophobicContact CB-CB 4.07Å; V177-I193 HydrophobicContact CB-CG2 3.87Å; V177-I193 HydrophobicContact CG2-CG2 4.05Å; V177-I193 PolarHBondContact N-O 2.89Å; V177-L200 HydrophobicContact CG2-CD2 3.82Å
178D93.5Very high90.4Very high25 Ų2556.4 Ų56.413%0.13431%0.312CS..EExtended strand (participates in β ladder)trans-145.9161.8-178.4-17322000111.1M192 I193 K229 L230 L231D178-M192 CarbonylContact O-C 3.54Å; D178-M192 WeakPolarHBondContact O-CA 3.5Å; D178-I193 PolarHBondContact O-N 3.14Å; D178-K229 WeakPolarHBondContact CB-O 3.45Å; D178-L230 WeakPolarHBondContact OD2-CA 3.45Å; D178-L231 PolarHBondContact OD2-N 3.12Å
179M94.9Very high90.6Very high5 Ų553.4 Ų53.43%0.02529%0.291CS..EExtended strand (participates in β ladder)trans-145.4143.6-177.5-50.4179.468.600112L123 R134 L140 I176 F190 A191 M192L123-M179 HydrophobicContact CD1-CB 3.58Å; L123-M179 HydrophobicContact CD1-CE 4.03Å; L123-M179 HydrophobicContact CD1-SD 4.41Å; L123-M179 HydrophobicContact CD2-CB 4.06Å; L123-M179 WeakPolarHBondContact CD2-O 3.41Å; L123-M179 HydrophobicContact CG-CB 4.35Å; R134-M179 HydrophobicContact CB-SD 4.31Å; R134-M179 HydrophobicContact CG-SD 4.49Å; L140-M179 HydrophobicContact CD1-CE 3.93Å; L140-M179 HydrophobicContact CD2-CE 4.1Å; L140-M179 HydrophobicContact CD2-SD 4.18Å; I176-M179 HydrophobicContact CD1-SD 4.36Å; I176-M179 HydrophobicContact CG2-CG 3.62Å; I176-M179 HydrophobicContact CG2-SD 4.01Å; M179-F190 HydrophobicContact CE-CD2 3.63Å; M179-F190 HydrophobicContact CE-CE2 3.32Å; M179-F190 HydrophobicContact CE-CZ 4.1Å; M179-A191 WeakPolarHBondContact CA-O 3.28Å; M179-M192 HydrophobicContact CB-CB 4.44Å; M179-M192 HydrophobicContact CE-CB 4.32Å; M179-M192 HydrophobicContact CG-CB 3.9Å
180A94.8Very high90.7Very high10 Ų1052.3 Ų52.38%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-151.5149170.300000113.8F190 A191 L231 P233A180-F190 CarbonylContact O-C 3.56Å; A180-F190 VanDerWaalsContact O-CA 3.23Å; A180-F190 WeakPolarHBondContact O-CA 3.38Å; A180-F190 WeakPolarHBondContact O-CB 3.39Å; A180-A191 PolarHBondContact N-O 3.45Å; A180-A191 PolarHBondContact O-N 3.25Å; A180-L231 HydrophobicContact CB-CD2 3.6Å; A180-P233 HydrophobicContact CB-CB 4.41Å; A180-P233 HydrophobicContact CB-CG 3.9Å
181F95Very high90.8Very high14 Ų1441.8 Ų41.86%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-68.9130.9167.9-86-73.7000110.7L123 I124 D125 P126 V132 P188 T189 F190 I207 P233L123-F181 HydrophobicContact CB-CD2 3.58Å; L123-F181 HydrophobicContact CB-CE2 3.56Å; I124-F181 WeakPolarHBondContact O-CD2 3.5Å; D125-F181 HydrophobicContact CB-CE1 4.17Å; D125-F181 HydrophobicContact CB-CE2 4.14Å; D125-F181 HydrophobicContact CB-CZ 3.97Å; D125-F181 VanDerWaalsContact N-CE2 3.29Å; P126-F181 HydrophobicContact CG-CB 4.43Å; V132-F181 HydrophobicContact CG2-CE2 4.13Å; V132-F181 HydrophobicContact CG2-CZ 3.84Å; F181-P188 HydrophobicContact CD1-CB 4.45Å; F181-P188 HydrophobicContact CE1-CB 3.85Å; F181-T189 WeakPolarHBondContact CA-O 3.26Å; F181-T189 WeakPolarHBondContact CD1-O 3.34Å; F181-F190 HydrophobicContact CD1-CB 4.03Å; F181-F190 HydrophobicContact CE1-CB 4.24Å; F181-F190 HydrophobicContact CE1-CD1 4.36Å; F181-F190 HydrophobicContact CG-CB 4.33Å; F181-I207 HydrophobicContact CE1-CD1 3.98Å; F181-I207 HydrophobicContact CZ-CD1 3.77Å; F181-P233 WeakPolarHBondContact O-CB 3.46Å; F181-P233 WeakPolarHBondContact O-CG 3.36Å
182I92.9Very high90.9Very high12 Ų1241.1 Ų41.16%0.06224%0.241CC..  trans-107.5140.3-174.962.3172.5000112.1Y185 T189 A191 T204 L219 P233 V241I182-Y185 HydrophobicContact CD1-CD2 4.02Å; I182-Y185 HydrophobicContact CD1-CE2 3.4Å; I182-Y185 VanDerWaalsContact CD1-CE2 3.4Å; I182-Y185 HydrophobicContact CG1-CD2 3.92Å; I182-Y185 HydrophobicContact CG1-CE2 3.79Å; I182-T189 HydrophobicContact CD1-CG2 3.83Å; I182-T189 HydrophobicContact CG1-CG2 3.85Å; I182-T189 WeakPolarHBondContact CG1-O 3.24Å; I182-T189 PolarHBondContact N-O 3.31Å; I182-A191 HydrophobicContact CD1-CB 4.49Å; I182-A191 HydrophobicContact CG2-CB 3.7Å; I182-T204 HydrophobicContact CD1-CG2 3.66Å; I182-L219 HydrophobicContact CD1-CD2 4.17Å; I182-P233 HydrophobicContact CG2-CB 4.32Å; I182-V241 HydrophobicContact CB-CG1 4.37Å; I182-V241 HydrophobicContact CG2-CG1 3.42Å; I182-V241 VanDerWaalsContact CG2-CG1 3.42Å
183Y89Confident91.3Very high88 Ų8832.5 Ų32.535%0.34520%0.201SC..THydrogen-bonded Turntrans-82.3157.1-176.5-59.1-86.2000112.5P126 P233 V234 P235P126-Y183 HydrophobicContact CB-CE1 4.09Å; P126-Y183 HydrophobicContact CG-CD1 4.43Å; P126-Y183 HydrophobicContact CG-CE1 3.8Å; Y183-P233 HydrophobicContact CD2-CB 4.05Å; Y183-P233 HydrophobicContact CE2-CB 3.95Å; Y183-P233 HydrophobicContact CE2-CG 4.17Å; Y183-V234 WeakPolarHBondContact CD2-O 3.5Å; Y183-P235 HydrophobicContact CD2-CB 4.18Å; Y183-P235 HydrophobicContact CE2-CB 4.13Å; Y183-P235 HydrophobicContact CG-CB 4.45Å
184G83.3Confident91.4Very high55 Ų5533.4 Ų33.457%0.56720%0.204SC*.THydrogen-bonded Turntrans102.7-8.1171.400000115.7
185Y86.9Confident92Very high61 Ų6134.1 Ų34.124%0.23919%0.193CC..  trans-92.6159.7179.6-64.6-95.5000112.2I182 T189 V217I182-Y185 HydrophobicContact CD1-CD2 4.02Å; I182-Y185 HydrophobicContact CD1-CE2 3.4Å; I182-Y185 VanDerWaalsContact CD1-CE2 3.4Å; I182-Y185 HydrophobicContact CG1-CD2 3.92Å; I182-Y185 HydrophobicContact CG1-CE2 3.79Å; Y185-T189 WeakPolarHBondContact CB-OG1 3.24Å; Y185-T189 HydrophobicContact CD1-CG2 4.36Å; Y185-T189 HydrophobicContact CD2-CG2 4.33Å; Y185-T189 HydrophobicContact CG-CG2 4.23Å; Y185-V217 HydrophobicContact CD1-CG1 4.47Å; Y185-V217 HydrophobicContact CE1-CG1 3.9Å
186S87.3Confident92.2Very high120 Ų12034.5 Ų34.584%0.83920%0.195SC*.SBendtrans-87.7-17.8179.555.10000114
187L91.4Very high92Very high66 Ų6642.6 Ų42.635%0.34623%0.233SC..SBendtrans-115.4160.2171.6-66.6172.6000108.1T189 E206L187-T189 PolarHBondContact O-N 2.96Å; L187-T189 VanDerWaalsContact O-N 3.11Å; L187-T189 PolarHBondContact O-OG1 3.13Å; L187-E206 HydrophobicContact CB-CG 4.12Å
188P93.7Very high91.7Very high18 Ų1847.3 Ų47.312%0.11726%0.256CS..  trans-62.3113171.4-26.239.1000110.5D125 Y130 F181 I207D125-P188 HydrophobicContact CB-CB 4.23Å; Y130-P188 HydrophobicContact CD2-CB 4.06Å; Y130-P188 HydrophobicContact CD2-CG 3.87Å; Y130-P188 HydrophobicContact CE2-CB 4.41Å; Y130-P188 HydrophobicContact CE2-CG 3.89Å; F181-P188 HydrophobicContact CD1-CB 4.45Å; F181-P188 HydrophobicContact CE1-CB 3.85Å; P188-I207 PolarHBondContact O-N 2.94Å
189T94.2Very high91.6Very high2 Ų248.8 Ų48.81%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-119.1130.1-177.5-50.70000109.2F181 I182 Y185 L187 Y205 E206 V217F181-T189 WeakPolarHBondContact CA-O 3.26Å; F181-T189 WeakPolarHBondContact CD1-O 3.34Å; I182-T189 HydrophobicContact CD1-CG2 3.83Å; I182-T189 HydrophobicContact CG1-CG2 3.85Å; I182-T189 WeakPolarHBondContact CG1-O 3.24Å; I182-T189 PolarHBondContact N-O 3.31Å; Y185-T189 WeakPolarHBondContact CB-OG1 3.24Å; Y185-T189 HydrophobicContact CD1-CG2 4.36Å; Y185-T189 HydrophobicContact CD2-CG2 4.33Å; Y185-T189 HydrophobicContact CG-CG2 4.23Å; L187-T189 PolarHBondContact O-N 2.96Å; L187-T189 VanDerWaalsContact O-N 3.11Å; L187-T189 PolarHBondContact O-OG1 3.13Å; T189-Y205 CarbonylContact C-O 3.55Å; T189-Y205 VanDerWaalsContact CA-O 3.31Å; T189-Y205 WeakPolarHBondContact CA-O 3.34Å; T189-E206 HydrophobicContact CG2-CG 4.12Å; T189-E206 WeakPolarHBondContact OG1-CG 3.44Å; T189-V217 HydrophobicContact CG2-CG2 4.35Å
190F95.1Very high91.6Very high0 Ų049.1 Ų49.10%027%0.268CS..EExtended strand (participates in β ladder)trans-114.7150.8169.467.6-92.5000111.2L123 L140 M179 A180 F181 M192 T204 Y205 I207 L214L123-F190 HydrophobicContact CD1-CB 4.33Å; L123-F190 HydrophobicContact CD1-CG 4.45Å; L140-F190 HydrophobicContact CD1-CE2 4.39Å; L140-F190 HydrophobicContact CD1-CZ 3.89Å; M179-F190 HydrophobicContact CE-CD2 3.63Å; M179-F190 HydrophobicContact CE-CE2 3.32Å; M179-F190 HydrophobicContact CE-CZ 4.1Å; A180-F190 CarbonylContact O-C 3.56Å; A180-F190 VanDerWaalsContact O-CA 3.23Å; A180-F190 WeakPolarHBondContact O-CA 3.38Å; A180-F190 WeakPolarHBondContact O-CB 3.39Å; F181-F190 HydrophobicContact CD1-CB 4.03Å; F181-F190 HydrophobicContact CE1-CB 4.24Å; F181-F190 HydrophobicContact CE1-CD1 4.36Å; F181-F190 HydrophobicContact CG-CB 4.33Å; F190-M192 HydrophobicContact CE2-SD 4.44Å; F190-T204 CarbonylContact O-C 3.48Å; F190-T204 WeakPolarHBondContact O-CA 3.27Å; F190-Y205 AromaticContact CE2-CD2 3.91Å; F190-Y205 HydrophobicContact CE2-CD2 3.91Å; F190-Y205 HydrophobicContact CE2-CG 4.44Å; F190-Y205 HydrophobicContact CZ-CD2 4.02Å; F190-Y205 HydrophobicContact CZ-CG 4.22Å; F190-Y205 PolarHBondContact N-O 2.97Å; F190-Y205 PolarHBondContact O-N 2.92Å; F190-I207 HydrophobicContact CD1-CD1 4.01Å; F190-I207 HydrophobicContact CD1-CG1 4.13Å; F190-I207 HydrophobicContact CE1-CD1 4.02Å; F190-I207 HydrophobicContact CE1-CG1 3.95Å; F190-L214 HydrophobicContact CE1-CD2 3.63Å; F190-L214 HydrophobicContact CZ-CD1 4.33Å; F190-L214 HydrophobicContact CZ-CD2 3.92Å
191A94.4Very high91.6Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-103.1156.3166.300000109.5M179 A180 I182 M202 K203 T204 L231M179-A191 WeakPolarHBondContact CA-O 3.28Å; A180-A191 PolarHBondContact N-O 3.45Å; A180-A191 PolarHBondContact O-N 3.25Å; I182-A191 HydrophobicContact CD1-CB 4.49Å; I182-A191 HydrophobicContact CG2-CB 3.7Å; A191-M202 HydrophobicContact CB-CE 4.34Å; A191-M202 HydrophobicContact CB-SD 4.33Å; A191-K203 CarbonylContact C-O 3.56Å; A191-K203 WeakPolarHBondContact CA-O 3.22Å; A191-T204 HydrophobicContact CB-CG2 3.65Å; A191-L231 HydrophobicContact CB-CD1 3.67Å; A191-L231 HydrophobicContact CB-CD2 3.98Å
192M94.1Very high91.5Very high0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-143.8144.6174.859179.8-73.300110.5I171 E173 I176 D178 M179 F190 Y194 M202 K203 Y205I171-M192 HydrophobicContact CD1-CE 3.96Å; I171-M192 HydrophobicContact CD1-SD 3.55Å; I171-M192 VanDerWaalsContact CD1-SD 3.55Å; E173-M192 HydrophobicContact CB-CE 3.45Å; E173-M192 VanDerWaalsContact CB-CE 3.45Å; E173-M192 HydrophobicContact CG-CE 3.76Å; E173-M192 HydrophobicContact CG-SD 4.46Å; I176-M192 HydrophobicContact CB-CE 4.37Å; I176-M192 HydrophobicContact CD1-CE 3.61Å; I176-M192 HydrophobicContact CG1-CE 3.57Å; I176-M192 HydrophobicContact CG2-CE 4.12Å; D178-M192 CarbonylContact O-C 3.54Å; D178-M192 WeakPolarHBondContact O-CA 3.5Å; M179-M192 HydrophobicContact CB-CB 4.44Å; M179-M192 HydrophobicContact CE-CB 4.32Å; M179-M192 HydrophobicContact CG-CB 3.9Å; F190-M192 HydrophobicContact CE2-SD 4.44Å; M192-Y194 HydrophobicContact CE-CD1 4.19Å; M192-Y194 HydrophobicContact CE-CG 4.38Å; M192-M202 CarbonylContact O-C 3.59Å; M192-M202 VanDerWaalsContact O-CA 3.26Å; M192-M202 WeakPolarHBondContact O-CA 3.21Å; M192-M202 WeakPolarHBondContact O-CG 3.01Å; M192-K203 HydrophobicContact CG-CB 4.16Å; M192-K203 WeakPolarHBondContact CG-O 3.46Å; M192-K203 PolarHBondContact N-O 3.16Å; M192-K203 PolarHBondContact O-N 3.05Å; M192-Y205 HydrophobicContact SD-CD2 3.96Å; M192-Y205 HydrophobicContact SD-CE2 3.71Å
193I94.8Very high91.5Very high0 Ų050.3 Ų50.30%027%0.271CS..EExtended strand (participates in β ladder)trans-95.5137.2165.9-56175.3000107.5I176 V177 D178 L200 H201 I224 L231 L243I176-I193 WeakPolarHBondContact CG2-O 3.49Å; V177-I193 HydrophobicContact CB-CB 4.07Å; V177-I193 HydrophobicContact CB-CG2 3.87Å; V177-I193 HydrophobicContact CG2-CG2 4.05Å; V177-I193 PolarHBondContact N-O 2.89Å; D178-I193 PolarHBondContact O-N 3.14Å; I193-L200 HydrophobicContact CG2-CD2 4.25Å; I193-H201 CarbonylContact C-O 3.38Å; I193-H201 WeakPolarHBondContact CA-O 3.19Å; I193-I224 HydrophobicContact CD1-CD1 4.41Å; I193-I224 HydrophobicContact CG1-CD1 4.28Å; I193-I224 HydrophobicContact CG2-CD1 3.88Å; I193-L231 HydrophobicContact CD1-CB 4.04Å; I193-L231 HydrophobicContact CD1-CD1 4.41Å; I193-L231 HydrophobicContact CG1-CB 4.29Å; I193-L231 HydrophobicContact CG1-CD1 3.85Å; I193-L243 HydrophobicContact CD1-CD2 3.79Å; I193-L243 HydrophobicContact CG1-CD2 4.06Å
194Y93.3Very high91.8Very high28 Ų2846.1 Ų46.111%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-142.8154170.273.1-80.1000111.6E173 N175 M192 D196 L200 H201 K203E173-Y194 HydrophobicContact CB-CD1 4.2Å; E173-Y194 HydrophobicContact CB-CD2 3.97Å; E173-Y194 HydrophobicContact CB-CE2 4.43Å; E173-Y194 HydrophobicContact CB-CG 3.83Å; E173-Y194 HydrophobicContact CG-CD1 3.6Å; E173-Y194 HydrophobicContact CG-CD2 3.82Å; E173-Y194 HydrophobicContact CG-CE1 3.64Å; E173-Y194 HydrophobicContact CG-CE2 3.86Å; E173-Y194 HydrophobicContact CG-CG 3.69Å; N175-Y194 CarbonylContact O-C 3.43Å; N175-Y194 VanDerWaalsContact O-CA 3.27Å; N175-Y194 WeakPolarHBondContact O-CA 3.46Å; M192-Y194 HydrophobicContact CE-CD1 4.19Å; M192-Y194 HydrophobicContact CE-CG 4.38Å; Y194-D196 HydrophobicContact CD2-CB 4.3Å; Y194-D196 HydrophobicContact CE2-CB 3.92Å; Y194-L200 CarbonylContact O-C 3.58Å; Y194-L200 WeakPolarHBondContact O-CA 3.38Å; Y194-H201 HydrophobicContact CD1-CB 4.05Å; Y194-H201 HydrophobicContact CE1-CB 3.48Å; Y194-H201 VanDerWaalsContact CE1-CB 3.48Å; Y194-H201 HydrophobicContact CE2-CB 4.2Å; Y194-H201 PolarHBondContact N-O 2.94Å; Y194-H201 PolarHBondContact O-N 2.97Å; Y194-K203 HydrophobicContact CE1-CB 4.1Å; Y194-K203 HydrophobicContact CE1-CD 4.37Å
195E92.4Very high92.3Very high66 Ų6644.5 Ų44.531%0.30823%0.231SC..EExtended strand (participates in β ladder)trans-97.9133173.4-168.8-172.9-165.800110.5N175 L198 V199 L200N175-E195 HydrophobicContact CB-CB 4.17Å; N175-E195 PolarHBondContact ND2-OE2 2.86Å; N175-E195 PolarHBondContact O-N 2.94Å; E195-L198 WeakPolarHBondContact OE1-CA 3.28Å; E195-V199 WeakPolarHBondContact CA-O 3.39Å; E195-L200 HydrophobicContact CB-CD2 3.7Å; E195-L200 HydrophobicContact CG-CD2 4.12Å
196D90.7Very high92.7Very high93 Ų9342.3 Ų42.350%0.49722%0.223SC..EExtended strand (participates in β ladder)trans-138.7135168.7-168.616.8000109.3Y194 L198 V199Y194-D196 HydrophobicContact CD2-CB 4.3Å; Y194-D196 HydrophobicContact CE2-CB 3.92Å; D196-L198 PolarHBondContact O-N 3.43Å; D196-V199 PolarHBondContact N-O 2.84Å; D196-V199 WeakPolarHBondContact O-CA 3.41Å; D196-V199 PolarHBondContact O-N 2.93Å; D196-V199 VanDerWaalsContact O-O 3.1Å
197E88.7Confident93Very high181 Ų18136.6 Ų36.685%0.84618%0.183SC*.THydrogen-bonded Turntrans4338-174.3-57.7-163.8157.500116V199E197-V199 VanDerWaalsContact C-N 3.3Å
198L85.6Confident93Very high150 Ų15038 Ų3879%0.78519%0.185SC*.THydrogen-bonded Turntrans6917.5-175.2-52168.2000115.4E195 D196E195-L198 WeakPolarHBondContact OE1-CA 3.28Å; D196-L198 PolarHBondContact O-N 3.43Å
199V92Very high92.6Very high55 Ų5539.1 Ų39.133%0.33320%0.199SC..EExtended strand (participates in β ladder)trans-116.1137.3175.7-176.10000109E195 D196 E197 H201E195-V199 WeakPolarHBondContact CA-O 3.39Å; D196-V199 PolarHBondContact N-O 2.84Å; D196-V199 WeakPolarHBondContact O-CA 3.41Å; D196-V199 PolarHBondContact O-N 2.93Å; D196-V199 VanDerWaalsContact O-O 3.1Å; E197-V199 VanDerWaalsContact C-N 3.3Å; V199-H201 WeakPolarHBondContact CG1-NE2 2.9Å; V199-H201 PolarHBondContact O-CD2 3.34Å
200L93.6Very high91.9Very high13 Ų1349.6 Ų49.67%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-88.5139.7175.4-66.5-179000111.1V177 I193 Y194 E195 S223 I224 P226 S228V177-L200 HydrophobicContact CG2-CD2 3.82Å; I193-L200 HydrophobicContact CG2-CD2 4.25Å; Y194-L200 CarbonylContact O-C 3.58Å; Y194-L200 WeakPolarHBondContact O-CA 3.38Å; E195-L200 HydrophobicContact CB-CD2 3.7Å; E195-L200 HydrophobicContact CG-CD2 4.12Å; L200-S223 CarbonylContact O-C 3.46Å; L200-S223 VanDerWaalsContact O-CA 3.23Å; L200-S223 WeakPolarHBondContact O-CA 3.42Å; L200-S223 PolarHBondContact O-N 2.93Å; L200-I224 HydrophobicContact CB-CD1 4.06Å; L200-I224 HydrophobicContact CB-CG1 3.55Å; L200-I224 WeakPolarHBondContact O-CG1 3.44Å; L200-I224 PolarHBondContact O-N 3.28Å; L200-P226 WeakPolarHBondContact CD1-O 3.29Å; L200-S228 VanDerWaalsContact CD1-O 3.31Å; L200-S228 WeakPolarHBondContact CD1-O 3.19Å
201H94.5Very high91.5Very high28 Ų2856.5 Ų56.513%0.1327%0.27CS..EExtended strand (participates in β ladder)trans-132.4150.6178.5-69.1-108.2000109.7I193 Y194 V199 D222 S223I193-H201 CarbonylContact C-O 3.38Å; I193-H201 WeakPolarHBondContact CA-O 3.19Å; Y194-H201 HydrophobicContact CD1-CB 4.05Å; Y194-H201 HydrophobicContact CE1-CB 3.48Å; Y194-H201 VanDerWaalsContact CE1-CB 3.48Å; Y194-H201 HydrophobicContact CE2-CB 4.2Å; Y194-H201 PolarHBondContact N-O 2.94Å; Y194-H201 PolarHBondContact O-N 2.97Å; V199-H201 WeakPolarHBondContact CG1-NE2 2.9Å; V199-H201 PolarHBondContact O-CD2 3.34Å; H201-D222 IonicContact CE1-OD1 2.72Å; H201-D222 WeakPolarHBondContact ND1-CA 3.42Å; H201-D222 IonicContact ND1-OD1 3.52Å; H201-D222 PolarHBondContact ND1-OD1 2.88Å; H201-S223 PolarHBondContact ND1-N 3.39Å
202M94.1Very high91.2Very high1 Ų156.8 Ų56.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-114.7128171.7-164-163.88700110.7A191 M192 T204 L219 T220 L221 I224 L231 V241 L243A191-M202 HydrophobicContact CB-CE 4.34Å; A191-M202 HydrophobicContact CB-SD 4.33Å; M192-M202 CarbonylContact O-C 3.59Å; M192-M202 VanDerWaalsContact O-CA 3.26Å; M192-M202 WeakPolarHBondContact O-CA 3.21Å; M192-M202 WeakPolarHBondContact O-CG 3.01Å; M202-T204 HydrophobicContact CE-CG2 4.13Å; M202-L219 HydrophobicContact CE-CD2 4.1Å; M202-L219 HydrophobicContact CE-CG 3.89Å; M202-L219 WeakPolarHBondContact CE-O 3.29Å; M202-T220 CarbonylContact O-C 3.47Å; M202-T220 WeakPolarHBondContact O-CA 3.42Å; M202-T220 WeakPolarHBondContact O-CG2 3.37Å; M202-L221 HydrophobicContact CB-CB 4.07Å; M202-L221 HydrophobicContact CB-CD1 4.22Å; M202-L221 HydrophobicContact CB-CG 4.45Å; M202-L221 HydrophobicContact CE-CD1 3.93Å; M202-L221 HydrophobicContact CE-CG 4.21Å; M202-L221 PolarHBondContact N-O 2.96Å; M202-L221 PolarHBondContact O-N 3.47Å; M202-L221 HydrophobicContact SD-CD1 3.96Å; M202-I224 HydrophobicContact CB-CG2 4.24Å; M202-L231 HydrophobicContact CG-CD1 4Å; M202-L231 HydrophobicContact SD-CD1 3.9Å; M202-V241 HydrophobicContact CE-CG2 4.25Å; M202-V241 HydrophobicContact SD-CG2 3.88Å; M202-L243 HydrophobicContact SD-CD2 3.99Å
203K93.5Very high91Very high31 Ų3160.2 Ų60.214%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-124.3150.1179.3-157.6166.2-176.6174.50110.7E173 A191 M192 Y194 Y205 N216 T220E173-K203 HydrophobicContact CG-CD 4.3Å; E173-K203 WeakPolarHBondContact OE1-CD 3.46Å; E173-K203 WeakPolarHBondContact OE1-CE 3.46Å; E173-K203 IonicContact OE1-NZ 2.82Å; E173-K203 PolarHBondContact OE1-NZ 3.35Å; A191-K203 CarbonylContact C-O 3.56Å; A191-K203 WeakPolarHBondContact CA-O 3.22Å; M192-K203 HydrophobicContact CG-CB 4.16Å; M192-K203 WeakPolarHBondContact CG-O 3.46Å; M192-K203 PolarHBondContact N-O 3.16Å; M192-K203 PolarHBondContact O-N 3.05Å; Y194-K203 HydrophobicContact CE1-CB 4.1Å; Y194-K203 HydrophobicContact CE1-CD 4.37Å; K203-Y205 HydrophobicContact CD-CE2 4.08Å; K203-Y205 VanDerWaalsContact CE-OH 3.27Å; K203-Y205 WeakPolarHBondContact CE-OH 3.31Å; K203-Y205 HydrophobicContact CG-CE2 4.2Å; K203-Y205 PolarHBondContact NZ-OH 2.86Å; K203-N216 WeakPolarHBondContact CE-ND2 3.47Å; K203-T220 HydrophobicContact CG-CG2 4.22Å
204T94.5Very high90.9Very high0 Ų061.6 Ų61.60%030%0.3CS..EExtended strand (participates in β ladder)trans-122.3134.417842.20000112.8I182 F190 A191 M202 N216 V217 L219I182-T204 HydrophobicContact CD1-CG2 3.66Å; F190-T204 CarbonylContact O-C 3.48Å; F190-T204 WeakPolarHBondContact O-CA 3.27Å; A191-T204 HydrophobicContact CB-CG2 3.65Å; M202-T204 HydrophobicContact CE-CG2 4.13Å; T204-N216 CarbonylContact O-C 3.59Å; T204-N216 WeakPolarHBondContact O-CA 3.21Å; T204-N216 PolarHBondContact O-OD1 2.67Å; T204-N216 VanDerWaalsContact O-OD1 3.05Å; T204-V217 PolarHBondContact O-N 2.75Å; T204-V217 PolarHBondContact OG1-O 2.78Å; T204-L219 HydrophobicContact CG2-CB 4.19Å; T204-L219 HydrophobicContact CG2-CD2 4.44Å; T204-L219 WeakPolarHBondContact CG2-O 3.26Å; T204-L219 PolarHBondContact OG1-O 3.27Å
205Y94.6Very high90.8Very high22 Ų2266.3 Ų66.39%0.08632%0.318CS..EExtended strand (participates in β ladder)trans-126.5130.9-179.2-71.9-70.3000111.6I171 E173 T189 F190 M192 K203 L214 R215 N216I171-Y205 HydrophobicContact CD1-CE2 4.04Å; I171-Y205 HydrophobicContact CG1-CE2 4.41Å; E173-Y205 VanDerWaalsContact CD-OH 3.32Å; E173-Y205 PolarHBondContact OE1-OH 3.24Å; E173-Y205 WeakPolarHBondContact OE2-CE2 3.4Å; E173-Y205 PolarHBondContact OE2-OH 2.85Å; T189-Y205 CarbonylContact C-O 3.55Å; T189-Y205 VanDerWaalsContact CA-O 3.31Å; T189-Y205 WeakPolarHBondContact CA-O 3.34Å; F190-Y205 AromaticContact CE2-CD2 3.91Å; F190-Y205 HydrophobicContact CE2-CD2 3.91Å; F190-Y205 HydrophobicContact CE2-CG 4.44Å; F190-Y205 HydrophobicContact CZ-CD2 4.02Å; F190-Y205 HydrophobicContact CZ-CG 4.22Å; F190-Y205 PolarHBondContact N-O 2.97Å; F190-Y205 PolarHBondContact O-N 2.92Å; M192-Y205 HydrophobicContact SD-CD2 3.96Å; M192-Y205 HydrophobicContact SD-CE2 3.71Å; K203-Y205 HydrophobicContact CD-CE2 4.08Å; K203-Y205 VanDerWaalsContact CE-OH 3.27Å; K203-Y205 WeakPolarHBondContact CE-OH 3.31Å; K203-Y205 HydrophobicContact CG-CE2 4.2Å; K203-Y205 PolarHBondContact NZ-OH 2.86Å; Y205-L214 HydrophobicContact CD1-CB 3.97Å; Y205-L214 HydrophobicContact CG-CB 4.38Å; Y205-R215 CarbonylContact C-O 3.57Å; Y205-R215 WeakPolarHBondContact CA-O 3.37Å; Y205-N216 HydrophobicContact CD1-CB 4.34Å; Y205-N216 HydrophobicContact CE1-CB 4.13Å
206E94.4Very high90.7Very high14 Ų1467 Ų677%0.06532%0.324CS..EExtended strand (participates in β ladder)trans-89.6136.2166.2-91.2165.818000111L187 T189 L214 R215 V217L187-E206 HydrophobicContact CB-CG 4.12Å; T189-E206 HydrophobicContact CG2-CG 4.12Å; T189-E206 WeakPolarHBondContact OG1-CG 3.44Å; E206-L214 WeakPolarHBondContact O-CA 3.49Å; E206-R215 PolarHBondContact N-O 2.59Å; E206-R215 PolarHBondContact O-N 2.79Å; E206-R215 IonicContact OE2-CZ 2.71Å; E206-R215 IonicContact OE2-NE 3.54Å; E206-R215 PolarHBondContact OE2-NE 3.07Å; E206-R215 IonicContact OE2-NH2 3.68Å; E206-R215 PolarHBondContact OE2-NH2 2.82Å; E206-V217 HydrophobicContact CB-CG2 3.96Å; E206-V217 HydrophobicContact CG-CG2 3.59Å
207I94.2Very high90.4Very high0 Ų063.8 Ų63.80%031%0.307CS..EExtended strand (participates in β ladder)trans-98.4127.8172.8-51.6174.2000109.2Y130 V132 I142 F181 P188 F190 P212 L214Y130-I207 HydrophobicContact CD1-CG2 4.09Å; Y130-I207 HydrophobicContact CD2-CB 4.32Å; Y130-I207 HydrophobicContact CD2-CG2 3.98Å; Y130-I207 HydrophobicContact CE1-CG2 3.99Å; Y130-I207 HydrophobicContact CE2-CB 4.32Å; Y130-I207 HydrophobicContact CE2-CG2 3.88Å; Y130-I207 HydrophobicContact CG-CG2 4.1Å; V132-I207 HydrophobicContact CG2-CD1 3.55Å; I142-I207 HydrophobicContact CD1-CG2 4.48Å; F181-I207 HydrophobicContact CE1-CD1 3.98Å; F181-I207 HydrophobicContact CZ-CD1 3.77Å; P188-I207 PolarHBondContact O-N 2.94Å; F190-I207 HydrophobicContact CD1-CD1 4.01Å; F190-I207 HydrophobicContact CD1-CG1 4.13Å; F190-I207 HydrophobicContact CE1-CD1 4.02Å; F190-I207 HydrophobicContact CE1-CG1 3.95Å; I207-P212 HydrophobicContact CG2-CB 3.78Å; I207-L214 HydrophobicContact CG1-CD2 3.84Å
208Y89.9Confident89.7Confident97 Ų9763.1 Ų63.138%0.3830%0.304SS..EExtended strand (participates in β ladder)trans-149.4159177.970.1-71.6000112P212 V213 R215Y208-P212 WeakPolarHBondContact O-CA 3.33Å; Y208-V213 WeakPolarHBondContact CD1-O 3.46Å; Y208-V213 HydrophobicContact CE1-CB 3.93Å; Y208-V213 HydrophobicContact CE1-CG1 4.12Å; Y208-V213 WeakPolarHBondContact CE1-O 3.4Å; Y208-V213 PolarHBondContact N-O 2.95Å; Y208-V213 PolarHBondContact O-N 2.96Å; Y208-R215 HydrophobicContact CD1-CB 4.29Å; Y208-R215 HydrophobicContact CE1-CB 3.7Å
209G86Confident89.3Confident40 Ų4056.6 Ų56.641%0.41227%0.27SS..THydrogen-bonded Turntrans97.6167.3-179.300000114.1Y130Y130-G209 PolarHBondContact OH-O 2.84Å; Y130-G209 VanDerWaalsContact OH-O 3.12Å
210R79.3Confident88.8Confident223 Ų22356 Ų5684%0.84227%0.267SS*.THydrogen-bonded Turntrans-81-39.4170.8-76.8-175.4172.8-177.1-2.6111.6
211E86.3Confident88.4Confident144 Ų14457.3 Ų57.367%0.67327%0.273SS*.THydrogen-bonded Turntrans-86.6112.2155.9-56.8-175.8172.200104.9Y167 V213Y167-E211 HydrophobicContact CD1-CB 4.48Å; Y167-E211 HydrophobicContact CE1-CB 4.11Å; Y167-E211 HydrophobicContact CE1-CG 3.92Å; E211-V213 PolarHBondContact O-N 3.47Å
212P88.7Confident87.9Confident7 Ų761.6 Ų61.65%0.04530%0.298CS..THydrogen-bonded Turntrans-73.8124.4-169.328.4-32.5000110.6Y130 I142 L144 Y167 V169 I207 Y208Y130-P212 HydrophobicContact CE1-CB 4.27Å; I142-P212 HydrophobicContact CB-CB 4.43Å; I142-P212 HydrophobicContact CB-CG 3.87Å; I142-P212 HydrophobicContact CD1-CB 4.05Å; I142-P212 HydrophobicContact CD1-CG 4.18Å; I142-P212 HydrophobicContact CG2-CB 3.97Å; I142-P212 HydrophobicContact CG2-CG 3.77Å; L144-P212 HydrophobicContact CD1-CG 4.12Å; Y167-P212 HydrophobicContact CD1-CG 4.47Å; Y167-P212 HydrophobicContact CD2-CG 3.94Å; Y167-P212 HydrophobicContact CG-CG 3.76Å; V169-P212 WeakPolarHBondContact CG2-O 3.33Å; I207-P212 HydrophobicContact CG2-CB 3.78Å; Y208-P212 WeakPolarHBondContact O-CA 3.33Å
213V90.7Very high87.7Confident71 Ų7165.3 Ų65.343%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-114.9143.2175.6-176.40000109Y208 E211Y208-V213 WeakPolarHBondContact CD1-O 3.46Å; Y208-V213 HydrophobicContact CE1-CB 3.93Å; Y208-V213 HydrophobicContact CE1-CG1 4.12Å; Y208-V213 WeakPolarHBondContact CE1-O 3.4Å; Y208-V213 PolarHBondContact N-O 2.95Å; Y208-V213 PolarHBondContact O-N 2.96Å; E211-V213 PolarHBondContact O-N 3.47Å
214L92.6Very high87.7Confident29 Ų2964.6 Ų64.615%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-89.9136.6175.3-60.3177.2000110.8L140 I142 V169 F190 Y205 E206 I207L140-L214 HydrophobicContact CD1-CD1 4.26Å; I142-L214 HydrophobicContact CD1-CD2 4.26Å; V169-L214 HydrophobicContact CG1-CD1 3.8Å; V169-L214 HydrophobicContact CG1-CG 3.93Å; F190-L214 HydrophobicContact CE1-CD2 3.63Å; F190-L214 HydrophobicContact CZ-CD1 4.33Å; F190-L214 HydrophobicContact CZ-CD2 3.92Å; Y205-L214 HydrophobicContact CD1-CB 3.97Å; Y205-L214 HydrophobicContact CG-CB 4.38Å; E206-L214 WeakPolarHBondContact O-CA 3.49Å; I207-L214 HydrophobicContact CG1-CD2 3.84Å
215R91.8Very high87.4Confident128 Ų12866.5 Ų66.548%0.48333%0.33SS..EExtended strand (participates in β ladder)trans-128.6126.8171.7176.3176.176.5173.15.7110.3Y205 E206 Y208Y205-R215 CarbonylContact C-O 3.57Å; Y205-R215 WeakPolarHBondContact CA-O 3.37Å; E206-R215 PolarHBondContact N-O 2.59Å; E206-R215 PolarHBondContact O-N 2.79Å; E206-R215 IonicContact OE2-CZ 2.71Å; E206-R215 IonicContact OE2-NE 3.54Å; E206-R215 PolarHBondContact OE2-NE 3.07Å; E206-R215 IonicContact OE2-NH2 3.68Å; E206-R215 PolarHBondContact OE2-NH2 2.82Å; Y208-R215 HydrophobicContact CD1-CB 4.29Å; Y208-R215 HydrophobicContact CE1-CB 3.7Å
216N88.4Confident86.9Confident80 Ų8070.7 Ų70.743%0.42836%0.36SS..EExtended strand (participates in β ladder)trans-64.9143.3176.5-169.82.3000111.6K203 T204 Y205 T220K203-N216 WeakPolarHBondContact CE-ND2 3.47Å; T204-N216 CarbonylContact O-C 3.59Å; T204-N216 WeakPolarHBondContact O-CA 3.21Å; T204-N216 PolarHBondContact O-OD1 2.67Å; T204-N216 VanDerWaalsContact O-OD1 3.05Å; Y205-N216 HydrophobicContact CD1-CB 4.34Å; Y205-N216 HydrophobicContact CE1-CB 4.13Å; N216-T220 PolarHBondContact OD1-OG1 3.37Å
217V85.4Confident86.6Confident26 Ų2671.7 Ų71.716%0.15837%0.365CS..  trans-122.6158.7-177-168.70000110.7Y185 T189 T204 E206 L219 T220Y185-V217 HydrophobicContact CD1-CG1 4.47Å; Y185-V217 HydrophobicContact CE1-CG1 3.9Å; T189-V217 HydrophobicContact CG2-CG2 4.35Å; T204-V217 PolarHBondContact O-N 2.75Å; T204-V217 PolarHBondContact OG1-O 2.78Å; E206-V217 HydrophobicContact CB-CG2 3.96Å; E206-V217 HydrophobicContact CG-CG2 3.59Å; V217-L219 PolarHBondContact O-N 3.18Å; V217-L219 VanDerWaalsContact O-N 3.13Å; V217-T220 PolarHBondContact O-OG1 3.34Å
218Q74.4Confident86.4Confident167 Ų16771.8 Ų71.878%0.7837%0.366SS*.SBendtrans-64.1-15.3-171.9-78.8-175.4-4500116.2T220Q218-T220 PolarHBondContact O-N 2.85Å
219L77.5Confident86.4Confident12 Ų1270 Ų706%0.06336%0.36CS..  trans-83.163.7175.3-170.373.9000109.6I182 M202 T204 V217I182-L219 HydrophobicContact CD1-CD2 4.17Å; M202-L219 HydrophobicContact CE-CD2 4.1Å; M202-L219 HydrophobicContact CE-CG 3.89Å; M202-L219 WeakPolarHBondContact CE-O 3.29Å; T204-L219 HydrophobicContact CG2-CB 4.19Å; T204-L219 HydrophobicContact CG2-CD2 4.44Å; T204-L219 WeakPolarHBondContact CG2-O 3.26Å; T204-L219 PolarHBondContact OG1-O 3.27Å; V217-L219 PolarHBondContact O-N 3.18Å; V217-L219 VanDerWaalsContact O-N 3.13Å
220T80.3Confident86.8Confident44 Ų4469.3 Ų69.327%0.2735%0.347SS..  trans-111.6131.7173-66.30000107.4M202 K203 N216 V217 Q218M202-T220 CarbonylContact O-C 3.47Å; M202-T220 WeakPolarHBondContact O-CA 3.42Å; M202-T220 WeakPolarHBondContact O-CG2 3.37Å; K203-T220 HydrophobicContact CG-CG2 4.22Å; N216-T220 PolarHBondContact OD1-OG1 3.37Å; V217-T220 PolarHBondContact O-OG1 3.34Å; Q218-T220 PolarHBondContact O-N 2.85Å
221L85.2Confident87.6Confident39 Ų3958.7 Ų58.720%0.20431%0.307CS..BIsolated β-bridgetrans-119.6114-177.6-55.9168.3000108.2M202 I224 L243 H252M202-L221 HydrophobicContact CB-CB 4.07Å; M202-L221 HydrophobicContact CB-CD1 4.22Å; M202-L221 HydrophobicContact CB-CG 4.45Å; M202-L221 HydrophobicContact CE-CD1 3.93Å; M202-L221 HydrophobicContact CE-CG 4.21Å; M202-L221 PolarHBondContact N-O 2.96Å; M202-L221 PolarHBondContact O-N 3.47Å; M202-L221 HydrophobicContact SD-CD1 3.96Å; L221-I224 HydrophobicContact CB-CG2 3.72Å; L221-I224 HydrophobicContact CD1-CG2 4.23Å; L221-L243 HydrophobicContact CD1-CD1 4.27Å; L221-H252 HydrophobicContact CD1-CB 4.05Å; L221-H252 VanDerWaalsContact CD1-ND1 3.3Å; L221-H252 WeakPolarHBondContact CD1-ND1 3.42Å
222D85.3Confident88Confident119 Ų11952 Ų5264%0.63628%0.276SS*.SBendtrans-82.7134.8172.8-64.9-48.9000110.4H201H201-D222 IonicContact CE1-OD1 2.72Å; H201-D222 WeakPolarHBondContact ND1-CA 3.42Å; H201-D222 IonicContact ND1-OD1 3.52Å; H201-D222 PolarHBondContact ND1-OD1 2.88Å
223S89.7Confident88.3Confident78 Ų7852.5 Ų52.555%0.54528%0.279SS..SBendtrans56.967.2176.1-52.60000114.2L200 H201L200-S223 CarbonylContact O-C 3.46Å; L200-S223 VanDerWaalsContact O-CA 3.23Å; L200-S223 WeakPolarHBondContact O-CA 3.42Å; L200-S223 PolarHBondContact O-N 2.93Å; H201-S223 PolarHBondContact ND1-N 3.39Å
224I92.5Very high88.4Confident16 Ų1649.1 Ų49.18%0.08226%0.259CS..  trans-74.7177.6169.468.5167.1000111.3I193 L200 M202 L221 L243I193-I224 HydrophobicContact CD1-CD1 4.41Å; I193-I224 HydrophobicContact CG1-CD1 4.28Å; I193-I224 HydrophobicContact CG2-CD1 3.88Å; L200-I224 HydrophobicContact CB-CD1 4.06Å; L200-I224 HydrophobicContact CB-CG1 3.55Å; L200-I224 WeakPolarHBondContact O-CG1 3.44Å; L200-I224 PolarHBondContact O-N 3.28Å; M202-I224 HydrophobicContact CB-CG2 4.24Å; L221-I224 HydrophobicContact CB-CG2 3.72Å; L221-I224 HydrophobicContact CD1-CG2 4.23Å; I224-L243 HydrophobicContact CB-CD1 4.19Å; I224-L243 HydrophobicContact CD1-CD1 3.98Å; I224-L243 HydrophobicContact CD1-CD2 4.45Å; I224-L243 HydrophobicContact CG2-CD1 3.94Å
225E88.9Confident88.4Confident40 Ų4049.5 Ų49.519%0.18726%0.263CS..  trans-60.2131-179.3-66.875.5-174.400111.6D227 S228 I248 C250 H258E225-D227 PolarHBondContact O-N 3.34Å; E225-D227 VanDerWaalsContact O-N 3.14Å; E225-S228 VanDerWaalsContact O-CB 3.3Å; E225-S228 WeakPolarHBondContact O-CB 3.3Å; E225-S228 PolarHBondContact O-N 3.07Å; E225-S228 VanDerWaalsContact O-N 3.08Å; E225-S228 PolarHBondContact O-OG 2.67Å; E225-I248 HydrophobicContact CB-CG2 4.07Å; E225-I248 HydrophobicContact CG-CG2 3.94Å; E225-C250 PolarHBondContact OE1-SG 2.83Å; E225-H258 IonicContact OE1-CE1 3.92Å; E225-H258 PolarHBondContact OE1-CE1 3.38Å
226P84.6Confident88.1Confident110 Ų11050.4 Ų50.471%0.71427%0.27SS*.THydrogen-bonded Turntrans-72.7-8.9-165.430.4-38000114.9L200L200-P226 WeakPolarHBondContact CD1-O 3.29Å
227D86.6Confident88Confident35 Ų3550.8 Ų50.819%0.18728%0.277CS..THydrogen-bonded Turntrans-104.710174.165.7-28.7000113.4E225 K229 G245 D246 N247E225-D227 PolarHBondContact O-N 3.34Å; E225-D227 VanDerWaalsContact O-N 3.14Å; D227-K229 PolarHBondContact O-N 2.6Å; D227-G245 WeakPolarHBondContact O-CA 3.14Å; D227-D246 PolarHBondContact OD2-N 3.19Å; D227-N247 WeakPolarHBondContact OD2-CB 3.39Å; D227-N247 PolarHBondContact OD2-N 3.13Å; D227-N247 PolarHBondContact OD2-ND2 3.07Å
228S91.3Very high88.1Confident3 Ų351.3 Ų51.32%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-63.6119.5178.1-59.80000112.3L200 E225L200-S228 VanDerWaalsContact CD1-O 3.31Å; L200-S228 WeakPolarHBondContact CD1-O 3.19Å; E225-S228 VanDerWaalsContact O-CB 3.3Å; E225-S228 WeakPolarHBondContact O-CB 3.3Å; E225-S228 PolarHBondContact O-N 3.07Å; E225-S228 VanDerWaalsContact O-N 3.08Å; E225-S228 PolarHBondContact O-OG 2.67Å
229K89.9Confident88.8Confident59 Ų5943.8 Ų43.826%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-118.8-33.9-176.7-71176.2-172.2170.40114.7D178 D227 V244 D246D178-K229 WeakPolarHBondContact CB-O 3.45Å; D227-K229 PolarHBondContact O-N 2.6Å; K229-V244 PolarHBondContact N-O 3.38Å; K229-D246 WeakPolarHBondContact CE-OD1 3.16Å; K229-D246 WeakPolarHBondContact CE-OD2 3.48Å; K229-D246 IonicContact NZ-OD1 3.92Å; K229-D246 PolarHBondContact NZ-OD1 3.05Å; K229-D246 IonicContact NZ-OD2 2.7Å; K229-D246 PolarHBondContact NZ-OD2 3.26Å
230L93.9Very high89.4Confident25 Ų2543.7 Ų43.713%0.13125%0.245CC..EExtended strand (participates in β ladder)trans-119.4140.3-176.2-52.4171.1000111.3D178 L243 V244 V271 Y274D178-L230 WeakPolarHBondContact OD2-CA 3.45Å; L230-L243 WeakPolarHBondContact O-CA 3.45Å; L230-V244 HydrophobicContact CB-CB 4.21Å; L230-V244 PolarHBondContact N-O 2.72Å; L230-V244 VanDerWaalsContact N-O 3.08Å; L230-V244 PolarHBondContact O-N 3.4Å; L230-V271 HydrophobicContact CD1-CG1 3.92Å; L230-Y274 HydrophobicContact CD1-CD1 4.39Å
231L94.8Very high90Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-115108.1175-166.9150.2000109.7D178 A180 A191 I193 M202 V241 L243D178-L231 PolarHBondContact OD2-N 3.12Å; A180-L231 HydrophobicContact CB-CD2 3.6Å; A191-L231 HydrophobicContact CB-CD1 3.67Å; A191-L231 HydrophobicContact CB-CD2 3.98Å; I193-L231 HydrophobicContact CD1-CB 4.04Å; I193-L231 HydrophobicContact CD1-CD1 4.41Å; I193-L231 HydrophobicContact CG1-CB 4.29Å; I193-L231 HydrophobicContact CG1-CD1 3.85Å; M202-L231 HydrophobicContact CG-CD1 4Å; M202-L231 HydrophobicContact SD-CD1 3.9Å; L231-V241 HydrophobicContact CD2-CB 4.46Å; L231-V241 HydrophobicContact CD2-CG1 4.02Å; L231-L243 HydrophobicContact CD1-CD2 4.03Å; L231-L243 HydrophobicContact CG-CD2 4.18Å
232I95.7Very high90.5Very high3 Ų339.8 Ų39.82%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-103113.5-177.8-52.6178.7000109V234 V241 I242 V244 Y274 Y282 L284I232-V234 PolarHBondContact O-N 2.92Å; I232-V241 CarbonylContact O-C 3.54Å; I232-V241 WeakPolarHBondContact O-CA 3.44Å; I232-I242 HydrophobicContact CB-CB 4.15Å; I232-I242 HydrophobicContact CG2-CD1 4.45Å; I232-I242 PolarHBondContact N-O 2.93Å; I232-I242 PolarHBondContact O-N 2.89Å; I232-V244 HydrophobicContact CD1-CG2 3.76Å; I232-V244 HydrophobicContact CG1-CG2 4.39Å; I232-Y274 HydrophobicContact CB-CE2 4.26Å; I232-Y274 HydrophobicContact CD1-CD1 3.99Å; I232-Y274 HydrophobicContact CD1-CD2 3.79Å; I232-Y274 HydrophobicContact CD1-CE1 4.47Å; I232-Y274 HydrophobicContact CD1-CE2 4.32Å; I232-Y274 HydrophobicContact CD1-CG 3.6Å; I232-Y274 HydrophobicContact CG1-CD1 3.78Å; I232-Y274 HydrophobicContact CG1-CD2 3.94Å; I232-Y274 HydrophobicContact CG1-CE1 3.79Å; I232-Y274 HydrophobicContact CG1-CE2 3.97Å; I232-Y274 HydrophobicContact CG1-CG 3.84Å; I232-Y274 HydrophobicContact CG2-CD2 4.01Å; I232-Y274 HydrophobicContact CG2-CE2 3.63Å; I232-Y282 HydrophobicContact CG2-CD1 3.71Å; I232-Y282 HydrophobicContact CG2-CE1 3.52Å; I232-L284 HydrophobicContact CD1-CD2 4.05Å
233P94.5Very high90.9Very high19 Ų1934.2 Ų34.212%0.12319%0.193CC..EExtended strand (participates in β ladder)trans-77124.6177.431.6-34000110.6A180 F181 I182 Y183A180-P233 HydrophobicContact CB-CB 4.41Å; A180-P233 HydrophobicContact CB-CG 3.9Å; F181-P233 WeakPolarHBondContact O-CB 3.46Å; F181-P233 WeakPolarHBondContact O-CG 3.36Å; I182-P233 HydrophobicContact CG2-CB 4.32Å; Y183-P233 HydrophobicContact CD2-CB 4.05Å; Y183-P233 HydrophobicContact CE2-CB 3.95Å; Y183-P233 HydrophobicContact CE2-CG 4.17Å
234V94Very high91.2Very high0 Ų030.5 Ų30.50%017%0.168CC..PPolyproline II helixtrans-87.6125.7-178.6179.90000109.6Y183 I232 Y238 G239 G240 I242 Y251 L296Y183-V234 WeakPolarHBondContact CD2-O 3.5Å; I232-V234 PolarHBondContact O-N 2.92Å; V234-Y238 HydrophobicContact CG1-CD2 4.43Å; V234-G239 WeakPolarHBondContact CB-O 3.49Å; V234-G239 CarbonylContact O-C 3.56Å; V234-G239 VanDerWaalsContact O-CA 3.29Å; V234-G239 WeakPolarHBondContact O-CA 3.45Å; V234-G240 PolarHBondContact N-O 3.45Å; V234-I242 HydrophobicContact CG2-CD1 3.91Å; V234-I242 HydrophobicContact CG2-CG1 3.63Å; V234-Y251 HydrophobicContact CB-CE2 4.37Å; V234-Y251 HydrophobicContact CG2-CD2 4.18Å; V234-Y251 HydrophobicContact CG2-CE2 3.98Å; V234-L296 HydrophobicContact CG1-CD1 3.9Å; V234-L296 HydrophobicContact CG2-CD1 4.07Å
235P91.5Very high91.2Very high36 Ų3629.8 Ų29.823%0.23416%0.164CC..PPolyproline II helixtrans-73.7171.6-177.231.1-34.3000112.5Y183 Y238 G239 A279 Y282Y183-P235 HydrophobicContact CD2-CB 4.18Å; Y183-P235 HydrophobicContact CE2-CB 4.13Å; Y183-P235 HydrophobicContact CG-CB 4.45Å; P235-Y238 PolarHBondContact O-N 2.91Å; P235-G239 PolarHBondContact O-N 2.88Å; P235-A279 HydrophobicContact CG-CB 3.8Å; P235-Y282 WeakPolarHBondContact CD-OH 3.49Å
236K85.2Confident91.2Very high147 Ų14729.1 Ų29.164%0.63916%0.162SC*.THydrogen-bonded Turntrans-62.4144.5170-68.5-178180177.60109.5
237P87.3Confident91.4Very high88 Ų8826.5 Ų26.557%0.57114%0.142SC*.THydrogen-bonded Turncis-84.6-17.313.332.9-36.4000115.6
238Y87.7Confident91.6Very high38 Ų3825.8 Ų25.815%0.14914%0.138CC..THydrogen-bonded Turntrans-73.5-44.7-170.6-46.6-70.6000113V234 P235 A279 Q280 V318 I320V234-Y238 HydrophobicContact CG1-CD2 4.43Å; P235-Y238 PolarHBondContact O-N 2.91Å; Y238-A279 HydrophobicContact CD2-CB 4.07Å; Y238-A279 WeakPolarHBondContact CD2-O 3.09Å; Y238-A279 HydrophobicContact CE2-CB 3.79Å; Y238-Q280 HydrophobicContact CE2-CG 3.53Å; Y238-Q280 VanDerWaalsContact OH-CG 3.26Å; Y238-Q280 WeakPolarHBondContact OH-CG 3.43Å; Y238-Q280 PolarHBondContact OH-NE2 2.8Å; Y238-V318 HydrophobicContact CD1-CB 4.38Å; Y238-V318 HydrophobicContact CD1-CG1 4.29Å; Y238-V318 WeakPolarHBondContact CD1-O 3.35Å; Y238-V318 HydrophobicContact CE1-CB 4.09Å; Y238-V318 HydrophobicContact CE1-CG1 3.68Å; Y238-I320 HydrophobicContact CD1-CD1 3.39Å; Y238-I320 HydrophobicContact CD1-CG1 4.13Å; Y238-I320 HydrophobicContact CD2-CD1 4.45Å; Y238-I320 HydrophobicContact CE1-CD1 3.77Å; Y238-I320 HydrophobicContact CG-CD1 3.79Å; Y238-I320 HydrophobicContact CG-CG1 4.28Å
239G87.9Confident91.8Very high9 Ų925.6 Ų25.69%0.09314%0.137CC..  trans65.7-174.6-17400000113.1V234 P235 Y251V234-G239 WeakPolarHBondContact CB-O 3.49Å; V234-G239 CarbonylContact O-C 3.56Å; V234-G239 VanDerWaalsContact O-CA 3.29Å; V234-G239 WeakPolarHBondContact O-CA 3.45Å; P235-G239 PolarHBondContact O-N 2.88Å; G239-Y251 WeakPolarHBondContact O-CE2 3.27Å; G239-Y251 PolarHBondContact O-OH 3.25Å
240G89.7Confident92Very high9 Ų922.9 Ų22.99%0.09313%0.125CC..SBendtrans87.2-164-179.500000113.8V234 H252V234-G240 PolarHBondContact N-O 3.45Å; G240-H252 CarbonylContact C-O 3.54Å; G240-H252 VanDerWaalsContact CA-O 3.29Å; G240-H252 WeakPolarHBondContact CA-O 3.42Å
241V93.6Very high92Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-139.5148.6-175.6-65.20000110.6I182 M202 L231 I232 Y251 H252I182-V241 HydrophobicContact CB-CG1 4.37Å; I182-V241 HydrophobicContact CG2-CG1 3.42Å; I182-V241 VanDerWaalsContact CG2-CG1 3.42Å; M202-V241 HydrophobicContact CE-CG2 4.25Å; M202-V241 HydrophobicContact SD-CG2 3.88Å; L231-V241 HydrophobicContact CD2-CB 4.46Å; L231-V241 HydrophobicContact CD2-CG1 4.02Å; I232-V241 CarbonylContact O-C 3.54Å; I232-V241 WeakPolarHBondContact O-CA 3.44Å; V241-Y251 WeakPolarHBondContact O-CA 3.13Å; V241-Y251 WeakPolarHBondContact O-CD2 3.31Å; V241-H252 HydrophobicContact CG2-CB 4.02Å; V241-H252 PolarHBondContact N-O 3.24Å; V241-H252 PolarHBondContact O-N 2.96Å
242I95Very high91.8Very high2 Ų223 Ų231%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-107.8127.4165-49.7164.3000107.5I232 V234 V244 I249 C250 Y251 Y282 L296I232-I242 HydrophobicContact CB-CB 4.15Å; I232-I242 HydrophobicContact CG2-CD1 4.45Å; I232-I242 PolarHBondContact N-O 2.93Å; I232-I242 PolarHBondContact O-N 2.89Å; V234-I242 HydrophobicContact CG2-CD1 3.91Å; V234-I242 HydrophobicContact CG2-CG1 3.63Å; I242-V244 HydrophobicContact CG2-CG2 3.93Å; I242-I249 HydrophobicContact CG2-CG2 3.21Å; I242-C250 CarbonylContact C-O 3.58Å; I242-C250 WeakPolarHBondContact CA-O 3.37Å; I242-Y251 HydrophobicContact CG1-CD2 4.11Å; I242-Y282 HydrophobicContact CD1-CD2 4.01Å; I242-Y282 HydrophobicContact CD1-CE2 3.94Å; I242-Y282 HydrophobicContact CD1-CG 4.49Å; I242-L296 HydrophobicContact CD1-CD1 4.22Å; I242-L296 HydrophobicContact CD1-CD2 3.99Å; I242-L296 HydrophobicContact CD1-CG 4.45Å; I242-L296 HydrophobicContact CG1-CD2 4.44Å
243L95.6Very high91.4Very high1 Ų124.7 Ų24.71%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-94.6125.7166.3-56.2172.7000107.2I193 M202 L221 I224 L230 L231 I249 C250I193-L243 HydrophobicContact CD1-CD2 3.79Å; I193-L243 HydrophobicContact CG1-CD2 4.06Å; M202-L243 HydrophobicContact SD-CD2 3.99Å; L221-L243 HydrophobicContact CD1-CD1 4.27Å; I224-L243 HydrophobicContact CB-CD1 4.19Å; I224-L243 HydrophobicContact CD1-CD1 3.98Å; I224-L243 HydrophobicContact CD1-CD2 4.45Å; I224-L243 HydrophobicContact CG2-CD1 3.94Å; L230-L243 WeakPolarHBondContact O-CA 3.45Å; L231-L243 HydrophobicContact CD1-CD2 4.03Å; L231-L243 HydrophobicContact CG-CD2 4.18Å; L243-I249 WeakPolarHBondContact O-CA 3.3Å; L243-C250 HydrophobicContact CB-CB 4.38Å; L243-C250 PolarHBondContact N-O 3.45Å; L243-C250 PolarHBondContact O-N 3.06Å
244V95.3Very high90.7Very high1 Ų129.1 Ų29.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-116.6118.7178.7-179.40000108.5K229 L230 I232 I242 I249 V271 L284K229-V244 PolarHBondContact N-O 3.38Å; L230-V244 HydrophobicContact CB-CB 4.21Å; L230-V244 PolarHBondContact N-O 2.72Å; L230-V244 VanDerWaalsContact N-O 3.08Å; L230-V244 PolarHBondContact O-N 3.4Å; I232-V244 HydrophobicContact CD1-CG2 3.76Å; I232-V244 HydrophobicContact CG1-CG2 4.39Å; I242-V244 HydrophobicContact CG2-CG2 3.93Å; V244-I249 HydrophobicContact CG1-CG1 4.27Å; V244-I249 HydrophobicContact CG2-CG1 4.45Å; V244-I249 HydrophobicContact CG2-CG2 4.3Å; V244-V271 HydrophobicContact CG1-CB 4.38Å; V244-V271 HydrophobicContact CG1-CG1 3.95Å; V244-V271 HydrophobicContact CG1-CG2 4.44Å; V244-L284 HydrophobicContact CG1-CD1 3.86Å; V244-L284 HydrophobicContact CG1-CD2 4.36Å; V244-L284 HydrophobicContact CG2-CD1 4.38Å; V244-L284 HydrophobicContact CG2-CD2 4.33Å
245G92.8Very high89.8Confident1 Ų136.1 Ų36.11%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-105.5-179.516500000112.5D227 N247 I248 I263D227-G245 WeakPolarHBondContact O-CA 3.14Å; G245-N247 VanDerWaalsContact C-N 3.26Å; G245-N247 PolarHBondContact O-N 3Å; G245-I248 PolarHBondContact N-O 3.48Å; G245-I263 WeakPolarHBondContact O-CD1 3.26Å
246D88Confident89.2Confident26 Ų2636 Ų3614%0.13920%0.195CC..SBendtrans-63.6-32-179.7-70.3-23.6000112.4D227 K229 A266 Q270 V271D227-D246 PolarHBondContact OD2-N 3.19Å; K229-D246 WeakPolarHBondContact CE-OD1 3.16Å; K229-D246 WeakPolarHBondContact CE-OD2 3.48Å; K229-D246 IonicContact NZ-OD1 3.92Å; K229-D246 PolarHBondContact NZ-OD1 3.05Å; K229-D246 IonicContact NZ-OD2 2.7Å; K229-D246 PolarHBondContact NZ-OD2 3.26Å; D246-A266 WeakPolarHBondContact O-CB 3.25Å; D246-Q270 VanDerWaalsContact OD1-CA 3.24Å; D246-Q270 WeakPolarHBondContact OD1-CA 3.5Å; D246-V271 PolarHBondContact OD1-N 2.93Å
247N88.3Confident89Confident54 Ų5431.7 Ų31.729%0.28918%0.182SC..SBendtrans-112.3-21.7-174.4-61.1-90.9000114.2D227 G245 Y262 I263D227-N247 WeakPolarHBondContact OD2-CB 3.39Å; D227-N247 PolarHBondContact OD2-N 3.13Å; D227-N247 PolarHBondContact OD2-ND2 3.07Å; G245-N247 VanDerWaalsContact C-N 3.26Å; G245-N247 PolarHBondContact O-N 3Å; N247-Y262 WeakPolarHBondContact O-CA 3.44Å; N247-Y262 WeakPolarHBondContact O-CD1 3.43Å; N247-I263 PolarHBondContact O-N 3.3Å
248I92.1Very high89.1Confident20 Ų2031.7 Ų31.710%0.10318%0.175CC..EExtended strand (participates in β ladder)trans-143.8145.5-166.3-162.8169.6000111.5E225 G245 Y262E225-I248 HydrophobicContact CB-CG2 4.07Å; E225-I248 HydrophobicContact CG-CG2 3.94Å; G245-I248 PolarHBondContact N-O 3.48Å; I248-Y262 HydrophobicContact CB-CD1 4.39Å; I248-Y262 HydrophobicContact CD1-CE1 4.18Å; I248-Y262 HydrophobicContact CG1-CD1 4.45Å
249I94.2Very high89.4Confident0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-119.3128.7175-58.2-170.8000108.5I242 L243 V244 S260 Q261 I263 L284 V294 I323 I325I242-I249 HydrophobicContact CG2-CG2 3.21Å; L243-I249 WeakPolarHBondContact O-CA 3.3Å; V244-I249 HydrophobicContact CG1-CG1 4.27Å; V244-I249 HydrophobicContact CG2-CG1 4.45Å; V244-I249 HydrophobicContact CG2-CG2 4.3Å; I249-S260 CarbonylContact O-C 3.58Å; I249-S260 VanDerWaalsContact O-CA 3.31Å; I249-S260 WeakPolarHBondContact O-CA 3.33Å; I249-Q261 PolarHBondContact N-O 3.3Å; I249-Q261 PolarHBondContact O-N 3.5Å; I249-I263 HydrophobicContact CD1-CD1 4.18Å; I249-I263 HydrophobicContact CD1-CG1 4.05Å; I249-I263 HydrophobicContact CG1-CD1 3.88Å; I249-I263 HydrophobicContact CG1-CG1 3.74Å; I249-L284 HydrophobicContact CD1-CD1 3.42Å; I249-L284 VanDerWaalsContact CD1-CD1 3.42Å; I249-L284 HydrophobicContact CG1-CD1 4.5Å; I249-V294 HydrophobicContact CD1-CG1 4.32Å; I249-V294 HydrophobicContact CD1-CG2 3.63Å; I249-I323 HydrophobicContact CG2-CD1 4.08Å; I249-I325 HydrophobicContact CB-CD1 4.28Å; I249-I325 HydrophobicContact CD1-CD1 3.51Å; I249-I325 HydrophobicContact CD1-CG1 4.19Å; I249-I325 HydrophobicContact CG1-CD1 3.89Å
250C94.2Very high89.6Confident1 Ų133.3 Ų33.31%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-124.6122.4-177.5-660000111.1E225 I242 L243 I259 S260E225-C250 PolarHBondContact OE1-SG 2.83Å; I242-C250 CarbonylContact C-O 3.58Å; I242-C250 WeakPolarHBondContact CA-O 3.37Å; L243-C250 HydrophobicContact CB-CB 4.38Å; L243-C250 PolarHBondContact N-O 3.45Å; L243-C250 PolarHBondContact O-N 3.06Å; C250-I259 CarbonylContact C-O 3.57Å; C250-I259 WeakPolarHBondContact CA-O 3.4Å; C250-S260 WeakPolarHBondContact SG-CB 3.39Å
251Y94Very high89.8Confident4 Ų436.4 Ų36.42%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-98.3130.6173.1170.4-99.3000110.6V234 G239 V241 I242 T253 I259 I320V234-Y251 HydrophobicContact CB-CE2 4.37Å; V234-Y251 HydrophobicContact CG2-CD2 4.18Å; V234-Y251 HydrophobicContact CG2-CE2 3.98Å; G239-Y251 WeakPolarHBondContact O-CE2 3.27Å; G239-Y251 PolarHBondContact O-OH 3.25Å; V241-Y251 WeakPolarHBondContact O-CA 3.13Å; V241-Y251 WeakPolarHBondContact O-CD2 3.31Å; I242-Y251 HydrophobicContact CG1-CD2 4.11Å; Y251-T253 HydrophobicContact CE1-CG2 3.93Å; Y251-I259 HydrophobicContact CD1-CD1 4.18Å; Y251-I259 PolarHBondContact N-O 2.86Å; Y251-I259 PolarHBondContact O-N 3.35Å; Y251-I259 VanDerWaalsContact O-N 3.14Å; Y251-I320 HydrophobicContact CD1-CB 4.3Å; Y251-I320 HydrophobicContact CD1-CG2 4.48Å; Y251-I320 HydrophobicContact CE1-CB 3.87Å; Y251-I320 HydrophobicContact CE1-CG1 4.18Å
252H91.5Very high89.7Confident23 Ų2344.2 Ų44.211%0.10623%0.231CC..EExtended strand (participates in β ladder)trans-128.2138.6178.8-67.7-107.8000110.6L221 G240 V241 H258L221-H252 HydrophobicContact CD1-CB 4.05Å; L221-H252 VanDerWaalsContact CD1-ND1 3.3Å; L221-H252 WeakPolarHBondContact CD1-ND1 3.42Å; G240-H252 CarbonylContact C-O 3.54Å; G240-H252 VanDerWaalsContact CA-O 3.29Å; G240-H252 WeakPolarHBondContact CA-O 3.42Å; V241-H252 HydrophobicContact CG2-CB 4.02Å; V241-H252 PolarHBondContact N-O 3.24Å; V241-H252 PolarHBondContact O-N 2.96Å; H252-H258 AromaticContact CD2-ND1 3.85Å; H252-H258 AromaticContact CE1-CE1 3.98Å; H252-H258 AromaticContact CE1-CG 3.94Å; H252-H258 AromaticContact CE1-ND1 3.08Å; H252-H258 PolarHBondContact CE1-ND1 2.8Å; H252-H258 AromaticContact ND1-ND1 3.89Å; H252-H258 AromaticContact NE2-CE1 3.65Å; H252-H258 AromaticContact NE2-ND1 2.97Å; H252-H258 PolarHBondContact NE2-ND1 2.54Å
253T87.8Confident89.3Confident39 Ų3944.6 Ų44.624%0.23923%0.233CC..  trans-144.7159.2170.9-173.50000109.4Y251 D255Y251-T253 HydrophobicContact CE1-CG2 3.93Å; T253-D255 VanDerWaalsContact C-N 3.33Å; T253-D255 PolarHBondContact O-N 2.85Å
254K78.7Confident88.5Confident112 Ų11247.1 Ų47.149%0.48725%0.249SC..THydrogen-bonded Turntrans-56.5-42-165.4-173.7-172.9171-168.90114.2
255D76.4Confident87.3Confident147 Ų14753.6 Ų53.679%0.78628%0.279SS*.THydrogen-bonded Turntrans-12621.8-171.2-56.4-69.9000111.8T253T253-D255 VanDerWaalsContact C-N 3.33Å; T253-D255 PolarHBondContact O-N 2.85Å
256G78.1Confident85.8Confident34 Ų3453.6 Ų53.635%0.35128%0.28SS..SBendtrans-123.2169.4-175.900000113.7
257P81.7Confident84.5Confident57 Ų5761.3 Ų61.337%0.3731%0.312SS..  trans-66.4141.8178.329-34.3000111.1I259P257-I259 HydrophobicContact CB-CG1 4.47Å; P257-I259 HydrophobicContact CG-CD1 4.24Å; P257-I259 HydrophobicContact CG-CG1 4.24Å; P257-I259 PolarHBondContact O-N 3.42Å
258H89Confident83.7Confident88 Ų8861 Ų6141%0.40732%0.317SS..  trans-65.7127.4159160.189.9000108.2E225 H252 S260E225-H258 IonicContact OE1-CE1 3.92Å; E225-H258 PolarHBondContact OE1-CE1 3.38Å; H252-H258 AromaticContact CD2-ND1 3.85Å; H252-H258 AromaticContact CE1-CE1 3.98Å; H252-H258 AromaticContact CE1-CG 3.94Å; H252-H258 AromaticContact CE1-ND1 3.08Å; H252-H258 PolarHBondContact CE1-ND1 2.8Å; H252-H258 AromaticContact ND1-ND1 3.89Å; H252-H258 AromaticContact NE2-CE1 3.65Å; H252-H258 AromaticContact NE2-ND1 2.97Å; H252-H258 PolarHBondContact NE2-ND1 2.54Å; H258-S260 WeakPolarHBondContact NE2-CB 3.4Å; H258-S260 PolarHBondContact NE2-OG 2.91Å; H258-S260 VanDerWaalsContact NE2-OG 3.13Å
259I93.2Very high83.4Confident19 Ų1960.6 Ų60.610%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-121.9121.6179.5-64.3167.2000107.2C250 Y251 P257 I320 I323C250-I259 CarbonylContact C-O 3.57Å; C250-I259 WeakPolarHBondContact CA-O 3.4Å; Y251-I259 HydrophobicContact CD1-CD1 4.18Å; Y251-I259 PolarHBondContact N-O 2.86Å; Y251-I259 PolarHBondContact O-N 3.35Å; Y251-I259 VanDerWaalsContact O-N 3.14Å; P257-I259 HydrophobicContact CB-CG1 4.47Å; P257-I259 HydrophobicContact CG-CD1 4.24Å; P257-I259 HydrophobicContact CG-CG1 4.24Å; P257-I259 PolarHBondContact O-N 3.42Å; I259-I320 HydrophobicContact CD1-CB 4.43Å; I259-I320 HydrophobicContact CD1-CG2 4.05Å; I259-I320 VanDerWaalsContact CD1-O 3.31Å; I259-I320 WeakPolarHBondContact CD1-O 3.29Å; I259-I323 HydrophobicContact CG2-CD1 4.03Å; I259-I323 HydrophobicContact CG2-CG1 3.83Å
260S92.7Very high83.2Confident61 Ų6165.6 Ų65.643%0.42734%0.339SS..EExtended strand (participates in β ladder)trans-122.2142.8178.145.40000112.3I249 C250 H258I249-S260 CarbonylContact O-C 3.58Å; I249-S260 VanDerWaalsContact O-CA 3.31Å; I249-S260 WeakPolarHBondContact O-CA 3.33Å; C250-S260 WeakPolarHBondContact SG-CB 3.39Å; H258-S260 WeakPolarHBondContact NE2-CB 3.4Å; H258-S260 PolarHBondContact NE2-OG 2.91Å; H258-S260 VanDerWaalsContact NE2-OG 3.13Å
261Q93.2Very high83.2Confident75 Ų7565.9 Ų65.935%0.3534%0.341SS..EExtended strand (participates in β ladder)trans-145.3128.7-176.6177.755.354.100110.5I249 I323 I325I249-Q261 PolarHBondContact N-O 3.3Å; I249-Q261 PolarHBondContact O-N 3.5Å; Q261-I323 HydrophobicContact CB-CB 3.91Å; Q261-I323 HydrophobicContact CB-CG2 4.17Å; Q261-I323 HydrophobicContact CG-CB 4.36Å; Q261-I323 HydrophobicContact CG-CG2 4.35Å; Q261-I325 HydrophobicContact CB-CD1 4.32Å; Q261-I325 HydrophobicContact CG-CD1 3.72Å; Q261-I325 HydrophobicContact CG-CG1 3.95Å
262Y91.1Very high83.1Confident163 Ų16368.7 Ų68.764%0.63936%0.356SS*.EExtended strand (participates in β ladder)trans-72.4138.6175.9-72.6-79.3000111.9N247 I248 P264N247-Y262 WeakPolarHBondContact O-CA 3.44Å; N247-Y262 WeakPolarHBondContact O-CD1 3.43Å; I248-Y262 HydrophobicContact CB-CD1 4.39Å; I248-Y262 HydrophobicContact CD1-CE1 4.18Å; I248-Y262 HydrophobicContact CG1-CD1 4.45Å; Y262-P264 WeakPolarHBondContact O-CD 3.28Å
263I88Confident83.2Confident11 Ų1168.1 Ų68.16%0.05635%0.354CS..PPolyproline II helixtrans-76121.9173.4-51.5178000109G245 N247 I249 Q265 A266 V271 Y292 I325G245-I263 WeakPolarHBondContact O-CD1 3.26Å; N247-I263 PolarHBondContact O-N 3.3Å; I249-I263 HydrophobicContact CD1-CD1 4.18Å; I249-I263 HydrophobicContact CD1-CG1 4.05Å; I249-I263 HydrophobicContact CG1-CD1 3.88Å; I249-I263 HydrophobicContact CG1-CG1 3.74Å; I263-Q265 PolarHBondContact O-N 3.16Å; I263-A266 HydrophobicContact CB-CB 3.77Å; I263-A266 HydrophobicContact CG2-CB 3.63Å; I263-V271 HydrophobicContact CD1-CG2 3.98Å; I263-Y292 HydrophobicContact CG2-CD1 4.19Å; I263-Y292 HydrophobicContact CG2-CE1 3.89Å; I263-Y292 HydrophobicContact CG2-CE2 4.42Å; I263-I325 HydrophobicContact CB-CD1 4.47Å; I263-I325 HydrophobicContact CG1-CD1 4Å; I263-I325 HydrophobicContact CG2-CG2 4.41Å
264P79.2Confident83.6Confident54 Ų5470 Ų7035%0.35136%0.358SS..THydrogen-bonded Turntrans-60.3131.9176.2-23.334.5000111.9Y262 A266 Y292Y262-P264 WeakPolarHBondContact O-CD 3.28Å; P264-A266 PolarHBondContact O-N 3.14Å; P264-A266 VanDerWaalsContact O-N 3.12Å; P264-Y292 WeakPolarHBondContact O-CE1 3.2Å; P264-Y292 PolarHBondContact O-OH 3.31Å; P264-Y292 VanDerWaalsContact O-OH 3.04Å
265Q68.7Low84.4Confident136 Ų13665.1 Ų65.164%0.63634%0.338SS*.THydrogen-bonded Turntrans66.44171.7-48.3176.31.400116.8I263 K267 R290I263-Q265 PolarHBondContact O-N 3.16Å; Q265-K267 VanDerWaalsContact C-N 3.31Å; Q265-K267 PolarHBondContact O-N 3.09Å; Q265-R290 PolarHBondContact O-NH1 2.8Å
266A61.2Low85.3Confident2 Ų260.9 Ų60.92%0.01732%0.323CS..  trans-76.4-5.1-173.800000116.1D246 I263 P264 A268 S269D246-A266 WeakPolarHBondContact O-CB 3.25Å; I263-A266 HydrophobicContact CB-CB 3.77Å; I263-A266 HydrophobicContact CG2-CB 3.63Å; P264-A266 PolarHBondContact O-N 3.14Å; P264-A266 VanDerWaalsContact O-N 3.12Å; A266-A268 PolarHBondContact O-N 2.64Å; A266-S269 PolarHBondContact O-N 2.7Å; A266-S269 VanDerWaalsContact O-O 3.06Å
267K62.1Low86.1Confident188 Ų18860.3 Ų60.382%0.81731%0.313SS*.THydrogen-bonded Turntrans-56.95.2-177.5-78.1-170.3172.1-1740117.8Q265Q265-K267 VanDerWaalsContact C-N 3.31Å; Q265-K267 PolarHBondContact O-N 3.09Å
268A70.7Confident86.5Confident47 Ų4760.4 Ų60.439%0.38831%0.31SS..THydrogen-bonded Turntrans-146.421.2-178.100000112.4A266 M823A266-A268 PolarHBondContact O-N 2.64Å; A268-M823 HydrophobicContact CB-CE 3.5Å; A268-M823 VanDerWaalsContact CB-CE 3.5Å; A268-M823 HydrophobicContact CB-SD 3.95Å
269S86.3Confident86.6Confident11 Ų1157.4 Ų57.48%0.07730%0.301CS..  trans-152.2143.7-177.8-166.90000110.1A266 D286 M287 A288A266-S269 PolarHBondContact O-N 2.7Å; A266-S269 VanDerWaalsContact O-O 3.06Å; S269-D286 WeakPolarHBondContact CB-OD2 3.25Å; S269-D286 WeakPolarHBondContact OG-CB 3.32Å; S269-D286 PolarHBondContact OG-OD1 3.01Å; S269-D286 PolarHBondContact OG-OD2 2.87Å; S269-M287 PolarHBondContact OG-N 2.78Å; S269-A288 WeakPolarHBondContact OG-CB 3.24Å; S269-A288 PolarHBondContact OG-N 2.89Å
270Q89.8Confident86.5Confident105 Ų10559.6 Ų59.649%0.49131%0.311SS..  trans-97.8135.3-178.9-59.3-170.927.100110.4D246 D286 M287D246-Q270 VanDerWaalsContact OD1-CA 3.24Å; D246-Q270 WeakPolarHBondContact OD1-CA 3.5Å; Q270-D286 CarbonylContact O-C 3.6Å; Q270-D286 WeakPolarHBondContact O-CA 3.42Å; Q270-D286 WeakPolarHBondContact O-CB 3.49Å; Q270-M287 HydrophobicContact CB-CG 4.05Å; Q270-M287 PolarHBondContact O-N 3.34Å
271V92.9Very high86.7Confident8 Ų861.2 Ų61.25%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-75.8131.4174.2-177.40000108.9L230 V244 D246 I263 L284L230-V271 HydrophobicContact CD1-CG1 3.92Å; V244-V271 HydrophobicContact CG1-CB 4.38Å; V244-V271 HydrophobicContact CG1-CG1 3.95Å; V244-V271 HydrophobicContact CG1-CG2 4.44Å; D246-V271 PolarHBondContact OD1-N 2.93Å; I263-V271 HydrophobicContact CD1-CG2 3.98Å; V271-L284 HydrophobicContact CG1-CB 4.44Å; V271-L284 HydrophobicContact CG1-CD2 4.45Å
272L93.1Very high86.9Confident62 Ų6257.8 Ų57.833%0.32529%0.291SS..EExtended strand (participates in β ladder)trans-107.7-49.3-172.9-66.5177.1000112.9G285 M287 T333 P334L272-G285 PolarHBondContact N-O 3Å; L272-M287 HydrophobicContact CD1-CG 3.99Å; L272-M287 HydrophobicContact CD1-SD 3.68Å; L272-M287 HydrophobicContact CD2-CG 3.8Å; L272-M287 HydrophobicContact CD2-SD 3.81Å; L272-M287 HydrophobicContact CG-CG 3.99Å; L272-M287 HydrophobicContact CG-SD 4.16Å; L272-T333 HydrophobicContact CD1-CG2 4.19Å; L272-P334 VanDerWaalsContact CD1-O 3.29Å; L272-P334 WeakPolarHBondContact CD1-O 3.43Å
273C94.3Very high87.2Confident12 Ų1250 Ų508%0.08126%0.261CS..EExtended strand (participates in β ladder)trans-151.3165.6-167.261.90000111.9G285 P334 E335C273-G285 PolarHBondContact O-N 3.06Å; C273-P334 PolarHBondContact SG-O 2.93Å; C273-E335 WeakPolarHBondContact CB-O 3.49Å
274Y95.8Very high87.6Confident79 Ų7949.5 Ų49.531%0.3126%0.258SS..EExtended strand (participates in β ladder)trans-138.6162.9179.477.3-88.5000112.1L230 I232 L283L230-Y274 HydrophobicContact CD1-CD1 4.39Å; I232-Y274 HydrophobicContact CB-CE2 4.26Å; I232-Y274 HydrophobicContact CD1-CD1 3.99Å; I232-Y274 HydrophobicContact CD1-CD2 3.79Å; I232-Y274 HydrophobicContact CD1-CE1 4.47Å; I232-Y274 HydrophobicContact CD1-CE2 4.32Å; I232-Y274 HydrophobicContact CD1-CG 3.6Å; I232-Y274 HydrophobicContact CG1-CD1 3.78Å; I232-Y274 HydrophobicContact CG1-CD2 3.94Å; I232-Y274 HydrophobicContact CG1-CE1 3.79Å; I232-Y274 HydrophobicContact CG1-CE2 3.97Å; I232-Y274 HydrophobicContact CG1-CG 3.84Å; I232-Y274 HydrophobicContact CG2-CD2 4.01Å; I232-Y274 HydrophobicContact CG2-CE2 3.63Å; Y274-L283 CarbonylContact C-O 3.52Å; Y274-L283 WeakPolarHBondContact CA-O 3.45Å; Y274-L283 WeakPolarHBondContact CB-O 3.29Å
275A95.8Very high88.4Confident9 Ų947 Ų477%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-139140.2162.700000110.4Y282 L283 I337A275-Y282 CarbonylContact O-C 3.47Å; A275-Y282 WeakPolarHBondContact O-CA 3.46Å; A275-L283 HydrophobicContact CB-CB 4.42Å; A275-L283 PolarHBondContact N-O 2.86Å; A275-L283 PolarHBondContact O-N 3.05Å; A275-I337 HydrophobicContact CB-CB 3.9Å; A275-I337 HydrophobicContact CB-CG2 3.56Å
276A93.9Very high89.6Confident57 Ų5740.5 Ų40.547%0.47121%0.212SC..EExtended strand (participates in β ladder)trans-77.8132.1167.800000109.5Y282A276-Y282 HydrophobicContact CB-CD1 3.94Å; A276-Y282 HydrophobicContact CB-CE1 3.85Å
277V94.5Very high91Very high23 Ų2342.7 Ų42.714%0.13922%0.222CC..SBendtrans-93.3-44.1169.11790000109.1R281 L283 M293 Y339V277-R281 HydrophobicContact CB-CB 3.94Å; V277-R281 WeakPolarHBondContact CB-O 3.46Å; V277-R281 HydrophobicContact CG1-CB 4.41Å; V277-R281 PolarHBondContact N-O 3.13Å; V277-L283 HydrophobicContact CG2-CD1 4.03Å; V277-L283 HydrophobicContact CG2-CG 3.83Å; V277-M293 HydrophobicContact CG2-CE 4.33Å; V277-M293 HydrophobicContact CG2-SD 4.29Å; V277-Y339 HydrophobicContact CB-CD2 4.31Å; V277-Y339 HydrophobicContact CB-CG 4.45Å; V277-Y339 HydrophobicContact CG1-CD1 4.38Å; V277-Y339 HydrophobicContact CG1-CD2 3.97Å; V277-Y339 HydrophobicContact CG1-CE1 4.14Å; V277-Y339 HydrophobicContact CG1-CE2 3.71Å; V277-Y339 HydrophobicContact CG1-CG 4.31Å; V277-Y339 HydrophobicContact CG2-CD2 3.77Å; V277-Y339 HydrophobicContact CG2-CE2 4.25Å; V277-Y339 HydrophobicContact CG2-CG 4.17Å
278D91.5Very high92.4Very high58 Ų5835 Ų3531%0.3119%0.194SC..SBendtrans-157.6-166.7170.458.946.7000109.9Q280 R281D278-Q280 PolarHBondContact O-N 3.12Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.23Å; D278-Q280 PolarHBondContact OD1-N 3Å; D278-R281 PolarHBondContact N-O 3.34Å; D278-R281 PolarHBondContact OD1-N 2.83Å; D278-R281 IonicContact OD1-NE 3.18Å; D278-R281 IonicContact OD2-CZ 3.65Å; D278-R281 IonicContact OD2-NE 3.22Å; D278-R281 PolarHBondContact OD2-NE 2.93Å; D278-R281 IonicContact OD2-NH2 2.67Å; D278-R281 PolarHBondContact OD2-NH2 3.3Å
279A89.7Confident93.5Very high26 Ų2632.8 Ų32.822%0.21518%0.175CC..SBendtrans-67.4-14.8-179.400000114.9P235 Y238P235-A279 HydrophobicContact CG-CB 3.8Å; Y238-A279 HydrophobicContact CD2-CB 4.07Å; Y238-A279 WeakPolarHBondContact CD2-O 3.09Å; Y238-A279 HydrophobicContact CE2-CB 3.79Å
280Q93Very high93.9Very high64 Ų6434.8 Ų34.830%0.29918%0.181SC..SBendtrans-113.3-22.6179-63.4-170.9-67.700113.7Y238 D278 H295 L296 S298Y238-Q280 HydrophobicContact CE2-CG 3.53Å; Y238-Q280 VanDerWaalsContact OH-CG 3.26Å; Y238-Q280 WeakPolarHBondContact OH-CG 3.43Å; Y238-Q280 PolarHBondContact OH-NE2 2.8Å; D278-Q280 PolarHBondContact O-N 3.12Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.23Å; D278-Q280 PolarHBondContact OD1-N 3Å; Q280-H295 CarbonylContact O-C 3.55Å; Q280-H295 WeakPolarHBondContact O-CA 3.44Å; Q280-L296 PolarHBondContact NE2-O 2.77Å; Q280-L296 PolarHBondContact O-N 3.47Å; Q280-S298 PolarHBondContact NE2-OG 2.91Å
281R95.7Very high94.1Very high95 Ų9529.8 Ų29.836%0.35816%0.158SC..EExtended strand (participates in β ladder)trans-118.7129-170.9-67.5-176.1-65159.75.3112.2V277 D278 M293 V294V277-R281 HydrophobicContact CB-CB 3.94Å; V277-R281 WeakPolarHBondContact CB-O 3.46Å; V277-R281 HydrophobicContact CG1-CB 4.41Å; V277-R281 PolarHBondContact N-O 3.13Å; D278-R281 PolarHBondContact N-O 3.34Å; D278-R281 PolarHBondContact OD1-N 2.83Å; D278-R281 IonicContact OD1-NE 3.18Å; D278-R281 IonicContact OD2-CZ 3.65Å; D278-R281 IonicContact OD2-NE 3.22Å; D278-R281 PolarHBondContact OD2-NE 2.93Å; D278-R281 IonicContact OD2-NH2 2.67Å; D278-R281 PolarHBondContact OD2-NH2 3.3Å; R281-M293 HydrophobicContact CB-SD 4Å; R281-V294 WeakPolarHBondContact CA-O 3.45Å
282Y97.4Very high94.3Very high3 Ų329.5 Ų29.51%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-132139.3179-58.5-97.1000110.4I232 P235 I242 A275 A276 V294 L296I232-Y282 HydrophobicContact CG2-CD1 3.71Å; I232-Y282 HydrophobicContact CG2-CE1 3.52Å; P235-Y282 WeakPolarHBondContact CD-OH 3.49Å; I242-Y282 HydrophobicContact CD1-CD2 4.01Å; I242-Y282 HydrophobicContact CD1-CE2 3.94Å; I242-Y282 HydrophobicContact CD1-CG 4.49Å; A275-Y282 CarbonylContact O-C 3.47Å; A275-Y282 WeakPolarHBondContact O-CA 3.46Å; A276-Y282 HydrophobicContact CB-CD1 3.94Å; A276-Y282 HydrophobicContact CB-CE1 3.85Å; Y282-V294 PolarHBondContact N-O 2.81Å; Y282-V294 PolarHBondContact O-N 3.45Å; Y282-L296 HydrophobicContact CE2-CD1 3.82Å; Y282-L296 HydrophobicContact CE2-CG 4.17Å
283L97.5Very high94.4Very high0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-90.6140.2169.3-67.8170.3000109.6Y274 A275 V277 L291 Y292 M293 L328 I337 Y339 V345 L359Y274-L283 CarbonylContact C-O 3.52Å; Y274-L283 WeakPolarHBondContact CA-O 3.45Å; Y274-L283 WeakPolarHBondContact CB-O 3.29Å; A275-L283 HydrophobicContact CB-CB 4.42Å; A275-L283 PolarHBondContact N-O 2.86Å; A275-L283 PolarHBondContact O-N 3.05Å; V277-L283 HydrophobicContact CG2-CD1 4.03Å; V277-L283 HydrophobicContact CG2-CG 3.83Å; L283-L291 HydrophobicContact CB-CD1 4.28Å; L283-L291 HydrophobicContact CD2-CD1 4.35Å; L283-L291 HydrophobicContact CD2-CD2 4.21Å; L283-L291 HydrophobicContact CD2-CG 4.19Å; L283-Y292 CarbonylContact C-O 3.54Å; L283-Y292 VanDerWaalsContact CA-O 3.31Å; L283-Y292 WeakPolarHBondContact CA-O 3.48Å; L283-M293 HydrophobicContact CD2-CE 3.61Å; L283-M293 HydrophobicContact CD2-SD 3.95Å; L283-M293 HydrophobicContact CG-CE 4.37Å; L283-M293 HydrophobicContact CG-SD 4.45Å; L283-L328 HydrophobicContact CD2-CD1 3.67Å; L283-I337 HydrophobicContact CB-CG2 4.32Å; L283-I337 HydrophobicContact CD1-CG2 4.06Å; L283-Y339 HydrophobicContact CD1-CD2 4.42Å; L283-V345 HydrophobicContact CD1-CG1 3.95Å; L283-V345 HydrophobicContact CD1-CG2 3.79Å; L283-L359 HydrophobicContact CD1-CD1 4.41Å; L283-L359 HydrophobicContact CD2-CD1 4.04Å
284L96.2Very high94.5Very high1 Ų126.8 Ų26.81%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-125.7136.5170.1-63.7179.6000110.4I232 V244 I249 V271 L291 Y292 V294I232-L284 HydrophobicContact CD1-CD2 4.05Å; V244-L284 HydrophobicContact CG1-CD1 3.86Å; V244-L284 HydrophobicContact CG1-CD2 4.36Å; V244-L284 HydrophobicContact CG2-CD1 4.38Å; V244-L284 HydrophobicContact CG2-CD2 4.33Å; I249-L284 HydrophobicContact CD1-CD1 3.42Å; I249-L284 VanDerWaalsContact CD1-CD1 3.42Å; I249-L284 HydrophobicContact CG1-CD1 4.5Å; V271-L284 HydrophobicContact CG1-CB 4.44Å; V271-L284 HydrophobicContact CG1-CD2 4.45Å; L284-L291 WeakPolarHBondContact O-CA 3.37Å; L284-Y292 PolarHBondContact N-O 2.91Å; L284-Y292 PolarHBondContact O-N 3.16Å; L284-V294 HydrophobicContact CD1-CG2 3.55Å; L284-V294 HydrophobicContact CG-CG2 3.87Å
285G95.6Very high94.5Very high0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-115.7142.7176.100000112.5L272 C273 R290L272-G285 PolarHBondContact N-O 3Å; C273-G285 PolarHBondContact O-N 3.06Å; G285-R290 WeakPolarHBondContact CA-O 3.44Å
286D93.7Very high94.4Very high1 Ų125 Ų251%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-120.1166.2-179.784.73.9000113.9S269 Q270 A288 G289 R290 P334S269-D286 WeakPolarHBondContact CB-OD2 3.25Å; S269-D286 WeakPolarHBondContact OG-CB 3.32Å; S269-D286 PolarHBondContact OG-OD1 3.01Å; S269-D286 PolarHBondContact OG-OD2 2.87Å; Q270-D286 CarbonylContact O-C 3.6Å; Q270-D286 WeakPolarHBondContact O-CA 3.42Å; Q270-D286 WeakPolarHBondContact O-CB 3.49Å; D286-A288 PolarHBondContact O-N 2.93Å; D286-A288 VanDerWaalsContact O-N 3.17Å; D286-A288 VanDerWaalsContact OD1-C 3.32Å; D286-A288 WeakPolarHBondContact OD1-CA 3.36Å; D286-A288 WeakPolarHBondContact OD1-CB 3.29Å; D286-A288 PolarHBondContact OD1-N 3.45Å; D286-G289 WeakPolarHBondContact O-CA 3.45Å; D286-G289 PolarHBondContact O-N 3.09Å; D286-G289 PolarHBondContact OD1-N 2.78Å; D286-G289 VanDerWaalsContact OD1-N 3.09Å; D286-R290 PolarHBondContact N-O 3.21Å; D286-R290 WeakPolarHBondContact OD1-CB 3.44Å; D286-R290 PolarHBondContact OD1-N 2.82Å; D286-P334 VanDerWaalsContact O-CD 3.29Å; D286-P334 WeakPolarHBondContact O-CD 3.39Å
287M92.1Very high94.4Very high47 Ų4725.8 Ų25.823%0.23213%0.129CC..THydrogen-bonded Turntrans-57.5-25178-83.9-66.9-62.500114.4S269 Q270 L272 G289 T333 L351 Y404S269-M287 PolarHBondContact OG-N 2.78Å; Q270-M287 HydrophobicContact CB-CG 4.05Å; Q270-M287 PolarHBondContact O-N 3.34Å; L272-M287 HydrophobicContact CD1-CG 3.99Å; L272-M287 HydrophobicContact CD1-SD 3.68Å; L272-M287 HydrophobicContact CD2-CG 3.8Å; L272-M287 HydrophobicContact CD2-SD 3.81Å; L272-M287 HydrophobicContact CG-CG 3.99Å; L272-M287 HydrophobicContact CG-SD 4.16Å; M287-G289 PolarHBondContact O-N 3.48Å; M287-T333 WeakPolarHBondContact O-CG2 3.47Å; M287-T333 HydrophobicContact SD-CG2 4.45Å; M287-L351 HydrophobicContact CE-CD1 4.21Å; M287-Y404 HydrophobicContact CE-CD2 3.64Å; M287-Y404 HydrophobicContact CE-CE2 3.4Å; M287-Y404 VanDerWaalsContact CE-CE2 3.4Å; M287-Y404 HydrophobicContact CE-CG 4.47Å
288A91.5Very high94Very high27 Ų2727 Ų2722%0.22314%0.139CC..THydrogen-bonded Turntrans-83.64.8174.900000112.5S269 D286 R290 K405S269-A288 WeakPolarHBondContact OG-CB 3.24Å; S269-A288 PolarHBondContact OG-N 2.89Å; D286-A288 PolarHBondContact O-N 2.93Å; D286-A288 VanDerWaalsContact O-N 3.17Å; D286-A288 VanDerWaalsContact OD1-C 3.32Å; D286-A288 WeakPolarHBondContact OD1-CA 3.36Å; D286-A288 WeakPolarHBondContact OD1-CB 3.29Å; D286-A288 PolarHBondContact OD1-N 3.45Å; A288-R290 VanDerWaalsContact C-N 3.28Å; A288-R290 HydrophobicContact CB-CG 4.29Å; A288-R290 PolarHBondContact O-N 2.97Å; A288-K405 VanDerWaalsContact O-CD 3.3Å; A288-K405 WeakPolarHBondContact O-CD 3.29Å; A288-K405 WeakPolarHBondContact O-CE 3.41Å
289G93.1Very high93.4Very high0 Ų028.4 Ų28.40%014%0.144CC..  trans7117.1-17700000114D286 M287 E330 T331D286-G289 WeakPolarHBondContact O-CA 3.45Å; D286-G289 PolarHBondContact O-N 3.09Å; D286-G289 PolarHBondContact OD1-N 2.78Å; D286-G289 VanDerWaalsContact OD1-N 3.09Å; M287-G289 PolarHBondContact O-N 3.48Å; G289-E330 CarbonylContact O-C 3.48Å; G289-E330 WeakPolarHBondContact O-CA 3.31Å; G289-T331 PolarHBondContact O-N 2.71Å; G289-T331 PolarHBondContact O-OG1 2.94Å
290R93.9Very high92.1Very high53 Ų5333 Ų3320%0.217%0.165CC..EExtended strand (participates in β ladder)trans-78.6135.2177.2-58.9176-171.1155.4-1.1109.9Q265 G285 D286 A288 Y292 L327 G329Q265-R290 PolarHBondContact O-NH1 2.8Å; G285-R290 WeakPolarHBondContact CA-O 3.44Å; D286-R290 PolarHBondContact N-O 3.21Å; D286-R290 WeakPolarHBondContact OD1-CB 3.44Å; D286-R290 PolarHBondContact OD1-N 2.82Å; A288-R290 VanDerWaalsContact C-N 3.28Å; A288-R290 HydrophobicContact CB-CG 4.29Å; A288-R290 PolarHBondContact O-N 2.97Å; R290-Y292 HydrophobicContact CB-CD2 4.32Å; R290-Y292 HydrophobicContact CB-CE2 3.65Å; R290-Y292 WeakPolarHBondContact CD-OH 3.18Å; R290-L327 HydrophobicContact CB-CD1 3.85Å; R290-L327 HydrophobicContact CG-CD1 4.36Å; R290-G329 WeakPolarHBondContact CA-O 3.43Å
291L95.9Very high90.6Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-107.1123.3175.9-170.772.5000109.5L283 L284 L328 G329 T331 I337 I347 I357 L359 I371L283-L291 HydrophobicContact CB-CD1 4.28Å; L283-L291 HydrophobicContact CD2-CD1 4.35Å; L283-L291 HydrophobicContact CD2-CD2 4.21Å; L283-L291 HydrophobicContact CD2-CG 4.19Å; L284-L291 WeakPolarHBondContact O-CA 3.37Å; L291-L328 HydrophobicContact CD2-CD1 4Å; L291-L328 HydrophobicContact CG-CD1 4.19Å; L291-L328 WeakPolarHBondContact O-CB 3.15Å; L291-L328 PolarHBondContact O-N 3.34Å; L291-G329 PolarHBondContact N-O 3.42Å; L291-T331 HydrophobicContact CB-CG2 4.15Å; L291-T331 HydrophobicContact CD2-CG2 4.29Å; L291-I337 HydrophobicContact CD1-CD1 3.78Å; L291-I347 HydrophobicContact CD1-CD1 4.43Å; L291-I357 HydrophobicContact CD2-CD1 3.74Å; L291-L359 HydrophobicContact CD2-CD2 3.97Å; L291-I371 HydrophobicContact CB-CD1 3.96Å; L291-I371 HydrophobicContact CD2-CD1 3.95Å
292Y95.6Very high88.6Confident2 Ų234.3 Ų34.31%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-112.2146.3179.1-61.4-93.2000110.8I263 P264 L283 L284 R290 I325 E326 L327I263-Y292 HydrophobicContact CG2-CD1 4.19Å; I263-Y292 HydrophobicContact CG2-CE1 3.89Å; I263-Y292 HydrophobicContact CG2-CE2 4.42Å; P264-Y292 WeakPolarHBondContact O-CE1 3.2Å; P264-Y292 PolarHBondContact O-OH 3.31Å; P264-Y292 VanDerWaalsContact O-OH 3.04Å; L283-Y292 CarbonylContact C-O 3.54Å; L283-Y292 VanDerWaalsContact CA-O 3.31Å; L283-Y292 WeakPolarHBondContact CA-O 3.48Å; L284-Y292 PolarHBondContact N-O 2.91Å; L284-Y292 PolarHBondContact O-N 3.16Å; R290-Y292 HydrophobicContact CB-CD2 4.32Å; R290-Y292 HydrophobicContact CB-CE2 3.65Å; R290-Y292 WeakPolarHBondContact CD-OH 3.18Å; Y292-I325 HydrophobicContact CD1-CG2 4.15Å; Y292-E326 CarbonylContact C-O 3.59Å; Y292-E326 VanDerWaalsContact CA-O 3.23Å; Y292-E326 WeakPolarHBondContact CA-O 2.78Å; Y292-L327 HydrophobicContact CD1-CB 4.08Å; Y292-L327 HydrophobicContact CD1-CD1 4.07Å; Y292-L327 HydrophobicContact CE1-CB 4.05Å; Y292-L327 HydrophobicContact CE1-CD1 3.83Å; Y292-L327 HydrophobicContact CE1-CG 4.48Å; Y292-L327 HydrophobicContact CE2-CD1 4.46Å
293M96.1Very high86.2Confident14 Ų1438.5 Ų38.57%0.06922%0.223CC..EExtended strand (participates in β ladder)trans-103.9125.9166-171.569.975.800109.8V277 R281 L283 H295 I325 E326 L328 L359V277-M293 HydrophobicContact CG2-CE 4.33Å; V277-M293 HydrophobicContact CG2-SD 4.29Å; R281-M293 HydrophobicContact CB-SD 4Å; L283-M293 HydrophobicContact CD2-CE 3.61Å; L283-M293 HydrophobicContact CD2-SD 3.95Å; L283-M293 HydrophobicContact CG-CE 4.37Å; L283-M293 HydrophobicContact CG-SD 4.45Å; M293-H295 WeakPolarHBondContact CG-NE2 3.48Å; M293-I325 WeakPolarHBondContact O-CA 3.26Å; M293-E326 PolarHBondContact N-O 3.04Å; M293-E326 PolarHBondContact O-N 3.36Å; M293-L328 HydrophobicContact CB-CD1 4.11Å; M293-L328 HydrophobicContact CB-CD2 3.91Å; M293-L328 HydrophobicContact CB-CG 4.11Å; M293-L328 HydrophobicContact CE-CD1 4.21Å; M293-L359 HydrophobicContact CE-CD1 4.06Å
294V96.3Very high83.8Confident3 Ų342.5 Ų42.52%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-103.9123.1173.5-175.80000108.3I249 R281 Y282 L284 I323 I325I249-V294 HydrophobicContact CD1-CG1 4.32Å; I249-V294 HydrophobicContact CD1-CG2 3.63Å; R281-V294 WeakPolarHBondContact CA-O 3.45Å; Y282-V294 PolarHBondContact N-O 2.81Å; Y282-V294 PolarHBondContact O-N 3.45Å; L284-V294 HydrophobicContact CD1-CG2 3.55Å; L284-V294 HydrophobicContact CG-CG2 3.87Å; V294-I323 HydrophobicContact CG1-CG2 3.65Å; V294-I325 HydrophobicContact CG2-CG1 4.47Å; V294-I325 HydrophobicContact CG2-CG2 4.5Å
295H95.9Very high81.4Confident50 Ų5046.1 Ų46.123%0.23129%0.286CS..EExtended strand (participates in β ladder)trans-110.5120.2177.4-61.9-100.7000110.2Q280 M293 L297 I323 R324Q280-H295 CarbonylContact O-C 3.55Å; Q280-H295 WeakPolarHBondContact O-CA 3.44Å; M293-H295 WeakPolarHBondContact CG-NE2 3.48Å; H295-L297 HydrophobicContact CB-CD2 4.17Å; H295-L297 PolarHBondContact O-N 3.43Å; H295-I323 WeakPolarHBondContact O-CA 3.44Å; H295-R324 HydrophobicContact CB-CB 4.27Å; H295-R324 PolarHBondContact N-O 3.36Å; H295-R324 PolarHBondContact O-N 3.48Å
296L93.8Very high78.9Confident1 Ų153.9 Ų53.91%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-83.4106.2166.9-55.3-175.7000109.1V234 I242 Q280 Y282 I320 I323V234-L296 HydrophobicContact CG1-CD1 3.9Å; V234-L296 HydrophobicContact CG2-CD1 4.07Å; I242-L296 HydrophobicContact CD1-CD1 4.22Å; I242-L296 HydrophobicContact CD1-CD2 3.99Å; I242-L296 HydrophobicContact CD1-CG 4.45Å; I242-L296 HydrophobicContact CG1-CD2 4.44Å; Q280-L296 PolarHBondContact NE2-O 2.77Å; Q280-L296 PolarHBondContact O-N 3.47Å; Y282-L296 HydrophobicContact CE2-CD1 3.82Å; Y282-L296 HydrophobicContact CE2-CG 4.17Å; L296-I320 HydrophobicContact CB-CD1 3.69Å; L296-I320 HydrophobicContact CB-CG1 4.06Å; L296-I320 HydrophobicContact CB-CG2 4.1Å; L296-I320 HydrophobicContact CD1-CG1 4.4Å; L296-I323 HydrophobicContact CD2-CG1 4.06Å
297L93.2Very high76.3Confident73 Ų7361.4 Ų61.438%0.38237%0.368SS..EExtended strand (participates in β ladder)trans-87.1115.9-177.7-59.1179000109.8H295 G321 S322 R324H295-L297 HydrophobicContact CB-CD2 4.17Å; H295-L297 PolarHBondContact O-N 3.43Å; L297-G321 PolarHBondContact O-N 3.03Å; L297-S322 PolarHBondContact N-O 2.95Å; L297-S322 PolarHBondContact O-N 2.86Å; L297-R324 HydrophobicContact CD1-CB 4.05Å
298S86.1Confident73.7Confident50 Ų5062.6 Ų62.635%0.3539%0.392SS..EExtended strand (participates in β ladder)trans-72142.5176.949.60000112.1Q280 R319Q280-S298 PolarHBondContact NE2-OG 2.91Å; S298-R319 CarbonylContact C-O 3.55Å; S298-R319 VanDerWaalsContact CA-O 3.31Å; S298-R319 WeakPolarHBondContact CA-O 3.46Å
299E79.6Confident71.5Confident87 Ų8768.2 Ų68.241%0.40742%0.424SS..EExtended strand (participates in β ladder)trans-104.1114.8176.1-164.9179.8179.700109.9I301 R319E299-I301 PolarHBondContact O-N 2.98Å; E299-I301 VanDerWaalsContact O-N 3.08Å; E299-R319 HydrophobicContact CB-CG 3.98Å; E299-R319 PolarHBondContact N-O 2.92Å; E299-R319 IonicContact OE1-NH2 2.93Å; E299-R319 IonicContact OE2-CZ 2.69Å; E299-R319 IonicContact OE2-NE 2.74Å; E299-R319 PolarHBondContact OE2-NE 2.75Å; E299-R319 IonicContact OE2-NH2 3.23Å; E299-R319 PolarHBondContact OE2-NH2 3.21Å
300D62.8Low68.8Low122 Ų12274 Ų7465%0.65246%0.464SS*.  trans-72.3100-179.1-85.4-25.9000111.6S302 A303D300-S302 PolarHBondContact O-N 3.12Å; D300-A303 PolarHBondContact O-N 3.42Å
301I60.4Low66.3Low88 Ų8878.7 Ų78.745%0.45149%0.494SS..G310 helixtrans-64.2-11.9177.5-53178000112E299 A303 A304 A317 R319E299-I301 PolarHBondContact O-N 2.98Å; E299-I301 VanDerWaalsContact O-N 3.08Å; I301-A303 PolarHBondContact O-N 3.21Å; I301-A303 VanDerWaalsContact O-N 3.1Å; I301-A304 PolarHBondContact O-N 3.18Å; I301-A304 VanDerWaalsContact O-N 3.11Å; I301-A317 WeakPolarHBondContact CD1-O 3.36Å; I301-R319 HydrophobicContact CD1-CG 4.03Å; I301-R319 HydrophobicContact CG1-CG 4.2Å
302S54Low63.5Low98 Ų9884 Ų8469%0.68553%0.531SS*.G310 helixtrans-59.7-19.1177.6580000114.3D300D300-S302 PolarHBondContact O-N 3.12Å
303A47.2Very low60.7Low91 Ų9191.4 Ų91.475%0.75257%0.57SS**G310 helixtrans-78-16.117600000114.8D300 I301D300-A303 PolarHBondContact O-N 3.42Å; I301-A303 PolarHBondContact O-N 3.21Å; I301-A303 VanDerWaalsContact O-N 3.1Å
304A47.4Very low58.1Low85 Ų8595.8 Ų95.870%0.70260%0.603SS**SBendtrans-98.3-10.1-173.900000114.7I301 N306I301-A304 PolarHBondContact O-N 3.18Å; I301-A304 VanDerWaalsContact O-N 3.11Å; A304-N306 VanDerWaalsContact C-N 3.31Å; A304-N306 PolarHBondContact O-N 3.31Å
305A46.2Very low55.7Low77 Ų77103.5 Ų103.564%0.63664%0.643SS**  trans-86.721.5-168.500000115.6N307A305-N307 PolarHBondContact O-N 2.97Å; A305-N307 VanDerWaalsContact O-N 3.12Å
306N42.9Very low53.5Low162 Ų162105.8 Ų105.887%0.86666%0.664SS**  trans-82.627.9-179.5-104.5-11.3000114.5A304A304-N306 VanDerWaalsContact C-N 3.31Å; A304-N306 PolarHBondContact O-N 3.31Å
307N39Very low51.8Low159 Ų159109.5 Ų109.585%0.8570%0.695SS**SBendtrans-133113164.4-89.5-41.9000108.3A305A305-N307 PolarHBondContact O-N 2.97Å; A305-N307 VanDerWaalsContact O-N 3.12Å
308G37.8Very low50.9Low73 Ų73108.4 Ų108.475%0.75369%0.691SS**  trans-76.5138.3-160.400000115.4
309T45Very low50.7Low144 Ų144111.3 Ų111.388%0.88370%0.695SS**  trans-154.7125.4130.316.90000108.4N311T309-N311 PolarHBondContact O-N 2.63Å
310S34.9Very low51.1Low121 Ų121107.3 Ų107.385%0.84668%0.676SS**  trans-83.6106.9-178.853.40000111.1
311N41.6Very low52.3Low153 Ų153102.9 Ų102.982%0.81866%0.66SS**  trans-120.7115.7159.2-90.9-7.6000108.7T309 D313T309-N311 PolarHBondContact O-N 2.63Å; N311-D313 PolarHBondContact O-N 2.72Å
312S38.1Very low53.8Low111 Ų111101.3 Ų101.378%0.77666%0.656SS**THydrogen-bonded Turntrans-76.5113.7169.350.30000109.5
313D36.2Very low55.8Low158 Ų15897 Ų9785%0.84563%0.625SS**THydrogen-bonded Turntrans164.7-2.7148.6-88.9-5000113.4N311 L315N311-D313 PolarHBondContact O-N 2.72Å; D313-L315 PolarHBondContact O-N 2.69Å
314S41.4Very low58.1Low106 Ų10699 Ų9974%0.74161%0.613SS**  trans-75.8107.3166.858.50000110.5S316S314-S316 PolarHBondContact O-N 3.47Å
315L46.2Very low60.3Low165 Ų16595.8 Ų95.886%0.86458%0.584SS**  trans-52124.2153.7-87.887.1000106.9D313 A317D313-L315 PolarHBondContact O-N 2.69Å; L315-A317 PolarHBondContact O-N 3.13Å
316S49.8Very low62.6Low98 Ų9894.1 Ų94.169%0.68556%0.563SS**  trans-61.6103.7175.2510000108.6S314 V318S314-S316 PolarHBondContact O-N 3.47Å; S316-V318 PolarHBondContact O-N 3.41Å
317A58.1Low65Low79 Ų7989.1 Ų89.165%0.65354%0.536SS*.  trans-63.2102.2178.900000108.8I301 L315 R319I301-A317 WeakPolarHBondContact CD1-O 3.36Å; L315-A317 PolarHBondContact O-N 3.13Å; A317-R319 PolarHBondContact O-N 2.93Å; A317-R319 VanDerWaalsContact O-N 3.12Å
318V73.6Confident67.7Low50 Ų5082.2 Ų82.230%0.30350%0.499SS..  trans-69.5111.2179.7-170.10000107.4Y238 S316Y238-V318 HydrophobicContact CD1-CB 4.38Å; Y238-V318 HydrophobicContact CD1-CG1 4.29Å; Y238-V318 WeakPolarHBondContact CD1-O 3.35Å; Y238-V318 HydrophobicContact CE1-CB 4.09Å; Y238-V318 HydrophobicContact CE1-CG1 3.68Å; S316-V318 PolarHBondContact O-N 3.41Å
319R82.9Confident70.3Confident111 Ų11179.3 Ų79.342%0.41947%0.469SS..EExtended strand (participates in β ladder)trans-94.1147.6-179.769.9-172.6-123.2162.5-3.3110.4S298 E299 I301 A317S298-R319 CarbonylContact C-O 3.55Å; S298-R319 VanDerWaalsContact CA-O 3.31Å; S298-R319 WeakPolarHBondContact CA-O 3.46Å; E299-R319 HydrophobicContact CB-CG 3.98Å; E299-R319 PolarHBondContact N-O 2.92Å; E299-R319 IonicContact OE1-NH2 2.93Å; E299-R319 IonicContact OE2-CZ 2.69Å; E299-R319 IonicContact OE2-NE 2.74Å; E299-R319 PolarHBondContact OE2-NE 2.75Å; E299-R319 IonicContact OE2-NH2 3.23Å; E299-R319 PolarHBondContact OE2-NH2 3.21Å; I301-R319 HydrophobicContact CD1-CG 4.03Å; I301-R319 HydrophobicContact CG1-CG 4.2Å; A317-R319 PolarHBondContact O-N 2.93Å; A317-R319 VanDerWaalsContact O-N 3.12Å
320I88Confident72.6Confident2 Ų276.7 Ų76.71%0.0145%0.447CS..EExtended strand (participates in β ladder)trans-77.9133.1164.8-56.7-50.3000107.9Y238 Y251 I259 L296 S322Y238-I320 HydrophobicContact CD1-CD1 3.39Å; Y238-I320 HydrophobicContact CD1-CG1 4.13Å; Y238-I320 HydrophobicContact CD2-CD1 4.45Å; Y238-I320 HydrophobicContact CE1-CD1 3.77Å; Y238-I320 HydrophobicContact CG-CD1 3.79Å; Y238-I320 HydrophobicContact CG-CG1 4.28Å; Y251-I320 HydrophobicContact CD1-CB 4.3Å; Y251-I320 HydrophobicContact CD1-CG2 4.48Å; Y251-I320 HydrophobicContact CE1-CB 3.87Å; Y251-I320 HydrophobicContact CE1-CG1 4.18Å; I259-I320 HydrophobicContact CD1-CB 4.43Å; I259-I320 HydrophobicContact CD1-CG2 4.05Å; I259-I320 VanDerWaalsContact CD1-O 3.31Å; I259-I320 WeakPolarHBondContact CD1-O 3.29Å; L296-I320 HydrophobicContact CB-CD1 3.69Å; L296-I320 HydrophobicContact CB-CG1 4.06Å; L296-I320 HydrophobicContact CB-CG2 4.1Å; L296-I320 HydrophobicContact CD1-CG1 4.4Å; I320-S322 WeakPolarHBondContact CG2-O 3.31Å
321G87.9Confident75.5Confident30 Ų3071.1 Ų71.131%0.30941%0.408SS..EExtended strand (participates in β ladder)trans-105.7-28.5177.300000113.5L297L297-G321 PolarHBondContact O-N 3.03Å
322S92.9Very high78.1Confident54 Ų5463.9 Ų63.938%0.37837%0.369SS..EExtended strand (participates in β ladder)trans-157.2165.5177.159.80000112.9L297 I320L297-S322 PolarHBondContact N-O 2.95Å; L297-S322 PolarHBondContact O-N 2.86Å; I320-S322 WeakPolarHBondContact CG2-O 3.31Å
323I94.9Very high80.9Confident7 Ų758.7 Ų58.74%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-112.3133.3172.7-58.6170.4000107.9I249 I259 Q261 V294 H295 L296 I325I249-I323 HydrophobicContact CG2-CD1 4.08Å; I259-I323 HydrophobicContact CG2-CD1 4.03Å; I259-I323 HydrophobicContact CG2-CG1 3.83Å; Q261-I323 HydrophobicContact CB-CB 3.91Å; Q261-I323 HydrophobicContact CB-CG2 4.17Å; Q261-I323 HydrophobicContact CG-CB 4.36Å; Q261-I323 HydrophobicContact CG-CG2 4.35Å; V294-I323 HydrophobicContact CG1-CG2 3.65Å; H295-I323 WeakPolarHBondContact O-CA 3.44Å; L296-I323 HydrophobicContact CD2-CG1 4.06Å; I323-I325 HydrophobicContact CG2-CG1 4.03Å
324R94.9Very high83.8Confident133 Ų13351.2 Ų51.250%0.50229%0.293SS..EExtended strand (participates in β ladder)trans-112137.1166165.5179.6169.5170.9-2.1108.8H295 L297 E326H295-R324 HydrophobicContact CB-CB 4.27Å; H295-R324 PolarHBondContact N-O 3.36Å; H295-R324 PolarHBondContact O-N 3.48Å; L297-R324 HydrophobicContact CD1-CB 4.05Å; R324-E326 IonicContact CZ-OE2 3.98Å; R324-E326 IonicContact NE-OE2 3.72Å; R324-E326 PolarHBondContact NE-OE2 2.73Å; R324-E326 IonicContact NH2-OE1 3.54Å; R324-E326 IonicContact NH2-OE2 3.32Å; R324-E326 PolarHBondContact NH2-OE2 2.96Å
325I94.6Very high86.4Confident18 Ų1850.3 Ų50.39%0.09228%0.277CS..EExtended strand (participates in β ladder)trans-122.1131.7177-51.1173.3000108.1I249 Q261 I263 Y292 M293 V294 I323I249-I325 HydrophobicContact CB-CD1 4.28Å; I249-I325 HydrophobicContact CD1-CD1 3.51Å; I249-I325 HydrophobicContact CD1-CG1 4.19Å; I249-I325 HydrophobicContact CG1-CD1 3.89Å; Q261-I325 HydrophobicContact CB-CD1 4.32Å; Q261-I325 HydrophobicContact CG-CD1 3.72Å; Q261-I325 HydrophobicContact CG-CG1 3.95Å; I263-I325 HydrophobicContact CB-CD1 4.47Å; I263-I325 HydrophobicContact CG1-CD1 4Å; I263-I325 HydrophobicContact CG2-CG2 4.41Å; Y292-I325 HydrophobicContact CD1-CG2 4.15Å; M293-I325 WeakPolarHBondContact O-CA 3.26Å; V294-I325 HydrophobicContact CG2-CG1 4.47Å; V294-I325 HydrophobicContact CG2-CG2 4.5Å; I323-I325 HydrophobicContact CG2-CG1 4.03Å
326E93.1Very high88.7Confident43 Ų4342.7 Ų42.720%0.20124%0.237CC..EExtended strand (participates in β ladder)trans-130.5137-179.5-175.1156-173.700110.5Y292 M293 R324 Y370Y292-E326 CarbonylContact C-O 3.59Å; Y292-E326 VanDerWaalsContact CA-O 3.23Å; Y292-E326 WeakPolarHBondContact CA-O 2.78Å; M293-E326 PolarHBondContact N-O 3.04Å; M293-E326 PolarHBondContact O-N 3.36Å; R324-E326 IonicContact CZ-OE2 3.98Å; R324-E326 IonicContact NE-OE2 3.72Å; R324-E326 PolarHBondContact NE-OE2 2.73Å; R324-E326 IonicContact NH2-OE1 3.54Å; R324-E326 IonicContact NH2-OE2 3.32Å; R324-E326 PolarHBondContact NH2-OE2 2.96Å; E326-Y370 PolarHBondContact OE1-OH 2.87Å
327L93.8Very high91Very high56 Ų5638.5 Ų38.529%0.29321%0.207SC..EExtended strand (participates in β ladder)trans-83.2122.2173.9174.464.7000108.5R290 Y292R290-L327 HydrophobicContact CB-CD1 3.85Å; R290-L327 HydrophobicContact CG-CD1 4.36Å; Y292-L327 HydrophobicContact CD1-CB 4.08Å; Y292-L327 HydrophobicContact CD1-CD1 4.07Å; Y292-L327 HydrophobicContact CE1-CB 4.05Å; Y292-L327 HydrophobicContact CE1-CD1 3.83Å; Y292-L327 HydrophobicContact CE1-CG 4.48Å; Y292-L327 HydrophobicContact CE2-CD1 4.46Å
328L95.3Very high92.8Very high14 Ų1434.9 Ų34.97%0.07318%0.178CC..EExtended strand (participates in β ladder)trans-85.9-37.5179.3-57.8-177000112.3L283 L291 M293 L359 Y370 I371L283-L328 HydrophobicContact CD2-CD1 3.67Å; L291-L328 HydrophobicContact CD2-CD1 4Å; L291-L328 HydrophobicContact CG-CD1 4.19Å; L291-L328 WeakPolarHBondContact O-CB 3.15Å; L291-L328 PolarHBondContact O-N 3.34Å; M293-L328 HydrophobicContact CB-CD1 4.11Å; M293-L328 HydrophobicContact CB-CD2 3.91Å; M293-L328 HydrophobicContact CB-CG 4.11Å; M293-L328 HydrophobicContact CE-CD1 4.21Å; L328-L359 HydrophobicContact CD1-CD1 4Å; L328-L359 HydrophobicContact CD1-CD2 3.96Å; L328-Y370 HydrophobicContact CD2-CD2 4.16Å; L328-Y370 HydrophobicContact CD2-CG 4.35Å; L328-Y370 PolarHBondContact O-N 3.3Å; L328-I371 HydrophobicContact CB-CD1 4.17Å; L328-I371 HydrophobicContact CB-CG1 4.16Å
329G93.9Very high93.9Very high12 Ų1234.6 Ų34.612%0.12417%0.171CC..EExtended strand (participates in β ladder)trans158.8-162.9-177.200000112.4R290 L291R290-G329 WeakPolarHBondContact CA-O 3.43Å; L291-G329 PolarHBondContact N-O 3.42Å
330E93.5Very high94.5Very high90 Ų9029.9 Ų29.942%0.42116%0.155SC..EExtended strand (participates in β ladder)trans-112.9134174.4-168.6177.114700110G289 K405 R834G289-E330 CarbonylContact O-C 3.48Å; G289-E330 WeakPolarHBondContact O-CA 3.31Å; E330-K405 WeakPolarHBondContact OE1-CD 3.36Å; E330-K405 WeakPolarHBondContact OE1-CE 3.31Å; E330-K405 IonicContact OE1-NZ 2.7Å; E330-K405 PolarHBondContact OE1-NZ 3.47Å; E330-R834 IonicContact OE1-CZ 3.44Å; E330-R834 IonicContact OE1-NH2 2.71Å; E330-R834 PolarHBondContact OE1-NH2 2.99Å; E330-R834 IonicContact OE2-NH2 3.2Å
331T95.9Very high94.7Very high4 Ų433.9 Ų33.93%0.02518%0.176CC..  trans-118.2-176.6175.561.80000109.4G289 L291 I347 I357 I371 K405G289-T331 PolarHBondContact O-N 2.71Å; G289-T331 PolarHBondContact O-OG1 2.94Å; L291-T331 HydrophobicContact CB-CG2 4.15Å; L291-T331 HydrophobicContact CD2-CG2 4.29Å; T331-I347 HydrophobicContact CG2-CG1 4.23Å; T331-I357 HydrophobicContact CG2-CD1 3.76Å; T331-I371 HydrophobicContact CG2-CD1 3.64Å; T331-I371 HydrophobicContact CG2-CG2 4.35Å; T331-K405 WeakPolarHBondContact O-CE 3.48Å; T331-K405 PolarHBondContact O-NZ 3.26Å
332A96Very high94.8Very high1 Ų138 Ų381%0.00819%0.191CC..SBendtrans-54.5151.1156.600000111.3P334 I347 D353 Q355 E406A332-P334 VanDerWaalsContact O-CD 3.3Å; A332-P334 WeakPolarHBondContact O-CD 3.48Å; A332-I347 HydrophobicContact CB-CG2 4.35Å; A332-D353 WeakPolarHBondContact CB-O 3.47Å; A332-Q355 HydrophobicContact CB-CG 4.06Å; A332-E406 WeakPolarHBondContact CA-OE1 3.31Å
333T96.7Very high94.8Very high2 Ų236 Ų361%0.01218%0.179CC..  trans-62.6113.7177.5-54.60000110.3L272 M287 S349 L351 K405 E406L272-T333 HydrophobicContact CD1-CG2 4.19Å; M287-T333 WeakPolarHBondContact O-CG2 3.47Å; M287-T333 HydrophobicContact SD-CG2 4.45Å; T333-S349 WeakPolarHBondContact O-CB 3.5Å; T333-S349 PolarHBondContact O-OG 3.48Å; T333-L351 HydrophobicContact CG2-CD1 4.2Å; T333-K405 WeakPolarHBondContact OG1-CE 3.36Å; T333-E406 PolarHBondContact N-OE1 2.73Å; T333-E406 PolarHBondContact OG1-OE1 2.69Å
334P96.9Very high94.9Very high1 Ų136.9 Ų36.91%0.00619%0.185CC..  trans-89.8120.5-164.633.8-33.4000112.8L272 C273 D286 A332 I337 I347L272-P334 VanDerWaalsContact CD1-O 3.29Å; L272-P334 WeakPolarHBondContact CD1-O 3.43Å; C273-P334 PolarHBondContact SG-O 2.93Å; D286-P334 VanDerWaalsContact O-CD 3.29Å; D286-P334 WeakPolarHBondContact O-CD 3.39Å; A332-P334 VanDerWaalsContact O-CD 3.3Å; A332-P334 WeakPolarHBondContact O-CD 3.48Å; P334-I337 HydrophobicContact CB-CD1 4.32Å; P334-I337 HydrophobicContact CB-CG1 3.99Å; P334-I347 HydrophobicContact CB-CG2 3.89Å
335E95.2Very high95Very high87 Ų8730.6 Ų30.641%0.40716%0.161SC..SBendtrans-80.4-40.6163.6-171.676.3-143.400110.4C273 G348 T350C273-E335 WeakPolarHBondContact CB-O 3.49Å; E335-G348 PolarHBondContact N-O 2.87Å; E335-T350 HydrophobicContact CB-CG2 3.9Å; E335-T350 HydrophobicContact CG-CG2 3.63Å; E335-T350 WeakPolarHBondContact OE2-CB 3.48Å; E335-T350 VanDerWaalsContact OE2-CG2 3.23Å; E335-T350 WeakPolarHBondContact OE2-CG2 3.38Å; E335-T350 PolarHBondContact OE2-OG1 3.2Å
336S95.4Very high95.2Very high4 Ų429.8 Ų29.83%0.02816%0.157CC..EExtended strand (participates in β ladder)trans-145.7130.7-175.6-1670000110.7T18 G348T18-S336 PolarHBondContact N-OG 3.12Å; T18-S336 WeakPolarHBondContact OG1-CB 3.36Å; T18-S336 PolarHBondContact OG1-OG 3.18Å; S336-G348 PolarHBondContact N-O 2.84Å; S336-G348 VanDerWaalsContact N-O 3.15Å; S336-G348 PolarHBondContact O-N 3.01Å
337I97.4Very high95.4Very high10 Ų1027.8 Ų27.85%0.05115%0.147CC..EExtended strand (participates in β ladder)trans-108.4134177.7-60.2168.2000108.1A275 L283 L291 P334 V345 I347A275-I337 HydrophobicContact CB-CB 3.9Å; A275-I337 HydrophobicContact CB-CG2 3.56Å; L283-I337 HydrophobicContact CB-CG2 4.32Å; L283-I337 HydrophobicContact CD1-CG2 4.06Å; L291-I337 HydrophobicContact CD1-CD1 3.78Å; P334-I337 HydrophobicContact CB-CD1 4.32Å; P334-I337 HydrophobicContact CB-CG1 3.99Å; I337-V345 HydrophobicContact CG2-CG1 3.57Å; I337-I347 HydrophobicContact CG1-CD1 4.05Å; I337-I347 HydrophobicContact CG2-CD1 4.16Å
338A96.8Very high95.6Very high4 Ų425.1 Ų25.13%0.03313%0.133CC..EExtended strand (participates in β ladder)trans-128106.2174.600000109.7T20 L31 V345 F346T20-A338 HydrophobicContact CG2-CB 3.74Å; L31-A338 HydrophobicContact CD1-CB 3.76Å; A338-V345 CarbonylContact O-C 3.27Å; A338-V345 WeakPolarHBondContact O-CA 3.48Å; A338-V345 WeakPolarHBondContact O-CG1 3.45Å; A338-F346 HydrophobicContact CB-CB 4.32Å; A338-F346 PolarHBondContact N-O 3.23Å; A338-F346 PolarHBondContact O-N 3.13Å
339Y96.5Very high95.7Very high43 Ų4324.4 Ų24.417%0.16913%0.13CC..EExtended strand (participates in β ladder)trans-69.2132166.1-174.5-90.9000109V277 L283 G343 V345V277-Y339 HydrophobicContact CB-CD2 4.31Å; V277-Y339 HydrophobicContact CB-CG 4.45Å; V277-Y339 HydrophobicContact CG1-CD1 4.38Å; V277-Y339 HydrophobicContact CG1-CD2 3.97Å; V277-Y339 HydrophobicContact CG1-CE1 4.14Å; V277-Y339 HydrophobicContact CG1-CE2 3.71Å; V277-Y339 HydrophobicContact CG1-CG 4.31Å; V277-Y339 HydrophobicContact CG2-CD2 3.77Å; V277-Y339 HydrophobicContact CG2-CE2 4.25Å; V277-Y339 HydrophobicContact CG2-CG 4.17Å; L283-Y339 HydrophobicContact CD1-CD2 4.42Å; Y339-G343 PolarHBondContact OH-N 3.42Å; Y339-G343 VanDerWaalsContact OH-N 3.17Å; Y339-V345 HydrophobicContact CD2-CG2 3.82Å; Y339-V345 HydrophobicContact CE2-CG2 4.41Å
340L94.9Very high95.8Very high13 Ų1325 Ų257%0.06813%0.131CC..  trans-99.9-92.3178.5-53.8-176.5000109.4T20 L29 L31 V44 L49 V344 L356T20-L340 HydrophobicContact CG2-CD2 3.62Å; L29-L340 HydrophobicContact CD2-CB 4.43Å; L31-L340 HydrophobicContact CB-CD2 4.08Å; L31-L340 HydrophobicContact CD1-CD2 4.2Å; L31-L340 HydrophobicContact CD2-CD2 4.35Å; L31-L340 HydrophobicContact CG-CD2 4.44Å; V44-L340 HydrophobicContact CG1-CB 4.31Å; V44-L340 HydrophobicContact CG1-CD1 4.21Å; V44-L340 HydrophobicContact CG2-CD1 4.14Å; V44-L340 HydrophobicContact CG2-CD2 4.18Å; L49-L340 HydrophobicContact CD2-CD1 3.91Å; L340-V344 HydrophobicContact CD1-CG1 4.05Å; L340-V344 PolarHBondContact N-O 2.62Å; L340-L356 HydrophobicContact CD1-CD1 3.94Å
341D91.4Very high96Very high85 Ų8522.2 Ų22.246%0.45512%0.119SC..SBendtrans-157.8167.5174.2-171.420.2000109.6L29 G343 V344L29-D341 HydrophobicContact CD2-CB 4.21Å; D341-G343 PolarHBondContact O-N 3.37Å; D341-V344 WeakPolarHBondContact O-CB 3.35Å; D341-V344 PolarHBondContact O-N 3.07Å
342N90.7Very high95.9Very high117 Ų11722 Ų2263%0.62612%0.118SC*.THydrogen-bonded Turntrans54.228.5174-62.4-69.5000115.1V344N342-V344 VanDerWaalsContact C-N 3.31Å
343G93.1Very high95.9Very high12 Ų1223.3 Ų23.312%0.12412%0.124CC..THydrogen-bonded Turntrans815.7-177.500000114.3Y339 D341 L359Y339-G343 PolarHBondContact OH-N 3.42Å; Y339-G343 VanDerWaalsContact OH-N 3.17Å; D341-G343 PolarHBondContact O-N 3.37Å; G343-L359 PolarHBondContact O-N 2.8Å
344V96.3Very high96Very high26 Ų2623.3 Ų23.316%0.15812%0.124CC..EExtended strand (participates in β ladder)trans-82.5133.4174.1-173.10000109.9L340 D341 N342 L356 I357 L374L340-V344 HydrophobicContact CD1-CG1 4.05Å; L340-V344 PolarHBondContact N-O 2.62Å; D341-V344 WeakPolarHBondContact O-CB 3.35Å; D341-V344 PolarHBondContact O-N 3.07Å; N342-V344 VanDerWaalsContact C-N 3.31Å; V344-L356 HydrophobicContact CG1-CD1 3.59Å; V344-L356 HydrophobicContact CG1-CD2 4.42Å; V344-L356 HydrophobicContact CG1-CG 3.95Å; V344-I357 CarbonylContact C-O 3.5Å; V344-I357 WeakPolarHBondContact CA-O 3.45Å; V344-L374 HydrophobicContact CG1-CD1 4.24Å; V344-L374 HydrophobicContact CG2-CD1 4.41Å
345V97.6Very high96Very high0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-133.5136.1-179.2-173.50000108.7L283 I337 A338 Y339 I347 I357 L359L283-V345 HydrophobicContact CD1-CG1 3.95Å; L283-V345 HydrophobicContact CD1-CG2 3.79Å; I337-V345 HydrophobicContact CG2-CG1 3.57Å; A338-V345 CarbonylContact O-C 3.27Å; A338-V345 WeakPolarHBondContact O-CA 3.48Å; A338-V345 WeakPolarHBondContact O-CG1 3.45Å; Y339-V345 HydrophobicContact CD2-CG2 3.82Å; Y339-V345 HydrophobicContact CE2-CG2 4.41Å; V345-I347 HydrophobicContact CG1-CD1 3.91Å; V345-I357 HydrophobicContact CB-CD1 4.18Å; V345-I357 HydrophobicContact CB-CG1 3.78Å; V345-I357 PolarHBondContact N-O 3.02Å; V345-I357 WeakPolarHBondContact O-CG1 3.29Å; V345-I357 PolarHBondContact O-N 2.99Å; V345-L359 HydrophobicContact CG2-CD1 3.91Å; V345-L359 HydrophobicContact CG2-CG 4.02Å
346F98.1Very high96Very high2 Ų220.5 Ų20.51%0.00911%0.111CC..EExtended strand (participates in β ladder)trans-96.8130.2168-177.1-82.1000110.2V15 T18 L31 I33 L49 A338 L356 Y377V15-F346 HydrophobicContact CG1-CE1 4.39Å; T18-F346 HydrophobicContact CG2-CD1 3.75Å; T18-F346 HydrophobicContact CG2-CE1 3.71Å; L31-F346 HydrophobicContact CD2-CB 3.77Å; L31-F346 HydrophobicContact CD2-CD1 4.3Å; L31-F346 HydrophobicContact CD2-CD2 3.73Å; L31-F346 HydrophobicContact CD2-CE2 4.41Å; L31-F346 HydrophobicContact CD2-CG 3.66Å; I33-F346 HydrophobicContact CD1-CD2 4.41Å; I33-F346 HydrophobicContact CD1-CE1 4.07Å; I33-F346 HydrophobicContact CD1-CE2 3.71Å; I33-F346 HydrophobicContact CD1-CZ 3.53Å; I33-F346 HydrophobicContact CG1-CZ 4.47Å; L49-F346 HydrophobicContact CD1-CD2 4.04Å; A338-F346 HydrophobicContact CB-CB 4.32Å; A338-F346 PolarHBondContact N-O 3.23Å; A338-F346 PolarHBondContact O-N 3.13Å; F346-L356 HydrophobicContact CB-CD1 4.22Å; F346-L356 HydrophobicContact CD2-CD1 4.33Å; F346-Y377 HydrophobicContact CD2-CE2 4.08Å; F346-Y377 AromaticContact CE2-CD2 3.66Å; F346-Y377 HydrophobicContact CE2-CD2 3.66Å; F346-Y377 AromaticContact CE2-CE2 3.49Å; F346-Y377 HydrophobicContact CE2-CE2 3.49Å; F346-Y377 VanDerWaalsContact CE2-CE2 3.49Å; F346-Y377 HydrophobicContact CZ-CD2 4.3Å
347I98.2Very high96.1Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-109.1101.3177.7-55.4-60.5000108.1L291 T331 A332 P334 I337 V345 S354 Q355 I357L291-I347 HydrophobicContact CD1-CD1 4.43Å; T331-I347 HydrophobicContact CG2-CG1 4.23Å; A332-I347 HydrophobicContact CB-CG2 4.35Å; P334-I347 HydrophobicContact CB-CG2 3.89Å; I337-I347 HydrophobicContact CG1-CD1 4.05Å; I337-I347 HydrophobicContact CG2-CD1 4.16Å; V345-I347 HydrophobicContact CG1-CD1 3.91Å; I347-S354 CarbonylContact O-C 3.57Å; I347-S354 VanDerWaalsContact O-CA 3.32Å; I347-S354 WeakPolarHBondContact O-CA 3.33Å; I347-S354 VanDerWaalsContact O-CB 3.3Å; I347-S354 WeakPolarHBondContact O-CB 3.33Å; I347-Q355 HydrophobicContact CB-CB 4.34Å; I347-Q355 PolarHBondContact N-O 3.19Å; I347-Q355 PolarHBondContact O-N 3.15Å; I347-I357 HydrophobicContact CD1-CD1 4.05Å; I347-I357 HydrophobicContact CG1-CD1 3.87Å; I347-I357 HydrophobicContact CG1-CG1 4.17Å; I347-I357 HydrophobicContact CG1-CG2 4.43Å
348G97.7Very high96Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-81.8128.5172.600000110.6E335 S336E335-G348 PolarHBondContact N-O 2.87Å; S336-G348 PolarHBondContact N-O 2.84Å; S336-G348 VanDerWaalsContact N-O 3.15Å; S336-G348 PolarHBondContact O-N 3.01Å
349S97.8Very high96Very high0 Ų026.4 Ų26.40%013%0.133CC..  trans-124.1140.4178.8-170.50000111.8V15 T333 L351 G352 S354 N379V15-S349 PolarHBondContact N-O 2.86Å; T333-S349 WeakPolarHBondContact O-CB 3.5Å; T333-S349 PolarHBondContact O-OG 3.48Å; S349-L351 PolarHBondContact OG-N 2.75Å; S349-G352 VanDerWaalsContact CB-O 3.32Å; S349-G352 WeakPolarHBondContact CB-O 3.23Å; S349-G352 PolarHBondContact OG-N 2.91Å; S349-G352 PolarHBondContact OG-O 2.94Å; S349-S354 PolarHBondContact N-OG 2.87Å; S349-N379 PolarHBondContact O-ND2 2.84Å
350T96.3Very high95.9Very high24 Ų2426.5 Ų26.515%0.14714%0.137CC..SBendtrans-91.5-30.5168.347.80000112.2V15 E335 N379V15-T350 WeakPolarHBondContact O-CG2 3.38Å; E335-T350 HydrophobicContact CB-CG2 3.9Å; E335-T350 HydrophobicContact CG-CG2 3.63Å; E335-T350 WeakPolarHBondContact OE2-CB 3.48Å; E335-T350 VanDerWaalsContact OE2-CG2 3.23Å; E335-T350 WeakPolarHBondContact OE2-CG2 3.38Å; E335-T350 PolarHBondContact OE2-OG1 3.2Å; T350-N379 PolarHBondContact O-ND2 2.8Å
351L96.2Very high95.8Very high32 Ų3231.3 Ų31.317%0.16817%0.169CC..SBendtrans-95.4-19.5-172.5-58-175.6000114.6M287 T333 S349 P382 G402 A403 Y404 E406M287-L351 HydrophobicContact CE-CD1 4.21Å; T333-L351 HydrophobicContact CG2-CD1 4.2Å; S349-L351 PolarHBondContact OG-N 2.75Å; L351-P382 HydrophobicContact CD2-CG 4.15Å; L351-G402 WeakPolarHBondContact O-CA 3.38Å; L351-A403 HydrophobicContact CD1-CB 4.46Å; L351-A403 HydrophobicContact CD2-CB 4.18Å; L351-A403 PolarHBondContact O-N 3.28Å; L351-Y404 HydrophobicContact CD1-CD2 4.1Å; L351-Y404 HydrophobicContact CD1-CE2 4.34Å; L351-E406 HydrophobicContact CB-CG 4.39Å; L351-E406 WeakPolarHBondContact O-CB 3.43Å
352G94.6Very high95.8Very high0 Ų033.1 Ų33.10%018%0.178CC..SBendtrans-149.9-172.9-177.400000112.7S349 N379S349-G352 VanDerWaalsContact CB-O 3.32Å; S349-G352 WeakPolarHBondContact CB-O 3.23Å; S349-G352 PolarHBondContact OG-N 2.91Å; S349-G352 PolarHBondContact OG-O 2.94Å; G352-N379 WeakPolarHBondContact O-CB 3.36Å; G352-N379 PolarHBondContact O-ND2 2.96Å
353D96.7Very high95.8Very high27 Ų2729.9 Ų29.914%0.14416%0.164CC..  trans-65.2134.3179.3-66.4-14.2000110.2A332 T376 Y377 T378 N379 R410A332-D353 WeakPolarHBondContact CB-O 3.47Å; D353-T376 HydrophobicContact CB-CG2 3.54Å; D353-Y377 CarbonylContact C-O 3.25Å; D353-Y377 WeakPolarHBondContact CA-O 3.41Å; D353-Y377 WeakPolarHBondContact CB-O 3.5Å; D353-T378 WeakPolarHBondContact OD1-CA 3.28Å; D353-N379 PolarHBondContact OD1-N 2.78Å; D353-R410 VanDerWaalsContact CG-NH1 3.32Å; D353-R410 IonicContact OD1-CZ 2.94Å; D353-R410 VanDerWaalsContact OD1-CZ 3.22Å; D353-R410 IonicContact OD1-NH1 3.54Å; D353-R410 PolarHBondContact OD1-NH1 3.02Å; D353-R410 IonicContact OD1-NH2 3.41Å; D353-R410 PolarHBondContact OD1-NH2 3.47Å; D353-R410 IonicContact OD2-CZ 3.26Å; D353-R410 IonicContact OD2-NH1 2.73Å; D353-R410 PolarHBondContact OD2-NH1 2.69Å; D353-R410 IonicContact OD2-NH2 3.84Å
354S97.6Very high95.6Very high3 Ų332 Ų322%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-77.3154176.4-63.60000110.1V15 I347 S349 T376 Y377V15-S354 WeakPolarHBondContact CG2-OG 3.3Å; I347-S354 CarbonylContact O-C 3.57Å; I347-S354 VanDerWaalsContact O-CA 3.32Å; I347-S354 WeakPolarHBondContact O-CA 3.33Å; I347-S354 VanDerWaalsContact O-CB 3.3Å; I347-S354 WeakPolarHBondContact O-CB 3.33Å; S349-S354 PolarHBondContact N-OG 2.87Å; S354-T376 CarbonylContact O-C 3.59Å; S354-T376 WeakPolarHBondContact O-CA 3.43Å; S354-Y377 PolarHBondContact N-O 2.85Å; S354-Y377 PolarHBondContact O-N 2.8Å
355Q97Very high95.1Very high23 Ų2336.8 Ų36.811%0.10720%0.204CC..EExtended strand (participates in β ladder)trans-134.4138.2-170.8-66.9174.7-1400112.3A332 I347 I357 E375A332-Q355 HydrophobicContact CB-CG 4.06Å; I347-Q355 HydrophobicContact CB-CB 4.34Å; I347-Q355 PolarHBondContact N-O 3.19Å; I347-Q355 PolarHBondContact O-N 3.15Å; Q355-I357 HydrophobicContact CB-CG2 3.94Å; Q355-E375 WeakPolarHBondContact CA-O 3.2Å
356L96.7Very high94.6Very high6 Ų645.4 Ų45.43%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-94120.7159.6-169.267.5000107.7L49 L340 V344 F346 L374 E375 Y377L49-L356 HydrophobicContact CD1-CD1 3.96Å; L49-L356 HydrophobicContact CD1-CD2 4.29Å; L49-L356 HydrophobicContact CG-CD1 4.33Å; L49-L356 HydrophobicContact CG-CD2 4.17Å; L340-L356 HydrophobicContact CD1-CD1 3.94Å; V344-L356 HydrophobicContact CG1-CD1 3.59Å; V344-L356 HydrophobicContact CG1-CD2 4.42Å; V344-L356 HydrophobicContact CG1-CG 3.95Å; F346-L356 HydrophobicContact CB-CD1 4.22Å; F346-L356 HydrophobicContact CD2-CD1 4.33Å; L356-L374 HydrophobicContact CD2-CB 4.47Å; L356-L374 HydrophobicContact CD2-CD1 4.37Å; L356-L374 HydrophobicContact CG-CB 4.44Å; L356-L374 HydrophobicContact CG-CD1 4.35Å; L356-L374 WeakPolarHBondContact O-CB 3.46Å; L356-L374 PolarHBondContact O-N 2.84Å; L356-E375 HydrophobicContact CB-CB 4Å; L356-E375 PolarHBondContact N-O 2.94Å; L356-E375 PolarHBondContact O-N 3.32Å; L356-Y377 HydrophobicContact CB-CE2 4.15Å
357I96.7Very high93.8Very high0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-121.6157.6-177.368.6171000111.4L291 T331 V344 V345 I347 Q355 L359 I371 T372 I373L291-I357 HydrophobicContact CD2-CD1 3.74Å; T331-I357 HydrophobicContact CG2-CD1 3.76Å; V344-I357 CarbonylContact C-O 3.5Å; V344-I357 WeakPolarHBondContact CA-O 3.45Å; V345-I357 HydrophobicContact CB-CD1 4.18Å; V345-I357 HydrophobicContact CB-CG1 3.78Å; V345-I357 PolarHBondContact N-O 3.02Å; V345-I357 WeakPolarHBondContact O-CG1 3.29Å; V345-I357 PolarHBondContact O-N 2.99Å; I347-I357 HydrophobicContact CD1-CD1 4.05Å; I347-I357 HydrophobicContact CG1-CD1 3.87Å; I347-I357 HydrophobicContact CG1-CG1 4.17Å; I347-I357 HydrophobicContact CG1-CG2 4.43Å; Q355-I357 HydrophobicContact CB-CG2 3.94Å; I357-L359 HydrophobicContact CD1-CD2 4.06Å; I357-I371 HydrophobicContact CB-CG2 3.91Å; I357-I371 HydrophobicContact CD1-CG2 3.92Å; I357-I371 HydrophobicContact CG1-CG2 4.46Å; I357-I371 HydrophobicContact CG2-CG2 4.04Å; I357-T372 CarbonylContact C-O 3.56Å; I357-T372 WeakPolarHBondContact CA-O 3.29Å; I357-I373 HydrophobicContact CG2-CG1 4.22Å
358R95.4Very high93.3Very high116 Ų11661 Ų6144%0.43831%0.313SS..EExtended strand (participates in β ladder)trans-115.3132.6168.7-170.9176.7-168.8130.18.6109.8T372 L374R358-T372 PolarHBondContact N-O 3.34Å; R358-T372 PolarHBondContact O-N 2.74Å; R358-L374 HydrophobicContact CB-CD1 4.12Å; R358-L374 HydrophobicContact CB-CD2 4.05Å; R358-L374 HydrophobicContact CB-CG 4.09Å
359L96.2Very high93.1Very high25 Ų2561.7 Ų61.713%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-89.4116.4169.1-52.1-176.3000108.9L283 L291 M293 L328 G343 V345 I357 Y370 I371L283-L359 HydrophobicContact CD1-CD1 4.41Å; L283-L359 HydrophobicContact CD2-CD1 4.04Å; L291-L359 HydrophobicContact CD2-CD2 3.97Å; M293-L359 HydrophobicContact CE-CD1 4.06Å; L328-L359 HydrophobicContact CD1-CD1 4Å; L328-L359 HydrophobicContact CD1-CD2 3.96Å; G343-L359 PolarHBondContact O-N 2.8Å; V345-L359 HydrophobicContact CG2-CD1 3.91Å; V345-L359 HydrophobicContact CG2-CG 4.02Å; I357-L359 HydrophobicContact CD1-CD2 4.06Å; L359-Y370 WeakPolarHBondContact CA-O 3.44Å; L359-I371 HydrophobicContact CD2-CG1 4.2Å
360N95.1Very high93Very high45 Ų4564 Ų6424%0.24133%0.327CS..EExtended strand (participates in β ladder)trans-82.9152.2175.6-62.1-36000110.4D362 Y370 T372N360-D362 WeakPolarHBondContact CB-O 3.47Å; N360-Y370 PolarHBondContact N-O 3.17Å; N360-Y370 WeakPolarHBondContact O-CD1 3.22Å; N360-T372 PolarHBondContact ND2-OG1 2.85Å
361P92Very high93Very high115 Ų11563.5 Ų63.575%0.74732%0.323SS*.EExtended strand (participates in β ladder)trans-71-32.8176.628.8-34.5000112.6
362D92Very high92.9Very high122 Ų12264.7 Ų64.765%0.65233%0.332SS*.EExtended strand (participates in β ladder)trans-115.2147.2177.9-61.9-71.7000109.3N360N360-D362 WeakPolarHBondContact CB-O 3.47Å
363P91.4Very high92.9Very high49 Ų4968.4 Ų68.432%0.31835%0.351SS..EExtended strand (participates in β ladder)trans-74.8143.9178.731.5-32.8000110.8Y370P363-Y370 HydrophobicContact CB-CD1 4.12Å; P363-Y370 HydrophobicContact CB-CD2 4.2Å; P363-Y370 HydrophobicContact CB-CE1 4.04Å; P363-Y370 HydrophobicContact CB-CE2 4.15Å; P363-Y370 HydrophobicContact CB-CG 4.23Å; P363-Y370 VanDerWaalsContact CD-CE1 3.47Å; P363-Y370 HydrophobicContact CG-CE1 4.13Å
364D89Confident92.6Very high56 Ų5671.3 Ų71.330%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-56.8127.1168.8179.6-72.2000109.9E366 R367 N368 S369D364-E366 VanDerWaalsContact C-N 3.32Å; D364-E366 PolarHBondContact O-N 3.16Å; D364-E366 WeakPolarHBondContact OD1-CA 3.42Å; D364-E366 WeakPolarHBondContact OD1-CB 3.47Å; D364-E366 PolarHBondContact OD1-N 2.71Å; D364-R367 HydrophobicContact CB-CB 4.31Å; D364-R367 PolarHBondContact OD1-N 2.84Å; D364-N368 WeakPolarHBondContact O-CA 3.49Å; D364-N368 PolarHBondContact O-N 2.92Å; D364-S369 WeakPolarHBondContact CB-O 3.28Å; D364-S369 PolarHBondContact N-O 2.8Å
365P84.7Confident92.2Very high127 Ų12775 Ų7583%0.82538%0.383SS*.THydrogen-bonded Turntrans-74-18.3-172.329.4-35.7000114.2
366E86.5Confident91.9Very high182 Ų18277.1 Ų77.185%0.8540%0.398SS*.THydrogen-bonded Turntrans-88.8-41.5177.2-59.5-169.1164.500111.3D364D364-E366 VanDerWaalsContact C-N 3.32Å; D364-E366 PolarHBondContact O-N 3.16Å; D364-E366 WeakPolarHBondContact OD1-CA 3.42Å; D364-E366 WeakPolarHBondContact OD1-CB 3.47Å; D364-E366 PolarHBondContact OD1-N 2.71Å
367R83Confident91.6Very high191 Ų19179.1 Ų79.172%0.72141%0.405SS*.THydrogen-bonded Turntrans-92.7-16-175.8-60.6-177.9-178.7-171.50.6113.6D364 S369D364-R367 HydrophobicContact CB-CB 4.31Å; D364-R367 PolarHBondContact OD1-N 2.84Å; R367-S369 PolarHBondContact O-N 3.39Å
368N87.8Confident91.4Very high137 Ų13782.1 Ų82.173%0.73342%0.423SS*.THydrogen-bonded Turntrans48.748.7-169.2-170.383.4000111.3D364D364-N368 WeakPolarHBondContact O-CA 3.49Å; D364-N368 PolarHBondContact O-N 2.92Å
369S92.7Very high91.4Very high15 Ų1576.6 Ų76.611%0.10540%0.403CS..EExtended strand (participates in β ladder)trans-135.1134.6-174.4176.90000110D364 R367 I371D364-S369 WeakPolarHBondContact CB-O 3.28Å; D364-S369 PolarHBondContact N-O 2.8Å; R367-S369 PolarHBondContact O-N 3.39Å; S369-I371 PolarHBondContact O-N 3.12Å; S369-I371 PolarHBondContact OG-N 3.02Å; S369-I371 VanDerWaalsContact OG-N 3.11Å
370Y96Very high91.4Very high50 Ų5075.5 Ų75.520%0.19640%0.397CS..EExtended strand (participates in β ladder)trans-80.7-0.2172-64.3-90.6000112.5E326 L328 L359 N360 P363E326-Y370 PolarHBondContact OE1-OH 2.87Å; L328-Y370 HydrophobicContact CD2-CD2 4.16Å; L328-Y370 HydrophobicContact CD2-CG 4.35Å; L328-Y370 PolarHBondContact O-N 3.3Å; L359-Y370 WeakPolarHBondContact CA-O 3.44Å; N360-Y370 PolarHBondContact N-O 3.17Å; N360-Y370 WeakPolarHBondContact O-CD1 3.22Å; P363-Y370 HydrophobicContact CB-CD1 4.12Å; P363-Y370 HydrophobicContact CB-CD2 4.2Å; P363-Y370 HydrophobicContact CB-CE1 4.04Å; P363-Y370 HydrophobicContact CB-CE2 4.15Å; P363-Y370 HydrophobicContact CB-CG 4.23Å; P363-Y370 VanDerWaalsContact CD-CE1 3.47Å; P363-Y370 HydrophobicContact CG-CE1 4.13Å
371I96.1Very high91.4Very high12 Ų1273.4 Ų73.46%0.06239%0.386CS..EExtended strand (participates in β ladder)trans-104.9122.1-169.9-53.6-177.6000111.2L291 L328 T331 I357 L359 S369L291-I371 HydrophobicContact CB-CD1 3.96Å; L291-I371 HydrophobicContact CD2-CD1 3.95Å; L328-I371 HydrophobicContact CB-CD1 4.17Å; L328-I371 HydrophobicContact CB-CG1 4.16Å; T331-I371 HydrophobicContact CG2-CD1 3.64Å; T331-I371 HydrophobicContact CG2-CG2 4.35Å; I357-I371 HydrophobicContact CB-CG2 3.91Å; I357-I371 HydrophobicContact CD1-CG2 3.92Å; I357-I371 HydrophobicContact CG1-CG2 4.46Å; I357-I371 HydrophobicContact CG2-CG2 4.04Å; L359-I371 HydrophobicContact CD2-CG1 4.2Å; S369-I371 PolarHBondContact O-N 3.12Å; S369-I371 PolarHBondContact OG-N 3.02Å; S369-I371 VanDerWaalsContact OG-N 3.11Å
372T94.4Very high91.6Very high57 Ų5768.9 Ų68.935%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-107.5124.9164-60.70000109I357 R358 N360 L374I357-T372 CarbonylContact C-O 3.56Å; I357-T372 WeakPolarHBondContact CA-O 3.29Å; R358-T372 PolarHBondContact N-O 3.34Å; R358-T372 PolarHBondContact O-N 2.74Å; N360-T372 PolarHBondContact ND2-OG1 2.85Å; T372-L374 HydrophobicContact CG2-CD2 4.46Å
373I93.2Very high92Very high78 Ų7863.1 Ų63.140%0.433%0.325SS..EExtended strand (participates in β ladder)trans-76.8125.8171.2-59.3168.4000107.7I357I357-I373 HydrophobicContact CG2-CG1 4.22Å
374L90.3Very high92.2Very high88 Ų8863.2 Ų63.246%0.46133%0.325SS..EExtended strand (participates in β ladder)trans-92.3-45176-59.4-178.8000111V344 L356 R358 T372V344-L374 HydrophobicContact CG1-CD1 4.24Å; V344-L374 HydrophobicContact CG2-CD1 4.41Å; L356-L374 HydrophobicContact CD2-CB 4.47Å; L356-L374 HydrophobicContact CD2-CD1 4.37Å; L356-L374 HydrophobicContact CG-CB 4.44Å; L356-L374 HydrophobicContact CG-CD1 4.35Å; L356-L374 WeakPolarHBondContact O-CB 3.46Å; L356-L374 PolarHBondContact O-N 2.84Å; R358-L374 HydrophobicContact CB-CD1 4.12Å; R358-L374 HydrophobicContact CB-CD2 4.05Å; R358-L374 HydrophobicContact CB-CG 4.09Å; T372-L374 HydrophobicContact CG2-CD2 4.46Å
375E89.8Confident92.7Very high82 Ų8261 Ų6138%0.38331%0.313SS..EExtended strand (participates in β ladder)trans-149.1151.2-176-158.1178.7169.500110.3Q355 L356 Y377Q355-E375 WeakPolarHBondContact CA-O 3.2Å; L356-E375 HydrophobicContact CB-CB 4Å; L356-E375 PolarHBondContact N-O 2.94Å; L356-E375 PolarHBondContact O-N 3.32Å; E375-Y377 HydrophobicContact CB-CE2 4.47Å; E375-Y377 VanDerWaalsContact CD-CE1 3.44Å; E375-Y377 VanDerWaalsContact CD-CZ 3.46Å; E375-Y377 HydrophobicContact CG-CE1 4.07Å; E375-Y377 VanDerWaalsContact OE1-CE1 3.22Å; E375-Y377 WeakPolarHBondContact OE1-CE1 3.37Å; E375-Y377 PolarHBondContact OE2-OH 3.13Å
376T90.2Very high93.3Very high67 Ų6755.1 Ų55.141%0.41128%0.275SS..EExtended strand (participates in β ladder)trans-130.7124.2179.2-60.20000109.4D353 S354D353-T376 HydrophobicContact CB-CG2 3.54Å; S354-T376 CarbonylContact O-C 3.59Å; S354-T376 WeakPolarHBondContact O-CA 3.43Å
377Y92Very high93.7Very high48 Ų4847.7 Ų47.719%0.18824%0.242CC..EExtended strand (participates in β ladder)trans-103119-179.9-51.4-79.6000110.1F346 D353 S354 L356 E375 N379F346-Y377 HydrophobicContact CD2-CE2 4.08Å; F346-Y377 AromaticContact CE2-CD2 3.66Å; F346-Y377 HydrophobicContact CE2-CD2 3.66Å; F346-Y377 AromaticContact CE2-CE2 3.49Å; F346-Y377 HydrophobicContact CE2-CE2 3.49Å; F346-Y377 VanDerWaalsContact CE2-CE2 3.49Å; F346-Y377 HydrophobicContact CZ-CD2 4.3Å; D353-Y377 CarbonylContact C-O 3.25Å; D353-Y377 WeakPolarHBondContact CA-O 3.41Å; D353-Y377 WeakPolarHBondContact CB-O 3.5Å; S354-Y377 PolarHBondContact N-O 2.85Å; S354-Y377 PolarHBondContact O-N 2.8Å; L356-Y377 HydrophobicContact CB-CE2 4.15Å; E375-Y377 HydrophobicContact CB-CE2 4.47Å; E375-Y377 VanDerWaalsContact CD-CE1 3.44Å; E375-Y377 VanDerWaalsContact CD-CZ 3.46Å; E375-Y377 HydrophobicContact CG-CE1 4.07Å; E375-Y377 VanDerWaalsContact OE1-CE1 3.22Å; E375-Y377 WeakPolarHBondContact OE1-CE1 3.37Å; E375-Y377 PolarHBondContact OE2-OH 3.13Å; Y377-N379 PolarHBondContact O-N 2.83Å
378T92.3Very high94.1Very high62 Ų6239.6 Ų39.638%0.3821%0.213SC..  trans-60.7130.8-174.8-53.70000112.9D353 I380 V793D353-T378 WeakPolarHBondContact OD1-CA 3.28Å; T378-I380 HydrophobicContact CG2-CG2 4.19Å; T378-V793 HydrophobicContact CG2-CB 4.12Å; T378-V793 HydrophobicContact CG2-CG1 3.9Å
379N95.4Very high94.2Very high0 Ų033.7 Ų33.70%018%0.181CC..  trans-123.1116.5169.9-179.419000110.1T13 A14 S349 T350 G352 D353 Y377 G381 R410T13-N379 WeakPolarHBondContact OG1-CA 3.35Å; T13-N379 PolarHBondContact OG1-OD1 3.06Å; A14-N379 PolarHBondContact N-OD1 2.83Å; S349-N379 PolarHBondContact O-ND2 2.84Å; T350-N379 PolarHBondContact O-ND2 2.8Å; G352-N379 WeakPolarHBondContact O-CB 3.36Å; G352-N379 PolarHBondContact O-ND2 2.96Å; D353-N379 PolarHBondContact OD1-N 2.78Å; Y377-N379 PolarHBondContact O-N 2.83Å; N379-G381 VanDerWaalsContact C-N 3.35Å; N379-G381 PolarHBondContact ND2-O 2.77Å; N379-G381 WeakPolarHBondContact OD1-CA 3.31Å; N379-G381 PolarHBondContact OD1-N 3.37Å; N379-R410 PolarHBondContact O-NH2 2.79Å
380I95.2Very high93.5Very high3 Ų339.3 Ų39.32%0.01521%0.206CC..  trans-89.6-4.9176.165.1174.5000112.6Q10 T13 T378 I383 S401 R410 I412 V793 G1220 L1222Q10-I380 HydrophobicContact CG-CD1 3.86Å; T13-I380 HydrophobicContact CG2-CG1 4.32Å; T13-I380 PolarHBondContact OG1-N 3.5Å; T378-I380 HydrophobicContact CG2-CG2 4.19Å; I380-I383 HydrophobicContact CD1-CD1 4.03Å; I380-I383 HydrophobicContact CG1-CD1 4.18Å; I380-I383 WeakPolarHBondContact O-CG1 3.16Å; I380-S401 VanDerWaalsContact O-CB 3.25Å; I380-S401 WeakPolarHBondContact O-CB 3.24Å; I380-S401 PolarHBondContact O-OG 2.93Å; I380-R410 HydrophobicContact CB-CG 4.44Å; I380-R410 HydrophobicContact CG2-CB 4.34Å; I380-R410 HydrophobicContact CG2-CG 4.12Å; I380-I412 HydrophobicContact CB-CD1 4.45Å; I380-I412 HydrophobicContact CD1-CD1 3.59Å; I380-I412 HydrophobicContact CG2-CD1 4.23Å; I380-V793 HydrophobicContact CG2-CG1 3.69Å; I380-V793 HydrophobicContact CG2-CG2 4.21Å; I380-G1220 VanDerWaalsContact CD1-O 3.26Å; I380-G1220 WeakPolarHBondContact CD1-O 3.35Å; I380-G1220 WeakPolarHBondContact CG1-O 3.35Å; I380-L1222 HydrophobicContact CD1-CD1 4.24Å; I380-L1222 HydrophobicContact CD1-CG 4.13Å
381G94.5Very high92.2Very high0 Ų039.3 Ų39.30%021%0.211CC..  trans-84.3156.4175.600000113.6N379 G1220N379-G381 VanDerWaalsContact C-N 3.35Å; N379-G381 PolarHBondContact ND2-O 2.77Å; N379-G381 WeakPolarHBondContact OD1-CA 3.31Å; N379-G381 PolarHBondContact OD1-N 3.37Å; G381-G1220 VanDerWaalsContact CA-CA 3.45Å
382P98.2Very high90.4Very high21 Ų2148.5 Ų48.514%0.13625%0.251CS..SBendcis-72.3131.5-14-19.735000111.6L351 V384 S401 G402 V1218L351-P382 HydrophobicContact CD2-CG 4.15Å; P382-V384 PolarHBondContact O-N 2.77Å; P382-S401 WeakPolarHBondContact O-CA 2.83Å; P382-G402 PolarHBondContact O-N 3.1Å; P382-V1218 WeakPolarHBondContact CA-O 3.49Å; P382-V1218 HydrophobicContact CB-CG1 4.33Å
383I98.4Very high88.6Confident0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-81.2108.4173-58.4170.8000107.3I380 M386 T399 N1189 V1190 T1217 L1222I380-I383 HydrophobicContact CD1-CD1 4.03Å; I380-I383 HydrophobicContact CG1-CD1 4.18Å; I380-I383 WeakPolarHBondContact O-CG1 3.16Å; I383-M386 HydrophobicContact CG2-CB 4.49Å; I383-M386 HydrophobicContact CG2-SD 4.21Å; I383-T399 HydrophobicContact CG2-CG2 4.03Å; I383-N1189 VanDerWaalsContact O-CB 3.24Å; I383-N1189 WeakPolarHBondContact O-CB 3.25Å; I383-N1189 PolarHBondContact O-ND2 2.74Å; I383-V1190 HydrophobicContact CG2-CG1 3.98Å; I383-T1217 PolarHBondContact N-O 2.87Å; I383-L1222 HydrophobicContact CD1-CD2 3.57Å; I383-L1222 HydrophobicContact CD1-CG 4.23Å
384V97.6Very high87.5Confident51 Ų5146.3 Ų46.331%0.30925%0.25SC..EExtended strand (participates in β ladder)trans-91.7-37.7-174.9-169.90000111.9P382 C400 K803P382-V384 PolarHBondContact O-N 2.77Å; V384-C400 HydrophobicContact CB-CB 4.42Å; V384-C400 PolarHBondContact N-O 2.93Å; V384-K803 VanDerWaalsContact CG1-O 3.28Å; V384-K803 WeakPolarHBondContact CG1-O 3.4Å
385D97.9Very high87.2Confident9 Ų942.2 Ų42.25%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-155.5159.1177.3-157.36.9000109.2C400 R804 L805D385-C400 HydrophobicContact CB-CB 4.3Å; D385-C400 PolarHBondContact O-N 2.85Å; D385-R804 HydrophobicContact CB-CB 4.47Å; D385-R804 HydrophobicContact CB-CG 4.22Å; D385-R804 VanDerWaalsContact OD2-CA 3.24Å; D385-R804 WeakPolarHBondContact OD2-CA 3.47Å; D385-R804 VanDerWaalsContact OD2-CB 3.22Å; D385-R804 WeakPolarHBondContact OD2-CB 3.5Å; D385-R804 VanDerWaalsContact OD2-CG 3.29Å; D385-R804 WeakPolarHBondContact OD2-CG 3.45Å; D385-L805 PolarHBondContact OD2-N 3.33Å
386M97Very high87.2Confident4 Ų439.6 Ų39.62%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-158.1157179.768-168.8-171.800113.4I383 L397 I398 T399 V1190 V1192 L1214 L1222I383-M386 HydrophobicContact CG2-CB 4.49Å; I383-M386 HydrophobicContact CG2-SD 4.21Å; M386-L397 HydrophobicContact CB-CD1 4.23Å; M386-L397 HydrophobicContact CB-CG 4.44Å; M386-L397 HydrophobicContact CG-CD1 4.08Å; M386-L397 HydrophobicContact SD-CD1 4.03Å; M386-L397 HydrophobicContact SD-CD2 3.86Å; M386-L397 HydrophobicContact SD-CG 4.32Å; M386-I398 CarbonylContact C-O 3.57Å; M386-I398 WeakPolarHBondContact CA-O 3.43Å; M386-I398 WeakPolarHBondContact CB-O 3.41Å; M386-T399 HydrophobicContact CB-CG2 3.92Å; M386-V1190 HydrophobicContact CB-CG1 4.47Å; M386-V1190 HydrophobicContact CE-CG1 4.09Å; M386-V1190 HydrophobicContact CG-CB 4.5Å; M386-V1190 HydrophobicContact CG-CG1 3.73Å; M386-V1190 HydrophobicContact CG-CG2 3.92Å; M386-V1190 HydrophobicContact SD-CG1 3.83Å; M386-V1192 HydrophobicContact CE-CB 3.97Å; M386-V1192 HydrophobicContact CE-CG2 4.01Å; M386-V1192 HydrophobicContact CG-CB 4.44Å; M386-V1192 HydrophobicContact CG-CG2 3.6Å; M386-V1192 WeakPolarHBondContact O-CG2 3.39Å; M386-L1214 HydrophobicContact CE-CB 4.25Å; M386-L1222 HydrophobicContact SD-CD2 4.33Å
387V95.4Very high87.3Confident27 Ų2736.4 Ų36.416%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-133.1144.5171.3-79.30000111.1I398 L805 L814V387-I398 HydrophobicContact CG2-CB 4.11Å; V387-I398 PolarHBondContact N-O 3.37Å; V387-I398 PolarHBondContact O-N 3.49Å; V387-L805 HydrophobicContact CB-CD1 3.94Å; V387-L805 HydrophobicContact CG1-CD1 3.39Å; V387-L805 HydrophobicContact CG2-CD1 3.62Å; V387-L805 HydrophobicContact CG2-CD2 4.22Å; V387-L814 HydrophobicContact CG2-CD1 4.09Å
388L92.9Very high87.5Confident21 Ų2134.2 Ų34.211%0.1119%0.188CC..EExtended strand (participates in β ladder)trans-90.5130.4168.9-168.471.2000109.6E390 N395 L397 V1192 L1196 L1214L388-E390 HydrophobicContact CD2-CG 4.47Å; L388-N395 HydrophobicContact CD1-CB 4.06Å; L388-N395 HydrophobicContact CG-CB 4.43Å; L388-L397 HydrophobicContact CD1-CB 4.44Å; L388-L397 HydrophobicContact CD1-CD1 4.28Å; L388-V1192 HydrophobicContact CB-CG1 3.61Å; L388-L1196 HydrophobicContact CD1-CD2 4.47Å; L388-L1214 HydrophobicContact CD1-CD1 4.49Å
389L88Confident87.7Confident12 Ų1231.2 Ų31.26%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-104.8101.7175.5-164.587000108.5T391 N395 Q396 L807 Q878L389-T391 HydrophobicContact CD2-CG2 3.68Å; L389-T391 HydrophobicContact CG-CG2 4.06Å; L389-T391 PolarHBondContact O-N 3.19Å; L389-N395 WeakPolarHBondContact O-CA 3.38Å; L389-Q396 HydrophobicContact CB-CB 4.26Å; L389-Q396 WeakPolarHBondContact CB-O 3.46Å; L389-Q396 PolarHBondContact N-O 3.45Å; L389-Q396 PolarHBondContact O-N 2.91Å; L389-L807 HydrophobicContact CD1-CD1 4.02Å; L389-L807 HydrophobicContact CD1-CD2 4.02Å; L389-Q878 HydrophobicContact CD1-CG 3.58Å
390E79.6Confident87.8Confident134 Ų13431.2 Ų31.263%0.62617%0.17SC*.  trans-75.9117173.8-63.1-170.7156.100109.6L388 N395L388-E390 HydrophobicContact CD2-CG 4.47Å; E390-N395 WeakPolarHBondContact CA-OD1 3.46Å
391T67.8Low88Confident49 Ų4931.1 Ų31.130%0.30117%0.169SC..  trans-120.9159.3176.388.50000111.3L389 G393 Q394 Q396L389-T391 HydrophobicContact CD2-CG2 3.68Å; L389-T391 HydrophobicContact CG-CG2 4.06Å; L389-T391 PolarHBondContact O-N 3.19Å; T391-G393 VanDerWaalsContact C-N 3.28Å; T391-G393 PolarHBondContact O-N 3.25Å; T391-Q394 WeakPolarHBondContact CB-O 3.28Å; T391-Q394 PolarHBondContact OG1-O 2.81Å; T391-Q396 HydrophobicContact CG2-CG 4.41Å
392K58.6Low88.1Confident206 Ų20631.1 Ų31.190%0.89617%0.17SC*.SBendtrans-71.282.9176-65.1-175.2-179.2-178.50110.6
393G57.1Low88Confident57 Ų5730.8 Ų30.859%0.58817%0.168SC*.SBendtrans139.9-36.3173.700000113.6T391T391-G393 VanDerWaalsContact C-N 3.28Å; T391-G393 PolarHBondContact O-N 3.25Å
394Q70.4Confident87.8Confident31 Ų3134.2 Ų34.215%0.14518%0.182CC..  trans-152135.3-178.8-159.9-177.532.300111.8T391 N414 N753 L1198T391-Q394 WeakPolarHBondContact CB-O 3.28Å; T391-Q394 PolarHBondContact OG1-O 2.81Å; Q394-N414 PolarHBondContact NE2-O 2.91Å; Q394-N753 PolarHBondContact NE2-OD1 2.99Å; Q394-L1198 VanDerWaalsContact C-CD1 3.49Å; Q394-L1198 VanDerWaalsContact N-CD1 3.35Å
395N84Confident87.7Confident2 Ų233 Ų331%0.01117%0.173CC..  trans-82.4141.5170-69.4-11.9000109.3L388 L389 E390 N1195 L1198L388-N395 HydrophobicContact CD1-CB 4.06Å; L388-N395 HydrophobicContact CG-CB 4.43Å; L389-N395 WeakPolarHBondContact O-CA 3.38Å; E390-N395 WeakPolarHBondContact CA-OD1 3.46Å; N395-N1195 WeakPolarHBondContact CB-O 3.34Å; N395-N1195 PolarHBondContact ND2-O 2.98Å; N395-L1198 WeakPolarHBondContact OD1-CD1 3.35Å
396Q87.9Confident87.6Confident27 Ų2734.1 Ų34.113%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-125.9131-178.3-42-173.311.200109L389 T391 V411 I412 R413L389-Q396 HydrophobicContact CB-CB 4.26Å; L389-Q396 WeakPolarHBondContact CB-O 3.46Å; L389-Q396 PolarHBondContact N-O 3.45Å; L389-Q396 PolarHBondContact O-N 2.91Å; T391-Q396 HydrophobicContact CG2-CG 4.41Å; Q396-V411 HydrophobicContact CB-CG1 4.22Å; Q396-I412 WeakPolarHBondContact CA-O 3.22Å; Q396-R413 HydrophobicContact CB-CG 4.25Å; Q396-R413 HydrophobicContact CG-CG 4.04Å; Q396-R413 VanDerWaalsContact OE1-CZ 3.27Å
397L93.4Very high87.6Confident0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-96.5125.6174.7-172.475.7000108.5M386 L388 T399 V411 I412 L1196 L1222M386-L397 HydrophobicContact CB-CD1 4.23Å; M386-L397 HydrophobicContact CB-CG 4.44Å; M386-L397 HydrophobicContact CG-CD1 4.08Å; M386-L397 HydrophobicContact SD-CD1 4.03Å; M386-L397 HydrophobicContact SD-CD2 3.86Å; M386-L397 HydrophobicContact SD-CG 4.32Å; L388-L397 HydrophobicContact CD1-CB 4.44Å; L388-L397 HydrophobicContact CD1-CD1 4.28Å; L397-T399 HydrophobicContact CD2-CG2 4.09Å; L397-T399 HydrophobicContact CG-CG2 4.21Å; L397-V411 WeakPolarHBondContact O-CA 3.3Å; L397-I412 HydrophobicContact CB-CB 4.31Å; L397-I412 HydrophobicContact CD2-CD1 4.49Å; L397-I412 PolarHBondContact N-O 2.91Å; L397-I412 PolarHBondContact O-N 2.72Å; L397-L1196 HydrophobicContact CB-CD2 3.88Å; L397-L1222 HydrophobicContact CD2-CD1 3.92Å; L397-L1222 HydrophobicContact CD2-CD2 3.74Å
398I95.3Very high87.7Confident2 Ų232.9 Ų32.91%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-105.3119.6174.2-55.8172.3000107.6M386 V387 R410 L805 L814 L881M386-I398 CarbonylContact C-O 3.57Å; M386-I398 WeakPolarHBondContact CA-O 3.43Å; M386-I398 WeakPolarHBondContact CB-O 3.41Å; V387-I398 HydrophobicContact CG2-CB 4.11Å; V387-I398 PolarHBondContact N-O 3.37Å; V387-I398 PolarHBondContact O-N 3.49Å; I398-R410 WeakPolarHBondContact CA-O 3.5Å; I398-L805 HydrophobicContact CG2-CD2 4.16Å; I398-L814 HydrophobicContact CD1-CD2 4.44Å; I398-L814 HydrophobicContact CG2-CD2 4.09Å; I398-L881 HydrophobicContact CD1-CD1 4.21Å; I398-L881 HydrophobicContact CD1-CD2 4.15Å
399T97.6Very high87.9Confident0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-109144.2-179.763.60000111.6I383 M386 L397 S401 L409 R410 I412I383-T399 HydrophobicContact CG2-CG2 4.03Å; M386-T399 HydrophobicContact CB-CG2 3.92Å; L397-T399 HydrophobicContact CD2-CG2 4.09Å; L397-T399 HydrophobicContact CG-CG2 4.21Å; T399-S401 PolarHBondContact OG1-OG 2.77Å; T399-L409 VanDerWaalsContact O-CA 3.3Å; T399-L409 WeakPolarHBondContact O-CA 3.37Å; T399-R410 PolarHBondContact N-O 2.95Å; T399-R410 PolarHBondContact O-N 2.97Å; T399-R410 WeakPolarHBondContact OG1-CB 3.48Å; T399-I412 HydrophobicContact CG2-CD1 3.99Å
400C98.2Very high88.2Confident0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-80.5111.1155.2-69.70000107.3V384 D385 P802V384-C400 HydrophobicContact CB-CB 4.42Å; V384-C400 PolarHBondContact N-O 2.93Å; D385-C400 HydrophobicContact CB-CB 4.3Å; D385-C400 PolarHBondContact O-N 2.85Å; C400-P802 HydrophobicContact CB-CB 3.75Å; C400-P802 HydrophobicContact CB-CG 3.93Å
401S98.2Very high88.8Confident0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-126.6151.5-172.8-72.50000112.4I380 P382 T399 S408I380-S401 VanDerWaalsContact O-CB 3.25Å; I380-S401 WeakPolarHBondContact O-CB 3.24Å; I380-S401 PolarHBondContact O-OG 2.93Å; P382-S401 WeakPolarHBondContact O-CA 2.83Å; T399-S401 PolarHBondContact OG1-OG 2.77Å; S401-S408 PolarHBondContact N-O 2.84Å; S401-S408 PolarHBondContact O-N 3.03Å; S401-S408 PolarHBondContact O-OG 2.89Å
402G97.4Very high89.9Confident1 Ų122.9 Ų22.91%0.0112%0.119CC..  trans71.3177.8175.500000114.3L351 P382L351-G402 WeakPolarHBondContact O-CA 3.38Å; P382-G402 PolarHBondContact O-N 3.1Å
403A96Very high91.2Very high13 Ų1315.6 Ų15.611%0.1079%0.086CC..  trans-143.1158.4-178.900000112.8L351 K405 E406 G407 T801L351-A403 HydrophobicContact CD1-CB 4.46Å; L351-A403 HydrophobicContact CD2-CB 4.18Å; L351-A403 PolarHBondContact O-N 3.28Å; A403-K405 PolarHBondContact O-N 2.96Å; A403-E406 WeakPolarHBondContact O-CB 3.32Å; A403-E406 PolarHBondContact O-N 2.93Å; A403-G407 PolarHBondContact O-N 2.87Å; A403-T801 HydrophobicContact CB-CG2 4.26Å
404Y94.2Very high92.2Very high73 Ų7314.5 Ų14.529%0.2867%0.067SC..G310 helixtrans52-122.6-178.5-50.9-76.9000110.7M287 L351 E406 G407 E799 E800 T801M287-Y404 HydrophobicContact CE-CD2 3.64Å; M287-Y404 HydrophobicContact CE-CE2 3.4Å; M287-Y404 VanDerWaalsContact CE-CE2 3.4Å; M287-Y404 HydrophobicContact CE-CG 4.47Å; L351-Y404 HydrophobicContact CD1-CD2 4.1Å; L351-Y404 HydrophobicContact CD1-CE2 4.34Å; Y404-E406 PolarHBondContact O-N 3.23Å; Y404-G407 PolarHBondContact O-N 2.83Å; Y404-E799 CarbonylContact O-C 3.59Å; Y404-E800 CarbonylContact O-C 3.33Å; Y404-E800 VanDerWaalsContact O-CA 3.3Å; Y404-E800 WeakPolarHBondContact O-CA 3.44Å; Y404-E800 PolarHBondContact O-N 3.03Å; Y404-T801 WeakPolarHBondContact CA-OG1 3.29Å; Y404-T801 PolarHBondContact N-OG1 2.85Å
405K94.5Very high92.5Very high26 Ų2613.1 Ų13.111%0.1136%0.061CC..G310 helixtrans-67.9-22.917975.5-174.6-160.664.60114.2A288 E330 T331 T333 A403 G407A288-K405 VanDerWaalsContact O-CD 3.3Å; A288-K405 WeakPolarHBondContact O-CD 3.29Å; A288-K405 WeakPolarHBondContact O-CE 3.41Å; E330-K405 WeakPolarHBondContact OE1-CD 3.36Å; E330-K405 WeakPolarHBondContact OE1-CE 3.31Å; E330-K405 IonicContact OE1-NZ 2.7Å; E330-K405 PolarHBondContact OE1-NZ 3.47Å; T331-K405 WeakPolarHBondContact O-CE 3.48Å; T331-K405 PolarHBondContact O-NZ 3.26Å; T333-K405 WeakPolarHBondContact OG1-CE 3.36Å; A403-K405 PolarHBondContact O-N 2.96Å; K405-G407 VanDerWaalsContact C-N 3.29Å
406E96.7Very high92.3Very high32 Ų3213.1 Ų13.115%0.156%0.061CC..G310 helixtrans-86.3-2.9179-47-57.2161.700112.6A332 T333 L351 A403 Y404 S408A332-E406 WeakPolarHBondContact CA-OE1 3.31Å; T333-E406 PolarHBondContact N-OE1 2.73Å; T333-E406 PolarHBondContact OG1-OE1 2.69Å; L351-E406 HydrophobicContact CB-CG 4.39Å; L351-E406 WeakPolarHBondContact O-CB 3.43Å; A403-E406 WeakPolarHBondContact O-CB 3.32Å; A403-E406 PolarHBondContact O-N 2.93Å; Y404-E406 PolarHBondContact O-N 3.23Å; E406-S408 PolarHBondContact O-N 3.03Å; E406-S408 PolarHBondContact O-OG 2.75Å
407G97.4Very high91.8Very high1 Ų111.9 Ų11.91%0.016%0.056CC..  trans-55.7124.6178.300000111.6A403 Y404 K405 L798 E799 E800A403-G407 PolarHBondContact O-N 2.87Å; Y404-G407 PolarHBondContact O-N 2.83Å; K405-G407 VanDerWaalsContact C-N 3.29Å; G407-L798 WeakPolarHBondContact O-CA 3.37Å; G407-L798 WeakPolarHBondContact O-CB 3.18Å; G407-L798 PolarHBondContact O-N 2.86Å; G407-E799 PolarHBondContact O-N 3.23Å; G407-E800 WeakPolarHBondContact CA-O 3.33Å
408S97.5Very high91.3Very high3 Ų313 Ų132%0.0216%0.061CC..EExtended strand (participates in β ladder)trans-149.5155.4-170.748.80000111.7S401 E406 R410 L796S401-S408 PolarHBondContact N-O 2.84Å; S401-S408 PolarHBondContact O-N 3.03Å; S401-S408 PolarHBondContact O-OG 2.89Å; E406-S408 PolarHBondContact O-N 3.03Å; E406-S408 PolarHBondContact O-OG 2.75Å; S408-R410 PolarHBondContact OG-NE 3.32Å; S408-L796 CarbonylContact C-O 3.2Å; S408-L796 VanDerWaalsContact CA-O 3.27Å; S408-L796 WeakPolarHBondContact CA-O 3.28Å; S408-L796 WeakPolarHBondContact CB-O 3.33Å
409L96.7Very high90.7Very high0 Ų017.9 Ų17.90%08%0.084CC..EExtended strand (participates in β ladder)trans-94134.4157.2-57.4176.4000108.4T399 L796 L798 L814 V816 F876T399-L409 VanDerWaalsContact O-CA 3.3Å; T399-L409 WeakPolarHBondContact O-CA 3.37Å; L409-L796 HydrophobicContact CB-CB 4.19Å; L409-L796 HydrophobicContact CB-CD1 4.33Å; L409-L796 PolarHBondContact N-O 3.2Å; L409-L796 PolarHBondContact O-N 2.97Å; L409-L798 HydrophobicContact CD1-CD2 4.48Å; L409-L798 HydrophobicContact CD2-CD1 4.3Å; L409-L798 HydrophobicContact CG-CD1 4.14Å; L409-L798 HydrophobicContact CG-CD2 4.2Å; L409-L798 HydrophobicContact CG-CG 4.47Å; L409-L814 HydrophobicContact CD1-CD2 4.37Å; L409-V816 HydrophobicContact CD1-CG2 4.2Å; L409-V816 HydrophobicContact CD2-CG1 4.29Å; L409-V816 HydrophobicContact CD2-CG2 4.43Å; L409-F876 HydrophobicContact CD1-CD2 4.43Å; L409-F876 HydrophobicContact CD1-CE1 4.38Å; L409-F876 HydrophobicContact CD1-CE2 4.1Å; L409-F876 HydrophobicContact CD1-CZ 4.09Å
410R94.6Very high90.1Very high5 Ų522.7 Ų22.72%0.01911%0.106CC..EExtended strand (participates in β ladder)trans-111.8135.7171.3-48.6-70.4179135.814.2109.1D353 N379 I380 I398 T399 S408 I412 V793 R794 T795D353-R410 VanDerWaalsContact CG-NH1 3.32Å; D353-R410 IonicContact OD1-CZ 2.94Å; D353-R410 VanDerWaalsContact OD1-CZ 3.22Å; D353-R410 IonicContact OD1-NH1 3.54Å; D353-R410 PolarHBondContact OD1-NH1 3.02Å; D353-R410 IonicContact OD1-NH2 3.41Å; D353-R410 PolarHBondContact OD1-NH2 3.47Å; D353-R410 IonicContact OD2-CZ 3.26Å; D353-R410 IonicContact OD2-NH1 2.73Å; D353-R410 PolarHBondContact OD2-NH1 2.69Å; D353-R410 IonicContact OD2-NH2 3.84Å; N379-R410 PolarHBondContact O-NH2 2.79Å; I380-R410 HydrophobicContact CB-CG 4.44Å; I380-R410 HydrophobicContact CG2-CB 4.34Å; I380-R410 HydrophobicContact CG2-CG 4.12Å; I398-R410 WeakPolarHBondContact CA-O 3.5Å; T399-R410 PolarHBondContact N-O 2.95Å; T399-R410 PolarHBondContact O-N 2.97Å; T399-R410 WeakPolarHBondContact OG1-CB 3.48Å; S408-R410 PolarHBondContact OG-NE 3.32Å; R410-I412 HydrophobicContact CB-CG1 4.43Å; R410-V793 HydrophobicContact CB-CG1 3.9Å; R410-V793 HydrophobicContact CG-CG1 4.35Å; R410-R794 CarbonylContact C-O 3.6Å; R410-R794 WeakPolarHBondContact CA-O 3Å; R410-T795 WeakPolarHBondContact CD-OG1 3.48Å; R410-T795 PolarHBondContact NH1-OG1 3.45Å
411V91.7Very high89.7Confident1 Ų126.7 Ų26.71%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-108.5111.4173.9-171.30000107.8Q396 L397 R413 V793 R794 L796 L881Q396-V411 HydrophobicContact CB-CG1 4.22Å; L397-V411 WeakPolarHBondContact O-CA 3.3Å; V411-R413 HydrophobicContact CG1-CG 4.46Å; V411-V793 WeakPolarHBondContact O-CA 3.41Å; V411-R794 HydrophobicContact CB-CB 4.27Å; V411-R794 PolarHBondContact N-O 2.92Å; V411-R794 PolarHBondContact O-N 2.88Å; V411-L796 HydrophobicContact CG2-CD1 4.32Å; V411-L881 HydrophobicContact CG2-CD1 3.31Å
412I91.3Very high89.3Confident1 Ų127.7 Ų27.71%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-106.4128.7-172.9-51.9176.4000108.5I380 Q396 L397 T399 R410 L791 H792 V793 L1196 L1222I380-I412 HydrophobicContact CB-CD1 4.45Å; I380-I412 HydrophobicContact CD1-CD1 3.59Å; I380-I412 HydrophobicContact CG2-CD1 4.23Å; Q396-I412 WeakPolarHBondContact CA-O 3.22Å; L397-I412 HydrophobicContact CB-CB 4.31Å; L397-I412 HydrophobicContact CD2-CD1 4.49Å; L397-I412 PolarHBondContact N-O 2.91Å; L397-I412 PolarHBondContact O-N 2.72Å; T399-I412 HydrophobicContact CG2-CD1 3.99Å; R410-I412 HydrophobicContact CB-CG1 4.43Å; I412-L791 HydrophobicContact CG2-CB 4.32Å; I412-L791 HydrophobicContact CG2-CD1 4.24Å; I412-H792 WeakPolarHBondContact CA-O 3.32Å; I412-V793 HydrophobicContact CG1-CG1 4.35Å; I412-V793 HydrophobicContact CG1-CG2 4.26Å; I412-V793 HydrophobicContact CG2-CG2 4.46Å; I412-L1196 HydrophobicContact CG2-CD1 4.4Å; I412-L1222 HydrophobicContact CD1-CD1 3.93Å; I412-L1222 HydrophobicContact CG2-CD1 4.34Å
413R84.7Confident89Confident52 Ų5230.8 Ų30.820%0.19615%0.152CC..EExtended strand (participates in β ladder)trans-134.1139.9-175.6-61.5-177.6-179.9170.7-4.3109.3Q396 V411 G415 L791 H792Q396-R413 HydrophobicContact CB-CG 4.25Å; Q396-R413 HydrophobicContact CG-CG 4.04Å; Q396-R413 VanDerWaalsContact OE1-CZ 3.27Å; V411-R413 HydrophobicContact CG1-CG 4.46Å; R413-G415 PolarHBondContact O-N 2.91Å; R413-L791 CarbonylContact O-C 3.54Å; R413-L791 WeakPolarHBondContact O-CA 3.29Å; R413-H792 PolarHBondContact N-O 2.87Å; R413-H792 PolarHBondContact O-N 2.95Å
414N79.3Confident88.7Confident34 Ų3432 Ų3218%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-85.7108.1174.9-179-20000110.5Q394 K790 L791 L1196 H1338Q394-N414 PolarHBondContact NE2-O 2.91Å; N414-K790 PolarHBondContact OD1-O 2.98Å; N414-L791 HydrophobicContact CB-CD2 3.81Å; N414-L1196 HydrophobicContact CB-CB 4.16Å; N414-H1338 PolarHBondContact ND2-O 2.69Å; N414-H1338 PolarHBondContact ND2-OXT 3.12Å
415G76.9Confident88.5Confident2 Ų235.4 Ų35.42%0.02118%0.179CC..BIsolated β-bridgetrans138.6159.6-174.400000112.3R413 N751 N753 K790 H792R413-G415 PolarHBondContact O-N 2.91Å; G415-N751 CarbonylContact C-O 3.58Å; G415-N751 WeakPolarHBondContact CA-O 3.35Å; G415-N753 PolarHBondContact O-ND2 3.15Å; G415-N753 VanDerWaalsContact O-ND2 3.09Å; G415-N753 PolarHBondContact O-OD1 2.87Å; G415-K790 PolarHBondContact N-O 2.87Å; G415-H792 WeakPolarHBondContact O-CB 3.24Å; G415-H792 PolarHBondContact O-N 3.35Å
416I79.6Confident88.1Confident2 Ų235.6 Ų35.61%0.0118%0.181CC..BIsolated β-bridgetrans-71.6137.6178.1-55.2159.9000109.4V739 A750 N751 L752 N753 V785 D786 I788I416-V739 HydrophobicContact CD1-CB 3.72Å; I416-V739 HydrophobicContact CD1-CG1 4.27Å; I416-V739 HydrophobicContact CD1-CG2 3.78Å; I416-A750 HydrophobicContact CD1-CB 3.54Å; I416-A750 HydrophobicContact CG1-CB 3.97Å; I416-N751 PolarHBondContact N-O 3.43Å; I416-L752 HydrophobicContact CB-CD2 3.89Å; I416-L752 HydrophobicContact CG2-CD2 4.14Å; I416-N753 VanDerWaalsContact O-CG 3.3Å; I416-N753 PolarHBondContact O-N 2.99Å; I416-N753 PolarHBondContact O-ND2 2.73Å; I416-V785 HydrophobicContact CG2-CG1 3.56Å; I416-D786 HydrophobicContact CG2-CB 4.27Å; I416-I788 HydrophobicContact CD1-CB 4.48Å; I416-I788 HydrophobicContact CD1-CG1 4.34Å; I416-I788 HydrophobicContact CD1-CG2 3.81Å; I416-I788 HydrophobicContact CG1-CG2 4.27Å
417G77Confident87.6Confident2 Ų238.6 Ų38.62%0.02120%0.198CC..  trans-81.6154.8172.400000113.2D786G417-D786 WeakPolarHBondContact CA-OD2 3.15Å; G417-D786 PolarHBondContact O-N 2.84Å
418I81.5Confident87.1Confident22 Ų2244.1 Ų44.111%0.11323%0.226CC..EExtended strand (participates in β ladder)trans-111.3126.4164-63.6-61.1000106.2E420 L752 L754 I772 L774 V785I418-E420 HydrophobicContact CG2-CG 4.27Å; I418-E420 PolarHBondContact O-N 3.21Å; I418-L752 HydrophobicContact CD1-CD2 3.85Å; I418-L752 HydrophobicContact CG1-CD2 4.17Å; I418-L754 HydrophobicContact CG1-CD1 3.92Å; I418-L754 HydrophobicContact CG1-CG 4.41Å; I418-I772 HydrophobicContact CD1-CD1 4.08Å; I418-L774 HydrophobicContact CD1-CD1 4.16Å; I418-L774 HydrophobicContact CG1-CD1 4.06Å; I418-L774 HydrophobicContact CG2-CD1 4.02Å; I418-V785 HydrophobicContact CD1-CB 4.3Å; I418-V785 HydrophobicContact CD1-CG1 4.36Å; I418-V785 HydrophobicContact CD1-CG2 3.86Å
419H82.8Confident86.8Confident106 Ų10644.3 Ų44.349%0.49123%0.227SC..EExtended strand (participates in β ladder)trans-86.7101.1168.9-168.5-75.4000108.5H421 G783 S784H419-H421 AromaticContact CE1-CE1 3.85Å; H419-H421 AromaticContact CE1-ND1 3.75Å; H419-H421 AromaticContact CG-CE1 3.98Å; H419-H421 AromaticContact ND1-CE1 3.1Å; H419-H421 PolarHBondContact ND1-CE1 3.15Å; H419-H421 AromaticContact ND1-ND1 3.19Å; H419-H421 PolarHBondContact ND1-ND1 3.04Å; H419-H421 VanDerWaalsContact ND1-ND1 3.19Å; H419-H421 AromaticContact ND1-NE2 3.99Å; H419-H421 PolarHBondContact O-N 2.92Å; H419-G783 CarbonylContact O-C 3.59Å; H419-G783 WeakPolarHBondContact O-CA 3.39Å; H419-S784 PolarHBondContact N-O 3.28Å; H419-S784 PolarHBondContact O-N 2.8Å
420E86.7Confident86.5Confident100 Ų10049.7 Ų49.747%0.46725%0.25SS..EExtended strand (participates in β ladder)trans-70.8118.7179.9-56.3-177.4-175.100109.9I418 I781I418-E420 HydrophobicContact CG2-CG 4.27Å; I418-E420 PolarHBondContact O-N 3.21Å; E420-I781 HydrophobicContact CB-CG2 4.18Å; E420-I781 HydrophobicContact CG-CG2 3.81Å
421H88.3Confident86.4Confident85 Ų8549.4 Ų49.439%0.39425%0.249SC..EExtended strand (participates in β ladder)trans-98.4-36.8178.1-61-55.6000111.8H419 Y768 I782 S784H419-H421 AromaticContact CE1-CE1 3.85Å; H419-H421 AromaticContact CE1-ND1 3.75Å; H419-H421 AromaticContact CG-CE1 3.98Å; H419-H421 AromaticContact ND1-CE1 3.1Å; H419-H421 PolarHBondContact ND1-CE1 3.15Å; H419-H421 AromaticContact ND1-ND1 3.19Å; H419-H421 PolarHBondContact ND1-ND1 3.04Å; H419-H421 VanDerWaalsContact ND1-ND1 3.19Å; H419-H421 AromaticContact ND1-NE2 3.99Å; H419-H421 PolarHBondContact O-N 2.92Å; H421-Y768 HydrophobicContact CB-CD1 4.24Å; H421-Y768 HydrophobicContact CB-CE1 3.97Å; H421-I782 PolarHBondContact N-O 3.36Å; H421-S784 PolarHBondContact NE2-N 2.67Å; H421-S784 PolarHBondContact NE2-OG 3.08Å
422A89.8Confident86.6Confident21 Ų2149.4 Ų49.417%0.17425%0.249CC..EExtended strand (participates in β ladder)trans-149.6149.9174.700000111.3I464 Y768 I782A422-I464 HydrophobicContact CB-CD1 4.4Å; A422-Y768 HydrophobicContact CB-CE1 4.43Å; A422-I782 HydrophobicContact CB-CB 4.34Å; A422-I782 PolarHBondContact N-O 2.7Å; A422-I782 VanDerWaalsContact N-O 3.12Å; A422-I782 PolarHBondContact O-N 3.08Å
423T91.2Very high86.8Confident66 Ų6649.8 Ų49.841%0.40525%0.25SS..EExtended strand (participates in β ladder)trans-136.8131.9178.5-64.20000110A779 I781T423-A779 HydrophobicContact CG2-CB 3.86Å; T423-I781 HydrophobicContact CG2-CG1 4.12Å
424I91Very high87.3Confident39 Ų3947.7 Ų47.720%0.224%0.244CC..EExtended strand (participates in β ladder)trans-116.2109.9177.4-48.6-177.7000108.2Q426 L457 I464 A779 L780I424-Q426 PolarHBondContact O-N 3.23Å; I424-Q426 VanDerWaalsContact O-N 3.09Å; I424-L457 HydrophobicContact CD1-CD1 3.77Å; I424-I464 HydrophobicContact CD1-CD1 3.88Å; I424-I464 HydrophobicContact CD1-CG2 3.95Å; I424-I464 HydrophobicContact CG1-CD1 4.34Å; I424-A779 CarbonylContact O-C 3.57Å; I424-A779 VanDerWaalsContact O-CA 3.23Å; I424-A779 WeakPolarHBondContact O-CA 3.49Å; I424-A779 WeakPolarHBondContact O-CB 3.29Å; I424-L780 HydrophobicContact CB-CB 4.38Å; I424-L780 HydrophobicContact CD1-CD2 4.29Å; I424-L780 PolarHBondContact N-O 3.42Å; I424-L780 PolarHBondContact O-N 2.76Å
425D89.3Confident87.9Confident143 Ų14346.8 Ų46.877%0.76524%0.238SC*.EExtended strand (participates in β ladder)trans-70.5101.5178.5-66.4-37.9000110.5
426Q86.1Confident88.5Confident31 Ų3147.9 Ų47.915%0.14525%0.245CC..  trans-153.8110.4-175.4-176.6169.318.500110.9I424 I429 M450 T778I424-Q426 PolarHBondContact O-N 3.23Å; I424-Q426 VanDerWaalsContact O-N 3.09Å; Q426-I429 HydrophobicContact CB-CD1 4.08Å; Q426-I429 HydrophobicContact CG-CD1 4.08Å; Q426-I429 HydrophobicContact CG-CG1 4.09Å; Q426-I429 WeakPolarHBondContact O-CD1 3.34Å; Q426-M450 HydrophobicContact CG-CE 3.89Å; Q426-M450 PolarHBondContact NE2-SD 2.92Å; Q426-T778 CarbonylContact C-O 3.47Å; Q426-T778 PolarHBondContact N-O 2.88Å; Q426-T778 CarbonylContact O-C 3.6Å
427D86Confident89Confident95 Ų9547.9 Ų47.951%0.50825%0.245SC..THydrogen-bonded Turntrans-74165-179.8-63.6-26.1000113.2I429 M450 T778D427-I429 PolarHBondContact O-N 3.49Å; D427-I429 VanDerWaalsContact O-N 3.12Å; D427-M450 WeakPolarHBondContact O-CE 3.4Å; D427-T778 WeakPolarHBondContact OD1-CA 3.43Å
428L86.3Confident89.5Confident117 Ų11753.5 Ų53.561%0.61327%0.271SS*.THydrogen-bonded Turntrans62.216.9166.9-58.1174.4000116.3
429I92.2Very high89.6Confident7 Ų754 Ų544%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-59.8139.2169.6-57.1172.9000109.7Q426 D427 V448 S449 V775 L780Q426-I429 HydrophobicContact CB-CD1 4.08Å; Q426-I429 HydrophobicContact CG-CD1 4.08Å; Q426-I429 HydrophobicContact CG-CG1 4.09Å; Q426-I429 WeakPolarHBondContact O-CD1 3.34Å; D427-I429 PolarHBondContact O-N 3.49Å; D427-I429 VanDerWaalsContact O-N 3.12Å; I429-V448 HydrophobicContact CB-CG1 4.48Å; I429-V448 HydrophobicContact CD1-CG1 3.86Å; I429-V448 HydrophobicContact CG1-CG1 3.84Å; I429-V448 HydrophobicContact CG2-CG1 3.87Å; I429-S449 CarbonylContact C-O 3.56Å; I429-S449 WeakPolarHBondContact CA-O 3.31Å; I429-S449 WeakPolarHBondContact CG2-O 3.41Å; I429-V775 HydrophobicContact CB-CG1 3.59Å; I429-V775 HydrophobicContact CG2-CB 4.32Å; I429-V775 HydrophobicContact CG2-CG1 3.56Å; I429-V775 HydrophobicContact CG2-CG2 3.73Å; I429-L780 HydrophobicContact CD1-CB 3.93Å
430K91.2Very high89.5Confident112 Ų11255.2 Ų55.249%0.48729%0.287SS..EExtended strand (participates in β ladder)trans-116.6-13.8-178.7-64.5-56.6178.7-167.10114.4S449 V451K430-S449 PolarHBondContact N-O 2.87Å; K430-V451 HydrophobicContact CD-CG2 4.3Å; K430-V451 VanDerWaalsContact CE-CG2 3.41Å; K430-V451 HydrophobicContact CG-CG2 3.95Å
431G92.3Very high89.2Confident0 Ų060.2 Ų60.20%030%0.301CS..EExtended strand (participates in β ladder)trans-176.2153.417500000110.4S449G431-S449 PolarHBondContact O-N 3.11Å
432A94.8Very high89.1Confident0 Ų059.9 Ų59.90%030%0.299CS..EExtended strand (participates in β ladder)trans-138.7139.2174.900000109.6I446 V447 F759 T761 V775 L780A432-I446 HydrophobicContact CB-CG2 4.38Å; A432-V447 CarbonylContact C-O 3.58Å; A432-V447 VanDerWaalsContact CA-O 3.26Å; A432-V447 WeakPolarHBondContact CA-O 3.48Å; A432-F759 WeakPolarHBondContact O-CE1 3.1Å; A432-T761 HydrophobicContact CB-CG2 4.47Å; A432-T761 WeakPolarHBondContact O-CB 3.42Å; A432-T761 WeakPolarHBondContact O-CG2 3.41Å; A432-V775 HydrophobicContact CB-CG2 3.74Å; A432-L780 HydrophobicContact CB-CD1 4.07Å
433W95.6Very high89.2Confident9 Ų960.4 Ų60.43%0.03430%0.298CS..EExtended strand (participates in β ladder)trans-139.8135.5178.4-56.2-94.9000110.6F435 I446 V447 T478 C481 F759W433-F435 HydrophobicContact CB-CD2 4.35Å; W433-F435 HydrophobicContact CB-CE2 3.39Å; W433-F435 HydrophobicContact CB-CZ 3.52Å; W433-F435 HydrophobicContact CG-CE2 4.34Å; W433-F435 HydrophobicContact CG-CZ 4.21Å; W433-I446 CarbonylContact O-C 3.57Å; W433-I446 WeakPolarHBondContact O-CA 3.47Å; W433-V447 HydrophobicContact CE3-CB 4.34Å; W433-V447 HydrophobicContact CE3-CG1 4.14Å; W433-V447 PolarHBondContact N-O 3Å; W433-V447 PolarHBondContact O-N 2.99Å; W433-T478 HydrophobicContact CE3-CG2 4.48Å; W433-T478 HydrophobicContact CH2-CG2 4.06Å; W433-T478 HydrophobicContact CZ3-CG2 3.83Å; W433-C481 HydrophobicContact CB-CB 4.35Å; W433-C481 HydrophobicContact CD2-CB 4.18Å; W433-C481 HydrophobicContact CE3-CB 4.47Å; W433-C481 HydrophobicContact CG-CB 4.13Å; W433-F759 HydrophobicContact CZ2-CZ 4.1Å; W433-F759 AromaticContact NE1-CZ 3.91Å
434C94.5Very high89.3Confident9 Ų957.9 Ų57.96%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-101.9138.2178.9-58.70000110.4D443 T445 T761 P762 L763C434-D443 HydrophobicContact CB-CB 4.13Å; C434-T445 CarbonylContact C-O 3.57Å; C434-T445 VanDerWaalsContact CA-O 3.3Å; C434-T445 WeakPolarHBondContact CA-O 3Å; C434-T761 VanDerWaalsContact SG-CG2 3.59Å; C434-P762 WeakPolarHBondContact CB-O 3.39Å; C434-L763 HydrophobicContact CB-CB 4.39Å; C434-L763 HydrophobicContact CB-CD1 3.8Å
435F92.1Very high89.4Confident15 Ų1556 Ų567%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-146.2155.5179.9-59.5-63.3000113.1W433 I437 D443 D444 T445 V447 C481 T483 L509W433-F435 HydrophobicContact CB-CD2 4.35Å; W433-F435 HydrophobicContact CB-CE2 3.39Å; W433-F435 HydrophobicContact CB-CZ 3.52Å; W433-F435 HydrophobicContact CG-CE2 4.34Å; W433-F435 HydrophobicContact CG-CZ 4.21Å; F435-I437 HydrophobicContact CB-CG1 4.11Å; F435-I437 PolarHBondContact O-N 3.36Å; F435-D443 WeakPolarHBondContact CA-OD1 3.41Å; F435-D444 PolarHBondContact O-N 3.4Å; F435-T445 PolarHBondContact N-O 2.64Å; F435-T445 PolarHBondContact O-N 2.94Å; F435-T445 VanDerWaalsContact O-N 3.09Å; F435-V447 HydrophobicContact CD2-CG2 4.03Å; F435-V447 HydrophobicContact CE2-CG2 4.16Å; F435-C481 HydrophobicContact CE2-CB 3.45Å; F435-C481 VanDerWaalsContact CE2-CB 3.45Å; F435-C481 HydrophobicContact CZ-CB 3.54Å; F435-T483 HydrophobicContact CD1-CG2 3.74Å; F435-T483 HydrophobicContact CE1-CG2 4.4Å; F435-T483 HydrophobicContact CG-CG2 4.36Å; F435-L509 HydrophobicContact CD1-CD1 4.41Å; F435-L509 HydrophobicContact CD2-CD1 3.71Å; F435-L509 HydrophobicContact CE1-CD1 4.49Å; F435-L509 HydrophobicContact CE2-CD1 3.79Å; F435-L509 HydrophobicContact CG-CD1 4.05Å; F435-L509 HydrophobicContact CZ-CD1 4.19Å
436P90.4Very high89.7Confident25 Ų2549.2 Ų49.216%0.16224%0.236CC..  trans-87.693.6167.435.4-31.7000109.3S439 F442 D443P436-S439 WeakPolarHBondContact CB-O 3.14Å; P436-F442 VanDerWaalsContact CB-O 3.28Å; P436-F442 WeakPolarHBondContact CB-O 3.44Å; P436-D443 WeakPolarHBondContact CD-OD1 3.34Å
437I89.6Confident90.1Very high1 Ų147.7 Ų47.71%0.00523%0.23CC..SBendtrans-88.5-40.9-176.2-62.9-166.9000111.9F435 D444 T445 L456 L467 L469 L509 I522 Q523 C526F435-I437 HydrophobicContact CB-CG1 4.11Å; F435-I437 PolarHBondContact O-N 3.36Å; I437-D444 PolarHBondContact N-OD1 3.16Å; I437-D444 PolarHBondContact N-OD2 3.42Å; I437-T445 HydrophobicContact CD1-CG2 3.62Å; I437-T445 HydrophobicContact CG1-CG2 4.37Å; I437-L456 HydrophobicContact CD1-CD2 4.3Å; I437-L467 HydrophobicContact CD1-CD2 4.48Å; I437-L469 HydrophobicContact CD1-CD2 4.22Å; I437-L469 HydrophobicContact CG2-CD1 4.27Å; I437-L469 HydrophobicContact CG2-CD2 4.48Å; I437-L509 HydrophobicContact CD1-CD2 4.2Å; I437-I522 HydrophobicContact CG1-CG2 4.49Å; I437-I522 HydrophobicContact CG2-CB 4.42Å; I437-I522 HydrophobicContact CG2-CG2 4.06Å; I437-Q523 VanDerWaalsContact O-CA 3.3Å; I437-Q523 WeakPolarHBondContact O-CA 3.2Å; I437-Q523 PolarHBondContact O-N 3.17Å; I437-C526 PolarHBondContact O-SG 3.05Å; I437-C526 VanDerWaalsContact O-SG 3.34Å
438E87Confident90.6Very high120 Ų12043.2 Ų43.256%0.56121%0.205SC*.SBendtrans-107.4-31.9178.2-57.4-168.2164.700111.7D444E438-D444 WeakPolarHBondContact CA-OD2 3.41Å; E438-D444 PolarHBondContact N-OD2 2.86Å
439S85.1Confident91Very high33 Ų3337.6 Ų37.623%0.23118%0.176CC..  trans-77.8147.6177179.20000112.4P436 R441 F442 D444 Q523P436-S439 WeakPolarHBondContact CB-O 3.14Å; S439-R441 PolarHBondContact OG-N 3.41Å; S439-F442 VanDerWaalsContact CB-O 3.25Å; S439-F442 WeakPolarHBondContact CB-O 3.34Å; S439-F442 PolarHBondContact OG-N 3.19Å; S439-F442 VanDerWaalsContact OG-N 3.07Å; S439-F442 PolarHBondContact OG-O 3.18Å; S439-D444 WeakPolarHBondContact CB-OD2 3.1Å; S439-D444 PolarHBondContact N-OD2 3.49Å; S439-Q523 PolarHBondContact O-NE2 2.82Å
440D79.2Confident91Very high132 Ų13238.4 Ų38.471%0.70618%0.18SC*.SBendtrans-83.7-15.7175.2-66.5-27.3000113.6
441R80.9Confident90.9Very high205 Ų20537.4 Ų37.477%0.77418%0.183SC*.SBendtrans-138.5-29.4-165-67.4-172.2-179.8-168-0.3116.6S439S439-R441 PolarHBondContact OG-N 3.41Å
442F87.8Confident90.7Very high78 Ų7839.6 Ų39.634%0.34221%0.206SC..SBendtrans-118.1140.6-172.6-63.1-74000110.2P436 S439 D444 N764 L766P436-F442 VanDerWaalsContact CB-O 3.28Å; P436-F442 WeakPolarHBondContact CB-O 3.44Å; S439-F442 VanDerWaalsContact CB-O 3.25Å; S439-F442 WeakPolarHBondContact CB-O 3.34Å; S439-F442 PolarHBondContact OG-N 3.19Å; S439-F442 VanDerWaalsContact OG-N 3.07Å; S439-F442 PolarHBondContact OG-O 3.18Å; F442-D444 PolarHBondContact O-N 2.93Å; F442-N764 WeakPolarHBondContact CA-O 3.44Å; F442-L766 HydrophobicContact CD2-CB 4.41Å; F442-L766 HydrophobicContact CD2-CD1 4.12Å; F442-L766 HydrophobicContact CE2-CD1 3.79Å; F442-L766 HydrophobicContact CG-CB 4.33Å; F442-L766 HydrophobicContact CZ-CD1 4.02Å
443D90.6Very high90.6Very high31 Ų3143.7 Ų43.717%0.16623%0.225CC..  trans-64118.3173.3-65.6-41.6000109.6C434 F435 P436 L763 N764 G765C434-D443 HydrophobicContact CB-CB 4.13Å; F435-D443 WeakPolarHBondContact CA-OD1 3.41Å; P436-D443 WeakPolarHBondContact CD-OD1 3.34Å; D443-L763 HydrophobicContact CB-CD1 3.67Å; D443-N764 PolarHBondContact N-O 2.97Å; D443-N764 PolarHBondContact OD2-N 2.79Å; D443-G765 VanDerWaalsContact O-CA 3.28Å; D443-G765 WeakPolarHBondContact O-CA 3.42Å
444D92.5Very high90.6Very high13 Ų1343.4 Ų43.47%0.0722%0.224CC..  trans-115.1-4.9-176.861.428.8000112.6F435 I437 E438 S439 F442 H458 L459F435-D444 PolarHBondContact O-N 3.4Å; I437-D444 PolarHBondContact N-OD1 3.16Å; I437-D444 PolarHBondContact N-OD2 3.42Å; E438-D444 WeakPolarHBondContact CA-OD2 3.41Å; E438-D444 PolarHBondContact N-OD2 2.86Å; S439-D444 WeakPolarHBondContact CB-OD2 3.1Å; S439-D444 PolarHBondContact N-OD2 3.49Å; F442-D444 PolarHBondContact O-N 2.93Å; D444-H458 CarbonylContact O-C 3.52Å; D444-H458 WeakPolarHBondContact O-CA 3.41Å; D444-H458 PolarHBondContact O-ND1 3.25Å; D444-L459 PolarHBondContact O-N 2.87Å
445T94.4Very high90.6Very high0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-140.3136.7-175.7-54.30000111.6C434 F435 I437 L456 L457 L467C434-T445 CarbonylContact C-O 3.57Å; C434-T445 VanDerWaalsContact CA-O 3.3Å; C434-T445 WeakPolarHBondContact CA-O 3Å; F435-T445 PolarHBondContact N-O 2.64Å; F435-T445 PolarHBondContact O-N 2.94Å; F435-T445 VanDerWaalsContact O-N 3.09Å; I437-T445 HydrophobicContact CD1-CG2 3.62Å; I437-T445 HydrophobicContact CG1-CG2 4.37Å; T445-L456 HydrophobicContact CG2-CB 4.21Å; T445-L456 HydrophobicContact CG2-CD2 4.36Å; T445-L457 CarbonylContact C-O 3.48Å; T445-L457 VanDerWaalsContact CA-O 3.24Å; T445-L457 WeakPolarHBondContact CA-O 3.36Å; T445-L457 WeakPolarHBondContact CG2-O 3.34Å; T445-L467 HydrophobicContact CG2-CD2 3.71Å
446I95Very high90.7Very high0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-107.2120.6166.7-46-172.5000109.6A432 W433 V448 L456 L457 L459 L780 I782A432-I446 HydrophobicContact CB-CG2 4.38Å; W433-I446 CarbonylContact O-C 3.57Å; W433-I446 WeakPolarHBondContact O-CA 3.47Å; I446-V448 HydrophobicContact CG2-CG2 3.95Å; I446-L456 CarbonylContact O-C 3.57Å; I446-L456 WeakPolarHBondContact O-CA 3.42Å; I446-L457 HydrophobicContact CB-CB 4.44Å; I446-L457 PolarHBondContact N-O 2.96Å; I446-L457 PolarHBondContact O-N 3.1Å; I446-L459 HydrophobicContact CD1-CD1 4.09Å; I446-L459 HydrophobicContact CD1-CD2 3.99Å; I446-L459 HydrophobicContact CD1-CG 4.41Å; I446-L459 HydrophobicContact CG1-CD1 3.83Å; I446-L459 HydrophobicContact CG1-CD2 4.17Å; I446-L459 HydrophobicContact CG1-CG 4.11Å; I446-L780 HydrophobicContact CD1-CD2 4.41Å; I446-L780 HydrophobicContact CG2-CD2 4.26Å; I446-I782 HydrophobicContact CD1-CD1 3.8Å; I446-I782 HydrophobicContact CD1-CG1 4.34Å
447V95.9Very high90.9Very high0 Ų045.6 Ų45.60%023%0.232CC..EExtended strand (participates in β ladder)trans-86.3116.9168.2179.70000108.4A432 W433 F435 T454 L456 F472A432-V447 CarbonylContact C-O 3.58Å; A432-V447 VanDerWaalsContact CA-O 3.26Å; A432-V447 WeakPolarHBondContact CA-O 3.48Å; W433-V447 HydrophobicContact CE3-CB 4.34Å; W433-V447 HydrophobicContact CE3-CG1 4.14Å; W433-V447 PolarHBondContact N-O 3Å; W433-V447 PolarHBondContact O-N 2.99Å; F435-V447 HydrophobicContact CD2-CG2 4.03Å; F435-V447 HydrophobicContact CE2-CG2 4.16Å; V447-T454 HydrophobicContact CG1-CG2 3.57Å; V447-L456 HydrophobicContact CG2-CD2 4.38Å; V447-L456 HydrophobicContact CG2-CG 4.31Å; V447-F472 HydrophobicContact CG1-CE1 4.3Å; V447-F472 HydrophobicContact CG1-CE2 4.49Å; V447-F472 HydrophobicContact CG1-CZ 3.68Å; V447-F472 HydrophobicContact CG2-CE2 4.49Å; V447-F472 HydrophobicContact CG2-CZ 4.4Å
448V95.5Very high91Very high0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-109.5110.2-179.1-1770000109.7I429 I446 T454 Q455 L457 L780I429-V448 HydrophobicContact CB-CG1 4.48Å; I429-V448 HydrophobicContact CD1-CG1 3.86Å; I429-V448 HydrophobicContact CG1-CG1 3.84Å; I429-V448 HydrophobicContact CG2-CG1 3.87Å; I446-V448 HydrophobicContact CG2-CG2 3.95Å; V448-T454 WeakPolarHBondContact O-CA 3.5Å; V448-T454 WeakPolarHBondContact O-CG2 3.13Å; V448-Q455 PolarHBondContact N-O 2.83Å; V448-Q455 PolarHBondContact O-N 2.95Å; V448-L457 HydrophobicContact CG2-CD1 3.84Å; V448-L457 HydrophobicContact CG2-CG 4.31Å; V448-L780 HydrophobicContact CG2-CD2 3.96Å
449S95Very high91.1Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-89.8137.2175.8-179.70000111.5I429 K430 G431 Q477 T478I429-S449 CarbonylContact C-O 3.56Å; I429-S449 WeakPolarHBondContact CA-O 3.31Å; I429-S449 WeakPolarHBondContact CG2-O 3.41Å; K430-S449 PolarHBondContact N-O 2.87Å; G431-S449 PolarHBondContact O-N 3.11Å; S449-Q477 VanDerWaalsContact OG-CG 3.31Å; S449-Q477 WeakPolarHBondContact OG-CG 3.4Å; S449-T478 WeakPolarHBondContact CB-O 3.49Å; S449-T478 PolarHBondContact OG-N 3.44Å; S449-T478 PolarHBondContact OG-O 2.89Å
450M92.1Very high90.9Very high23 Ų2342.9 Ų42.911%0.11322%0.223CC..EExtended strand (participates in β ladder)trans-125176.6175.1-52-178.883.400110.1Q426 D427 G452 Q453 Q477Q426-M450 HydrophobicContact CG-CE 3.89Å; Q426-M450 PolarHBondContact NE2-SD 2.92Å; D427-M450 WeakPolarHBondContact O-CE 3.4Å; M450-G452 PolarHBondContact O-N 3.18Å; M450-Q453 CarbonylContact C-O 3.58Å; M450-Q453 HydrophobicContact CB-CG 3.9Å; M450-Q453 HydrophobicContact CG-CG 4.41Å; M450-Q453 PolarHBondContact N-O 3.3Å; M450-Q453 VanDerWaalsContact O-O 3.08Å; M450-Q453 HydrophobicContact SD-CG 4.18Å; M450-Q453 PolarHBondContact SD-NE2 3.2Å; M450-Q477 WeakPolarHBondContact O-CG 3.44Å
451V88Confident90.8Very high91 Ų9142 Ų4255%0.55222%0.218SC*.THydrogen-bonded Turntrans-65.9107.5173.9-1770000109.9K430K430-V451 HydrophobicContact CD-CG2 4.3Å; K430-V451 VanDerWaalsContact CE-CG2 3.41Å; K430-V451 HydrophobicContact CG-CG2 3.95Å
452G88.2Confident90.6Very high46 Ų4638 Ų3847%0.47421%0.212SC..THydrogen-bonded Turntrans82.51.1175.900000116.5M450 D475M450-G452 PolarHBondContact O-N 3.18Å; G452-D475 CarbonylContact O-C 3.58Å
453Q93.6Very high90.4Very high86 Ų8639.2 Ų39.240%0.40222%0.222SC..EExtended strand (participates in β ladder)trans-150163.1176.466.9-179.110.200111.7M450 T474 E476M450-Q453 CarbonylContact C-O 3.58Å; M450-Q453 HydrophobicContact CB-CG 3.9Å; M450-Q453 HydrophobicContact CG-CG 4.41Å; M450-Q453 PolarHBondContact N-O 3.3Å; M450-Q453 VanDerWaalsContact O-O 3.08Å; M450-Q453 HydrophobicContact SD-CG 4.18Å; M450-Q453 PolarHBondContact SD-NE2 3.2Å; Q453-T474 CarbonylContact C-O 3.55Å; Q453-T474 VanDerWaalsContact CA-O 3.29Å; Q453-T474 WeakPolarHBondContact CA-O 3.35Å; Q453-T474 WeakPolarHBondContact CB-O 3.34Å; Q453-E476 CarbonylContact C-O 3.57Å; Q453-E476 VanDerWaalsContact C-O 3.27Å
454T95Very high90.3Very high3 Ų339.8 Ų39.82%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-133.8138.8173-51.50000110.1V447 V448 F472 T474 E476 T478V447-T454 HydrophobicContact CG1-CG2 3.57Å; V448-T454 WeakPolarHBondContact O-CA 3.5Å; V448-T454 WeakPolarHBondContact O-CG2 3.13Å; T454-F472 HydrophobicContact CG2-CE1 3.74Å; T454-F472 HydrophobicContact CG2-CZ 4.22Å; T454-T474 PolarHBondContact N-O 2.72Å; T454-T474 WeakPolarHBondContact O-CA 3.4Å; T454-T474 VanDerWaalsContact O-CB 3.23Å; T454-T474 WeakPolarHBondContact O-CB 3.46Å; T454-T474 WeakPolarHBondContact O-CG2 3.43Å; T454-E476 PolarHBondContact N-O 2.9Å; T454-E476 PolarHBondContact OG1-O 3.01Å; T454-T478 WeakPolarHBondContact CG2-OG1 3.44Å; T454-T478 WeakPolarHBondContact OG1-CB 3.4Å; T454-T478 PolarHBondContact OG1-N 2.75Å; T454-T478 PolarHBondContact OG1-OG1 2.71Å
455Q94.3Very high90.2Very high71 Ų7142.2 Ų42.233%0.33224%0.241SC..EExtended strand (participates in β ladder)trans-115.9156.1175.9-63.3178.1-3.900110V448V448-Q455 PolarHBondContact N-O 2.83Å; V448-Q455 PolarHBondContact O-N 2.95Å
456L94.4Very high90.1Very high5 Ų546.6 Ų46.63%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-121.8137170.6-63.584.3000108.3I437 T445 I446 V447 L467 L469 F472 T474I437-L456 HydrophobicContact CD1-CD2 4.3Å; T445-L456 HydrophobicContact CG2-CB 4.21Å; T445-L456 HydrophobicContact CG2-CD2 4.36Å; I446-L456 CarbonylContact O-C 3.57Å; I446-L456 WeakPolarHBondContact O-CA 3.42Å; V447-L456 HydrophobicContact CG2-CD2 4.38Å; V447-L456 HydrophobicContact CG2-CG 4.31Å; L456-L467 HydrophobicContact CB-CB 3.93Å; L456-L467 HydrophobicContact CD2-CD2 4.45Å; L456-L467 PolarHBondContact O-N 2.87Å; L456-L469 HydrophobicContact CD2-CB 3.86Å; L456-L469 HydrophobicContact CD2-CD2 4.37Å; L456-F472 HydrophobicContact CD1-CD1 3.69Å; L456-F472 HydrophobicContact CD1-CE1 3.97Å; L456-F472 HydrophobicContact CD1-CG 4.19Å; L456-F472 HydrophobicContact CD2-CD2 4.47Å; L456-F472 HydrophobicContact CD2-CG 4.41Å; L456-T474 HydrophobicContact CD1-CG2 4.14Å
457L94.1Very high89.9Confident19 Ų1948.4 Ų48.410%0.09929%0.286CS..EExtended strand (participates in β ladder)trans-122.8122.5179.6-58.2176.8000108.9I424 T445 I446 V448 I464 T465I424-L457 HydrophobicContact CD1-CD1 3.77Å; T445-L457 CarbonylContact C-O 3.48Å; T445-L457 VanDerWaalsContact CA-O 3.24Å; T445-L457 WeakPolarHBondContact CA-O 3.36Å; T445-L457 WeakPolarHBondContact CG2-O 3.34Å; I446-L457 HydrophobicContact CB-CB 4.44Å; I446-L457 PolarHBondContact N-O 2.96Å; I446-L457 PolarHBondContact O-N 3.1Å; V448-L457 HydrophobicContact CG2-CD1 3.84Å; V448-L457 HydrophobicContact CG2-CG 4.31Å; L457-I464 HydrophobicContact CB-CG2 3.95Å; L457-I464 HydrophobicContact CD1-CG2 4.26Å; L457-T465 CarbonylContact C-O 3.58Å; L457-T465 WeakPolarHBondContact CA-O 3.34Å
458H92.9Very high89.7Confident39 Ų3955.7 Ų55.718%0.18132%0.32CS..EExtended strand (participates in β ladder)trans-85.4139.9173.1-175.460.1000110.6D444 I464 T465 L467D444-H458 CarbonylContact O-C 3.52Å; D444-H458 WeakPolarHBondContact O-CA 3.41Å; D444-H458 PolarHBondContact O-ND1 3.25Å; H458-I464 WeakPolarHBondContact O-CA 3.31Å; H458-T465 PolarHBondContact N-O 2.96Å; H458-T465 PolarHBondContact O-N 3.4Å; H458-L467 HydrophobicContact CB-CB 4.21Å
459L89.2Confident89.5Confident17 Ų1756.2 Ų56.29%0.08932%0.322CS..EExtended strand (participates in β ladder)trans-106.8102.3179.8-59.7175.2000108.8D444 I446 I464 L763 I782D444-L459 PolarHBondContact O-N 2.87Å; I446-L459 HydrophobicContact CD1-CD1 4.09Å; I446-L459 HydrophobicContact CD1-CD2 3.99Å; I446-L459 HydrophobicContact CD1-CG 4.41Å; I446-L459 HydrophobicContact CG1-CD1 3.83Å; I446-L459 HydrophobicContact CG1-CD2 4.17Å; I446-L459 HydrophobicContact CG1-CG 4.11Å; L459-I464 HydrophobicContact CD2-CD1 4.11Å; L459-I464 HydrophobicContact CD2-CG1 3.97Å; L459-I464 HydrophobicContact CD2-CG2 4.24Å; L459-L763 HydrophobicContact CD1-CD1 3.51Å; L459-L763 HydrophobicContact CD1-CD2 4.11Å; L459-L763 HydrophobicContact CD1-CG 4.44Å; L459-I782 HydrophobicContact CD2-CD1 4.23Å
460A80.3Confident89.2Confident41 Ų4161.8 Ų61.834%0.33935%0.349SS..EExtended strand (participates in β ladder)trans-118.7106179.600000109.5D462 D463A460-D462 PolarHBondContact O-N 2.7Å; A460-D462 VanDerWaalsContact O-N 3.15Å; A460-D463 PolarHBondContact N-O 3.06Å; A460-D463 PolarHBondContact O-N 3.03Å
461D77.7Confident89.1Confident113 Ų11362 Ų6260%0.60436%0.357SS*.THydrogen-bonded Turntrans52.6-111.1-173.3-59.4-38.4000112.3F767D461-F767 WeakPolarHBondContact O-CB 3.38Å; D461-F767 WeakPolarHBondContact O-CG 3.38Å
462D76.5Confident89.3Confident122 Ų12258.2 Ų58.265%0.65233%0.333SS*.THydrogen-bonded Turntrans-94.5-7.4175.765.7-23.9000113.9A460 F767A460-D462 PolarHBondContact O-N 2.7Å; A460-D462 VanDerWaalsContact O-N 3.15Å; D462-F767 HydrophobicContact CB-CZ 4.42Å
463D83.6Confident89.6Confident103 Ų10357.9 Ų57.955%0.55132%0.318SS*.EExtended strand (participates in β ladder)trans-101.3143.4-170.9-140.6-5.1000112.3A460A460-D463 PolarHBondContact N-O 3.06Å; A460-D463 PolarHBondContact O-N 3.03Å
464I87.7Confident89.6Confident44 Ų4456.6 Ų56.623%0.22632%0.316CS..EExtended strand (participates in β ladder)trans-123.2115.8-176.6-51.5-177.4000109.6A422 I424 L457 H458 L459 I782A422-I464 HydrophobicContact CB-CD1 4.4Å; I424-I464 HydrophobicContact CD1-CD1 3.88Å; I424-I464 HydrophobicContact CD1-CG2 3.95Å; I424-I464 HydrophobicContact CG1-CD1 4.34Å; L457-I464 HydrophobicContact CB-CG2 3.95Å; L457-I464 HydrophobicContact CD1-CG2 4.26Å; H458-I464 WeakPolarHBondContact O-CA 3.31Å; L459-I464 HydrophobicContact CD2-CD1 4.11Å; L459-I464 HydrophobicContact CD2-CG1 3.97Å; L459-I464 HydrophobicContact CD2-CG2 4.24Å; I464-I782 HydrophobicContact CD1-CD1 3.92Å
465T91.8Very high89.6Confident64 Ų6461.7 Ų61.739%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-126.5157.5-170.960.70000112.4L457 H458L457-T465 CarbonylContact C-O 3.58Å; L457-T465 WeakPolarHBondContact CA-O 3.34Å; H458-T465 PolarHBondContact N-O 2.96Å; H458-T465 PolarHBondContact O-N 3.4Å
466A91.3Very high89.5Confident91 Ų9160 Ų6075%0.75234%0.336SS*.EExtended strand (participates in β ladder)trans-78.8128.2-179.900000112
467L91.6Very high89.5Confident38 Ų3862.6 Ų62.620%0.19935%0.347CS..  trans-102.1147.3179.2-173.965.8000111.7I437 T445 L456 H458I437-L467 HydrophobicContact CD1-CD2 4.48Å; T445-L467 HydrophobicContact CG2-CD2 3.71Å; L456-L467 HydrophobicContact CB-CB 3.93Å; L456-L467 HydrophobicContact CD2-CD2 4.45Å; L456-L467 PolarHBondContact O-N 2.87Å; H458-L467 HydrophobicContact CB-CB 4.21Å
468H90.5Very high89.5Confident153 Ų15361.8 Ų61.871%0.70834%0.343SS*.  trans-120.6110.5168.8-176.169.1000110.6
469L90.9Very high89.5Confident11 Ų1162.1 Ų62.16%0.05835%0.348CS..  trans-99.8122.5174.7-178.363.5000110I437 L456 F472 L509 I520 I522I437-L469 HydrophobicContact CD1-CD2 4.22Å; I437-L469 HydrophobicContact CG2-CD1 4.27Å; I437-L469 HydrophobicContact CG2-CD2 4.48Å; L456-L469 HydrophobicContact CD2-CB 3.86Å; L456-L469 HydrophobicContact CD2-CD2 4.37Å; L469-F472 HydrophobicContact CB-CB 4.05Å; L469-F472 HydrophobicContact CD2-CB 4.24Å; L469-F472 HydrophobicContact CD2-CD2 4.18Å; L469-F472 HydrophobicContact CG-CB 4.24Å; L469-F472 WeakPolarHBondContact O-CB 3.26Å; L469-F472 PolarHBondContact O-N 3.13Å; L469-L509 HydrophobicContact CD2-CD2 3.8Å; L469-I520 HydrophobicContact CD2-CG2 3.85Å; L469-I520 HydrophobicContact CG-CG2 4.06Å; L469-I522 HydrophobicContact CD2-CG2 4.36Å
470E88.7Confident89.8Confident118 Ų11862.9 Ų62.955%0.55135%0.35SS*.THydrogen-bonded Turntrans-62.1138.6-179-168.9170.6-170.600111F472 G529E470-F472 PolarHBondContact O-N 2.79Å; E470-F472 VanDerWaalsContact O-N 3.14Å; E470-G529 WeakPolarHBondContact O-CA 3.07Å
471G90.2Very high90.5Very high28 Ų2861.1 Ų61.129%0.28934%0.335SS..THydrogen-bonded Turntrans75.9-12.6-178.600000116.2
472F93.5Very high91.2Very high11 Ų1156.4 Ų56.45%0.04831%0.312CS..  trans-72131.6170-162.5-77.5000110.3V447 T454 L456 L469 E470 T474 L509 Q511 I520V447-F472 HydrophobicContact CG1-CE1 4.3Å; V447-F472 HydrophobicContact CG1-CE2 4.49Å; V447-F472 HydrophobicContact CG1-CZ 3.68Å; V447-F472 HydrophobicContact CG2-CE2 4.49Å; V447-F472 HydrophobicContact CG2-CZ 4.4Å; T454-F472 HydrophobicContact CG2-CE1 3.74Å; T454-F472 HydrophobicContact CG2-CZ 4.22Å; L456-F472 HydrophobicContact CD1-CD1 3.69Å; L456-F472 HydrophobicContact CD1-CE1 3.97Å; L456-F472 HydrophobicContact CD1-CG 4.19Å; L456-F472 HydrophobicContact CD2-CD2 4.47Å; L456-F472 HydrophobicContact CD2-CG 4.41Å; L469-F472 HydrophobicContact CB-CB 4.05Å; L469-F472 HydrophobicContact CD2-CB 4.24Å; L469-F472 HydrophobicContact CD2-CD2 4.18Å; L469-F472 HydrophobicContact CG-CB 4.24Å; L469-F472 WeakPolarHBondContact O-CB 3.26Å; L469-F472 PolarHBondContact O-N 3.13Å; E470-F472 PolarHBondContact O-N 2.79Å; E470-F472 VanDerWaalsContact O-N 3.14Å; F472-T474 HydrophobicContact CD1-CG2 4.33Å; F472-T474 PolarHBondContact O-N 3.24Å; F472-L509 HydrophobicContact CD2-CD2 3.84Å; F472-L509 HydrophobicContact CE2-CD2 3.83Å; F472-Q511 HydrophobicContact CD2-CB 4.35Å; F472-Q511 HydrophobicContact CD2-CG 4.46Å; F472-Q511 HydrophobicContact CE1-CG 4.22Å; F472-Q511 HydrophobicContact CE2-CB 3.89Å; F472-Q511 HydrophobicContact CE2-CG 3.8Å; F472-Q511 HydrophobicContact CZ-CB 4.28Å; F472-Q511 VanDerWaalsContact CZ-CD 3.49Å; F472-Q511 HydrophobicContact CZ-CG 3.66Å; F472-I520 HydrophobicContact CB-CD1 3.89Å; F472-I520 HydrophobicContact CD2-CD1 3.47Å; F472-I520 VanDerWaalsContact CD2-CD1 3.47Å; F472-I520 HydrophobicContact CE2-CD1 4.3Å; F472-I520 HydrophobicContact CG-CD1 3.99Å
473K93.8Very high91.9Very high39 Ų3953.5 Ų53.517%0.1730%0.299CS..  trans-89.5108.3-173.9-166.5172-176.51750111.4D475 E476 Q511 T513K473-D475 WeakPolarHBondContact CE-OD1 3.42Å; K473-D475 WeakPolarHBondContact CE-OD2 3.41Å; K473-D475 WeakPolarHBondContact CG-OD1 3.37Å; K473-D475 IonicContact NZ-OD2 2.94Å; K473-E476 HydrophobicContact CD-CB 4.19Å; K473-E476 HydrophobicContact CD-CG 4.21Å; K473-E476 VanDerWaalsContact CE-CD 3.46Å; K473-E476 HydrophobicContact CG-CB 4.43Å; K473-E476 IonicContact NZ-OE1 3.58Å; K473-E476 PolarHBondContact NZ-OE1 2.8Å; K473-E476 IonicContact NZ-OE2 3.96Å; K473-Q511 PolarHBondContact O-NE2 2.96Å; K473-T513 HydrophobicContact CB-CG2 4.32Å
474T94.2Very high92.2Very high58 Ų5848.7 Ų48.736%0.35627%0.273SS..  trans-96.7-17.2-17757.20000114.1Q453 T454 L456 F472 E476Q453-T474 CarbonylContact C-O 3.55Å; Q453-T474 VanDerWaalsContact CA-O 3.29Å; Q453-T474 WeakPolarHBondContact CA-O 3.35Å; Q453-T474 WeakPolarHBondContact CB-O 3.34Å; T454-T474 PolarHBondContact N-O 2.72Å; T454-T474 WeakPolarHBondContact O-CA 3.4Å; T454-T474 VanDerWaalsContact O-CB 3.23Å; T454-T474 WeakPolarHBondContact O-CB 3.46Å; T454-T474 WeakPolarHBondContact O-CG2 3.43Å; L456-T474 HydrophobicContact CD1-CG2 4.14Å; F472-T474 HydrophobicContact CD1-CG2 4.33Å; F472-T474 PolarHBondContact O-N 3.24Å; T474-E476 VanDerWaalsContact C-N 3.3Å; T474-E476 PolarHBondContact O-N 2.79Å
475D94Very high91.8Very high110 Ų11049.2 Ų49.259%0.58828%0.28SS*.SBendtrans-867.7179.465.5-51.6000114.1G452 K473G452-D475 CarbonylContact O-C 3.58Å; K473-D475 WeakPolarHBondContact CE-OD1 3.42Å; K473-D475 WeakPolarHBondContact CE-OD2 3.41Å; K473-D475 WeakPolarHBondContact CG-OD1 3.37Å; K473-D475 IonicContact NZ-OD2 2.94Å
476E92.5Very high90.9Very high36 Ų3646.5 Ų46.517%0.16826%0.264CS..SBendtrans-131.3158.7172.2-84.9178.1-165.300110.9Q453 T454 K473 T474 T478 T513 S515Q453-E476 CarbonylContact C-O 3.57Å; Q453-E476 VanDerWaalsContact C-O 3.27Å; T454-E476 PolarHBondContact N-O 2.9Å; T454-E476 PolarHBondContact OG1-O 3.01Å; K473-E476 HydrophobicContact CD-CB 4.19Å; K473-E476 HydrophobicContact CD-CG 4.21Å; K473-E476 VanDerWaalsContact CE-CD 3.46Å; K473-E476 HydrophobicContact CG-CB 4.43Å; K473-E476 IonicContact NZ-OE1 3.58Å; K473-E476 PolarHBondContact NZ-OE1 2.8Å; K473-E476 IonicContact NZ-OE2 3.96Å; T474-E476 VanDerWaalsContact C-N 3.3Å; T474-E476 PolarHBondContact O-N 2.79Å; E476-T478 PolarHBondContact O-N 2.84Å; E476-T513 HydrophobicContact CB-CG2 4.1Å; E476-T513 WeakPolarHBondContact OE2-CB 3.49Å; E476-T513 PolarHBondContact OE2-OG1 3.03Å; E476-S515 PolarHBondContact OE1-OG 3.25Å; E476-S515 WeakPolarHBondContact OE2-CB 3.31Å; E476-S515 PolarHBondContact OE2-OG 2.88Å
477Q93.7Very high89.8Confident59 Ų5943 Ų4328%0.27624%0.235SC..  trans-69.2124.4168.4-177.9176.9-21.900109.9S449 M450 T513S449-Q477 VanDerWaalsContact OG-CG 3.31Å; S449-Q477 WeakPolarHBondContact OG-CG 3.4Å; M450-Q477 WeakPolarHBondContact O-CG 3.44Å; Q477-T513 WeakPolarHBondContact O-CA 3.35Å
478T95Very high88.4Confident2 Ų246.4 Ų46.41%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-77.7126.6168.3-63.50000109.3W433 S449 T454 E476 C481 Q511 A512W433-T478 HydrophobicContact CE3-CG2 4.48Å; W433-T478 HydrophobicContact CH2-CG2 4.06Å; W433-T478 HydrophobicContact CZ3-CG2 3.83Å; S449-T478 WeakPolarHBondContact CB-O 3.49Å; S449-T478 PolarHBondContact OG-N 3.44Å; S449-T478 PolarHBondContact OG-O 2.89Å; T454-T478 WeakPolarHBondContact CG2-OG1 3.44Å; T454-T478 WeakPolarHBondContact OG1-CB 3.4Å; T454-T478 PolarHBondContact OG1-N 2.75Å; T454-T478 PolarHBondContact OG1-OG1 2.71Å; E476-T478 PolarHBondContact O-N 2.84Å; T478-C481 WeakPolarHBondContact CG2-SG 3.37Å; T478-Q511 HydrophobicContact CG2-CG 4.09Å; T478-Q511 PolarHBondContact OG1-NE2 3.07Å; T478-A512 CarbonylContact C-O 3.57Å; T478-A512 WeakPolarHBondContact CA-O 3.42Å
479V93.3Very high86.2Confident47 Ų4746.5 Ų46.529%0.28526%0.259SS..EExtended strand (participates in β ladder)trans-94.4-29.7-179-172.70000110.8A512 T514V479-A512 PolarHBondContact N-O 2.61Å; V479-T514 HydrophobicContact CG2-CG2 3.91Å
480Y94.5Very high83.9Confident32 Ų3248.7 Ų48.713%0.12528%0.276CS..EExtended strand (participates in β ladder)trans-159.2141.9178.9-174.6-87.4000110A482 L510 A512 L545 S546 S547Y480-A482 HydrophobicContact CD1-CB 4.43Å; Y480-A482 HydrophobicContact CE1-CB 3.56Å; Y480-L510 HydrophobicContact CD1-CD2 4.28Å; Y480-L510 HydrophobicContact CE1-CD2 4.28Å; Y480-A512 PolarHBondContact N-O 3.45Å; Y480-A512 PolarHBondContact O-N 2.99Å; Y480-L545 HydrophobicContact CD1-CD1 3.49Å; Y480-L545 VanDerWaalsContact CD1-CD1 3.49Å; Y480-L545 HydrophobicContact CD1-CG 4.06Å; Y480-L545 HydrophobicContact CD2-CG 4.36Å; Y480-L545 HydrophobicContact CE1-CD1 4.02Å; Y480-L545 HydrophobicContact CG-CD1 3.83Å; Y480-L545 HydrophobicContact CG-CD2 4.43Å; Y480-L545 HydrophobicContact CG-CG 3.85Å; Y480-S546 PolarHBondContact OH-OG 2.77Å; Y480-S547 WeakPolarHBondContact CE1-OG 3.37Å; Y480-S547 PolarHBondContact OH-N 3.23Å; Y480-S547 PolarHBondContact OH-OG 3.45Å
481C94.8Very high81.5Confident4 Ų449.4 Ų49.43%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-129150.8163.7-83.30000111.2W433 F435 T478 L509 L510W433-C481 HydrophobicContact CB-CB 4.35Å; W433-C481 HydrophobicContact CD2-CB 4.18Å; W433-C481 HydrophobicContact CE3-CB 4.47Å; W433-C481 HydrophobicContact CG-CB 4.13Å; F435-C481 HydrophobicContact CE2-CB 3.45Å; F435-C481 VanDerWaalsContact CE2-CB 3.45Å; F435-C481 HydrophobicContact CZ-CB 3.54Å; T478-C481 WeakPolarHBondContact CG2-SG 3.37Å; C481-L509 HydrophobicContact CB-CD1 4.5Å; C481-L510 VanDerWaalsContact CA-O 3.23Å; C481-L510 WeakPolarHBondContact CA-O 3.37Å
482A93.2Very high78.8Confident14 Ų1457.2 Ų57.212%0.11631%0.311CS..EExtended strand (participates in β ladder)trans-157.9157.6169.800000111.5Y480 L510 S547Y480-A482 HydrophobicContact CD1-CB 4.43Å; Y480-A482 HydrophobicContact CE1-CB 3.56Å; A482-L510 PolarHBondContact N-O 2.93Å; A482-L510 WeakPolarHBondContact O-CB 3.36Å; A482-L510 PolarHBondContact O-N 2.65Å; A482-S547 WeakPolarHBondContact CB-OG 3.43Å
483T90.8Very high76Confident61 Ų6162.3 Ų62.337%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-85.8135.7165.544.50000110.8F435 L508 I522F435-T483 HydrophobicContact CD1-CG2 3.74Å; F435-T483 HydrophobicContact CE1-CG2 4.4Å; F435-T483 HydrophobicContact CG-CG2 4.36Å; T483-L508 CarbonylContact C-O 3.58Å; T483-L508 WeakPolarHBondContact CA-O 3.22Å; T483-I522 HydrophobicContact CG2-CD1 3.85Å
484L89.2Confident73.4Confident3 Ų366.3 Ų66.32%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-127157.9-179.7-56.1-175.9000110.2P507 L508 L510 L519 R549 I552 V565L484-P507 CarbonylContact O-C 3.6Å; L484-P507 WeakPolarHBondContact O-CA 3.38Å; L484-L508 PolarHBondContact N-O 3.24Å; L484-L508 PolarHBondContact O-N 3.16Å; L484-L510 HydrophobicContact CD1-CB 3.74Å; L484-L510 HydrophobicContact CD1-CD1 4.4Å; L484-L510 HydrophobicContact CD1-CD2 4.15Å; L484-L510 HydrophobicContact CD1-CG 4.3Å; L484-L510 HydrophobicContact CG-CB 3.98Å; L484-L519 HydrophobicContact CD1-CD2 3.87Å; L484-R549 VanDerWaalsContact CA-O 3.26Å; L484-R549 WeakPolarHBondContact CA-O 3.34Å; L484-R549 WeakPolarHBondContact CB-O 3.36Å; L484-R549 WeakPolarHBondContact CD2-O 3.26Å; L484-I552 HydrophobicContact CD1-CD1 3.76Å; L484-I552 HydrophobicContact CD1-CG1 4.1Å; L484-V565 HydrophobicContact CD1-CG2 3.77Å
485S79.3Confident70.4Confident54 Ų5468.9 Ų68.938%0.37839%0.385SS..  trans-125.7137.5166.3-52.30000108.1R549 H550S485-R549 PolarHBondContact N-O 3.11Å; S485-H550 VanDerWaalsContact O-CB 3.28Å; S485-H550 WeakPolarHBondContact O-CB 3.48Å
486P74.8Confident67.2Low7 Ų772 Ų725%0.04540%0.398CS..PPolyproline II helixtrans-61156.7178.5-21.331.7000113.4L505 L508 V565 G567 S569P486-L505 HydrophobicContact CB-CD1 4.18Å; P486-L505 VanDerWaalsContact O-CD1 3.3Å; P486-L505 WeakPolarHBondContact O-CD1 3.44Å; P486-L508 HydrophobicContact CG-CD1 3.96Å; P486-V565 HydrophobicContact CB-CG1 4.26Å; P486-V565 HydrophobicContact CG-CG1 4.34Å; P486-G567 WeakPolarHBondContact CB-O 3.32Å; P486-S569 WeakPolarHBondContact CD-OG 3.49Å; P486-S569 WeakPolarHBondContact CG-OG 3.21Å
487A67.4Low64.2Low18 Ų1876.4 Ų76.415%0.14942%0.42CS..BIsolated β-bridgetrans-72128.3173.100000111.4H550 V565 V566A487-H550 HydrophobicContact CB-CB 4.27Å; A487-V565 PolarHBondContact N-O 2.89Å; A487-V566 HydrophobicContact CB-CG1 4.33Å
488N61.2Low61.4Low109 Ų10981.9 Ų81.958%0.58345%0.45SS*.PPolyproline II helixtrans-78.5120170.5-92.3-40.6000110.5S490 L505N488-S490 PolarHBondContact O-N 3.39Å; N488-L505 WeakPolarHBondContact OD1-CD1 3.48Å
489D45.6Very low58.3Low155 Ų15588.5 Ų88.583%0.82949%0.485SS*.SBendtrans-68.77.7179.4-92-21.1000115.1
490S42.9Very low55.5Low58 Ų5895.2 Ų95.241%0.40651%0.513SS..SBendtrans-112.3120179.969.80000111.9N488 R492N488-S490 PolarHBondContact O-N 3.39Å; S490-R492 PolarHBondContact O-N 3.24Å
491P36.7Very low52.4Low133 Ų133100.3 Ų100.386%0.86454%0.543SS*.  trans-75.278.3173.232.3-34.4000109.9
492R34.6Very low49.6Very low191 Ų191105.9 Ų105.972%0.72157%0.572SS**  trans-82.7132.5167.7-71.3-174.6177.4-169.5-0.1108.8S490 E494S490-R492 PolarHBondContact O-N 3.24Å; R492-E494 PolarHBondContact O-N 3.1Å
493P35.2Very low47.4Very low118 Ų118112.2 Ų112.277%0.76660%0.604SS**  trans-65.6122.7172.827.1-32.5000109.3S495P493-S495 PolarHBondContact O-N 3.35Å
494E38Very low45.7Very low124 Ų124115 Ų11558%0.57962%0.622SS**SBendtrans-72.218.1-169.5-64.6-161.3-161.500115.5R492 M496 K621R492-E494 PolarHBondContact O-N 3.1Å; E494-M496 VanDerWaalsContact C-N 3.34Å; E494-M496 PolarHBondContact O-N 2.86Å; E494-K621 WeakPolarHBondContact OE2-CD 3.45Å; E494-K621 WeakPolarHBondContact OE2-CE 3.16Å; E494-K621 IonicContact OE2-NZ 2.76Å; E494-K621 PolarHBondContact OE2-NZ 2.91Å
495S31Very low44.7Very low111 Ų111117.2 Ų117.278%0.77663%0.633SS**  trans-83.44.4-172.4-172.90000115.1P493P493-S495 PolarHBondContact O-N 3.35Å
496M27Very low44.6Very low177 Ų177117.8 Ų117.887%0.87263%0.632SS**  trans-141.686.6-179.6-66.4-174.3109.200111.6E494E494-M496 VanDerWaalsContact C-N 3.34Å; E494-M496 PolarHBondContact O-N 2.86Å
497M29.8Very low45.2Very low127 Ų127118.6 Ų118.663%0.62664%0.637SS**  trans-142.267.5160.9-68.5-159.9103.600111
498I34.4Very low46.4Very low174 Ų174117.8 Ų117.889%0.89263%0.63SS**  trans-122.179.7142.3-56.3177.9000105
499D30.2Very low48Very low142 Ų142112.6 Ų112.676%0.75960%0.602SS**  trans-152110.3169.8-122.7-17.1000105.5N501D499-N501 PolarHBondContact O-N 2.79Å
500E34.2Very low50.4Low187 Ų187105.2 Ų105.287%0.87456%0.563SS**SBendtrans-73.621.6-170.2-61.9-173.3130.700113.7
501N30.3Very low52.9Low140 Ų140102.4 Ų102.475%0.74954%0.544SS*.  trans-147.568.8-172.5-78.4-65.9000113D499D499-N501 PolarHBondContact O-N 2.79Å
502N35.7Very low55.7Low120 Ų12096.1 Ų96.164%0.64250%0.502SS*.SBendtrans-172.4119.4153.2-107.9-54.4000115.1T504N502-T504 PolarHBondContact O-N 2.76Å
503N46.8Very low58.6Low148 Ų14887 Ų8779%0.79147%0.468SS*.  trans33.864.3156.2-76.417.6000118.1
504T55.8Low61Low120 Ų12084.6 Ų84.674%0.73645%0.451SS*.PPolyproline II helixtrans-71.5123.9148.145.80000108.4N502N502-T504 PolarHBondContact O-N 2.76Å
505L67.8Low63.5Low48 Ų4880.6 Ų80.625%0.25144%0.437SS..PPolyproline II helixtrans-61.1134.6175.3-80.2167.8000110.3P486 N488P486-L505 HydrophobicContact CB-CD1 4.18Å; P486-L505 VanDerWaalsContact O-CD1 3.3Å; P486-L505 WeakPolarHBondContact O-CD1 3.44Å; N488-L505 WeakPolarHBondContact OD1-CD1 3.48Å
506D78.1Confident66.6Low66 Ų6675.5 Ų75.535%0.35340%0.402SS..PPolyproline II helixtrans-55.7134.6175.9-54.3-72.2000110.2S524 L525 S569D506-S524 PolarHBondContact OD1-OG 2.79Å; D506-L525 HydrophobicContact CB-CD1 3.73Å; D506-L525 HydrophobicContact CB-CG 4.11Å; D506-S569 PolarHBondContact N-OG 3.3Å; D506-S569 WeakPolarHBondContact O-CB 3.37Å; D506-S569 PolarHBondContact O-OG 2.98Å
507P86.7Confident69.9Low25 Ų2567.1 Ų67.116%0.16236%0.361CS..PPolyproline II helixtrans-73.9160.1178.831.7-34.3000111.8L484 I522L484-P507 CarbonylContact O-C 3.6Å; L484-P507 WeakPolarHBondContact O-CA 3.38Å; P507-I522 HydrophobicContact CB-CD1 4.26Å; P507-I522 HydrophobicContact CG-CD1 4.15Å; P507-I522 HydrophobicContact CG-CG1 4.24Å; P507-I522 WeakPolarHBondContact O-CG1 3.35Å
508L92.2Very high73Confident0 Ų062.7 Ų62.70%034%0.337CS..EExtended strand (participates in β ladder)trans-127.8141.3-178.3-62.2177.5000109.5T483 L484 P486 L519 L525 L531 V565 P572T483-L508 CarbonylContact C-O 3.58Å; T483-L508 WeakPolarHBondContact CA-O 3.22Å; L484-L508 PolarHBondContact N-O 3.24Å; L484-L508 PolarHBondContact O-N 3.16Å; P486-L508 HydrophobicContact CG-CD1 3.96Å; L508-L519 HydrophobicContact CD1-CD1 4.19Å; L508-L525 HydrophobicContact CD2-CD1 3.91Å; L508-L531 HydrophobicContact CD2-CD1 3.5Å; L508-L531 VanDerWaalsContact CD2-CD1 3.5Å; L508-V565 HydrophobicContact CD1-CG1 4.41Å; L508-P572 HydrophobicContact CD1-CB 3.67Å; L508-P572 HydrophobicContact CD1-CG 3.65Å
509L94Very high75.9Confident0 Ų054.4 Ų54.40%030%0.295CS..EExtended strand (participates in β ladder)trans-88.1115171.7-176.862.3000109.4F435 I437 L469 F472 C481 I520 I522F435-L509 HydrophobicContact CD1-CD1 4.41Å; F435-L509 HydrophobicContact CD2-CD1 3.71Å; F435-L509 HydrophobicContact CE1-CD1 4.49Å; F435-L509 HydrophobicContact CE2-CD1 3.79Å; F435-L509 HydrophobicContact CG-CD1 4.05Å; F435-L509 HydrophobicContact CZ-CD1 4.19Å; I437-L509 HydrophobicContact CD1-CD2 4.2Å; L469-L509 HydrophobicContact CD2-CD2 3.8Å; F472-L509 HydrophobicContact CD2-CD2 3.84Å; F472-L509 HydrophobicContact CE2-CD2 3.83Å; C481-L509 HydrophobicContact CB-CD1 4.5Å; L509-I520 HydrophobicContact CB-CB 4.39Å; L509-I520 PolarHBondContact N-O 2.84Å; L509-I520 PolarHBondContact O-N 2.88Å; L509-I522 HydrophobicContact CB-CD1 4.49Å; L509-I522 HydrophobicContact CB-CG2 3.65Å; L509-I522 HydrophobicContact CD2-CG2 4.32Å
510L95.9Very high78.9Confident0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-78.2121.7165.4176.371.7000108.5Y480 C481 A482 L484 L517 R518 L519 L545 I552 F574Y480-L510 HydrophobicContact CD1-CD2 4.28Å; Y480-L510 HydrophobicContact CE1-CD2 4.28Å; C481-L510 VanDerWaalsContact CA-O 3.23Å; C481-L510 WeakPolarHBondContact CA-O 3.37Å; A482-L510 PolarHBondContact N-O 2.93Å; A482-L510 WeakPolarHBondContact O-CB 3.36Å; A482-L510 PolarHBondContact O-N 2.65Å; L484-L510 HydrophobicContact CD1-CB 3.74Å; L484-L510 HydrophobicContact CD1-CD1 4.4Å; L484-L510 HydrophobicContact CD1-CD2 4.15Å; L484-L510 HydrophobicContact CD1-CG 4.3Å; L484-L510 HydrophobicContact CG-CB 3.98Å; L510-L517 HydrophobicContact CD1-CB 4.13Å; L510-L517 HydrophobicContact CD1-CD2 4.32Å; L510-R518 WeakPolarHBondContact CA-O 3.4Å; L510-L519 HydrophobicContact CB-CD2 4.08Å; L510-L519 HydrophobicContact CD1-CD2 3.71Å; L510-L545 HydrophobicContact CD2-CD1 3.96Å; L510-I552 HydrophobicContact CD1-CD1 4.03Å; L510-I552 HydrophobicContact CD2-CD1 4.04Å; L510-I552 HydrophobicContact CD2-CG1 4.29Å; L510-I552 HydrophobicContact CD2-CG2 4.46Å; L510-F574 HydrophobicContact CD1-CE1 4.24Å; L510-F574 HydrophobicContact CD1-CZ 4.14Å
511Q96.3Very high81.6Confident0 Ų038.8 Ų38.80%022%0.217CC..EExtended strand (participates in β ladder)trans-109.9126.3163.1-173.4-165.715.700109.1F472 K473 T478 T513 L517 R518 I520F472-Q511 HydrophobicContact CD2-CB 4.35Å; F472-Q511 HydrophobicContact CD2-CG 4.46Å; F472-Q511 HydrophobicContact CE1-CG 4.22Å; F472-Q511 HydrophobicContact CE2-CB 3.89Å; F472-Q511 HydrophobicContact CE2-CG 3.8Å; F472-Q511 HydrophobicContact CZ-CB 4.28Å; F472-Q511 VanDerWaalsContact CZ-CD 3.49Å; F472-Q511 HydrophobicContact CZ-CG 3.66Å; K473-Q511 PolarHBondContact O-NE2 2.96Å; T478-Q511 HydrophobicContact CG2-CG 4.09Å; T478-Q511 PolarHBondContact OG1-NE2 3.07Å; Q511-T513 HydrophobicContact CG-CG2 4.24Å; Q511-L517 CarbonylContact O-C 3.57Å; Q511-L517 WeakPolarHBondContact O-CA 3.24Å; Q511-R518 HydrophobicContact CB-CB 4.35Å; Q511-R518 PolarHBondContact N-O 3.43Å; Q511-R518 PolarHBondContact O-N 3.06Å; Q511-I520 HydrophobicContact CB-CD1 3.95Å
512A95.9Very high84.4Confident0 Ų032.1 Ų32.10%018%0.181CC..EExtended strand (participates in β ladder)trans-106.1123.616600000109.7T478 V479 Y480 L517 L545T478-A512 CarbonylContact C-O 3.57Å; T478-A512 WeakPolarHBondContact CA-O 3.42Å; V479-A512 PolarHBondContact N-O 2.61Å; Y480-A512 PolarHBondContact N-O 3.45Å; Y480-A512 PolarHBondContact O-N 2.99Å; A512-L517 HydrophobicContact CB-CD2 3.42Å; A512-L517 VanDerWaalsContact CB-CD2 3.42Å; A512-L545 HydrophobicContact CB-CD1 4.03Å; A512-L545 HydrophobicContact CB-CD2 3.37Å; A512-L545 HydrophobicContact CB-CG 4.31Å
513T94.5Very high86.9Confident1 Ų128.3 Ų28.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-108.9176.8166.173.70000109.6K473 E476 Q477 Q511 S515 G516K473-T513 HydrophobicContact CB-CG2 4.32Å; E476-T513 HydrophobicContact CB-CG2 4.1Å; E476-T513 WeakPolarHBondContact OE2-CB 3.49Å; E476-T513 PolarHBondContact OE2-OG1 3.03Å; Q477-T513 WeakPolarHBondContact O-CA 3.35Å; Q511-T513 HydrophobicContact CG-CG2 4.24Å; T513-S515 PolarHBondContact O-N 2.76Å; T513-S515 VanDerWaalsContact O-N 3.15Å; T513-S515 PolarHBondContact OG1-N 3.47Å; T513-S515 PolarHBondContact OG1-OG 3.04Å; T513-S515 VanDerWaalsContact OG1-OG 3.11Å; T513-G516 PolarHBondContact N-O 2.89Å; T513-G516 PolarHBondContact O-N 3.02Å
514T86.4Confident88.7Confident66 Ų6624.9 Ų24.941%0.40515%0.148SC..THydrogen-bonded Turntrans-59.8-22.3174.254.40000113.1V479 G541 I542V479-T514 HydrophobicContact CG2-CG2 3.91Å; T514-G541 CarbonylContact O-C 3.5Å; T514-G541 WeakPolarHBondContact O-CA 3.45Å; T514-I542 PolarHBondContact O-N 2.94Å; T514-I542 VanDerWaalsContact O-N 3.08Å
515S91.1Very high90.1Very high41 Ų4119.8 Ų19.829%0.28712%0.116SC..THydrogen-bonded Turntrans-94.2-15.5-17770.20000115.4E476 T513E476-S515 PolarHBondContact OE1-OG 3.25Å; E476-S515 WeakPolarHBondContact OE2-CB 3.31Å; E476-S515 PolarHBondContact OE2-OG 2.88Å; T513-S515 PolarHBondContact O-N 2.76Å; T513-S515 VanDerWaalsContact O-N 3.15Å; T513-S515 PolarHBondContact OG1-N 3.47Å; T513-S515 PolarHBondContact OG1-OG 3.04Å; T513-S515 VanDerWaalsContact OG1-OG 3.11Å
516G94.7Very high90.8Very high4 Ų419.1 Ų19.14%0.04112%0.115CC..EExtended strand (participates in β ladder)trans164.5-177.3-178.200000114.7T513 W534 I542T513-G516 PolarHBondContact N-O 2.89Å; T513-G516 PolarHBondContact O-N 3.02Å; G516-W534 CarbonylContact C-O 3.59Å; G516-W534 VanDerWaalsContact CA-O 3.32Å; G516-W534 WeakPolarHBondContact CA-O 3.42Å; G516-I542 VanDerWaalsContact C-CD1 3.42Å
517L96.5Very high90.8Very high1 Ų120.4 Ų20.41%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-101.3146172.1-55.7177.3000110.1L510 Q511 A512 E533 W534 I542 L545 I552 L563 F574L510-L517 HydrophobicContact CD1-CB 4.13Å; L510-L517 HydrophobicContact CD1-CD2 4.32Å; Q511-L517 CarbonylContact O-C 3.57Å; Q511-L517 WeakPolarHBondContact O-CA 3.24Å; A512-L517 HydrophobicContact CB-CD2 3.42Å; A512-L517 VanDerWaalsContact CB-CD2 3.42Å; L517-E533 CarbonylContact O-C 3.6Å; L517-E533 VanDerWaalsContact O-CA 3.29Å; L517-E533 WeakPolarHBondContact O-CA 3.15Å; L517-W534 HydrophobicContact CB-CB 4.32Å; L517-W534 HydrophobicContact CB-CE3 4.46Å; L517-W534 HydrophobicContact CD1-CD2 4.37Å; L517-W534 HydrophobicContact CD1-CE3 3.8Å; L517-W534 HydrophobicContact CD1-CZ3 4.31Å; L517-W534 HydrophobicContact CG-CE3 3.84Å; L517-W534 HydrophobicContact CG-CZ3 4.38Å; L517-W534 PolarHBondContact N-O 3.11Å; L517-W534 PolarHBondContact O-N 3.12Å; L517-I542 HydrophobicContact CD2-CD1 3.52Å; L517-I542 HydrophobicContact CG-CD1 3.75Å; L517-L545 HydrophobicContact CD2-CD1 4.07Å; L517-L545 HydrophobicContact CD2-CD2 4.29Å; L517-I552 HydrophobicContact CD1-CG2 4.3Å; L517-L563 HydrophobicContact CD1-CD1 3.6Å; L517-F574 HydrophobicContact CB-CE1 4.24Å; L517-F574 HydrophobicContact CB-CE2 4.29Å; L517-F574 HydrophobicContact CB-CZ 3.71Å; L517-F574 HydrophobicContact CD1-CE1 4.06Å; L517-F574 HydrophobicContact CD1-CZ 4.37Å
518R95.5Very high90.7Very high34 Ų3425.2 Ų25.213%0.12815%0.147CC..EExtended strand (participates in β ladder)trans-130.5137.8175.3-62.1174.1171.6-77.7-27.7109L510 Q511 I520 T532 E533L510-R518 WeakPolarHBondContact CA-O 3.4Å; Q511-R518 HydrophobicContact CB-CB 4.35Å; Q511-R518 PolarHBondContact N-O 3.43Å; Q511-R518 PolarHBondContact O-N 3.06Å; R518-I520 HydrophobicContact CB-CD1 4.44Å; R518-I520 HydrophobicContact CB-CG1 4.39Å; R518-T532 WeakPolarHBondContact CA-O 3.25Å; R518-E533 HydrophobicContact CG-CG 4.33Å; R518-E533 IonicContact CZ-OE1 2.94Å; R518-E533 IonicContact NH1-OE1 2.86Å; R518-E533 PolarHBondContact NH1-OE1 3.29Å; R518-E533 IonicContact NH2-OE1 2.73Å; R518-E533 PolarHBondContact NH2-OE1 2.9Å; R518-E533 IonicContact NH2-OE2 3.22Å; R518-E533 PolarHBondContact NH2-OE2 3.15Å
519L94.9Very high90.5Very high0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-105.3130.7162.4-58.6179.7000109.2L484 L508 L510 L531 T532 V565 P572 F574L484-L519 HydrophobicContact CD1-CD2 3.87Å; L508-L519 HydrophobicContact CD1-CD1 4.19Å; L510-L519 HydrophobicContact CB-CD2 4.08Å; L510-L519 HydrophobicContact CD1-CD2 3.71Å; L519-L531 PolarHBondContact O-N 2.78Å; L519-T532 HydrophobicContact CB-CG2 3.91Å; L519-T532 HydrophobicContact CD1-CG2 3.66Å; L519-T532 HydrophobicContact CG-CG2 3.87Å; L519-T532 PolarHBondContact N-O 3.44Å; L519-V565 HydrophobicContact CD1-CB 4.37Å; L519-V565 HydrophobicContact CD1-CG1 3.56Å; L519-V565 HydrophobicContact CD1-CG2 3.86Å; L519-V565 HydrophobicContact CD2-CG2 4.41Å; L519-P572 HydrophobicContact CB-CG 4.37Å; L519-P572 HydrophobicContact CD1-CB 3.8Å; L519-P572 HydrophobicContact CD1-CG 3.99Å; L519-F574 HydrophobicContact CD1-CE1 4.25Å; L519-F574 HydrophobicContact CD1-CE2 4.37Å; L519-F574 HydrophobicContact CD1-CZ 4.06Å; L519-F574 HydrophobicContact CD2-CE1 4.14Å; L519-F574 HydrophobicContact CD2-CZ 3.86Å; L519-F574 HydrophobicContact CG-CE1 4.09Å; L519-F574 HydrophobicContact CG-CE2 3.99Å; L519-F574 HydrophobicContact CG-CZ 3.53Å
520I94.4Very high90.4Very high0 Ų027.3 Ų27.30%016%0.162CC..EExtended strand (participates in β ladder)trans-123.8136.7-173.7-58.4156.3000107.5L469 F472 L509 Q511 R518L469-I520 HydrophobicContact CD2-CG2 3.85Å; L469-I520 HydrophobicContact CG-CG2 4.06Å; F472-I520 HydrophobicContact CB-CD1 3.89Å; F472-I520 HydrophobicContact CD2-CD1 3.47Å; F472-I520 VanDerWaalsContact CD2-CD1 3.47Å; F472-I520 HydrophobicContact CE2-CD1 4.3Å; F472-I520 HydrophobicContact CG-CD1 3.99Å; L509-I520 HydrophobicContact CB-CB 4.39Å; L509-I520 PolarHBondContact N-O 2.84Å; L509-I520 PolarHBondContact O-N 2.88Å; Q511-I520 HydrophobicContact CB-CD1 3.95Å; R518-I520 HydrophobicContact CB-CD1 4.44Å; R518-I520 HydrophobicContact CB-CG1 4.39Å
521G90.3Very high90.3Very high0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-69.2136.5174.800000111.1L525 C526 G529G521-L525 CarbonylContact C-O 3.55Å; G521-L525 WeakPolarHBondContact CA-O 3.03Å; G521-C526 WeakPolarHBondContact O-CA 3.3Å; G521-G529 PolarHBondContact N-O 2.84Å
522I89.8Confident90.2Very high0 Ų030.6 Ų30.60%018%0.181CC..  trans-128171.617258171.5000110.2I437 L469 T483 P507 L509 S524 L525I437-I522 HydrophobicContact CG1-CG2 4.49Å; I437-I522 HydrophobicContact CG2-CB 4.42Å; I437-I522 HydrophobicContact CG2-CG2 4.06Å; L469-I522 HydrophobicContact CD2-CG2 4.36Å; T483-I522 HydrophobicContact CG2-CD1 3.85Å; P507-I522 HydrophobicContact CB-CD1 4.26Å; P507-I522 HydrophobicContact CG-CD1 4.15Å; P507-I522 HydrophobicContact CG-CG1 4.24Å; P507-I522 WeakPolarHBondContact O-CG1 3.35Å; L509-I522 HydrophobicContact CB-CD1 4.49Å; L509-I522 HydrophobicContact CB-CG2 3.65Å; L509-I522 HydrophobicContact CD2-CG2 4.32Å; I522-S524 PolarHBondContact O-N 3.29Å; I522-L525 WeakPolarHBondContact O-CA 3.39Å; I522-L525 WeakPolarHBondContact O-CB 3.49Å; I522-L525 PolarHBondContact O-N 3.4Å
523Q87.2Confident90.1Very high41 Ų4134.8 Ų34.819%0.19220%0.2CC..G310 helixtrans52.9-118.7-177.2-61.7171.4-16.100110.7I437 S439 L525 C526I437-Q523 VanDerWaalsContact O-CA 3.3Å; I437-Q523 WeakPolarHBondContact O-CA 3.2Å; I437-Q523 PolarHBondContact O-N 3.17Å; S439-Q523 PolarHBondContact O-NE2 2.82Å; Q523-L525 PolarHBondContact O-N 3.12Å; Q523-C526 PolarHBondContact N-SG 3.17Å; Q523-C526 PolarHBondContact O-N 3Å; Q523-C526 VanDerWaalsContact O-N 3.12Å
524S85.1Confident90.2Very high76 Ų7636 Ų3653%0.53121%0.205SC..G310 helixtrans-54.7-19.4174.266.10000114.3D506 I522D506-S524 PolarHBondContact OD1-OG 2.79Å; I522-S524 PolarHBondContact O-N 3.29Å
525L85.1Confident90.6Very high13 Ų1339.1 Ų39.17%0.06821%0.213CC..G310 helixtrans-108.33.2-178.2-59177.2000114.8D506 L508 G521 I522 Q523 S527 K528 S569D506-L525 HydrophobicContact CB-CD1 3.73Å; D506-L525 HydrophobicContact CB-CG 4.11Å; L508-L525 HydrophobicContact CD2-CD1 3.91Å; G521-L525 CarbonylContact C-O 3.55Å; G521-L525 WeakPolarHBondContact CA-O 3.03Å; I522-L525 WeakPolarHBondContact O-CA 3.39Å; I522-L525 WeakPolarHBondContact O-CB 3.49Å; I522-L525 PolarHBondContact O-N 3.4Å; Q523-L525 PolarHBondContact O-N 3.12Å; L525-S527 PolarHBondContact O-N 2.79Å; L525-K528 HydrophobicContact CB-CG 4.29Å; L525-K528 HydrophobicContact CD2-CG 4.18Å; L525-K528 WeakPolarHBondContact O-CB 3.42Å; L525-K528 WeakPolarHBondContact O-CG 3.21Å; L525-K528 PolarHBondContact O-N 2.82Å; L525-S569 WeakPolarHBondContact CD1-O 3.41Å
526C82.1Confident90.6Very high34 Ų3437.6 Ų37.623%0.2320%0.202CC..G310 helixtrans-48.9-31.4-177.7-930000115.1I437 G521 Q523 K528I437-C526 PolarHBondContact O-SG 3.05Å; I437-C526 VanDerWaalsContact O-SG 3.34Å; G521-C526 WeakPolarHBondContact O-CA 3.3Å; Q523-C526 PolarHBondContact N-SG 3.17Å; Q523-C526 PolarHBondContact O-N 3Å; Q523-C526 VanDerWaalsContact O-N 3.12Å; C526-K528 VanDerWaalsContact C-N 3.33Å; C526-K528 PolarHBondContact O-N 2.9Å
527S78.2Confident90.5Very high93 Ų9341.7 Ų41.765%0.6523%0.228SC*.G310 helixtrans-86.811.3-179.358.20000115L525L525-S527 PolarHBondContact O-N 2.79Å
528K84Confident90Very high125 Ų12544.2 Ų44.254%0.54324%0.243SC..G310 helixtrans-97.5-10.4-178-62.5-62.9-176.6-179.30114.7L525 C526 L531L525-K528 HydrophobicContact CB-CG 4.29Å; L525-K528 HydrophobicContact CD2-CG 4.18Å; L525-K528 WeakPolarHBondContact O-CB 3.42Å; L525-K528 WeakPolarHBondContact O-CG 3.21Å; L525-K528 PolarHBondContact O-N 2.82Å; C526-K528 VanDerWaalsContact C-N 3.33Å; C526-K528 PolarHBondContact O-N 2.9Å; K528-L531 HydrophobicContact CB-CD2 3.68Å; K528-L531 HydrophobicContact CG-CD2 4.47Å
529G87.6Confident89.6Confident5 Ų546 Ų465%0.05227%0.273CS..  trans66-149.4-177.500000113.4E470 G521 L531E470-G529 WeakPolarHBondContact O-CA 3.07Å; G521-G529 PolarHBondContact N-O 2.84Å; G529-L531 PolarHBondContact O-N 3.12Å
530C92.2Very high89.3Confident40 Ų4052.7 Ų52.727%0.2730%0.298SS..EExtended strand (participates in β ladder)trans-78.4113176.4-174.90000109.7
531L93.5Very high89Confident37 Ų3754.6 Ų54.619%0.19432%0.318CS..EExtended strand (participates in β ladder)trans-81-37.1-175.3-65.7170.9000112.7L508 L519 K528 G529 S569 P572L508-L531 HydrophobicContact CD2-CD1 3.5Å; L508-L531 VanDerWaalsContact CD2-CD1 3.5Å; L519-L531 PolarHBondContact O-N 2.78Å; K528-L531 HydrophobicContact CB-CD2 3.68Å; K528-L531 HydrophobicContact CG-CD2 4.47Å; G529-L531 PolarHBondContact O-N 3.12Å; L531-S569 WeakPolarHBondContact CD1-O 3.28Å; L531-P572 HydrophobicContact CB-CG 3.77Å; L531-P572 HydrophobicContact CD1-CG 3.88Å; L531-P572 HydrophobicContact CG-CG 4.48Å
532T94.8Very high89.1Confident31 Ų3155.1 Ų55.119%0.1932%0.32CS..EExtended strand (participates in β ladder)trans-158.5151178.9-167.60000111.4R518 L519 P572 F574R518-T532 WeakPolarHBondContact CA-O 3.25Å; L519-T532 HydrophobicContact CB-CG2 3.91Å; L519-T532 HydrophobicContact CD1-CG2 3.66Å; L519-T532 HydrophobicContact CG-CG2 3.87Å; L519-T532 PolarHBondContact N-O 3.44Å; T532-P572 WeakPolarHBondContact CB-O 3.19Å; T532-P572 HydrophobicContact CG2-CG 4.13Å; T532-P572 VanDerWaalsContact CG2-O 3.27Å; T532-P572 WeakPolarHBondContact CG2-O 3.49Å; T532-F574 HydrophobicContact CG2-CD2 3.84Å; T532-F574 HydrophobicContact CG2-CE2 3.73Å
533E95.1Very high89Confident89 Ų8957.5 Ų57.542%0.41634%0.337SS..EExtended strand (participates in β ladder)trans-122.9142.8177.1-61.6-168.6-173.100110.5L517 R518 K535L517-E533 CarbonylContact O-C 3.6Å; L517-E533 VanDerWaalsContact O-CA 3.29Å; L517-E533 WeakPolarHBondContact O-CA 3.15Å; R518-E533 HydrophobicContact CG-CG 4.33Å; R518-E533 IonicContact CZ-OE1 2.94Å; R518-E533 IonicContact NH1-OE1 2.86Å; R518-E533 PolarHBondContact NH1-OE1 3.29Å; R518-E533 IonicContact NH2-OE1 2.73Å; R518-E533 PolarHBondContact NH2-OE1 2.9Å; R518-E533 IonicContact NH2-OE2 3.22Å; R518-E533 PolarHBondContact NH2-OE2 3.15Å; E533-K535 IonicContact OE2-NZ 3.61Å
534W96.3Very high89.3Confident27 Ų2756.2 Ų56.210%0.10233%0.333CS..EExtended strand (participates in β ladder)trans-122.2138.5166.2176.197.3000110G516 L517 P536 I542 V554 Y561 L563 F574G516-W534 CarbonylContact C-O 3.59Å; G516-W534 VanDerWaalsContact CA-O 3.32Å; G516-W534 WeakPolarHBondContact CA-O 3.42Å; L517-W534 HydrophobicContact CB-CB 4.32Å; L517-W534 HydrophobicContact CB-CE3 4.46Å; L517-W534 HydrophobicContact CD1-CD2 4.37Å; L517-W534 HydrophobicContact CD1-CE3 3.8Å; L517-W534 HydrophobicContact CD1-CZ3 4.31Å; L517-W534 HydrophobicContact CG-CE3 3.84Å; L517-W534 HydrophobicContact CG-CZ3 4.38Å; L517-W534 PolarHBondContact N-O 3.11Å; L517-W534 PolarHBondContact O-N 3.12Å; W534-P536 HydrophobicContact CH2-CB 3.76Å; W534-P536 HydrophobicContact CZ3-CB 3.97Å; W534-P536 HydrophobicContact CZ3-CG 4.4Å; W534-I542 HydrophobicContact CZ3-CD1 4.23Å; W534-I542 HydrophobicContact CZ3-CG1 4.46Å; W534-V554 HydrophobicContact CH2-CG1 3.65Å; W534-V554 HydrophobicContact CH2-CG2 4.4Å; W534-V554 HydrophobicContact CZ2-CG1 4.31Å; W534-V554 HydrophobicContact CZ3-CG1 3.9Å; W534-V554 HydrophobicContact CZ3-CG2 4.11Å; W534-Y561 HydrophobicContact CH2-CD2 4.15Å; W534-Y561 HydrophobicContact CH2-CG 4.47Å; W534-Y561 HydrophobicContact CZ2-CD2 4.26Å; W534-Y561 HydrophobicContact CZ2-CG 4.19Å; W534-L563 HydrophobicContact CD2-CD1 3.7Å; W534-L563 HydrophobicContact CE3-CD1 4.15Å; W534-L563 HydrophobicContact CG-CD1 3.95Å; W534-L563 HydrophobicContact CH2-CD1 4.5Å; W534-L563 HydrophobicContact CZ2-CD1 4.12Å; W534-L563 HydrophobicContact CZ2-CD2 4.2Å; W534-F574 HydrophobicContact CB-CB 4.13Å; W534-F574 HydrophobicContact CB-CD1 4.4Å; W534-F574 HydrophobicContact CB-CD2 3.42Å; W534-F574 VanDerWaalsContact CB-CD2 3.42Å; W534-F574 HydrophobicContact CB-CE2 3.75Å; W534-F574 HydrophobicContact CB-CG 3.75Å; W534-F574 HydrophobicContact CB-CZ 4.37Å; W534-F574 HydrophobicContact CG-CB 4.43Å; W534-F574 HydrophobicContact CG-CG 4.44Å
535K94.5Very high89.8Confident130 Ų13053.1 Ų53.157%0.56531%0.31SS*.  trans-124.2138.2175-66.6-176.4179.5172.60109.1E533E533-K535 IonicContact OE2-NZ 3.61Å
536P90.9Very high90.3Very high10 Ų1053.1 Ų53.17%0.06531%0.311CS..  trans-60.3130.7-178.822.7-33.3000111.3W534 T538 G539 R540 I542W534-P536 HydrophobicContact CH2-CB 3.76Å; W534-P536 HydrophobicContact CZ3-CB 3.97Å; W534-P536 HydrophobicContact CZ3-CG 4.4Å; P536-T538 PolarHBondContact O-N 3.14Å; P536-G539 PolarHBondContact O-N 3.26Å; P536-R540 WeakPolarHBondContact CG-O 3.4Å; P536-I542 HydrophobicContact CG-CG1 4.49Å
537P92Very high90.9Very high89 Ų8952.2 Ų52.258%0.57831%0.305SS*.THydrogen-bonded Turntrans-57.8-21.1-179.4-27.835.1000115G539 Y561P537-G539 VanDerWaalsContact C-N 3.28Å; P537-G539 PolarHBondContact O-N 3.18Å; P537-Y561 HydrophobicContact CG-CE1 4.11Å
538T86.5Confident91.5Very high54 Ų5450.4 Ų50.433%0.33129%0.286SS..THydrogen-bonded Turntrans-69.5-20.7176.560.20000113.8P536 R540 S556 E559P536-T538 PolarHBondContact O-N 3.14Å; T538-R540 PolarHBondContact O-N 3.23Å; T538-R540 PolarHBondContact OG1-N 3.3Å; T538-R540 VanDerWaalsContact OG1-N 3.12Å; T538-S556 PolarHBondContact OG1-OG 3.12Å; T538-E559 HydrophobicContact CG2-CB 4.03Å; T538-E559 HydrophobicContact CG2-CG 3.52Å
539G86.8Confident91.6Very high73 Ų7349.3 Ų49.375%0.75328%0.278SS*.SBendtrans680.3-167.600000115P536 P537P536-G539 PolarHBondContact O-N 3.26Å; P537-G539 VanDerWaalsContact C-N 3.28Å; P537-G539 PolarHBondContact O-N 3.18Å
540R88.3Confident91.7Very high139 Ų13951 Ų5153%0.52529%0.285SS..SBendtrans-79.4155169.7-67.7-175.4178.1-158.34.2109.5P536 T538 S556 E585P536-R540 WeakPolarHBondContact CG-O 3.4Å; T538-R540 PolarHBondContact O-N 3.23Å; T538-R540 PolarHBondContact OG1-N 3.3Å; T538-R540 VanDerWaalsContact OG1-N 3.12Å; R540-S556 WeakPolarHBondContact CB-OG 3.46Å; R540-S556 PolarHBondContact O-OG 3.39Å; R540-S556 VanDerWaalsContact O-OG 3.13Å; R540-E585 IonicContact NH1-OE1 2.74Å; R540-E585 PolarHBondContact NH1-OE1 3.31Å
541G88.8Confident91.7Very high41 Ų4149.7 Ų49.742%0.42328%0.276SS..PPolyproline II helixtrans-61.4166.2175.500000113.5T514 S556T514-G541 CarbonylContact O-C 3.5Å; T514-G541 WeakPolarHBondContact O-CA 3.45Å; G541-S556 PolarHBondContact O-OG 3.31Å
542I92.4Very high91.8Very high10 Ų1048 Ų485%0.05127%0.266CS..PPolyproline II helixtrans-72.6129.6168-65.2-179.7000108.5T514 G516 L517 W534 P536 L545 V554T514-I542 PolarHBondContact O-N 2.94Å; T514-I542 VanDerWaalsContact O-N 3.08Å; G516-I542 VanDerWaalsContact C-CD1 3.42Å; L517-I542 HydrophobicContact CD2-CD1 3.52Å; L517-I542 HydrophobicContact CG-CD1 3.75Å; W534-I542 HydrophobicContact CZ3-CD1 4.23Å; W534-I542 HydrophobicContact CZ3-CG1 4.46Å; P536-I542 HydrophobicContact CG-CG1 4.49Å; I542-L545 HydrophobicContact CG2-CD2 3.61Å; I542-V554 HydrophobicContact CD1-CG2 4.15Å; I542-V554 HydrophobicContact CG1-CG2 4.17Å; I542-V554 HydrophobicContact CG2-CG2 3.82Å
543S88.9Confident91.9Very high50 Ų5046.5 Ų46.535%0.3526%0.257SS..  trans-94.8-51.3-178.948.60000112A555 G557S543-A555 PolarHBondContact N-O 2.8Å; S543-A555 WeakPolarHBondContact OG-CB 3.23Å; S543-A555 PolarHBondContact OG-O 3.21Å; S543-G557 PolarHBondContact OG-N 2.91Å
544C92.5Very high92Very high15 Ų1542.2 Ų42.210%0.10124%0.237CC..EExtended strand (participates in β ladder)trans-154.1163.9171.255.50000109.9A555 I589C544-A555 PolarHBondContact O-N 2.92Å; C544-I589 VanDerWaalsContact SG-CD1 3.6Å
545L95.5Very high92Very high11 Ų1141 Ų416%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-155.1167.1169.661.9140.1000110.5Y480 L510 A512 L517 I542 I552 V553 V554Y480-L545 HydrophobicContact CD1-CD1 3.49Å; Y480-L545 VanDerWaalsContact CD1-CD1 3.49Å; Y480-L545 HydrophobicContact CD1-CG 4.06Å; Y480-L545 HydrophobicContact CD2-CG 4.36Å; Y480-L545 HydrophobicContact CE1-CD1 4.02Å; Y480-L545 HydrophobicContact CG-CD1 3.83Å; Y480-L545 HydrophobicContact CG-CD2 4.43Å; Y480-L545 HydrophobicContact CG-CG 3.85Å; L510-L545 HydrophobicContact CD2-CD1 3.96Å; A512-L545 HydrophobicContact CB-CD1 4.03Å; A512-L545 HydrophobicContact CB-CD2 3.37Å; A512-L545 HydrophobicContact CB-CG 4.31Å; L517-L545 HydrophobicContact CD2-CD1 4.07Å; L517-L545 HydrophobicContact CD2-CD2 4.29Å; I542-L545 HydrophobicContact CG2-CD2 3.61Å; L545-I552 HydrophobicContact CD1-CG2 4.13Å; L545-V553 CarbonylContact C-O 3.57Å; L545-V553 WeakPolarHBondContact CA-O 3.35Å; L545-V553 VanDerWaalsContact CB-O 3.25Å; L545-V553 WeakPolarHBondContact CB-O 3.39Å; L545-V554 HydrophobicContact CB-CB 3.92Å; L545-V554 HydrophobicContact CB-CG2 4.06Å
546S95.4Very high91.9Very high12 Ų1234.8 Ų34.88%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-144.6163.5157-176.50000109.2Y480 V553 L591Y480-S546 PolarHBondContact OH-OG 2.77Å; S546-V553 PolarHBondContact N-O 3.49Å; S546-V553 PolarHBondContact O-N 3.04Å; S546-L591 VanDerWaalsContact CB-CD2 3.4Å; S546-L591 WeakPolarHBondContact O-CD2 3.4Å; S546-L591 WeakPolarHBondContact OG-CD2 3.48Å
547S94.2Very high92Very high15 Ų1534.7 Ų34.711%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-141.7154.2-178.366.40000113.3Y480 A482 T551Y480-S547 WeakPolarHBondContact CE1-OG 3.37Å; Y480-S547 PolarHBondContact OH-N 3.23Å; Y480-S547 PolarHBondContact OH-OG 3.45Å; A482-S547 WeakPolarHBondContact CB-OG 3.43Å; S547-T551 CarbonylContact C-O 3.52Å; S547-T551 WeakPolarHBondContact CA-O 3.39Å
548F90.7Very high92Very high55 Ų5532 Ų3224%0.24119%0.188CC..EExtended strand (participates in β ladder)trans-145.7121.7172.2-178.3-96.2000110.7H550 T551 L591 P593 P624F548-H550 PolarHBondContact O-N 3.49Å; F548-T551 PolarHBondContact N-O 3.01Å; F548-T551 PolarHBondContact O-N 3.21Å; F548-L591 HydrophobicContact CB-CD1 3.73Å; F548-L591 HydrophobicContact CB-CG 4.21Å; F548-P593 HydrophobicContact CD2-CG 4Å; F548-P593 HydrophobicContact CE1-CG 4.33Å; F548-P593 HydrophobicContact CE2-CG 3.53Å; F548-P593 HydrophobicContact CZ-CG 3.71Å; F548-P624 HydrophobicContact CB-CG 4.06Å; F548-P624 HydrophobicContact CD1-CG 3.68Å; F548-P624 HydrophobicContact CE1-CG 4.43Å; F548-P624 HydrophobicContact CG-CG 4.06Å
549R86.6Confident92.4Very high102 Ų10230.4 Ų30.439%0.38518%0.177SC..THydrogen-bonded Turntrans53.9-97.4-176.6-65.3-179.4176.1-175.1-2.5113.4L484 S485L484-R549 VanDerWaalsContact CA-O 3.26Å; L484-R549 WeakPolarHBondContact CA-O 3.34Å; L484-R549 WeakPolarHBondContact CB-O 3.36Å; L484-R549 WeakPolarHBondContact CD2-O 3.26Å; S485-R549 PolarHBondContact N-O 3.11Å
550H89.8Confident92.8Very high41 Ų4127 Ų2719%0.1914%0.141CC..THydrogen-bonded Turntrans-110.6-2.6179.660.7-95000112.6S485 A487 F548 K564 V565S485-H550 VanDerWaalsContact O-CB 3.28Å; S485-H550 WeakPolarHBondContact O-CB 3.48Å; A487-H550 HydrophobicContact CB-CB 4.27Å; F548-H550 PolarHBondContact O-N 3.49Å; H550-K564 WeakPolarHBondContact NE2-CE 2.99Å; H550-K564 PolarHBondContact NE2-NZ 3.39Å; H550-K564 CarbonylContact O-C 3.45Å; H550-K564 VanDerWaalsContact O-CA 3.25Å; H550-K564 WeakPolarHBondContact O-CA 3.4Å; H550-V565 PolarHBondContact O-N 3.43Å
551T93.2Very high93.2Very high13 Ų1320.9 Ų20.98%0.0812%0.119CC..EExtended strand (participates in β ladder)trans-104.7132.5-176.3-57.50000110S547 F548 V562S547-T551 CarbonylContact C-O 3.52Å; S547-T551 WeakPolarHBondContact CA-O 3.39Å; F548-T551 PolarHBondContact N-O 3.01Å; F548-T551 PolarHBondContact O-N 3.21Å; T551-V562 HydrophobicContact CG2-CG1 3.96Å
552I95.7Very high93.6Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-126.9135.3179.9-53.7164.7000107.6L484 L510 L517 L545 V562 L563 V565 F574L484-I552 HydrophobicContact CD1-CD1 3.76Å; L484-I552 HydrophobicContact CD1-CG1 4.1Å; L510-I552 HydrophobicContact CD1-CD1 4.03Å; L510-I552 HydrophobicContact CD2-CD1 4.04Å; L510-I552 HydrophobicContact CD2-CG1 4.29Å; L510-I552 HydrophobicContact CD2-CG2 4.46Å; L517-I552 HydrophobicContact CD1-CG2 4.3Å; L545-I552 HydrophobicContact CD1-CG2 4.13Å; I552-V562 WeakPolarHBondContact O-CA 3.43Å; I552-L563 HydrophobicContact CB-CB 4.33Å; I552-L563 PolarHBondContact N-O 2.81Å; I552-L563 PolarHBondContact O-N 3.49Å; I552-V565 HydrophobicContact CD1-CG2 3.96Å; I552-F574 HydrophobicContact CD1-CD1 4.13Å; I552-F574 HydrophobicContact CD1-CE1 3.6Å
553V96.7Very high93.7Very high0 Ų018.6 Ų18.60%010%0.097CC..EExtended strand (participates in β ladder)trans-119.3116.4174.6-1750000107.4L545 S546 L560 Y561 V562 I589 L591 V627 L642L545-V553 CarbonylContact C-O 3.57Å; L545-V553 WeakPolarHBondContact CA-O 3.35Å; L545-V553 VanDerWaalsContact CB-O 3.25Å; L545-V553 WeakPolarHBondContact CB-O 3.39Å; S546-V553 PolarHBondContact N-O 3.49Å; S546-V553 PolarHBondContact O-N 3.04Å; V553-L560 HydrophobicContact CG1-CD1 3.93Å; V553-L560 HydrophobicContact CG1-CD2 4.35Å; V553-L560 HydrophobicContact CG1-CG 4.1Å; V553-Y561 WeakPolarHBondContact CA-O 3.37Å; V553-V562 HydrophobicContact CG2-CG2 4.37Å; V553-I589 HydrophobicContact CB-CG2 4.12Å; V553-I589 HydrophobicContact CG1-CG2 4Å; V553-L591 HydrophobicContact CG2-CD1 4.3Å; V553-L591 HydrophobicContact CG2-CD2 4.49Å; V553-V627 HydrophobicContact CB-CG2 4.45Å; V553-V627 HydrophobicContact CG1-CG1 4.25Å; V553-V627 HydrophobicContact CG1-CG2 4.24Å; V553-V627 HydrophobicContact CG2-CG2 3.81Å; V553-L642 HydrophobicContact CG2-CD2 4.33Å
554V96.5Very high93.9Very high0 Ų019.5 Ų19.50%09%0.094CC..EExtended strand (participates in β ladder)trans-129.3134.8-17058.10000111.2W534 I542 L545 Y561 L563W534-V554 HydrophobicContact CH2-CG1 3.65Å; W534-V554 HydrophobicContact CH2-CG2 4.4Å; W534-V554 HydrophobicContact CZ2-CG1 4.31Å; W534-V554 HydrophobicContact CZ3-CG1 3.9Å; W534-V554 HydrophobicContact CZ3-CG2 4.11Å; I542-V554 HydrophobicContact CD1-CG2 4.15Å; I542-V554 HydrophobicContact CG1-CG2 4.17Å; I542-V554 HydrophobicContact CG2-CG2 3.82Å; L545-V554 HydrophobicContact CB-CB 3.92Å; L545-V554 HydrophobicContact CB-CG2 4.06Å; V554-Y561 PolarHBondContact N-O 3.06Å; V554-Y561 PolarHBondContact O-N 2.84Å; V554-L563 HydrophobicContact CG1-CD1 3.94Å; V554-L563 HydrophobicContact CG1-CG 4.2Å
555A95.4Very high93.9Very high0 Ų018.8 Ų18.80%09%0.09CC..EExtended strand (participates in β ladder)trans-105.9141.6174.800000112.8S543 C544 E559 L560 V586 I589S543-A555 PolarHBondContact N-O 2.8Å; S543-A555 WeakPolarHBondContact OG-CB 3.23Å; S543-A555 PolarHBondContact OG-O 3.21Å; C544-A555 PolarHBondContact O-N 2.92Å; A555-E559 CarbonylContact C-O 3.23Å; A555-E559 VanDerWaalsContact CA-O 3.32Å; A555-E559 WeakPolarHBondContact CA-O 3.49Å; A555-L560 HydrophobicContact CB-CD1 3.97Å; A555-V586 HydrophobicContact CB-CB 3.7Å; A555-V586 HydrophobicContact CB-CG1 4.02Å; A555-V586 HydrophobicContact CB-CG2 4.15Å; A555-I589 HydrophobicContact CB-CD1 3.77Å
556S94.1Very high93.7Very high1 Ų119.6 Ų19.61%0.00710%0.095CC..EExtended strand (participates in β ladder)trans-127.580169.4-171.60000109.4T538 R540 G541 T558 E559T538-S556 PolarHBondContact OG1-OG 3.12Å; R540-S556 WeakPolarHBondContact CB-OG 3.46Å; R540-S556 PolarHBondContact O-OG 3.39Å; R540-S556 VanDerWaalsContact O-OG 3.13Å; G541-S556 PolarHBondContact O-OG 3.31Å; S556-T558 PolarHBondContact O-N 3.44Å; S556-E559 PolarHBondContact N-O 2.96Å; S556-E559 PolarHBondContact O-N 3.49Å
557G91.4Very high93.3Very high7 Ų720.6 Ų20.67%0.07211%0.108CC..THydrogen-bonded Turntrans74.2-114.5-172.500000111.1S543 E585 V586S543-G557 PolarHBondContact OG-N 2.91Å; G557-E585 WeakPolarHBondContact O-CA 3.15Å; G557-V586 PolarHBondContact O-N 3.45Å
558T92.9Very high92.8Very high32 Ų3225.9 Ų25.920%0.19613%0.13CC..THydrogen-bonded Turntrans-80.6-18.3175.348.40000113.6S556 M582 E585S556-T558 PolarHBondContact O-N 3.44Å; T558-M582 PolarHBondContact O-N 3.26Å; T558-E585 HydrophobicContact CG2-CG 4.15Å
559E95Very high92.4Very high22 Ų2223.4 Ų23.410%0.10312%0.12CC..EExtended strand (participates in β ladder)trans-91.7119.4-171.8-51.9-48.5124.100111.3T538 A555 S556 Y561 H579 Q581T538-E559 HydrophobicContact CG2-CB 4.03Å; T538-E559 HydrophobicContact CG2-CG 3.52Å; A555-E559 CarbonylContact C-O 3.23Å; A555-E559 VanDerWaalsContact CA-O 3.32Å; A555-E559 WeakPolarHBondContact CA-O 3.49Å; S556-E559 PolarHBondContact N-O 2.96Å; S556-E559 PolarHBondContact O-N 3.49Å; E559-Y561 HydrophobicContact CB-CD2 4.46Å; E559-Y561 HydrophobicContact CB-CE2 3.57Å; E559-H579 IonicContact OE2-CD2 2.84Å; E559-H579 IonicContact OE2-CE1 3.83Å; E559-H579 PolarHBondContact OE2-CE1 3.45Å; E559-H579 IonicContact OE2-NE2 3.97Å; E559-H579 PolarHBondContact OE2-NE2 3.35Å; E559-Q581 VanDerWaalsContact OE1-CG 3.29Å; E559-Q581 WeakPolarHBondContact OE1-CG 3.3Å; E559-Q581 PolarHBondContact OE1-NE2 2.83Å; E559-Q581 WeakPolarHBondContact OE2-CB 3.48Å
560L95.4Very high92.4Very high0 Ų022.7 Ų22.70%012%0.124CC..EExtended strand (participates in β ladder)trans-105.2130.9177-164.270.2000109.8V553 A555 H579 R580 M582 I589 V629 L645V553-L560 HydrophobicContact CG1-CD1 3.93Å; V553-L560 HydrophobicContact CG1-CD2 4.35Å; V553-L560 HydrophobicContact CG1-CG 4.1Å; A555-L560 HydrophobicContact CB-CD1 3.97Å; L560-H579 CarbonylContact O-C 3.56Å; L560-H579 WeakPolarHBondContact O-CA 3.3Å; L560-H579 PolarHBondContact O-CD2 3.05Å; L560-R580 PolarHBondContact N-O 2.94Å; L560-R580 PolarHBondContact O-N 2.79Å; L560-M582 HydrophobicContact CB-CG 4.43Å; L560-I589 HydrophobicContact CD1-CD1 3.67Å; L560-I589 HydrophobicContact CD1-CG1 4.13Å; L560-V629 HydrophobicContact CD1-CG1 4.46Å; L560-L645 HydrophobicContact CB-CD1 4.23Å; L560-L645 HydrophobicContact CD2-CD1 3.99Å; L560-L645 HydrophobicContact CD2-CD2 3.86Å; L560-L645 HydrophobicContact CG-CD1 4.06Å
561Y96.6Very high92.4Very high12 Ų1225.1 Ų25.15%0.04714%0.138CC..EExtended strand (participates in β ladder)trans-124.3137.1-179.5-59.2-90.8000110.8W534 P537 V553 V554 E559 Q576 H579W534-Y561 HydrophobicContact CH2-CD2 4.15Å; W534-Y561 HydrophobicContact CH2-CG 4.47Å; W534-Y561 HydrophobicContact CZ2-CD2 4.26Å; W534-Y561 HydrophobicContact CZ2-CG 4.19Å; P537-Y561 HydrophobicContact CG-CE1 4.11Å; V553-Y561 WeakPolarHBondContact CA-O 3.37Å; V554-Y561 PolarHBondContact N-O 3.06Å; V554-Y561 PolarHBondContact O-N 2.84Å; E559-Y561 HydrophobicContact CB-CD2 4.46Å; E559-Y561 HydrophobicContact CB-CE2 3.57Å; Y561-Q576 HydrophobicContact CD1-CG 4.34Å; Y561-H579 HydrophobicContact CD1-CB 3.94Å; Y561-H579 AromaticContact CD1-CD2 3.77Å; Y561-H579 HydrophobicContact CE1-CB 4.13Å; Y561-H579 AromaticContact CE1-CD2 3.37Å; Y561-H579 WeakPolarHBondContact CE1-CD2 3.26Å; Y561-H579 AromaticContact CE1-CG 3.88Å; Y561-H579 AromaticContact CZ-CD2 3.7Å
562V96.4Very high92.3Very high2 Ų224.5 Ų24.51%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-98.9120.3164.4-176.50000108.2T551 I552 V553 V577 S578 L642 L645T551-V562 HydrophobicContact CG2-CG1 3.96Å; I552-V562 WeakPolarHBondContact O-CA 3.43Å; V553-V562 HydrophobicContact CG2-CG2 4.37Å; V562-V577 HydrophobicContact CB-CB 4.41Å; V562-V577 HydrophobicContact CG1-CB 4.2Å; V562-V577 PolarHBondContact O-N 3.38Å; V562-S578 WeakPolarHBondContact CB-OG 3.27Å; V562-S578 WeakPolarHBondContact CG2-OG 3.43Å; V562-S578 PolarHBondContact N-O 3.08Å; V562-S578 PolarHBondContact O-N 3.16Å; V562-L642 HydrophobicContact CG1-CD2 4.22Å; V562-L642 HydrophobicContact CG2-CD2 3.67Å; V562-L645 HydrophobicContact CG2-CD1 3.84Å; V562-L645 HydrophobicContact CG2-CD2 3.63Å; V562-L645 HydrophobicContact CG2-CG 3.6Å
563L95.6Very high92.2Very high0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-110.1147.3173.7-48.8177.9000109.7L517 W534 I552 V554 F574 E575 Q576L517-L563 HydrophobicContact CD1-CD1 3.6Å; W534-L563 HydrophobicContact CD2-CD1 3.7Å; W534-L563 HydrophobicContact CE3-CD1 4.15Å; W534-L563 HydrophobicContact CG-CD1 3.95Å; W534-L563 HydrophobicContact CH2-CD1 4.5Å; W534-L563 HydrophobicContact CZ2-CD1 4.12Å; W534-L563 HydrophobicContact CZ2-CD2 4.2Å; I552-L563 HydrophobicContact CB-CB 4.33Å; I552-L563 PolarHBondContact N-O 2.81Å; I552-L563 PolarHBondContact O-N 3.49Å; V554-L563 HydrophobicContact CG1-CD1 3.94Å; V554-L563 HydrophobicContact CG1-CG 4.2Å; L563-F574 HydrophobicContact CB-CD1 4.5Å; L563-F574 HydrophobicContact CD1-CD1 4.13Å; L563-E575 CarbonylContact C-O 3.58Å; L563-E575 VanDerWaalsContact CA-O 3.25Å; L563-E575 WeakPolarHBondContact CA-O 3.14Å; L563-Q576 HydrophobicContact CD2-CB 3.93Å; L563-Q576 HydrophobicContact CD2-CG 4.06Å
564K93.2Very high92.1Very high69 Ų6931.7 Ų31.730%0.317%0.166SC..EExtended strand (participates in β ladder)trans-115144.6164.1-82.3-170.8173.2-162.30111.2H550 V566 F574 E575 V577H550-K564 WeakPolarHBondContact NE2-CE 2.99Å; H550-K564 PolarHBondContact NE2-NZ 3.39Å; H550-K564 CarbonylContact O-C 3.45Å; H550-K564 VanDerWaalsContact O-CA 3.25Å; H550-K564 WeakPolarHBondContact O-CA 3.4Å; K564-V566 HydrophobicContact CB-CG1 4.12Å; K564-F574 WeakPolarHBondContact O-CA 3.34Å; K564-E575 PolarHBondContact N-O 3.11Å; K564-E575 PolarHBondContact O-N 2.88Å; K564-V577 HydrophobicContact CB-CG2 3.93Å; K564-V577 HydrophobicContact CD-CG2 3.87Å; K564-V577 HydrophobicContact CG-CG2 3.63Å
565V92.6Very high92Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-89.9114.4167.5-177.40000108.5L484 P486 A487 L508 L519 H550 I552 P572 K573 F574L484-V565 HydrophobicContact CD1-CG2 3.77Å; P486-V565 HydrophobicContact CB-CG1 4.26Å; P486-V565 HydrophobicContact CG-CG1 4.34Å; A487-V565 PolarHBondContact N-O 2.89Å; L508-V565 HydrophobicContact CD1-CG1 4.41Å; L519-V565 HydrophobicContact CD1-CB 4.37Å; L519-V565 HydrophobicContact CD1-CG1 3.56Å; L519-V565 HydrophobicContact CD1-CG2 3.86Å; L519-V565 HydrophobicContact CD2-CG2 4.41Å; H550-V565 PolarHBondContact O-N 3.43Å; I552-V565 HydrophobicContact CD1-CG2 3.96Å; V565-P572 HydrophobicContact CG1-CB 3.94Å; V565-K573 WeakPolarHBondContact CA-O 3.23Å; V565-F574 HydrophobicContact CG2-CD1 4.43Å; V565-F574 HydrophobicContact CG2-CE1 4.39Å
566V90.9Very high92Very high28 Ų2841 Ų4117%0.1721%0.209CC..EExtended strand (participates in β ladder)trans-126.3158.8-176.4-61.60000111.5A487 K564 K573 E575A487-V566 HydrophobicContact CB-CG1 4.33Å; K564-V566 HydrophobicContact CB-CG1 4.12Å; V566-K573 HydrophobicContact CG2-CB 4.34Å; V566-K573 PolarHBondContact N-O 3.41Å; V566-K573 PolarHBondContact O-N 3.34Å; V566-E575 HydrophobicContact CG1-CB 4.37Å; V566-E575 WeakPolarHBondContact CG1-OE2 3.45Å; V566-E575 HydrophobicContact CG2-CB 3.92Å
567G86.1Confident91.9Very high34 Ų3443.7 Ų43.735%0.35123%0.226SC..SBendtrans95.7-177.5-176.300000113.7P486P486-G567 WeakPolarHBondContact CB-O 3.32Å
568E84.3Confident92.1Very high125 Ų12544.3 Ų44.358%0.58423%0.228SC*.  trans-69.9149.4176.3-64.8177.7-160.800111.2N570 N571 P572E568-N570 PolarHBondContact O-N 3.2Å; E568-N570 PolarHBondContact OE2-ND2 3.17Å; E568-N570 PolarHBondContact OE2-OD1 3.12Å; E568-N571 CarbonylContact O-C 3.51Å; E568-N571 VanDerWaalsContact O-C 3.23Å; E568-N571 PolarHBondContact O-N 3.2Å; E568-P572 VanDerWaalsContact O-N 3.16Å
569S83.1Confident92.2Very high3 Ų346.8 Ų46.82%0.02124%0.238CC..THydrogen-bonded Turntrans-58-22.8177.7-58.60000113.8P486 D506 L525 L531 P572P486-S569 WeakPolarHBondContact CD-OG 3.49Å; P486-S569 WeakPolarHBondContact CG-OG 3.21Å; D506-S569 PolarHBondContact N-OG 3.3Å; D506-S569 WeakPolarHBondContact O-CB 3.37Å; D506-S569 PolarHBondContact O-OG 2.98Å; L525-S569 WeakPolarHBondContact CD1-O 3.41Å; L531-S569 WeakPolarHBondContact CD1-O 3.28Å; S569-P572 WeakPolarHBondContact O-CD 3.23Å
570N86.2Confident92.2Very high87 Ų8749.7 Ų49.747%0.46525%0.248SC..THydrogen-bonded Turntrans-78.5-15.1175.566.138.6000114.5E568E568-N570 PolarHBondContact O-N 3.2Å; E568-N570 PolarHBondContact OE2-ND2 3.17Å; E568-N570 PolarHBondContact OE2-OD1 3.12Å
571N89.8Confident92.1Very high93 Ų9356 Ų5650%0.49728%0.277SS..SBendtrans-152.954.8-174.9-171.613.3000111.4E568E568-N571 CarbonylContact O-C 3.51Å; E568-N571 VanDerWaalsContact O-C 3.23Å; E568-N571 PolarHBondContact O-N 3.2Å
572P91.3Very high91.9Very high0 Ų056.1 Ų56.10%028%0.278CS..  trans-68.7153-177.632-39.7000111.5L508 L519 L531 T532 V565 E568 S569L508-P572 HydrophobicContact CD1-CB 3.67Å; L508-P572 HydrophobicContact CD1-CG 3.65Å; L519-P572 HydrophobicContact CB-CG 4.37Å; L519-P572 HydrophobicContact CD1-CB 3.8Å; L519-P572 HydrophobicContact CD1-CG 3.99Å; L531-P572 HydrophobicContact CB-CG 3.77Å; L531-P572 HydrophobicContact CD1-CG 3.88Å; L531-P572 HydrophobicContact CG-CG 4.48Å; T532-P572 WeakPolarHBondContact CB-O 3.19Å; T532-P572 HydrophobicContact CG2-CG 4.13Å; T532-P572 VanDerWaalsContact CG2-O 3.27Å; T532-P572 WeakPolarHBondContact CG2-O 3.49Å; V565-P572 HydrophobicContact CG1-CB 3.94Å; E568-P572 VanDerWaalsContact O-N 3.16Å; S569-P572 WeakPolarHBondContact O-CD 3.23Å
573K93.1Very high91.6Very high120 Ų12059.3 Ų59.352%0.52230%0.301SS..EExtended strand (participates in β ladder)trans-134.4145.3176.1-63.5177.1-173.4169.40110.9V565 V566V565-K573 WeakPolarHBondContact CA-O 3.23Å; V566-K573 HydrophobicContact CG2-CB 4.34Å; V566-K573 PolarHBondContact N-O 3.41Å; V566-K573 PolarHBondContact O-N 3.34Å
574F94.3Very high91.3Very high31 Ų3161.7 Ų61.714%0.13631%0.312CS..EExtended strand (participates in β ladder)trans-82114.1166.8-65-77.7000109.6L510 L517 L519 T532 W534 I552 L563 K564 V565L510-F574 HydrophobicContact CD1-CE1 4.24Å; L510-F574 HydrophobicContact CD1-CZ 4.14Å; L517-F574 HydrophobicContact CB-CE1 4.24Å; L517-F574 HydrophobicContact CB-CE2 4.29Å; L517-F574 HydrophobicContact CB-CZ 3.71Å; L517-F574 HydrophobicContact CD1-CE1 4.06Å; L517-F574 HydrophobicContact CD1-CZ 4.37Å; L519-F574 HydrophobicContact CD1-CE1 4.25Å; L519-F574 HydrophobicContact CD1-CE2 4.37Å; L519-F574 HydrophobicContact CD1-CZ 4.06Å; L519-F574 HydrophobicContact CD2-CE1 4.14Å; L519-F574 HydrophobicContact CD2-CZ 3.86Å; L519-F574 HydrophobicContact CG-CE1 4.09Å; L519-F574 HydrophobicContact CG-CE2 3.99Å; L519-F574 HydrophobicContact CG-CZ 3.53Å; T532-F574 HydrophobicContact CG2-CD2 3.84Å; T532-F574 HydrophobicContact CG2-CE2 3.73Å; W534-F574 HydrophobicContact CB-CB 4.13Å; W534-F574 HydrophobicContact CB-CD1 4.4Å; W534-F574 HydrophobicContact CB-CD2 3.42Å; W534-F574 VanDerWaalsContact CB-CD2 3.42Å; W534-F574 HydrophobicContact CB-CE2 3.75Å; W534-F574 HydrophobicContact CB-CG 3.75Å; W534-F574 HydrophobicContact CB-CZ 4.37Å; W534-F574 HydrophobicContact CG-CB 4.43Å; W534-F574 HydrophobicContact CG-CG 4.44Å; I552-F574 HydrophobicContact CD1-CD1 4.13Å; I552-F574 HydrophobicContact CD1-CE1 3.6Å; L563-F574 HydrophobicContact CB-CD1 4.5Å; L563-F574 HydrophobicContact CD1-CD1 4.13Å; K564-F574 WeakPolarHBondContact O-CA 3.34Å; V565-F574 HydrophobicContact CG2-CD1 4.43Å; V565-F574 HydrophobicContact CG2-CE1 4.39Å
575E94.4Very high91.2Very high103 Ų10361.9 Ų61.948%0.48131%0.314SS..EExtended strand (participates in β ladder)trans-96.7125.6167.9-179.2-178.8-16500109.2L563 K564 V566 V577L563-E575 CarbonylContact C-O 3.58Å; L563-E575 VanDerWaalsContact CA-O 3.25Å; L563-E575 WeakPolarHBondContact CA-O 3.14Å; K564-E575 PolarHBondContact N-O 3.11Å; K564-E575 PolarHBondContact O-N 2.88Å; V566-E575 HydrophobicContact CG1-CB 4.37Å; V566-E575 WeakPolarHBondContact CG1-OE2 3.45Å; V566-E575 HydrophobicContact CG2-CB 3.92Å; E575-V577 PolarHBondContact O-N 3.43Å
576Q94.6Very high91.2Very high93 Ų9362 Ų6244%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-82.2108.7172.9-175-175.5-54.400109.5Y561 L563Y561-Q576 HydrophobicContact CD1-CG 4.34Å; L563-Q576 HydrophobicContact CD2-CB 3.93Å; L563-Q576 HydrophobicContact CD2-CG 4.06Å
577V93.8Very high91.3Very high57 Ų5761.9 Ų61.935%0.34532%0.316SS..EExtended strand (participates in β ladder)trans-79.4-43.5-178.3179.70000111.2V562 K564 E575 P643V562-V577 HydrophobicContact CB-CB 4.41Å; V562-V577 HydrophobicContact CG1-CB 4.2Å; V562-V577 PolarHBondContact O-N 3.38Å; K564-V577 HydrophobicContact CB-CG2 3.93Å; K564-V577 HydrophobicContact CD-CG2 3.87Å; K564-V577 HydrophobicContact CG-CG2 3.63Å; E575-V577 PolarHBondContact O-N 3.43Å; V577-P643 HydrophobicContact CG1-CB 3.91Å
578S95Very high91.7Very high19 Ų1960.8 Ų60.813%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-156.1166.4-177.668.20000112.2V562 P643V562-S578 WeakPolarHBondContact CB-OG 3.27Å; V562-S578 WeakPolarHBondContact CG2-OG 3.43Å; V562-S578 PolarHBondContact N-O 3.08Å; V562-S578 PolarHBondContact O-N 3.16Å; S578-P643 VanDerWaalsContact CB-O 3.31Å; S578-P643 WeakPolarHBondContact CB-O 3.4Å; S578-P643 PolarHBondContact OG-O 2.78Å
579H94.4Very high92.3Very high84 Ų8455.4 Ų55.439%0.38928%0.278SS..EExtended strand (participates in β ladder)trans-147.3144.1179.9158.9-105.2000109.4E559 L560 Y561E559-H579 IonicContact OE2-CD2 2.84Å; E559-H579 IonicContact OE2-CE1 3.83Å; E559-H579 PolarHBondContact OE2-CE1 3.45Å; E559-H579 IonicContact OE2-NE2 3.97Å; E559-H579 PolarHBondContact OE2-NE2 3.35Å; L560-H579 CarbonylContact O-C 3.56Å; L560-H579 WeakPolarHBondContact O-CA 3.3Å; L560-H579 PolarHBondContact O-CD2 3.05Å; Y561-H579 HydrophobicContact CD1-CB 3.94Å; Y561-H579 AromaticContact CD1-CD2 3.77Å; Y561-H579 HydrophobicContact CE1-CB 4.13Å; Y561-H579 AromaticContact CE1-CD2 3.37Å; Y561-H579 WeakPolarHBondContact CE1-CD2 3.26Å; Y561-H579 AromaticContact CE1-CG 3.88Å; Y561-H579 AromaticContact CZ-CD2 3.7Å
580R94.6Very high92.9Very high84 Ų8455.8 Ų55.832%0.31728%0.28SS..EExtended strand (participates in β ladder)trans-144.2135.8170.3173.3167.8-76.6-1483.7110.3L560 M582 L645 L647L560-R580 PolarHBondContact N-O 2.94Å; L560-R580 PolarHBondContact O-N 2.79Å; R580-M582 HydrophobicContact CG-SD 4.08Å; R580-L645 HydrophobicContact CB-CB 4Å; R580-L645 HydrophobicContact CB-CD1 3.91Å; R580-L645 VanDerWaalsContact CD-O 3.32Å; R580-L645 WeakPolarHBondContact CD-O 3.06Å; R580-L645 PolarHBondContact NE-O 3.1Å; R580-L645 PolarHBondContact NH1-O 3.19Å; R580-L645 PolarHBondContact NH2-O 2.89Å; R580-L647 VanDerWaalsContact NH1-CB 3.3Å
581Q94.5Very high93.3Very high132 Ų13251.7 Ų51.762%0.61726%0.258SS*.EExtended strand (participates in β ladder)trans-82.8123.1163.8-179.4163.350.700109.1E559E559-Q581 VanDerWaalsContact OE1-CG 3.29Å; E559-Q581 WeakPolarHBondContact OE1-CG 3.3Å; E559-Q581 PolarHBondContact OE1-NE2 2.83Å; E559-Q581 WeakPolarHBondContact OE2-CB 3.48Å
582M92.8Very high93.4Very high14 Ų1448.9 Ų48.97%0.06925%0.245CC..  trans-84.2160.2171.9-60.7-57.3-69.900110.5T558 L560 R580 H584 V586 V629 L631 A638 L640T558-M582 PolarHBondContact O-N 3.26Å; L560-M582 HydrophobicContact CB-CG 4.43Å; R580-M582 HydrophobicContact CG-SD 4.08Å; M582-H584 VanDerWaalsContact C-N 3.3Å; M582-H584 PolarHBondContact O-N 3.47Å; M582-V586 HydrophobicContact CB-CG2 4.25Å; M582-V586 HydrophobicContact CG-CG2 3.88Å; M582-V629 HydrophobicContact CE-CG2 4.39Å; M582-L631 HydrophobicContact CB-CD2 4.17Å; M582-L631 HydrophobicContact CE-CD1 4.12Å; M582-L631 HydrophobicContact CE-CD2 4.08Å; M582-L631 HydrophobicContact CG-CD2 4.44Å; M582-A638 HydrophobicContact CE-CB 4.21Å; M582-L640 HydrophobicContact CE-CD1 4.29Å; M582-L640 HydrophobicContact CE-CD2 4.35Å; M582-L640 HydrophobicContact SD-CD2 4.07Å
583S88.3Confident93.4Very high69 Ų6950.4 Ų50.448%0.48325%0.254SS..SBendtrans-60.7-37.7177.7450000112.9
584H89.5Confident93.3Very high50 Ų5045.1 Ų45.123%0.23123%0.231CC..SBendtrans-134.8171.8-178.4-64.4-78.3000111.2M582 H635M582-H584 VanDerWaalsContact C-N 3.3Å; M582-H584 PolarHBondContact O-N 3.47Å; H584-H635 AromaticContact CD2-CD2 3.19Å; H584-H635 PolarHBondContact CD2-CD2 2.8Å; H584-H635 AromaticContact CD2-CE1 3.87Å; H584-H635 AromaticContact CD2-CG 3.34Å; H584-H635 AromaticContact CD2-ND1 3.77Å; H584-H635 AromaticContact CD2-NE2 3.56Å; H584-H635 AromaticContact CE1-CD2 3.97Å; H584-H635 AromaticContact CE1-NE2 3.88Å; H584-H635 AromaticContact CG-CD2 3.91Å; H584-H635 AromaticContact NE2-CD2 3.3Å; H584-H635 PolarHBondContact NE2-CD2 2.96Å; H584-H635 VanDerWaalsContact NE2-CD2 3.3Å; H584-H635 AromaticContact NE2-CE1 3.55Å; H584-H635 AromaticContact NE2-CG 3.8Å; H584-H635 AromaticContact NE2-ND1 3.94Å; H584-H635 AromaticContact NE2-NE2 3.14Å; H584-H635 PolarHBondContact NE2-NE2 2.92Å; H584-H635 VanDerWaalsContact NE2-NE2 3.14Å
585E90.9Very high93Very high74 Ų7445.8 Ų45.835%0.34624%0.236SC..  trans-62.9142177.1-64-163.2149.800110.9R540 G557 T558 W632R540-E585 IonicContact NH1-OE1 2.74Å; R540-E585 PolarHBondContact NH1-OE1 3.31Å; G557-E585 WeakPolarHBondContact O-CA 3.15Å; T558-E585 HydrophobicContact CG2-CG 4.15Å; E585-W632 HydrophobicContact CB-CG 4.24Å; E585-W632 PolarHBondContact O-N 3.38Å
586V93.9Very high92.6Very high3 Ų343.8 Ų43.82%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-87.6120.2-178.1-175.20000109.1A555 G557 M582 I589 V629 L631A555-V586 HydrophobicContact CB-CB 3.7Å; A555-V586 HydrophobicContact CB-CG1 4.02Å; A555-V586 HydrophobicContact CB-CG2 4.15Å; G557-V586 PolarHBondContact O-N 3.45Å; M582-V586 HydrophobicContact CB-CG2 4.25Å; M582-V586 HydrophobicContact CG-CG2 3.88Å; V586-I589 HydrophobicContact CG1-CD1 4.31Å; V586-I589 HydrophobicContact CG1-CG1 3.84Å; V586-V629 HydrophobicContact CG1-CB 4.17Å; V586-V629 HydrophobicContact CG1-CG1 3.5Å; V586-V629 VanDerWaalsContact CG1-CG1 3.5Å; V586-L631 HydrophobicContact CG2-CD2 4.13Å
587A92.4Very high92Very high25 Ų2545 Ų4521%0.20723%0.234CC..EExtended strand (participates in β ladder)trans-84.8-41.4-177.800000112.9G630 P666A587-G630 PolarHBondContact N-O 2.81Å; A587-P666 WeakPolarHBondContact CB-O 3.46Å
588C94.3Very high91.5Very high10 Ų1048.7 Ų48.77%0.06824%0.242CC..EExtended strand (participates in β ladder)trans-154.9151.3-175.745.50000110.7V629 G630 V669C588-V629 VanDerWaalsContact O-CA 3.32Å; C588-V629 WeakPolarHBondContact O-CA 3.49Å; C588-G630 PolarHBondContact O-N 2.85Å; C588-V669 HydrophobicContact CB-CG2 4.15Å
589I96.8Very high91Very high13 Ų1347.9 Ų47.97%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-132.9139.8-177.2-64.6156.9000108.6C544 V553 A555 L560 V586 V627 A628 V629C544-I589 VanDerWaalsContact SG-CD1 3.6Å; V553-I589 HydrophobicContact CB-CG2 4.12Å; V553-I589 HydrophobicContact CG1-CG2 4Å; A555-I589 HydrophobicContact CB-CD1 3.77Å; L560-I589 HydrophobicContact CD1-CD1 3.67Å; L560-I589 HydrophobicContact CD1-CG1 4.13Å; V586-I589 HydrophobicContact CG1-CD1 4.31Å; V586-I589 HydrophobicContact CG1-CG1 3.84Å; I589-V627 HydrophobicContact CG2-CG1 4.25Å; I589-A628 CarbonylContact C-O 3.56Å; I589-A628 WeakPolarHBondContact CA-O 3.33Å; I589-V629 HydrophobicContact CB-CG1 4.19Å; I589-V629 HydrophobicContact CG1-CG1 3.46Å; I589-V629 VanDerWaalsContact CG1-CG1 3.46Å; I589-V629 HydrophobicContact CG2-CG1 4.48Å
590D96.6Very high90.5Very high10 Ų1046.1 Ų46.15%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-136.5153161.5-174.448.2000112.4T592 V627 A628 V669 I671D590-T592 PolarHBondContact OD1-N 2.89Å; D590-T592 PolarHBondContact OD1-OG1 2.78Å; D590-T592 VanDerWaalsContact OD2-CB 3.23Å; D590-T592 WeakPolarHBondContact OD2-CB 3.3Å; D590-T592 PolarHBondContact OD2-N 2.73Å; D590-T592 PolarHBondContact OD2-OG1 3.22Å; D590-T592 VanDerWaalsContact OD2-OG1 3.09Å; D590-V627 CarbonylContact O-C 3.56Å; D590-V627 WeakPolarHBondContact O-CA 3.15Å; D590-A628 PolarHBondContact N-O 3.41Å; D590-A628 PolarHBondContact O-N 2.88Å; D590-V669 HydrophobicContact CB-CG2 4.19Å; D590-I671 WeakPolarHBondContact OD2-CB 3.38Å; D590-I671 PolarHBondContact OD2-N 3.27Å
591L94Very high89.9Confident2 Ų244.1 Ų44.11%0.0123%0.23CC..  trans-141.230.9174.771153.1000111.7S546 F548 V553 P593 P624 V627S546-L591 VanDerWaalsContact CB-CD2 3.4Å; S546-L591 WeakPolarHBondContact O-CD2 3.4Å; S546-L591 WeakPolarHBondContact OG-CD2 3.48Å; F548-L591 HydrophobicContact CB-CD1 3.73Å; F548-L591 HydrophobicContact CB-CG 4.21Å; V553-L591 HydrophobicContact CG2-CD1 4.3Å; V553-L591 HydrophobicContact CG2-CD2 4.49Å; L591-P593 WeakPolarHBondContact O-CD 3.32Å; L591-P624 HydrophobicContact CB-CB 4.34Å; L591-P624 HydrophobicContact CD1-CB 4.39Å; L591-P624 HydrophobicContact CD1-CG 3.96Å; L591-P624 VanDerWaalsContact O-CB 3.27Å; L591-P624 WeakPolarHBondContact O-CB 3.25Å; L591-V627 HydrophobicContact CB-CG2 4.06Å
592T92.5Very high89Confident34 Ų3438.6 Ų38.621%0.20921%0.207CC..  trans-63.3123.8179.7-62.70000109.6D590 I671D590-T592 PolarHBondContact OD1-N 2.89Å; D590-T592 PolarHBondContact OD1-OG1 2.78Å; D590-T592 VanDerWaalsContact OD2-CB 3.23Å; D590-T592 WeakPolarHBondContact OD2-CB 3.3Å; D590-T592 PolarHBondContact OD2-N 2.73Å; D590-T592 PolarHBondContact OD2-OG1 3.22Å; D590-T592 VanDerWaalsContact OD2-OG1 3.09Å; T592-I671 VanDerWaalsContact CB-O 3.27Å; T592-I671 WeakPolarHBondContact CB-O 3.42Å; T592-I671 WeakPolarHBondContact CG2-O 3.29Å; T592-I671 WeakPolarHBondContact O-CG2 3.31Å
593P91.3Very high88.2Confident31 Ų3139.4 Ų39.420%0.20121%0.211CC..  trans-78.1154.4-176.532.8-37000112.1F548 L591 S622 P624F548-P593 HydrophobicContact CD2-CG 4Å; F548-P593 HydrophobicContact CE1-CG 4.33Å; F548-P593 HydrophobicContact CE2-CG 3.53Å; F548-P593 HydrophobicContact CZ-CG 3.71Å; L591-P593 WeakPolarHBondContact O-CD 3.32Å; P593-S622 WeakPolarHBondContact CB-O 3.23Å; P593-P624 HydrophobicContact CB-CB 4.3Å
594F90.2Very high87.5Confident9 Ų940.2 Ų40.24%0.03921%0.211CC..  trans-137.3158.5174.260.9-84.6000111.3R596 A599 S622 Y625 L626 I671 Q673 A678 I694 P696F594-R596 PolarHBondContact O-N 3.38Å; F594-A599 HydrophobicContact CD2-CB 4.26Å; F594-A599 HydrophobicContact CE2-CB 4.26Å; F594-S622 WeakPolarHBondContact O-CB 3.25Å; F594-Y625 AromaticContact CE1-CE1 3.94Å; F594-Y625 HydrophobicContact CE1-CE1 3.94Å; F594-Y625 HydrophobicContact CE2-CE1 4.24Å; F594-Y625 AromaticContact CZ-CE1 3.75Å; F594-Y625 HydrophobicContact CZ-CE1 3.75Å; F594-Y625 AromaticContact CZ-CZ 3.89Å; F594-Y625 WeakPolarHBondContact CZ-OH 3.17Å; F594-L626 HydrophobicContact CE1-CD1 4.32Å; F594-L626 HydrophobicContact CZ-CD1 4.26Å; F594-I671 HydrophobicContact CD1-CG2 3.63Å; F594-I671 HydrophobicContact CE1-CG2 4Å; F594-Q673 HydrophobicContact CB-CB 3.93Å; F594-A678 HydrophobicContact CB-CB 4.33Å; F594-A678 HydrophobicContact CD2-CB 3.44Å; F594-A678 VanDerWaalsContact CD2-CB 3.44Å; F594-A678 HydrophobicContact CE2-CB 3.66Å; F594-A678 HydrophobicContact CG-CB 3.88Å; F594-A678 HydrophobicContact CZ-CB 4.28Å; F594-I694 HydrophobicContact CE1-CD1 4.18Å; F594-I694 HydrophobicContact CZ-CB 4.45Å; F594-I694 HydrophobicContact CZ-CD1 4.35Å; F594-I694 HydrophobicContact CZ-CG2 3.89Å; F594-P696 HydrophobicContact CE2-CB 3.92Å; F594-P696 HydrophobicContact CE2-CG 4.23Å; F594-P696 HydrophobicContact CZ-CB 4.17Å
595N88.7Confident86.2Confident45 Ų4540.1 Ų40.124%0.24122%0.218CC..  trans-75.7108.2173.4-174.6-59000109.6D597 R598 A599 Q673N595-D597 PolarHBondContact OD1-N 2.76Å; N595-D597 VanDerWaalsContact OD1-N 3.16Å; N595-R598 HydrophobicContact CB-CB 4.34Å; N595-R598 HydrophobicContact CB-CG 4.43Å; N595-R598 PolarHBondContact OD1-N 3.49Å; N595-A599 PolarHBondContact O-N 2.96Å; N595-Q673 PolarHBondContact O-NE2 2.89Å
596R85.1Confident84.5Confident61 Ų6142.7 Ų42.723%0.2324%0.239CC..Hα-helixtrans-61.8-46.5-178.6-176.3175.6-167.4-139.73.9112.8F594 R598 A599 I600 P696 E698F594-R596 PolarHBondContact O-N 3.38Å; R596-R598 PolarHBondContact O-N 3.05Å; R596-A599 PolarHBondContact O-N 2.74Å; R596-A599 VanDerWaalsContact O-N 3.16Å; R596-I600 HydrophobicContact CG-CD1 3.96Å; R596-I600 HydrophobicContact CG-CG1 4.49Å; R596-I600 WeakPolarHBondContact O-CG1 3.37Å; R596-I600 PolarHBondContact O-N 2.94Å; R596-P696 HydrophobicContact CG-CB 4.07Å; R596-P696 HydrophobicContact CG-CG 4.08Å; R596-P696 VanDerWaalsContact CZ-O 3.25Å; R596-P696 PolarHBondContact NE-O 3.12Å; R596-P696 PolarHBondContact NH2-O 2.79Å; R596-E698 IonicContact CZ-OE1 3.21Å; R596-E698 IonicContact NH1-OE1 3.74Å; R596-E698 PolarHBondContact NH1-OE1 3.36Å; R596-E698 IonicContact NH2-OE1 2.65Å
597D83Confident82.3Confident118 Ų11847.4 Ų47.463%0.63127%0.272SS*.Hα-helixtrans-66.1-39.5-172.9-53.6-42.3000111.4N595 I600 A601N595-D597 PolarHBondContact OD1-N 2.76Å; N595-D597 VanDerWaalsContact OD1-N 3.16Å; D597-I600 PolarHBondContact O-N 3.07Å; D597-A601 WeakPolarHBondContact O-CB 3.48Å; D597-A601 PolarHBondContact O-N 3.39Å
598R83.8Confident79.6Confident136 Ų13649.5 Ų49.551%0.51329%0.285SS..Hα-helixtrans-62.8-43.9171.4-73.1-171.3-178.6-150.34.8112.8N595 R596 I600 A601 A602 D676N595-R598 HydrophobicContact CB-CB 4.34Å; N595-R598 HydrophobicContact CB-CG 4.43Å; N595-R598 PolarHBondContact OD1-N 3.49Å; R596-R598 PolarHBondContact O-N 3.05Å; R598-I600 VanDerWaalsContact C-N 3.34Å; R598-I600 PolarHBondContact O-N 2.9Å; R598-A601 PolarHBondContact O-N 2.72Å; R598-A602 WeakPolarHBondContact O-CB 3.23Å; R598-A602 PolarHBondContact O-N 2.89Å; R598-D676 IonicContact NH1-OD1 2.68Å; R598-D676 PolarHBondContact NH1-OD1 2.9Å
599A83Confident76.6Confident1 Ų155.9 Ų55.91%0.00832%0.318CS..Hα-helixtrans-63.3-40.1178.400000111.8F594 N595 R596 I603 A678 P696F594-A599 HydrophobicContact CD2-CB 4.26Å; F594-A599 HydrophobicContact CE2-CB 4.26Å; N595-A599 PolarHBondContact O-N 2.96Å; R596-A599 PolarHBondContact O-N 2.74Å; R596-A599 VanDerWaalsContact O-N 3.16Å; A599-I603 WeakPolarHBondContact O-CD1 3.29Å; A599-I603 WeakPolarHBondContact O-CG1 3.44Å; A599-I603 PolarHBondContact O-N 3.32Å; A599-I603 VanDerWaalsContact O-N 3.12Å; A599-A678 HydrophobicContact CB-CB 3.97Å; A599-P696 HydrophobicContact CB-CG 3.98Å
600I84.3Confident73.5Confident47 Ų4763.5 Ų63.524%0.24135%0.353CS..Hα-helixtrans-63.7-46.2172.9-64.5173.9000110.8R596 D597 R598 A602 I603 N604 P696R596-I600 HydrophobicContact CG-CD1 3.96Å; R596-I600 HydrophobicContact CG-CG1 4.49Å; R596-I600 WeakPolarHBondContact O-CG1 3.37Å; R596-I600 PolarHBondContact O-N 2.94Å; D597-I600 PolarHBondContact O-N 3.07Å; R598-I600 VanDerWaalsContact C-N 3.34Å; R598-I600 PolarHBondContact O-N 2.9Å; I600-A602 PolarHBondContact O-N 2.87Å; I600-I603 PolarHBondContact O-N 3.44Å; I600-N604 WeakPolarHBondContact CG2-ND2 3.48Å; I600-N604 WeakPolarHBondContact O-CB 3.44Å; I600-N604 VanDerWaalsContact O-CG 3.32Å; I600-N604 PolarHBondContact O-N 2.86Å; I600-N604 PolarHBondContact O-ND2 2.85Å; I600-P696 HydrophobicContact CD1-CG 4.37Å; I600-P696 HydrophobicContact CG1-CG 3.67Å
601A82.3Confident70.6Confident42 Ų4269.2 Ų69.235%0.34738%0.383SS..Hα-helixtrans-60.6-43.6178.600000112D597 R598 N604 A605D597-A601 WeakPolarHBondContact O-CB 3.48Å; D597-A601 PolarHBondContact O-N 3.39Å; R598-A601 PolarHBondContact O-N 2.72Å; A601-N604 PolarHBondContact O-N 3.47Å; A601-A605 WeakPolarHBondContact O-CB 3.32Å; A601-A605 PolarHBondContact O-N 2.9Å
602A76Confident67.5Low17 Ų1776.2 Ų76.214%0.1442%0.421CS..Hα-helixtrans-62.4-43.1177.700000112.3R598 I600 A605 V606 D676 I677R598-A602 WeakPolarHBondContact O-CB 3.23Å; R598-A602 PolarHBondContact O-N 2.89Å; I600-A602 PolarHBondContact O-N 2.87Å; A602-A605 PolarHBondContact O-N 2.74Å; A602-V606 PolarHBondContact O-N 3.48Å; A602-D676 HydrophobicContact CB-CB 4.06Å; A602-I677 HydrophobicContact CB-CG1 3.92Å
603I74.9Confident64.8Low30 Ų3079.1 Ų79.115%0.15444%0.442CS..Hα-helixtrans-64.3-42.4176.2-70.6162000111.3A599 I600 A605 V606 D695A599-I603 WeakPolarHBondContact O-CD1 3.29Å; A599-I603 WeakPolarHBondContact O-CG1 3.44Å; A599-I603 PolarHBondContact O-N 3.32Å; A599-I603 VanDerWaalsContact O-N 3.12Å; I600-I603 PolarHBondContact O-N 3.44Å; I603-A605 VanDerWaalsContact C-N 3.35Å; I603-A605 PolarHBondContact O-N 3.32Å; I603-V606 PolarHBondContact O-N 3.09Å; I603-D695 HydrophobicContact CD1-CB 3.94Å
604N72.9Confident61.7Low87 Ų8783.8 Ų83.847%0.46547%0.47SS..Hα-helixtrans-69.3-31.7179.6-70.8-25.7000112.9I600 A601 V606 S607 S608I600-N604 WeakPolarHBondContact CG2-ND2 3.48Å; I600-N604 WeakPolarHBondContact O-CB 3.44Å; I600-N604 VanDerWaalsContact O-CG 3.32Å; I600-N604 PolarHBondContact O-N 2.86Å; I600-N604 PolarHBondContact O-ND2 2.85Å; A601-N604 PolarHBondContact O-N 3.47Å; N604-V606 VanDerWaalsContact C-N 3.28Å; N604-V606 PolarHBondContact O-N 2.96Å; N604-S607 PolarHBondContact O-N 3Å; N604-S608 PolarHBondContact O-N 3.21Å; N604-S608 PolarHBondContact O-OG 2.86Å
605A64Low59Low48 Ų4888.3 Ų88.340%0.39750%0.503SS..Hα-helixtrans-63.2-31.717500000112.7A601 A602 I603 S607A601-A605 WeakPolarHBondContact O-CB 3.32Å; A601-A605 PolarHBondContact O-N 2.9Å; A602-A605 PolarHBondContact O-N 2.74Å; I603-A605 VanDerWaalsContact C-N 3.35Å; I603-A605 PolarHBondContact O-N 3.32Å; A605-S607 PolarHBondContact O-N 2.8Å
606V54.6Low56.2Low128 Ų12892.4 Ų92.478%0.77654%0.535SS*.THydrogen-bonded Turntrans-66.9-18.2173.7-179.30000112.1A602 I603 N604A602-V606 PolarHBondContact O-N 3.48Å; I603-V606 PolarHBondContact O-N 3.09Å; N604-V606 VanDerWaalsContact C-N 3.28Å; N604-V606 PolarHBondContact O-N 2.96Å
607S46.8Very low53.6Low101 Ų10194.3 Ų94.371%0.70656%0.558SS**THydrogen-bonded Turntrans-106.5-5.9-177.3-58.30000114.8N604 A605N604-S607 PolarHBondContact O-N 3Å; A605-S607 PolarHBondContact O-N 2.8Å
608S35.8Very low51.2Low69 Ų6993.8 Ų93.848%0.48356%0.559SS.*  trans-154.7123.9-178.953.90000114N604 H610N604-S608 PolarHBondContact O-N 3.21Å; N604-S608 PolarHBondContact O-OG 2.86Å; S608-H610 PolarHBondContact O-N 3.02Å
609N31.9Very low48.8Very low144 Ų14493.6 Ų93.677%0.7758%0.576SS**SBendtrans-76.139.4-175.1-83.9-2.3000114.9
610H31.8Very low46.8Very low173 Ų17398.9 Ų98.980%0.80160%0.604SS**  trans-152.8124.2169.5-89.5-66.3000111.6S608S608-H610 PolarHBondContact O-N 3.02Å
611L35.5Very low45.2Very low131 Ų131100.7 Ų100.769%0.68661%0.61SS**  trans-143.1112163.3-161.575.9000109.9S613L611-S613 PolarHBondContact O-N 3.3Å
612D30Very low44.2Very low149 Ų149100.8 Ų100.880%0.79761%0.608SS**  trans-74.4116.6165.9-75.4-42.2000108.8T614D612-T614 PolarHBondContact O-N 2.84Å
613S34.1Very low44.4Very low94 Ų94104.2 Ų104.266%0.65763%0.627SS**  trans-80.552.9-174.649.40000113.6L611L611-S613 PolarHBondContact O-N 3.3Å
614T27.6Very low44.9Very low130 Ų130103.3 Ų103.380%0.79862%0.623SS**  trans-112.474.3178.162.90000114D612D612-T614 PolarHBondContact O-N 2.84Å
615S33.2Very low45.6Very low103 Ų103101.5 Ų101.572%0.7261%0.61SS**  trans-150.197.515463.40000111.8S617S615-S617 PolarHBondContact O-N 3.19Å
616S29.8Very low47Very low131 Ų13199.5 Ų99.592%0.91659%0.592SS**  trans-68.1108.3162.255.50000109.4
617S31.1Very low48.9Very low102 Ų10293.4 Ų93.471%0.71356%0.555SS**  trans-134.4142.9168.856.80000110.9S615S615-S617 PolarHBondContact O-N 3.19Å
618T31.8Very low51.3Low106 Ų10688.6 Ų88.665%0.6552%0.522SS*.  trans-52.8155.5-171.941.50000114.2D620T618-D620 PolarHBondContact O-N 2.7Å
619P33.5Very low54.1Low133 Ų13385.4 Ų85.486%0.86450%0.499SS*.  trans-71.674173.632.1-35.7000110
620D41.1Very low57.1Low111 Ų11178.5 Ų78.559%0.59446%0.463SS*.  trans-81.6147.8-170.1-147.1-9.8000112.7T618 S622T618-D620 PolarHBondContact O-N 2.7Å; D620-S622 PolarHBondContact O-N 3.25Å
621K50.3Low60Low86 Ų8670.3 Ų70.337%0.37443%0.425SS..  trans-83.780.9-156.8-62.3148.6177.8167.60110.8E494 V623E494-K621 WeakPolarHBondContact OE2-CD 3.45Å; E494-K621 WeakPolarHBondContact OE2-CE 3.16Å; E494-K621 IonicContact OE2-NZ 2.76Å; E494-K621 PolarHBondContact OE2-NZ 2.91Å; K621-V623 PolarHBondContact O-N 3.21Å
622S62Low62.4Low44 Ų4468.8 Ų68.831%0.30841%0.41SS..  trans-56108.4177.555.30000111.6P593 F594 D620P593-S622 WeakPolarHBondContact CB-O 3.23Å; F594-S622 WeakPolarHBondContact O-CB 3.25Å; D620-S622 PolarHBondContact O-N 3.25Å
623V79.5Confident64.5Low89 Ų8966.9 Ų66.954%0.53940%0.399SS..  trans-72.1138.3166.7179.90000107.6K621 Y625K621-V623 PolarHBondContact O-N 3.21Å; V623-Y625 PolarHBondContact O-N 2.86Å
624P85.3Confident65.8Low10 Ų1062.9 Ų62.97%0.06537%0.373CS..  trans-62.8122.9179.424.3-34.2000110.9F548 L591 P593 L642F548-P624 HydrophobicContact CB-CG 4.06Å; F548-P624 HydrophobicContact CD1-CG 3.68Å; F548-P624 HydrophobicContact CE1-CG 4.43Å; F548-P624 HydrophobicContact CG-CG 4.06Å; L591-P624 HydrophobicContact CB-CB 4.34Å; L591-P624 HydrophobicContact CD1-CB 4.39Å; L591-P624 HydrophobicContact CD1-CG 3.96Å; L591-P624 VanDerWaalsContact O-CB 3.27Å; L591-P624 WeakPolarHBondContact O-CB 3.25Å; P593-P624 HydrophobicContact CB-CB 4.3Å; P624-L642 HydrophobicContact CB-CD1 4.34Å; P624-L642 WeakPolarHBondContact O-CD1 3.44Å
625Y88.2Confident67.8Low50 Ų5060.1 Ų60.120%0.19635%0.351CS..  trans-106.1-11.8176.780.7-78.4000112.3F594 V623 K641 L642 P696F594-Y625 AromaticContact CE1-CE1 3.94Å; F594-Y625 HydrophobicContact CE1-CE1 3.94Å; F594-Y625 HydrophobicContact CE2-CE1 4.24Å; F594-Y625 AromaticContact CZ-CE1 3.75Å; F594-Y625 HydrophobicContact CZ-CE1 3.75Å; F594-Y625 AromaticContact CZ-CZ 3.89Å; F594-Y625 WeakPolarHBondContact CZ-OH 3.17Å; V623-Y625 PolarHBondContact O-N 2.86Å; Y625-K641 WeakPolarHBondContact O-CA 3.26Å; Y625-L642 PolarHBondContact O-N 2.98Å; Y625-P696 WeakPolarHBondContact OH-CB 3.49Å
626L92.3Very high70.3Confident5 Ų555.3 Ų55.33%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-121152.5174.3-75.4176.2000111.6F594 L639 L640 V648 I694 V701F594-L626 HydrophobicContact CE1-CD1 4.32Å; F594-L626 HydrophobicContact CZ-CD1 4.26Å; L626-L639 HydrophobicContact CD1-CD1 4.5Å; L626-L640 CarbonylContact C-O 3.47Å; L626-L640 WeakPolarHBondContact CA-O 3.18Å; L626-V648 HydrophobicContact CD2-CG2 3.94Å; L626-I694 HydrophobicContact CD1-CG2 4.35Å; L626-V701 HydrophobicContact CD1-CG1 3.83Å; L626-V701 HydrophobicContact CD2-CG1 4.28Å
627V95.6Very high73.3Confident0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-122131.9165.4160.30000107.3V553 I589 D590 L591 V629 L639 L640 L642V553-V627 HydrophobicContact CB-CG2 4.45Å; V553-V627 HydrophobicContact CG1-CG1 4.25Å; V553-V627 HydrophobicContact CG1-CG2 4.24Å; V553-V627 HydrophobicContact CG2-CG2 3.81Å; I589-V627 HydrophobicContact CG2-CG1 4.25Å; D590-V627 CarbonylContact O-C 3.56Å; D590-V627 WeakPolarHBondContact O-CA 3.15Å; L591-V627 HydrophobicContact CB-CG2 4.06Å; V627-V629 HydrophobicContact CG1-CG1 4.35Å; V627-L639 CarbonylContact O-C 3.56Å; V627-L639 WeakPolarHBondContact O-CA 3.46Å; V627-L640 PolarHBondContact N-O 2.77Å; V627-L640 PolarHBondContact O-N 3.5Å; V627-L642 HydrophobicContact CG2-CD1 3.83Å; V627-L642 HydrophobicContact CG2-CD2 3.89Å; V627-L642 HydrophobicContact CG2-CG 3.8Å
628A96.2Very high76.3Confident1 Ų144.3 Ų44.31%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-98.4139.7166.100000109.9I589 D590 A638 L639 V669 I671 L680I589-A628 CarbonylContact C-O 3.56Å; I589-A628 WeakPolarHBondContact CA-O 3.33Å; D590-A628 PolarHBondContact N-O 3.41Å; D590-A628 PolarHBondContact O-N 2.88Å; A628-A638 WeakPolarHBondContact CA-O 3.31Å; A628-L639 HydrophobicContact CB-CD2 3.99Å; A628-V669 HydrophobicContact CB-CG2 4.48Å; A628-I671 HydrophobicContact CB-CD1 4.05Å; A628-I671 HydrophobicContact CB-CG1 4.09Å; A628-L680 HydrophobicContact CB-CD1 3.54Å
629V96.1Very high79.3Confident1 Ų139.3 Ų39.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-138.1137.9175-95.90000111.4L560 M582 V586 C588 I589 V627 L637 A638 L640L560-V629 HydrophobicContact CD1-CG1 4.46Å; M582-V629 HydrophobicContact CE-CG2 4.39Å; V586-V629 HydrophobicContact CG1-CB 4.17Å; V586-V629 HydrophobicContact CG1-CG1 3.5Å; V586-V629 VanDerWaalsContact CG1-CG1 3.5Å; C588-V629 VanDerWaalsContact O-CA 3.32Å; C588-V629 WeakPolarHBondContact O-CA 3.49Å; I589-V629 HydrophobicContact CB-CG1 4.19Å; I589-V629 HydrophobicContact CG1-CG1 3.46Å; I589-V629 VanDerWaalsContact CG1-CG1 3.46Å; I589-V629 HydrophobicContact CG2-CG1 4.48Å; V627-V629 HydrophobicContact CG1-CG1 4.35Å; V629-L637 CarbonylContact O-C 3.54Å; V629-L637 WeakPolarHBondContact O-CA 3.43Å; V629-A638 HydrophobicContact CG2-CB 3.95Å; V629-A638 WeakPolarHBondContact CG2-O 3.32Å; V629-A638 PolarHBondContact N-O 3.37Å; V629-A638 PolarHBondContact O-N 3.17Å; V629-L640 HydrophobicContact CG2-CD1 3.14Å
630G94.2Very high82.2Confident0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-96133.5167.600000111.2A587 C588A587-G630 PolarHBondContact N-O 2.81Å; C588-G630 PolarHBondContact O-N 2.85Å
631L91.9Very high84.6Confident0 Ų031.7 Ų31.70%016%0.158CC..EExtended strand (participates in β ladder)trans-107.5151.9-178.1-61.9178.8000112.2M582 V586 H635 G636 P666M582-L631 HydrophobicContact CB-CD2 4.17Å; M582-L631 HydrophobicContact CE-CD1 4.12Å; M582-L631 HydrophobicContact CE-CD2 4.08Å; M582-L631 HydrophobicContact CG-CD2 4.44Å; V586-L631 HydrophobicContact CG2-CD2 4.13Å; L631-H635 HydrophobicContact CB-CB 3.97Å; L631-H635 HydrophobicContact CD1-CB 4.14Å; L631-G636 PolarHBondContact N-O 3.12Å; L631-P666 VanDerWaalsContact O-CD 3.28Å; L631-P666 WeakPolarHBondContact O-CD 3.4Å
632W85.9Confident86.6Confident99 Ų9928.8 Ų28.838%0.37515%0.146SC..SBendtrans-72.5167.2174-77.855.4000112.6E585 G634 L665E585-W632 HydrophobicContact CB-CG 4.24Å; E585-W632 PolarHBondContact O-N 3.38Å; W632-G634 PolarHBondContact O-N 3.18Å; W632-L665 HydrophobicContact CB-CD2 4.05Å; W632-L665 HydrophobicContact CD2-CD2 4Å; W632-L665 HydrophobicContact CE3-CD1 4.25Å; W632-L665 HydrophobicContact CE3-CD2 4.07Å; W632-L665 HydrophobicContact CG-CD2 4Å; W632-L665 HydrophobicContact CZ3-CD1 4.3Å
633L74.3Confident87.8Confident109 Ų10929.8 Ų29.857%0.57115%0.151SC*.THydrogen-bonded Turntrans60.736.7168.6-60.1168.7000115.1H635L633-H635 VanDerWaalsContact C-N 3.28Å; L633-H635 PolarHBondContact O-CD2 3.44Å; L633-H635 PolarHBondContact O-N 3.42Å
634G62.1Low88.3Confident10 Ų1030.9 Ų30.910%0.10315%0.154CC..THydrogen-bonded Turntrans81.3-2.9173.600000115.7W632 G636W632-G634 PolarHBondContact O-N 3.18Å; G634-G636 PolarHBondContact O-N 2.86Å
635H70.1Confident88.7Confident73 Ų7330.4 Ų30.434%0.33815%0.151SC..  trans-71.64176.4-76.3-92000114.5H584 L631 L633H584-H635 AromaticContact CD2-CD2 3.19Å; H584-H635 PolarHBondContact CD2-CD2 2.8Å; H584-H635 AromaticContact CD2-CE1 3.87Å; H584-H635 AromaticContact CD2-CG 3.34Å; H584-H635 AromaticContact CD2-ND1 3.77Å; H584-H635 AromaticContact CD2-NE2 3.56Å; H584-H635 AromaticContact CE1-CD2 3.97Å; H584-H635 AromaticContact CE1-NE2 3.88Å; H584-H635 AromaticContact CG-CD2 3.91Å; H584-H635 AromaticContact NE2-CD2 3.3Å; H584-H635 PolarHBondContact NE2-CD2 2.96Å; H584-H635 VanDerWaalsContact NE2-CD2 3.3Å; H584-H635 AromaticContact NE2-CE1 3.55Å; H584-H635 AromaticContact NE2-CG 3.8Å; H584-H635 AromaticContact NE2-ND1 3.94Å; H584-H635 AromaticContact NE2-NE2 3.14Å; H584-H635 PolarHBondContact NE2-NE2 2.92Å; H584-H635 VanDerWaalsContact NE2-NE2 3.14Å; L631-H635 HydrophobicContact CB-CB 3.97Å; L631-H635 HydrophobicContact CD1-CB 4.14Å; L633-H635 VanDerWaalsContact C-N 3.28Å; L633-H635 PolarHBondContact O-CD2 3.44Å; L633-H635 PolarHBondContact O-N 3.42Å
636G84.6Confident88.9Confident1 Ų133 Ų331%0.0117%0.165CC..  trans69.7-132.7162.200000115.1L631 G634 E651L631-G636 PolarHBondContact N-O 3.12Å; G634-G636 PolarHBondContact O-N 2.86Å; G636-E651 WeakPolarHBondContact CA-O 3.3Å
637L93.1Very high88.9Confident2 Ų235.6 Ų35.61%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-118.8139.7-173.7-52173.3000110.3V629 E650 E651 L653 P666 V669 L680 A682 Y692V629-L637 CarbonylContact O-C 3.54Å; V629-L637 WeakPolarHBondContact O-CA 3.43Å; L637-E650 CarbonylContact O-C 3.56Å; L637-E650 WeakPolarHBondContact O-CA 3.29Å; L637-E651 HydrophobicContact CB-CB 4.33Å; L637-E651 PolarHBondContact N-O 2.81Å; L637-E651 PolarHBondContact O-N 3.08Å; L637-L653 HydrophobicContact CD1-CD1 4.47Å; L637-L653 HydrophobicContact CD2-CD1 4.09Å; L637-L653 HydrophobicContact CG-CD1 3.94Å; L637-L653 HydrophobicContact CG-CG 4.32Å; L637-P666 HydrophobicContact CD2-CG 4.38Å; L637-V669 HydrophobicContact CD2-CG1 3.78Å; L637-L680 HydrophobicContact CD1-CD2 4.06Å; L637-A682 HydrophobicContact CD1-CB 3.57Å; L637-A682 HydrophobicContact CD2-CB 3.67Å; L637-A682 HydrophobicContact CG-CB 4.23Å; L637-Y692 HydrophobicContact CD1-CD2 4.24Å; L637-Y692 HydrophobicContact CD1-CE2 3.56Å
638A93.8Very high88.8Confident1 Ų137.5 Ų37.51%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-124.3137.4174.600000111M582 A628 V629 L640 L647 H649M582-A638 HydrophobicContact CE-CB 4.21Å; A628-A638 WeakPolarHBondContact CA-O 3.31Å; V629-A638 HydrophobicContact CG2-CB 3.95Å; V629-A638 WeakPolarHBondContact CG2-O 3.32Å; V629-A638 PolarHBondContact N-O 3.37Å; V629-A638 PolarHBondContact O-N 3.17Å; A638-L640 HydrophobicContact CB-CD1 4.19Å; A638-L647 HydrophobicContact CB-CD1 3.57Å; A638-H649 WeakPolarHBondContact CA-O 3.25Å
639L94.5Very high88.6Confident0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-102.5128.4167-67.4-178.9000109.2L626 V627 A628 V648 H649 L680 V701 L703L626-L639 HydrophobicContact CD1-CD1 4.5Å; V627-L639 CarbonylContact O-C 3.56Å; V627-L639 WeakPolarHBondContact O-CA 3.46Å; A628-L639 HydrophobicContact CB-CD2 3.99Å; L639-V648 HydrophobicContact CB-CG2 3.86Å; L639-V648 VanDerWaalsContact O-CG2 3.3Å; L639-V648 WeakPolarHBondContact O-CG2 3.45Å; L639-V648 PolarHBondContact O-N 2.99Å; L639-H649 HydrophobicContact CB-CB 4.15Å; L639-H649 HydrophobicContact CD1-CB 4.25Å; L639-H649 HydrophobicContact CG-CB 4.44Å; L639-H649 PolarHBondContact N-O 3.06Å; L639-H649 PolarHBondContact O-N 3.1Å; L639-L680 HydrophobicContact CD2-CD2 4.26Å; L639-V701 HydrophobicContact CD1-CG1 4.04Å; L639-L703 HydrophobicContact CD1-CD2 3.78Å; L639-L703 HydrophobicContact CD1-CG 4.06Å; L639-L703 HydrophobicContact CG-CD2 4.49Å
640L94.9Very high88.3Confident0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-124.3141.2176.2-55.499.5000112.1M582 L626 V627 V629 A638 L645 E646 L647M582-L640 HydrophobicContact CE-CD1 4.29Å; M582-L640 HydrophobicContact CE-CD2 4.35Å; M582-L640 HydrophobicContact SD-CD2 4.07Å; L626-L640 CarbonylContact C-O 3.47Å; L626-L640 WeakPolarHBondContact CA-O 3.18Å; V627-L640 PolarHBondContact N-O 2.77Å; V627-L640 PolarHBondContact O-N 3.5Å; V629-L640 HydrophobicContact CG2-CD1 3.14Å; A638-L640 HydrophobicContact CB-CD1 4.19Å; L640-L645 HydrophobicContact CD2-CB 4.27Å; L640-L645 VanDerWaalsContact CD2-O 3.3Å; L640-L645 WeakPolarHBondContact CD2-O 3.42Å; L640-E646 CarbonylContact C-O 3.56Å; L640-E646 WeakPolarHBondContact CA-O 3.36Å; L640-L647 HydrophobicContact CD2-CB 4.22Å; L640-L647 HydrophobicContact CD2-CD1 4.48Å; L640-L647 HydrophobicContact CG-CB 4.47Å; L640-L647 HydrophobicContact CG-CD1 4.17Å
641K92.1Very high88.1Confident85 Ų8544.9 Ų44.937%0.3722%0.224SC..EExtended strand (participates in β ladder)trans-85.5127.1-179.4-158.4171-174.6171.90111.1Y625 N644 L645 E646 V648Y625-K641 WeakPolarHBondContact O-CA 3.26Å; K641-N644 PolarHBondContact O-N 2.68Å; K641-L645 WeakPolarHBondContact O-CA 3.34Å; K641-L645 PolarHBondContact O-N 2.74Å; K641-E646 HydrophobicContact CB-CB 4.3Å; K641-E646 PolarHBondContact N-O 2.82Å; K641-E646 PolarHBondContact O-N 2.81Å; K641-V648 HydrophobicContact CB-CG1 4.01Å; K641-V648 HydrophobicContact CD-CG1 4.38Å
642L91Very high87.8Confident25 Ų2549.6 Ų49.613%0.13126%0.255CS..THydrogen-bonded Turntrans-80.7152173.2-74.4174.8000111.3V553 V562 P624 Y625 V627 L645V553-L642 HydrophobicContact CG2-CD2 4.33Å; V562-L642 HydrophobicContact CG1-CD2 4.22Å; V562-L642 HydrophobicContact CG2-CD2 3.67Å; P624-L642 HydrophobicContact CB-CD1 4.34Å; P624-L642 WeakPolarHBondContact O-CD1 3.44Å; Y625-L642 PolarHBondContact O-N 2.98Å; V627-L642 HydrophobicContact CG2-CD1 3.83Å; V627-L642 HydrophobicContact CG2-CD2 3.89Å; V627-L642 HydrophobicContact CG2-CG 3.8Å; L642-L645 HydrophobicContact CD2-CD2 4.23Å
643P88.4Confident87.6Confident64 Ų6445.4 Ų45.442%0.41624%0.239SC..THydrogen-bonded Turncis-84.2-7.6-2.934.4-34000113.6V577 S578 L645V577-P643 HydrophobicContact CG1-CB 3.91Å; S578-P643 VanDerWaalsContact CB-O 3.31Å; S578-P643 WeakPolarHBondContact CB-O 3.4Å; S578-P643 PolarHBondContact OG-O 2.78Å; P643-L645 VanDerWaalsContact C-N 3.28Å; P643-L645 PolarHBondContact O-N 2.95Å
644N90.1Very high87.4Confident112 Ų11243 Ų4360%0.59923%0.23SC*.THydrogen-bonded Turntrans-76.3-9.9-165.6-59.6-11.2000114.9K641 E646K641-N644 PolarHBondContact O-N 2.68Å; N644-E646 VanDerWaalsContact C-N 3.26Å; N644-E646 PolarHBondContact O-N 3.38Å
645L92.9Very high87.5Confident0 Ų049.3 Ų49.30%026%0.257CS..THydrogen-bonded Turntrans53.141.7-165.1-62.3176.2000112.1L560 V562 R580 L640 K641 L642 P643 L647L560-L645 HydrophobicContact CB-CD1 4.23Å; L560-L645 HydrophobicContact CD2-CD1 3.99Å; L560-L645 HydrophobicContact CD2-CD2 3.86Å; L560-L645 HydrophobicContact CG-CD1 4.06Å; V562-L645 HydrophobicContact CG2-CD1 3.84Å; V562-L645 HydrophobicContact CG2-CD2 3.63Å; V562-L645 HydrophobicContact CG2-CG 3.6Å; R580-L645 HydrophobicContact CB-CB 4Å; R580-L645 HydrophobicContact CB-CD1 3.91Å; R580-L645 VanDerWaalsContact CD-O 3.32Å; R580-L645 WeakPolarHBondContact CD-O 3.06Å; R580-L645 PolarHBondContact NE-O 3.1Å; R580-L645 PolarHBondContact NH1-O 3.19Å; R580-L645 PolarHBondContact NH2-O 2.89Å; L640-L645 HydrophobicContact CD2-CB 4.27Å; L640-L645 VanDerWaalsContact CD2-O 3.3Å; L640-L645 WeakPolarHBondContact CD2-O 3.42Å; K641-L645 WeakPolarHBondContact O-CA 3.34Å; K641-L645 PolarHBondContact O-N 2.74Å; L642-L645 HydrophobicContact CD2-CD2 4.23Å; P643-L645 VanDerWaalsContact C-N 3.28Å; P643-L645 PolarHBondContact O-N 2.95Å; L645-L647 PolarHBondContact O-N 3.09Å
646E93.2Very high87.3Confident104 Ų10449.1 Ų49.149%0.48626%0.261SS..EExtended strand (participates in β ladder)trans-74.9120.1175.1-177.5176.5-168.200109.9L640 K641 N644 V648L640-E646 CarbonylContact C-O 3.56Å; L640-E646 WeakPolarHBondContact CA-O 3.36Å; K641-E646 HydrophobicContact CB-CB 4.3Å; K641-E646 PolarHBondContact N-O 2.82Å; K641-E646 PolarHBondContact O-N 2.81Å; N644-E646 VanDerWaalsContact C-N 3.26Å; N644-E646 PolarHBondContact O-N 3.38Å; E646-V648 PolarHBondContact O-N 3.11Å
647L92.2Very high86Confident60 Ų6049.7 Ų49.731%0.31426%0.264SS..EExtended strand (participates in β ladder)trans-67.4116.7176179.469000109.5R580 A638 L640 L645 H649 E650R580-L647 VanDerWaalsContact NH1-CB 3.3Å; A638-L647 HydrophobicContact CB-CD1 3.57Å; L640-L647 HydrophobicContact CD2-CB 4.22Å; L640-L647 HydrophobicContact CD2-CD1 4.48Å; L640-L647 HydrophobicContact CG-CB 4.47Å; L640-L647 HydrophobicContact CG-CD1 4.17Å; L645-L647 PolarHBondContact O-N 3.09Å; L647-H649 WeakPolarHBondContact CD1-O 3.34Å; L647-E650 HydrophobicContact CD1-CB 4.47Å; L647-E650 HydrophobicContact CD2-CB 4.5Å
648V92.4Very high84.3Confident40 Ų4055.3 Ų55.324%0.24231%0.311CS..EExtended strand (participates in β ladder)trans-105.8-30.7-178.5-67.20000113.1L626 L639 K641 E646 V701L626-V648 HydrophobicContact CD2-CG2 3.94Å; L639-V648 HydrophobicContact CB-CG2 3.86Å; L639-V648 VanDerWaalsContact O-CG2 3.3Å; L639-V648 WeakPolarHBondContact O-CG2 3.45Å; L639-V648 PolarHBondContact O-N 2.99Å; K641-V648 HydrophobicContact CB-CG1 4.01Å; K641-V648 HydrophobicContact CD-CG1 4.38Å; E646-V648 PolarHBondContact O-N 3.11Å; V648-V701 HydrophobicContact CB-CB 4.36Å; V648-V701 HydrophobicContact CG2-CB 4.05Å; V648-V701 HydrophobicContact CG2-CG1 4.07Å
649H92.1Very high82.2Confident32 Ų3260.4 Ų60.415%0.14835%0.347CS..EExtended strand (participates in β ladder)trans-145141.8176.1-168.986.6000110.1A638 L639 L647 E651A638-H649 WeakPolarHBondContact CA-O 3.25Å; L639-H649 HydrophobicContact CB-CB 4.15Å; L639-H649 HydrophobicContact CD1-CB 4.25Å; L639-H649 HydrophobicContact CG-CB 4.44Å; L639-H649 PolarHBondContact N-O 3.06Å; L639-H649 PolarHBondContact O-N 3.1Å; L647-H649 WeakPolarHBondContact CD1-O 3.34Å; H649-E651 IonicContact CD2-OE2 3.59Å; H649-E651 IonicContact CE1-OE2 2.66Å; H649-E651 IonicContact NE2-OE2 3.12Å; H649-E651 PolarHBondContact NE2-OE2 3.12Å
650E91.1Very high80.4Confident86 Ų8664.9 Ų64.940%0.40237%0.374SS..EExtended strand (participates in β ladder)trans-131.9116.4172.5-167.6172.3-17000107.5L637 L647L637-E650 CarbonylContact O-C 3.56Å; L637-E650 WeakPolarHBondContact O-CA 3.29Å; L647-E650 HydrophobicContact CD1-CB 4.47Å; L647-E650 HydrophobicContact CD2-CB 4.5Å
651E90.3Very high78.9Confident40 Ų4067.3 Ų67.319%0.18740%0.4CS..EExtended strand (participates in β ladder)trans-108109-174.9-173.565.6-153.500109.1G636 L637 H649 L653 Y692 L703G636-E651 WeakPolarHBondContact CA-O 3.3Å; L637-E651 HydrophobicContact CB-CB 4.33Å; L637-E651 PolarHBondContact N-O 2.81Å; L637-E651 PolarHBondContact O-N 3.08Å; H649-E651 IonicContact CD2-OE2 3.59Å; H649-E651 IonicContact CE1-OE2 2.66Å; H649-E651 IonicContact NE2-OE2 3.12Å; H649-E651 PolarHBondContact NE2-OE2 3.12Å; E651-L653 PolarHBondContact O-N 2.87Å; E651-Y692 HydrophobicContact CG-CD1 4.43Å; E651-Y692 HydrophobicContact CG-CE1 3.61Å; E651-L703 HydrophobicContact CB-CD1 3.9Å; E651-L703 HydrophobicContact CG-CD1 4.18Å
652P85.4Confident77.6Confident98 Ų9867 Ų6764%0.63641%0.405SS*.PPolyproline II helixtrans-70.6130.7-17828.7-33.6000110.8
653L80.2Confident76.6Confident11 Ų1168.6 Ų68.66%0.05842%0.422CS..PPolyproline II helixtrans-99.1158.6171-68.6178.8000110.2L637 E651 E655 P666 M684 Y690 Y692L637-L653 HydrophobicContact CD1-CD1 4.47Å; L637-L653 HydrophobicContact CD2-CD1 4.09Å; L637-L653 HydrophobicContact CG-CD1 3.94Å; L637-L653 HydrophobicContact CG-CG 4.32Å; E651-L653 PolarHBondContact O-N 2.87Å; L653-E655 PolarHBondContact O-N 3.22Å; L653-P666 HydrophobicContact CD1-CG 4.17Å; L653-M684 HydrophobicContact CD1-CE 3.58Å; L653-M684 HydrophobicContact CD1-SD 3.58Å; L653-M684 VanDerWaalsContact CD1-SD 3.58Å; L653-Y690 HydrophobicContact CD2-CD1 4.14Å; L653-Y690 HydrophobicContact CD2-CD2 4.27Å; L653-Y690 HydrophobicContact CD2-CE1 4.42Å; L653-Y690 HydrophobicContact CD2-CG 4.08Å; L653-Y692 VanDerWaalsContact CD2-OH 3.26Å; L653-Y692 WeakPolarHBondContact CD2-OH 3.25Å
654P71.4Confident76Confident58 Ų5865.9 Ų65.938%0.37740%0.404SS..PPolyproline II helixtrans-56.9127.2175.2-23.434000111T656 L664P654-T656 PolarHBondContact O-N 3.46Å; P654-L664 WeakPolarHBondContact O-CB 3.32Å
655E64.7Low75.8Confident144 Ų14461.9 Ų61.967%0.67338%0.382SS*.SBendtrans-59.9-34-178.6-65.6-177.2174.500112.5L653 A663 L664L653-E655 PolarHBondContact O-N 3.22Å; E655-A663 CarbonylContact O-C 3.59Å; E655-A663 VanDerWaalsContact O-CA 3.26Å; E655-A663 WeakPolarHBondContact O-CA 3.4Å; E655-L664 PolarHBondContact O-N 3.07Å
656T64.8Low75.7Confident69 Ų6962 Ų6242%0.42338%0.383SS..BIsolated β-bridgetrans-139.8154.4-174.252.50000112.7P654 G661 T662P654-T656 PolarHBondContact O-N 3.46Å; T656-G661 WeakPolarHBondContact CG2-O 3.45Å; T656-T662 VanDerWaalsContact CA-O 3.29Å; T656-T662 WeakPolarHBondContact CA-O 3.46Å
657T58.3Low75.6Confident12 Ų1262.5 Ų62.57%0.07438%0.38CS..  trans-62.4135166.846.80000110.8S659 T660 G661 T662 L664 D686T657-S659 PolarHBondContact O-N 3.22Å; T657-T660 PolarHBondContact OG1-N 2.82Å; T657-T660 PolarHBondContact OG1-OG1 3.38Å; T657-G661 WeakPolarHBondContact O-CA 3.5Å; T657-G661 PolarHBondContact O-N 3.23Å; T657-G661 PolarHBondContact OG1-N 3.41Å; T657-G661 VanDerWaalsContact OG1-N 3.13Å; T657-T662 PolarHBondContact N-O 2.79Å; T657-T662 PolarHBondContact OG1-N 3.12Å; T657-T662 VanDerWaalsContact OG1-N 3.12Å; T657-T662 PolarHBondContact OG1-O 3.01Å; T657-T662 PolarHBondContact OG1-OG1 3.41Å; T657-T662 VanDerWaalsContact OG1-OG1 3.07Å; T657-L664 HydrophobicContact CG2-CD1 3.34Å; T657-D686 HydrophobicContact CG2-CB 3.79Å
658A55.7Low75.7Confident120 Ų12060 Ų6099%0.99237%0.368SS*.THydrogen-bonded Turntrans-64.3-22.6174.700000113.4
659S51.2Low75.9Confident108 Ų10858.5 Ų58.576%0.75536%0.359SS*.THydrogen-bonded Turntrans-91.4-41.8-17750.70000114.1T657T657-S659 PolarHBondContact O-N 3.22Å
660T56.8Low76.1Confident94 Ų9457.4 Ų57.458%0.57735%0.354SS*.THydrogen-bonded Turntrans-116.5-8.3-171.953.70000114.5T657 T662T657-T660 PolarHBondContact OG1-N 2.82Å; T657-T660 PolarHBondContact OG1-OG1 3.38Å; T660-T662 PolarHBondContact O-N 3.33Å; T660-T662 PolarHBondContact OG1-OG1 2.89Å
661G62.6Low76.3Confident52 Ų5253.3 Ų53.354%0.53634%0.335SS..  trans63.915.8-177.700000114T656 T657T656-G661 WeakPolarHBondContact CG2-O 3.45Å; T657-G661 WeakPolarHBondContact O-CA 3.5Å; T657-G661 PolarHBondContact O-N 3.23Å; T657-G661 PolarHBondContact OG1-N 3.41Å; T657-G661 VanDerWaalsContact OG1-N 3.13Å
662T65.1Low76.5Confident78 Ų7851.4 Ų51.448%0.47933%0.326SS..PPolyproline II helixtrans-88.5142.1-179.747.30000110.3T656 T657 T660 L664T656-T662 VanDerWaalsContact CA-O 3.29Å; T656-T662 WeakPolarHBondContact CA-O 3.46Å; T657-T662 PolarHBondContact N-O 2.79Å; T657-T662 PolarHBondContact OG1-N 3.12Å; T657-T662 VanDerWaalsContact OG1-N 3.12Å; T657-T662 PolarHBondContact OG1-O 3.01Å; T657-T662 PolarHBondContact OG1-OG1 3.41Å; T657-T662 VanDerWaalsContact OG1-OG1 3.07Å; T660-T662 PolarHBondContact O-N 3.33Å; T660-T662 PolarHBondContact OG1-OG1 2.89Å; T662-L664 PolarHBondContact O-N 3.29Å
663A69.3Low76.9Confident59 Ų5948.4 Ų48.449%0.48830%0.303SS..BIsolated β-bridgetrans-59.3127.6-176.300000112.4E655E655-A663 CarbonylContact O-C 3.59Å; E655-A663 VanDerWaalsContact O-CA 3.26Å; E655-A663 WeakPolarHBondContact O-CA 3.4Å
664L76.6Confident77.4Confident6 Ų647.9 Ų47.93%0.03130%0.301CS..PPolyproline II helixtrans-77.3122.7173.3-120.273.1000109.1P654 E655 T657 T662 M684 D686 Y690P654-L664 WeakPolarHBondContact O-CB 3.32Å; E655-L664 PolarHBondContact O-N 3.07Å; T657-L664 HydrophobicContact CG2-CD1 3.34Å; T662-L664 PolarHBondContact O-N 3.29Å; L664-M684 HydrophobicContact CB-CE 3.78Å; L664-M684 HydrophobicContact CD2-CB 4.48Å; L664-M684 HydrophobicContact CD2-CE 3.87Å; L664-M684 HydrophobicContact CD2-CG 4.34Å; L664-M684 HydrophobicContact CG-CB 4.46Å; L664-M684 HydrophobicContact CG-CE 3.84Å; L664-D686 HydrophobicContact CD1-CB 4.07Å; L664-Y690 HydrophobicContact CD2-CE2 4.26Å
665L85.3Confident78.2Confident28 Ų2849.3 Ų49.315%0.14730%0.302CS..  trans-122.2125.2179.6-67.3173.2000109.6W632 R667 G685W632-L665 HydrophobicContact CB-CD2 4.05Å; W632-L665 HydrophobicContact CD2-CD2 4Å; W632-L665 HydrophobicContact CE3-CD1 4.25Å; W632-L665 HydrophobicContact CE3-CD2 4.07Å; W632-L665 HydrophobicContact CG-CD2 4Å; W632-L665 HydrophobicContact CZ3-CD1 4.3Å; L665-R667 PolarHBondContact O-N 3.12Å; L665-G685 PolarHBondContact O-N 2.57Å
666P90.8Very high79.1Confident2 Ų245.2 Ų45.21%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-59.2131.4168.2-21.233.4000110.1A587 L631 L637 L653 M684A587-P666 WeakPolarHBondContact CB-O 3.46Å; L631-P666 VanDerWaalsContact O-CD 3.28Å; L631-P666 WeakPolarHBondContact O-CD 3.4Å; L637-P666 HydrophobicContact CD2-CG 4.38Å; L653-P666 HydrophobicContact CD1-CG 4.17Å; P666-M684 VanDerWaalsContact CA-SD 3.58Å; P666-M684 HydrophobicContact CB-SD 4.03Å; P666-M684 HydrophobicContact CG-CE 3.94Å; P666-M684 HydrophobicContact CG-SD 3.94Å
667R91.3Very high80.3Confident116 Ų11643.3 Ų43.344%0.43827%0.272SS..EExtended strand (participates in β ladder)trans-105.6-34.1177.4-70.3-63-170.6-169.7-3.9112.4L665 A683 P715L665-R667 PolarHBondContact O-N 3.12Å; R667-A683 PolarHBondContact N-O 2.92Å; R667-P715 PolarHBondContact NE-O 3.18Å
668S94.3Very high82Confident7 Ų742.8 Ų42.85%0.04927%0.269CS..EExtended strand (participates in β ladder)trans-150140178.8-173.70000109.5A682 A683 L719S668-A682 WeakPolarHBondContact O-CA 3.49Å; S668-A683 PolarHBondContact N-O 3.06Å; S668-A683 PolarHBondContact O-N 3.49Å; S668-L719 WeakPolarHBondContact OG-CB 3.28Å; S668-L719 PolarHBondContact OG-N 2.95Å
669V96Very high83.8Confident8 Ų837.8 Ų37.85%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-123.1148.1170.2-70.90000108.6C588 D590 A628 L637 F681 A682C588-V669 HydrophobicContact CB-CG2 4.15Å; D590-V669 HydrophobicContact CB-CG2 4.19Å; A628-V669 HydrophobicContact CB-CG2 4.48Å; L637-V669 HydrophobicContact CD2-CG1 3.78Å; V669-F681 CarbonylContact C-O 3.55Å; V669-F681 VanDerWaalsContact CA-O 3.27Å; V669-F681 WeakPolarHBondContact CA-O 3.19Å; V669-A682 HydrophobicContact CG1-CB 4.12Å
670L96.9Very high86Confident9 Ų932.7 Ų32.75%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-150.5125.9178.8178.565000110.4F681 L719 Q721 V730L670-F681 PolarHBondContact N-O 3.36Å; L670-F681 PolarHBondContact O-N 3.06Å; L670-L719 HydrophobicContact CB-CB 3.91Å; L670-L719 HydrophobicContact CB-CD1 4.1Å; L670-L719 HydrophobicContact CD2-CB 4.05Å; L670-Q721 HydrophobicContact CD1-CB 4.33Å; L670-Q721 HydrophobicContact CD2-CB 4.19Å; L670-V730 HydrophobicContact CD2-CB 4.34Å; L670-V730 HydrophobicContact CD2-CG1 3.64Å; L670-V730 HydrophobicContact CD2-CG2 3.84Å
671I96.3Very high87.9Confident0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-85129.6164.8-60.7169.7000107.5D590 T592 F594 A628 Y679 L680 I694D590-I671 WeakPolarHBondContact OD2-CB 3.38Å; D590-I671 PolarHBondContact OD2-N 3.27Å; T592-I671 VanDerWaalsContact CB-O 3.27Å; T592-I671 WeakPolarHBondContact CB-O 3.42Å; T592-I671 WeakPolarHBondContact CG2-O 3.29Å; T592-I671 WeakPolarHBondContact O-CG2 3.31Å; F594-I671 HydrophobicContact CD1-CG2 3.63Å; F594-I671 HydrophobicContact CE1-CG2 4Å; A628-I671 HydrophobicContact CB-CD1 4.05Å; A628-I671 HydrophobicContact CB-CG1 4.09Å; I671-Y679 WeakPolarHBondContact CA-O 3.22Å; I671-L680 HydrophobicContact CG1-CD1 3.97Å; I671-I694 HydrophobicContact CG1-CD1 4.29Å; I671-I694 HydrophobicContact CG2-CD1 3.87Å
672A94.5Very high89.4Confident1 Ų125.8 Ų25.81%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-143.4132.8175.200000110.8Y679 F681 V730A672-Y679 PolarHBondContact N-O 3.49Å; A672-Y679 PolarHBondContact O-N 3.37Å; A672-F681 HydrophobicContact CB-CD2 4.4Å; A672-F681 HydrophobicContact CB-CE2 4.19Å; A672-V730 HydrophobicContact CB-CG2 3.63Å
673Q92.9Very high90.7Very high34 Ų3422 Ų2216%0.15911%0.113CC..EExtended strand (participates in β ladder)trans-94.9118.4168.5-168.8165.529.200109.3F594 N595 D676 I677F594-Q673 HydrophobicContact CB-CB 3.93Å; N595-Q673 PolarHBondContact O-NE2 2.89Å; Q673-D676 PolarHBondContact NE2-O 3.42Å; Q673-I677 WeakPolarHBondContact CA-O 3.47Å
674L90.7Very high91.6Very high1 Ų119.3 Ų19.31%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-115.8116.6-178.2-62.4171.9000107.3D676 I677 Y679 F681 V728 L747L674-D676 PolarHBondContact O-N 3.04Å; L674-D676 VanDerWaalsContact O-N 3.16Å; L674-I677 PolarHBondContact N-O 3.26Å; L674-I677 PolarHBondContact O-N 2.84Å; L674-Y679 HydrophobicContact CB-CD2 4.21Å; L674-Y679 HydrophobicContact CB-CE2 4.14Å; L674-Y679 HydrophobicContact CD1-CD2 4.19Å; L674-Y679 HydrophobicContact CG-CD2 4.39Å; L674-F681 HydrophobicContact CD1-CE2 4.1Å; L674-F681 HydrophobicContact CD1-CZ 3.98Å; L674-V728 HydrophobicContact CD2-CB 4.34Å; L674-V728 HydrophobicContact CD2-CG1 3.9Å; L674-V728 WeakPolarHBondContact CD2-O 3.46Å; L674-L747 HydrophobicContact CB-CD2 4.3Å; L674-L747 HydrophobicContact CD1-CD2 3.44Å; L674-L747 VanDerWaalsContact CD1-CD2 3.44Å; L674-L747 HydrophobicContact CG-CD2 4.5Å
675E87.2Confident92Very high87 Ų8720.1 Ų20.141%0.40710%0.1SC..THydrogen-bonded Turntrans52.5-112.1-163.1-68167.9133.100110.5S742 K744 N745E675-S742 WeakPolarHBondContact OE2-CB 3.31Å; E675-S742 PolarHBondContact OE2-OG 3.15Å; E675-K744 PolarHBondContact OE1-N 2.99Å; E675-K744 PolarHBondContact OE2-N 2.96Å; E675-K744 VanDerWaalsContact OE2-N 3.13Å; E675-N745 WeakPolarHBondContact CB-OD1 3.24Å; E675-N745 WeakPolarHBondContact OE2-CA 3.41Å; E675-N745 PolarHBondContact OE2-N 2.73Å
676D85.1Confident91.7Very high59 Ų5921 Ų2132%0.31611%0.105SC..THydrogen-bonded Turntrans-100.6-17.3-178.6-61.6-53.8000113.8R598 A602 Q673 L674 N745R598-D676 IonicContact NH1-OD1 2.68Å; R598-D676 PolarHBondContact NH1-OD1 2.9Å; A602-D676 HydrophobicContact CB-CB 4.06Å; Q673-D676 PolarHBondContact NE2-O 3.42Å; L674-D676 PolarHBondContact O-N 3.04Å; L674-D676 VanDerWaalsContact O-N 3.16Å; D676-N745 PolarHBondContact N-OD1 3.49Å
677I89.9Confident91.2Very high29 Ų2921 Ų2115%0.14911%0.105CC..EExtended strand (participates in β ladder)trans-91.8132.1-173.4-57.8175.1000111.2A602 Q673 L674 Y679 T693 N745A602-I677 HydrophobicContact CB-CG1 3.92Å; Q673-I677 WeakPolarHBondContact CA-O 3.47Å; L674-I677 PolarHBondContact N-O 3.26Å; L674-I677 PolarHBondContact O-N 2.84Å; I677-Y679 HydrophobicContact CB-CD2 4.4Å; I677-Y679 HydrophobicContact CB-CE2 3.63Å; I677-Y679 HydrophobicContact CG2-CD1 4.4Å; I677-Y679 HydrophobicContact CG2-CD2 4.08Å; I677-Y679 HydrophobicContact CG2-CE1 3.89Å; I677-Y679 HydrophobicContact CG2-CE2 3.52Å; I677-Y679 HydrophobicContact CG2-CG 4.49Å; I677-Y679 VanDerWaalsContact CG2-CZ 3.42Å; I677-Y679 WeakPolarHBondContact O-CD2 3.37Å; I677-T693 HydrophobicContact CG2-CG2 3.85Å; I677-N745 HydrophobicContact CD1-CB 3.84Å
678A92.8Very high90.9Very high1 Ų116.6 Ų16.61%0.0089%0.091CC..EExtended strand (participates in β ladder)trans-89.8128.1172.200000111F594 A599 I694F594-A678 HydrophobicContact CB-CB 4.33Å; F594-A678 HydrophobicContact CD2-CB 3.44Å; F594-A678 VanDerWaalsContact CD2-CB 3.44Å; F594-A678 HydrophobicContact CE2-CB 3.66Å; F594-A678 HydrophobicContact CG-CB 3.88Å; F594-A678 HydrophobicContact CZ-CB 4.28Å; A599-A678 HydrophobicContact CB-CB 3.97Å; A678-I694 HydrophobicContact CB-CB 4.35Å; A678-I694 PolarHBondContact O-N 2.71Å
679Y95.2Very high90.7Very high15 Ų1516.3 Ų16.36%0.0599%0.089CC..EExtended strand (participates in β ladder)trans-118.9147.4-179.4-64.4-84.7000111.5I671 A672 L674 I677 F681 Y692 T693 L747I671-Y679 WeakPolarHBondContact CA-O 3.22Å; A672-Y679 PolarHBondContact N-O 3.49Å; A672-Y679 PolarHBondContact O-N 3.37Å; L674-Y679 HydrophobicContact CB-CD2 4.21Å; L674-Y679 HydrophobicContact CB-CE2 4.14Å; L674-Y679 HydrophobicContact CD1-CD2 4.19Å; L674-Y679 HydrophobicContact CG-CD2 4.39Å; I677-Y679 HydrophobicContact CB-CD2 4.4Å; I677-Y679 HydrophobicContact CB-CE2 3.63Å; I677-Y679 HydrophobicContact CG2-CD1 4.4Å; I677-Y679 HydrophobicContact CG2-CD2 4.08Å; I677-Y679 HydrophobicContact CG2-CE1 3.89Å; I677-Y679 HydrophobicContact CG2-CE2 3.52Å; I677-Y679 HydrophobicContact CG2-CG 4.49Å; I677-Y679 VanDerWaalsContact CG2-CZ 3.42Å; I677-Y679 WeakPolarHBondContact O-CD2 3.37Å; Y679-F681 HydrophobicContact CG-CE2 4.25Å; Y679-F681 HydrophobicContact CG-CZ 4.27Å; Y679-Y692 CarbonylContact C-O 3.57Å; Y679-Y692 VanDerWaalsContact CA-O 3.24Å; Y679-Y692 WeakPolarHBondContact CA-O 3.41Å; Y679-T693 HydrophobicContact CD1-CG2 4.01Å; Y679-T693 HydrophobicContact CE1-CG2 3.63Å; Y679-L747 HydrophobicContact CD1-CD1 4.07Å; Y679-L747 HydrophobicContact CD2-CD2 4.31Å; Y679-L747 HydrophobicContact CE1-CD1 3.77Å; Y679-L747 HydrophobicContact CE1-CG 4.21Å; Y679-L747 HydrophobicContact CE2-CD1 4.35Å; Y679-L747 HydrophobicContact CE2-CD2 3.76Å; Y679-L747 HydrophobicContact CE2-CG 4.25Å; Y679-L747 HydrophobicContact CG-CD1 4.47Å
680L96.2Very high90.5Very high1 Ų116.8 Ų16.81%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-106122.5160.6177.865.4000108.6A628 L637 L639 I671 F691 Y692 I694 L703A628-L680 HydrophobicContact CB-CD1 3.54Å; L637-L680 HydrophobicContact CD1-CD2 4.06Å; L639-L680 HydrophobicContact CD2-CD2 4.26Å; I671-L680 HydrophobicContact CG1-CD1 3.97Å; L680-F691 CarbonylContact O-C 3.49Å; L680-F691 VanDerWaalsContact O-CA 3.24Å; L680-F691 WeakPolarHBondContact O-CA 3.4Å; L680-Y692 PolarHBondContact N-O 2.89Å; L680-Y692 PolarHBondContact O-N 2.83Å; L680-I694 HydrophobicContact CB-CD1 4.08Å; L680-I694 HydrophobicContact CB-CG1 4.03Å; L680-L703 HydrophobicContact CB-CD2 4.02Å; L680-L703 HydrophobicContact CD2-CD1 3.66Å; L680-L703 HydrophobicContact CD2-CD2 3.96Å; L680-L703 HydrophobicContact CD2-CG 4.46Å
681F96.2Very high90.3Very high0 Ų017.1 Ų17.10%09%0.091CC..EExtended strand (participates in β ladder)trans-102.5142.3171-64.9-86.7000110.3V669 L670 A672 L674 Y679 L689 F691 L719 V730 I740 L747V669-F681 CarbonylContact C-O 3.55Å; V669-F681 VanDerWaalsContact CA-O 3.27Å; V669-F681 WeakPolarHBondContact CA-O 3.19Å; L670-F681 PolarHBondContact N-O 3.36Å; L670-F681 PolarHBondContact O-N 3.06Å; A672-F681 HydrophobicContact CB-CD2 4.4Å; A672-F681 HydrophobicContact CB-CE2 4.19Å; L674-F681 HydrophobicContact CD1-CE2 4.1Å; L674-F681 HydrophobicContact CD1-CZ 3.98Å; Y679-F681 HydrophobicContact CG-CE2 4.25Å; Y679-F681 HydrophobicContact CG-CZ 4.27Å; F681-L689 HydrophobicContact CB-CD1 4.34Å; F681-L689 HydrophobicContact CD1-CD1 4.44Å; F681-L689 HydrophobicContact CD1-CD2 4.36Å; F681-F691 HydrophobicContact CD1-CB 3.5Å; F681-F691 VanDerWaalsContact CD1-CB 3.5Å; F681-F691 HydrophobicContact CD1-CG 4.31Å; F681-F691 HydrophobicContact CE1-CB 3.67Å; F681-F691 HydrophobicContact CE1-CD2 4.5Å; F681-F691 HydrophobicContact CE1-CG 4.08Å; F681-F691 HydrophobicContact CG-CB 4.29Å; F681-L719 HydrophobicContact CB-CD1 3.71Å; F681-V730 HydrophobicContact CE2-CG2 4.31Å; F681-I740 HydrophobicContact CD1-CD1 3.85Å; F681-I740 HydrophobicContact CE1-CD1 3.61Å; F681-I740 HydrophobicContact CE1-CG2 4.27Å; F681-I740 HydrophobicContact CZ-CD1 4.26Å; F681-I740 HydrophobicContact CZ-CG2 4.23Å; F681-L747 HydrophobicContact CE1-CD1 4.2Å; F681-L747 HydrophobicContact CZ-CD1 3.97Å
682A94.2Very high90.2Very high0 Ų017.4 Ų17.40%09%0.092CC..EExtended strand (participates in β ladder)trans-139.7110.7176.500000110.7L637 S668 V669 Y690L637-A682 HydrophobicContact CD1-CB 3.57Å; L637-A682 HydrophobicContact CD2-CB 3.67Å; L637-A682 HydrophobicContact CG-CB 4.23Å; S668-A682 WeakPolarHBondContact O-CA 3.49Å; V669-A682 HydrophobicContact CG1-CB 4.12Å; A682-Y690 PolarHBondContact N-O 3.4Å; A682-Y690 PolarHBondContact O-N 3.15Å
683A92.7Very high90.1Very high0 Ų018.2 Ų18.20%010%0.097CC..EExtended strand (participates in β ladder)trans-91.8132177.700000110.8R667 S668 L689 M717 L719R667-A683 PolarHBondContact N-O 2.92Å; S668-A683 PolarHBondContact N-O 3.06Å; S668-A683 PolarHBondContact O-N 3.49Å; A683-L689 HydrophobicContact CB-CD1 4.14Å; A683-M717 HydrophobicContact CB-CB 3.81Å; A683-M717 HydrophobicContact CB-CE 3.97Å; A683-M717 HydrophobicContact CB-SD 4.07Å; A683-L719 HydrophobicContact CB-CD1 4.02Å; A683-L719 HydrophobicContact CB-CD2 4.2Å; A683-L719 HydrophobicContact CB-CG 3.94Å
684M88.7Confident90.2Very high1 Ų116.7 Ų16.71%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-107.8152.6-172-58.2-56.8-73.100112L653 L664 P666 D686 G687 T688 Y690L653-M684 HydrophobicContact CD1-CE 3.58Å; L653-M684 HydrophobicContact CD1-SD 3.58Å; L653-M684 VanDerWaalsContact CD1-SD 3.58Å; L664-M684 HydrophobicContact CB-CE 3.78Å; L664-M684 HydrophobicContact CD2-CB 4.48Å; L664-M684 HydrophobicContact CD2-CE 3.87Å; L664-M684 HydrophobicContact CD2-CG 4.34Å; L664-M684 HydrophobicContact CG-CB 4.46Å; L664-M684 HydrophobicContact CG-CE 3.84Å; P666-M684 VanDerWaalsContact CA-SD 3.58Å; P666-M684 HydrophobicContact CB-SD 4.03Å; P666-M684 HydrophobicContact CG-CE 3.94Å; P666-M684 HydrophobicContact CG-SD 3.94Å; M684-D686 WeakPolarHBondContact CB-OD1 3.46Å; M684-D686 PolarHBondContact O-N 2.72Å; M684-G687 PolarHBondContact O-N 3.33Å; M684-G687 VanDerWaalsContact O-N 3.12Å; M684-T688 VanDerWaalsContact CB-O 3.29Å; M684-T688 WeakPolarHBondContact CB-O 3.28Å; M684-T688 WeakPolarHBondContact CG-O 3.4Å; M684-T688 PolarHBondContact N-O 3.29Å; M684-Y690 HydrophobicContact CG-CD2 3.66Å; M684-Y690 HydrophobicContact CG-CE2 3.84Å
685G84.5Confident90.2Very high23 Ų2317.1 Ų17.124%0.2379%0.092CC..THydrogen-bonded Turntrans-68.64-178.600000116.5L665 P715L665-G685 PolarHBondContact O-N 2.57Å; G685-P715 WeakPolarHBondContact O-CA 3.48Å
686D80Confident90.1Very high48 Ų4813 Ų1326%0.2577%0.073SC..THydrogen-bonded Turntrans-101.2-7.7172.969.9-29.9000113.2T657 L664 M684 T688T657-D686 HydrophobicContact CG2-CB 3.79Å; L664-D686 HydrophobicContact CD1-CB 4.07Å; M684-D686 WeakPolarHBondContact CB-OD1 3.46Å; M684-D686 PolarHBondContact O-N 2.72Å; D686-T688 VanDerWaalsContact CG-OG1 3.32Å; D686-T688 VanDerWaalsContact OD1-CB 3.31Å; D686-T688 WeakPolarHBondContact OD1-CB 3.37Å; D686-T688 PolarHBondContact OD1-N 3.29Å; D686-T688 PolarHBondContact OD1-OG1 2.93Å; D686-T688 PolarHBondContact OD2-OG1 2.97Å
687G80.2Confident90Very high1 Ų112 Ų121%0.017%0.07CC..SBendtrans102.4-7.6-171.900000114.9M684 A711 G712 M717M684-G687 PolarHBondContact O-N 3.33Å; M684-G687 VanDerWaalsContact O-N 3.12Å; G687-A711 CarbonylContact O-C 3.58Å; G687-A711 PolarHBondContact O-N 2.92Å; G687-G712 VanDerWaalsContact CA-C 3.49Å; G687-G712 WeakPolarHBondContact CA-O 3.36Å; G687-G712 PolarHBondContact O-N 3.05Å; G687-M717 VanDerWaalsContact C-SD 3.57Å; G687-M717 WeakPolarHBondContact CA-SD 3.47Å
688T85Confident88.9Confident24 Ų2417.7 Ų17.715%0.14710%0.097CC..EExtended strand (participates in β ladder)trans-79.3131.3-179.5-55.60000111.2M684 D686 Y690 R708M684-T688 VanDerWaalsContact CB-O 3.29Å; M684-T688 WeakPolarHBondContact CB-O 3.28Å; M684-T688 WeakPolarHBondContact CG-O 3.4Å; M684-T688 PolarHBondContact N-O 3.29Å; D686-T688 VanDerWaalsContact CG-OG1 3.32Å; D686-T688 VanDerWaalsContact OD1-CB 3.31Å; D686-T688 WeakPolarHBondContact OD1-CB 3.37Å; D686-T688 PolarHBondContact OD1-N 3.29Å; D686-T688 PolarHBondContact OD1-OG1 2.93Å; D686-T688 PolarHBondContact OD2-OG1 2.97Å; T688-Y690 HydrophobicContact CG2-CD2 3.79Å; T688-Y690 HydrophobicContact CG2-CE2 3.34Å; T688-R708 HydrophobicContact CG2-CB 4.09Å
689L89.9Confident87.9Confident0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-102.4116167.7179.466.4000109.6F681 A683 R708 V709 A711 L719 V732 I740 F749F681-L689 HydrophobicContact CB-CD1 4.34Å; F681-L689 HydrophobicContact CD1-CD1 4.44Å; F681-L689 HydrophobicContact CD1-CD2 4.36Å; A683-L689 HydrophobicContact CB-CD1 4.14Å; L689-R708 CarbonylContact O-C 3.59Å; L689-R708 VanDerWaalsContact O-CA 3.26Å; L689-R708 WeakPolarHBondContact O-CA 3.41Å; L689-V709 PolarHBondContact N-O 2.77Å; L689-V709 PolarHBondContact O-N 3.25Å; L689-A711 HydrophobicContact CB-CB 3.97Å; L689-L719 HydrophobicContact CD1-CD1 4.2Å; L689-L719 HydrophobicContact CD1-CD2 3.99Å; L689-V732 HydrophobicContact CD2-CG2 4.17Å; L689-I740 HydrophobicContact CD2-CD1 3.63Å; L689-F749 HydrophobicContact CD2-CE1 3.93Å
690Y90.9Very high87.2Confident19 Ų1930.9 Ų30.98%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-91.8146.1167.7-70.5-95000110.1L653 L664 A682 M684 T688 K707 R708L653-Y690 HydrophobicContact CD2-CD1 4.14Å; L653-Y690 HydrophobicContact CD2-CD2 4.27Å; L653-Y690 HydrophobicContact CD2-CE1 4.42Å; L653-Y690 HydrophobicContact CD2-CG 4.08Å; L664-Y690 HydrophobicContact CD2-CE2 4.26Å; A682-Y690 PolarHBondContact N-O 3.4Å; A682-Y690 PolarHBondContact O-N 3.15Å; M684-Y690 HydrophobicContact CG-CD2 3.66Å; M684-Y690 HydrophobicContact CG-CE2 3.84Å; T688-Y690 HydrophobicContact CG2-CD2 3.79Å; T688-Y690 HydrophobicContact CG2-CE2 3.34Å; Y690-K707 CarbonylContact C-O 3.59Å; Y690-K707 WeakPolarHBondContact CA-O 3.33Å; Y690-R708 HydrophobicContact CD1-CB 3.83Å; Y690-R708 HydrophobicContact CE1-CB 3.79Å; Y690-R708 HydrophobicContact CE1-CG 4.46Å; Y690-R708 HydrophobicContact CG-CB 4.34Å
691F93.5Very high86.8Confident16 Ų1631.3 Ų31.37%0.0717%0.166CC..EExtended strand (participates in β ladder)trans-147.7150.1171.464.5-82.6000112.6L680 F681 K707 V709 L747 F749L680-F691 CarbonylContact O-C 3.49Å; L680-F691 VanDerWaalsContact O-CA 3.24Å; L680-F691 WeakPolarHBondContact O-CA 3.4Å; F681-F691 HydrophobicContact CD1-CB 3.5Å; F681-F691 VanDerWaalsContact CD1-CB 3.5Å; F681-F691 HydrophobicContact CD1-CG 4.31Å; F681-F691 HydrophobicContact CE1-CB 3.67Å; F681-F691 HydrophobicContact CE1-CD2 4.5Å; F681-F691 HydrophobicContact CE1-CG 4.08Å; F681-F691 HydrophobicContact CG-CB 4.29Å; F691-K707 HydrophobicContact CD1-CB 4.04Å; F691-K707 HydrophobicContact CD2-CB 4.04Å; F691-K707 HydrophobicContact CD2-CD 4.48Å; F691-K707 HydrophobicContact CE1-CB 3.58Å; F691-K707 HydrophobicContact CE2-CB 3.59Å; F691-K707 HydrophobicContact CE2-CD 3.56Å; F691-K707 HydrophobicContact CE2-CG 4.19Å; F691-K707 HydrophobicContact CG-CB 4.26Å; F691-K707 HydrophobicContact CZ-CB 3.35Å; F691-K707 HydrophobicContact CZ-CD 3.75Å; F691-K707 HydrophobicContact CZ-CG 4.15Å; F691-K707 PolarHBondContact N-O 2.91Å; F691-K707 PolarHBondContact O-N 2.88Å; F691-V709 HydrophobicContact CE1-CG2 4.01Å; F691-L747 HydrophobicContact CD2-CD1 3.83Å; F691-L747 HydrophobicContact CE2-CD1 3.73Å; F691-F749 HydrophobicContact CD1-CZ 4.13Å; F691-F749 HydrophobicContact CE1-CE1 4.42Å; F691-F749 HydrophobicContact CE1-CE2 4.25Å; F691-F749 AromaticContact CE1-CZ 3.57Å; F691-F749 HydrophobicContact CE1-CZ 3.57Å; F691-F749 HydrophobicContact CE2-CZ 4.48Å; F691-F749 HydrophobicContact CZ-CE2 4.1Å; F691-F749 AromaticContact CZ-CZ 3.76Å; F691-F749 HydrophobicContact CZ-CZ 3.76Å
692Y94.3Very high86.6Confident6 Ų632.2 Ų32.22%0.02417%0.172CC..EExtended strand (participates in β ladder)trans-140148.1-171.4-54-99.9000109.2L637 E651 L653 Y679 L680 L703 R704 P706L637-Y692 HydrophobicContact CD1-CD2 4.24Å; L637-Y692 HydrophobicContact CD1-CE2 3.56Å; E651-Y692 HydrophobicContact CG-CD1 4.43Å; E651-Y692 HydrophobicContact CG-CE1 3.61Å; L653-Y692 VanDerWaalsContact CD2-OH 3.26Å; L653-Y692 WeakPolarHBondContact CD2-OH 3.25Å; Y679-Y692 CarbonylContact C-O 3.57Å; Y679-Y692 VanDerWaalsContact CA-O 3.24Å; Y679-Y692 WeakPolarHBondContact CA-O 3.41Å; L680-Y692 PolarHBondContact N-O 2.89Å; L680-Y692 PolarHBondContact O-N 2.83Å; Y692-L703 HydrophobicContact CD1-CB 3.93Å; Y692-L703 HydrophobicContact CD1-CD1 4.22Å; Y692-L703 HydrophobicContact CD2-CD1 4.21Å; Y692-L703 HydrophobicContact CG-CB 4.11Å; Y692-L703 HydrophobicContact CG-CD1 4.01Å; Y692-L703 HydrophobicContact CG-CG 4.46Å; Y692-R704 CarbonylContact C-O 3.57Å; Y692-R704 WeakPolarHBondContact CA-O 3.36Å; Y692-R704 WeakPolarHBondContact CB-O 3.16Å; Y692-P706 HydrophobicContact CD1-CB 3.84Å; Y692-P706 HydrophobicContact CE1-CB 3.57Å
693T92.9Very high86.5Confident18 Ų1833 Ų3311%0.1118%0.176CC..EExtended strand (participates in β ladder)trans-79.1134.4163.346.90000108.9I677 Y679 R704 D705I677-T693 HydrophobicContact CG2-CG2 3.85Å; Y679-T693 HydrophobicContact CD1-CG2 4.01Å; Y679-T693 HydrophobicContact CE1-CG2 3.63Å; T693-R704 PolarHBondContact N-O 2.96Å; T693-R704 PolarHBondContact O-N 3.24Å; T693-R704 VanDerWaalsContact OG1-C 3.32Å; T693-R704 VanDerWaalsContact OG1-CB 3.32Å; T693-R704 WeakPolarHBondContact OG1-CB 3.34Å; T693-R704 PolarHBondContact OG1-O 2.94Å; T693-D705 PolarHBondContact OG1-OD2 3Å
694I93.5Very high86.2Confident1 Ų138 Ų381%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-90.3117.3175.8-54.4173.7000107.7F594 L626 I671 A678 L680 P696 L703F594-I694 HydrophobicContact CE1-CD1 4.18Å; F594-I694 HydrophobicContact CZ-CB 4.45Å; F594-I694 HydrophobicContact CZ-CD1 4.35Å; F594-I694 HydrophobicContact CZ-CG2 3.89Å; L626-I694 HydrophobicContact CD1-CG2 4.35Å; I671-I694 HydrophobicContact CG1-CD1 4.29Å; I671-I694 HydrophobicContact CG2-CD1 3.87Å; A678-I694 HydrophobicContact CB-CB 4.35Å; A678-I694 PolarHBondContact O-N 2.71Å; L680-I694 HydrophobicContact CB-CD1 4.08Å; L680-I694 HydrophobicContact CB-CG1 4.03Å; I694-P696 WeakPolarHBondContact O-CD 3.39Å; I694-L703 HydrophobicContact CG1-CD2 3.98Å
695D90.9Very high86Confident10 Ų1042.4 Ų42.45%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-87.1116.4164.2-173.7-40.2000109I603 S697 V701 C702 R704I603-D695 HydrophobicContact CD1-CB 3.94Å; D695-S697 WeakPolarHBondContact OD1-CB 3.36Å; D695-S697 PolarHBondContact OD1-N 2.84Å; D695-S697 PolarHBondContact OD1-OG 3.38Å; D695-V701 WeakPolarHBondContact O-CA 3.28Å; D695-C702 PolarHBondContact N-O 2.93Å; D695-C702 PolarHBondContact O-N 3.12Å; D695-R704 IonicContact OD2-CZ 3.47Å; D695-R704 IonicContact OD2-NE 2.88Å; D695-R704 IonicContact OD2-NH1 2.68Å; D695-R704 PolarHBondContact OD2-NH1 2.84Å; D695-R704 IonicContact OD2-NH2 3.93Å; D695-R704 PolarHBondContact OD2-NH2 3.05Å
696P86.1Confident86Confident0 Ų045.6 Ų45.60%024%0.236CC..  trans-102.721.5-17643.6-38.2000113.1F594 R596 A599 I600 Y625 I694F594-P696 HydrophobicContact CE2-CB 3.92Å; F594-P696 HydrophobicContact CE2-CG 4.23Å; F594-P696 HydrophobicContact CZ-CB 4.17Å; R596-P696 HydrophobicContact CG-CB 4.07Å; R596-P696 HydrophobicContact CG-CG 4.08Å; R596-P696 VanDerWaalsContact CZ-O 3.25Å; R596-P696 PolarHBondContact NE-O 3.12Å; R596-P696 PolarHBondContact NH2-O 2.79Å; A599-P696 HydrophobicContact CB-CG 3.98Å; I600-P696 HydrophobicContact CD1-CG 4.37Å; I600-P696 HydrophobicContact CG1-CG 3.67Å; Y625-P696 WeakPolarHBondContact OH-CB 3.49Å; I694-P696 WeakPolarHBondContact O-CD 3.39Å
697S82.2Confident86.3Confident38 Ų3849 Ų4927%0.26625%0.248SC..  trans-56.2155.1179.852.40000113.2D695 D699 H700D695-S697 WeakPolarHBondContact OD1-CB 3.36Å; D695-S697 PolarHBondContact OD1-N 2.84Å; D695-S697 PolarHBondContact OD1-OG 3.38Å; S697-D699 PolarHBondContact O-N 3.28Å; S697-H700 PolarHBondContact OG-O 2.71Å
698E67.1Low86.5Confident150 Ų15057.1 Ų57.170%0.70128%0.278SS*.SBendtrans-67.5-36-169.4-83-166.1169.900114.8R596R596-E698 IonicContact CZ-OE1 3.21Å; R596-E698 IonicContact NH1-OE1 3.74Å; R596-E698 PolarHBondContact NH1-OE1 3.36Å; R596-E698 IonicContact NH2-OE1 2.65Å
699D71.5Confident86.1Confident162 Ų16258.4 Ų58.487%0.86629%0.286SS*.SBendtrans-87.3-25.3-174-63-41.6000113.4S697S697-D699 PolarHBondContact O-N 3.28Å
700H80.7Confident85.6Confident131 Ų13162.2 Ų62.261%0.60631%0.312SS*.  trans-15689.9-176.5-143.360.1000113.2S697 C702S697-H700 PolarHBondContact OG-O 2.71Å; H700-C702 PolarHBondContact O-N 3.49Å
701V88.6Confident85Confident10 Ų1061.6 Ų61.66%0.06131%0.311CS..  trans-68.9120170177.20000108.9L626 L639 V648 D695L626-V701 HydrophobicContact CD1-CG1 3.83Å; L626-V701 HydrophobicContact CD2-CG1 4.28Å; L639-V701 HydrophobicContact CD1-CG1 4.04Å; V648-V701 HydrophobicContact CB-CB 4.36Å; V648-V701 HydrophobicContact CG2-CB 4.05Å; V648-V701 HydrophobicContact CG2-CG1 4.07Å; D695-V701 WeakPolarHBondContact O-CA 3.28Å
702C91.1Very high84.2Confident18 Ų1860.9 Ų60.912%0.12231%0.309CS..EExtended strand (participates in β ladder)trans-143.7159.9-178.863.20000112.4D695 H700D695-C702 PolarHBondContact N-O 2.93Å; D695-C702 PolarHBondContact O-N 3.12Å; H700-C702 PolarHBondContact O-N 3.49Å
703L91.6Very high83.2Confident16 Ų1665.3 Ų65.38%0.08434%0.336CS..EExtended strand (participates in β ladder)trans-87.2141167.4-63.1-179.4000110.5L639 E651 L680 Y692 I694L639-L703 HydrophobicContact CD1-CD2 3.78Å; L639-L703 HydrophobicContact CD1-CG 4.06Å; L639-L703 HydrophobicContact CG-CD2 4.49Å; E651-L703 HydrophobicContact CB-CD1 3.9Å; E651-L703 HydrophobicContact CG-CD1 4.18Å; L680-L703 HydrophobicContact CB-CD2 4.02Å; L680-L703 HydrophobicContact CD2-CD1 3.66Å; L680-L703 HydrophobicContact CD2-CD2 3.96Å; L680-L703 HydrophobicContact CD2-CG 4.46Å; Y692-L703 HydrophobicContact CD1-CB 3.93Å; Y692-L703 HydrophobicContact CD1-CD1 4.22Å; Y692-L703 HydrophobicContact CD2-CD1 4.21Å; Y692-L703 HydrophobicContact CG-CB 4.11Å; Y692-L703 HydrophobicContact CG-CD1 4.01Å; Y692-L703 HydrophobicContact CG-CG 4.46Å; I694-L703 HydrophobicContact CG1-CD2 3.98Å
704R88.1Confident82.1Confident105 Ų10565.2 Ų65.240%0.39634%0.339SS..EExtended strand (participates in β ladder)trans-130.6169.5178.6-69.9-170-178.3160.312.8111.3Y692 T693 D695Y692-R704 CarbonylContact C-O 3.57Å; Y692-R704 WeakPolarHBondContact CA-O 3.36Å; Y692-R704 WeakPolarHBondContact CB-O 3.16Å; T693-R704 PolarHBondContact N-O 2.96Å; T693-R704 PolarHBondContact O-N 3.24Å; T693-R704 VanDerWaalsContact OG1-C 3.32Å; T693-R704 VanDerWaalsContact OG1-CB 3.32Å; T693-R704 WeakPolarHBondContact OG1-CB 3.34Å; T693-R704 PolarHBondContact OG1-O 2.94Å; D695-R704 IonicContact OD2-CZ 3.47Å; D695-R704 IonicContact OD2-NE 2.88Å; D695-R704 IonicContact OD2-NH1 2.68Å; D695-R704 PolarHBondContact OD2-NH1 2.84Å; D695-R704 IonicContact OD2-NH2 3.93Å; D695-R704 PolarHBondContact OD2-NH2 3.05Å
705D83Confident81.2Confident95 Ų9569 Ų6951%0.50836%0.364SS..EExtended strand (participates in β ladder)trans46.855.5175.4-49.4-35.1000114.2T693 K707T693-D705 PolarHBondContact OG1-OD2 3Å; D705-K707 WeakPolarHBondContact O-CG 3.45Å; D705-K707 PolarHBondContact O-N 3.35Å; D705-K707 VanDerWaalsContact O-N 3.13Å
706P85.6Confident80.7Confident90 Ų9071.2 Ų71.258%0.58438%0.38SS*.EExtended strand (participates in β ladder)trans-59.7116.6-176.526.6-36.2000111.1Y692Y692-P706 HydrophobicContact CD1-CB 3.84Å; Y692-P706 HydrophobicContact CE1-CB 3.57Å
707K85.3Confident80.9Confident119 Ų11971.7 Ų71.752%0.51738%0.382SS..EExtended strand (participates in β ladder)trans-125.5155.4178.9-72.9169.3-175.6176.60110.4Y690 F691 D705Y690-K707 CarbonylContact C-O 3.59Å; Y690-K707 WeakPolarHBondContact CA-O 3.33Å; F691-K707 HydrophobicContact CD1-CB 4.04Å; F691-K707 HydrophobicContact CD2-CB 4.04Å; F691-K707 HydrophobicContact CD2-CD 4.48Å; F691-K707 HydrophobicContact CE1-CB 3.58Å; F691-K707 HydrophobicContact CE2-CB 3.59Å; F691-K707 HydrophobicContact CE2-CD 3.56Å; F691-K707 HydrophobicContact CE2-CG 4.19Å; F691-K707 HydrophobicContact CG-CB 4.26Å; F691-K707 HydrophobicContact CZ-CB 3.35Å; F691-K707 HydrophobicContact CZ-CD 3.75Å; F691-K707 HydrophobicContact CZ-CG 4.15Å; F691-K707 PolarHBondContact N-O 2.91Å; F691-K707 PolarHBondContact O-N 2.88Å; D705-K707 WeakPolarHBondContact O-CG 3.45Å; D705-K707 PolarHBondContact O-N 3.35Å; D705-K707 VanDerWaalsContact O-N 3.13Å
708R84.1Confident81.4Confident172 Ų17272.4 Ų72.465%0.64938%0.381SS*.EExtended strand (participates in β ladder)trans-141.2144.1176.770.6-179.1-174.9-179.71.5111.7T688 L689 Y690T688-R708 HydrophobicContact CG2-CB 4.09Å; L689-R708 CarbonylContact O-C 3.59Å; L689-R708 VanDerWaalsContact O-CA 3.26Å; L689-R708 WeakPolarHBondContact O-CA 3.41Å; Y690-R708 HydrophobicContact CD1-CB 3.83Å; Y690-R708 HydrophobicContact CE1-CB 3.79Å; Y690-R708 HydrophobicContact CE1-CG 4.46Å; Y690-R708 HydrophobicContact CG-CB 4.34Å
709V77.9Confident82.8Confident51 Ų5165.6 Ų65.631%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-135.8143.2176.5169.30000108.2L689 F691 A711 F749L689-V709 PolarHBondContact N-O 2.77Å; L689-V709 PolarHBondContact O-N 3.25Å; F691-V709 HydrophobicContact CE1-CG2 4.01Å; V709-A711 PolarHBondContact O-N 2.87Å; V709-F749 HydrophobicContact CG2-CE2 4.38Å; V709-F749 HydrophobicContact CG2-CZ 4.29Å
710S78.2Confident83.9Confident79 Ų7961.3 Ų61.355%0.55232%0.321SS*.EExtended strand (participates in β ladder)trans-77.4117.5168.3-171.80000108.5
711A78.4Confident84.5Confident6 Ų657.4 Ų57.45%0.0530%0.303CS..  trans-126.318.8-17600000112.1G687 L689 V709 M717 V732 S734G687-A711 CarbonylContact O-C 3.58Å; G687-A711 PolarHBondContact O-N 2.92Å; L689-A711 HydrophobicContact CB-CB 3.97Å; V709-A711 PolarHBondContact O-N 2.87Å; A711-M717 HydrophobicContact CB-CE 3.93Å; A711-V732 HydrophobicContact CB-CG1 4.21Å; A711-S734 VanDerWaalsContact O-CB 3.32Å; A711-S734 WeakPolarHBondContact O-CB 3.38Å; A711-S734 PolarHBondContact O-OG 3.09Å
712G77Confident84.6Confident2 Ų257.5 Ų57.52%0.02130%0.302CS..  trans172.3177.5-175.900000110.8G687 N735G687-G712 VanDerWaalsContact CA-C 3.49Å; G687-G712 WeakPolarHBondContact CA-O 3.36Å; G687-G712 PolarHBondContact O-N 3.05Å; G712-N735 WeakPolarHBondContact CA-OD1 3.34Å
713T73.6Confident84.3Confident98 Ų9864.8 Ų64.860%0.60133%0.327SS*.SBendtrans-138.24.1167.252.90000112.5N735T713-N735 PolarHBondContact N-OD1 3.11Å; T713-N735 PolarHBondContact OG1-ND2 3.18Å
714G70Confident83.7Confident16 Ų1665.4 Ų65.417%0.16533%0.332CS..SBendtrans-111.5163.3-178.400000114S716 N735G714-S716 VanDerWaalsContact C-N 3.28Å; G714-S716 PolarHBondContact O-N 2.73Å; G714-N735 PolarHBondContact N-OD1 2.84Å
715P73.6Confident83Confident81 Ų8166.3 Ų66.353%0.52634%0.341SS..SBendtrans-77-11.1-178.732.9-37.3000114.3R667 G685 M717R667-P715 PolarHBondContact NE-O 3.18Å; G685-P715 WeakPolarHBondContact O-CA 3.48Å; P715-M717 PolarHBondContact O-N 3.22Å
716S81.4Confident82.7Confident57 Ų5772.4 Ų72.440%0.39936%0.357SS..  trans-85.392.3174.8-60.30000109.1G714G714-S716 VanDerWaalsContact C-N 3.28Å; G714-S716 PolarHBondContact O-N 2.73Å
717M89.7Confident82.5Confident10 Ų1074.2 Ų74.25%0.04936%0.356CS..  trans-126.7133.7168.4-67-166.580.300111.4A683 G687 A711 P715 V732 C733A683-M717 HydrophobicContact CB-CB 3.81Å; A683-M717 HydrophobicContact CB-CE 3.97Å; A683-M717 HydrophobicContact CB-SD 4.07Å; G687-M717 VanDerWaalsContact C-SD 3.57Å; G687-M717 WeakPolarHBondContact CA-SD 3.47Å; A711-M717 HydrophobicContact CB-CE 3.93Å; P715-M717 PolarHBondContact O-N 3.22Å; M717-V732 HydrophobicContact CE-CG1 3.68Å; M717-C733 VanDerWaalsContact CA-O 3.29Å; M717-C733 WeakPolarHBondContact CA-O 3.2Å
718F93.7Very high82.7Confident53 Ų5369.9 Ų69.923%0.23234%0.339CS..EExtended strand (participates in β ladder)trans-140.2139.3177.1-178.2-102.8000110.7R720 C733 F759F718-R720 HydrophobicContact CD1-CB 4.49Å; F718-R720 HydrophobicContact CE1-CB 4.02Å; F718-R720 HydrophobicContact CE1-CG 4.49Å; F718-C733 HydrophobicContact CB-CB 3.95Å; F718-C733 PolarHBondContact N-O 2.83Å; F718-C733 WeakPolarHBondContact O-CB 3.29Å; F718-C733 PolarHBondContact O-N 2.7Å; F718-F759 AromaticContact CD1-CD2 3.85Å; F718-F759 HydrophobicContact CD1-CD2 3.85Å; F718-F759 AromaticContact CD1-CE2 3.89Å; F718-F759 HydrophobicContact CD1-CE2 3.89Å; F718-F759 HydrophobicContact CD1-CG 4.3Å; F718-F759 HydrophobicContact CD1-CZ 4.34Å; F718-F759 HydrophobicContact CD2-CD2 4.4Å; F718-F759 HydrophobicContact CD2-CE2 4.04Å; F718-F759 HydrophobicContact CE1-CD1 4.36Å; F718-F759 AromaticContact CE1-CD2 3.89Å; F718-F759 HydrophobicContact CE1-CD2 3.89Å; F718-F759 AromaticContact CE1-CE1 3.97Å; F718-F759 HydrophobicContact CE1-CE1 3.97Å; F718-F759 AromaticContact CE1-CE2 3.49Å; F718-F759 HydrophobicContact CE1-CE2 3.49Å; F718-F759 VanDerWaalsContact CE1-CE2 3.49Å; F718-F759 HydrophobicContact CE1-CG 4.31Å; F718-F759 AromaticContact CE1-CZ 3.54Å; F718-F759 HydrophobicContact CE1-CZ 3.54Å; F718-F759 HydrophobicContact CE2-CD2 4.45Å; F718-F759 AromaticContact CE2-CE2 3.68Å; F718-F759 HydrophobicContact CE2-CE2 3.68Å; F718-F759 HydrophobicContact CE2-CZ 4.15Å; F718-F759 HydrophobicContact CG-CD2 4.12Å; F718-F759 HydrophobicContact CG-CE2 4.14Å; F718-F759 HydrophobicContact CZ-CD2 4.21Å; F718-F759 HydrophobicContact CZ-CE1 4.28Å; F718-F759 AromaticContact CZ-CE2 3.39Å; F718-F759 HydrophobicContact CZ-CE2 3.39Å; F718-F759 AromaticContact CZ-CZ 3.43Å; F718-F759 HydrophobicContact CZ-CZ 3.43Å; F718-F759 VanDerWaalsContact CZ-CZ 3.43Å
719L95.8Very high83.1Confident6 Ų662 Ų623%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-109.3133.5179.7-61173.2000109.8S668 L670 F681 A683 L689 F731 V732S668-L719 WeakPolarHBondContact OG-CB 3.28Å; S668-L719 PolarHBondContact OG-N 2.95Å; L670-L719 HydrophobicContact CB-CB 3.91Å; L670-L719 HydrophobicContact CB-CD1 4.1Å; L670-L719 HydrophobicContact CD2-CB 4.05Å; F681-L719 HydrophobicContact CB-CD1 3.71Å; A683-L719 HydrophobicContact CB-CD1 4.02Å; A683-L719 HydrophobicContact CB-CD2 4.2Å; A683-L719 HydrophobicContact CB-CG 3.94Å; L689-L719 HydrophobicContact CD1-CD1 4.2Å; L689-L719 HydrophobicContact CD1-CD2 3.99Å; L719-F731 WeakPolarHBondContact CA-O 3.49Å; L719-V732 HydrophobicContact CD2-CB 4.28Å; L719-V732 HydrophobicContact CD2-CG1 4.09Å; L719-V732 HydrophobicContact CD2-CG2 3.85Å
720R94.5Very high83.9Confident73 Ų7359.6 Ų59.628%0.27530%0.295SS..EExtended strand (participates in β ladder)trans-137.3127.1175.8-166.865171166.2-1.1111.8F718 F731 M760F718-R720 HydrophobicContact CD1-CB 4.49Å; F718-R720 HydrophobicContact CE1-CB 4.02Å; F718-R720 HydrophobicContact CE1-CG 4.49Å; R720-F731 PolarHBondContact N-O 3.12Å; R720-F731 PolarHBondContact O-N 2.89Å; R720-M760 HydrophobicContact CB-SD 3.83Å; R720-M760 WeakPolarHBondContact CG-O 3.39Å; R720-M760 HydrophobicContact CG-SD 3.67Å
721Q92.7Very high84.7Confident49 Ų4955.8 Ų55.823%0.22927%0.269CS..EExtended strand (participates in β ladder)trans-77.8139.3167.6-170.5179.7-47.300110.3L670 V728 N729L670-Q721 HydrophobicContact CD1-CB 4.33Å; L670-Q721 HydrophobicContact CD2-CB 4.19Å; Q721-V728 VanDerWaalsContact CD-CG1 3.44Å; Q721-V728 HydrophobicContact CG-CG1 3.51Å; Q721-V728 VanDerWaalsContact NE2-CG1 3.35Å; Q721-N729 WeakPolarHBondContact CA-O 3.33Å
722W90.9Very high85.4Confident12 Ų1255.5 Ų55.55%0.04527%0.267CS..EExtended strand (participates in β ladder)trans-140.2176166.397104.9000111.3N729 F731 V739 M760 P762 V785W722-N729 HydrophobicContact CD2-CB 3.91Å; W722-N729 HydrophobicContact CE3-CB 3.55Å; W722-N729 HydrophobicContact CH2-CB 3.59Å; W722-N729 HydrophobicContact CZ2-CB 3.91Å; W722-N729 HydrophobicContact CZ3-CB 3.39Å; W722-N729 PolarHBondContact N-O 2.83Å; W722-N729 PolarHBondContact O-N 2.9Å; W722-N729 VanDerWaalsContact O-N 3.09Å; W722-N729 VanDerWaalsContact O-O 3.12Å; W722-F731 HydrophobicContact CE3-CB 3.91Å; W722-F731 HydrophobicContact CH2-CD2 4.4Å; W722-F731 HydrophobicContact CZ3-CB 3.82Å; W722-F731 HydrophobicContact CZ3-CD2 4.08Å; W722-F731 HydrophobicContact CZ3-CG 4.44Å; W722-V739 HydrophobicContact CH2-CB 4.15Å; W722-V739 HydrophobicContact CH2-CG1 3.46Å; W722-V739 VanDerWaalsContact CH2-CG1 3.46Å; W722-V739 HydrophobicContact CH2-CG2 3.64Å; W722-V739 HydrophobicContact CZ3-CG1 3.95Å; W722-V739 HydrophobicContact CZ3-CG2 4.22Å; W722-M760 HydrophobicContact CB-CE 3.82Å; W722-M760 HydrophobicContact CD2-CE 4.19Å; W722-M760 HydrophobicContact CG-CE 3.89Å; W722-P762 HydrophobicContact CB-CB 4.32Å; W722-V785 HydrophobicContact CZ2-CG1 4.5Å; W722-V785 HydrophobicContact CZ2-CG2 4.02Å
723R85.8Confident86.3Confident171 Ų17155.5 Ų55.565%0.64527%0.266SS*.EExtended strand (participates in β ladder)trans-118.8135170.6-76.9179.8178.1134.50.5110K727 V728R723-K727 VanDerWaalsContact CA-O 3.27Å; R723-K727 WeakPolarHBondContact CA-O 3.23Å; R723-V728 HydrophobicContact CG-CG2 3.6Å
724S79.2Confident87.1Confident28 Ų2850.8 Ų50.820%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-130.4136.9164.7172.40000107.9R726 K727S724-R726 PolarHBondContact O-N 3.08Å; S724-R726 VanDerWaalsContact O-N 3.13Å; S724-K727 PolarHBondContact N-O 3.09Å; S724-K727 PolarHBondContact O-N 3.14Å
725Q73.4Confident87.9Confident125 Ų12551.9 Ų51.958%0.58424%0.239SC*.THydrogen-bonded Turntrans47.744.6-179.9-59.1178.8-8.700113.2K727Q725-K727 PolarHBondContact O-N 2.82Å
726R75.3Confident88.4Confident223 Ų22352.5 Ų52.584%0.84224%0.235SC*.THydrogen-bonded Turntrans63.5-2.3-174.8-51.9178.8179.9163.34.1116.4S724S724-R726 PolarHBondContact O-N 3.08Å; S724-R726 VanDerWaalsContact O-N 3.13Å
727K82.7Confident88.8Confident128 Ų12849.9 Ų49.956%0.55722%0.217SC*.EExtended strand (participates in β ladder)trans-86.8145.9178.9-69.4-177.8-179.3174.70113.5R723 S724 Q725R723-K727 VanDerWaalsContact CA-O 3.27Å; R723-K727 WeakPolarHBondContact CA-O 3.23Å; S724-K727 PolarHBondContact N-O 3.09Å; S724-K727 PolarHBondContact O-N 3.14Å; Q725-K727 PolarHBondContact O-N 2.82Å
728V89.1Confident88.7Confident28 Ų2849.6 Ų49.617%0.1722%0.216CC..EExtended strand (participates in β ladder)trans-51.6104158.8-160.80000117.1L674 Q721 R723L674-V728 HydrophobicContact CD2-CB 4.34Å; L674-V728 HydrophobicContact CD2-CG1 3.9Å; L674-V728 WeakPolarHBondContact CD2-O 3.46Å; Q721-V728 VanDerWaalsContact CD-CG1 3.44Å; Q721-V728 HydrophobicContact CG-CG1 3.51Å; Q721-V728 VanDerWaalsContact NE2-CG1 3.35Å; R723-V728 HydrophobicContact CG-CG2 3.6Å
729N92.2Very high88.5Confident6 Ų647.1 Ų47.13%0.03221%0.205CC..EExtended strand (participates in β ladder)trans-128.5152170.9-57.6-36000112.4Q721 W722 Y741Q721-N729 WeakPolarHBondContact CA-O 3.33Å; W722-N729 HydrophobicContact CD2-CB 3.91Å; W722-N729 HydrophobicContact CE3-CB 3.55Å; W722-N729 HydrophobicContact CH2-CB 3.59Å; W722-N729 HydrophobicContact CZ2-CB 3.91Å; W722-N729 HydrophobicContact CZ3-CB 3.39Å; W722-N729 PolarHBondContact N-O 2.83Å; W722-N729 PolarHBondContact O-N 2.9Å; W722-N729 VanDerWaalsContact O-N 3.09Å; W722-N729 VanDerWaalsContact O-O 3.12Å; N729-Y741 WeakPolarHBondContact OD1-CB 3.2Å
730V94.4Very high88.3Confident0 Ų046.8 Ų46.80%020%0.203CC..EExtended strand (participates in β ladder)trans-117.5126.3173.7173.80000109.6L670 A672 F681 I740L670-V730 HydrophobicContact CD2-CB 4.34Å; L670-V730 HydrophobicContact CD2-CG1 3.64Å; L670-V730 HydrophobicContact CD2-CG2 3.84Å; A672-V730 HydrophobicContact CB-CG2 3.63Å; F681-V730 HydrophobicContact CE2-CG2 4.31Å; V730-I740 HydrophobicContact CB-CB 4.2Å; V730-I740 HydrophobicContact CB-CD1 4.45Å; V730-I740 HydrophobicContact CG1-CD1 4.16Å; V730-I740 PolarHBondContact N-O 3.03Å; V730-I740 PolarHBondContact O-N 2.72Å
731F94.5Very high88Confident0 Ų044.3 Ų44.30%019%0.194CC..EExtended strand (participates in β ladder)trans-95130.6174.4-160.9-72.3000109.3L719 R720 W722 C733 P737 V739 L752 V757 M760 I772 L774L719-F731 WeakPolarHBondContact CA-O 3.49Å; R720-F731 PolarHBondContact N-O 3.12Å; R720-F731 PolarHBondContact O-N 2.89Å; W722-F731 HydrophobicContact CE3-CB 3.91Å; W722-F731 HydrophobicContact CH2-CD2 4.4Å; W722-F731 HydrophobicContact CZ3-CB 3.82Å; W722-F731 HydrophobicContact CZ3-CD2 4.08Å; W722-F731 HydrophobicContact CZ3-CG 4.44Å; F731-C733 VanDerWaalsContact CD1-SG 3.59Å; F731-P737 HydrophobicContact CE1-CB 4.44Å; F731-V739 HydrophobicContact CD2-CG2 4.46Å; F731-L752 HydrophobicContact CD2-CD1 4.17Å; F731-L752 HydrophobicContact CE1-CD1 4.03Å; F731-L752 HydrophobicContact CE2-CD1 3.33Å; F731-L752 HydrophobicContact CZ-CD1 3.24Å; F731-V757 HydrophobicContact CE1-CB 4.26Å; F731-V757 HydrophobicContact CE1-CG1 3.9Å; F731-V757 HydrophobicContact CZ-CG1 4.3Å; F731-V757 HydrophobicContact CZ-CG2 4.42Å; F731-M760 HydrophobicContact CB-CG 4.3Å; F731-M760 HydrophobicContact CB-SD 3.99Å; F731-M760 HydrophobicContact CD1-CB 3.88Å; F731-M760 HydrophobicContact CD1-CG 4.06Å; F731-M760 HydrophobicContact CD2-CE 4.44Å; F731-M760 HydrophobicContact CD2-CG 3.88Å; F731-M760 HydrophobicContact CD2-SD 4.36Å; F731-M760 HydrophobicContact CE1-CB 4.1Å; F731-M760 HydrophobicContact CE1-CG 4.34Å; F731-M760 HydrophobicContact CE2-CG 4.15Å; F731-M760 HydrophobicContact CG-CB 4.15Å; F731-M760 HydrophobicContact CG-CG 3.82Å; F731-M760 HydrophobicContact CG-SD 4.16Å; F731-M760 HydrophobicContact CZ-CG 4.37Å; F731-I772 HydrophobicContact CD2-CD1 4.32Å; F731-I772 HydrophobicContact CE2-CD1 3.82Å; F731-L774 HydrophobicContact CE1-CD2 4.13Å; F731-L774 HydrophobicContact CE2-CD2 3.79Å; F731-L774 HydrophobicContact CZ-CD2 3.39Å
732V94.3Very high87.6Confident0 Ų042.4 Ų42.40%019%0.186CC..EExtended strand (participates in β ladder)trans-105.4104.8173-171.90000108.2L689 A711 M717 L719 P737 C738 I740L689-V732 HydrophobicContact CD2-CG2 4.17Å; A711-V732 HydrophobicContact CB-CG1 4.21Å; M717-V732 HydrophobicContact CE-CG1 3.68Å; L719-V732 HydrophobicContact CD2-CB 4.28Å; L719-V732 HydrophobicContact CD2-CG1 4.09Å; L719-V732 HydrophobicContact CD2-CG2 3.85Å; V732-P737 WeakPolarHBondContact O-CA 3.36Å; V732-C738 PolarHBondContact N-O 2.86Å; V732-C738 PolarHBondContact O-N 2.83Å; V732-C738 VanDerWaalsContact O-N 3.16Å; V732-I740 HydrophobicContact CG2-CD1 3.69Å; V732-I740 HydrophobicContact CG2-CG1 3.89Å
733C94.6Very high86.8Confident1 Ų145.4 Ų45.41%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-77.2121170.7-59.40000108.8M717 F718 F731 V757 F759 M760M717-C733 VanDerWaalsContact CA-O 3.29Å; M717-C733 WeakPolarHBondContact CA-O 3.2Å; F718-C733 HydrophobicContact CB-CB 3.95Å; F718-C733 PolarHBondContact N-O 2.83Å; F718-C733 WeakPolarHBondContact O-CB 3.29Å; F718-C733 PolarHBondContact O-N 2.7Å; F731-C733 VanDerWaalsContact CD1-SG 3.59Å; C733-V757 CarbonylContact C-O 3.52Å; C733-V757 VanDerWaalsContact C-O 3.25Å; C733-V757 WeakPolarHBondContact CA-O 3.45Å; C733-V757 HydrophobicContact CB-CG1 4.23Å; C733-V757 VanDerWaalsContact CB-O 3.23Å; C733-V757 WeakPolarHBondContact CB-O 3.38Å; C733-F759 VanDerWaalsContact SG-C 3.57Å; C733-M760 WeakPolarHBondContact SG-CB 3.26Å; C733-M760 PolarHBondContact SG-N 2.91Å
734S91.8Very high86.1Confident0 Ų045 Ų450%021%0.205CC..SBendtrans-163.3-171.3173.571.80000110.1A711 H736 E756 V757A711-S734 VanDerWaalsContact O-CB 3.32Å; A711-S734 WeakPolarHBondContact O-CB 3.38Å; A711-S734 PolarHBondContact O-OG 3.09Å; S734-H736 PolarHBondContact O-N 2.85Å; S734-H736 WeakPolarHBondContact OG-CA 3.31Å; S734-H736 PolarHBondContact OG-N 3.04Å; S734-H736 PolarHBondContact OG-O 3.41Å; S734-H736 VanDerWaalsContact OG-O 3.07Å; S734-E756 WeakPolarHBondContact O-CA 3.23Å; S734-V757 PolarHBondContact N-O 3.12Å; S734-V757 PolarHBondContact O-N 2.73Å
735N86.3Confident85.8Confident39 Ų3946.8 Ų46.821%0.20921%0.212CC..SBendtrans-78.55.516670.6-53.4000114.3G712 T713 G714 K755 E756G712-N735 WeakPolarHBondContact CA-OD1 3.34Å; T713-N735 PolarHBondContact N-OD1 3.11Å; T713-N735 PolarHBondContact OG1-ND2 3.18Å; G714-N735 PolarHBondContact N-OD1 2.84Å; N735-K755 CarbonylContact C-O 3.48Å; N735-E756 HydrophobicContact CB-CG 4.33Å
736H83.2Confident85.8Confident94 Ų9445.3 Ų45.344%0.43520%0.204SC..SBendtrans-141.265.6168.1-70.1-71000107.7S734 C738S734-H736 PolarHBondContact O-N 2.85Å; S734-H736 WeakPolarHBondContact OG-CA 3.31Å; S734-H736 PolarHBondContact OG-N 3.04Å; S734-H736 PolarHBondContact OG-O 3.41Å; S734-H736 VanDerWaalsContact OG-O 3.07Å; H736-C738 PolarHBondContact O-N 2.94Å
737P90Very high86.2Confident2 Ų235.8 Ų35.81%0.01317%0.17CC..  trans-62.4136.3-168.526.6-34.7000110.8F731 V732 L752 L754 V757F731-P737 HydrophobicContact CE1-CB 4.44Å; V732-P737 WeakPolarHBondContact O-CA 3.36Å; P737-L752 HydrophobicContact CB-CB 4.42Å; P737-L752 HydrophobicContact CB-CD1 4.2Å; P737-L752 HydrophobicContact CG-CB 4.25Å; P737-L752 PolarHBondContact O-N 2.81Å; P737-L754 WeakPolarHBondContact CD-O 3.12Å; P737-L754 HydrophobicContact CG-CB 4.11Å; P737-L754 VanDerWaalsContact CG-O 3.3Å; P737-L754 WeakPolarHBondContact CG-O 3.23Å; P737-V757 HydrophobicContact CB-CB 4.12Å; P737-V757 HydrophobicContact CB-CG2 3.98Å; P737-V757 HydrophobicContact CG-CG2 4.11Å
738C88.5Confident86.1Confident4 Ų432.2 Ų32.23%0.02716%0.156CC..EExtended strand (participates in β ladder)trans-143.3159.4-178.765.40000113V732 H736 A750V732-C738 PolarHBondContact N-O 2.86Å; V732-C738 PolarHBondContact O-N 2.83Å; V732-C738 VanDerWaalsContact O-N 3.16Å; H736-C738 PolarHBondContact O-N 2.94Å; C738-A750 CarbonylContact C-O 3.59Å; C738-A750 VanDerWaalsContact CA-O 3.28Å; C738-A750 WeakPolarHBondContact CA-O 3.35Å; C738-A750 WeakPolarHBondContact CB-O 3.49Å
739V89.9Confident85.8Confident0 Ų033.8 Ų33.80%016%0.161CC..EExtended strand (participates in β ladder)trans-106.4133175.51730000108.9I416 W722 F731 Y741 F749 A750 L752 I788I416-V739 HydrophobicContact CD1-CB 3.72Å; I416-V739 HydrophobicContact CD1-CG1 4.27Å; I416-V739 HydrophobicContact CD1-CG2 3.78Å; W722-V739 HydrophobicContact CH2-CB 4.15Å; W722-V739 HydrophobicContact CH2-CG1 3.46Å; W722-V739 VanDerWaalsContact CH2-CG1 3.46Å; W722-V739 HydrophobicContact CH2-CG2 3.64Å; W722-V739 HydrophobicContact CZ3-CG1 3.95Å; W722-V739 HydrophobicContact CZ3-CG2 4.22Å; F731-V739 HydrophobicContact CD2-CG2 4.46Å; V739-Y741 HydrophobicContact CG1-CD1 4.12Å; V739-F749 WeakPolarHBondContact O-CA 3.43Å; V739-A750 PolarHBondContact N-O 2.95Å; V739-A750 PolarHBondContact O-N 3.33Å; V739-L752 HydrophobicContact CG2-CD1 3.92Å; V739-L752 HydrophobicContact CG2-CD2 4.12Å; V739-L752 HydrophobicContact CG2-CG 4.06Å; V739-I788 HydrophobicContact CG1-CD1 4.34Å
740I90.7Very high85.2Confident0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-108.4127.3169.3-39.8172.6000108F681 L689 V730 V732 L747 I748 F749F681-I740 HydrophobicContact CD1-CD1 3.85Å; F681-I740 HydrophobicContact CE1-CD1 3.61Å; F681-I740 HydrophobicContact CE1-CG2 4.27Å; F681-I740 HydrophobicContact CZ-CD1 4.26Å; F681-I740 HydrophobicContact CZ-CG2 4.23Å; L689-I740 HydrophobicContact CD2-CD1 3.63Å; V730-I740 HydrophobicContact CB-CB 4.2Å; V730-I740 HydrophobicContact CB-CD1 4.45Å; V730-I740 HydrophobicContact CG1-CD1 4.16Å; V730-I740 PolarHBondContact N-O 3.03Å; V730-I740 PolarHBondContact O-N 2.72Å; V732-I740 HydrophobicContact CG2-CD1 3.69Å; V732-I740 HydrophobicContact CG2-CG1 3.89Å; I740-L747 HydrophobicContact CG2-CB 4.42Å; I740-L747 HydrophobicContact CG2-CD2 4.35Å; I740-I748 WeakPolarHBondContact CA-O 3.39Å; I740-F749 HydrophobicContact CD1-CD1 4.13Å; I740-F749 HydrophobicContact CD1-CE1 3.71Å; I740-F749 HydrophobicContact CG1-CD1 3.78Å; I740-F749 HydrophobicContact CG1-CE1 3.84Å; I740-F749 HydrophobicContact CG2-CD1 4.31Å; I740-F749 HydrophobicContact CG2-CE1 4.04Å; I740-F749 HydrophobicContact CG2-CZ 4.25Å
741Y88.1Confident84.6Confident21 Ų2138.3 Ų38.38%0.08219%0.187CC..EExtended strand (participates in β ladder)trans-142.3166.3176.763.6-74.6000108.8N729 V739 I743 L747 I748 A750 I788N729-Y741 WeakPolarHBondContact OD1-CB 3.2Å; V739-Y741 HydrophobicContact CG1-CD1 4.12Å; Y741-I743 HydrophobicContact CD2-CD1 4.32Å; Y741-I743 HydrophobicContact CD2-CG1 4.04Å; Y741-I743 HydrophobicContact CE2-CD1 3.71Å; Y741-I743 HydrophobicContact CE2-CG1 3.89Å; Y741-L747 WeakPolarHBondContact O-CA 3.48Å; Y741-I748 HydrophobicContact CD1-CB 4.21Å; Y741-I748 WeakPolarHBondContact CD1-O 3.27Å; Y741-I748 HydrophobicContact CE1-CB 3.66Å; Y741-I748 HydrophobicContact CE1-CG2 3.62Å; Y741-I748 HydrophobicContact CE2-CB 4.02Å; Y741-I748 HydrophobicContact CE2-CD1 3.77Å; Y741-I748 HydrophobicContact CE2-CG1 4.41Å; Y741-I748 HydrophobicContact CE2-CG2 4.41Å; Y741-I748 PolarHBondContact N-O 2.79Å; Y741-I748 VanDerWaalsContact N-O 3.17Å; Y741-I748 PolarHBondContact O-N 2.92Å; Y741-I748 VanDerWaalsContact OH-CG2 3.31Å; Y741-I748 WeakPolarHBondContact OH-CG2 3.39Å; Y741-A750 HydrophobicContact CE1-CB 3.9Å; Y741-I788 HydrophobicContact CD1-CG2 3.8Å; Y741-I788 HydrophobicContact CD2-CG2 4.26Å; Y741-I788 HydrophobicContact CE1-CG2 3.3Å; Y741-I788 HydrophobicContact CE2-CG2 3.8Å; Y741-I788 HydrophobicContact CG-CD1 4.37Å; Y741-I788 HydrophobicContact CG-CG2 4.24Å
742S85.4Confident84Confident9 Ų938.8 Ų38.86%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-116140.4176.4-1690000110.9E675 N745 K746E675-S742 WeakPolarHBondContact OE2-CB 3.31Å; E675-S742 PolarHBondContact OE2-OG 3.15Å; S742-N745 WeakPolarHBondContact OG-CA 3.28Å; S742-K746 WeakPolarHBondContact CA-O 3.36Å; S742-K746 PolarHBondContact OG-N 3Å; S742-K746 PolarHBondContact OG-O 2.9Å
743I74.1Confident83.2Confident75 Ų7540 Ų4039%0.38520%0.196SC..EExtended strand (participates in β ladder)trans-129.4121.6165.7-68-175000106.9Y741 N745 K746 I748Y741-I743 HydrophobicContact CD2-CD1 4.32Å; Y741-I743 HydrophobicContact CD2-CG1 4.04Å; Y741-I743 HydrophobicContact CE2-CD1 3.71Å; Y741-I743 HydrophobicContact CE2-CG1 3.89Å; I743-N745 VanDerWaalsContact C-N 3.31Å; I743-N745 PolarHBondContact O-N 2.96Å; I743-K746 PolarHBondContact N-O 2.84Å; I743-K746 PolarHBondContact O-N 2.73Å; I743-I748 HydrophobicContact CB-CD1 4.13Å; I743-I748 HydrophobicContact CD1-CD1 4.01Å; I743-I748 HydrophobicContact CG1-CD1 4.15Å
744K71.4Confident82.5Confident162 Ų16241.6 Ų41.670%0.70420%0.204SC*.THydrogen-bonded Turntrans56.343.6177.6-56.9170.4-176.51700112.4E675 K746E675-K744 PolarHBondContact OE1-N 2.99Å; E675-K744 PolarHBondContact OE2-N 2.96Å; E675-K744 VanDerWaalsContact OE2-N 3.13Å; K744-K746 PolarHBondContact O-N 2.91Å
745N72.9Confident82Confident65 Ų6550 Ų5035%0.34824%0.24SC..THydrogen-bonded Turntrans59.717.6-176.1-67.2-46.1000115E675 D676 I677 S742 I743E675-N745 WeakPolarHBondContact CB-OD1 3.24Å; E675-N745 WeakPolarHBondContact OE2-CA 3.41Å; E675-N745 PolarHBondContact OE2-N 2.73Å; D676-N745 PolarHBondContact N-OD1 3.49Å; I677-N745 HydrophobicContact CD1-CB 3.84Å; S742-N745 WeakPolarHBondContact OG-CA 3.28Å; I743-N745 VanDerWaalsContact C-N 3.31Å; I743-N745 PolarHBondContact O-N 2.96Å
746K73.6Confident82.1Confident95 Ų9551.2 Ų51.241%0.41325%0.245SC..EExtended strand (participates in β ladder)trans-107123.1171.2-174.1-179.8179.3-1770110.2S742 I743 K744S742-K746 WeakPolarHBondContact CA-O 3.36Å; S742-K746 PolarHBondContact OG-N 3Å; S742-K746 PolarHBondContact OG-O 2.9Å; I743-K746 PolarHBondContact N-O 2.84Å; I743-K746 PolarHBondContact O-N 2.73Å; K744-K746 PolarHBondContact O-N 2.91Å
747L83.2Confident82.6Confident23 Ų2346.8 Ų46.812%0.1222%0.224CC..EExtended strand (participates in β ladder)trans-68134.8172.9-60.7-174.7000111.3L674 Y679 F681 F691 I740 Y741 F749L674-L747 HydrophobicContact CB-CD2 4.3Å; L674-L747 HydrophobicContact CD1-CD2 3.44Å; L674-L747 VanDerWaalsContact CD1-CD2 3.44Å; L674-L747 HydrophobicContact CG-CD2 4.5Å; Y679-L747 HydrophobicContact CD1-CD1 4.07Å; Y679-L747 HydrophobicContact CD2-CD2 4.31Å; Y679-L747 HydrophobicContact CE1-CD1 3.77Å; Y679-L747 HydrophobicContact CE1-CG 4.21Å; Y679-L747 HydrophobicContact CE2-CD1 4.35Å; Y679-L747 HydrophobicContact CE2-CD2 3.76Å; Y679-L747 HydrophobicContact CE2-CG 4.25Å; Y679-L747 HydrophobicContact CG-CD1 4.47Å; F681-L747 HydrophobicContact CE1-CD1 4.2Å; F681-L747 HydrophobicContact CZ-CD1 3.97Å; F691-L747 HydrophobicContact CD2-CD1 3.83Å; F691-L747 HydrophobicContact CE2-CD1 3.73Å; I740-L747 HydrophobicContact CG2-CB 4.42Å; I740-L747 HydrophobicContact CG2-CD2 4.35Å; Y741-L747 WeakPolarHBondContact O-CA 3.48Å; L747-F749 HydrophobicContact CB-CE2 4.16Å
748I81Confident82.7Confident52 Ų5248.7 Ų48.727%0.26723%0.234SC..EExtended strand (participates in β ladder)trans-121.9133.7172.6-56.8169.9000108.1I740 Y741 I743I740-I748 WeakPolarHBondContact CA-O 3.39Å; Y741-I748 HydrophobicContact CD1-CB 4.21Å; Y741-I748 WeakPolarHBondContact CD1-O 3.27Å; Y741-I748 HydrophobicContact CE1-CB 3.66Å; Y741-I748 HydrophobicContact CE1-CG2 3.62Å; Y741-I748 HydrophobicContact CE2-CB 4.02Å; Y741-I748 HydrophobicContact CE2-CD1 3.77Å; Y741-I748 HydrophobicContact CE2-CG1 4.41Å; Y741-I748 HydrophobicContact CE2-CG2 4.41Å; Y741-I748 PolarHBondContact N-O 2.79Å; Y741-I748 VanDerWaalsContact N-O 3.17Å; Y741-I748 PolarHBondContact O-N 2.92Å; Y741-I748 VanDerWaalsContact OH-CG2 3.31Å; Y741-I748 WeakPolarHBondContact OH-CG2 3.39Å; I743-I748 HydrophobicContact CB-CD1 4.13Å; I743-I748 HydrophobicContact CD1-CD1 4.01Å; I743-I748 HydrophobicContact CG1-CD1 4.15Å
749F82.8Confident83Confident61 Ų6149.3 Ų49.327%0.26824%0.237SC..EExtended strand (participates in β ladder)trans-106.4118.9176.5-59.8-100000107.6L689 F691 V709 V739 I740 L747L689-F749 HydrophobicContact CD2-CE1 3.93Å; F691-F749 HydrophobicContact CD1-CZ 4.13Å; F691-F749 HydrophobicContact CE1-CE1 4.42Å; F691-F749 HydrophobicContact CE1-CE2 4.25Å; F691-F749 AromaticContact CE1-CZ 3.57Å; F691-F749 HydrophobicContact CE1-CZ 3.57Å; F691-F749 HydrophobicContact CE2-CZ 4.48Å; F691-F749 HydrophobicContact CZ-CE2 4.1Å; F691-F749 AromaticContact CZ-CZ 3.76Å; F691-F749 HydrophobicContact CZ-CZ 3.76Å; V709-F749 HydrophobicContact CG2-CE2 4.38Å; V709-F749 HydrophobicContact CG2-CZ 4.29Å; V739-F749 WeakPolarHBondContact O-CA 3.43Å; I740-F749 HydrophobicContact CD1-CD1 4.13Å; I740-F749 HydrophobicContact CD1-CE1 3.71Å; I740-F749 HydrophobicContact CG1-CD1 3.78Å; I740-F749 HydrophobicContact CG1-CE1 3.84Å; I740-F749 HydrophobicContact CG2-CD1 4.31Å; I740-F749 HydrophobicContact CG2-CE1 4.04Å; I740-F749 HydrophobicContact CG2-CZ 4.25Å; L747-F749 HydrophobicContact CB-CE2 4.16Å
750A79.4Confident83.2Confident12 Ų1249.3 Ų49.310%0.09924%0.237CC..EExtended strand (participates in β ladder)trans-125119.7-177.800000110.1I416 C738 V739 Y741I416-A750 HydrophobicContact CD1-CB 3.54Å; I416-A750 HydrophobicContact CG1-CB 3.97Å; C738-A750 CarbonylContact C-O 3.59Å; C738-A750 VanDerWaalsContact CA-O 3.28Å; C738-A750 WeakPolarHBondContact CA-O 3.35Å; C738-A750 WeakPolarHBondContact CB-O 3.49Å; V739-A750 PolarHBondContact N-O 2.95Å; V739-A750 PolarHBondContact O-N 3.33Å; Y741-A750 HydrophobicContact CE1-CB 3.9Å
751N80.4Confident83.4Confident90 Ų9049.5 Ų49.548%0.48124%0.238SC..EExtended strand (participates in β ladder)trans-67.2152.3-179.9-63-27.2000110.8G415 I416G415-N751 CarbonylContact C-O 3.58Å; G415-N751 WeakPolarHBondContact CA-O 3.35Å; I416-N751 PolarHBondContact N-O 3.43Å
752L82.2Confident83.7Confident9 Ų950.7 Ų50.75%0.04725%0.248CC..BIsolated β-bridgetrans-101.4150.2174.8-73.7156.8000110.6I416 I418 F731 P737 V739 L754I416-L752 HydrophobicContact CB-CD2 3.89Å; I416-L752 HydrophobicContact CG2-CD2 4.14Å; I418-L752 HydrophobicContact CD1-CD2 3.85Å; I418-L752 HydrophobicContact CG1-CD2 4.17Å; F731-L752 HydrophobicContact CD2-CD1 4.17Å; F731-L752 HydrophobicContact CE1-CD1 4.03Å; F731-L752 HydrophobicContact CE2-CD1 3.33Å; F731-L752 HydrophobicContact CZ-CD1 3.24Å; P737-L752 HydrophobicContact CB-CB 4.42Å; P737-L752 HydrophobicContact CB-CD1 4.2Å; P737-L752 HydrophobicContact CG-CB 4.25Å; P737-L752 PolarHBondContact O-N 2.81Å; V739-L752 HydrophobicContact CG2-CD1 3.92Å; V739-L752 HydrophobicContact CG2-CD2 4.12Å; V739-L752 HydrophobicContact CG2-CG 4.06Å; L752-L754 PolarHBondContact O-N 2.77Å
753N78.1Confident84Confident27 Ų2750.3 Ų50.314%0.14425%0.245CC..SBendtrans-7736.3-179.3-61.4-29.8000113.5Q394 G415 I416 H792Q394-N753 PolarHBondContact NE2-OD1 2.99Å; G415-N753 PolarHBondContact O-ND2 3.15Å; G415-N753 VanDerWaalsContact O-ND2 3.09Å; G415-N753 PolarHBondContact O-OD1 2.87Å; I416-N753 VanDerWaalsContact O-CG 3.3Å; I416-N753 PolarHBondContact O-N 2.99Å; I416-N753 PolarHBondContact O-ND2 2.73Å; N753-H792 WeakPolarHBondContact ND2-CB 3.18Å
754L80.6Confident84.8Confident33 Ų3349.7 Ų49.717%0.17324%0.243CC..  trans-124.4146.6-179.8-68.5177.8000110.7I418 P737 L752 V757 L774I418-L754 HydrophobicContact CG1-CD1 3.92Å; I418-L754 HydrophobicContact CG1-CG 4.41Å; P737-L754 WeakPolarHBondContact CD-O 3.12Å; P737-L754 HydrophobicContact CG-CB 4.11Å; P737-L754 VanDerWaalsContact CG-O 3.3Å; P737-L754 WeakPolarHBondContact CG-O 3.23Å; L752-L754 PolarHBondContact O-N 2.77Å; L754-V757 HydrophobicContact CB-CG2 4.33Å; L754-V757 HydrophobicContact CD1-CG2 3.88Å; L754-L774 HydrophobicContact CD1-CD1 3.79Å
755K81.1Confident85.5Confident176 Ų17642 Ų4277%0.76521%0.21SC*.SBendtrans-73.8-43.4-177.1-69.1178.7-178.4167.70113.5N735N735-K755 CarbonylContact C-O 3.48Å
756E88.6Confident86.1Confident66 Ų6644.9 Ų44.931%0.30823%0.225SC..  trans-157.2130.2-175.7-175.5172.2-175.900109.4S734 N735 P777S734-E756 WeakPolarHBondContact O-CA 3.23Å; N735-E756 HydrophobicContact CB-CG 4.33Å; E756-P777 HydrophobicContact CB-CG 4.11Å; E756-P777 HydrophobicContact CG-CG 3.95Å; E756-P777 VanDerWaalsContact OE2-CG 3.25Å; E756-P777 WeakPolarHBondContact OE2-CG 3.46Å
757V92.4Very high86.7Confident0 Ų046.3 Ų46.30%023%0.231CC..  trans-125.2118.2171.3177.60000106.9F731 C733 S734 P737 L754 F759 L774 V775F731-V757 HydrophobicContact CE1-CB 4.26Å; F731-V757 HydrophobicContact CE1-CG1 3.9Å; F731-V757 HydrophobicContact CZ-CG1 4.3Å; F731-V757 HydrophobicContact CZ-CG2 4.42Å; C733-V757 CarbonylContact C-O 3.52Å; C733-V757 VanDerWaalsContact C-O 3.25Å; C733-V757 WeakPolarHBondContact CA-O 3.45Å; C733-V757 HydrophobicContact CB-CG1 4.23Å; C733-V757 VanDerWaalsContact CB-O 3.23Å; C733-V757 WeakPolarHBondContact CB-O 3.38Å; S734-V757 PolarHBondContact N-O 3.12Å; S734-V757 PolarHBondContact O-N 2.73Å; P737-V757 HydrophobicContact CB-CB 4.12Å; P737-V757 HydrophobicContact CB-CG2 3.98Å; P737-V757 HydrophobicContact CG-CG2 4.11Å; L754-V757 HydrophobicContact CB-CG2 4.33Å; L754-V757 HydrophobicContact CD1-CG2 3.88Å; V757-F759 VanDerWaalsContact CG1-O 3.24Å; V757-F759 WeakPolarHBondContact CG1-O 3.44Å; V757-L774 HydrophobicContact CG1-CD2 3.81Å; V757-L774 HydrophobicContact CG2-CD2 4.25Å; V757-V775 CarbonylContact C-O 3.5Å; V757-V775 WeakPolarHBondContact CA-O 3.43Å
758N92.7Very high86.8Confident42 Ų4245.7 Ų45.723%0.22523%0.227CC..SBendtrans-84.1-33178.6-75.5-56.7000112.5V775N758-V775 HydrophobicContact CB-CG1 4.32Å; N758-V775 PolarHBondContact N-O 2.81Å
759F94.3Very high87Confident18 Ų1846.9 Ų46.98%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-151.5152.4-178.1-153.1-90.1000110.6A432 W433 F718 C733 V757 V775A432-F759 WeakPolarHBondContact O-CE1 3.1Å; W433-F759 HydrophobicContact CZ2-CZ 4.1Å; W433-F759 AromaticContact NE1-CZ 3.91Å; F718-F759 AromaticContact CD1-CD2 3.85Å; F718-F759 HydrophobicContact CD1-CD2 3.85Å; F718-F759 AromaticContact CD1-CE2 3.89Å; F718-F759 HydrophobicContact CD1-CE2 3.89Å; F718-F759 HydrophobicContact CD1-CG 4.3Å; F718-F759 HydrophobicContact CD1-CZ 4.34Å; F718-F759 HydrophobicContact CD2-CD2 4.4Å; F718-F759 HydrophobicContact CD2-CE2 4.04Å; F718-F759 HydrophobicContact CE1-CD1 4.36Å; F718-F759 AromaticContact CE1-CD2 3.89Å; F718-F759 HydrophobicContact CE1-CD2 3.89Å; F718-F759 AromaticContact CE1-CE1 3.97Å; F718-F759 HydrophobicContact CE1-CE1 3.97Å; F718-F759 AromaticContact CE1-CE2 3.49Å; F718-F759 HydrophobicContact CE1-CE2 3.49Å; F718-F759 VanDerWaalsContact CE1-CE2 3.49Å; F718-F759 HydrophobicContact CE1-CG 4.31Å; F718-F759 AromaticContact CE1-CZ 3.54Å; F718-F759 HydrophobicContact CE1-CZ 3.54Å; F718-F759 HydrophobicContact CE2-CD2 4.45Å; F718-F759 AromaticContact CE2-CE2 3.68Å; F718-F759 HydrophobicContact CE2-CE2 3.68Å; F718-F759 HydrophobicContact CE2-CZ 4.15Å; F718-F759 HydrophobicContact CG-CD2 4.12Å; F718-F759 HydrophobicContact CG-CE2 4.14Å; F718-F759 HydrophobicContact CZ-CD2 4.21Å; F718-F759 HydrophobicContact CZ-CE1 4.28Å; F718-F759 AromaticContact CZ-CE2 3.39Å; F718-F759 HydrophobicContact CZ-CE2 3.39Å; F718-F759 AromaticContact CZ-CZ 3.43Å; F718-F759 HydrophobicContact CZ-CZ 3.43Å; F718-F759 VanDerWaalsContact CZ-CZ 3.43Å; C733-F759 VanDerWaalsContact SG-C 3.57Å; V757-F759 VanDerWaalsContact CG1-O 3.24Å; V757-F759 WeakPolarHBondContact CG1-O 3.44Å; F759-V775 HydrophobicContact CB-CB 3.8Å; F759-V775 HydrophobicContact CB-CG2 3.89Å; F759-V775 PolarHBondContact N-O 2.85Å; F759-V775 PolarHBondContact O-N 2.81Å
760M94.5Very high87.2Confident0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-141.6141.6176.3176-86.4174.300109.5R720 W722 F731 C733 I772 A773 L774R720-M760 HydrophobicContact CB-SD 3.83Å; R720-M760 WeakPolarHBondContact CG-O 3.39Å; R720-M760 HydrophobicContact CG-SD 3.67Å; W722-M760 HydrophobicContact CB-CE 3.82Å; W722-M760 HydrophobicContact CD2-CE 4.19Å; W722-M760 HydrophobicContact CG-CE 3.89Å; F731-M760 HydrophobicContact CB-CG 4.3Å; F731-M760 HydrophobicContact CB-SD 3.99Å; F731-M760 HydrophobicContact CD1-CB 3.88Å; F731-M760 HydrophobicContact CD1-CG 4.06Å; F731-M760 HydrophobicContact CD2-CE 4.44Å; F731-M760 HydrophobicContact CD2-CG 3.88Å; F731-M760 HydrophobicContact CD2-SD 4.36Å; F731-M760 HydrophobicContact CE1-CB 4.1Å; F731-M760 HydrophobicContact CE1-CG 4.34Å; F731-M760 HydrophobicContact CE2-CG 4.15Å; F731-M760 HydrophobicContact CG-CB 4.15Å; F731-M760 HydrophobicContact CG-CG 3.82Å; F731-M760 HydrophobicContact CG-SD 4.16Å; F731-M760 HydrophobicContact CZ-CG 4.37Å; C733-M760 WeakPolarHBondContact SG-CB 3.26Å; C733-M760 PolarHBondContact SG-N 2.91Å; M760-I772 HydrophobicContact CE-CB 3.61Å; M760-I772 HydrophobicContact CE-CD1 4.19Å; M760-I772 HydrophobicContact CE-CG2 3.27Å; M760-I772 HydrophobicContact CG-CD1 4.42Å; M760-A773 WeakPolarHBondContact CA-O 3.44Å; M760-L774 HydrophobicContact CB-CD2 4.08Å; M760-L774 HydrophobicContact CG-CD2 3.89Å
761T94.5Very high87.7Confident4 Ų448.7 Ų48.73%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-136.1144.7166.8-176.80000109.9A432 C434 I772 A773A432-T761 HydrophobicContact CB-CG2 4.47Å; A432-T761 WeakPolarHBondContact O-CB 3.42Å; A432-T761 WeakPolarHBondContact O-CG2 3.41Å; C434-T761 VanDerWaalsContact SG-CG2 3.59Å; T761-I772 WeakPolarHBondContact O-CA 3.48Å; T761-A773 HydrophobicContact CG2-CB 3.84Å; T761-A773 PolarHBondContact N-O 3.39Å; T761-A773 PolarHBondContact O-N 2.65Å
762P94.2Very high88.4Confident45 Ų4544.4 Ų44.429%0.29223%0.228SC..EExtended strand (participates in β ladder)trans-60.3152162.326.9-34.5000110.9C434 W722C434-P762 WeakPolarHBondContact CB-O 3.39Å; W722-P762 HydrophobicContact CB-CB 4.32Å
763L92.6Very high89Confident1 Ų144 Ų441%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-138.5117.9172.3170.966.6000108.4C434 D443 L459 Y768 C771 I782C434-L763 HydrophobicContact CB-CB 4.39Å; C434-L763 HydrophobicContact CB-CD1 3.8Å; D443-L763 HydrophobicContact CB-CD1 3.67Å; L459-L763 HydrophobicContact CD1-CD1 3.51Å; L459-L763 HydrophobicContact CD1-CD2 4.11Å; L459-L763 HydrophobicContact CD1-CG 4.44Å; L763-Y768 HydrophobicContact CD2-CD2 4.47Å; L763-Y768 HydrophobicContact CD2-CG 4.15Å; L763-C771 CarbonylContact C-O 3.6Å; L763-C771 HydrophobicContact CB-CB 4.33Å; L763-C771 HydrophobicContact CD2-CB 4.35Å; L763-C771 HydrophobicContact CG-CB 4.47Å; L763-C771 PolarHBondContact N-O 3.11Å; L763-C771 CarbonylContact O-C 3.6Å; L763-C771 WeakPolarHBondContact O-CA 3.23Å; L763-C771 PolarHBondContact O-N 3.48Å; L763-I782 HydrophobicContact CD2-CD1 4.3Å; L763-I782 HydrophobicContact CD2-CG1 4.42Å; L763-I782 HydrophobicContact CD2-CG2 3.59Å
764N89.7Confident89.8Confident62 Ų6242.7 Ų42.733%0.33222%0.219SC..  trans-119.973.8172.7-171.749.8000110.6F442 D443 D770F442-N764 WeakPolarHBondContact CA-O 3.44Å; D443-N764 PolarHBondContact N-O 2.97Å; D443-N764 PolarHBondContact OD2-N 2.79Å; N764-D770 PolarHBondContact OD1-N 2.78Å; N764-D770 VanDerWaalsContact OD1-N 3.12Å
765G87Confident90.5Very high2 Ų241.1 Ų41.12%0.02121%0.211CC..  trans-82.9172.7176.400000112.8D443 Y768 S769D443-G765 VanDerWaalsContact O-CA 3.28Å; D443-G765 WeakPolarHBondContact O-CA 3.42Å; G765-Y768 PolarHBondContact N-O 3.44Å; G765-Y768 CarbonylContact O-C 3.57Å; G765-S769 PolarHBondContact O-N 2.85Å
766L85.3Confident91Very high125 Ų12533.5 Ų33.565%0.65418%0.179SC*.SBendtrans-66.3-44177.7-179.365.3000112F442F442-L766 HydrophobicContact CD2-CB 4.41Å; F442-L766 HydrophobicContact CD2-CD1 4.12Å; F442-L766 HydrophobicContact CE2-CD1 3.79Å; F442-L766 HydrophobicContact CG-CB 4.33Å; F442-L766 HydrophobicContact CZ-CD1 4.02Å
767F85.5Confident91Very high124 Ų12433 Ų3354%0.54418%0.181SC..SBendtrans-87.1-42.9174.2-173.1-96.9000111.4D461 D462 S769D461-F767 WeakPolarHBondContact O-CB 3.38Å; D461-F767 WeakPolarHBondContact O-CG 3.38Å; D462-F767 HydrophobicContact CB-CZ 4.42Å; F767-S769 PolarHBondContact O-N 2.9Å
768Y86.7Confident90.8Very high11 Ų1137 Ų374%0.04321%0.206CC..SBendtrans-90.865.1179.2-57-75.6000111.9H421 A422 L763 G765 I782H421-Y768 HydrophobicContact CB-CD1 4.24Å; H421-Y768 HydrophobicContact CB-CE1 3.97Å; A422-Y768 HydrophobicContact CB-CE1 4.43Å; L763-Y768 HydrophobicContact CD2-CD2 4.47Å; L763-Y768 HydrophobicContact CD2-CG 4.15Å; G765-Y768 PolarHBondContact N-O 3.44Å; G765-Y768 CarbonylContact O-C 3.57Å; Y768-I782 HydrophobicContact CD1-CG2 3.6Å; Y768-I782 HydrophobicContact CE1-CG2 4Å; Y768-I782 HydrophobicContact CG-CG2 4.03Å
769S85.4Confident90.8Very high77 Ų7735.1 Ų35.154%0.53820%0.197SC..THydrogen-bonded Turntrans-73.1136.9179.7620000112.8G765 F767 C771G765-S769 PolarHBondContact O-N 2.85Å; F767-S769 PolarHBondContact O-N 2.9Å; S769-C771 PolarHBondContact O-N 2.82Å; S769-C771 VanDerWaalsContact O-N 3.1Å
770D85.3Confident90.8Very high105 Ų10534.3 Ų34.356%0.56119%0.193SC*.THydrogen-bonded Turntrans49.830.3-179.3-83.2-14000114.3N764N764-D770 PolarHBondContact OD1-N 2.78Å; N764-D770 VanDerWaalsContact OD1-N 3.12Å
771C91Very high90.8Very high6 Ų634.9 Ų34.94%0.04120%0.196CC..EExtended strand (participates in β ladder)trans-87.4172.3180-78.30000112.8L763 S769 I782L763-C771 CarbonylContact C-O 3.6Å; L763-C771 HydrophobicContact CB-CB 4.33Å; L763-C771 HydrophobicContact CD2-CB 4.35Å; L763-C771 HydrophobicContact CG-CB 4.47Å; L763-C771 PolarHBondContact N-O 3.11Å; L763-C771 CarbonylContact O-C 3.6Å; L763-C771 WeakPolarHBondContact O-CA 3.23Å; L763-C771 PolarHBondContact O-N 3.48Å; S769-C771 PolarHBondContact O-N 2.82Å; S769-C771 VanDerWaalsContact O-N 3.1Å; C771-I782 HydrophobicContact CB-CG2 4.48Å
772I94Very high90.7Very high0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-131.9145.1170.766.2164.5000110.1I418 F731 M760 T761 L774 G783 V785I418-I772 HydrophobicContact CD1-CD1 4.08Å; F731-I772 HydrophobicContact CD2-CD1 4.32Å; F731-I772 HydrophobicContact CE2-CD1 3.82Å; M760-I772 HydrophobicContact CE-CB 3.61Å; M760-I772 HydrophobicContact CE-CD1 4.19Å; M760-I772 HydrophobicContact CE-CG2 3.27Å; M760-I772 HydrophobicContact CG-CD1 4.42Å; T761-I772 WeakPolarHBondContact O-CA 3.48Å; I772-L774 HydrophobicContact CD1-CD1 3.95Å; I772-L774 HydrophobicContact CD1-CD2 3.77Å; I772-L774 HydrophobicContact CD1-CG 3.86Å; I772-L774 HydrophobicContact CG1-CD1 4.31Å; I772-L774 HydrophobicContact CG1-CG 4.17Å; I772-G783 WeakPolarHBondContact CG1-O 3.37Å; I772-G783 PolarHBondContact N-O 3.45Å; I772-G783 PolarHBondContact O-N 2.81Å; I772-V785 HydrophobicContact CD1-CG2 3.45Å; I772-V785 VanDerWaalsContact CD1-CG2 3.45Å; I772-V785 HydrophobicContact CG1-CG2 4Å; I772-V785 HydrophobicContact CG2-CG2 4.36Å
773A95Very high90.6Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-105126.4170.800000109.6M760 T761 L780 I781M760-A773 WeakPolarHBondContact CA-O 3.44Å; T761-A773 HydrophobicContact CG2-CB 3.84Å; T761-A773 PolarHBondContact N-O 3.39Å; T761-A773 PolarHBondContact O-N 2.65Å; A773-L780 HydrophobicContact CB-CD1 4.31Å; A773-I781 CarbonylContact C-O 3.57Å; A773-I781 WeakPolarHBondContact CA-O 3.08Å
774L95.1Very high90.4Very high0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-118.9123.7-170.5-68.7167.2000109.9I418 F731 L754 V757 M760 I772 L780 I781I418-L774 HydrophobicContact CD1-CD1 4.16Å; I418-L774 HydrophobicContact CG1-CD1 4.06Å; I418-L774 HydrophobicContact CG2-CD1 4.02Å; F731-L774 HydrophobicContact CE1-CD2 4.13Å; F731-L774 HydrophobicContact CE2-CD2 3.79Å; F731-L774 HydrophobicContact CZ-CD2 3.39Å; L754-L774 HydrophobicContact CD1-CD1 3.79Å; V757-L774 HydrophobicContact CG1-CD2 3.81Å; V757-L774 HydrophobicContact CG2-CD2 4.25Å; M760-L774 HydrophobicContact CB-CD2 4.08Å; M760-L774 HydrophobicContact CG-CD2 3.89Å; I772-L774 HydrophobicContact CD1-CD1 3.95Å; I772-L774 HydrophobicContact CD1-CD2 3.77Å; I772-L774 HydrophobicContact CD1-CG 3.86Å; I772-L774 HydrophobicContact CG1-CD1 4.31Å; I772-L774 HydrophobicContact CG1-CG 4.17Å; L774-L780 WeakPolarHBondContact O-CA 3.45Å; L774-I781 HydrophobicContact CB-CB 4.33Å; L774-I781 PolarHBondContact N-O 2.65Å; L774-I781 PolarHBondContact O-N 2.83Å
775V94.9Very high90Very high0 Ų032 Ų320%018%0.181CC..EExtended strand (participates in β ladder)trans-95.2113.7174.4178.30000109.1I429 A432 V757 N758 F759 L780I429-V775 HydrophobicContact CB-CG1 3.59Å; I429-V775 HydrophobicContact CG2-CB 4.32Å; I429-V775 HydrophobicContact CG2-CG1 3.56Å; I429-V775 HydrophobicContact CG2-CG2 3.73Å; A432-V775 HydrophobicContact CB-CG2 3.74Å; V757-V775 CarbonylContact C-O 3.5Å; V757-V775 WeakPolarHBondContact CA-O 3.43Å; N758-V775 HydrophobicContact CB-CG1 4.32Å; N758-V775 PolarHBondContact N-O 2.81Å; F759-V775 HydrophobicContact CB-CB 3.8Å; F759-V775 HydrophobicContact CB-CG2 3.89Å; F759-V775 PolarHBondContact N-O 2.85Å; F759-V775 PolarHBondContact O-N 2.81Å; V775-L780 HydrophobicContact CG2-CD1 3.81Å
776T91.9Very high89.3Confident15 Ų1534.1 Ų34.19%0.09219%0.192CC..  trans-93.9176.7169.171.40000109.9T778 A779 I781T776-T778 PolarHBondContact O-N 2.81Å; T776-T778 PolarHBondContact OG1-N 3.39Å; T776-A779 PolarHBondContact N-O 3.37Å; T776-A779 PolarHBondContact OG1-N 2.83Å; T776-A779 PolarHBondContact OG1-O 3.36Å; T776-I781 HydrophobicContact CG2-CD1 3.7Å; T776-I781 HydrophobicContact CG2-CG1 4.36Å
777P88.3Confident88.3Confident55 Ų5533.7 Ų33.736%0.35719%0.187SC..SBendtrans-61.4-24173.8-2635.9000115E756E756-P777 HydrophobicContact CB-CG 4.11Å; E756-P777 HydrophobicContact CG-CG 3.95Å; E756-P777 VanDerWaalsContact OE2-CG 3.25Å; E756-P777 WeakPolarHBondContact OE2-CG 3.46Å
778T88.6Confident87.1Confident84 Ų8429.9 Ų29.952%0.51517%0.172SC..SBendtrans-122.1-14-170.654.70000115.2Q426 D427 T776Q426-T778 CarbonylContact C-O 3.47Å; Q426-T778 PolarHBondContact N-O 2.88Å; Q426-T778 CarbonylContact O-C 3.6Å; D427-T778 WeakPolarHBondContact OD1-CA 3.43Å; T776-T778 PolarHBondContact O-N 2.81Å; T776-T778 PolarHBondContact OG1-N 3.39Å
779A92.9Very high85.7Confident4 Ų433.9 Ų33.93%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-155.8153.7-173.900000113.5T423 I424 T776T423-A779 HydrophobicContact CG2-CB 3.86Å; I424-A779 CarbonylContact O-C 3.57Å; I424-A779 VanDerWaalsContact O-CA 3.23Å; I424-A779 WeakPolarHBondContact O-CA 3.49Å; I424-A779 WeakPolarHBondContact O-CB 3.29Å; T776-A779 PolarHBondContact N-O 3.37Å; T776-A779 PolarHBondContact OG1-N 2.83Å; T776-A779 PolarHBondContact OG1-O 3.36Å
780L94.1Very high84.8Confident0 Ų035.9 Ų35.90%019%0.19CC..EExtended strand (participates in β ladder)trans-94.1119.2162.2178.370.1000108.8I424 I429 A432 I446 V448 A773 L774 V775I424-L780 HydrophobicContact CB-CB 4.38Å; I424-L780 HydrophobicContact CD1-CD2 4.29Å; I424-L780 PolarHBondContact N-O 3.42Å; I424-L780 PolarHBondContact O-N 2.76Å; I429-L780 HydrophobicContact CD1-CB 3.93Å; A432-L780 HydrophobicContact CB-CD1 4.07Å; I446-L780 HydrophobicContact CD1-CD2 4.41Å; I446-L780 HydrophobicContact CG2-CD2 4.26Å; V448-L780 HydrophobicContact CG2-CD2 3.96Å; A773-L780 HydrophobicContact CB-CD1 4.31Å; L774-L780 WeakPolarHBondContact O-CA 3.45Å; V775-L780 HydrophobicContact CG2-CD1 3.81Å
781I94.5Very high84.4Confident13 Ų1331.2 Ų31.27%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-108.6133.8-179.8-57.9173.6000108.6E420 T423 A773 L774 T776E420-I781 HydrophobicContact CB-CG2 4.18Å; E420-I781 HydrophobicContact CG-CG2 3.81Å; T423-I781 HydrophobicContact CG2-CG1 4.12Å; A773-I781 CarbonylContact C-O 3.57Å; A773-I781 WeakPolarHBondContact CA-O 3.08Å; L774-I781 HydrophobicContact CB-CB 4.33Å; L774-I781 PolarHBondContact N-O 2.65Å; L774-I781 PolarHBondContact O-N 2.83Å; T776-I781 HydrophobicContact CG2-CD1 3.7Å; T776-I781 HydrophobicContact CG2-CG1 4.36Å
782I93.7Very high84Confident0 Ų032.8 Ų32.80%017%0.171CC..EExtended strand (participates in β ladder)trans-107.1125.9169.5-59.4173.1000107.3H421 A422 I446 L459 I464 L763 Y768 C771H421-I782 PolarHBondContact N-O 3.36Å; A422-I782 HydrophobicContact CB-CB 4.34Å; A422-I782 PolarHBondContact N-O 2.7Å; A422-I782 VanDerWaalsContact N-O 3.12Å; A422-I782 PolarHBondContact O-N 3.08Å; I446-I782 HydrophobicContact CD1-CD1 3.8Å; I446-I782 HydrophobicContact CD1-CG1 4.34Å; L459-I782 HydrophobicContact CD2-CD1 4.23Å; I464-I782 HydrophobicContact CD1-CD1 3.92Å; L763-I782 HydrophobicContact CD2-CD1 4.3Å; L763-I782 HydrophobicContact CD2-CG1 4.42Å; L763-I782 HydrophobicContact CD2-CG2 3.59Å; Y768-I782 HydrophobicContact CD1-CG2 3.6Å; Y768-I782 HydrophobicContact CE1-CG2 4Å; Y768-I782 HydrophobicContact CG-CG2 4.03Å; C771-I782 HydrophobicContact CB-CG2 4.48Å
783G91.2Very high83.6Confident0 Ų034.2 Ų34.20%018%0.18CC..EExtended strand (participates in β ladder)trans-160.4165.2-178.700000113.2H419 I772H419-G783 CarbonylContact O-C 3.59Å; H419-G783 WeakPolarHBondContact O-CA 3.39Å; I772-G783 WeakPolarHBondContact CG1-O 3.37Å; I772-G783 PolarHBondContact N-O 3.45Å; I772-G783 PolarHBondContact O-N 2.81Å
784S88.1Confident83.2Confident32 Ų3239.2 Ų39.222%0.22420%0.199CC..EExtended strand (participates in β ladder)trans-93.9147.1167.451.10000110.3H419 H421H419-S784 PolarHBondContact N-O 3.28Å; H419-S784 PolarHBondContact O-N 2.8Å; H421-S784 PolarHBondContact NE2-N 2.67Å; H421-S784 PolarHBondContact NE2-OG 3.08Å
785V82.2Confident83Confident19 Ų1941.7 Ų41.712%0.11521%0.214CC..EExtended strand (participates in β ladder)trans-80131.4169.8-171.70000107.6I416 I418 W722 I772I416-V785 HydrophobicContact CG2-CG1 3.56Å; I418-V785 HydrophobicContact CD1-CB 4.3Å; I418-V785 HydrophobicContact CD1-CG1 4.36Å; I418-V785 HydrophobicContact CD1-CG2 3.86Å; W722-V785 HydrophobicContact CZ2-CG1 4.5Å; W722-V785 HydrophobicContact CZ2-CG2 4.02Å; I772-V785 HydrophobicContact CD1-CG2 3.45Å; I772-V785 VanDerWaalsContact CD1-CG2 3.45Å; I772-V785 HydrophobicContact CG1-CG2 4Å; I772-V785 HydrophobicContact CG2-CG2 4.36Å
786D70.9Confident82.9Confident47 Ų4743 Ų4325%0.25122%0.221SC..PPolyproline II helixtrans-59.3165.4173.6-74-16.8000111.4I416 G417 I788 H792I416-D786 HydrophobicContact CG2-CB 4.27Å; G417-D786 WeakPolarHBondContact CA-OD2 3.15Å; G417-D786 PolarHBondContact O-N 2.84Å; D786-I788 PolarHBondContact O-N 3.39Å; D786-H792 IonicContact OD2-CE1 3.79Å; D786-H792 PolarHBondContact OD2-CE1 2.93Å; D786-H792 IonicContact OD2-CG 3.21Å; D786-H792 IonicContact OD2-ND1 3.81Å; D786-H792 PolarHBondContact OD2-ND1 3.41Å
787E64.6Low83Confident115 Ų11546.7 Ų46.754%0.53725%0.245SC..PPolyproline II helixtrans-53.8136.6167.7-161.6-173.6-131.500109.8Q789E787-Q789 VanDerWaalsContact C-N 3.28Å; E787-Q789 PolarHBondContact O-N 3.27Å; E787-Q789 PolarHBondContact OE2-NE2 2.82Å
788I59.9Low83.4Confident45 Ų4544.1 Ų44.123%0.23123%0.229CC..  trans-75.382.5-167.3-59.7174.1000110.2I416 V739 Y741 D786I416-I788 HydrophobicContact CD1-CB 4.48Å; I416-I788 HydrophobicContact CD1-CG1 4.34Å; I416-I788 HydrophobicContact CD1-CG2 3.81Å; I416-I788 HydrophobicContact CG1-CG2 4.27Å; V739-I788 HydrophobicContact CG1-CD1 4.34Å; Y741-I788 HydrophobicContact CD1-CG2 3.8Å; Y741-I788 HydrophobicContact CD2-CG2 4.26Å; Y741-I788 HydrophobicContact CE1-CG2 3.3Å; Y741-I788 HydrophobicContact CE2-CG2 3.8Å; Y741-I788 HydrophobicContact CG-CD1 4.37Å; Y741-I788 HydrophobicContact CG-CG2 4.24Å; D786-I788 PolarHBondContact O-N 3.39Å
789Q58.7Low83.7Confident95 Ų9543.5 Ų43.544%0.44422%0.22SC..  trans-109.2151.3177.8-59.2-174.89.600110.1E787 L791E787-Q789 VanDerWaalsContact C-N 3.28Å; E787-Q789 PolarHBondContact O-N 3.27Å; E787-Q789 PolarHBondContact OE2-NE2 2.82Å; Q789-L791 VanDerWaalsContact C-N 3.31Å; Q789-L791 PolarHBondContact O-N 2.91Å
790K66.4Low83.9Confident119 Ų11943.4 Ų43.452%0.51722%0.219SC..SBendtrans-65-34.7177-78.4-169.8175.3-172.70112.5N414 G415N414-K790 PolarHBondContact OD1-O 2.98Å; G415-K790 PolarHBondContact N-O 2.87Å
791L76.5Confident84.1Confident7 Ų743.8 Ų43.84%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-119123.6-178.2-61.5-178.8000109.6Q10 I412 R413 N414 Q789 L1196Q10-L791 HydrophobicContact CB-CD1 3.83Å; Q10-L791 HydrophobicContact CG-CD1 4.44Å; I412-L791 HydrophobicContact CG2-CB 4.32Å; I412-L791 HydrophobicContact CG2-CD1 4.24Å; R413-L791 CarbonylContact O-C 3.54Å; R413-L791 WeakPolarHBondContact O-CA 3.29Å; N414-L791 HydrophobicContact CB-CD2 3.81Å; Q789-L791 VanDerWaalsContact C-N 3.31Å; Q789-L791 PolarHBondContact O-N 2.91Å; L791-L1196 HydrophobicContact CD2-CD1 3.93Å
792H82Confident84.3Confident38 Ų3843.1 Ų43.118%0.17622%0.218CC..EExtended strand (participates in β ladder)trans-89.1134.8169.1166.887.6000109.7I412 R413 G415 N753 D786I412-H792 WeakPolarHBondContact CA-O 3.32Å; R413-H792 PolarHBondContact N-O 2.87Å; R413-H792 PolarHBondContact O-N 2.95Å; G415-H792 WeakPolarHBondContact O-CB 3.24Å; G415-H792 PolarHBondContact O-N 3.35Å; N753-H792 WeakPolarHBondContact ND2-CB 3.18Å; D786-H792 IonicContact OD2-CE1 3.79Å; D786-H792 PolarHBondContact OD2-CE1 2.93Å; D786-H792 IonicContact OD2-CG 3.21Å; D786-H792 IonicContact OD2-ND1 3.81Å; D786-H792 PolarHBondContact OD2-ND1 3.41Å
793V87Confident84.4Confident31 Ų3145.6 Ų45.619%0.18823%0.228CC..EExtended strand (participates in β ladder)trans-122.4107-178.2-176.10000109.9T378 I380 R410 V411 I412T378-V793 HydrophobicContact CG2-CB 4.12Å; T378-V793 HydrophobicContact CG2-CG1 3.9Å; I380-V793 HydrophobicContact CG2-CG1 3.69Å; I380-V793 HydrophobicContact CG2-CG2 4.21Å; R410-V793 HydrophobicContact CB-CG1 3.9Å; R410-V793 HydrophobicContact CG-CG1 4.35Å; V411-V793 WeakPolarHBondContact O-CA 3.41Å; I412-V793 HydrophobicContact CG1-CG1 4.35Å; I412-V793 HydrophobicContact CG1-CG2 4.26Å; I412-V793 HydrophobicContact CG2-CG2 4.46Å
794R86.7Confident84.7Confident104 Ų10447.7 Ų47.739%0.39224%0.236SC..EExtended strand (participates in β ladder)trans-87129.2170.5179.6-178.7177.6-142.7-2.1110R410 V411 N880R410-R794 CarbonylContact C-O 3.6Å; R410-R794 WeakPolarHBondContact CA-O 3Å; V411-R794 HydrophobicContact CB-CB 4.27Å; V411-R794 PolarHBondContact N-O 2.92Å; V411-R794 PolarHBondContact O-N 2.88Å; R794-N880 PolarHBondContact NH1-O 2.75Å
795T90Very high85.1Confident52 Ų5246.6 Ų46.632%0.31923%0.228SC..EExtended strand (participates in β ladder)trans-101.3135.6-178-56.40000111.7R410R410-T795 WeakPolarHBondContact CD-OG1 3.48Å; R410-T795 PolarHBondContact NH1-OG1 3.45Å
796L92.7Very high85.8Confident28 Ų2846 Ų4615%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-123.398.4172.6-66163.6000108.1S408 L409 V411 L798 L881S408-L796 CarbonylContact C-O 3.2Å; S408-L796 VanDerWaalsContact CA-O 3.27Å; S408-L796 WeakPolarHBondContact CA-O 3.28Å; S408-L796 WeakPolarHBondContact CB-O 3.33Å; L409-L796 HydrophobicContact CB-CB 4.19Å; L409-L796 HydrophobicContact CB-CD1 4.33Å; L409-L796 PolarHBondContact N-O 3.2Å; L409-L796 PolarHBondContact O-N 2.97Å; V411-L796 HydrophobicContact CG2-CD1 4.32Å; L796-L798 PolarHBondContact O-N 2.92Å; L796-L881 HydrophobicContact CD1-CB 3.44Å; L796-L881 VanDerWaalsContact CD1-CB 3.44Å; L796-L881 HydrophobicContact CD1-CD1 3.62Å; L796-L881 HydrophobicContact CD1-CG 4.17Å
797P94.9Very high86.9Confident93 Ų9345.7 Ų45.760%0.60422%0.223SC*.EExtended strand (participates in β ladder)trans-67.7131-179.427.5-33.4000110.7
798L96.4Very high88.4Confident1 Ų140.2 Ų40.21%0.00520%0.198CC..  trans-98.9-27.2173.3-53.8175.5000111.3G407 L409 L796 E800 P802 T818 I837 F876G407-L798 WeakPolarHBondContact O-CA 3.37Å; G407-L798 WeakPolarHBondContact O-CB 3.18Å; G407-L798 PolarHBondContact O-N 2.86Å; L409-L798 HydrophobicContact CD1-CD2 4.48Å; L409-L798 HydrophobicContact CD2-CD1 4.3Å; L409-L798 HydrophobicContact CG-CD1 4.14Å; L409-L798 HydrophobicContact CG-CD2 4.2Å; L409-L798 HydrophobicContact CG-CG 4.47Å; L796-L798 PolarHBondContact O-N 2.92Å; L798-E800 HydrophobicContact CB-CG 4.1Å; L798-E800 PolarHBondContact O-N 2.88Å; L798-P802 HydrophobicContact CD1-CB 3.75Å; L798-P802 HydrophobicContact CD1-CG 4Å; L798-T818 HydrophobicContact CD1-CG2 4.09Å; L798-I837 HydrophobicContact CB-CG2 3.85Å; L798-I837 HydrophobicContact CD2-CD1 3.79Å; L798-I837 HydrophobicContact CD2-CG2 3.93Å; L798-I837 HydrophobicContact CG-CG2 4.48Å; L798-I837 WeakPolarHBondContact O-CB 3.41Å; L798-I837 WeakPolarHBondContact O-CG2 3.42Å; L798-I837 PolarHBondContact O-N 2.87Å; L798-F876 HydrophobicContact CD2-CE1 4.41Å; L798-F876 HydrophobicContact CD2-CZ 3.79Å
799E95.2Very high89.7Confident71 Ų7141.3 Ų41.333%0.33221%0.209SC..SBendtrans59.518.6-171.5-56.6-165.610900114.1Y404 G407 R834Y404-E799 CarbonylContact O-C 3.59Å; G407-E799 PolarHBondContact O-N 3.23Å; E799-R834 IonicContact OE1-CZ 2.84Å; E799-R834 IonicContact OE1-NH1 2.73Å; E799-R834 PolarHBondContact OE1-NH1 3.5Å; E799-R834 IonicContact OE1-NH2 3.57Å; E799-R834 IonicContact OE2-NH1 3.13Å
800E96.2Very high91.2Very high2 Ų243 Ų431%0.00922%0.217CC..SBendtrans-151.1152176.362.2-179.1-154.200109.4Y404 G407 L798 P802 T818 R820 S836 I837 S838Y404-E800 CarbonylContact O-C 3.33Å; Y404-E800 VanDerWaalsContact O-CA 3.3Å; Y404-E800 WeakPolarHBondContact O-CA 3.44Å; Y404-E800 PolarHBondContact O-N 3.03Å; G407-E800 WeakPolarHBondContact CA-O 3.33Å; L798-E800 HydrophobicContact CB-CG 4.1Å; L798-E800 PolarHBondContact O-N 2.88Å; E800-P802 WeakPolarHBondContact O-CD 3.3Å; E800-T818 HydrophobicContact CG-CG2 4.33Å; E800-T818 WeakPolarHBondContact OE1-CB 3.35Å; E800-T818 PolarHBondContact OE1-OG1 2.84Å; E800-R820 HydrophobicContact CB-CB 3.92Å; E800-S836 WeakPolarHBondContact OE2-CB 3.33Å; E800-S836 PolarHBondContact OE2-OG 3.28Å; E800-I837 HydrophobicContact CG-CG2 4.16Å; E800-S838 WeakPolarHBondContact OE1-CB 3.44Å; E800-S838 VanDerWaalsContact OE2-CB 3.25Å; E800-S838 WeakPolarHBondContact OE2-CB 3.36Å; E800-S838 PolarHBondContact OE2-OG 3.05Å
801T97.9Very high92.4Very high7 Ų738.6 Ų38.64%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-71.5122.5-170.7-50.10000112A403 Y404 T818 Y819A403-T801 HydrophobicContact CB-CG2 4.26Å; Y404-T801 WeakPolarHBondContact CA-OG1 3.29Å; Y404-T801 PolarHBondContact N-OG1 2.85Å; T801-T818 CarbonylContact O-C 3.56Å; T801-T818 WeakPolarHBondContact O-CA 3.47Å; T801-Y819 HydrophobicContact CG2-CD1 4.2Å; T801-Y819 HydrophobicContact CG2-CE1 3.36Å; T801-Y819 WeakPolarHBondContact CG2-OH 3.34Å; T801-Y819 PolarHBondContact N-O 2.87Å; T801-Y819 PolarHBondContact O-N 2.96Å; T801-Y819 PolarHBondContact OG1-OH 2.88Å
802P98.1Very high93.1Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-78.9133.4168.433.3-33000111C400 L798 E800 V816 T818C400-P802 HydrophobicContact CB-CB 3.75Å; C400-P802 HydrophobicContact CB-CG 3.93Å; L798-P802 HydrophobicContact CD1-CB 3.75Å; L798-P802 HydrophobicContact CD1-CG 4Å; E800-P802 WeakPolarHBondContact O-CD 3.3Å; P802-V816 HydrophobicContact CB-CG1 4.37Å; P802-T818 HydrophobicContact CB-CG2 4.46Å
803K96.7Very high93.7Very high52 Ų5239.1 Ų39.123%0.22621%0.209CC..EExtended strand (participates in β ladder)trans-100.8-52.7178.4-97.3175.7173.8144.30112.7V384 I817 Y819 E869V384-K803 VanDerWaalsContact CG1-O 3.28Å; V384-K803 WeakPolarHBondContact CG1-O 3.4Å; K803-I817 HydrophobicContact CB-CG2 4.23Å; K803-I817 PolarHBondContact N-O 3.02Å; K803-Y819 HydrophobicContact CD-CD1 3.56Å; K803-Y819 HydrophobicContact CD-CE1 3.76Å; K803-Y819 VanDerWaalsContact CE-CD1 3.49Å; K803-Y819 HydrophobicContact CG-CD1 3.81Å; K803-Y819 HydrophobicContact CG-CE1 3.76Å; K803-Y819 VanDerWaalsContact NZ-CD1 3.31Å; K803-E869 IonicContact NZ-OE2 3.85Å; K803-E869 PolarHBondContact NZ-OE2 3.46Å
804R97.2Very high94.1Very high43 Ų4337.7 Ų37.716%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-154.4157.3-175.6-74.8-159.5170.5150.4-5.1112.5D385 V816 I817 V900 I902 Y959D385-R804 HydrophobicContact CB-CB 4.47Å; D385-R804 HydrophobicContact CB-CG 4.22Å; D385-R804 VanDerWaalsContact OD2-CA 3.24Å; D385-R804 WeakPolarHBondContact OD2-CA 3.47Å; D385-R804 VanDerWaalsContact OD2-CB 3.22Å; D385-R804 WeakPolarHBondContact OD2-CB 3.5Å; D385-R804 VanDerWaalsContact OD2-CG 3.29Å; D385-R804 WeakPolarHBondContact OD2-CG 3.45Å; R804-V816 WeakPolarHBondContact O-CA 3.49Å; R804-I817 PolarHBondContact O-N 3.23Å; R804-V900 PolarHBondContact NH1-O 3.2Å; R804-I902 HydrophobicContact CB-CG2 4.02Å; R804-Y959 PolarHBondContact NH1-O 2.9Å
805L97.1Very high94.6Very high9 Ų932.7 Ų32.75%0.04718%0.181CC..EExtended strand (participates in β ladder)trans-134.2159178.953.362.9000113.3D385 V387 I398 L814 G815 V816D385-L805 PolarHBondContact OD2-N 3.33Å; V387-L805 HydrophobicContact CB-CD1 3.94Å; V387-L805 HydrophobicContact CG1-CD1 3.39Å; V387-L805 HydrophobicContact CG2-CD1 3.62Å; V387-L805 HydrophobicContact CG2-CD2 4.22Å; I398-L805 HydrophobicContact CG2-CD2 4.16Å; L805-L814 HydrophobicContact CB-CD1 4.27Å; L805-L814 HydrophobicContact CD2-CD1 4.45Å; L805-G815 CarbonylContact C-O 3.59Å; L805-G815 VanDerWaalsContact CA-O 3.23Å; L805-G815 WeakPolarHBondContact CA-O 3.44Å; L805-V816 HydrophobicContact CB-CG2 4.03Å
806A97Very high95Very high8 Ų830.2 Ų30.27%0.06617%0.166CC..EExtended strand (participates in β ladder)trans-142.9129.1173.400000110.3G815 I902 F915A806-G815 PolarHBondContact N-O 2.94Å; A806-G815 PolarHBondContact O-N 3.16Å; A806-I902 HydrophobicContact CB-CB 4.37Å; A806-I902 HydrophobicContact CB-CD1 4.03Å; A806-I902 HydrophobicContact CB-CG1 3.75Å; A806-I902 HydrophobicContact CB-CG2 4Å; A806-F915 HydrophobicContact CB-CD1 4.4Å; A806-F915 HydrophobicContact CB-CE1 4.23Å
807L94.7Very high95.3Very high39 Ų3928.9 Ų28.920%0.20416%0.159CC..EExtended strand (participates in β ladder)trans-83.3138.4172.4-170.367.4000110L389 L814 Q878 S904L389-L807 HydrophobicContact CD1-CD1 4.02Å; L389-L807 HydrophobicContact CD1-CD2 4.02Å; L807-L814 HydrophobicContact CD1-CD1 4.3Å; L807-Q878 HydrophobicContact CD1-CG 3.91Å; L807-S904 WeakPolarHBondContact O-CB 3.4Å
808Q94.3Very high95.5Very high1 Ų124.5 Ų24.51%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-128.580.8172.5-172.1170.1-74.200109.6E810 T811 S812 S813 S904 P913 F915Q808-E810 VanDerWaalsContact C-N 3.26Å; Q808-E810 PolarHBondContact O-N 2.8Å; Q808-T811 WeakPolarHBondContact CG-OG1 3.31Å; Q808-T811 PolarHBondContact NE2-OG1 2.93Å; Q808-T811 PolarHBondContact O-N 3.21Å; Q808-T811 VanDerWaalsContact O-N 3.08Å; Q808-T811 PolarHBondContact O-OG1 2.92Å; Q808-T811 VanDerWaalsContact O-OG1 3.08Å; Q808-S812 PolarHBondContact O-N 3.31Å; Q808-S812 VanDerWaalsContact O-N 3.15Å; Q808-S813 PolarHBondContact N-O 2.74Å; Q808-S813 PolarHBondContact O-N 3.08Å; Q808-S904 WeakPolarHBondContact CG-OG 3.45Å; Q808-S904 PolarHBondContact OE1-OG 3.22Å; Q808-P913 HydrophobicContact CG-CB 3.83Å; Q808-P913 HydrophobicContact CG-CG 4.01Å; Q808-F915 HydrophobicContact CB-CE1 3.89Å; Q808-F915 HydrophobicContact CB-CE2 4.25Å; Q808-F915 HydrophobicContact CB-CZ 3.55Å; Q808-F915 HydrophobicContact CG-CZ 4.44Å
809S88.4Confident95.5Very high67 Ų6725.6 Ų25.647%0.46914%0.135SC..G310 helixtrans-57-34.9-170.3-55.10000113.5T811 S812S809-T811 PolarHBondContact O-N 3.25Å; S809-S812 PolarHBondContact O-N 3.04Å; S809-S812 VanDerWaalsContact O-N 3.07Å
810E90.3Very high95.5Very high131 Ų13122.9 Ų22.961%0.61212%0.121SC*.G310 helixtrans-62.2-31.1180-57.277.9-173.600112.4Q808 P913Q808-E810 VanDerWaalsContact C-N 3.26Å; Q808-E810 PolarHBondContact O-N 2.8Å; E810-P913 HydrophobicContact CB-CG 4.06Å; E810-P913 HydrophobicContact CG-CG 4.43Å
811T91.3Very high95.4Very high26 Ų2625.7 Ų25.716%0.1613%0.134CC..G310 helixtrans-104.64.7176.356.80000112.9Q808 S809 S813 P913Q808-T811 WeakPolarHBondContact CG-OG1 3.31Å; Q808-T811 PolarHBondContact NE2-OG1 2.93Å; Q808-T811 PolarHBondContact O-N 3.21Å; Q808-T811 VanDerWaalsContact O-N 3.08Å; Q808-T811 PolarHBondContact O-OG1 2.92Å; Q808-T811 VanDerWaalsContact O-OG1 3.08Å; S809-T811 PolarHBondContact O-N 3.25Å; T811-S813 PolarHBondContact O-N 3.39Å; T811-S813 PolarHBondContact OG1-OG 2.82Å; T811-P913 HydrophobicContact CG2-CG 4.27Å
812S90.7Very high95.2Very high57 Ų5725.9 Ų25.940%0.39914%0.135SC..THydrogen-bonded Turntrans46.746.9-173.4-62.20000112.9Q808 S809 Q878Q808-S812 PolarHBondContact O-N 3.31Å; Q808-S812 VanDerWaalsContact O-N 3.15Å; S809-S812 PolarHBondContact O-N 3.04Å; S809-S812 VanDerWaalsContact O-N 3.07Å; S812-Q878 WeakPolarHBondContact O-CB 3.36Å; S812-Q878 PolarHBondContact O-N 2.87Å
813S94.5Very high94.9Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-131.4152.7-176.470.20000113.1Q808 T811 F876Q808-S813 PolarHBondContact N-O 2.74Å; Q808-S813 PolarHBondContact O-N 3.08Å; T811-S813 PolarHBondContact O-N 3.39Å; T811-S813 PolarHBondContact OG1-OG 2.82Å; S813-F876 CarbonylContact C-O 3.55Å; S813-F876 VanDerWaalsContact CA-O 3.3Å; S813-F876 WeakPolarHBondContact CA-O 3.48Å
814L96.1Very high94.6Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-119.5116.1177.2-179.175.3000108.5V387 I398 L409 L805 L807 V816 F876 L881V387-L814 HydrophobicContact CG2-CD1 4.09Å; I398-L814 HydrophobicContact CD1-CD2 4.44Å; I398-L814 HydrophobicContact CG2-CD2 4.09Å; L409-L814 HydrophobicContact CD1-CD2 4.37Å; L805-L814 HydrophobicContact CB-CD1 4.27Å; L805-L814 HydrophobicContact CD2-CD1 4.45Å; L807-L814 HydrophobicContact CD1-CD1 4.3Å; L814-V816 HydrophobicContact CD2-CG2 3.97Å; L814-V816 HydrophobicContact CG-CG2 3.98Å; L814-F876 HydrophobicContact CB-CB 4.34Å; L814-F876 PolarHBondContact N-O 3.03Å; L814-F876 PolarHBondContact O-N 2.78Å; L814-L881 HydrophobicContact CD2-CD2 3.92Å
815G97.8Very high94.2Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-88130.8170.700000110.2L805 A806 L874L805-G815 CarbonylContact C-O 3.59Å; L805-G815 VanDerWaalsContact CA-O 3.23Å; L805-G815 WeakPolarHBondContact CA-O 3.44Å; A806-G815 PolarHBondContact N-O 2.94Å; A806-G815 PolarHBondContact O-N 3.16Å; G815-L874 CarbonylContact C-O 3.46Å; G815-L874 WeakPolarHBondContact CA-O 3.41Å
816V98.5Very high93.6Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-128.7128.3179.1-174.40000109.5L409 P802 R804 L805 L814 T818 L874 F876L409-V816 HydrophobicContact CD1-CG2 4.2Å; L409-V816 HydrophobicContact CD2-CG1 4.29Å; L409-V816 HydrophobicContact CD2-CG2 4.43Å; P802-V816 HydrophobicContact CB-CG1 4.37Å; R804-V816 WeakPolarHBondContact O-CA 3.49Å; L805-V816 HydrophobicContact CB-CG2 4.03Å; L814-V816 HydrophobicContact CD2-CG2 3.97Å; L814-V816 HydrophobicContact CG-CG2 3.98Å; V816-T818 HydrophobicContact CG1-CG2 4.07Å; V816-L874 PolarHBondContact N-O 2.84Å; V816-L874 PolarHBondContact O-N 2.9Å; V816-F876 HydrophobicContact CB-CD2 4.39Å; V816-F876 HydrophobicContact CB-CE2 3.99Å; V816-F876 HydrophobicContact CG2-CD2 3.78Å; V816-F876 HydrophobicContact CG2-CE2 3.74Å
817I98.4Very high93.3Very high0 Ų042.9 Ų42.90%024%0.239CC..EExtended strand (participates in β ladder)trans-87.4128.3168.5-67.5168.3000108.7K803 R804 S872 A899 S901 I902 V917K803-I817 HydrophobicContact CB-CG2 4.23Å; K803-I817 PolarHBondContact N-O 3.02Å; R804-I817 PolarHBondContact O-N 3.23Å; I817-S872 WeakPolarHBondContact CA-O 3.23Å; I817-A899 HydrophobicContact CD1-CB 3.96Å; I817-A899 HydrophobicContact CG1-CB 4.2Å; I817-A899 HydrophobicContact CG2-CB 3.56Å; I817-S901 WeakPolarHBondContact CD1-O 3.44Å; I817-I902 HydrophobicContact CD1-CB 3.68Å; I817-I902 HydrophobicContact CD1-CG2 4.03Å; I817-I902 HydrophobicContact CG1-CB 4.22Å; I817-I902 HydrophobicContact CG1-CG2 4.38Å; I817-V917 HydrophobicContact CD1-CG1 3.93Å
818T98.4Very high92.9Very high0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-125.5168175.259.40000111.3L798 E800 T801 P802 V816 S871 S872 L874L798-T818 HydrophobicContact CD1-CG2 4.09Å; E800-T818 HydrophobicContact CG-CG2 4.33Å; E800-T818 WeakPolarHBondContact OE1-CB 3.35Å; E800-T818 PolarHBondContact OE1-OG1 2.84Å; T801-T818 CarbonylContact O-C 3.56Å; T801-T818 WeakPolarHBondContact O-CA 3.47Å; P802-T818 HydrophobicContact CB-CG2 4.46Å; V816-T818 HydrophobicContact CG1-CG2 4.07Å; T818-S871 CarbonylContact O-C 3.41Å; T818-S871 WeakPolarHBondContact O-CA 3.36Å; T818-S872 PolarHBondContact N-O 2.65Å; T818-S872 PolarHBondContact O-N 3.21Å; T818-L874 HydrophobicContact CG2-CD1 3.54Å; T818-L874 HydrophobicContact CG2-CG 4.1Å
819Y97.2Very high92.8Very high25 Ų2548.3 Ų48.310%0.09827%0.271CS..EExtended strand (participates in β ladder)trans-144.3147.2164.570.1-87.6000112.4T801 K803 E869 V870T801-Y819 HydrophobicContact CG2-CD1 4.2Å; T801-Y819 HydrophobicContact CG2-CE1 3.36Å; T801-Y819 WeakPolarHBondContact CG2-OH 3.34Å; T801-Y819 PolarHBondContact N-O 2.87Å; T801-Y819 PolarHBondContact O-N 2.96Å; T801-Y819 PolarHBondContact OG1-OH 2.88Å; K803-Y819 HydrophobicContact CD-CD1 3.56Å; K803-Y819 HydrophobicContact CD-CE1 3.76Å; K803-Y819 VanDerWaalsContact CE-CD1 3.49Å; K803-Y819 HydrophobicContact CG-CD1 3.81Å; K803-Y819 HydrophobicContact CG-CE1 3.76Å; K803-Y819 VanDerWaalsContact NZ-CD1 3.31Å; Y819-E869 HydrophobicContact CD2-CB 3.75Å; Y819-E869 HydrophobicContact CD2-CG 3.62Å; Y819-E869 WeakPolarHBondContact CD2-OE2 3.49Å; Y819-E869 HydrophobicContact CE2-CB 4.45Å; Y819-E869 HydrophobicContact CE2-CG 3.85Å; Y819-E869 WeakPolarHBondContact CE2-OE1 3.34Å; Y819-E869 WeakPolarHBondContact CE2-OE2 3.16Å; Y819-E869 HydrophobicContact CG-CB 4.34Å; Y819-V870 VanDerWaalsContact CA-O 3.25Å; Y819-V870 WeakPolarHBondContact CA-O 3.41Å
820R96Very high93Very high13 Ų1346.7 Ų46.75%0.04926%0.255CS..EExtended strand (participates in β ladder)trans-125.7151.5177.165.9179.9-177.3-79.5-14.4111.2E800 E822 S836 S838 E869 V870 S872 N888E800-R820 HydrophobicContact CB-CB 3.92Å; R820-E822 HydrophobicContact CG-CG 4.46Å; R820-E822 IonicContact CZ-OE1 2.79Å; R820-E822 IonicContact NE-OE1 3.55Å; R820-E822 PolarHBondContact NE-OE1 3.34Å; R820-E822 IonicContact NH2-OE1 3.91Å; R820-E822 PolarHBondContact NH2-OE1 2.74Å; R820-S836 WeakPolarHBondContact CD-OG 3.39Å; R820-S838 PolarHBondContact NH1-OG 3.44Å; R820-E869 CarbonylContact O-C 3.57Å; R820-E869 WeakPolarHBondContact O-CA 3.2Å; R820-V870 HydrophobicContact CG-CB 4.34Å; R820-V870 PolarHBondContact N-O 3.37Å; R820-V870 VanDerWaalsContact NH2-CG1 3.3Å; R820-V870 PolarHBondContact O-N 2.9Å; R820-S872 PolarHBondContact NH1-OG 2.86Å; R820-S872 VanDerWaalsContact NH1-OG 3.1Å; R820-N888 PolarHBondContact NH1-OD1 2.94Å; R820-N888 VanDerWaalsContact NH1-OD1 3.15Å
821Q93.3Very high93.1Very high61 Ų6143.9 Ų43.929%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-79.7130.6174.4-72.7165.1-70.200111.3V833 E867 I868Q821-V833 HydrophobicContact CB-CG2 3.94Å; Q821-V833 PolarHBondContact O-N 2.97Å; Q821-V833 VanDerWaalsContact O-N 3.08Å; Q821-E867 PolarHBondContact NE2-OE1 2.82Å; Q821-I868 WeakPolarHBondContact CA-O 3.26Å
822E93.7Very high93.2Very high11 Ų1145.2 Ų45.25%0.05125%0.25CS..EExtended strand (participates in β ladder)trans-125.1135.7167.7-52-160.1178.400111R820 F830 K831 P832 E867 I868 V870R820-E822 HydrophobicContact CG-CG 4.46Å; R820-E822 IonicContact CZ-OE1 2.79Å; R820-E822 IonicContact NE-OE1 3.55Å; R820-E822 PolarHBondContact NE-OE1 3.34Å; R820-E822 IonicContact NH2-OE1 3.91Å; R820-E822 PolarHBondContact NH2-OE1 2.74Å; E822-F830 HydrophobicContact CB-CB 4.07Å; E822-F830 HydrophobicContact CB-CD1 4.43Å; E822-K831 CarbonylContact C-O 3.57Å; E822-K831 WeakPolarHBondContact CA-O 3.44Å; E822-K831 WeakPolarHBondContact CB-O 3.5Å; E822-P832 HydrophobicContact CG-CB 4.26Å; E822-E867 WeakPolarHBondContact O-CA 3.48Å; E822-I868 HydrophobicContact CB-CG1 4.07Å; E822-I868 PolarHBondContact N-O 2.64Å; E822-I868 PolarHBondContact O-N 3.24Å; E822-V870 HydrophobicContact CB-CG2 4.23Å; E822-V870 HydrophobicContact CG-CB 4.3Å; E822-V870 HydrophobicContact CG-CG2 3.66Å
823M90.6Very high93.1Very high60 Ų6045.7 Ų45.730%0.29625%0.251SS..EExtended strand (participates in β ladder)trans-106.5141.1176.2-76.9-155.1-61.100111.9A268 F830 K831 V833 R866 E867A268-M823 HydrophobicContact CB-CE 3.5Å; A268-M823 VanDerWaalsContact CB-CE 3.5Å; A268-M823 HydrophobicContact CB-SD 3.95Å; M823-F830 WeakPolarHBondContact O-CA 3.36Å; M823-K831 PolarHBondContact N-O 3.17Å; M823-K831 PolarHBondContact O-N 2.82Å; M823-V833 HydrophobicContact CG-CG2 4.19Å; M823-R866 CarbonylContact C-O 3.49Å; M823-R866 WeakPolarHBondContact CA-O 3.43Å; M823-E867 HydrophobicContact CG-CB 4.32Å; M823-E867 HydrophobicContact CG-CG 4.13Å
824F90.8Very high92.9Very high61 Ų6149.4 Ų49.427%0.26827%0.265SS..EExtended strand (participates in β ladder)trans-76.6123.7178.2-170.2-93.8000111.8E826 F830 R866 Q893F824-E826 HydrophobicContact CE1-CG 4.13Å; F824-F830 HydrophobicContact CB-CD1 3.92Å; F824-F830 HydrophobicContact CB-CE1 3.67Å; F824-F830 HydrophobicContact CB-CZ 4.14Å; F824-F830 HydrophobicContact CD2-CD1 4.34Å; F824-F830 HydrophobicContact CD2-CD2 4.02Å; F824-F830 HydrophobicContact CD2-CE1 4.25Å; F824-F830 AromaticContact CD2-CE2 3.91Å; F824-F830 HydrophobicContact CD2-CE2 3.91Å; F824-F830 HydrophobicContact CD2-CG 4.23Å; F824-F830 HydrophobicContact CD2-CZ 4.03Å; F824-F830 HydrophobicContact CG-CE1 4.45Å; F824-R866 PolarHBondContact N-O 2.84Å; F824-Q893 HydrophobicContact CD2-CG 3.92Å; F824-Q893 HydrophobicContact CE2-CG 3.81Å; F824-Q893 HydrophobicContact CZ-CG 4.49Å
825Q88.8Confident92.7Very high78 Ų7853.3 Ų53.336%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-112.4123.3172.4-63.7-177.84.800109.2G827 M828 G829 K831Q825-G827 PolarHBondContact O-N 3.12Å; Q825-M828 HydrophobicContact CB-CB 4.22Å; Q825-M828 PolarHBondContact O-N 3.45Å; Q825-G829 PolarHBondContact N-O 2.84Å; Q825-G829 PolarHBondContact O-N 2.85Å; Q825-K831 VanDerWaalsContact OE1-CE 3.24Å
826E86Confident92.5Very high184 Ų18453.6 Ų53.686%0.8629%0.294SS*.THydrogen-bonded Turntrans-55.4134178-71-168.6162.900111.3F824 M828F824-E826 HydrophobicContact CE1-CG 4.13Å; E826-M828 PolarHBondContact O-N 2.92Å
827G88.8Confident92.3Very high87 Ų8755.1 Ų55.190%0.89730%0.302SS*.THydrogen-bonded Turntrans77-17.6-175.800000116Q825Q825-G827 PolarHBondContact O-N 3.12Å
828M87.7Confident92.1Very high131 Ų13155.1 Ų55.165%0.64530%0.302SS*.THydrogen-bonded Turntrans-111.9-20.6-179.9-59.9-158.274.300114.6Q825 E826 K831Q825-M828 HydrophobicContact CB-CB 4.22Å; Q825-M828 PolarHBondContact O-N 3.45Å; E826-M828 PolarHBondContact O-N 2.92Å; M828-K831 VanDerWaalsContact SD-CE 3.52Å; M828-K831 PolarHBondContact SD-NZ 2.88Å
829G90.9Very high91.9Very high23 Ų2357.4 Ų57.424%0.23731%0.314CS..EExtended strand (participates in β ladder)trans89.2-162.6-174.800000112.3Q825Q825-G829 PolarHBondContact N-O 2.84Å; Q825-G829 PolarHBondContact O-N 2.85Å
830F93.2Very high91.6Very high32 Ų3257.8 Ų57.814%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-69.3140.3172.3-71-79000110.8E822 M823 F824 F865 I868 F891 Q893E822-F830 HydrophobicContact CB-CB 4.07Å; E822-F830 HydrophobicContact CB-CD1 4.43Å; M823-F830 WeakPolarHBondContact O-CA 3.36Å; F824-F830 HydrophobicContact CB-CD1 3.92Å; F824-F830 HydrophobicContact CB-CE1 3.67Å; F824-F830 HydrophobicContact CB-CZ 4.14Å; F824-F830 HydrophobicContact CD2-CD1 4.34Å; F824-F830 HydrophobicContact CD2-CD2 4.02Å; F824-F830 HydrophobicContact CD2-CE1 4.25Å; F824-F830 AromaticContact CD2-CE2 3.91Å; F824-F830 HydrophobicContact CD2-CE2 3.91Å; F824-F830 HydrophobicContact CD2-CG 4.23Å; F824-F830 HydrophobicContact CD2-CZ 4.03Å; F824-F830 HydrophobicContact CG-CE1 4.45Å; F830-F865 HydrophobicContact CZ-CB 4.36Å; F830-F865 WeakPolarHBondContact CZ-O 3.18Å; F830-I868 HydrophobicContact CB-CD1 4.33Å; F830-I868 HydrophobicContact CD1-CD1 3.58Å; F830-I868 HydrophobicContact CD1-CG1 3.62Å; F830-I868 HydrophobicContact CD2-CD1 3.83Å; F830-I868 HydrophobicContact CE1-CB 4.28Å; F830-I868 HydrophobicContact CE1-CD1 3.73Å; F830-I868 HydrophobicContact CE1-CG1 3.66Å; F830-I868 HydrophobicContact CE1-CG2 3.74Å; F830-I868 HydrophobicContact CE2-CD1 3.97Å; F830-I868 HydrophobicContact CG-CD1 3.64Å; F830-I868 HydrophobicContact CG-CG1 4.18Å; F830-I868 HydrophobicContact CZ-CD1 3.92Å; F830-I868 HydrophobicContact CZ-CG1 4.26Å; F830-I868 HydrophobicContact CZ-CG2 3.83Å; F830-F891 HydrophobicContact CB-CE2 4.19Å; F830-F891 HydrophobicContact CD2-CD2 4.22Å; F830-F891 HydrophobicContact CD2-CE2 4.36Å; F830-Q893 HydrophobicContact CE2-CG 3.96Å; F830-Q893 HydrophobicContact CZ-CG 4.24Å
831K92.6Very high91.3Very high72 Ų7266.4 Ų66.431%0.31336%0.361SS..EExtended strand (participates in β ladder)trans-130.7141.7169.9-72.5-164.2-168.9156.60110.6E822 M823 Q825 M828E822-K831 CarbonylContact C-O 3.57Å; E822-K831 WeakPolarHBondContact CA-O 3.44Å; E822-K831 WeakPolarHBondContact CB-O 3.5Å; M823-K831 PolarHBondContact N-O 3.17Å; M823-K831 PolarHBondContact O-N 2.82Å; Q825-K831 VanDerWaalsContact OE1-CE 3.24Å; M828-K831 VanDerWaalsContact SD-CE 3.52Å; M828-K831 PolarHBondContact SD-NZ 2.88Å
832P92.5Very high91.1Very high54 Ų5473 Ų7335%0.35139%0.389SS..EExtended strand (participates in β ladder)trans-63.714317429.8-36.5000111.7E822 L839E822-P832 HydrophobicContact CG-CB 4.26Å; P832-L839 HydrophobicContact CB-CD1 3.52Å; P832-L839 HydrophobicContact CG-CD1 3.53Å
833V89Confident91Very high68 Ų6873.5 Ų73.541%0.41239%0.391SS..SBendtrans-69.5-34.1179.31770000111.5Q821 M823Q821-V833 HydrophobicContact CB-CG2 3.94Å; Q821-V833 PolarHBondContact O-N 2.97Å; Q821-V833 VanDerWaalsContact O-N 3.08Å; M823-V833 HydrophobicContact CG-CG2 4.19Å
834R90Very high91.1Very high78 Ų7873.5 Ų73.529%0.29440%0.396SS..SBendtrans-146.4171.6175.470.3-162.2-47.7-75.57.3111.8E330 E799E330-R834 IonicContact OE1-CZ 3.44Å; E330-R834 IonicContact OE1-NH2 2.71Å; E330-R834 PolarHBondContact OE1-NH2 2.99Å; E330-R834 IonicContact OE2-NH2 3.2Å; E799-R834 IonicContact OE1-CZ 2.84Å; E799-R834 IonicContact OE1-NH1 2.73Å; E799-R834 PolarHBondContact OE1-NH1 3.5Å; E799-R834 IonicContact OE1-NH2 3.57Å; E799-R834 IonicContact OE2-NH1 3.13Å
835S92.1Very high91.3Very high82 Ų8274.7 Ų74.757%0.57340%0.401SS*.  trans-63.1152.1169.7-175.30000110.5
836S94.2Very high91.6Very high5 Ų572.9 Ų72.94%0.03540%0.397CS..  trans-158.4163.1178.445.50000111.9E800 R820 S838 L839 S840E800-S836 WeakPolarHBondContact OE2-CB 3.33Å; E800-S836 PolarHBondContact OE2-OG 3.28Å; R820-S836 WeakPolarHBondContact CD-OG 3.39Å; S836-S838 VanDerWaalsContact C-N 3.32Å; S836-S838 PolarHBondContact O-N 2.97Å; S836-L839 WeakPolarHBondContact O-CA 3.46Å; S836-L839 WeakPolarHBondContact O-CB 3.45Å; S836-L839 PolarHBondContact O-N 3.24Å; S836-L839 VanDerWaalsContact OG-CD1 3.3Å; S836-L839 WeakPolarHBondContact OG-CD1 3.41Å; S836-L839 WeakPolarHBondContact OG-CG 3.46Å; S836-S840 PolarHBondContact O-N 3.43Å
837I93.8Very high92Very high32 Ų3267.4 Ų67.416%0.16438%0.383CS..G310 helixtrans-62.5-36.4-173.9-161.7173.2000112.7L798 E800 L839 S840 L874 F876 I883L798-I837 HydrophobicContact CB-CG2 3.85Å; L798-I837 HydrophobicContact CD2-CD1 3.79Å; L798-I837 HydrophobicContact CD2-CG2 3.93Å; L798-I837 HydrophobicContact CG-CG2 4.48Å; L798-I837 WeakPolarHBondContact O-CB 3.41Å; L798-I837 WeakPolarHBondContact O-CG2 3.42Å; L798-I837 PolarHBondContact O-N 2.87Å; E800-I837 HydrophobicContact CG-CG2 4.16Å; I837-L839 PolarHBondContact O-N 2.94Å; I837-S840 WeakPolarHBondContact O-CB 3.3Å; I837-S840 PolarHBondContact O-N 3.39Å; I837-S840 VanDerWaalsContact O-N 3.11Å; I837-L874 HydrophobicContact CG2-CD1 3.54Å; I837-F876 HydrophobicContact CD1-CE1 3.87Å; I837-F876 HydrophobicContact CD1-CZ 4.01Å; I837-I883 HydrophobicContact CD1-CB 4.22Å; I837-I883 HydrophobicContact CD1-CD1 4.14Å; I837-I883 HydrophobicContact CD1-CG2 4.04Å; I837-I883 HydrophobicContact CG1-CD1 3.85Å; I837-I883 HydrophobicContact CG1-CG2 4.07Å
838S94.4Very high92.2Very high0 Ų064 Ų640%035%0.345CS..G310 helixtrans-62.3-23.7172.766.40000113E800 R820 S836 K845E800-S838 WeakPolarHBondContact OE1-CB 3.44Å; E800-S838 VanDerWaalsContact OE2-CB 3.25Å; E800-S838 WeakPolarHBondContact OE2-CB 3.36Å; E800-S838 PolarHBondContact OE2-OG 3.05Å; R820-S838 PolarHBondContact NH1-OG 3.44Å; S836-S838 VanDerWaalsContact C-N 3.32Å; S836-S838 PolarHBondContact O-N 2.97Å; S838-K845 WeakPolarHBondContact O-CE 3.44Å; S838-K845 PolarHBondContact O-NZ 2.84Å
839L94.3Very high92.3Very high49 Ų4968.1 Ų68.126%0.25735%0.354SS..G310 helixtrans-89-8.7177.9-61.5176.3000113.9P832 S836 I837 Q841 K845P832-L839 HydrophobicContact CB-CD1 3.52Å; P832-L839 HydrophobicContact CG-CD1 3.53Å; S836-L839 WeakPolarHBondContact O-CA 3.46Å; S836-L839 WeakPolarHBondContact O-CB 3.45Å; S836-L839 PolarHBondContact O-N 3.24Å; S836-L839 VanDerWaalsContact OG-CD1 3.3Å; S836-L839 WeakPolarHBondContact OG-CD1 3.41Å; S836-L839 WeakPolarHBondContact OG-CG 3.46Å; I837-L839 PolarHBondContact O-N 2.94Å; L839-Q841 PolarHBondContact O-N 3.04Å; L839-K845 VanDerWaalsContact CA-NZ 3.28Å; L839-K845 PolarHBondContact O-NZ 2.89Å
840S91.9Very high92.1Very high32 Ų3272.9 Ų72.922%0.22437%0.373CS..  trans-45.6129.8176.1177.50000113.4S836 I837 K842 K845S836-S840 PolarHBondContact O-N 3.43Å; I837-S840 WeakPolarHBondContact O-CB 3.3Å; I837-S840 PolarHBondContact O-N 3.39Å; I837-S840 VanDerWaalsContact O-N 3.11Å; S840-K842 VanDerWaalsContact C-N 3.29Å; S840-K842 PolarHBondContact OG-N 2.69Å; S840-K845 WeakPolarHBondContact O-CE 3.32Å; S840-K845 PolarHBondContact O-NZ 3.5Å
841Q89.4Confident91.6Very high194 Ų19472 Ų7291%0.90737%0.371SS*.THydrogen-bonded Turntrans-81-9.2177.7-64.1-175.73.200113.3L839 I843L839-Q841 PolarHBondContact O-N 3.04Å; Q841-I843 VanDerWaalsContact C-N 3.34Å
842K88Confident91Very high201 Ų20178.3 Ų78.387%0.87440%0.398SS*.THydrogen-bonded Turntrans-80-12.9-175.5-63.4-177.1178.9179.80113.9S840S840-K842 VanDerWaalsContact C-N 3.29Å; S840-K842 PolarHBondContact OG-N 2.69Å
843I91.5Very high90.2Very high21 Ų2178.2 Ų78.211%0.10840%0.397CS..SBendtrans-116147.1-172.460.5-179.7000112.6Q841 I883 A886Q841-I843 VanDerWaalsContact C-N 3.34Å; I843-I883 HydrophobicContact CD1-CD1 3.48Å; I843-I883 VanDerWaalsContact CD1-CD1 3.48Å; I843-I883 HydrophobicContact CD1-CG1 3.78Å; I843-I883 HydrophobicContact CD1-CG2 4.47Å; I843-I883 HydrophobicContact CG2-CG1 4.43Å; I843-I883 HydrophobicContact CG2-CG2 4.04Å; I843-I883 WeakPolarHBondContact CG2-O 3.39Å; I843-A886 HydrophobicContact CD1-CB 3.8Å
844P94.4Very high89.5Confident59 Ų5977.6 Ų77.638%0.38340%0.398SS..  trans-62148.2168.327.7-36.1000111.7Q884 F885 A886P844-Q884 WeakPolarHBondContact CD-O 3.39Å; P844-Q884 WeakPolarHBondContact CG-O 3.26Å; P844-F885 HydrophobicContact CB-CD2 3.94Å; P844-F885 HydrophobicContact CB-CE2 3.88Å; P844-F885 HydrophobicContact CG-CD2 3.6Å; P844-F885 HydrophobicContact CG-CE2 4.07Å; P844-F885 HydrophobicContact CG-CG 4.46Å; P844-A886 PolarHBondContact O-N 2.81Å
845K94.3Very high88.8Confident86 Ų8674 Ų7437%0.37439%0.385SS..EExtended strand (participates in β ladder)trans-136.7152.9-177.5-54.2-170.9-171.4-173.30113.3S838 L839 S840 A886S838-K845 WeakPolarHBondContact O-CE 3.44Å; S838-K845 PolarHBondContact O-NZ 2.84Å; L839-K845 VanDerWaalsContact CA-NZ 3.28Å; L839-K845 PolarHBondContact O-NZ 2.89Å; S840-K845 WeakPolarHBondContact O-CE 3.32Å; S840-K845 PolarHBondContact O-NZ 3.5Å; K845-A886 WeakPolarHBondContact CA-O 3.25Å; K845-A886 HydrophobicContact CG-CB 4.43Å
846S95.6Very high87.8Confident41 Ų4176 Ų7629%0.28740%0.399SS..EExtended strand (participates in β ladder)trans-140171.7165.3630000111.2F885 A886 H887 N888S846-F885 WeakPolarHBondContact OG-CE1 3.49Å; S846-A886 PolarHBondContact N-O 2.98Å; S846-A886 VanDerWaalsContact N-O 3.09Å; S846-H887 WeakPolarHBondContact O-CA 3.35Å; S846-H887 PolarHBondContact OG-ND1 2.75Å; S846-N888 PolarHBondContact O-N 2.74Å
847A94.5Very high86.4Confident68 Ų6877.5 Ų77.556%0.56241%0.41SS*.EExtended strand (participates in β ladder)trans-138.8146.7177.100000110.5N888A847-N888 CarbonylContact C-O 3.54Å; A847-N888 VanDerWaalsContact CA-O 3.25Å; A847-N888 WeakPolarHBondContact CA-O 3.3Å; A847-N888 HydrophobicContact CB-CB 4.32Å
848S92.6Very high85.1Confident15 Ų1578.3 Ų78.311%0.10542%0.416CS..  trans-71.1147.1177.2107.50000110.4H887 N888 Y890 E897 R933S848-H887 PolarHBondContact N-CE1 2.68Å; S848-N888 PolarHBondContact N-O 2.94Å; S848-Y890 WeakPolarHBondContact OG-CB 3.46Å; S848-Y890 PolarHBondContact OG-N 2.95Å; S848-E897 PolarHBondContact OG-OE2 2.83Å; S848-R933 PolarHBondContact OG-NH2 2.8Å
849R89.8Confident83.6Confident219 Ų21981.2 Ų81.283%0.82644%0.436SS*.  trans-84.3153.8-176.7-59.7-174.2-172.7-157.63111.3R933R849-R933 PolarHBondContact O-NH1 2.85Å; R849-R933 VanDerWaalsContact O-NH1 3.17Å; R849-R933 PolarHBondContact O-NH2 3.13Å
850L86Confident81.9Confident123 Ų12384.3 Ų84.364%0.64447%0.469SS*.  trans-38.5123.5168.5-178.476.3000110.1Y890L850-Y890 HydrophobicContact CB-CE2 4.21Å; L850-Y890 HydrophobicContact CD1-CE1 4.23Å; L850-Y890 HydrophobicContact CD1-CE2 3.86Å; L850-Y890 VanDerWaalsContact CD1-OH 3.24Å; L850-Y890 WeakPolarHBondContact CD1-OH 3.33Å
851P83.1Confident80.4Confident14 Ų1489.1 Ų89.19%0.09150%0.497CS..  trans-62.7142.1179.923.7-33000111.8T853 Y890 L895 F921P851-T853 VanDerWaalsContact C-N 3.3Å; P851-Y890 HydrophobicContact CG-CD1 4.37Å; P851-L895 HydrophobicContact CG-CD2 3.77Å; P851-F921 HydrophobicContact CB-CE1 4.14Å; P851-F921 HydrophobicContact CB-CE2 4.31Å; P851-F921 HydrophobicContact CB-CZ 3.6Å; P851-F921 HydrophobicContact CG-CE1 3.85Å; P851-F921 HydrophobicContact CG-CZ 3.85Å
852K80.3Confident79.2Confident203 Ų20382.2 Ų82.288%0.88347%0.465SS*.SBendtrans-72.8-28.1175.7-66.1178-176.5171.30111.7
853T76.5Confident78.4Confident53 Ų5380.6 Ų80.633%0.32545%0.453SS..SBendtrans-116.6115.6174.562.20000109.6P851 D953P851-T853 VanDerWaalsContact C-N 3.3Å; T853-D953 PolarHBondContact OG1-OD2 3.06Å
854A74.1Confident78Confident54 Ų5485.1 Ų85.145%0.44647%0.472SS..  trans-79.6155.7167.900000110V858A854-V858 HydrophobicContact CB-CB 4.35Å; A854-V858 HydrophobicContact CB-CG2 4.47Å
855P75.1Confident77.6Confident4 Ų484 Ų843%0.02646%0.461CS..  trans-54150.1162.2-21.732.1000111.4S857 V858 L895 F921 V923 K931P855-S857 WeakPolarHBondContact CB-OG 3.42Å; P855-S857 PolarHBondContact O-N 2.91Å; P855-V858 HydrophobicContact CB-CG2 4.13Å; P855-V858 HydrophobicContact CG-CG2 4.16Å; P855-V858 PolarHBondContact O-N 2.82Å; P855-L895 HydrophobicContact CG-CD1 3.59Å; P855-F921 HydrophobicContact CG-CB 3.99Å; P855-V923 HydrophobicContact CB-CG2 4.19Å; P855-V923 HydrophobicContact CG-CG2 3.97Å; P855-K931 HydrophobicContact CB-CG 4.32Å; P855-K931 HydrophobicContact CG-CB 4.25Å; P855-K931 HydrophobicContact CG-CG 4.34Å
856S70.5Confident77.3Confident122 Ų12290 Ų9085%0.85348%0.481SS*.THydrogen-bonded Turntrans-65.9-16.9176.542.90000113.3V858S856-V858 VanDerWaalsContact C-N 3.29Å
857S65.6Low77.1Confident38 Ų3892.5 Ų92.527%0.26649%0.488SS..THydrogen-bonded Turntrans-82.711.2176.143.20000114.1P855P855-S857 WeakPolarHBondContact CB-OG 3.42Å; P855-S857 PolarHBondContact O-N 2.91Å
858V64.9Low77Confident49 Ų4989.6 Ų89.630%0.29746%0.464SS..  trans-106.498.7177.9-174.40000111.4A854 P855 S856 E862 L895 V923A854-V858 HydrophobicContact CB-CB 4.35Å; A854-V858 HydrophobicContact CB-CG2 4.47Å; P855-V858 HydrophobicContact CB-CG2 4.13Å; P855-V858 HydrophobicContact CG-CG2 4.16Å; P855-V858 PolarHBondContact O-N 2.82Å; S856-V858 VanDerWaalsContact C-N 3.29Å; V858-E862 VanDerWaalsContact CA-OE2 3.24Å; V858-E862 WeakPolarHBondContact CA-OE2 3.14Å; V858-L895 HydrophobicContact CG2-CD1 4.35Å; V858-V923 HydrophobicContact CG2-CG2 4.04Å
859S64.2Low77.1Confident60 Ų6092 Ų9242%0.4247%0.473SS..  trans-122.9171.1176.486.70000112.5T861 E862S859-T861 PolarHBondContact O-N 2.61Å; S859-T861 VanDerWaalsContact O-N 3.12Å; S859-T861 PolarHBondContact OG-OG1 2.92Å; S859-E862 WeakPolarHBondContact CA-OE1 3.48Å; S859-E862 WeakPolarHBondContact CB-OE1 2.98Å; S859-E862 PolarHBondContact N-OE1 2.84Å; S859-E862 PolarHBondContact N-OE2 2.84Å; S859-E862 PolarHBondContact OG-OE1 2.86Å
860A57.4Low77.4Confident114 Ų11481.6 Ų81.694%0.94243%0.434SS*.THydrogen-bonded Turntrans-74.61.9-173.900000115.2
861T60.4Low78Confident133 Ų13375.8 Ų75.882%0.81640%0.403SS*.THydrogen-bonded Turntrans-118.52.5-170.525.20000115.1S859S859-T861 PolarHBondContact O-N 2.61Å; S859-T861 VanDerWaalsContact O-N 3.12Å; S859-T861 PolarHBondContact OG-OG1 2.92Å
862E64.1Low78.7Confident50 Ų5075.1 Ų75.123%0.23440%0.399CS..  trans-76.5164.1-174.5-82.5117.4-135.100115.8V858 S859V858-E862 VanDerWaalsContact CA-OE2 3.24Å; V858-E862 WeakPolarHBondContact CA-OE2 3.14Å; S859-E862 WeakPolarHBondContact CA-OE1 3.48Å; S859-E862 WeakPolarHBondContact CB-OE1 2.98Å; S859-E862 PolarHBondContact N-OE1 2.84Å; S859-E862 PolarHBondContact N-OE2 2.84Å; S859-E862 PolarHBondContact OG-OE1 2.86Å
863R71.2Confident79.6Confident167 Ų16765.4 Ų65.463%0.6336%0.357SS*.  trans-60.3158.6165.5-67.3179.3166.6173.9-6.1111.1E924 D925R863-E924 VanDerWaalsContact CB-CD 3.49Å; R863-E924 HydrophobicContact CB-CG 4.48Å; R863-E924 VanDerWaalsContact CB-OE2 3.25Å; R863-E924 WeakPolarHBondContact CB-OE2 3.39Å; R863-E924 WeakPolarHBondContact CD-OE1 3.26Å; R863-D925 IonicContact NH1-OD1 3.77Å
864K84.2Confident80.6Confident116 Ų11662.9 Ų62.950%0.50434%0.342SS..  trans-126.9124.7-172.4-71.6-179.5166-155.30108.8R866 Q893 T894 E924K864-R866 PolarHBondContact O-N 3.15Å; K864-R866 VanDerWaalsContact O-N 3.15Å; K864-Q893 CarbonylContact C-O 3.52Å; K864-Q893 VanDerWaalsContact CA-O 3.31Å; K864-Q893 WeakPolarHBondContact CA-O 3.36Å; K864-Q893 HydrophobicContact CB-CB 4.34Å; K864-Q893 HydrophobicContact CD-CB 4.45Å; K864-Q893 HydrophobicContact CG-CB 4.3Å; K864-T894 HydrophobicContact CG-CG2 4.37Å; K864-E924 VanDerWaalsContact C-OE2 3.26Å; K864-E924 PolarHBondContact N-OE2 3.02Å
865F86.5Confident81.7Confident34 Ų3460.3 Ų60.315%0.14932%0.32CS..  trans-53.4120.9171.6-64.4-68.8000110.4F830 I868 Q893 V896 E924F830-F865 HydrophobicContact CZ-CB 4.36Å; F830-F865 WeakPolarHBondContact CZ-O 3.18Å; F865-I868 HydrophobicContact CB-CG2 3.44Å; F865-I868 VanDerWaalsContact CB-CG2 3.44Å; F865-I868 HydrophobicContact CD1-CG2 4.45Å; F865-I868 HydrophobicContact CD2-CG2 4.37Å; F865-I868 HydrophobicContact CG-CG2 3.88Å; F865-Q893 WeakPolarHBondContact CD2-O 3.3Å; F865-Q893 PolarHBondContact N-O 2.99Å; F865-V896 HydrophobicContact CD2-CG2 3.94Å; F865-V896 HydrophobicContact CE2-CG2 3.98Å; F865-E924 HydrophobicContact CD1-CB 4.4Å; F865-E924 HydrophobicContact CD1-CG 4.39Å; F865-E924 HydrophobicContact CE1-CB 3.84Å; F865-E924 HydrophobicContact CE1-CG 4.1Å; F865-E924 HydrophobicContact CZ-CB 4Å; F865-E924 PolarHBondContact N-OE2 3.49Å
866R87.7Confident82.6Confident213 Ų21360.3 Ų60.380%0.80432%0.32SS*.SBendtrans-89.3-26.4168.6-72.6-174.6170.6-171.9-2.7112.3M823 F824 K864M823-R866 CarbonylContact C-O 3.49Å; M823-R866 WeakPolarHBondContact CA-O 3.43Å; F824-R866 PolarHBondContact N-O 2.84Å; K864-R866 PolarHBondContact O-N 3.15Å; K864-R866 VanDerWaalsContact O-N 3.15Å
867E89.8Confident83.6Confident93 Ų9356.4 Ų56.444%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-132.9142.5175-174.6-179.916600107.9Q821 E822 M823Q821-E867 PolarHBondContact NE2-OE1 2.82Å; E822-E867 WeakPolarHBondContact O-CA 3.48Å; M823-E867 HydrophobicContact CG-CB 4.32Å; M823-E867 HydrophobicContact CG-CG 4.13Å
868I93.3Very high84.5Confident8 Ų856.5 Ų56.54%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-140.2150.7179.858.6173.6000111.5Q821 E822 F830 F865 V870 F891 V896Q821-I868 WeakPolarHBondContact CA-O 3.26Å; E822-I868 HydrophobicContact CB-CG1 4.07Å; E822-I868 PolarHBondContact N-O 2.64Å; E822-I868 PolarHBondContact O-N 3.24Å; F830-I868 HydrophobicContact CB-CD1 4.33Å; F830-I868 HydrophobicContact CD1-CD1 3.58Å; F830-I868 HydrophobicContact CD1-CG1 3.62Å; F830-I868 HydrophobicContact CD2-CD1 3.83Å; F830-I868 HydrophobicContact CE1-CB 4.28Å; F830-I868 HydrophobicContact CE1-CD1 3.73Å; F830-I868 HydrophobicContact CE1-CG1 3.66Å; F830-I868 HydrophobicContact CE1-CG2 3.74Å; F830-I868 HydrophobicContact CE2-CD1 3.97Å; F830-I868 HydrophobicContact CG-CD1 3.64Å; F830-I868 HydrophobicContact CG-CG1 4.18Å; F830-I868 HydrophobicContact CZ-CD1 3.92Å; F830-I868 HydrophobicContact CZ-CG1 4.26Å; F830-I868 HydrophobicContact CZ-CG2 3.83Å; F865-I868 HydrophobicContact CB-CG2 3.44Å; F865-I868 VanDerWaalsContact CB-CG2 3.44Å; F865-I868 HydrophobicContact CD1-CG2 4.45Å; F865-I868 HydrophobicContact CD2-CG2 4.37Å; F865-I868 HydrophobicContact CG-CG2 3.88Å; I868-V870 HydrophobicContact CD1-CG2 3.54Å; I868-V870 HydrophobicContact CG1-CG2 3.92Å; I868-F891 HydrophobicContact CD1-CB 4Å; I868-F891 HydrophobicContact CD1-CD2 3.36Å; I868-F891 HydrophobicContact CD1-CE2 4.06Å; I868-F891 HydrophobicContact CD1-CG 3.92Å; I868-V896 HydrophobicContact CB-CG2 4.1Å; I868-V896 HydrophobicContact CG2-CG2 3.6Å
869E94.1Very high85Confident64 Ų6458.8 Ų58.830%0.29930%0.304SS..EExtended strand (participates in β ladder)trans-91.3101.3164.5-67.1-172170.200109.8K803 Y819 R820 S871K803-E869 IonicContact NZ-OE2 3.85Å; K803-E869 PolarHBondContact NZ-OE2 3.46Å; Y819-E869 HydrophobicContact CD2-CB 3.75Å; Y819-E869 HydrophobicContact CD2-CG 3.62Å; Y819-E869 WeakPolarHBondContact CD2-OE2 3.49Å; Y819-E869 HydrophobicContact CE2-CB 4.45Å; Y819-E869 HydrophobicContact CE2-CG 3.85Å; Y819-E869 WeakPolarHBondContact CE2-OE1 3.34Å; Y819-E869 WeakPolarHBondContact CE2-OE2 3.16Å; Y819-E869 HydrophobicContact CG-CB 4.34Å; R820-E869 CarbonylContact O-C 3.57Å; R820-E869 WeakPolarHBondContact O-CA 3.2Å; E869-S871 PolarHBondContact O-N 3.05Å
870V96.8Very high85.7Confident1 Ų158.8 Ų58.81%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-79.2115.8175.1179.70000109.3Y819 R820 E822 I868 F891Y819-V870 VanDerWaalsContact CA-O 3.25Å; Y819-V870 WeakPolarHBondContact CA-O 3.41Å; R820-V870 HydrophobicContact CG-CB 4.34Å; R820-V870 PolarHBondContact N-O 3.37Å; R820-V870 VanDerWaalsContact NH2-CG1 3.3Å; R820-V870 PolarHBondContact O-N 2.9Å; E822-V870 HydrophobicContact CB-CG2 4.23Å; E822-V870 HydrophobicContact CG-CB 4.3Å; E822-V870 HydrophobicContact CG-CG2 3.66Å; I868-V870 HydrophobicContact CD1-CG2 3.54Å; I868-V870 HydrophobicContact CG1-CG2 3.92Å; V870-F891 HydrophobicContact CB-CD1 4.35Å; V870-F891 HydrophobicContact CB-CE1 4.41Å; V870-F891 HydrophobicContact CG1-CD1 3.58Å; V870-F891 HydrophobicContact CG1-CE1 3.52Å; V870-F891 HydrophobicContact CG1-CG 4.4Å; V870-F891 HydrophobicContact CG1-CZ 4.28Å; V870-F891 HydrophobicContact CG2-CD1 3.83Å; V870-F891 HydrophobicContact CG2-CD2 3.96Å; V870-F891 HydrophobicContact CG2-CE1 3.92Å; V870-F891 HydrophobicContact CG2-CE2 4.03Å; V870-F891 HydrophobicContact CG2-CG 3.85Å; V870-F891 HydrophobicContact CG2-CZ 4.01Å
871S97.9Very high87Confident1 Ų154 Ų541%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-82145.2176.4-66.50000112.8T818 E869 F889 V898 A899T818-S871 CarbonylContact O-C 3.41Å; T818-S871 WeakPolarHBondContact O-CA 3.36Å; E869-S871 PolarHBondContact O-N 3.05Å; S871-F889 PolarHBondContact O-N 2.73Å; S871-V898 WeakPolarHBondContact OG-CA 3.4Å; S871-A899 PolarHBondContact OG-N 2.94Å
872S98.1Very high88.3Confident0 Ų053.8 Ų53.80%025%0.247CC..EExtended strand (participates in β ladder)trans-134.4152176-59.40000111.7I817 T818 R820 H887 N888I817-S872 WeakPolarHBondContact CA-O 3.23Å; T818-S872 PolarHBondContact N-O 2.65Å; T818-S872 PolarHBondContact O-N 3.21Å; R820-S872 PolarHBondContact NH1-OG 2.86Å; R820-S872 VanDerWaalsContact NH1-OG 3.1Å; S872-H887 CarbonylContact C-O 3.59Å; S872-H887 WeakPolarHBondContact CA-O 3.4Å; S872-N888 PolarHBondContact OG-OD1 2.81Å
873L98.5Very high89.7Confident0 Ų053.1 Ų53.10%025%0.245CC..EExtended strand (participates in β ladder)trans-105.7119.8161.9167.166000107.9I875 A886 H887 F889 I902 V917 F937 L946L873-I875 HydrophobicContact CD1-CD1 4.13Å; L873-I875 HydrophobicContact CD2-CD1 4.28Å; L873-I875 HydrophobicContact CG-CD1 4.12Å; L873-A886 CarbonylContact O-C 3.59Å; L873-A886 WeakPolarHBondContact O-CA 3.33Å; L873-H887 HydrophobicContact CB-CB 4.31Å; L873-H887 PolarHBondContact N-O 2.82Å; L873-H887 PolarHBondContact O-N 2.76Å; L873-F889 HydrophobicContact CB-CE2 3.94Å; L873-F889 HydrophobicContact CB-CZ 4.14Å; L873-I902 HydrophobicContact CD1-CD1 3.63Å; L873-V917 HydrophobicContact CD1-CG2 4.49Å; L873-V917 HydrophobicContact CD2-CG2 4.11Å; L873-F937 HydrophobicContact CD2-CD2 3.72Å; L873-F937 HydrophobicContact CD2-CE2 3.91Å; L873-F937 HydrophobicContact CD2-CG 4.35Å; L873-L946 HydrophobicContact CD2-CD2 4.03Å
874L98.2Very high90.8Very high0 Ų047 Ų470%022%0.224CC..EExtended strand (participates in β ladder)trans-103.2141.3174.9-48.7-177.3000109.4G815 V816 T818 I837 F876 I883 F885 A886G815-L874 CarbonylContact C-O 3.46Å; G815-L874 WeakPolarHBondContact CA-O 3.41Å; V816-L874 PolarHBondContact N-O 2.84Å; V816-L874 PolarHBondContact O-N 2.9Å; T818-L874 HydrophobicContact CG2-CD1 3.54Å; T818-L874 HydrophobicContact CG2-CG 4.1Å; I837-L874 HydrophobicContact CG2-CD1 3.54Å; L874-F876 HydrophobicContact CB-CD2 4.26Å; L874-F876 HydrophobicContact CB-CE2 3.57Å; L874-F876 HydrophobicContact CB-CZ 4.21Å; L874-F876 HydrophobicContact CD1-CE2 3.97Å; L874-F876 HydrophobicContact CD1-CZ 3.94Å; L874-F876 HydrophobicContact CG-CE2 4.45Å; L874-I883 HydrophobicContact CB-CD1 4.1Å; L874-I883 HydrophobicContact CD1-CD1 4.18Å; L874-I883 HydrophobicContact CD2-CD1 4.02Å; L874-I883 HydrophobicContact CG-CD1 4.32Å; L874-F885 WeakPolarHBondContact CA-O 3.5Å; L874-A886 HydrophobicContact CD2-CB 3.76Å
875I97.8Very high91.4Very high0 Ų042 Ų420%020%0.202CC..EExtended strand (participates in β ladder)trans-113.8126.8172-50.5-62.1000109L873 Q884 F885 F915 W939 L946L873-I875 HydrophobicContact CD1-CD1 4.13Å; L873-I875 HydrophobicContact CD2-CD1 4.28Å; L873-I875 HydrophobicContact CG-CD1 4.12Å; I875-Q884 PolarHBondContact O-N 2.85Å; I875-F885 HydrophobicContact CB-CB 4.12Å; I875-F885 HydrophobicContact CG1-CB 4.18Å; I875-F885 PolarHBondContact N-O 2.96Å; I875-F885 PolarHBondContact O-N 3.23Å; I875-F915 HydrophobicContact CD1-CD2 3.99Å; I875-F915 HydrophobicContact CD1-CE2 3.86Å; I875-F915 HydrophobicContact CD1-CZ 4.49Å; I875-W939 HydrophobicContact CB-CD2 4.5Å; I875-W939 HydrophobicContact CG1-CD2 4.49Å; I875-W939 HydrophobicContact CG1-CE3 4.27Å; I875-W939 HydrophobicContact CG2-CD2 3.77Å; I875-W939 HydrophobicContact CG2-CE3 4.27Å; I875-W939 HydrophobicContact CG2-CG 4.07Å; I875-W939 HydrophobicContact CG2-CH2 4.48Å; I875-W939 HydrophobicContact CG2-CZ2 4.01Å; I875-L946 HydrophobicContact CD1-CD1 4.24Å; I875-L946 HydrophobicContact CG1-CD1 4.2Å
876F94.4Very high91.9Very high3 Ų340.4 Ų40.41%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-115.1150.7176.4-62.3-98.2000111L409 L798 S813 L814 V816 I837 L874 L881 E882 I883L409-F876 HydrophobicContact CD1-CD2 4.43Å; L409-F876 HydrophobicContact CD1-CE1 4.38Å; L409-F876 HydrophobicContact CD1-CE2 4.1Å; L409-F876 HydrophobicContact CD1-CZ 4.09Å; L798-F876 HydrophobicContact CD2-CE1 4.41Å; L798-F876 HydrophobicContact CD2-CZ 3.79Å; S813-F876 CarbonylContact C-O 3.55Å; S813-F876 VanDerWaalsContact CA-O 3.3Å; S813-F876 WeakPolarHBondContact CA-O 3.48Å; L814-F876 HydrophobicContact CB-CB 4.34Å; L814-F876 PolarHBondContact N-O 3.03Å; L814-F876 PolarHBondContact O-N 2.78Å; V816-F876 HydrophobicContact CB-CD2 4.39Å; V816-F876 HydrophobicContact CB-CE2 3.99Å; V816-F876 HydrophobicContact CG2-CD2 3.78Å; V816-F876 HydrophobicContact CG2-CE2 3.74Å; I837-F876 HydrophobicContact CD1-CE1 3.87Å; I837-F876 HydrophobicContact CD1-CZ 4.01Å; L874-F876 HydrophobicContact CB-CD2 4.26Å; L874-F876 HydrophobicContact CB-CE2 3.57Å; L874-F876 HydrophobicContact CB-CZ 4.21Å; L874-F876 HydrophobicContact CD1-CE2 3.97Å; L874-F876 HydrophobicContact CD1-CZ 3.94Å; L874-F876 HydrophobicContact CG-CE2 4.45Å; F876-L881 HydrophobicContact CB-CD2 4.49Å; F876-L881 WeakPolarHBondContact CD1-O 3.2Å; F876-E882 VanDerWaalsContact CA-O 3.28Å; F876-E882 WeakPolarHBondContact CA-O 3.18Å; F876-I883 HydrophobicContact CD1-CB 3.88Å; F876-I883 HydrophobicContact CE1-CB 3.71Å; F876-I883 HydrophobicContact CE1-CG1 4.35Å; F876-I883 HydrophobicContact CZ-CB 4.36Å; F876-I883 HydrophobicContact CZ-CD1 4.37Å
877N89.9Confident92.4Very high41 Ų4130.4 Ų30.422%0.21916%0.157CC..EExtended strand (participates in β ladder)trans-72.2127.9165.8-179.4-59.4000109.5S879 N880 L881 E882 Q884N877-S879 PolarHBondContact O-N 2.86Å; N877-S879 VanDerWaalsContact OD1-CB 3.3Å; N877-S879 WeakPolarHBondContact OD1-CB 3.34Å; N877-S879 PolarHBondContact OD1-N 2.92Å; N877-S879 PolarHBondContact OD1-OG 2.85Å; N877-N880 WeakPolarHBondContact CB-OD1 3.36Å; N877-L881 WeakPolarHBondContact O-CA 3.19Å; N877-L881 PolarHBondContact O-N 3.2Å; N877-E882 PolarHBondContact N-O 3.28Å; N877-Q884 HydrophobicContact CB-CG 4.32Å
878Q85.1Confident92.8Very high40 Ų4027.2 Ų27.219%0.18714%0.143CC..THydrogen-bonded Turntrans-59.7-29.3-176.1176.6-177-4100114.1L389 L807 S812L389-Q878 HydrophobicContact CD1-CG 3.58Å; L807-Q878 HydrophobicContact CD1-CG 3.91Å; S812-Q878 WeakPolarHBondContact O-CB 3.36Å; S812-Q878 PolarHBondContact O-N 2.87Å
879S75.8Confident93Very high96 Ų9627 Ų2767%0.67114%0.142SC*.THydrogen-bonded Turntrans-84-46.8-167.2-19.30000112.8N877N877-S879 PolarHBondContact O-N 2.86Å; N877-S879 VanDerWaalsContact OD1-CB 3.3Å; N877-S879 WeakPolarHBondContact OD1-CB 3.34Å; N877-S879 PolarHBondContact OD1-N 2.92Å; N877-S879 PolarHBondContact OD1-OG 2.85Å
880N79.4Confident93.1Very high60 Ų6026.3 Ų26.332%0.32114%0.137SC..THydrogen-bonded Turntrans-109.5-15.2-177.266.70.4000113.3R794 N877 E882R794-N880 PolarHBondContact NH1-O 2.75Å; N877-N880 WeakPolarHBondContact CB-OD1 3.36Å; N880-E882 VanDerWaalsContact C-N 3.3Å; N880-E882 WeakPolarHBondContact ND2-CG 3.34Å; N880-E882 PolarHBondContact ND2-OE2 2.91Å; N880-E882 PolarHBondContact OD1-N 2.75Å
881L84.4Confident92.9Very high14 Ų1429.3 Ų29.37%0.07315%0.15CC..  trans6133.7-175.6-59.7167.8000114I398 V411 L796 L814 F876 N877I398-L881 HydrophobicContact CD1-CD1 4.21Å; I398-L881 HydrophobicContact CD1-CD2 4.15Å; V411-L881 HydrophobicContact CG2-CD1 3.31Å; L796-L881 HydrophobicContact CD1-CB 3.44Å; L796-L881 VanDerWaalsContact CD1-CB 3.44Å; L796-L881 HydrophobicContact CD1-CD1 3.62Å; L796-L881 HydrophobicContact CD1-CG 4.17Å; L814-L881 HydrophobicContact CD2-CD2 3.92Å; F876-L881 HydrophobicContact CB-CD2 4.49Å; F876-L881 WeakPolarHBondContact CD1-O 3.2Å; N877-L881 WeakPolarHBondContact O-CA 3.19Å; N877-L881 PolarHBondContact O-N 3.2Å
882E87.4Confident92.7Very high129 Ų12930.3 Ų30.360%0.60316%0.157SC*.  trans-75.1138.8164.1-69.5178.8156.400110.9F876 N877 N880F876-E882 VanDerWaalsContact CA-O 3.28Å; F876-E882 WeakPolarHBondContact CA-O 3.18Å; N877-E882 PolarHBondContact N-O 3.28Å; N880-E882 VanDerWaalsContact C-N 3.3Å; N880-E882 WeakPolarHBondContact ND2-CG 3.34Å; N880-E882 PolarHBondContact ND2-OE2 2.91Å; N880-E882 PolarHBondContact OD1-N 2.75Å
883I93.1Very high92.3Very high35 Ų3532.7 Ų32.718%0.17917%0.168CC..EExtended strand (participates in β ladder)trans-75.2130.2174.9-175.4166000110.8I837 I843 L874 F876I837-I883 HydrophobicContact CD1-CB 4.22Å; I837-I883 HydrophobicContact CD1-CD1 4.14Å; I837-I883 HydrophobicContact CD1-CG2 4.04Å; I837-I883 HydrophobicContact CG1-CD1 3.85Å; I837-I883 HydrophobicContact CG1-CG2 4.07Å; I843-I883 HydrophobicContact CD1-CD1 3.48Å; I843-I883 VanDerWaalsContact CD1-CD1 3.48Å; I843-I883 HydrophobicContact CD1-CG1 3.78Å; I843-I883 HydrophobicContact CD1-CG2 4.47Å; I843-I883 HydrophobicContact CG2-CG1 4.43Å; I843-I883 HydrophobicContact CG2-CG2 4.04Å; I843-I883 WeakPolarHBondContact CG2-O 3.39Å; L874-I883 HydrophobicContact CB-CD1 4.1Å; L874-I883 HydrophobicContact CD1-CD1 4.18Å; L874-I883 HydrophobicContact CD2-CD1 4.02Å; L874-I883 HydrophobicContact CG-CD1 4.32Å; F876-I883 HydrophobicContact CD1-CB 3.88Å; F876-I883 HydrophobicContact CE1-CB 3.71Å; F876-I883 HydrophobicContact CE1-CG1 4.35Å; F876-I883 HydrophobicContact CZ-CB 4.36Å; F876-I883 HydrophobicContact CZ-CD1 4.37Å
884Q94Very high91.8Very high40 Ų4034.8 Ų34.819%0.18718%0.181CC..EExtended strand (participates in β ladder)trans-110.3-29-176.8-55.4-171.3-72.700113P844 I875 N877 W939P844-Q884 WeakPolarHBondContact CD-O 3.39Å; P844-Q884 WeakPolarHBondContact CG-O 3.26Å; I875-Q884 PolarHBondContact O-N 2.85Å; N877-Q884 HydrophobicContact CB-CG 4.32Å; Q884-W939 HydrophobicContact CB-CH2 3.81Å; Q884-W939 HydrophobicContact CB-CZ2 3.7Å; Q884-W939 HydrophobicContact CG-CZ2 4.42Å
885F97.2Very high91.5Very high11 Ų1135.2 Ų35.25%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-155.2151-176-160.9-82.6000112.3P844 S846 L874 I875 H887 W939 S944 L946P844-F885 HydrophobicContact CB-CD2 3.94Å; P844-F885 HydrophobicContact CB-CE2 3.88Å; P844-F885 HydrophobicContact CG-CD2 3.6Å; P844-F885 HydrophobicContact CG-CE2 4.07Å; P844-F885 HydrophobicContact CG-CG 4.46Å; S846-F885 WeakPolarHBondContact OG-CE1 3.49Å; L874-F885 WeakPolarHBondContact CA-O 3.5Å; I875-F885 HydrophobicContact CB-CB 4.12Å; I875-F885 HydrophobicContact CG1-CB 4.18Å; I875-F885 PolarHBondContact N-O 2.96Å; I875-F885 PolarHBondContact O-N 3.23Å; F885-H887 HydrophobicContact CE1-CB 4.28Å; F885-W939 HydrophobicContact CB-CH2 3.81Å; F885-W939 HydrophobicContact CB-CZ3 3.57Å; F885-W939 HydrophobicContact CD2-CH2 4.47Å; F885-W939 AromaticContact CD2-CZ3 3.87Å; F885-W939 HydrophobicContact CD2-CZ3 3.87Å; F885-W939 AromaticContact CG-CZ3 3.89Å; F885-W939 HydrophobicContact CG-CZ3 3.89Å; F885-S944 WeakPolarHBondContact CD2-O 3.38Å; F885-L946 HydrophobicContact CD1-CB 3.73Å; F885-L946 HydrophobicContact CD1-CD2 3.96Å; F885-L946 HydrophobicContact CD1-CG 4.48Å; F885-L946 HydrophobicContact CD2-CB 4.21Å; F885-L946 HydrophobicContact CE1-CB 3.63Å; F885-L946 HydrophobicContact CE1-CD2 3.98Å; F885-L946 HydrophobicContact CE1-CG 4.47Å; F885-L946 HydrophobicContact CE2-CB 4.11Å; F885-L946 HydrophobicContact CG-CB 4.06Å; F885-L946 HydrophobicContact CZ-CB 3.84Å
886A97.5Very high91.4Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-132.9130168.600000113.2I843 P844 K845 S846 L873 L874I843-A886 HydrophobicContact CD1-CB 3.8Å; P844-A886 PolarHBondContact O-N 2.81Å; K845-A886 WeakPolarHBondContact CA-O 3.25Å; K845-A886 HydrophobicContact CG-CB 4.43Å; S846-A886 PolarHBondContact N-O 2.98Å; S846-A886 VanDerWaalsContact N-O 3.09Å; L873-A886 CarbonylContact O-C 3.59Å; L873-A886 WeakPolarHBondContact O-CA 3.33Å; L874-A886 HydrophobicContact CD2-CB 3.76Å
887H97.8Very high91.5Very high3 Ų335.4 Ų35.41%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-115.3122.3174.4-179.482.8000110.6S846 S848 S872 L873 F885 F937 L946S846-H887 WeakPolarHBondContact O-CA 3.35Å; S846-H887 PolarHBondContact OG-ND1 2.75Å; S848-H887 PolarHBondContact N-CE1 2.68Å; S872-H887 CarbonylContact C-O 3.59Å; S872-H887 WeakPolarHBondContact CA-O 3.4Å; L873-H887 HydrophobicContact CB-CB 4.31Å; L873-H887 PolarHBondContact N-O 2.82Å; L873-H887 PolarHBondContact O-N 2.76Å; F885-H887 HydrophobicContact CE1-CB 4.28Å; H887-F937 AromaticContact CD2-CZ 3.68Å; H887-F937 AromaticContact CE1-CE1 3.91Å; H887-F937 AromaticContact NE2-CE1 3.86Å; H887-F937 AromaticContact NE2-CZ 3.59Å; H887-L946 HydrophobicContact CB-CD2 3.93Å
888N97.4Very high91.8Very high26 Ų2634 Ų3414%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-90.8134.8176.3-71.9-40.9000111.6R820 S846 A847 S848 S872R820-N888 PolarHBondContact NH1-OD1 2.94Å; R820-N888 VanDerWaalsContact NH1-OD1 3.15Å; S846-N888 PolarHBondContact O-N 2.74Å; A847-N888 CarbonylContact C-O 3.54Å; A847-N888 VanDerWaalsContact CA-O 3.25Å; A847-N888 WeakPolarHBondContact CA-O 3.3Å; A847-N888 HydrophobicContact CB-CB 4.32Å; S848-N888 PolarHBondContact N-O 2.94Å; S872-N888 PolarHBondContact OG-OD1 2.81Å
889F97.3Very high92.4Very high3 Ų332.1 Ų32.11%0.01317%0.169CC..PPolyproline II helixtrans-76.5167.9171.7-68-77.8000111.6S871 L873 F891 E897 A899 V917 T919 H935 F937S871-F889 PolarHBondContact O-N 2.73Å; L873-F889 HydrophobicContact CB-CE2 3.94Å; L873-F889 HydrophobicContact CB-CZ 4.14Å; F889-F891 WeakPolarHBondContact O-CD1 3.37Å; F889-E897 HydrophobicContact CB-CB 4.16Å; F889-E897 HydrophobicContact CB-CG 4.08Å; F889-E897 WeakPolarHBondContact CB-O 3.4Å; F889-E897 HydrophobicContact CD1-CG 4.42Å; F889-A899 HydrophobicContact CD2-CB 3.75Å; F889-A899 HydrophobicContact CE2-CB 3.6Å; F889-A899 HydrophobicContact CG-CB 4.42Å; F889-A899 HydrophobicContact CZ-CB 4.18Å; F889-V917 HydrophobicContact CE1-CG1 4.11Å; F889-V917 HydrophobicContact CE2-CG1 4.35Å; F889-V917 HydrophobicContact CZ-CB 4.28Å; F889-V917 HydrophobicContact CZ-CG1 3.6Å; F889-T919 HydrophobicContact CD1-CG2 3.81Å; F889-T919 HydrophobicContact CE1-CG2 3.82Å; F889-T919 HydrophobicContact CG-CG2 4.48Å; F889-T919 HydrophobicContact CZ-CG2 4.5Å; F889-H935 AromaticContact CD1-NE2 3.94Å; F889-H935 AromaticContact CE1-CD2 3.89Å; F889-H935 AromaticContact CE1-NE2 3.86Å; F889-F937 HydrophobicContact CE1-CE2 4.43Å; F889-F937 HydrophobicContact CE1-CZ 4.34Å; F889-F937 HydrophobicContact CZ-CE2 4.34Å
890Y96Very high93.4Very high49 Ų4929.1 Ų29.119%0.19215%0.146CC..PPolyproline II helixtrans-73.2136.8-172.4177.7-97000111.5S848 L850 P851 L895 E897S848-Y890 WeakPolarHBondContact OG-CB 3.46Å; S848-Y890 PolarHBondContact OG-N 2.95Å; L850-Y890 HydrophobicContact CB-CE2 4.21Å; L850-Y890 HydrophobicContact CD1-CE1 4.23Å; L850-Y890 HydrophobicContact CD1-CE2 3.86Å; L850-Y890 VanDerWaalsContact CD1-OH 3.24Å; L850-Y890 WeakPolarHBondContact CD1-OH 3.33Å; P851-Y890 HydrophobicContact CG-CD1 4.37Å; Y890-L895 HydrophobicContact CD1-CD2 4.47Å; Y890-L895 HydrophobicContact CE1-CD2 4.21Å; Y890-E897 PolarHBondContact N-OE2 3.41Å; Y890-E897 VanDerWaalsContact N-OE2 3.11Å; Y890-E897 WeakPolarHBondContact O-CA 3.39Å; Y890-E897 WeakPolarHBondContact O-CB 3.15Å; Y890-E897 PolarHBondContact O-N 3.18Å
891F94.3Very high94.3Very high64 Ų6426.2 Ų26.228%0.28113%0.131SC..BIsolated β-bridgetrans-146157.1172.463.1-86.7000112.7F830 I868 V870 F889 L895 V896F830-F891 HydrophobicContact CB-CE2 4.19Å; F830-F891 HydrophobicContact CD2-CD2 4.22Å; F830-F891 HydrophobicContact CD2-CE2 4.36Å; I868-F891 HydrophobicContact CD1-CB 4Å; I868-F891 HydrophobicContact CD1-CD2 3.36Å; I868-F891 HydrophobicContact CD1-CE2 4.06Å; I868-F891 HydrophobicContact CD1-CG 3.92Å; V870-F891 HydrophobicContact CB-CD1 4.35Å; V870-F891 HydrophobicContact CB-CE1 4.41Å; V870-F891 HydrophobicContact CG1-CD1 3.58Å; V870-F891 HydrophobicContact CG1-CE1 3.52Å; V870-F891 HydrophobicContact CG1-CG 4.4Å; V870-F891 HydrophobicContact CG1-CZ 4.28Å; V870-F891 HydrophobicContact CG2-CD1 3.83Å; V870-F891 HydrophobicContact CG2-CD2 3.96Å; V870-F891 HydrophobicContact CG2-CE1 3.92Å; V870-F891 HydrophobicContact CG2-CE2 4.03Å; V870-F891 HydrophobicContact CG2-CG 3.85Å; V870-F891 HydrophobicContact CG2-CZ 4.01Å; F889-F891 WeakPolarHBondContact O-CD1 3.37Å; F891-L895 CarbonylContact C-O 3.56Å; F891-V896 HydrophobicContact CB-CG1 4.28Å
892S91.9Very high95Very high23 Ų2325.9 Ų25.916%0.16113%0.129CC..  trans-162.3178.3-177.769.20000110.2T894 L895S892-T894 PolarHBondContact O-N 2.82Å; S892-T894 PolarHBondContact OG-N 2.92Å; S892-L895 PolarHBondContact N-O 2.87Å; S892-L895 PolarHBondContact OG-N 3.44Å; S892-L895 PolarHBondContact OG-O 3.01Å
893Q90.3Very high95.5Very high50 Ų5020.4 Ų20.423%0.23411%0.105CC..SBendtrans-67.1-18.1177.1-74.2-163.8-51.500114.7F824 F830 K864 F865F824-Q893 HydrophobicContact CD2-CG 3.92Å; F824-Q893 HydrophobicContact CE2-CG 3.81Å; F824-Q893 HydrophobicContact CZ-CG 4.49Å; F830-Q893 HydrophobicContact CE2-CG 3.96Å; F830-Q893 HydrophobicContact CZ-CG 4.24Å; K864-Q893 CarbonylContact C-O 3.52Å; K864-Q893 VanDerWaalsContact CA-O 3.31Å; K864-Q893 WeakPolarHBondContact CA-O 3.36Å; K864-Q893 HydrophobicContact CB-CB 4.34Å; K864-Q893 HydrophobicContact CD-CB 4.45Å; K864-Q893 HydrophobicContact CG-CB 4.3Å; F865-Q893 WeakPolarHBondContact CD2-O 3.3Å; F865-Q893 PolarHBondContact N-O 2.99Å
894T89.5Confident95.6Very high43 Ų4320.1 Ų20.126%0.26411%0.107SC..SBendtrans-125-6.1-172.557.50000113.4K864 S892K864-T894 HydrophobicContact CG-CG2 4.37Å; S892-T894 PolarHBondContact O-N 2.82Å; S892-T894 PolarHBondContact OG-N 2.92Å
895L91.5Very high95.6Very high10 Ų1018.3 Ų18.35%0.05210%0.099CC..  trans-154.9123.9-174.3-17368.2000109.8P851 P855 V858 Y890 F891 S892 F921 V923P851-L895 HydrophobicContact CG-CD2 3.77Å; P855-L895 HydrophobicContact CG-CD1 3.59Å; V858-L895 HydrophobicContact CG2-CD1 4.35Å; Y890-L895 HydrophobicContact CD1-CD2 4.47Å; Y890-L895 HydrophobicContact CE1-CD2 4.21Å; F891-L895 CarbonylContact C-O 3.56Å; S892-L895 PolarHBondContact N-O 2.87Å; S892-L895 PolarHBondContact OG-N 3.44Å; S892-L895 PolarHBondContact OG-O 3.01Å; L895-F921 HydrophobicContact CD1-CB 3.79Å; L895-F921 HydrophobicContact CD1-CD1 3.91Å; L895-F921 HydrophobicContact CD1-CG 4.1Å; L895-F921 HydrophobicContact CD2-CD1 4.08Å; L895-F921 HydrophobicContact CD2-CE1 4.34Å; L895-F921 HydrophobicContact CG-CD1 3.94Å; L895-V923 HydrophobicContact CD1-CG2 3.89Å
896V94.2Very high95.4Very high5 Ų521.6 Ų21.63%0.0311%0.114CC..EExtended strand (participates in β ladder)trans-122.8129176.7-175.50000109.2F865 I868 F891 V898 F921 L922F865-V896 HydrophobicContact CD2-CG2 3.94Å; F865-V896 HydrophobicContact CE2-CG2 3.98Å; I868-V896 HydrophobicContact CB-CG2 4.1Å; I868-V896 HydrophobicContact CG2-CG2 3.6Å; F891-V896 HydrophobicContact CB-CG1 4.28Å; V896-V898 HydrophobicContact CG1-CG2 4.05Å; V896-F921 CarbonylContact O-C 3.56Å; V896-F921 WeakPolarHBondContact O-CA 3.49Å; V896-L922 PolarHBondContact N-O 3.41Å; V896-L922 PolarHBondContact O-N 3.04Å
897E96.7Very high94.9Very high1 Ų121.7 Ų21.71%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-92111.8171.2-175.1179.4-145.900109.7S848 F889 Y890 T919 A920 F921 R933 H935S848-E897 PolarHBondContact OG-OE2 2.83Å; F889-E897 HydrophobicContact CB-CB 4.16Å; F889-E897 HydrophobicContact CB-CG 4.08Å; F889-E897 WeakPolarHBondContact CB-O 3.4Å; F889-E897 HydrophobicContact CD1-CG 4.42Å; Y890-E897 PolarHBondContact N-OE2 3.41Å; Y890-E897 VanDerWaalsContact N-OE2 3.11Å; Y890-E897 WeakPolarHBondContact O-CA 3.39Å; Y890-E897 WeakPolarHBondContact O-CB 3.15Å; Y890-E897 PolarHBondContact O-N 3.18Å; E897-T919 HydrophobicContact CG-CG2 3.95Å; E897-T919 PolarHBondContact OE1-OG1 2.81Å; E897-A920 CarbonylContact C-O 3.44Å; E897-A920 WeakPolarHBondContact CA-O 3.37Å; E897-F921 HydrophobicContact CB-CD1 3.99Å; E897-F921 HydrophobicContact CB-CE1 3.75Å; E897-F921 HydrophobicContact CG-CD1 4.39Å; E897-F921 HydrophobicContact CG-CE1 4Å; E897-R933 IonicContact OE1-CZ 3.4Å; E897-R933 IonicContact OE1-NE 3.39Å; E897-R933 PolarHBondContact OE1-NE 3Å; E897-R933 IonicContact OE1-NH2 3.41Å; E897-R933 PolarHBondContact OE1-NH2 3.05Å; E897-R933 VanDerWaalsContact OE1-NH2 3.11Å; E897-R933 IonicContact OE2-CZ 2.65Å; E897-R933 IonicContact OE2-NE 3.91Å; E897-R933 IonicContact OE2-NH2 2.7Å; E897-R933 PolarHBondContact OE2-NH2 3.15Å; E897-H935 IonicContact OE1-CD2 2.73Å; E897-H935 IonicContact OE1-CE1 3.94Å; E897-H935 IonicContact OE1-NE2 3.95Å; E897-H935 PolarHBondContact OE1-NE2 3.17Å; E897-H935 IonicContact OE2-NE2 2.79Å
898V96.9Very high94.2Very high12 Ų1227.7 Ų27.77%0.07315%0.147CC..EExtended strand (participates in β ladder)trans-100.5133.4177.6177.20000109.6S871 V896 V900 T919 A920 L922S871-V898 WeakPolarHBondContact OG-CA 3.4Å; V896-V898 HydrophobicContact CG1-CG2 4.05Å; V898-V900 HydrophobicContact CG1-CG2 4.5Å; V898-T919 CarbonylContact O-C 3.57Å; V898-T919 WeakPolarHBondContact O-CA 3.43Å; V898-T919 VanDerWaalsContact O-CB 3.31Å; V898-T919 WeakPolarHBondContact O-CB 3.04Å; V898-A920 PolarHBondContact N-O 3.5Å; V898-A920 PolarHBondContact O-N 2.87Å; V898-L922 HydrophobicContact CB-CD1 4.48Å; V898-L922 HydrophobicContact CG2-CD1 3.56Å; V898-L922 HydrophobicContact CG2-CG 3.9Å
899A98.1Very high93.5Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-87.8131.5175.100000110.4I817 S871 F889 V917 T919I817-A899 HydrophobicContact CD1-CB 3.96Å; I817-A899 HydrophobicContact CG1-CB 4.2Å; I817-A899 HydrophobicContact CG2-CB 3.56Å; S871-A899 PolarHBondContact OG-N 2.94Å; F889-A899 HydrophobicContact CD2-CB 3.75Å; F889-A899 HydrophobicContact CE2-CB 3.6Å; F889-A899 HydrophobicContact CG-CB 4.42Å; F889-A899 HydrophobicContact CZ-CB 4.18Å; A899-V917 HydrophobicContact CB-CG1 4.05Å; A899-T919 HydrophobicContact CB-CG2 4.26Å
900V97.3Very high92.8Very high33 Ų3331.3 Ų31.320%0.216%0.164CC..EExtended strand (participates in β ladder)trans-123.2-31.5-165.5-173.90000112.2R804 V898 G918 A920 Y959R804-V900 PolarHBondContact NH1-O 3.2Å; V898-V900 HydrophobicContact CG1-CG2 4.5Å; V900-G918 PolarHBondContact N-O 3.15Å; V900-A920 HydrophobicContact CG2-CB 4.09Å; V900-Y959 HydrophobicContact CG1-CD1 4.12Å
901S98Very high92.1Very high0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-145.4148.9179.359.30000112.8I817 V917 G918 V958I817-S901 WeakPolarHBondContact CD1-O 3.44Å; S901-V917 CarbonylContact O-C 3.55Å; S901-V917 WeakPolarHBondContact O-CA 3.45Å; S901-G918 PolarHBondContact N-O 3.01Å; S901-G918 PolarHBondContact O-N 3.13Å; S901-V958 PolarHBondContact OG-O 3.08Å
902I98.2Very high91.8Very high7 Ų733.8 Ų33.84%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-135.8146.9173.9-172.5172.7000109.3R804 A806 I817 L873 F915 A916 V917R804-I902 HydrophobicContact CB-CG2 4.02Å; A806-I902 HydrophobicContact CB-CB 4.37Å; A806-I902 HydrophobicContact CB-CD1 4.03Å; A806-I902 HydrophobicContact CB-CG1 3.75Å; A806-I902 HydrophobicContact CB-CG2 4Å; I817-I902 HydrophobicContact CD1-CB 3.68Å; I817-I902 HydrophobicContact CD1-CG2 4.03Å; I817-I902 HydrophobicContact CG1-CB 4.22Å; I817-I902 HydrophobicContact CG1-CG2 4.38Å; L873-I902 HydrophobicContact CD1-CD1 3.63Å; I902-F915 HydrophobicContact CD1-CD1 3.92Å; I902-F915 HydrophobicContact CD1-CE1 4.47Å; I902-F915 HydrophobicContact CG1-CD1 4.28Å; I902-A916 CarbonylContact C-O 3.6Å; I902-A916 VanDerWaalsContact CA-O 3.31Å; I902-A916 WeakPolarHBondContact CA-O 3.27Å; I902-V917 HydrophobicContact CB-CG2 4.35Å; I902-V917 HydrophobicContact CD1-CG2 4.22Å; I902-V917 HydrophobicContact CG1-CG2 4Å
903A97.4Very high91.9Very high13 Ų1333.7 Ų33.711%0.10719%0.186CC..EExtended strand (participates in β ladder)trans-147.9153.9164.900000109.5V905 A916 I961A903-V905 HydrophobicContact CB-CG2 4.18Å; A903-A916 PolarHBondContact N-O 3.33Å; A903-A916 PolarHBondContact O-N 2.83Å; A903-I961 HydrophobicContact CB-CB 4.41Å; A903-I961 HydrophobicContact CB-CG2 4.12Å
904S96.1Very high92.2Very high30 Ų3031.4 Ų31.421%0.2118%0.175CC..EExtended strand (participates in β ladder)trans-83.4133.3156.9-1690000108.3L807 Q808 L914L807-S904 WeakPolarHBondContact O-CB 3.4Å; Q808-S904 WeakPolarHBondContact CG-OG 3.45Å; Q808-S904 PolarHBondContact OE1-OG 3.22Å; S904-L914 WeakPolarHBondContact CA-O 3.33Å
905V95.1Very high92.6Very high2 Ų229.3 Ų29.31%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-131130-175.9-178.90000108.7A903 L914 A916 I961 D963 I981A903-V905 HydrophobicContact CB-CG2 4.18Å; V905-L914 PolarHBondContact N-O 2.63Å; V905-L914 PolarHBondContact O-N 2.79Å; V905-A916 HydrophobicContact CB-CB 4.44Å; V905-A916 HydrophobicContact CG2-CB 3.67Å; V905-I961 HydrophobicContact CG2-CG2 4.37Å; V905-D963 HydrophobicContact CG1-CB 4.46Å; V905-D963 HydrophobicContact CG2-CB 4.38Å; V905-I981 HydrophobicContact CG1-CD1 4.1Å
906Q91.8Very high92.9Very high80 Ų8028.9 Ų28.937%0.37416%0.16SC..EExtended strand (participates in β ladder)trans-80.8132178.6-171.764.52.500110D963Q906-D963 PolarHBondContact N-OD1 3.22Å
907S86.6Confident93.1Very high1 Ų128.6 Ų28.61%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-118.7112.2176.9-172.50000111.8I909 H910 N911 G912S907-I909 VanDerWaalsContact C-N 3.26Å; S907-I909 PolarHBondContact O-N 2.89Å; S907-H910 PolarHBondContact OG-CD2 2.91Å; S907-H910 PolarHBondContact OG-N 3.27Å; S907-N911 PolarHBondContact O-N 3.36Å; S907-G912 PolarHBondContact N-O 2.89Å; S907-G912 PolarHBondContact O-N 2.84Å
908D83.5Confident93.2Very high129 Ų12928.6 Ų28.669%0.6916%0.159SC*.THydrogen-bonded Turntrans-60.5-37173.5-59.7-24.3000111.8
909I83.4Confident93.2Very high72 Ų7228 Ų2837%0.36916%0.155SC..THydrogen-bonded Turntrans-73.8-42.3-176.6-63.7179.3000111.4S907 N911 I981 K982 E983S907-I909 VanDerWaalsContact C-N 3.26Å; S907-I909 PolarHBondContact O-N 2.89Å; I909-N911 VanDerWaalsContact C-N 3.28Å; I909-I981 WeakPolarHBondContact CD1-O 3.1Å; I909-K982 HydrophobicContact CD1-CD 4.46Å; I909-E983 HydrophobicContact CG2-CG 3.64Å
910H81.3Confident93.2Very high33 Ų3328.1 Ų28.115%0.15316%0.156CC..THydrogen-bonded Turntrans-88.72.5179-62-57.7000113.3S907 G912 L914S907-H910 PolarHBondContact OG-CD2 2.91Å; S907-H910 PolarHBondContact OG-N 3.27Å; H910-G912 PolarHBondContact O-N 2.92Å; H910-L914 HydrophobicContact CB-CD1 4.29Å
911N82.8Confident93.1Very high150 Ų15026.6 Ų26.680%0.80215%0.147SC*.THydrogen-bonded Turntrans51.352176.6-16852.3000113.5S907 I909S907-N911 PolarHBondContact O-N 3.36Å; I909-N911 VanDerWaalsContact C-N 3.28Å
912G87.8Confident92.9Very high15 Ų1529.9 Ų29.916%0.15516%0.164CC..EExtended strand (participates in β ladder)trans167.2177.2178.200000114.3S907 H910S907-G912 PolarHBondContact N-O 2.89Å; S907-G912 PolarHBondContact O-N 2.84Å; H910-G912 PolarHBondContact O-N 2.92Å
913P94.3Very high92.5Very high21 Ų2130.1 Ų30.114%0.13617%0.166CC..EExtended strand (participates in β ladder)trans-76.9147.617735.5-39.4000111.2Q808 E810 T811Q808-P913 HydrophobicContact CG-CB 3.83Å; Q808-P913 HydrophobicContact CG-CG 4.01Å; E810-P913 HydrophobicContact CB-CG 4.06Å; E810-P913 HydrophobicContact CG-CG 4.43Å; T811-P913 HydrophobicContact CG2-CG 4.27Å
914L96.1Very high91.8Very high2 Ų233.4 Ų33.41%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-132.5140.2177.3-60.6174.5000110S904 V905 H910 A916 L936 F937 R938 V949S904-L914 WeakPolarHBondContact CA-O 3.33Å; V905-L914 PolarHBondContact N-O 2.63Å; V905-L914 PolarHBondContact O-N 2.79Å; H910-L914 HydrophobicContact CB-CD1 4.29Å; L914-A916 PolarHBondContact O-N 3.16Å; L914-L936 HydrophobicContact CD1-CB 4.35Å; L914-L936 HydrophobicContact CD1-CD1 4.23Å; L914-F937 CarbonylContact C-O 3.56Å; L914-F937 WeakPolarHBondContact CA-O 3.4Å; L914-R938 HydrophobicContact CD2-CB 3.73Å; L914-R938 HydrophobicContact CD2-CG 4Å; L914-V949 HydrophobicContact CD2-CG2 3.95Å
915F97.7Very high91.2Very high0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans-77.2113.3165.2-74.6-67.1000109A806 Q808 I875 I902 F937 W939A806-F915 HydrophobicContact CB-CD1 4.4Å; A806-F915 HydrophobicContact CB-CE1 4.23Å; Q808-F915 HydrophobicContact CB-CE1 3.89Å; Q808-F915 HydrophobicContact CB-CE2 4.25Å; Q808-F915 HydrophobicContact CB-CZ 3.55Å; Q808-F915 HydrophobicContact CG-CZ 4.44Å; I875-F915 HydrophobicContact CD1-CD2 3.99Å; I875-F915 HydrophobicContact CD1-CE2 3.86Å; I875-F915 HydrophobicContact CD1-CZ 4.49Å; I902-F915 HydrophobicContact CD1-CD1 3.92Å; I902-F915 HydrophobicContact CD1-CE1 4.47Å; I902-F915 HydrophobicContact CG1-CD1 4.28Å; F915-F937 HydrophobicContact CB-CB 4.38Å; F915-F937 PolarHBondContact N-O 2.86Å; F915-F937 PolarHBondContact O-N 2.93Å; F915-W939 HydrophobicContact CD2-CB 4.26Å; F915-W939 HydrophobicContact CE2-CB 4.09Å
916A97.9Very high90.8Very high0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-94.5117.7172.200000109.6I902 A903 V905 L914 H935 L936 I961 L968I902-A916 CarbonylContact C-O 3.6Å; I902-A916 VanDerWaalsContact CA-O 3.31Å; I902-A916 WeakPolarHBondContact CA-O 3.27Å; A903-A916 PolarHBondContact N-O 3.33Å; A903-A916 PolarHBondContact O-N 2.83Å; V905-A916 HydrophobicContact CB-CB 4.44Å; V905-A916 HydrophobicContact CG2-CB 3.67Å; L914-A916 PolarHBondContact O-N 3.16Å; A916-H935 CarbonylContact C-O 3.48Å; A916-H935 WeakPolarHBondContact CA-O 3.41Å; A916-L936 HydrophobicContact CB-CD2 3.65Å; A916-I961 HydrophobicContact CB-CD1 4.26Å; A916-I961 HydrophobicContact CB-CG2 3.97Å; A916-L968 HydrophobicContact CB-CD1 3.87Å
917V98.6Very high90.6Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-113.5124.8177.61760000111I817 L873 F889 A899 S901 I902 T919 I934 H935 F937I817-V917 HydrophobicContact CD1-CG1 3.93Å; L873-V917 HydrophobicContact CD1-CG2 4.49Å; L873-V917 HydrophobicContact CD2-CG2 4.11Å; F889-V917 HydrophobicContact CE1-CG1 4.11Å; F889-V917 HydrophobicContact CE2-CG1 4.35Å; F889-V917 HydrophobicContact CZ-CB 4.28Å; F889-V917 HydrophobicContact CZ-CG1 3.6Å; A899-V917 HydrophobicContact CB-CG1 4.05Å; S901-V917 CarbonylContact O-C 3.55Å; S901-V917 WeakPolarHBondContact O-CA 3.45Å; I902-V917 HydrophobicContact CB-CG2 4.35Å; I902-V917 HydrophobicContact CD1-CG2 4.22Å; I902-V917 HydrophobicContact CG1-CG2 4Å; V917-T919 HydrophobicContact CG1-CG2 4.11Å; V917-I934 WeakPolarHBondContact O-CA 3.33Å; V917-H935 PolarHBondContact N-O 2.98Å; V917-H935 PolarHBondContact O-N 2.82Å; V917-F937 HydrophobicContact CB-CE2 4.28Å; V917-F937 HydrophobicContact CG2-CD2 4.32Å; V917-F937 HydrophobicContact CG2-CE2 4.21Å
918G98.3Very high90.7Very high0 Ų046 Ų460%025%0.248CC..EExtended strand (participates in β ladder)trans-94.8128.7173.100000111.5V900 S901V900-G918 PolarHBondContact N-O 3.15Å; S901-G918 PolarHBondContact N-O 3.01Å; S901-G918 PolarHBondContact O-N 3.13Å
919T98Very high91.1Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-121.7163.5-179.669.40000112.3F889 E897 V898 A899 V917 G932 R933F889-T919 HydrophobicContact CD1-CG2 3.81Å; F889-T919 HydrophobicContact CE1-CG2 3.82Å; F889-T919 HydrophobicContact CG-CG2 4.48Å; F889-T919 HydrophobicContact CZ-CG2 4.5Å; E897-T919 HydrophobicContact CG-CG2 3.95Å; E897-T919 PolarHBondContact OE1-OG1 2.81Å; V898-T919 CarbonylContact O-C 3.57Å; V898-T919 WeakPolarHBondContact O-CA 3.43Å; V898-T919 VanDerWaalsContact O-CB 3.31Å; V898-T919 WeakPolarHBondContact O-CB 3.04Å; A899-T919 HydrophobicContact CB-CG2 4.26Å; V917-T919 HydrophobicContact CG1-CG2 4.11Å; T919-G932 WeakPolarHBondContact O-CA 3.3Å; T919-R933 PolarHBondContact N-O 3.46Å; T919-R933 PolarHBondContact O-N 2.86Å; T919-R933 WeakPolarHBondContact OG1-CB 3.46Å; T919-R933 PolarHBondContact OG1-N 2.97Å; T919-R933 VanDerWaalsContact OG1-N 3.09Å; T919-R933 PolarHBondContact OG1-O 3.01Å
920A96.7Very high91.6Very high2 Ų239.1 Ų39.12%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-128.3150.1170.600000109.5E897 V898 V900 P929E897-A920 CarbonylContact C-O 3.44Å; E897-A920 WeakPolarHBondContact CA-O 3.37Å; V898-A920 PolarHBondContact N-O 3.5Å; V898-A920 PolarHBondContact O-N 2.87Å; V900-A920 HydrophobicContact CG2-CB 4.09Å; A920-P929 HydrophobicContact CB-CB 4.03Å; A920-P929 HydrophobicContact CB-CG 4.13Å
921F95.5Very high92.2Very high1 Ų139.6 Ų39.60%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-97.8126.2170.1-72-66.1000110.2P851 P855 L895 V896 E897 P929 K931 R933P851-F921 HydrophobicContact CB-CE1 4.14Å; P851-F921 HydrophobicContact CB-CE2 4.31Å; P851-F921 HydrophobicContact CB-CZ 3.6Å; P851-F921 HydrophobicContact CG-CE1 3.85Å; P851-F921 HydrophobicContact CG-CZ 3.85Å; P855-F921 HydrophobicContact CG-CB 3.99Å; L895-F921 HydrophobicContact CD1-CB 3.79Å; L895-F921 HydrophobicContact CD1-CD1 3.91Å; L895-F921 HydrophobicContact CD1-CG 4.1Å; L895-F921 HydrophobicContact CD2-CD1 4.08Å; L895-F921 HydrophobicContact CD2-CE1 4.34Å; L895-F921 HydrophobicContact CG-CD1 3.94Å; V896-F921 CarbonylContact O-C 3.56Å; V896-F921 WeakPolarHBondContact O-CA 3.49Å; E897-F921 HydrophobicContact CB-CD1 3.99Å; E897-F921 HydrophobicContact CB-CE1 3.75Å; E897-F921 HydrophobicContact CG-CD1 4.39Å; E897-F921 HydrophobicContact CG-CE1 4Å; F921-P929 WeakPolarHBondContact O-CB 3.08Å; F921-K931 HydrophobicContact CB-CB 4.4Å; F921-K931 HydrophobicContact CD2-CB 3.73Å; F921-K931 PolarHBondContact N-O 2.78Å; F921-R933 HydrophobicContact CE2-CG 3.63Å; F921-R933 HydrophobicContact CZ-CG 3.77Å
922L92.9Very high92.9Very high70 Ų7032.5 Ų32.537%0.36618%0.179SC..EExtended strand (participates in β ladder)trans-99.2136.8173.9-56.4-172.1000110.8V896 V898 P929V896-L922 PolarHBondContact N-O 3.41Å; V896-L922 PolarHBondContact O-N 3.04Å; V898-L922 HydrophobicContact CB-CD1 4.48Å; V898-L922 HydrophobicContact CG2-CD1 3.56Å; V898-L922 HydrophobicContact CG2-CG 3.9Å; L922-P929 HydrophobicContact CD2-CG 3.75Å
923V90.8Very high93.3Very high11 Ų1132.2 Ų32.27%0.06717%0.174CC..  trans-132.2137.8172-176.50000106.9P855 V858 L895 D925 E926P855-V923 HydrophobicContact CB-CG2 4.19Å; P855-V923 HydrophobicContact CG-CG2 3.97Å; V858-V923 HydrophobicContact CG2-CG2 4.04Å; L895-V923 HydrophobicContact CD1-CG2 3.89Å; V923-D925 VanDerWaalsContact C-N 3.29Å; V923-D925 PolarHBondContact O-N 3.21Å; V923-D925 VanDerWaalsContact O-N 3.16Å; V923-E926 HydrophobicContact CB-CB 4.15Å; V923-E926 PolarHBondContact O-N 3Å
924E83Confident93.5Very high82 Ų8231.2 Ų31.238%0.38317%0.167SC..THydrogen-bonded Turntrans-58.7-33.9-163.8-162.5179.4145.100114.4R863 K864 F865R863-E924 VanDerWaalsContact CB-CD 3.49Å; R863-E924 HydrophobicContact CB-CG 4.48Å; R863-E924 VanDerWaalsContact CB-OE2 3.25Å; R863-E924 WeakPolarHBondContact CB-OE2 3.39Å; R863-E924 WeakPolarHBondContact CD-OE1 3.26Å; K864-E924 VanDerWaalsContact C-OE2 3.26Å; K864-E924 PolarHBondContact N-OE2 3.02Å; F865-E924 HydrophobicContact CD1-CB 4.4Å; F865-E924 HydrophobicContact CD1-CG 4.39Å; F865-E924 HydrophobicContact CE1-CB 3.84Å; F865-E924 HydrophobicContact CE1-CG 4.1Å; F865-E924 HydrophobicContact CZ-CB 4Å; F865-E924 PolarHBondContact N-OE2 3.49Å
925D82.8Confident93.5Very high98 Ų9831.2 Ų31.252%0.52417%0.167SC..THydrogen-bonded Turntrans-96.77.7-178.9-59.9-53000113.6R863 V923R863-D925 IonicContact NH1-OD1 3.77Å; V923-D925 VanDerWaalsContact C-N 3.29Å; V923-D925 PolarHBondContact O-N 3.21Å; V923-D925 VanDerWaalsContact O-N 3.16Å
926E87.3Confident93.5Very high49 Ų4931.3 Ų31.323%0.22917%0.167CC..  trans-100.3117.4-175.7-172.9170.3-150.500112.7V923 E928 S930V923-E926 HydrophobicContact CB-CB 4.15Å; V923-E926 PolarHBondContact O-N 3Å; E926-E928 VanDerWaalsContact CG-O 3.28Å; E926-E928 WeakPolarHBondContact CG-O 3.2Å; E926-S930 WeakPolarHBondContact OE1-CB 3.4Å; E926-S930 PolarHBondContact OE1-N 3.34Å; E926-S930 PolarHBondContact OE1-OG 3.4Å
927V87Confident93.5Very high154 Ų15431.3 Ų31.393%0.93317%0.167SC*.SBendtrans-72-34.5-176.1-1770000113.4
928E88.9Confident93.3Very high77 Ų7736 Ų3636%0.3619%0.185SC..SBendtrans-137.5129.1174.8-175.6-172.5-166.700109.1E926 S930 N973E926-E928 VanDerWaalsContact CG-O 3.28Å; E926-E928 WeakPolarHBondContact CG-O 3.2Å; E928-S930 PolarHBondContact O-N 2.81Å; E928-S930 VanDerWaalsContact O-N 3.11Å; E928-N973 VanDerWaalsContact CD-ND2 3.28Å; E928-N973 VanDerWaalsContact OE1-CB 3.31Å; E928-N973 WeakPolarHBondContact OE1-CB 3.44Å; E928-N973 PolarHBondContact OE1-ND2 2.83Å
929P92.7Very high93.2Very high17 Ų1736.3 Ų36.311%0.1119%0.186CC..  trans-55.7115.5-179.5-29.637.9000113.6A920 F921 L922 K931 G956 N973A920-P929 HydrophobicContact CB-CB 4.03Å; A920-P929 HydrophobicContact CB-CG 4.13Å; F921-P929 WeakPolarHBondContact O-CB 3.08Å; L922-P929 HydrophobicContact CD2-CG 3.75Å; P929-K931 VanDerWaalsContact C-N 3.29Å; P929-K931 PolarHBondContact O-N 3.42Å; P929-G956 WeakPolarHBondContact O-CA 3.44Å; P929-N973 PolarHBondContact O-ND2 2.85Å
930S92.9Very high93.1Very high40 Ų4038.8 Ų38.828%0.2820%0.199SC..SBendtrans-76.4-13174.458.80000114E926 E928 N955 G956E926-S930 WeakPolarHBondContact OE1-CB 3.4Å; E926-S930 PolarHBondContact OE1-N 3.34Å; E926-S930 PolarHBondContact OE1-OG 3.4Å; E928-S930 PolarHBondContact O-N 2.81Å; E928-S930 VanDerWaalsContact O-N 3.11Å; S930-N955 CarbonylContact O-C 3.45Å; S930-N955 WeakPolarHBondContact O-CA 3.24Å; S930-G956 PolarHBondContact O-N 2.94Å
931K95.2Very high92.7Very high43 Ų4341.1 Ų41.119%0.18722%0.215CC..  trans-138.9153.4-176.3-68.8-65.7-170169.80112.6P855 F921 P929 V954 N955 G956P855-K931 HydrophobicContact CB-CG 4.32Å; P855-K931 HydrophobicContact CG-CB 4.25Å; P855-K931 HydrophobicContact CG-CG 4.34Å; F921-K931 HydrophobicContact CB-CB 4.4Å; F921-K931 HydrophobicContact CD2-CB 3.73Å; F921-K931 PolarHBondContact N-O 2.78Å; P929-K931 VanDerWaalsContact C-N 3.29Å; P929-K931 PolarHBondContact O-N 3.42Å; K931-V954 WeakPolarHBondContact CA-O 3.4Å; K931-V954 WeakPolarHBondContact CD-O 3.38Å; K931-N955 PolarHBondContact NZ-OD1 3.18Å; K931-G956 CarbonylContact C-O 3.54Å
932G96Very high92.4Very high0 Ų050 Ų500%026%0.256CS..EExtended strand (participates in β ladder)trans-163.6-177.5174.900000111T919 V954 G956T919-G932 WeakPolarHBondContact O-CA 3.3Å; G932-V954 PolarHBondContact N-O 2.93Å; G932-V954 WeakPolarHBondContact O-CG2 3.29Å; G932-V954 PolarHBondContact O-N 2.75Å; G932-G956 WeakPolarHBondContact CA-O 3.35Å; G932-G956 PolarHBondContact N-O 2.91Å
933R96.6Very high92.3Very high10 Ų1049.4 Ų49.44%0.03826%0.258CS..EExtended strand (participates in β ladder)trans-136.3157.9175.1-54-165.3-72.1-168.4-6.6111.8S848 R849 E897 T919 F921 V951 H952 D953S848-R933 PolarHBondContact OG-NH2 2.8Å; R849-R933 PolarHBondContact O-NH1 2.85Å; R849-R933 VanDerWaalsContact O-NH1 3.17Å; R849-R933 PolarHBondContact O-NH2 3.13Å; E897-R933 IonicContact OE1-CZ 3.4Å; E897-R933 IonicContact OE1-NE 3.39Å; E897-R933 PolarHBondContact OE1-NE 3Å; E897-R933 IonicContact OE1-NH2 3.41Å; E897-R933 PolarHBondContact OE1-NH2 3.05Å; E897-R933 VanDerWaalsContact OE1-NH2 3.11Å; E897-R933 IonicContact OE2-CZ 2.65Å; E897-R933 IonicContact OE2-NE 3.91Å; E897-R933 IonicContact OE2-NH2 2.7Å; E897-R933 PolarHBondContact OE2-NH2 3.15Å; T919-R933 PolarHBondContact N-O 3.46Å; T919-R933 PolarHBondContact O-N 2.86Å; T919-R933 WeakPolarHBondContact OG1-CB 3.46Å; T919-R933 PolarHBondContact OG1-N 2.97Å; T919-R933 VanDerWaalsContact OG1-N 3.09Å; T919-R933 PolarHBondContact OG1-O 3.01Å; F921-R933 HydrophobicContact CE2-CG 3.63Å; F921-R933 HydrophobicContact CZ-CG 3.77Å; R933-V951 HydrophobicContact CB-CG1 4.3Å; R933-H952 CarbonylContact C-O 3.58Å; R933-H952 VanDerWaalsContact CA-O 3.32Å; R933-H952 WeakPolarHBondContact CA-O 3.35Å; R933-D953 WeakPolarHBondContact CD-OD1 3.03Å; R933-D953 WeakPolarHBondContact CG-OD1 3.47Å
934I97.6Very high92.2Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-113.2118.1164-58.6174000107.2V917 L936 V951 H952 V954 V958 I961 L968 A970 F979 L986V917-I934 WeakPolarHBondContact O-CA 3.33Å; I934-L936 HydrophobicContact CG2-CD2 4.44Å; I934-V951 WeakPolarHBondContact O-CA 3.44Å; I934-H952 PolarHBondContact N-O 3.24Å; I934-H952 PolarHBondContact O-N 2.92Å; I934-V954 HydrophobicContact CD1-CG1 4.19Å; I934-V954 HydrophobicContact CG1-CG1 4.34Å; I934-V958 HydrophobicContact CG1-CG1 4.35Å; I934-V958 HydrophobicContact CG1-CG2 4.04Å; I934-I961 HydrophobicContact CG1-CD1 4.48Å; I934-I961 HydrophobicContact CG2-CD1 4.02Å; I934-L968 HydrophobicContact CD1-CD2 4.05Å; I934-L968 HydrophobicContact CG2-CD1 3.89Å; I934-A970 HydrophobicContact CD1-CB 4.29Å; I934-F979 HydrophobicContact CD1-CE2 4.15Å; I934-L986 HydrophobicContact CB-CD1 4.03Å; I934-L986 HydrophobicContact CD1-CD1 3.98Å; I934-L986 HydrophobicContact CG2-CD1 3.82Å
935H97.5Very high92.8Very high2 Ų252.7 Ų52.71%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-100.9135.7174.2-58.8-107.1000109.2F889 E897 A916 V917 F937 L950F889-H935 AromaticContact CD1-NE2 3.94Å; F889-H935 AromaticContact CE1-CD2 3.89Å; F889-H935 AromaticContact CE1-NE2 3.86Å; E897-H935 IonicContact OE1-CD2 2.73Å; E897-H935 IonicContact OE1-CE1 3.94Å; E897-H935 IonicContact OE1-NE2 3.95Å; E897-H935 PolarHBondContact OE1-NE2 3.17Å; E897-H935 IonicContact OE2-NE2 2.79Å; A916-H935 CarbonylContact C-O 3.48Å; A916-H935 WeakPolarHBondContact CA-O 3.41Å; V917-H935 PolarHBondContact N-O 2.98Å; V917-H935 PolarHBondContact O-N 2.82Å; H935-F937 HydrophobicContact CB-CD2 4.13Å; H935-F937 HydrophobicContact CB-CE2 3.42Å; H935-F937 VanDerWaalsContact CB-CE2 3.42Å; H935-F937 HydrophobicContact CB-CZ 3.67Å; H935-L950 CarbonylContact C-O 3.56Å; H935-L950 WeakPolarHBondContact CA-O 3.14Å
936L97.1Very high93.4Very high1 Ų148.5 Ų48.51%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-111118.8168-58.2-175.5000108.8L914 A916 I934 V949 L950 L968 I981 L986L914-L936 HydrophobicContact CD1-CB 4.35Å; L914-L936 HydrophobicContact CD1-CD1 4.23Å; A916-L936 HydrophobicContact CB-CD2 3.65Å; I934-L936 HydrophobicContact CG2-CD2 4.44Å; L936-V949 HydrophobicContact CB-CB 4.36Å; L936-V949 WeakPolarHBondContact O-CB 3.34Å; L936-V949 PolarHBondContact O-N 3.05Å; L936-L950 HydrophobicContact CB-CB 4.15Å; L936-L950 HydrophobicContact CD1-CB 4.14Å; L936-L950 HydrophobicContact CD1-CD2 4.11Å; L936-L950 HydrophobicContact CG-CB 4.23Å; L936-L950 PolarHBondContact N-O 2.67Å; L936-L950 PolarHBondContact O-N 3.34Å; L936-L968 HydrophobicContact CD2-CD1 3.82Å; L936-I981 HydrophobicContact CD1-CG2 4.38Å; L936-L986 HydrophobicContact CD1-CD2 4.28Å
937F97Very high93.7Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-111.3142.4176.8-58.7-78.8000111.1L873 H887 F889 L914 F915 V917 H935 L946 D947 T948L873-F937 HydrophobicContact CD2-CD2 3.72Å; L873-F937 HydrophobicContact CD2-CE2 3.91Å; L873-F937 HydrophobicContact CD2-CG 4.35Å; H887-F937 AromaticContact CD2-CZ 3.68Å; H887-F937 AromaticContact CE1-CE1 3.91Å; H887-F937 AromaticContact NE2-CE1 3.86Å; H887-F937 AromaticContact NE2-CZ 3.59Å; F889-F937 HydrophobicContact CE1-CE2 4.43Å; F889-F937 HydrophobicContact CE1-CZ 4.34Å; F889-F937 HydrophobicContact CZ-CE2 4.34Å; L914-F937 CarbonylContact C-O 3.56Å; L914-F937 WeakPolarHBondContact CA-O 3.4Å; F915-F937 HydrophobicContact CB-CB 4.38Å; F915-F937 PolarHBondContact N-O 2.86Å; F915-F937 PolarHBondContact O-N 2.93Å; V917-F937 HydrophobicContact CB-CE2 4.28Å; V917-F937 HydrophobicContact CG2-CD2 4.32Å; V917-F937 HydrophobicContact CG2-CE2 4.21Å; H935-F937 HydrophobicContact CB-CD2 4.13Å; H935-F937 HydrophobicContact CB-CE2 3.42Å; H935-F937 VanDerWaalsContact CB-CE2 3.42Å; H935-F937 HydrophobicContact CB-CZ 3.67Å; F937-L946 HydrophobicContact CB-CD1 3.75Å; F937-L946 HydrophobicContact CB-CD2 4.34Å; F937-L946 HydrophobicContact CB-CG 3.98Å; F937-L946 HydrophobicContact CD1-CD2 3.93Å; F937-L946 HydrophobicContact CD1-CG 4.05Å; F937-L946 HydrophobicContact CE1-CD2 4.43Å; F937-L946 HydrophobicContact CG-CD1 4.42Å; F937-L946 HydrophobicContact CG-CD2 4.13Å; F937-L946 HydrophobicContact CG-CG 4.23Å; F937-D947 CarbonylContact C-O 3.49Å; F937-D947 WeakPolarHBondContact CA-O 3.3Å; F937-T948 HydrophobicContact CD1-CG2 4.33Å; F937-T948 HydrophobicContact CE1-CG2 4.05Å
938R96.2Very high94.1Very high98 Ų9845.1 Ų45.137%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-106.2123.5168.2-166177.8-54163.711.3108.6L914 L946 D947 V949L914-R938 HydrophobicContact CD2-CB 3.73Å; L914-R938 HydrophobicContact CD2-CG 4Å; R938-L946 WeakPolarHBondContact O-CA 3.1Å; R938-D947 HydrophobicContact CB-CB 4.46Å; R938-D947 PolarHBondContact N-O 2.74Å; R938-D947 PolarHBondContact O-N 2.95Å; R938-V949 HydrophobicContact CB-CG2 3.77Å
939W96.1Very high94.4Very high8 Ų843.2 Ų43.23%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-93.7126.9172.8177.4-122000109.7I875 Q884 F885 F915 S944 R945 L946I875-W939 HydrophobicContact CB-CD2 4.5Å; I875-W939 HydrophobicContact CG1-CD2 4.49Å; I875-W939 HydrophobicContact CG1-CE3 4.27Å; I875-W939 HydrophobicContact CG2-CD2 3.77Å; I875-W939 HydrophobicContact CG2-CE3 4.27Å; I875-W939 HydrophobicContact CG2-CG 4.07Å; I875-W939 HydrophobicContact CG2-CH2 4.48Å; I875-W939 HydrophobicContact CG2-CZ2 4.01Å; Q884-W939 HydrophobicContact CB-CH2 3.81Å; Q884-W939 HydrophobicContact CB-CZ2 3.7Å; Q884-W939 HydrophobicContact CG-CZ2 4.42Å; F885-W939 HydrophobicContact CB-CH2 3.81Å; F885-W939 HydrophobicContact CB-CZ3 3.57Å; F885-W939 HydrophobicContact CD2-CH2 4.47Å; F885-W939 AromaticContact CD2-CZ3 3.87Å; F885-W939 HydrophobicContact CD2-CZ3 3.87Å; F885-W939 AromaticContact CG-CZ3 3.89Å; F885-W939 HydrophobicContact CG-CZ3 3.89Å; F915-W939 HydrophobicContact CD2-CB 4.26Å; F915-W939 HydrophobicContact CE2-CB 4.09Å; W939-S944 VanDerWaalsContact CH2-C 3.44Å; W939-S944 VanDerWaalsContact CH2-CA 3.46Å; W939-S944 VanDerWaalsContact CZ3-C 3.46Å; W939-R945 VanDerWaalsContact CE3-O 3.3Å; W939-L946 HydrophobicContact CB-CD1 4.15Å; W939-L946 HydrophobicContact CE3-CB 4.12Å; W939-L946 HydrophobicContact CE3-CD1 4.03Å; W939-L946 HydrophobicContact CZ3-CB 4.37Å
940D94.3Very high94.5Very high51 Ų5143.2 Ų43.227%0.27322%0.223SC..EExtended strand (participates in β ladder)trans-109.9105.5169174.35.1000108.7E942 S943 S944 R945D940-E942 VanDerWaalsContact C-N 3.31Å; D940-E942 PolarHBondContact O-N 3.32Å; D940-E942 PolarHBondContact OD1-N 3.48Å; D940-S943 VanDerWaalsContact CG-OG 3.22Å; D940-S943 PolarHBondContact OD1-N 3.04Å; D940-S943 VanDerWaalsContact OD2-CB 3.29Å; D940-S943 WeakPolarHBondContact OD2-CB 3.31Å; D940-S943 PolarHBondContact OD2-OG 2.76Å; D940-S944 WeakPolarHBondContact O-CA 3.35Å; D940-S944 PolarHBondContact O-N 3.39Å; D940-R945 PolarHBondContact N-O 3.23Å; D940-R945 PolarHBondContact O-N 2.96Å; D940-R945 VanDerWaalsContact O-N 3.14Å
941P88.7Confident94.6Very high52 Ų5244.1 Ų44.134%0.33823%0.227SC..THydrogen-bonded Turntrans-70.1-24.8-17928.4-33.9000113.2
942E89.1Confident94.6Very high187 Ų18744.3 Ų44.387%0.87423%0.229SC*.THydrogen-bonded Turntrans-74.1-44.1-179.4-65.5-172.3177.300111.3D940D940-E942 VanDerWaalsContact C-N 3.31Å; D940-E942 PolarHBondContact O-N 3.32Å; D940-E942 PolarHBondContact OD1-N 3.48Å
943S90.9Very high94.6Very high57 Ų5746.6 Ų46.640%0.39924%0.241SC..THydrogen-bonded Turntrans-89.7-1.2175.8750000114.4D940 R945D940-S943 VanDerWaalsContact CG-OG 3.22Å; D940-S943 PolarHBondContact OD1-N 3.04Å; D940-S943 VanDerWaalsContact OD2-CB 3.29Å; D940-S943 WeakPolarHBondContact OD2-CB 3.31Å; D940-S943 PolarHBondContact OD2-OG 2.76Å; S943-R945 PolarHBondContact O-N 2.75Å; S943-R945 WeakPolarHBondContact OG-CB 3.47Å; S943-R945 PolarHBondContact OG-NH1 2.89Å
944S90.3Very high94.5Very high45 Ų4546.4 Ų46.432%0.31524%0.241SC..THydrogen-bonded Turntrans48.942.6-173.4-65.60000112.6F885 W939 D940F885-S944 WeakPolarHBondContact CD2-O 3.38Å; W939-S944 VanDerWaalsContact CH2-C 3.44Å; W939-S944 VanDerWaalsContact CH2-CA 3.46Å; W939-S944 VanDerWaalsContact CZ3-C 3.46Å; D940-S944 WeakPolarHBondContact O-CA 3.35Å; D940-S944 PolarHBondContact O-N 3.39Å
945R93.6Very high94.4Very high118 Ų11851.1 Ų51.145%0.44527%0.266SS..EExtended strand (participates in β ladder)trans-118.9134.6-174.3-162.8175.277.3-115.3-1.9111.6W939 D940 S943 D947W939-R945 VanDerWaalsContact CE3-O 3.3Å; D940-R945 PolarHBondContact N-O 3.23Å; D940-R945 PolarHBondContact O-N 2.96Å; D940-R945 VanDerWaalsContact O-N 3.14Å; S943-R945 PolarHBondContact O-N 2.75Å; S943-R945 WeakPolarHBondContact OG-CB 3.47Å; S943-R945 PolarHBondContact OG-NH1 2.89Å; R945-D947 IonicContact CZ-OD1 3.9Å; R945-D947 IonicContact CZ-OD2 3.36Å; R945-D947 IonicContact NE-OD1 3.11Å; R945-D947 PolarHBondContact NE-OD1 2.65Å; R945-D947 IonicContact NE-OD2 3.69Å; R945-D947 PolarHBondContact NE-OD2 3.31Å; R945-D947 IonicContact NH2-OD1 3.92Å; R945-D947 IonicContact NH2-OD2 2.78Å; R945-D947 PolarHBondContact NH2-OD2 3.24Å
946L96.1Very high94.3Very high9 Ų951 Ų515%0.04727%0.265CS..EExtended strand (participates in β ladder)trans-104.6105172.6-167.374.7000110L873 I875 F885 H887 F937 R938 W939L873-L946 HydrophobicContact CD2-CD2 4.03Å; I875-L946 HydrophobicContact CD1-CD1 4.24Å; I875-L946 HydrophobicContact CG1-CD1 4.2Å; F885-L946 HydrophobicContact CD1-CB 3.73Å; F885-L946 HydrophobicContact CD1-CD2 3.96Å; F885-L946 HydrophobicContact CD1-CG 4.48Å; F885-L946 HydrophobicContact CD2-CB 4.21Å; F885-L946 HydrophobicContact CE1-CB 3.63Å; F885-L946 HydrophobicContact CE1-CD2 3.98Å; F885-L946 HydrophobicContact CE1-CG 4.47Å; F885-L946 HydrophobicContact CE2-CB 4.11Å; F885-L946 HydrophobicContact CG-CB 4.06Å; F885-L946 HydrophobicContact CZ-CB 3.84Å; H887-L946 HydrophobicContact CB-CD2 3.93Å; F937-L946 HydrophobicContact CB-CD1 3.75Å; F937-L946 HydrophobicContact CB-CD2 4.34Å; F937-L946 HydrophobicContact CB-CG 3.98Å; F937-L946 HydrophobicContact CD1-CD2 3.93Å; F937-L946 HydrophobicContact CD1-CG 4.05Å; F937-L946 HydrophobicContact CE1-CD2 4.43Å; F937-L946 HydrophobicContact CG-CD1 4.42Å; F937-L946 HydrophobicContact CG-CD2 4.13Å; F937-L946 HydrophobicContact CG-CG 4.23Å; R938-L946 WeakPolarHBondContact O-CA 3.1Å; W939-L946 HydrophobicContact CB-CD1 4.15Å; W939-L946 HydrophobicContact CE3-CB 4.12Å; W939-L946 HydrophobicContact CE3-CD1 4.03Å; W939-L946 HydrophobicContact CZ3-CB 4.37Å
947D94.9Very high94.3Very high59 Ų5951.1 Ų51.132%0.31627%0.266SS..EExtended strand (participates in β ladder)trans-90127.6178.2-73.8-26.3000111F937 R938 R945 V949F937-D947 CarbonylContact C-O 3.49Å; F937-D947 WeakPolarHBondContact CA-O 3.3Å; R938-D947 HydrophobicContact CB-CB 4.46Å; R938-D947 PolarHBondContact N-O 2.74Å; R938-D947 PolarHBondContact O-N 2.95Å; R945-D947 IonicContact CZ-OD1 3.9Å; R945-D947 IonicContact CZ-OD2 3.36Å; R945-D947 IonicContact NE-OD1 3.11Å; R945-D947 PolarHBondContact NE-OD1 2.65Å; R945-D947 IonicContact NE-OD2 3.69Å; R945-D947 PolarHBondContact NE-OD2 3.31Å; R945-D947 IonicContact NH2-OD1 3.92Å; R945-D947 IonicContact NH2-OD2 2.78Å; R945-D947 PolarHBondContact NH2-OD2 3.24Å; D947-V949 PolarHBondContact O-N 2.73Å
948T95.1Very high94.3Very high74 Ų7451.1 Ų51.145%0.45427%0.266SS..EExtended strand (participates in β ladder)trans-78106.2171-46.30000109.5F937 V951F937-T948 HydrophobicContact CD1-CG2 4.33Å; F937-T948 HydrophobicContact CE1-CG2 4.05Å; T948-V951 HydrophobicContact CG2-CG2 3.59Å
949V94.8Very high94.4Very high37 Ų3748.6 Ų48.622%0.22426%0.257CS..EExtended strand (participates in β ladder)trans-78-46.5179.6-178.20000110.6L914 L936 R938 D947L914-V949 HydrophobicContact CD2-CG2 3.95Å; L936-V949 HydrophobicContact CB-CB 4.36Å; L936-V949 WeakPolarHBondContact O-CB 3.34Å; L936-V949 PolarHBondContact O-N 3.05Å; R938-V949 HydrophobicContact CB-CG2 3.77Å; D947-V949 PolarHBondContact O-N 2.73Å
950L94.4Very high94.5Very high17 Ų1749.6 Ų49.69%0.08926%0.261CS..EExtended strand (participates in β ladder)trans-149.4146.9-176.5-178.559.8000111.4H935 L936 D984 L986H935-L950 CarbonylContact C-O 3.56Å; H935-L950 WeakPolarHBondContact CA-O 3.14Å; L936-L950 HydrophobicContact CB-CB 4.15Å; L936-L950 HydrophobicContact CD1-CB 4.14Å; L936-L950 HydrophobicContact CD1-CD2 4.11Å; L936-L950 HydrophobicContact CG-CB 4.23Å; L936-L950 PolarHBondContact N-O 2.67Å; L936-L950 PolarHBondContact O-N 3.34Å; L950-D984 VanDerWaalsContact CD1-O 3.29Å; L950-D984 WeakPolarHBondContact CD1-O 3.47Å; L950-L986 HydrophobicContact CD2-CD2 4.05Å; L950-L986 HydrophobicContact CD2-CG 3.83Å
951V95.6Very high94.6Very high58 Ų5847.3 Ų47.335%0.35225%0.248SC..EExtended strand (participates in β ladder)trans-131.5121.1166.7-175.10000108R933 I934 T948R933-V951 HydrophobicContact CB-CG1 4.3Å; I934-V951 WeakPolarHBondContact O-CA 3.44Å; T948-V951 HydrophobicContact CG2-CG2 3.59Å
952H95.1Very high95Very high48 Ų4846 Ų4622%0.22224%0.239CC..EExtended strand (participates in β ladder)trans-122.3116.6-175.6-172.380.2000110.9R933 I934 F979 L986R933-H952 CarbonylContact C-O 3.58Å; R933-H952 VanDerWaalsContact CA-O 3.32Å; R933-H952 WeakPolarHBondContact CA-O 3.35Å; I934-H952 PolarHBondContact N-O 3.24Å; I934-H952 PolarHBondContact O-N 2.92Å; H952-F979 AromaticContact NE2-CE1 3.96Å; H952-L986 HydrophobicContact CB-CB 4.42Å; H952-L986 HydrophobicContact CB-CD1 4.06Å; H952-L986 HydrophobicContact CB-CG 4.21Å; H952-L986 PolarHBondContact CE1-O 2.94Å
953D95.1Very high95.3Very high48 Ų4838.4 Ų38.426%0.25721%0.205SC..EExtended strand (participates in β ladder)trans-73.3136.7179.3-64.6-10.2000110.9T853 R933T853-D953 PolarHBondContact OG1-OD2 3.06Å; R933-D953 WeakPolarHBondContact CD-OD1 3.03Å; R933-D953 WeakPolarHBondContact CG-OD1 3.47Å
954V95.6Very high95.5Very high6 Ų635.8 Ų35.84%0.03619%0.186CC..EExtended strand (participates in β ladder)trans-129.8159.8179.1-63.20000112.3K931 G932 I934 V958 I972K931-V954 WeakPolarHBondContact CA-O 3.4Å; K931-V954 WeakPolarHBondContact CD-O 3.38Å; G932-V954 PolarHBondContact N-O 2.93Å; G932-V954 WeakPolarHBondContact O-CG2 3.29Å; G932-V954 PolarHBondContact O-N 2.75Å; I934-V954 HydrophobicContact CD1-CG1 4.19Å; I934-V954 HydrophobicContact CG1-CG1 4.34Å; V954-V958 HydrophobicContact CG2-CG2 3.62Å; V954-I972 HydrophobicContact CB-CD1 4.17Å; V954-I972 HydrophobicContact CG1-CD1 4.04Å; V954-I972 HydrophobicContact CG2-CD1 4.33Å; V954-I972 HydrophobicContact CG2-CG2 4.47Å
955N94.6Very high95.4Very high99 Ų9937.8 Ų37.853%0.52919%0.193SC..SBendtrans-95.897.3175.2-59.3-20000108.8S930 K931 I972S930-N955 CarbonylContact O-C 3.45Å; S930-N955 WeakPolarHBondContact O-CA 3.24Å; K931-N955 PolarHBondContact NZ-OD1 3.18Å; N955-I972 WeakPolarHBondContact O-CG2 3.25Å
956G95.2Very high95.2Very high0 Ų033 Ų330%018%0.18CC..SBendtrans125.7164.7-17700000114P929 S930 K931 G932 N973P929-G956 WeakPolarHBondContact O-CA 3.44Å; S930-G956 PolarHBondContact O-N 2.94Å; K931-G956 CarbonylContact C-O 3.54Å; G932-G956 WeakPolarHBondContact CA-O 3.35Å; G932-G956 PolarHBondContact N-O 2.91Å; G956-N973 VanDerWaalsContact CA-OD1 3.29Å; G956-N973 WeakPolarHBondContact CA-OD1 3.27Å
957S96.9Very high95Very high3 Ų335.5 Ų35.52%0.02119%0.189CC..  trans-70.1136.2166.3175.40000111.3Y959 I972 N973S957-Y959 PolarHBondContact O-N 2.84Å; S957-Y959 WeakPolarHBondContact OG-CE1 3.29Å; S957-I972 VanDerWaalsContact O-CA 3.31Å; S957-I972 WeakPolarHBondContact O-CA 3.35Å; S957-N973 PolarHBondContact N-OD1 2.86Å; S957-N973 PolarHBondContact O-N 2.77Å; S957-N973 PolarHBondContact O-OD1 3.48Å
958V98.2Very high95.1Very high0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-93.380.4178.8-169.60000110.9S901 I934 V954 R960 I961 A970 A971 I972S901-V958 PolarHBondContact OG-O 3.08Å; I934-V958 HydrophobicContact CG1-CG1 4.35Å; I934-V958 HydrophobicContact CG1-CG2 4.04Å; V954-V958 HydrophobicContact CG2-CG2 3.62Å; V958-R960 VanDerWaalsContact C-N 3.34Å; V958-R960 PolarHBondContact O-N 3.42Å; V958-I961 HydrophobicContact CG1-CD1 3.99Å; V958-I961 HydrophobicContact CG1-CG1 3.65Å; V958-A970 HydrophobicContact CG1-CB 4.3Å; V958-A971 CarbonylContact C-O 3.53Å; V958-A971 WeakPolarHBondContact CA-O 3.17Å; V958-I972 HydrophobicContact CG1-CG1 4.46Å; V958-I972 HydrophobicContact CG2-CG1 4.29Å
959Y97.8Very high95.2Very high44 Ų4429.2 Ų29.217%0.17315%0.153CC..EExtended strand (participates in β ladder)trans-64.9-28.5-173.1-68.1-68.8000115.1R804 V900 S957 A971 I997 V998 L999R804-Y959 PolarHBondContact NH1-O 2.9Å; V900-Y959 HydrophobicContact CG1-CD1 4.12Å; S957-Y959 PolarHBondContact O-N 2.84Å; S957-Y959 WeakPolarHBondContact OG-CE1 3.29Å; Y959-A971 PolarHBondContact N-O 3.14Å; Y959-I997 HydrophobicContact CD2-CG2 3.95Å; Y959-I997 HydrophobicContact CE2-CG2 3.57Å; Y959-V998 VanDerWaalsContact CB-O 3.31Å; Y959-V998 WeakPolarHBondContact CB-O 3.43Å; Y959-L999 HydrophobicContact CD1-CD2 3.67Å; Y959-L999 HydrophobicContact CD2-CD2 4.36Å; Y959-L999 HydrophobicContact CE1-CD2 3.97Å; Y959-L999 HydrophobicContact CG-CD2 3.88Å
960R97.7Very high95.4Very high30 Ų3027.4 Ų27.411%0.11314%0.142CC..EExtended strand (participates in β ladder)trans-152.4140.1175.6-161.567.2167.1173.4-4.2110.6V958 V962 A970 A971 L1001 R1002V958-R960 VanDerWaalsContact C-N 3.34Å; V958-R960 PolarHBondContact O-N 3.42Å; R960-V962 HydrophobicContact CG-CG2 4.1Å; R960-A970 CarbonylContact O-C 3.54Å; R960-A970 WeakPolarHBondContact O-CA 3.15Å; R960-A971 HydrophobicContact CB-CB 4.09Å; R960-A971 PolarHBondContact O-N 2.97Å; R960-L1001 HydrophobicContact CB-CB 4.41Å; R960-L1001 HydrophobicContact CG-CB 4.08Å; R960-R1002 VanDerWaalsContact NH2-NH1 3.13Å
961I97.7Very high95.6Very high3 Ų326.6 Ų26.62%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-117.6144165-63.1177.4000107.8A903 V905 A916 I934 V958 L968 L969 A970A903-I961 HydrophobicContact CB-CB 4.41Å; A903-I961 HydrophobicContact CB-CG2 4.12Å; V905-I961 HydrophobicContact CG2-CG2 4.37Å; A916-I961 HydrophobicContact CB-CD1 4.26Å; A916-I961 HydrophobicContact CB-CG2 3.97Å; I934-I961 HydrophobicContact CG1-CD1 4.48Å; I934-I961 HydrophobicContact CG2-CD1 4.02Å; V958-I961 HydrophobicContact CG1-CD1 3.99Å; V958-I961 HydrophobicContact CG1-CG1 3.65Å; I961-L968 HydrophobicContact CG2-CD1 4.16Å; I961-L968 HydrophobicContact CG2-CD2 4Å; I961-L968 HydrophobicContact CG2-CG 3.83Å; I961-L969 CarbonylContact C-O 3.54Å; I961-L969 WeakPolarHBondContact CA-O 3.18Å; I961-A970 HydrophobicContact CG1-CB 4.46Å
962V96.5Very high95.7Very high24 Ų2423.9 Ų23.915%0.14512%0.121CC..EExtended strand (participates in β ladder)trans-141.6139.6175.5-168.70000109R960 L969 L1001 R1003R960-V962 HydrophobicContact CG-CG2 4.1Å; V962-L969 PolarHBondContact N-O 3.18Å; V962-L969 WeakPolarHBondContact O-CB 3.39Å; V962-L969 PolarHBondContact O-N 2.86Å; V962-L1001 HydrophobicContact CG2-CB 3.73Å; V962-R1003 HydrophobicContact CG1-CB 4.49Å; V962-R1003 HydrophobicContact CG1-CG 3.65Å
963D95.1Very high95.8Very high27 Ų2722.6 Ų22.614%0.14412%0.116CC..EExtended strand (participates in β ladder)trans-63.6131.9166.8171.383.6000111V905 Q906 R1003V905-D963 HydrophobicContact CG1-CB 4.46Å; V905-D963 HydrophobicContact CG2-CB 4.38Å; Q906-D963 PolarHBondContact N-OD1 3.22Å; D963-R1003 WeakPolarHBondContact O-CG 3.47Å; D963-R1003 PolarHBondContact O-NE 3.05Å; D963-R1003 IonicContact OD2-CZ 2.72Å; D963-R1003 IonicContact OD2-NE 3.81Å; D963-R1003 IonicContact OD2-NH2 3.33Å; D963-R1003 PolarHBondContact OD2-NH2 3Å
964F94.7Very high95.8Very high2 Ų222.7 Ų22.71%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-136.483.3178.6-166.6-93.8000110.8G966 R967 L969 L978 R1003 V1008 F1022F964-G966 PolarHBondContact O-N 3.26Å; F964-R967 PolarHBondContact N-O 2.84Å; F964-R967 VanDerWaalsContact O-CB 3.28Å; F964-R967 WeakPolarHBondContact O-CB 3.42Å; F964-R967 PolarHBondContact O-N 3.41Å; F964-L969 HydrophobicContact CB-CB 3.82Å; F964-L969 HydrophobicContact CD2-CD2 4.14Å; F964-L969 HydrophobicContact CG-CB 4.45Å; F964-L978 HydrophobicContact CB-CD1 4.05Å; F964-L978 HydrophobicContact CD1-CD1 3.63Å; F964-L978 HydrophobicContact CD1-CD2 4.27Å; F964-L978 HydrophobicContact CE1-CD1 4.47Å; F964-L978 HydrophobicContact CE1-CD2 4.39Å; F964-L978 HydrophobicContact CG-CD1 4.09Å; F964-R1003 HydrophobicContact CD2-CB 4.02Å; F964-R1003 HydrophobicContact CD2-CG 4.31Å; F964-R1003 HydrophobicContact CE2-CB 4.32Å; F964-V1008 HydrophobicContact CD2-CG2 4.05Å; F964-V1008 HydrophobicContact CE2-CG2 3.54Å; F964-V1008 HydrophobicContact CZ-CG2 4.28Å; F964-F1022 HydrophobicContact CE1-CB 3.99Å; F964-F1022 AromaticContact CE1-CD1 3.81Å; F964-F1022 HydrophobicContact CE1-CD1 3.81Å; F964-F1022 HydrophobicContact CE1-CE1 4.43Å; F964-F1022 AromaticContact CE1-CG 3.85Å; F964-F1022 HydrophobicContact CE1-CG 3.85Å; F964-F1022 HydrophobicContact CZ-CB 3.64Å; F964-F1022 HydrophobicContact CZ-CD1 4.24Å; F964-F1022 HydrophobicContact CZ-CG 4.04Å
965N89.4Confident95.9Very high87 Ų8722.6 Ų22.647%0.46512%0.12SC..THydrogen-bonded Turntrans55.353.3172-55.9-24.7000112.8R967N965-R967 PolarHBondContact O-N 2.85Å
966G88.1Confident96Very high17 Ų1717.9 Ų17.918%0.17510%0.095CC..THydrogen-bonded Turntrans775.8-177.800000114.6F964F964-G966 PolarHBondContact O-N 3.26Å
967R93.4Very high96.1Very high63 Ų6320.4 Ų20.424%0.23810%0.104CC..EExtended strand (participates in β ladder)trans-120.7163.5176.5-51.3-178.6-168.2-157.420.7110.2F964 N965 L978 F979 D980 N1027F964-R967 PolarHBondContact N-O 2.84Å; F964-R967 VanDerWaalsContact O-CB 3.28Å; F964-R967 WeakPolarHBondContact O-CB 3.42Å; F964-R967 PolarHBondContact O-N 3.41Å; N965-R967 PolarHBondContact O-N 2.85Å; R967-L978 HydrophobicContact CB-CD1 3.88Å; R967-L978 HydrophobicContact CB-CG 4.49Å; R967-F979 WeakPolarHBondContact CB-O 3.49Å; R967-D980 VanDerWaalsContact CD-OD1 3.32Å; R967-D980 WeakPolarHBondContact CD-OD1 3.32Å; R967-D980 IonicContact CZ-OD1 3.78Å; R967-D980 IonicContact NE-OD1 2.84Å; R967-D980 IonicContact NH1-OD1 3.33Å; R967-D980 PolarHBondContact NH1-OD1 2.9Å; R967-N1027 PolarHBondContact NH1-OD1 3.13Å
968L95.8Very high96.2Very high0 Ų020.2 Ų20.20%010%0.103CC..EExtended strand (participates in β ladder)trans-103.3117.1-178.8-171.5154.5000110.2A916 I934 L936 I961 A970 F979 L986A916-L968 HydrophobicContact CB-CD1 3.87Å; I934-L968 HydrophobicContact CD1-CD2 4.05Å; I934-L968 HydrophobicContact CG2-CD1 3.89Å; L936-L968 HydrophobicContact CD2-CD1 3.82Å; I961-L968 HydrophobicContact CG2-CD1 4.16Å; I961-L968 HydrophobicContact CG2-CD2 4Å; I961-L968 HydrophobicContact CG2-CG 3.83Å; L968-A970 HydrophobicContact CD2-CB 3.91Å; L968-F979 HydrophobicContact CB-CB 4.42Å; L968-F979 HydrophobicContact CD2-CD2 4.16Å; L968-F979 PolarHBondContact N-O 3.21Å; L968-F979 PolarHBondContact O-N 3.39Å; L968-L986 HydrophobicContact CD1-CD1 4.37Å
969L97.8Very high96.1Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-98.4127173.2-178.267.4000109.5I961 V962 F964 V976 L978 L1001 V1008 F1029I961-L969 CarbonylContact C-O 3.54Å; I961-L969 WeakPolarHBondContact CA-O 3.18Å; V962-L969 PolarHBondContact N-O 3.18Å; V962-L969 WeakPolarHBondContact O-CB 3.39Å; V962-L969 PolarHBondContact O-N 2.86Å; F964-L969 HydrophobicContact CB-CB 3.82Å; F964-L969 HydrophobicContact CD2-CD2 4.14Å; F964-L969 HydrophobicContact CG-CB 4.45Å; L969-V976 HydrophobicContact CD1-CG1 3.72Å; L969-V976 HydrophobicContact CG-CG1 4.47Å; L969-L978 HydrophobicContact CB-CD1 4.24Å; L969-L978 HydrophobicContact CD1-CB 4.37Å; L969-L978 HydrophobicContact CD1-CD1 4.26Å; L969-L1001 HydrophobicContact CD2-CD1 4.41Å; L969-L1001 HydrophobicContact CG-CD1 4.14Å; L969-V1008 HydrophobicContact CD2-CB 4.41Å; L969-V1008 HydrophobicContact CD2-CG1 3.79Å; L969-V1008 HydrophobicContact CD2-CG2 3.66Å; L969-F1029 HydrophobicContact CD1-CE2 4.09Å; L969-F1029 HydrophobicContact CD1-CZ 3.62Å
970A98.3Very high96Very high0 Ų019.9 Ų19.90%010%0.104CC..EExtended strand (participates in β ladder)trans-130.8140.4-17700000112.7I934 V958 R960 I961 L968 I972 R977 F979I934-A970 HydrophobicContact CD1-CB 4.29Å; V958-A970 HydrophobicContact CG1-CB 4.3Å; R960-A970 CarbonylContact O-C 3.54Å; R960-A970 WeakPolarHBondContact O-CA 3.15Å; I961-A970 HydrophobicContact CG1-CB 4.46Å; L968-A970 HydrophobicContact CD2-CB 3.91Å; A970-I972 HydrophobicContact CB-CD1 4.16Å; A970-I972 HydrophobicContact CB-CG1 4.06Å; A970-R977 PolarHBondContact N-O 2.94Å; A970-R977 PolarHBondContact O-N 3.2Å; A970-F979 HydrophobicContact CB-CE2 4.25Å
971A98.2Very high95.8Very high0 Ų018.8 Ų18.80%010%0.1CC..EExtended strand (participates in β ladder)trans-92.2120.6163.600000108.9V958 Y959 R960 V998 L1001V958-A971 CarbonylContact C-O 3.53Å; V958-A971 WeakPolarHBondContact CA-O 3.17Å; Y959-A971 PolarHBondContact N-O 3.14Å; R960-A971 HydrophobicContact CB-CB 4.09Å; R960-A971 PolarHBondContact O-N 2.97Å; A971-V998 HydrophobicContact CB-CB 3.87Å; A971-V998 HydrophobicContact CB-CG1 3.53Å; A971-V998 WeakPolarHBondContact CB-O 3.33Å; A971-L1001 HydrophobicContact CB-CD1 3.68Å; A971-L1001 HydrophobicContact CB-CG 4.05Å
972I98Very high95.5Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-132.9103.3-177-53.4177.6000108.4V954 N955 S957 V958 A970 S974 S975 F979V954-I972 HydrophobicContact CB-CD1 4.17Å; V954-I972 HydrophobicContact CG1-CD1 4.04Å; V954-I972 HydrophobicContact CG2-CD1 4.33Å; V954-I972 HydrophobicContact CG2-CG2 4.47Å; N955-I972 WeakPolarHBondContact O-CG2 3.25Å; S957-I972 VanDerWaalsContact O-CA 3.31Å; S957-I972 WeakPolarHBondContact O-CA 3.35Å; V958-I972 HydrophobicContact CG1-CG1 4.46Å; V958-I972 HydrophobicContact CG2-CG1 4.29Å; A970-I972 HydrophobicContact CB-CD1 4.16Å; A970-I972 HydrophobicContact CB-CG1 4.06Å; I972-S974 PolarHBondContact O-N 2.95Å; I972-S975 PolarHBondContact N-O 3.17Å; I972-S975 WeakPolarHBondContact O-CA 3.48Å; I972-S975 PolarHBondContact O-N 2.79Å; I972-S975 PolarHBondContact O-OG 2.8Å; I972-F979 HydrophobicContact CD1-CE2 4Å; I972-F979 HydrophobicContact CD1-CZ 4.14Å
973N96.7Very high95Very high22 Ų2228 Ų2812%0.11814%0.14CC..THydrogen-bonded Turntrans43.7-118.7-167.4-60.214.3000111.8E928 P929 G956 S957 S975 V998E928-N973 VanDerWaalsContact CD-ND2 3.28Å; E928-N973 VanDerWaalsContact OE1-CB 3.31Å; E928-N973 WeakPolarHBondContact OE1-CB 3.44Å; E928-N973 PolarHBondContact OE1-ND2 2.83Å; P929-N973 PolarHBondContact O-ND2 2.85Å; G956-N973 VanDerWaalsContact CA-OD1 3.29Å; G956-N973 WeakPolarHBondContact CA-OD1 3.27Å; S957-N973 PolarHBondContact N-OD1 2.86Å; S957-N973 PolarHBondContact O-N 2.77Å; S957-N973 PolarHBondContact O-OD1 3.48Å; N973-S975 VanDerWaalsContact C-N 3.26Å; N973-S975 PolarHBondContact O-N 3.09Å; N973-V998 PolarHBondContact O-N 2.77Å
974S96.1Very high94.7Very high49 Ų4933.5 Ų33.534%0.34317%0.17SC..THydrogen-bonded Turntrans-74-8178.156.30000115.2I972 N995 I996I972-S974 PolarHBondContact O-N 2.95Å; S974-N995 WeakPolarHBondContact CB-O 3.24Å; S974-N995 WeakPolarHBondContact O-CB 3.45Å; S974-N995 PolarHBondContact O-ND2 3.23Å; S974-I996 WeakPolarHBondContact CA-O 3.42Å; S974-I996 WeakPolarHBondContact CB-O 3.19Å
975S97Very high94.5Very high4 Ų436 Ų363%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-110.8129.6-167.963.30000114I972 N973 R977 F992 N993I972-S975 PolarHBondContact N-O 3.17Å; I972-S975 WeakPolarHBondContact O-CA 3.48Å; I972-S975 PolarHBondContact O-N 2.79Å; I972-S975 PolarHBondContact O-OG 2.8Å; N973-S975 VanDerWaalsContact C-N 3.26Å; N973-S975 PolarHBondContact O-N 3.09Å; S975-R977 PolarHBondContact OG-NE 3.46Å; S975-R977 PolarHBondContact OG-NH2 3.36Å; S975-F992 WeakPolarHBondContact CA-O 3.38Å; S975-N993 WeakPolarHBondContact CB-OD1 3.27Å
976V97.9Very high94.8Very high0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-89.2123.5162.9-175.70000107.5L969 S991 F992 V998 L1001 V1010 L1020 F1029L969-V976 HydrophobicContact CD1-CG1 3.72Å; L969-V976 HydrophobicContact CG-CG1 4.47Å; V976-S991 CarbonylContact O-C 3.57Å; V976-S991 WeakPolarHBondContact O-CA 3.37Å; V976-F992 HydrophobicContact CB-CB 4.41Å; V976-F992 PolarHBondContact N-O 2.77Å; V976-F992 PolarHBondContact O-N 2.87Å; V976-V998 HydrophobicContact CG2-CG1 4.18Å; V976-V998 HydrophobicContact CG2-CG2 3.94Å; V976-L1001 HydrophobicContact CG1-CD1 4.36Å; V976-L1001 HydrophobicContact CG1-CD2 4.12Å; V976-L1001 HydrophobicContact CG2-CD2 4.07Å; V976-V1010 HydrophobicContact CG2-CG1 3.92Å; V976-V1010 HydrophobicContact CG2-CG2 3.97Å; V976-L1020 HydrophobicContact CG1-CD1 4.47Å; V976-F1029 HydrophobicContact CG1-CE2 4.43Å
977R97.8Very high95.1Very high53 Ų5339.2 Ų39.220%0.219%0.188CC..EExtended strand (participates in β ladder)trans-127.5132.3-176.5-59.3-164.7-160.216810.4111.1A970 S975 F979 L988A970-R977 PolarHBondContact N-O 2.94Å; A970-R977 PolarHBondContact O-N 3.2Å; S975-R977 PolarHBondContact OG-NE 3.46Å; S975-R977 PolarHBondContact OG-NH2 3.36Å; R977-F979 HydrophobicContact CB-CD2 4.27Å; R977-F979 HydrophobicContact CB-CE2 3.61Å; R977-F979 HydrophobicContact CB-CZ 4.09Å; R977-L988 HydrophobicContact CB-CD1 3.74Å; R977-L988 HydrophobicContact CG-CD1 4.11Å
978L97.5Very high95.3Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-100.6129.1171.4-175.366.9000109.1F964 R967 L969 A989 C990 F1022 F1029F964-L978 HydrophobicContact CB-CD1 4.05Å; F964-L978 HydrophobicContact CD1-CD1 3.63Å; F964-L978 HydrophobicContact CD1-CD2 4.27Å; F964-L978 HydrophobicContact CE1-CD1 4.47Å; F964-L978 HydrophobicContact CE1-CD2 4.39Å; F964-L978 HydrophobicContact CG-CD1 4.09Å; R967-L978 HydrophobicContact CB-CD1 3.88Å; R967-L978 HydrophobicContact CB-CG 4.49Å; L969-L978 HydrophobicContact CB-CD1 4.24Å; L969-L978 HydrophobicContact CD1-CB 4.37Å; L969-L978 HydrophobicContact CD1-CD1 4.26Å; L978-A989 HydrophobicContact CB-CB 4.44Å; L978-A989 HydrophobicContact CD2-CB 4.41Å; L978-A989 HydrophobicContact CG-CB 4.31Å; L978-A989 WeakPolarHBondContact O-CB 3.44Å; L978-A989 PolarHBondContact O-N 2.87Å; L978-C990 PolarHBondContact N-O 3.47Å; L978-C990 PolarHBondContact O-N 3.04Å; L978-F1022 HydrophobicContact CD2-CD2 3.96Å; L978-F1022 HydrophobicContact CD2-CE1 4.42Å; L978-F1022 HydrophobicContact CD2-CE2 3.41Å; L978-F1022 VanDerWaalsContact CD2-CE2 3.41Å; L978-F1022 HydrophobicContact CD2-CZ 3.68Å; L978-F1029 HydrophobicContact CB-CE2 3.91Å; L978-F1029 HydrophobicContact CB-CZ 4.01Å; L978-F1029 HydrophobicContact CD2-CZ 4.4Å
979F96.8Very high95.2Very high7 Ų741.2 Ų41.23%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-116.6125.9178.6-66.4-89.7000111I934 H952 R967 L968 A970 I972 R977 I981 L986 R987 L988I934-F979 HydrophobicContact CD1-CE2 4.15Å; H952-F979 AromaticContact NE2-CE1 3.96Å; R967-F979 WeakPolarHBondContact CB-O 3.49Å; L968-F979 HydrophobicContact CB-CB 4.42Å; L968-F979 HydrophobicContact CD2-CD2 4.16Å; L968-F979 PolarHBondContact N-O 3.21Å; L968-F979 PolarHBondContact O-N 3.39Å; A970-F979 HydrophobicContact CB-CE2 4.25Å; I972-F979 HydrophobicContact CD1-CE2 4Å; I972-F979 HydrophobicContact CD1-CZ 4.14Å; R977-F979 HydrophobicContact CB-CD2 4.27Å; R977-F979 HydrophobicContact CB-CE2 3.61Å; R977-F979 HydrophobicContact CB-CZ 4.09Å; F979-I981 PolarHBondContact O-N 2.85Å; F979-L986 HydrophobicContact CB-CB 4.08Å; F979-L986 HydrophobicContact CB-CD1 4.5Å; F979-L986 HydrophobicContact CB-CD2 4.44Å; F979-L986 HydrophobicContact CD1-CB 3.76Å; F979-L986 HydrophobicContact CE1-CB 4.49Å; F979-L986 HydrophobicContact CG-CB 4.15Å; F979-L986 HydrophobicContact CG-CD1 4.46Å; F979-R987 CarbonylContact C-O 3.56Å; F979-R987 WeakPolarHBondContact CA-O 3.44Å; F979-L988 HydrophobicContact CD1-CB 4.3Å; F979-L988 HydrophobicContact CD1-CD1 4.4Å; F979-L988 HydrophobicContact CE1-CB 4.17Å; F979-L988 HydrophobicContact CE1-CD1 4.08Å; F979-L988 HydrophobicContact CZ-CD1 4.2Å
980D95Very high95.1Very high29 Ų2941.7 Ų41.716%0.15521%0.21CC..EExtended strand (participates in β ladder)trans-74.1123.9163.9-62.1-20.2000108.3R967 R987R967-D980 VanDerWaalsContact CD-OD1 3.32Å; R967-D980 WeakPolarHBondContact CD-OD1 3.32Å; R967-D980 IonicContact CZ-OD1 3.78Å; R967-D980 IonicContact NE-OD1 2.84Å; R967-D980 IonicContact NH1-OD1 3.33Å; R967-D980 PolarHBondContact NH1-OD1 2.9Å; D980-R987 HydrophobicContact CB-CB 4.46Å; D980-R987 PolarHBondContact N-O 3.46Å; D980-R987 PolarHBondContact O-N 2.77Å
981I94.2Very high95Very high7 Ų743.9 Ų43.94%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-67138.3170.2-53.3174.8000108V905 I909 L936 F979 L986V905-I981 HydrophobicContact CG1-CD1 4.1Å; I909-I981 WeakPolarHBondContact CD1-O 3.1Å; L936-I981 HydrophobicContact CD1-CG2 4.38Å; F979-I981 PolarHBondContact O-N 2.85Å; I981-L986 HydrophobicContact CB-CD2 4.44Å; I981-L986 HydrophobicContact CG1-CD2 4.04Å
982K91.9Very high94.9Very high81 Ų8144.7 Ų44.735%0.35223%0.229SC..EExtended strand (participates in β ladder)trans-134.5163.9169.7-53.5-65.6160-136.10108.1I909 D984 S985 R987I909-K982 HydrophobicContact CD1-CD 4.46Å; K982-D984 VanDerWaalsContact C-N 3.34Å; K982-D984 PolarHBondContact O-N 3.25Å; K982-S985 WeakPolarHBondContact CA-O 3.46Å; K982-S985 VanDerWaalsContact CB-O 3.29Å; K982-S985 WeakPolarHBondContact CB-O 3.3Å; K982-S985 PolarHBondContact N-O 3.06Å; K982-S985 PolarHBondContact O-N 3.45Å; K982-R987 HydrophobicContact CG-CB 4.33Å
983E86.3Confident94.8Very high139 Ų13949 Ų4965%0.6525%0.251SS*.THydrogen-bonded Turntrans-49.6-50.2-174.5-65.4174.9148.900113.2I909I909-E983 HydrophobicContact CG2-CG 3.64Å
984D87.3Confident94.6Very high143 Ų14353 Ų5377%0.76527%0.27SS*.THydrogen-bonded Turntrans-113.96.1-175.3-63.4-27.8000114.2L950 K982L950-D984 VanDerWaalsContact CD1-O 3.29Å; L950-D984 WeakPolarHBondContact CD1-O 3.47Å; K982-D984 VanDerWaalsContact C-N 3.34Å; K982-D984 PolarHBondContact O-N 3.25Å
985S92.1Very high94.5Very high55 Ų5551.3 Ų51.339%0.38526%0.257SS..EExtended strand (participates in β ladder)trans-162.1156.7-175.6580000114.7K982K982-S985 WeakPolarHBondContact CA-O 3.46Å; K982-S985 VanDerWaalsContact CB-O 3.29Å; K982-S985 WeakPolarHBondContact CB-O 3.3Å; K982-S985 PolarHBondContact N-O 3.06Å; K982-S985 PolarHBondContact O-N 3.45Å
986L95Very high94.4Very high6 Ų654.7 Ų54.73%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-91.2122.6163.2-65.1-176.5000108.8I934 L936 L950 H952 L968 F979 I981I934-L986 HydrophobicContact CB-CD1 4.03Å; I934-L986 HydrophobicContact CD1-CD1 3.98Å; I934-L986 HydrophobicContact CG2-CD1 3.82Å; L936-L986 HydrophobicContact CD1-CD2 4.28Å; L950-L986 HydrophobicContact CD2-CD2 4.05Å; L950-L986 HydrophobicContact CD2-CG 3.83Å; H952-L986 HydrophobicContact CB-CB 4.42Å; H952-L986 HydrophobicContact CB-CD1 4.06Å; H952-L986 HydrophobicContact CB-CG 4.21Å; H952-L986 PolarHBondContact CE1-O 2.94Å; L968-L986 HydrophobicContact CD1-CD1 4.37Å; F979-L986 HydrophobicContact CB-CB 4.08Å; F979-L986 HydrophobicContact CB-CD1 4.5Å; F979-L986 HydrophobicContact CB-CD2 4.44Å; F979-L986 HydrophobicContact CD1-CB 3.76Å; F979-L986 HydrophobicContact CE1-CB 4.49Å; F979-L986 HydrophobicContact CG-CB 4.15Å; F979-L986 HydrophobicContact CG-CD1 4.46Å; I981-L986 HydrophobicContact CB-CD2 4.44Å; I981-L986 HydrophobicContact CG1-CD2 4.04Å
987R95Very high94.3Very high166 Ų16656.1 Ų56.163%0.62628%0.281SS*.EExtended strand (participates in β ladder)trans-98.6119.7175178.2178.7174.8171.4-2.6109.4F979 D980 K982 A989F979-R987 CarbonylContact C-O 3.56Å; F979-R987 WeakPolarHBondContact CA-O 3.44Å; D980-R987 HydrophobicContact CB-CB 4.46Å; D980-R987 PolarHBondContact N-O 3.46Å; D980-R987 PolarHBondContact O-N 2.77Å; K982-R987 HydrophobicContact CG-CB 4.33Å; R987-A989 PolarHBondContact O-N 2.87Å; R987-A989 VanDerWaalsContact O-N 3.16Å
988L96.2Very high94.3Very high81 Ų8153.6 Ų53.642%0.42427%0.271SS..EExtended strand (participates in β ladder)trans-59.5119.4172.7-175.965.6000110.1R977 F979 C990R977-L988 HydrophobicContact CB-CD1 3.74Å; R977-L988 HydrophobicContact CG-CD1 4.11Å; F979-L988 HydrophobicContact CD1-CB 4.3Å; F979-L988 HydrophobicContact CD1-CD1 4.4Å; F979-L988 HydrophobicContact CE1-CB 4.17Å; F979-L988 HydrophobicContact CE1-CD1 4.08Å; F979-L988 HydrophobicContact CZ-CD1 4.2Å; L988-C990 WeakPolarHBondContact CD1-O 3.24Å
989A94.7Very high94.2Very high23 Ų2355.4 Ų55.419%0.1928%0.281CS..EExtended strand (participates in β ladder)trans-91.4-47.4178.900000111L978 R987 N1027L978-A989 HydrophobicContact CB-CB 4.44Å; L978-A989 HydrophobicContact CD2-CB 4.41Å; L978-A989 HydrophobicContact CG-CB 4.31Å; L978-A989 WeakPolarHBondContact O-CB 3.44Å; L978-A989 PolarHBondContact O-N 2.87Å; R987-A989 PolarHBondContact O-N 2.87Å; R987-A989 VanDerWaalsContact O-N 3.16Å; A989-N1027 PolarHBondContact O-ND2 3.37Å
990C95.8Very high94.3Very high11 Ų1156.5 Ų56.57%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-158.9167.2173.160.70000112L978 L988 N1027 N1028 F1029L978-C990 PolarHBondContact N-O 3.47Å; L978-C990 PolarHBondContact O-N 3.04Å; L988-C990 WeakPolarHBondContact CD1-O 3.24Å; C990-N1027 WeakPolarHBondContact CB-O 3.28Å; C990-N1028 HydrophobicContact CB-CB 4.46Å; C990-N1028 WeakPolarHBondContact CB-OD1 3.47Å; C990-F1029 VanDerWaalsContact SG-CD2 3.55Å; C990-F1029 WeakPolarHBondContact SG-CE2 3.5Å
991S96.2Very high94.4Very high46 Ų4655.2 Ų55.232%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-143.6145.7175.5660000112.6V976V976-S991 CarbonylContact O-C 3.57Å; V976-S991 WeakPolarHBondContact O-CA 3.37Å
992F96.5Very high94.5Very high17 Ų1757.5 Ų57.58%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-123.7121172177.4-97.6000110S975 V976 E994 N995 T1018 L1020 F1029 A1031S975-F992 WeakPolarHBondContact CA-O 3.38Å; V976-F992 HydrophobicContact CB-CB 4.41Å; V976-F992 PolarHBondContact N-O 2.77Å; V976-F992 PolarHBondContact O-N 2.87Å; F992-E994 HydrophobicContact CE1-CB 4.16Å; F992-E994 HydrophobicContact CE2-CB 4.17Å; F992-E994 HydrophobicContact CE2-CG 4.08Å; F992-E994 HydrophobicContact CZ-CB 3.73Å; F992-E994 HydrophobicContact CZ-CG 4.16Å; F992-N995 WeakPolarHBondContact CE1-OD1 3.15Å; F992-T1018 HydrophobicContact CE1-CG2 4.05Å; F992-T1018 HydrophobicContact CZ-CG2 4.13Å; F992-L1020 HydrophobicContact CB-CD1 4.08Å; F992-L1020 HydrophobicContact CD1-CD1 3.79Å; F992-L1020 HydrophobicContact CD1-CD2 3.85Å; F992-L1020 HydrophobicContact CD1-CG 4.42Å; F992-L1020 HydrophobicContact CD2-CD2 4.05Å; F992-L1020 HydrophobicContact CE1-CD1 4.43Å; F992-L1020 HydrophobicContact CE1-CD2 3.77Å; F992-L1020 HydrophobicContact CE2-CD2 3.98Å; F992-L1020 HydrophobicContact CG-CD1 3.95Å; F992-L1020 HydrophobicContact CG-CD2 3.98Å; F992-L1020 HydrophobicContact CZ-CD2 3.81Å; F992-F1029 HydrophobicContact CB-CB 4.37Å; F992-F1029 HydrophobicContact CB-CD2 4.38Å; F992-A1031 HydrophobicContact CE2-CB 3.74Å; F992-A1031 HydrophobicContact CZ-CB 3.86Å
993N94.7Very high94.6Very high89 Ų8958.5 Ų58.548%0.47629%0.289SS..  trans-121.111.5-162.6-56-27.4000114.1S975 N995S975-N993 WeakPolarHBondContact CB-OD1 3.27Å; N993-N995 PolarHBondContact O-N 2.7Å; N993-N995 VanDerWaalsContact O-N 3.17Å
994E92.6Very high95Very high107 Ų10755.1 Ų55.150%0.527%0.272SS..  trans-89.136.4-173.7-60.1-177.8-166.600113.7F992 R1015 R1034F992-E994 HydrophobicContact CE1-CB 4.16Å; F992-E994 HydrophobicContact CE2-CB 4.17Å; F992-E994 HydrophobicContact CE2-CG 4.08Å; F992-E994 HydrophobicContact CZ-CB 3.73Å; F992-E994 HydrophobicContact CZ-CG 4.16Å; E994-R1015 PolarHBondContact O-NH1 2.75Å; E994-R1034 PolarHBondContact O-NH2 2.59Å; E994-R1034 IonicContact OE2-CZ 3Å; E994-R1034 VanDerWaalsContact OE2-CZ 3.22Å; E994-R1034 IonicContact OE2-NH1 3.66Å; E994-R1034 PolarHBondContact OE2-NH1 2.66Å; E994-R1034 IonicContact OE2-NH2 2.71Å; E994-R1034 PolarHBondContact OE2-NH2 2.81Å
995N94.1Very high95.2Very high14 Ų1450.4 Ų50.48%0.07526%0.257CS..  trans-119.1168.4-179.3-39.6-71.8000109.2S974 F992 N993 V998 D1012S974-N995 WeakPolarHBondContact CB-O 3.24Å; S974-N995 WeakPolarHBondContact O-CB 3.45Å; S974-N995 PolarHBondContact O-ND2 3.23Å; F992-N995 WeakPolarHBondContact CE1-OD1 3.15Å; N993-N995 PolarHBondContact O-N 2.7Å; N993-N995 VanDerWaalsContact O-N 3.17Å; N995-V998 HydrophobicContact CB-CG2 3.58Å; N995-V998 WeakPolarHBondContact ND2-CG2 3.37Å; N995-D1012 WeakPolarHBondContact CA-OD2 3.48Å; N995-D1012 VanDerWaalsContact CB-OD2 3.32Å; N995-D1012 WeakPolarHBondContact CB-OD2 3.33Å
996I95.1Very high95.2Very high74 Ų7451 Ų5138%0.37926%0.256SS..SBendtrans-89.6-66.2171.2-73.3168.1000108.6S974 D1012 M1014 R1015S974-I996 WeakPolarHBondContact CA-O 3.42Å; S974-I996 WeakPolarHBondContact CB-O 3.19Å; I996-D1012 PolarHBondContact N-OD2 3.08Å; I996-M1014 HydrophobicContact CD1-CG 3.65Å; I996-M1014 HydrophobicContact CD1-SD 3.54Å; I996-M1014 VanDerWaalsContact CD1-SD 3.54Å; I996-M1014 HydrophobicContact CG2-CE 4.34Å; I996-R1015 HydrophobicContact CD1-CG 3.67Å; I996-R1015 HydrophobicContact CG1-CG 4.16Å
997I95.8Very high95.2Very high30 Ų3052.9 Ų52.915%0.15426%0.264CS..  trans-139.9126170-64.1-179.6000107.4Y959 L999 D1012 L1013Y959-I997 HydrophobicContact CD2-CG2 3.95Å; Y959-I997 HydrophobicContact CE2-CG2 3.57Å; I997-L999 HydrophobicContact CG2-CD2 3.71Å; I997-L999 HydrophobicContact CG2-CG 4.14Å; I997-D1012 CarbonylContact O-C 3.55Å; I997-D1012 WeakPolarHBondContact O-CA 3.46Å; I997-L1013 HydrophobicContact CB-CB 4.09Å; I997-L1013 HydrophobicContact CB-CD2 4.34Å; I997-L1013 HydrophobicContact CD1-CD2 4.1Å; I997-L1013 PolarHBondContact O-N 3.04Å
998V97.3Very high95.3Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-90.6108.7176.7-177.20000108.9Y959 A971 N973 V976 N995 L1001 V1010Y959-V998 VanDerWaalsContact CB-O 3.31Å; Y959-V998 WeakPolarHBondContact CB-O 3.43Å; A971-V998 HydrophobicContact CB-CB 3.87Å; A971-V998 HydrophobicContact CB-CG1 3.53Å; A971-V998 WeakPolarHBondContact CB-O 3.33Å; N973-V998 PolarHBondContact O-N 2.77Å; V976-V998 HydrophobicContact CG2-CG1 4.18Å; V976-V998 HydrophobicContact CG2-CG2 3.94Å; N995-V998 HydrophobicContact CB-CG2 3.58Å; N995-V998 WeakPolarHBondContact ND2-CG2 3.37Å; V998-L1001 HydrophobicContact CG1-CD2 4.02Å; V998-L1001 HydrophobicContact CG1-CG 4.14Å; V998-V1010 HydrophobicContact CB-CG1 4.35Å; V998-V1010 HydrophobicContact CG1-CG1 3.61Å; V998-V1010 HydrophobicContact CG2-CG1 3.83Å
999L96.6Very high95.3Very high38 Ų3841.1 Ų41.120%0.19921%0.214CC..EExtended strand (participates in β ladder)trans-96.5-28.5179.2-65.5-179.1000112.5Y959 I997 G1011 L1013Y959-L999 HydrophobicContact CD1-CD2 3.67Å; Y959-L999 HydrophobicContact CD2-CD2 4.36Å; Y959-L999 HydrophobicContact CE1-CD2 3.97Å; Y959-L999 HydrophobicContact CG-CD2 3.88Å; I997-L999 HydrophobicContact CG2-CD2 3.71Å; I997-L999 HydrophobicContact CG2-CG 4.14Å; L999-G1011 PolarHBondContact N-O 3.24Å; L999-G1011 VanDerWaalsContact N-O 3.09Å; L999-L1013 HydrophobicContact CD1-CB 4.13Å; L999-L1013 HydrophobicContact CD1-CD1 3.83Å; L999-L1013 HydrophobicContact CG-CB 4.46Å
1000F97.4Very high95.5Very high30 Ų3040 Ų4013%0.13221%0.205CC..EExtended strand (participates in β ladder)trans-131.4140.4-172.4-45.5-77.5000112G1011 T1041 T1042 I1044F1000-G1011 PolarHBondContact N-O 3.37Å; F1000-G1011 PolarHBondContact O-N 2.84Å; F1000-T1041 HydrophobicContact CD2-CG2 4.11Å; F1000-T1041 HydrophobicContact CE2-CG2 4.38Å; F1000-T1041 VanDerWaalsContact CE2-O 3.27Å; F1000-T1041 WeakPolarHBondContact CE2-O 3.48Å; F1000-T1042 WeakPolarHBondContact CE1-O 3.2Å; F1000-T1042 VanDerWaalsContact CZ-C 3.4Å; F1000-T1042 WeakPolarHBondContact CZ-O 3.45Å; F1000-I1044 HydrophobicContact CB-CD1 3.68Å; F1000-I1044 HydrophobicContact CB-CG1 3.82Å; F1000-I1044 HydrophobicContact CB-CG2 4.21Å
1001L97.2Very high95.6Very high2 Ų239.5 Ų39.51%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-137.5137173.4-71.3176.1000109.6R960 V962 L969 A971 V976 V998 V1008 L1009 V1010R960-L1001 HydrophobicContact CB-CB 4.41Å; R960-L1001 HydrophobicContact CG-CB 4.08Å; V962-L1001 HydrophobicContact CG2-CB 3.73Å; L969-L1001 HydrophobicContact CD2-CD1 4.41Å; L969-L1001 HydrophobicContact CG-CD1 4.14Å; A971-L1001 HydrophobicContact CB-CD1 3.68Å; A971-L1001 HydrophobicContact CB-CG 4.05Å; V976-L1001 HydrophobicContact CG1-CD1 4.36Å; V976-L1001 HydrophobicContact CG1-CD2 4.12Å; V976-L1001 HydrophobicContact CG2-CD2 4.07Å; V998-L1001 HydrophobicContact CG1-CD2 4.02Å; V998-L1001 HydrophobicContact CG1-CG 4.14Å; L1001-V1008 HydrophobicContact CD2-CG1 3.93Å; L1001-L1009 WeakPolarHBondContact CA-O 3.44Å; L1001-V1010 HydrophobicContact CD2-CB 4.35Å; L1001-V1010 HydrophobicContact CD2-CG1 4.31Å; L1001-V1010 HydrophobicContact CD2-CG2 3.94Å
1002R96.5Very high95.6Very high55 Ų5537.4 Ų37.421%0.20819%0.187CC..EExtended strand (participates in β ladder)trans-133.8152.4167.5-73.5-63.2-156.6-142.4-1.3109.6R960 V1008 L1009 I1044 E1045 I1046 F1191R960-R1002 VanDerWaalsContact NH2-NH1 3.13Å; R1002-V1008 WeakPolarHBondContact O-CA 2.98Å; R1002-L1009 HydrophobicContact CB-CB 4.45Å; R1002-L1009 PolarHBondContact N-O 2.84Å; R1002-L1009 VanDerWaalsContact N-O 3.07Å; R1002-L1009 PolarHBondContact O-N 3.27Å; R1002-I1044 HydrophobicContact CB-CD1 4.47Å; R1002-I1044 HydrophobicContact CB-CG1 4.44Å; R1002-I1044 HydrophobicContact CG-CD1 4.33Å; R1002-I1044 HydrophobicContact CG-CG1 3.85Å; R1002-E1045 WeakPolarHBondContact CD-OE1 3.23Å; R1002-E1045 IonicContact CZ-OE2 2.67Å; R1002-E1045 VanDerWaalsContact NE-CD 3.31Å; R1002-E1045 IonicContact NE-OE1 2.79Å; R1002-E1045 PolarHBondContact NE-OE1 2.67Å; R1002-E1045 VanDerWaalsContact NE-OE1 3.14Å; R1002-E1045 IonicContact NE-OE2 3.22Å; R1002-E1045 PolarHBondContact NE-OE2 2.74Å; R1002-E1045 IonicContact NH2-OE2 2.66Å; R1002-E1045 PolarHBondContact NH2-OE2 2.83Å; R1002-I1046 HydrophobicContact CB-CD1 3.92Å; R1002-I1046 HydrophobicContact CB-CG1 3.95Å; R1002-F1191 PolarHBondContact NH2-O 3.03Å
1003R94.8Very high95.5Very high102 Ų10238.9 Ų38.939%0.38520%0.195SC..EExtended strand (participates in β ladder)trans-132.6144.3179.967.784162.2153-9.6112.3V962 D963 F964 F1007V962-R1003 HydrophobicContact CG1-CB 4.49Å; V962-R1003 HydrophobicContact CG1-CG 3.65Å; D963-R1003 WeakPolarHBondContact O-CG 3.47Å; D963-R1003 PolarHBondContact O-NE 3.05Å; D963-R1003 IonicContact OD2-CZ 2.72Å; D963-R1003 IonicContact OD2-NE 3.81Å; D963-R1003 IonicContact OD2-NH2 3.33Å; D963-R1003 PolarHBondContact OD2-NH2 3Å; F964-R1003 HydrophobicContact CD2-CB 4.02Å; F964-R1003 HydrophobicContact CD2-CG 4.31Å; F964-R1003 HydrophobicContact CE2-CB 4.32Å; R1003-F1007 VanDerWaalsContact CA-O 3.27Å; R1003-F1007 WeakPolarHBondContact CA-O 3.31Å
1004K93.7Very high95.4Very high69 Ų6937.5 Ų37.530%0.319%0.186SC..EExtended strand (participates in β ladder)trans-144.7108172.3-172.8-173.8176.4-157.10108.8D1006 F1007 I1046 D1048 D1049K1004-D1006 PolarHBondContact O-N 2.85Å; K1004-F1007 PolarHBondContact N-O 3.12Å; K1004-F1007 WeakPolarHBondContact O-CB 3.3Å; K1004-F1007 PolarHBondContact O-N 2.81Å; K1004-I1046 HydrophobicContact CB-CD1 3.96Å; K1004-I1046 HydrophobicContact CB-CG2 3.94Å; K1004-I1046 HydrophobicContact CD-CG2 3.76Å; K1004-I1046 HydrophobicContact CG-CG2 4.47Å; K1004-D1048 VanDerWaalsContact NZ-C 3.32Å; K1004-D1049 WeakPolarHBondContact CD-OD1 2.89Å; K1004-D1049 VanDerWaalsContact CE-OD1 3.23Å; K1004-D1049 WeakPolarHBondContact CE-OD1 3.27Å; K1004-D1049 IonicContact NZ-OD1 3.57Å; K1004-D1049 PolarHBondContact NZ-OD1 2.97Å; K1004-D1049 IonicContact NZ-OD2 2.77Å; K1004-D1049 PolarHBondContact NZ-OD2 3.45Å
1005G91.5Very high95.4Very high44 Ų4438.5 Ų38.545%0.45419%0.185SC..THydrogen-bonded Turntrans55.3-127.9-166.900000110.5
1006D93.1Very high95.4Very high68 Ų6837.8 Ų37.836%0.36418%0.182SC..THydrogen-bonded Turntrans-84.6-2.9177.1-64.2-40.3000114.2K1004 L1021 F1022K1004-D1006 PolarHBondContact O-N 2.85Å; D1006-L1021 HydrophobicContact CB-CD1 3.91Å; D1006-F1022 HydrophobicContact CB-CB 4.38Å; D1006-F1022 PolarHBondContact O-N 3.28Å
1007F94.4Very high95.4Very high45 Ų4534.3 Ų34.320%0.19716%0.164CC..EExtended strand (participates in β ladder)trans-81.1137.5174.4-62.4-68.2000111.4R1003 K1004 L1019 L1020 L1021 I1032R1003-F1007 VanDerWaalsContact CA-O 3.27Å; R1003-F1007 WeakPolarHBondContact CA-O 3.31Å; K1004-F1007 PolarHBondContact N-O 3.12Å; K1004-F1007 WeakPolarHBondContact O-CB 3.3Å; K1004-F1007 PolarHBondContact O-N 2.81Å; F1007-L1019 HydrophobicContact CB-CD1 4.35Å; F1007-L1019 HydrophobicContact CD1-CD1 4.48Å; F1007-L1020 WeakPolarHBondContact CA-O 3.36Å; F1007-L1021 HydrophobicContact CD1-CB 4.44Å; F1007-L1021 HydrophobicContact CD1-CD1 3.98Å; F1007-L1021 HydrophobicContact CE1-CD1 3.87Å; F1007-L1021 HydrophobicContact CZ-CD1 4.48Å; F1007-I1032 HydrophobicContact CD1-CD1 3.84Å; F1007-I1032 HydrophobicContact CE1-CD1 3.55Å
1008V96.7Very high95.5Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-124.4119.8171.8174.80000108.7F964 L969 L1001 R1002 V1010 L1020 F1029F964-V1008 HydrophobicContact CD2-CG2 4.05Å; F964-V1008 HydrophobicContact CE2-CG2 3.54Å; F964-V1008 HydrophobicContact CZ-CG2 4.28Å; L969-V1008 HydrophobicContact CD2-CB 4.41Å; L969-V1008 HydrophobicContact CD2-CG1 3.79Å; L969-V1008 HydrophobicContact CD2-CG2 3.66Å; L1001-V1008 HydrophobicContact CD2-CG1 3.93Å; R1002-V1008 WeakPolarHBondContact O-CA 2.98Å; V1008-V1010 HydrophobicContact CG1-CG2 4.15Å; V1008-L1020 HydrophobicContact CB-CB 4.24Å; V1008-L1020 PolarHBondContact N-O 2.74Å; V1008-L1020 PolarHBondContact O-N 2.8Å; V1008-F1029 HydrophobicContact CG2-CE1 3.94Å
1009L97.5Very high95.4Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-92.9127.7171.5-172.871.3000108.9L1001 R1002 L1017 L1019 I1044 I1046 F1052L1001-L1009 WeakPolarHBondContact CA-O 3.44Å; R1002-L1009 HydrophobicContact CB-CB 4.45Å; R1002-L1009 PolarHBondContact N-O 2.84Å; R1002-L1009 VanDerWaalsContact N-O 3.07Å; R1002-L1009 PolarHBondContact O-N 3.27Å; L1009-L1017 HydrophobicContact CD1-CB 4.37Å; L1009-L1019 HydrophobicContact CD1-CD1 4.3Å; L1009-I1044 HydrophobicContact CB-CD1 4.35Å; L1009-I1044 HydrophobicContact CD2-CB 4.02Å; L1009-I1044 HydrophobicContact CD2-CD1 4.06Å; L1009-I1044 HydrophobicContact CD2-CG1 4.19Å; L1009-I1044 HydrophobicContact CG-CD1 4.03Å; L1009-I1044 WeakPolarHBondContact O-CD1 3.48Å; L1009-I1046 HydrophobicContact CB-CD1 3.85Å; L1009-I1046 HydrophobicContact CB-CG1 3.77Å; L1009-I1046 HydrophobicContact CD2-CG1 3.95Å; L1009-I1046 HydrophobicContact CG-CG1 4.49Å; L1009-F1052 HydrophobicContact CD1-CB 3.96Å; L1009-F1052 HydrophobicContact CD1-CD1 3.96Å; L1009-F1052 HydrophobicContact CD1-CG 3.91Å; L1009-F1052 HydrophobicContact CD2-CB 3.91Å; L1009-F1052 HydrophobicContact CD2-CD1 4.25Å; L1009-F1052 HydrophobicContact CD2-CG 4.43Å
1010V97.8Very high95.4Very high0 Ų031.2 Ų31.20%015%0.148CC..EExtended strand (participates in β ladder)trans-112.3120.6-176.5-173.60000108.8V976 V998 L1001 V1008 L1017 T1018 L1020V976-V1010 HydrophobicContact CG2-CG1 3.92Å; V976-V1010 HydrophobicContact CG2-CG2 3.97Å; V998-V1010 HydrophobicContact CB-CG1 4.35Å; V998-V1010 HydrophobicContact CG1-CG1 3.61Å; V998-V1010 HydrophobicContact CG2-CG1 3.83Å; L1001-V1010 HydrophobicContact CD2-CB 4.35Å; L1001-V1010 HydrophobicContact CD2-CG1 4.31Å; L1001-V1010 HydrophobicContact CD2-CG2 3.94Å; V1008-V1010 HydrophobicContact CG1-CG2 4.15Å; V1010-L1017 WeakPolarHBondContact O-CA 3.15Å; V1010-T1018 WeakPolarHBondContact CB-O 3.41Å; V1010-T1018 PolarHBondContact N-O 3.29Å; V1010-T1018 PolarHBondContact O-N 2.89Å; V1010-L1020 HydrophobicContact CG2-CD1 3.7Å; V1010-L1020 HydrophobicContact CG2-CG 3.89Å
1011G97.3Very high95.2Very high0 Ų031.8 Ų31.80%015%0.152CC..EExtended strand (participates in β ladder)trans-100.5113.2172.400000110.5L999 F1000L999-G1011 PolarHBondContact N-O 3.24Å; L999-G1011 VanDerWaalsContact N-O 3.09Å; F1000-G1011 PolarHBondContact N-O 3.37Å; F1000-G1011 PolarHBondContact O-N 2.84Å
1012D96.8Very high95.2Very high2 Ų232 Ų321%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-91.1147.9177.7-174.1-74.5000110.9N995 I996 I997 M1014 R1015 S1016 T1041N995-D1012 WeakPolarHBondContact CA-OD2 3.48Å; N995-D1012 VanDerWaalsContact CB-OD2 3.32Å; N995-D1012 WeakPolarHBondContact CB-OD2 3.33Å; I996-D1012 PolarHBondContact N-OD2 3.08Å; I997-D1012 CarbonylContact O-C 3.55Å; I997-D1012 WeakPolarHBondContact O-CA 3.46Å; D1012-M1014 PolarHBondContact O-N 2.94Å; D1012-M1014 PolarHBondContact OD1-N 2.9Å; D1012-R1015 HydrophobicContact CB-CB 3.91Å; D1012-R1015 WeakPolarHBondContact OD1-CG 3.43Å; D1012-R1015 PolarHBondContact OD1-N 2.92Å; D1012-S1016 PolarHBondContact N-O 2.81Å; D1012-T1041 WeakPolarHBondContact O-CB 3.2Å; D1012-T1041 PolarHBondContact O-OG1 2.76Å
1013L94.5Very high95.1Very high47 Ų4732.3 Ų32.325%0.24616%0.156CC..SBendtrans-49.8-37.3175.7172.564.6000113.7I997 L999 W1040I997-L1013 HydrophobicContact CB-CB 4.09Å; I997-L1013 HydrophobicContact CB-CD2 4.34Å; I997-L1013 HydrophobicContact CD1-CD2 4.1Å; I997-L1013 PolarHBondContact O-N 3.04Å; L999-L1013 HydrophobicContact CD1-CB 4.13Å; L999-L1013 HydrophobicContact CD1-CD1 3.83Å; L999-L1013 HydrophobicContact CG-CB 4.46Å; L1013-W1040 HydrophobicContact CD1-CE3 3.78Å; L1013-W1040 HydrophobicContact CD1-CZ3 3.82Å; L1013-W1040 HydrophobicContact CD2-CZ3 4.26Å; L1013-W1040 HydrophobicContact CG-CE3 4Å; L1013-W1040 HydrophobicContact CG-CZ3 3.83Å; L1013-W1040 VanDerWaalsContact O-CA 3.27Å; L1013-W1040 WeakPolarHBondContact O-CA 3.41Å; L1013-W1040 VanDerWaalsContact O-CE3 3.27Å
1014M92.4Very high94.8Very high61 Ų6130.9 Ų30.930%0.316%0.161SC..SBendtrans-142.2-15.2-178.666.217571.400115I996 D1012 S1016 P1038 R1039 W1040I996-M1014 HydrophobicContact CD1-CG 3.65Å; I996-M1014 HydrophobicContact CD1-SD 3.54Å; I996-M1014 VanDerWaalsContact CD1-SD 3.54Å; I996-M1014 HydrophobicContact CG2-CE 4.34Å; D1012-M1014 PolarHBondContact O-N 2.94Å; D1012-M1014 PolarHBondContact OD1-N 2.9Å; M1014-S1016 VanDerWaalsContact C-N 3.28Å; M1014-S1016 PolarHBondContact O-N 2.89Å; M1014-P1038 CarbonylContact O-C 3.57Å; M1014-P1038 WeakPolarHBondContact O-CA 3.49Å; M1014-R1039 CarbonylContact C-O 3.57Å; M1014-R1039 VanDerWaalsContact CA-O 3.27Å; M1014-R1039 WeakPolarHBondContact CA-O 3.2Å; M1014-R1039 PolarHBondContact O-N 2.89Å; M1014-W1040 HydrophobicContact CB-CD2 4.11Å; M1014-W1040 HydrophobicContact CB-CE3 4.28Å; M1014-W1040 HydrophobicContact CB-CZ2 4.3Å; M1014-W1040 HydrophobicContact CB-CZ3 4.48Å; M1014-W1040 HydrophobicContact CE-CH2 3.7Å; M1014-W1040 HydrophobicContact CE-CZ2 4.16Å; M1014-W1040 HydrophobicContact CE-CZ3 4.18Å
1015R92.9Very high94.7Very high127 Ų12734.4 Ų34.448%0.47918%0.183SC..BIsolated β-bridgetrans-89.818.7178.3-49.7-170.787.917511.1113.7E994 I996 D1012 L1017E994-R1015 PolarHBondContact O-NH1 2.75Å; I996-R1015 HydrophobicContact CD1-CG 3.67Å; I996-R1015 HydrophobicContact CG1-CG 4.16Å; D1012-R1015 HydrophobicContact CB-CB 3.91Å; D1012-R1015 WeakPolarHBondContact OD1-CG 3.43Å; D1012-R1015 PolarHBondContact OD1-N 2.92Å; R1015-L1017 PolarHBondContact O-N 2.76Å
1016S94.1Very high94.8Very high0 Ų036.9 Ų36.90%019%0.189CC..  trans55.6-126.3-179.9-1650000112.4D1012 M1014 H1035 H1037 R1039D1012-S1016 PolarHBondContact N-O 2.81Å; M1014-S1016 VanDerWaalsContact C-N 3.28Å; M1014-S1016 PolarHBondContact O-N 2.89Å; S1016-H1035 PolarHBondContact OG-ND1 2.68Å; S1016-H1037 WeakPolarHBondContact CB-O 3.42Å; S1016-R1039 PolarHBondContact N-O 2.8Å; S1016-R1039 WeakPolarHBondContact OG-CG 3.21Å
1017L96.1Very high94.7Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-111.4133.2-168.3-55.9178.3000113.1L1009 V1010 R1015 H1035 T1041 I1044 A1054 F1062 V1064L1009-L1017 HydrophobicContact CD1-CB 4.37Å; V1010-L1017 WeakPolarHBondContact O-CA 3.15Å; R1015-L1017 PolarHBondContact O-N 2.76Å; L1017-H1035 HydrophobicContact CB-CB 4.26Å; L1017-H1035 PolarHBondContact O-N 2.83Å; L1017-T1041 HydrophobicContact CD2-CG2 4.38Å; L1017-I1044 HydrophobicContact CD2-CB 4.32Å; L1017-I1044 HydrophobicContact CD2-CG2 3.48Å; L1017-I1044 VanDerWaalsContact CD2-CG2 3.48Å; L1017-A1054 HydrophobicContact CD1-CB 3.9Å; L1017-A1054 HydrophobicContact CD2-CB 4.09Å; L1017-A1054 HydrophobicContact CG-CB 4.35Å; L1017-F1062 HydrophobicContact CD1-CE2 4.18Å; L1017-V1064 HydrophobicContact CD1-CG1 4.39Å; L1017-V1064 HydrophobicContact CD1-CG2 3.61Å
1018T96.1Very high94.7Very high3 Ų337.3 Ų37.32%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-118.5130.6164.8-64.70000109.6F992 V1010 L1020 A1031 R1034F992-T1018 HydrophobicContact CE1-CG2 4.05Å; F992-T1018 HydrophobicContact CZ-CG2 4.13Å; V1010-T1018 WeakPolarHBondContact CB-O 3.41Å; V1010-T1018 PolarHBondContact N-O 3.29Å; V1010-T1018 PolarHBondContact O-N 2.89Å; T1018-L1020 HydrophobicContact CG2-CD2 3.72Å; T1018-L1020 HydrophobicContact CG2-CG 4.38Å; T1018-A1031 HydrophobicContact CG2-CB 4.32Å; T1018-R1034 HydrophobicContact CG2-CG 4.08Å; T1018-R1034 VanDerWaalsContact OG1-CG 3.27Å; T1018-R1034 WeakPolarHBondContact OG1-CG 3.42Å; T1018-R1034 PolarHBondContact OG1-NE 3.33Å
1019L95.9Very high94.6Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-100.8118.7174.4-177.569.3000109.4F1007 L1009 I1032 G1033 F1052 L1176F1007-L1019 HydrophobicContact CB-CD1 4.35Å; F1007-L1019 HydrophobicContact CD1-CD1 4.48Å; L1009-L1019 HydrophobicContact CD1-CD1 4.3Å; L1019-I1032 HydrophobicContact CB-CG1 4.32Å; L1019-I1032 HydrophobicContact CD2-CD1 3.56Å; L1019-I1032 HydrophobicContact CD2-CG1 3.86Å; L1019-I1032 HydrophobicContact CG-CD1 3.87Å; L1019-I1032 HydrophobicContact CG-CG1 3.82Å; L1019-I1032 WeakPolarHBondContact O-CG1 3.42Å; L1019-I1032 PolarHBondContact O-N 3.01Å; L1019-G1033 PolarHBondContact N-O 3.27Å; L1019-G1033 PolarHBondContact O-N 2.74Å; L1019-F1052 HydrophobicContact CD1-CD1 4.38Å; L1019-F1052 HydrophobicContact CD1-CE1 3.74Å; L1019-F1052 HydrophobicContact CD1-CZ 3.83Å; L1019-F1052 HydrophobicContact CD2-CE1 4.26Å; L1019-F1052 HydrophobicContact CD2-CE2 3.76Å; L1019-F1052 HydrophobicContact CD2-CZ 3.46Å; L1019-F1052 VanDerWaalsContact CD2-CZ 3.46Å; L1019-F1052 HydrophobicContact CG-CZ 4.26Å; L1019-L1176 HydrophobicContact CB-CD1 4.16Å
1020L95.9Very high94.4Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-104.2147.7174.9-51.7179.2000110.2V976 F992 F1007 V1008 V1010 T1018 F1029 E1030 A1031V976-L1020 HydrophobicContact CG1-CD1 4.47Å; F992-L1020 HydrophobicContact CB-CD1 4.08Å; F992-L1020 HydrophobicContact CD1-CD1 3.79Å; F992-L1020 HydrophobicContact CD1-CD2 3.85Å; F992-L1020 HydrophobicContact CD1-CG 4.42Å; F992-L1020 HydrophobicContact CD2-CD2 4.05Å; F992-L1020 HydrophobicContact CE1-CD1 4.43Å; F992-L1020 HydrophobicContact CE1-CD2 3.77Å; F992-L1020 HydrophobicContact CE2-CD2 3.98Å; F992-L1020 HydrophobicContact CG-CD1 3.95Å; F992-L1020 HydrophobicContact CG-CD2 3.98Å; F992-L1020 HydrophobicContact CZ-CD2 3.81Å; F1007-L1020 WeakPolarHBondContact CA-O 3.36Å; V1008-L1020 HydrophobicContact CB-CB 4.24Å; V1008-L1020 PolarHBondContact N-O 2.74Å; V1008-L1020 PolarHBondContact O-N 2.8Å; V1010-L1020 HydrophobicContact CG2-CD1 3.7Å; V1010-L1020 HydrophobicContact CG2-CG 3.89Å; T1018-L1020 HydrophobicContact CG2-CD2 3.72Å; T1018-L1020 HydrophobicContact CG2-CG 4.38Å; L1020-F1029 HydrophobicContact CB-CB 4.45Å; L1020-F1029 HydrophobicContact CB-CD1 4.16Å; L1020-F1029 HydrophobicContact CD1-CB 4.23Å; L1020-F1029 HydrophobicContact CD1-CD1 4.31Å; L1020-F1029 HydrophobicContact CD1-CG 4.13Å; L1020-E1030 CarbonylContact C-O 3.54Å; L1020-E1030 WeakPolarHBondContact CA-O 3.4Å; L1020-A1031 HydrophobicContact CD2-CB 3.59Å
1021L95.1Very high94.2Very high42 Ų4243.3 Ų43.322%0.2223%0.225CC..EExtended strand (participates in β ladder)trans-115.1125.6166.1174.962.8000108.5D1006 F1007 K1023 E1030 I1032D1006-L1021 HydrophobicContact CB-CD1 3.91Å; F1007-L1021 HydrophobicContact CD1-CB 4.44Å; F1007-L1021 HydrophobicContact CD1-CD1 3.98Å; F1007-L1021 HydrophobicContact CE1-CD1 3.87Å; F1007-L1021 HydrophobicContact CZ-CD1 4.48Å; L1021-K1023 HydrophobicContact CD2-CG 4.46Å; L1021-K1023 HydrophobicContact CG-CG 4.41Å; L1021-K1023 PolarHBondContact O-N 2.96Å; L1021-E1030 PolarHBondContact N-O 2.99Å; L1021-E1030 PolarHBondContact O-N 3.13Å; L1021-I1032 HydrophobicContact CB-CD1 4.09Å; L1021-I1032 HydrophobicContact CB-CG1 4.27Å; L1021-I1032 HydrophobicContact CB-CG2 3.83Å; L1021-I1032 HydrophobicContact CD2-CG2 4.39Å
1022F95.7Very high94Very high6 Ų644.6 Ų44.63%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-77.5120.7170.3-175.2-111.7000110.2F964 L978 D1006 S1024 F1029F964-F1022 HydrophobicContact CE1-CB 3.99Å; F964-F1022 AromaticContact CE1-CD1 3.81Å; F964-F1022 HydrophobicContact CE1-CD1 3.81Å; F964-F1022 HydrophobicContact CE1-CE1 4.43Å; F964-F1022 AromaticContact CE1-CG 3.85Å; F964-F1022 HydrophobicContact CE1-CG 3.85Å; F964-F1022 HydrophobicContact CZ-CB 3.64Å; F964-F1022 HydrophobicContact CZ-CD1 4.24Å; F964-F1022 HydrophobicContact CZ-CG 4.04Å; L978-F1022 HydrophobicContact CD2-CD2 3.96Å; L978-F1022 HydrophobicContact CD2-CE1 4.42Å; L978-F1022 HydrophobicContact CD2-CE2 3.41Å; L978-F1022 VanDerWaalsContact CD2-CE2 3.41Å; L978-F1022 HydrophobicContact CD2-CZ 3.68Å; D1006-F1022 HydrophobicContact CB-CB 4.38Å; D1006-F1022 PolarHBondContact O-N 3.28Å; F1022-S1024 WeakPolarHBondContact CD1-OG 3.34Å; F1022-S1024 WeakPolarHBondContact CE1-OG 3.3Å; F1022-F1029 HydrophobicContact CB-CD1 4.01Å; F1022-F1029 HydrophobicContact CB-CE1 3.83Å; F1022-F1029 HydrophobicContact CD2-CD1 4.01Å; F1022-F1029 AromaticContact CD2-CE1 3.8Å; F1022-F1029 HydrophobicContact CD2-CE1 3.8Å; F1022-F1029 HydrophobicContact CD2-CZ 4.2Å; F1022-F1029 HydrophobicContact CG-CE1 4.22Å
1023K94.6Very high93.8Very high63 Ų6344.6 Ų44.627%0.27423%0.233SC..EExtended strand (participates in β ladder)trans-99.491.4176.9-74.3-169.2178.1176.80109.8L1021 N1025 V1026 N1027 N1028 E1030L1021-K1023 HydrophobicContact CD2-CG 4.46Å; L1021-K1023 HydrophobicContact CG-CG 4.41Å; L1021-K1023 PolarHBondContact O-N 2.96Å; K1023-N1025 PolarHBondContact O-N 3.15Å; K1023-V1026 HydrophobicContact CB-CG2 4.43Å; K1023-V1026 CarbonylContact O-C 3.55Å; K1023-V1026 PolarHBondContact O-N 3.26Å; K1023-N1027 PolarHBondContact O-N 3.45Å; K1023-N1028 PolarHBondContact N-O 3.12Å; K1023-E1030 HydrophobicContact CD-CB 4.37Å; K1023-E1030 WeakPolarHBondContact CE-OE1 3.13Å; K1023-E1030 VanDerWaalsContact CE-OE2 3.31Å; K1023-E1030 WeakPolarHBondContact CE-OE2 3.24Å; K1023-E1030 IonicContact NZ-OE1 2.7Å; K1023-E1030 PolarHBondContact NZ-OE1 3.13Å; K1023-E1030 IonicContact NZ-OE2 3.29Å; K1023-E1030 PolarHBondContact NZ-OE2 2.87Å
1024S89.9Confident93.8Very high71 Ų7144.5 Ų44.550%0.49723%0.229SC..THydrogen-bonded Turntrans-52.9-28.3-177.2-63.90000114.8F1022F1022-S1024 WeakPolarHBondContact CD1-OG 3.34Å; F1022-S1024 WeakPolarHBondContact CE1-OG 3.3Å
1025N91Very high93.9Very high143 Ų14341.9 Ų41.977%0.76522%0.216SC*.THydrogen-bonded Turntrans-73-24.8175.264.5-40.2000114.3K1023K1023-N1025 PolarHBondContact O-N 3.15Å
1026V92.3Very high93.6Very high96 Ų9644.3 Ų44.358%0.58223%0.225SC*.THydrogen-bonded Turntrans-104.6-13.4175.1-165.60000111.1K1023 N1028K1023-V1026 HydrophobicContact CB-CG2 4.43Å; K1023-V1026 CarbonylContact O-C 3.55Å; K1023-V1026 PolarHBondContact O-N 3.26Å; V1026-N1028 VanDerWaalsContact C-N 3.28Å; V1026-N1028 HydrophobicContact CG1-CB 4.29Å; V1026-N1028 PolarHBondContact O-N 3.09Å
1027N91.8Very high93.4Very high51 Ų5146.7 Ų46.727%0.27324%0.236SC..THydrogen-bonded Turntrans52.644.5-173.1-166.980.9000111.8R967 A989 C990 K1023R967-N1027 PolarHBondContact NH1-OD1 3.13Å; A989-N1027 PolarHBondContact O-ND2 3.37Å; C990-N1027 WeakPolarHBondContact CB-O 3.28Å; K1023-N1027 PolarHBondContact O-N 3.45Å
1028N95.2Very high93.1Very high71 Ų7151.8 Ų51.838%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-144.9160.1-178.6-164.419.9000111.6C990 K1023 V1026C990-N1028 HydrophobicContact CB-CB 4.46Å; C990-N1028 WeakPolarHBondContact CB-OD1 3.47Å; K1023-N1028 PolarHBondContact N-O 3.12Å; V1026-N1028 VanDerWaalsContact C-N 3.28Å; V1026-N1028 HydrophobicContact CG1-CB 4.29Å; V1026-N1028 PolarHBondContact O-N 3.09Å
1029F94.4Very high92.8Very high13 Ų1352 Ų526%0.05727%0.27CS..EExtended strand (participates in β ladder)trans-84.7139171.6-67.2-64.9000111.6L969 V976 L978 C990 F992 V1008 L1020 F1022L969-F1029 HydrophobicContact CD1-CE2 4.09Å; L969-F1029 HydrophobicContact CD1-CZ 3.62Å; V976-F1029 HydrophobicContact CG1-CE2 4.43Å; L978-F1029 HydrophobicContact CB-CE2 3.91Å; L978-F1029 HydrophobicContact CB-CZ 4.01Å; L978-F1029 HydrophobicContact CD2-CZ 4.4Å; C990-F1029 VanDerWaalsContact SG-CD2 3.55Å; C990-F1029 WeakPolarHBondContact SG-CE2 3.5Å; F992-F1029 HydrophobicContact CB-CB 4.37Å; F992-F1029 HydrophobicContact CB-CD2 4.38Å; V1008-F1029 HydrophobicContact CG2-CE1 3.94Å; L1020-F1029 HydrophobicContact CB-CB 4.45Å; L1020-F1029 HydrophobicContact CB-CD1 4.16Å; L1020-F1029 HydrophobicContact CD1-CB 4.23Å; L1020-F1029 HydrophobicContact CD1-CD1 4.31Å; L1020-F1029 HydrophobicContact CD1-CG 4.13Å; F1022-F1029 HydrophobicContact CB-CD1 4.01Å; F1022-F1029 HydrophobicContact CB-CE1 3.83Å; F1022-F1029 HydrophobicContact CD2-CD1 4.01Å; F1022-F1029 AromaticContact CD2-CE1 3.8Å; F1022-F1029 HydrophobicContact CD2-CE1 3.8Å; F1022-F1029 HydrophobicContact CD2-CZ 4.2Å; F1022-F1029 HydrophobicContact CG-CE1 4.22Å
1030E93.7Very high92.7Very high91 Ų9158 Ų5843%0.42529%0.292SS..EExtended strand (participates in β ladder)trans-115.8127.7167.2-174.5170.6110.800109L1020 L1021 K1023 I1032L1020-E1030 CarbonylContact C-O 3.54Å; L1020-E1030 WeakPolarHBondContact CA-O 3.4Å; L1021-E1030 PolarHBondContact N-O 2.99Å; L1021-E1030 PolarHBondContact O-N 3.13Å; K1023-E1030 HydrophobicContact CD-CB 4.37Å; K1023-E1030 WeakPolarHBondContact CE-OE1 3.13Å; K1023-E1030 VanDerWaalsContact CE-OE2 3.31Å; K1023-E1030 WeakPolarHBondContact CE-OE2 3.24Å; K1023-E1030 IonicContact NZ-OE1 2.7Å; K1023-E1030 PolarHBondContact NZ-OE1 3.13Å; K1023-E1030 IonicContact NZ-OE2 3.29Å; K1023-E1030 PolarHBondContact NZ-OE2 2.87Å; E1030-I1032 HydrophobicContact CG-CG2 4.34Å; E1030-I1032 PolarHBondContact O-N 3.44Å
1031A93.6Very high92.7Very high22 Ų2258.3 Ų58.318%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-81.8103.617800000109.5F992 T1018 L1020 M1173F992-A1031 HydrophobicContact CE2-CB 3.74Å; F992-A1031 HydrophobicContact CZ-CB 3.86Å; T1018-A1031 HydrophobicContact CG2-CB 4.32Å; L1020-A1031 HydrophobicContact CD2-CB 3.59Å; A1031-M1173 HydrophobicContact CB-CE 3.39Å; A1031-M1173 HydrophobicContact CB-SD 4.48Å
1032I92.9Very high92.7Very high28 Ų2856.9 Ų56.914%0.14429%0.287CS..EExtended strand (participates in β ladder)trans-92.7-21.3-173.657.2160.5000113.1F1007 L1019 L1021 E1030 Q1174F1007-I1032 HydrophobicContact CD1-CD1 3.84Å; F1007-I1032 HydrophobicContact CE1-CD1 3.55Å; L1019-I1032 HydrophobicContact CB-CG1 4.32Å; L1019-I1032 HydrophobicContact CD2-CD1 3.56Å; L1019-I1032 HydrophobicContact CD2-CG1 3.86Å; L1019-I1032 HydrophobicContact CG-CD1 3.87Å; L1019-I1032 HydrophobicContact CG-CG1 3.82Å; L1019-I1032 WeakPolarHBondContact O-CG1 3.42Å; L1019-I1032 PolarHBondContact O-N 3.01Å; L1021-I1032 HydrophobicContact CB-CD1 4.09Å; L1021-I1032 HydrophobicContact CB-CG1 4.27Å; L1021-I1032 HydrophobicContact CB-CG2 3.83Å; L1021-I1032 HydrophobicContact CD2-CG2 4.39Å; E1030-I1032 HydrophobicContact CG-CG2 4.34Å; E1030-I1032 PolarHBondContact O-N 3.44Å; I1032-Q1174 WeakPolarHBondContact O-CB 3.2Å; I1032-Q1174 PolarHBondContact O-N 3.4Å
1033G92.7Very high92.8Very high2 Ų256.8 Ų56.82%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-145.8142.2-179.300000112.5L1019 Q1174L1019-G1033 PolarHBondContact N-O 3.27Å; L1019-G1033 PolarHBondContact O-N 2.74Å; G1033-Q1174 WeakPolarHBondContact CA-O 3.33Å
1034R94.2Very high92.9Very high44 Ų4454 Ų5417%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-137.1133.2169-109.4178.5-170.2141.4-5.6112.8E994 T1018 M1173 Q1174 L1176E994-R1034 PolarHBondContact O-NH2 2.59Å; E994-R1034 IonicContact OE2-CZ 3Å; E994-R1034 VanDerWaalsContact OE2-CZ 3.22Å; E994-R1034 IonicContact OE2-NH1 3.66Å; E994-R1034 PolarHBondContact OE2-NH1 2.66Å; E994-R1034 IonicContact OE2-NH2 2.71Å; E994-R1034 PolarHBondContact OE2-NH2 2.81Å; T1018-R1034 HydrophobicContact CG2-CG 4.08Å; T1018-R1034 VanDerWaalsContact OG1-CG 3.27Å; T1018-R1034 WeakPolarHBondContact OG1-CG 3.42Å; T1018-R1034 PolarHBondContact OG1-NE 3.33Å; R1034-M1173 HydrophobicContact CB-CE 3.7Å; R1034-M1173 HydrophobicContact CB-SD 4.33Å; R1034-M1173 HydrophobicContact CG-CE 3.46Å; R1034-M1173 VanDerWaalsContact CG-CE 3.46Å; R1034-M1173 HydrophobicContact CG-SD 4.38Å; R1034-Q1174 PolarHBondContact N-O 3.48Å; R1034-L1176 PolarHBondContact O-N 2.81Å
1035H94.1Very high93.2Very high7 Ų751.6 Ų51.63%0.03226%0.257CS..EExtended strand (participates in β ladder)trans-77.4135163-166.9-150.7000109.1S1016 L1017 H1037 F1062 L1176 D1178S1016-H1035 PolarHBondContact OG-ND1 2.68Å; L1017-H1035 HydrophobicContact CB-CB 4.26Å; L1017-H1035 PolarHBondContact O-N 2.83Å; H1035-H1037 AromaticContact NE2-CD2 3.37Å; H1035-H1037 PolarHBondContact NE2-CD2 2.95Å; H1035-H1037 AromaticContact NE2-CG 3.83Å; H1035-F1062 AromaticContact ND1-CE2 3.96Å; H1035-L1176 HydrophobicContact CB-CB 4.29Å; H1035-D1178 IonicContact CE1-OD1 3.6Å; H1035-D1178 PolarHBondContact CE1-OD1 2.87Å; H1035-D1178 IonicContact NE2-OD1 2.71Å; H1035-D1178 PolarHBondContact NE2-OD1 3.22Å; H1035-D1178 IonicContact NE2-OD2 3.4Å
1036R87.1Confident93.4Very high177 Ų17745.4 Ų45.467%0.66822%0.223SC*.  trans-105.9-6.4-172.9-68-168.8-177.3-176.43.6114.4
1037H89Confident93.3Very high51 Ų5141.6 Ų41.624%0.23620%0.2CC..SBendtrans-82.9132.9173.2-64.6-101.4000108.6S1016 H1035 R1039 R1175S1016-H1037 WeakPolarHBondContact CB-O 3.42Å; H1035-H1037 AromaticContact NE2-CD2 3.37Å; H1035-H1037 PolarHBondContact NE2-CD2 2.95Å; H1035-H1037 AromaticContact NE2-CG 3.83Å; H1037-R1039 PolarHBondContact O-N 2.82Å; H1037-R1175 PolarHBondContact NE2-NH2 2.85Å
1038P89.5Confident93.1Very high106 Ų10641 Ų4169%0.68820%0.196SC*.  trans-65.2128.6171.728.6-32.7000108.6M1014M1014-P1038 CarbonylContact O-C 3.57Å; M1014-P1038 WeakPolarHBondContact O-CA 3.49Å
1039R90.8Very high92.8Very high8 Ų841.4 Ų41.43%0.0320%0.198CC..BIsolated β-bridgetrans-143.3129.4-178.1-58.5-74.1166.2179.8-7.5108M1014 S1016 H1037 T1041 E1056 F1062 F1261 E1266M1014-R1039 CarbonylContact C-O 3.57Å; M1014-R1039 VanDerWaalsContact CA-O 3.27Å; M1014-R1039 WeakPolarHBondContact CA-O 3.2Å; M1014-R1039 PolarHBondContact O-N 2.89Å; S1016-R1039 PolarHBondContact N-O 2.8Å; S1016-R1039 WeakPolarHBondContact OG-CG 3.21Å; H1037-R1039 PolarHBondContact O-N 2.82Å; R1039-T1041 PolarHBondContact O-N 2.93Å; R1039-T1041 VanDerWaalsContact O-N 3.16Å; R1039-E1056 WeakPolarHBondContact CD-OE2 3.05Å; R1039-E1056 IonicContact CZ-OE2 2.68Å; R1039-E1056 IonicContact NE-OE2 2.74Å; R1039-E1056 IonicContact NH1-OE1 3.72Å; R1039-E1056 PolarHBondContact NH1-OE1 2.89Å; R1039-E1056 IonicContact NH1-OE2 3.75Å; R1039-E1056 PolarHBondContact NH1-OE2 2.81Å; R1039-F1062 HydrophobicContact CB-CZ 4.17Å; R1039-F1062 HydrophobicContact CG-CE1 4.49Å; R1039-F1062 HydrophobicContact CG-CE2 4.45Å; R1039-F1062 HydrophobicContact CG-CZ 4.03Å; R1039-F1261 VanDerWaalsContact NH2-CZ 3.32Å; R1039-E1266 IonicContact NH2-OE2 3.46Å
1040W93.8Very high92.4Very high126 Ų12643.9 Ų43.948%0.47721%0.21SC..  trans-85.486176.2-67.885.8000109L1013 M1014 E1056 V1057L1013-W1040 HydrophobicContact CD1-CE3 3.78Å; L1013-W1040 HydrophobicContact CD1-CZ3 3.82Å; L1013-W1040 HydrophobicContact CD2-CZ3 4.26Å; L1013-W1040 HydrophobicContact CG-CE3 4Å; L1013-W1040 HydrophobicContact CG-CZ3 3.83Å; L1013-W1040 VanDerWaalsContact O-CA 3.27Å; L1013-W1040 WeakPolarHBondContact O-CA 3.41Å; L1013-W1040 VanDerWaalsContact O-CE3 3.27Å; M1014-W1040 HydrophobicContact CB-CD2 4.11Å; M1014-W1040 HydrophobicContact CB-CE3 4.28Å; M1014-W1040 HydrophobicContact CB-CZ2 4.3Å; M1014-W1040 HydrophobicContact CB-CZ3 4.48Å; M1014-W1040 HydrophobicContact CE-CH2 3.7Å; M1014-W1040 HydrophobicContact CE-CZ2 4.16Å; M1014-W1040 HydrophobicContact CE-CZ3 4.18Å; W1040-E1056 WeakPolarHBondContact O-CA 3.4Å; W1040-E1056 VanDerWaalsContact O-CB 3.27Å; W1040-E1056 WeakPolarHBondContact O-CB 2.91Å; W1040-V1057 HydrophobicContact CB-CB 4.38Å; W1040-V1057 HydrophobicContact CB-CG1 3.8Å; W1040-V1057 HydrophobicContact CB-CG2 3.7Å; W1040-V1057 HydrophobicContact CG-CG2 4.36Å; W1040-V1057 PolarHBondContact O-N 3.24Å; W1040-V1057 VanDerWaalsContact O-N 3.13Å
1041T94.8Very high92.3Very high7 Ų739.8 Ų39.84%0.04319%0.191CC..EExtended strand (participates in β ladder)trans-65136-171.3-400000111.1F1000 D1012 L1017 R1039 I1044 A1054 A1055F1000-T1041 HydrophobicContact CD2-CG2 4.11Å; F1000-T1041 HydrophobicContact CE2-CG2 4.38Å; F1000-T1041 VanDerWaalsContact CE2-O 3.27Å; F1000-T1041 WeakPolarHBondContact CE2-O 3.48Å; D1012-T1041 WeakPolarHBondContact O-CB 3.2Å; D1012-T1041 PolarHBondContact O-OG1 2.76Å; L1017-T1041 HydrophobicContact CD2-CG2 4.38Å; R1039-T1041 PolarHBondContact O-N 2.93Å; R1039-T1041 VanDerWaalsContact O-N 3.16Å; T1041-I1044 HydrophobicContact CG2-CG2 3.45Å; T1041-I1044 VanDerWaalsContact CG2-CG2 3.45Å; T1041-A1054 HydrophobicContact CG2-CB 4.41Å; T1041-A1055 WeakPolarHBondContact CA-O 3.32Å
1042T96.4Very high92.4Very high11 Ų1138.8 Ų38.87%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-113.2-28176.362.20000113.3F1000 A1055 V1057 F1187 V1188F1000-T1042 WeakPolarHBondContact CE1-O 3.2Å; F1000-T1042 VanDerWaalsContact CZ-C 3.4Å; F1000-T1042 WeakPolarHBondContact CZ-O 3.45Å; T1042-A1055 PolarHBondContact N-O 3.27Å; T1042-A1055 WeakPolarHBondContact OG1-CB 3.27Å; T1042-A1055 PolarHBondContact OG1-O 3.08Å; T1042-V1057 HydrophobicContact CG2-CB 4.43Å; T1042-V1057 HydrophobicContact CG2-CG1 3.71Å; T1042-F1187 HydrophobicContact CG2-CD1 4.47Å; T1042-F1187 HydrophobicContact CG2-CE1 3.68Å; T1042-F1187 HydrophobicContact CG2-CE2 3.85Å; T1042-F1187 HydrophobicContact CG2-CZ 3.33Å; T1042-V1188 VanDerWaalsContact CB-O 3.24Å; T1042-V1188 WeakPolarHBondContact CB-O 3.34Å; T1042-V1188 PolarHBondContact OG1-O 3.34Å
1043C96.8Very high92.5Very high4 Ų437.5 Ų37.53%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-161.9163.3167.557.10000111.1A1054 A1055 V1188 N1189 F1191C1043-A1054 VanDerWaalsContact O-CA 3.31Å; C1043-A1054 WeakPolarHBondContact O-CA 3.44Å; C1043-A1055 PolarHBondContact O-N 2.74Å; C1043-V1188 VanDerWaalsContact SG-CG1 3.55Å; C1043-N1189 WeakPolarHBondContact CB-O 3.39Å; C1043-F1191 HydrophobicContact CB-CD2 4.01Å; C1043-F1191 HydrophobicContact CB-CE2 4.14Å; C1043-F1191 VanDerWaalsContact SG-CD2 3.54Å; C1043-F1191 WeakPolarHBondContact SG-CE2 3.19Å
1044I97.4Very high92.7Very high6 Ų637.4 Ų37.43%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-139.5151.2-177.273.3-178000111.3F1000 R1002 L1009 L1017 T1041 L1053 A1054F1000-I1044 HydrophobicContact CB-CD1 3.68Å; F1000-I1044 HydrophobicContact CB-CG1 3.82Å; F1000-I1044 HydrophobicContact CB-CG2 4.21Å; R1002-I1044 HydrophobicContact CB-CD1 4.47Å; R1002-I1044 HydrophobicContact CB-CG1 4.44Å; R1002-I1044 HydrophobicContact CG-CD1 4.33Å; R1002-I1044 HydrophobicContact CG-CG1 3.85Å; L1009-I1044 HydrophobicContact CB-CD1 4.35Å; L1009-I1044 HydrophobicContact CD2-CB 4.02Å; L1009-I1044 HydrophobicContact CD2-CD1 4.06Å; L1009-I1044 HydrophobicContact CD2-CG1 4.19Å; L1009-I1044 HydrophobicContact CG-CD1 4.03Å; L1009-I1044 WeakPolarHBondContact O-CD1 3.48Å; L1017-I1044 HydrophobicContact CD2-CB 4.32Å; L1017-I1044 HydrophobicContact CD2-CG2 3.48Å; L1017-I1044 VanDerWaalsContact CD2-CG2 3.48Å; T1041-I1044 HydrophobicContact CG2-CG2 3.45Å; T1041-I1044 VanDerWaalsContact CG2-CG2 3.45Å; I1044-L1053 CarbonylContact C-O 3.55Å; I1044-L1053 WeakPolarHBondContact CA-O 3.27Å; I1044-A1054 HydrophobicContact CG2-CB 4.23Å
1045E96.1Very high92.9Very high20 Ų2035.3 Ų35.39%0.09317%0.167CC..EExtended strand (participates in β ladder)trans-146.1150170.3-161.553-90.100113.1R1002 L1053 F1191R1002-E1045 WeakPolarHBondContact CD-OE1 3.23Å; R1002-E1045 IonicContact CZ-OE2 2.67Å; R1002-E1045 VanDerWaalsContact NE-CD 3.31Å; R1002-E1045 IonicContact NE-OE1 2.79Å; R1002-E1045 PolarHBondContact NE-OE1 2.67Å; R1002-E1045 VanDerWaalsContact NE-OE1 3.14Å; R1002-E1045 IonicContact NE-OE2 3.22Å; R1002-E1045 PolarHBondContact NE-OE2 2.74Å; R1002-E1045 IonicContact NH2-OE2 2.66Å; R1002-E1045 PolarHBondContact NH2-OE2 2.83Å; E1045-L1053 HydrophobicContact CB-CB 4.34Å; E1045-L1053 HydrophobicContact CB-CD2 4.46Å; E1045-L1053 PolarHBondContact N-O 3.06Å; E1045-L1053 PolarHBondContact O-N 3.05Å; E1045-F1191 HydrophobicContact CB-CB 3.91Å; E1045-F1191 HydrophobicContact CB-CD2 3.87Å; E1045-F1191 HydrophobicContact CB-CG 4.02Å; E1045-F1191 HydrophobicContact CG-CB 4.23Å
1046I94.5Very high92.9Very high12 Ų1235.3 Ų35.36%0.06217%0.167CC..EExtended strand (participates in β ladder)trans-96.9110.2173.9-58.7173.7000108.5R1002 K1004 L1009 D1048 F1052R1002-I1046 HydrophobicContact CB-CD1 3.92Å; R1002-I1046 HydrophobicContact CB-CG1 3.95Å; K1004-I1046 HydrophobicContact CB-CD1 3.96Å; K1004-I1046 HydrophobicContact CB-CG2 3.94Å; K1004-I1046 HydrophobicContact CD-CG2 3.76Å; K1004-I1046 HydrophobicContact CG-CG2 4.47Å; L1009-I1046 HydrophobicContact CB-CD1 3.85Å; L1009-I1046 HydrophobicContact CB-CG1 3.77Å; L1009-I1046 HydrophobicContact CD2-CG1 3.95Å; L1009-I1046 HydrophobicContact CG-CG1 4.49Å; I1046-D1048 WeakPolarHBondContact CG2-O 3.43Å; I1046-F1052 HydrophobicContact CG1-CD1 4.28Å; I1046-F1052 HydrophobicContact CG2-CD1 4.19Å; I1046-F1052 HydrophobicContact CG2-CE1 4.17Å
1047L91.6Very high93.1Very high17 Ų1729.8 Ų29.89%0.08915%0.153CC..  trans-76.2-54.8179.2-56.3175.6000110.3F4 H1051 L1053 V1063F4-L1047 HydrophobicContact CE1-CD1 3.75Å; F4-L1047 HydrophobicContact CZ-CD1 3.52Å; L1047-H1051 HydrophobicContact CB-CB 4.48Å; L1047-H1051 WeakPolarHBondContact CB-O 3.31Å; L1047-H1051 HydrophobicContact CD1-CB 4.25Å; L1047-H1051 PolarHBondContact N-O 3.39Å; L1047-L1053 HydrophobicContact CD1-CB 4.12Å; L1047-L1053 HydrophobicContact CD2-CB 3.94Å; L1047-L1053 HydrophobicContact CD2-CD2 4.19Å; L1047-L1053 HydrophobicContact CG-CB 3.95Å; L1047-V1063 HydrophobicContact CD1-CG1 3.83Å; L1047-V1063 HydrophobicContact CD1-CG2 4.17Å
1048D87.6Confident93.1Very high37 Ų3730.6 Ų30.620%0.19816%0.157CC..SBendtrans-144-155.9176.163.640.9000111.5K1004 I1046 E1050 H1051K1004-D1048 VanDerWaalsContact NZ-C 3.32Å; I1046-D1048 WeakPolarHBondContact CG2-O 3.43Å; D1048-E1050 WeakPolarHBondContact OD1-CA 3.46Å; D1048-E1050 PolarHBondContact OD1-N 2.89Å; D1048-H1051 PolarHBondContact N-O 3.1Å; D1048-H1051 IonicContact OD1-CE1 3.47Å; D1048-H1051 IonicContact OD1-CG 3.18Å; D1048-H1051 PolarHBondContact OD1-N 3.08Å; D1048-H1051 IonicContact OD1-ND1 2.74Å; D1048-H1051 PolarHBondContact OD1-ND1 2.9Å; D1048-H1051 IonicContact OD2-CE1 2.78Å; D1048-H1051 IonicContact OD2-CG 2.74Å; D1048-H1051 IonicContact OD2-ND1 2.72Å; D1048-H1051 PolarHBondContact OD2-ND1 3.35Å
1049D87.1Confident93.3Very high80 Ų8025.8 Ų25.843%0.42813%0.125SC..SBendtrans-84.7-9.4-178.4-61.4-40.3000113.8K1004 R1066K1004-D1049 WeakPolarHBondContact CD-OD1 2.89Å; K1004-D1049 VanDerWaalsContact CE-OD1 3.23Å; K1004-D1049 WeakPolarHBondContact CE-OD1 3.27Å; K1004-D1049 IonicContact NZ-OD1 3.57Å; K1004-D1049 PolarHBondContact NZ-OD1 2.97Å; K1004-D1049 IonicContact NZ-OD2 2.77Å; K1004-D1049 PolarHBondContact NZ-OD2 3.45Å; D1049-R1066 PolarHBondContact O-NH2 3.27Å
1050E87.4Confident93.5Very high65 Ų6525.4 Ų25.430%0.30412%0.124SC..SBendtrans-119.6-28.2-178.9-62.9-154.1157.800114.4D1048 F1052 S1065 N1071D1048-E1050 WeakPolarHBondContact OD1-CA 3.46Å; D1048-E1050 PolarHBondContact OD1-N 2.89Å; E1050-F1052 WeakPolarHBondContact O-CE2 3.08Å; E1050-S1065 WeakPolarHBondContact O-CA 3.37Å; E1050-S1065 WeakPolarHBondContact O-CB 3.28Å; E1050-N1071 PolarHBondContact OE2-ND2 3.21Å
1051H91.3Very high93.6Very high6 Ų619.4 Ų19.43%0.02810%0.101CC..EExtended strand (participates in β ladder)trans-114.7131.5-172.8-45.291.1000112.2M1 A2 L1047 D1048 V1063 N1071M1-H1051 PolarHBondContact N-CE1 2.95Å; M1-H1051 PolarHBondContact N-NE2 3.26Å; A2-H1051 WeakPolarHBondContact CB-CD2 3.36Å; L1047-H1051 HydrophobicContact CB-CB 4.48Å; L1047-H1051 WeakPolarHBondContact CB-O 3.31Å; L1047-H1051 HydrophobicContact CD1-CB 4.25Å; L1047-H1051 PolarHBondContact N-O 3.39Å; D1048-H1051 PolarHBondContact N-O 3.1Å; D1048-H1051 IonicContact OD1-CE1 3.47Å; D1048-H1051 IonicContact OD1-CG 3.18Å; D1048-H1051 PolarHBondContact OD1-N 3.08Å; D1048-H1051 IonicContact OD1-ND1 2.74Å; D1048-H1051 PolarHBondContact OD1-ND1 2.9Å; D1048-H1051 IonicContact OD2-CE1 2.78Å; D1048-H1051 IonicContact OD2-CG 2.74Å; D1048-H1051 IonicContact OD2-ND1 2.72Å; D1048-H1051 PolarHBondContact OD2-ND1 3.35Å; H1051-V1063 HydrophobicContact CB-CG1 3.89Å; H1051-N1071 PolarHBondContact NE2-OD1 2.88Å
1052F95Very high93.6Very high1 Ų119.1 Ų19.10%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-129120.2-173.3-47.5-74.2000109.9L1009 L1019 I1046 E1050 V1063 V1064 L1176L1009-F1052 HydrophobicContact CD1-CB 3.96Å; L1009-F1052 HydrophobicContact CD1-CD1 3.96Å; L1009-F1052 HydrophobicContact CD1-CG 3.91Å; L1009-F1052 HydrophobicContact CD2-CB 3.91Å; L1009-F1052 HydrophobicContact CD2-CD1 4.25Å; L1009-F1052 HydrophobicContact CD2-CG 4.43Å; L1019-F1052 HydrophobicContact CD1-CD1 4.38Å; L1019-F1052 HydrophobicContact CD1-CE1 3.74Å; L1019-F1052 HydrophobicContact CD1-CZ 3.83Å; L1019-F1052 HydrophobicContact CD2-CE1 4.26Å; L1019-F1052 HydrophobicContact CD2-CE2 3.76Å; L1019-F1052 HydrophobicContact CD2-CZ 3.46Å; L1019-F1052 VanDerWaalsContact CD2-CZ 3.46Å; L1019-F1052 HydrophobicContact CG-CZ 4.26Å; I1046-F1052 HydrophobicContact CG1-CD1 4.28Å; I1046-F1052 HydrophobicContact CG2-CD1 4.19Å; I1046-F1052 HydrophobicContact CG2-CE1 4.17Å; E1050-F1052 WeakPolarHBondContact O-CE2 3.08Å; F1052-V1063 CarbonylContact O-C 3.59Å; F1052-V1063 VanDerWaalsContact O-CA 3.29Å; F1052-V1063 WeakPolarHBondContact O-CA 3.49Å; F1052-V1064 HydrophobicContact CB-CG2 4.03Å; F1052-V1064 HydrophobicContact CD2-CG2 4.18Å; F1052-V1064 WeakPolarHBondContact CD2-O 3.42Å; F1052-V1064 PolarHBondContact N-O 2.87Å; F1052-V1064 PolarHBondContact O-N 3.33Å; F1052-L1176 HydrophobicContact CD2-CD2 4.42Å; F1052-L1176 HydrophobicContact CE2-CD2 4.22Å
1053L96.1Very high93.6Very high0 Ų018.6 Ų18.60%010%0.096CC..EExtended strand (participates in β ladder)trans-87.8143-179.117867.1000110.5I1044 E1045 L1047 L1061 V1063 F1191 L1225I1044-L1053 CarbonylContact C-O 3.55Å; I1044-L1053 WeakPolarHBondContact CA-O 3.27Å; E1045-L1053 HydrophobicContact CB-CB 4.34Å; E1045-L1053 HydrophobicContact CB-CD2 4.46Å; E1045-L1053 PolarHBondContact N-O 3.06Å; E1045-L1053 PolarHBondContact O-N 3.05Å; L1047-L1053 HydrophobicContact CD1-CB 4.12Å; L1047-L1053 HydrophobicContact CD2-CB 3.94Å; L1047-L1053 HydrophobicContact CD2-CD2 4.19Å; L1047-L1053 HydrophobicContact CG-CB 3.95Å; L1053-L1061 HydrophobicContact CD1-CD2 4.36Å; L1053-V1063 HydrophobicContact CB-CG2 4.48Å; L1053-V1063 HydrophobicContact CD1-CG2 3.68Å; L1053-F1191 HydrophobicContact CD1-CZ 4.34Å; L1053-F1191 HydrophobicContact CD2-CD1 3.78Å; L1053-F1191 HydrophobicContact CD2-CD2 4.35Å; L1053-F1191 HydrophobicContact CD2-CE1 3.43Å; L1053-F1191 VanDerWaalsContact CD2-CE1 3.43Å; L1053-F1191 HydrophobicContact CD2-CE2 4Å; L1053-F1191 HydrophobicContact CD2-CG 4.26Å; L1053-F1191 HydrophobicContact CD2-CZ 3.56Å; L1053-F1191 HydrophobicContact CG-CE1 4.07Å; L1053-F1191 HydrophobicContact CG-CE2 3.92Å; L1053-F1191 HydrophobicContact CG-CZ 3.64Å; L1053-L1225 HydrophobicContact CD1-CD2 3.78Å; L1053-L1225 HydrophobicContact CD2-CD2 3.68Å; L1053-L1225 HydrophobicContact CG-CD2 4.34Å
1054A97Very high93.5Very high0 Ų018.4 Ų18.40%010%0.095CC..EExtended strand (participates in β ladder)trans-148.3161.2167.900000112.2L1017 T1041 C1043 I1044 F1062L1017-A1054 HydrophobicContact CD1-CB 3.9Å; L1017-A1054 HydrophobicContact CD2-CB 4.09Å; L1017-A1054 HydrophobicContact CG-CB 4.35Å; T1041-A1054 HydrophobicContact CG2-CB 4.41Å; C1043-A1054 VanDerWaalsContact O-CA 3.31Å; C1043-A1054 WeakPolarHBondContact O-CA 3.44Å; I1044-A1054 HydrophobicContact CG2-CB 4.23Å; A1054-F1062 HydrophobicContact CB-CD1 4.41Å; A1054-F1062 HydrophobicContact CB-CE1 3.77Å; A1054-F1062 HydrophobicContact CB-CE2 3.98Å; A1054-F1062 HydrophobicContact CB-CZ 3.51Å; A1054-F1062 PolarHBondContact N-O 3.37Å; A1054-F1062 PolarHBondContact O-N 2.92Å
1055A96.9Very high93.2Very high0 Ų018.1 Ų18.10%09%0.093CC..EExtended strand (participates in β ladder)trans-118.9159.6168.500000110.7T1041 T1042 C1043 N1060 L1061 V1188 F1191T1041-A1055 WeakPolarHBondContact CA-O 3.32Å; T1042-A1055 PolarHBondContact N-O 3.27Å; T1042-A1055 WeakPolarHBondContact OG1-CB 3.27Å; T1042-A1055 PolarHBondContact OG1-O 3.08Å; C1043-A1055 PolarHBondContact O-N 2.74Å; A1055-N1060 WeakPolarHBondContact CA-O 3.48Å; A1055-L1061 HydrophobicContact CB-CD2 3.88Å; A1055-V1188 HydrophobicContact CB-CB 3.73Å; A1055-V1188 HydrophobicContact CB-CG1 4.35Å; A1055-V1188 HydrophobicContact CB-CG2 4.2Å; A1055-F1191 HydrophobicContact CB-CE2 4.49Å; A1055-F1191 HydrophobicContact CB-CZ 4.2Å
1056E93.9Very high92.6Very high7 Ų719.9 Ų19.93%0.03310%0.099CC..EExtended strand (participates in β ladder)trans-136.7165.3175.864.8174.5179.700113.6R1039 W1040 E1058 N1059 N1060 F1062R1039-E1056 WeakPolarHBondContact CD-OE2 3.05Å; R1039-E1056 IonicContact CZ-OE2 2.68Å; R1039-E1056 IonicContact NE-OE2 2.74Å; R1039-E1056 IonicContact NH1-OE1 3.72Å; R1039-E1056 PolarHBondContact NH1-OE1 2.89Å; R1039-E1056 IonicContact NH1-OE2 3.75Å; R1039-E1056 PolarHBondContact NH1-OE2 2.81Å; W1040-E1056 WeakPolarHBondContact O-CA 3.4Å; W1040-E1056 VanDerWaalsContact O-CB 3.27Å; W1040-E1056 WeakPolarHBondContact O-CB 2.91Å; E1056-E1058 HydrophobicContact CG-CB 4.35Å; E1056-E1058 PolarHBondContact O-N 3.13Å; E1056-E1058 VanDerWaalsContact O-N 3.09Å; E1056-N1059 PolarHBondContact O-N 2.9Å; E1056-N1060 HydrophobicContact CG-CB 3.9Å; E1056-N1060 PolarHBondContact N-O 3.12Å; E1056-N1060 VanDerWaalsContact N-O 3.12Å; E1056-N1060 WeakPolarHBondContact OE1-CB 3.24Å; E1056-N1060 PolarHBondContact OE1-ND2 2.87Å; E1056-F1062 HydrophobicContact CB-CE1 4.34Å
1057V92.1Very high92.1Very high61 Ų6123.9 Ų23.937%0.3712%0.121SC..THydrogen-bonded Turntrans-56.9-25.7-176.1-57.10000114.8W1040 T1042 N1059 F1187W1040-V1057 HydrophobicContact CB-CB 4.38Å; W1040-V1057 HydrophobicContact CB-CG1 3.8Å; W1040-V1057 HydrophobicContact CB-CG2 3.7Å; W1040-V1057 HydrophobicContact CG-CG2 4.36Å; W1040-V1057 PolarHBondContact O-N 3.24Å; W1040-V1057 VanDerWaalsContact O-N 3.13Å; T1042-V1057 HydrophobicContact CG2-CB 4.43Å; T1042-V1057 HydrophobicContact CG2-CG1 3.71Å; V1057-N1059 PolarHBondContact O-N 2.97Å; V1057-N1059 VanDerWaalsContact O-N 3.13Å; V1057-F1187 HydrophobicContact CB-CE2 3.95Å; V1057-F1187 HydrophobicContact CG1-CE2 3.91Å; V1057-F1187 HydrophobicContact CG1-CZ 4.25Å
1058E89.7Confident91.6Very high69 Ų6926.7 Ų26.732%0.32214%0.135SC..THydrogen-bonded Turntrans-74.59.2176.1-69.8-67.4169.700113.3E1056 N1060 H1183E1056-E1058 HydrophobicContact CG-CB 4.35Å; E1056-E1058 PolarHBondContact O-N 3.13Å; E1056-E1058 VanDerWaalsContact O-N 3.09Å; E1058-N1060 VanDerWaalsContact C-N 3.34Å; E1058-N1060 WeakPolarHBondContact CB-ND2 3.29Å; E1058-H1183 PolarHBondContact O-CE1 2.88Å; E1058-H1183 PolarHBondContact O-ND1 2.94Å
1059N93.8Very high90.9Very high5 Ų529.2 Ų29.23%0.02715%0.154CC..THydrogen-bonded Turntrans6438.4179.9-38.1-93.2000112E1056 V1057 H1183 T1184 G1185 D1186 F1187E1056-N1059 PolarHBondContact O-N 2.9Å; V1057-N1059 PolarHBondContact O-N 2.97Å; V1057-N1059 VanDerWaalsContact O-N 3.13Å; N1059-H1183 PolarHBondContact O-ND1 2.8Å; N1059-H1183 VanDerWaalsContact O-ND1 3.15Å; N1059-T1184 PolarHBondContact O-N 2.88Å; N1059-T1184 PolarHBondContact O-OG1 2.71Å; N1059-G1185 PolarHBondContact O-N 2.82Å; N1059-D1186 VanDerWaalsContact OD1-C 3.31Å; N1059-F1187 PolarHBondContact OD1-N 3.02Å
1060N94.5Very high90.4Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-111.4143.1175.6-59.5-51.7000111A1055 E1056 E1058 F1182 H1183 F1261 K1262A1055-N1060 WeakPolarHBondContact CA-O 3.48Å; E1056-N1060 HydrophobicContact CG-CB 3.9Å; E1056-N1060 PolarHBondContact N-O 3.12Å; E1056-N1060 VanDerWaalsContact N-O 3.12Å; E1056-N1060 WeakPolarHBondContact OE1-CB 3.24Å; E1056-N1060 PolarHBondContact OE1-ND2 2.87Å; E1058-N1060 VanDerWaalsContact C-N 3.34Å; E1058-N1060 WeakPolarHBondContact CB-ND2 3.29Å; N1060-F1182 CarbonylContact C-O 3.6Å; N1060-F1182 WeakPolarHBondContact CA-O 3.22Å; N1060-H1183 PolarHBondContact OD1-ND1 2.86Å; N1060-F1261 HydrophobicContact CB-CD2 3.56Å; N1060-F1261 HydrophobicContact CB-CE2 3.68Å; N1060-K1262 PolarHBondContact ND2-O 2.75Å
1061L95.5Very high89.9Confident0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-97.7141.9160.4-70.9175.1000109.5L1053 A1055 Y1181 F1182 T1184 V1188 F1191 Y1215 F1273L1053-L1061 HydrophobicContact CD1-CD2 4.36Å; A1055-L1061 HydrophobicContact CB-CD2 3.88Å; L1061-Y1181 WeakPolarHBondContact O-CA 3.25Å; L1061-F1182 PolarHBondContact N-O 2.9Å; L1061-F1182 PolarHBondContact O-N 3.43Å; L1061-T1184 HydrophobicContact CB-CG2 4.46Å; L1061-T1184 HydrophobicContact CD1-CG2 3.38Å; L1061-T1184 HydrophobicContact CG-CG2 3.53Å; L1061-V1188 HydrophobicContact CD2-CG2 4.38Å; L1061-F1191 HydrophobicContact CD2-CE1 3.94Å; L1061-F1191 HydrophobicContact CD2-CZ 3.57Å; L1061-Y1215 HydrophobicContact CD1-CE1 4.11Å; L1061-F1273 HydrophobicContact CB-CZ 4.3Å
1062F95.3Very high89.2Confident0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-145.3148.7170.664.4-77.6000110.9L1017 H1035 R1039 A1054 E1056 V1064 A1180 F1261L1017-F1062 HydrophobicContact CD1-CE2 4.18Å; H1035-F1062 AromaticContact ND1-CE2 3.96Å; R1039-F1062 HydrophobicContact CB-CZ 4.17Å; R1039-F1062 HydrophobicContact CG-CE1 4.49Å; R1039-F1062 HydrophobicContact CG-CE2 4.45Å; R1039-F1062 HydrophobicContact CG-CZ 4.03Å; A1054-F1062 HydrophobicContact CB-CD1 4.41Å; A1054-F1062 HydrophobicContact CB-CE1 3.77Å; A1054-F1062 HydrophobicContact CB-CE2 3.98Å; A1054-F1062 HydrophobicContact CB-CZ 3.51Å; A1054-F1062 PolarHBondContact N-O 3.37Å; A1054-F1062 PolarHBondContact O-N 2.92Å; E1056-F1062 HydrophobicContact CB-CE1 4.34Å; F1062-V1064 HydrophobicContact CD2-CG1 3.74Å; F1062-V1064 HydrophobicContact CE2-CG1 3.89Å; F1062-A1180 CarbonylContact C-O 3.6Å; F1062-A1180 WeakPolarHBondContact CA-O 3.45Å; F1062-F1261 HydrophobicContact CB-CE2 4.11Å
1063V95.5Very high88.5Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-116.6128.7173.1-173.30000107.4F4 L1047 H1051 F1052 L1053 C1179 A1180 F1273F4-V1063 HydrophobicContact CD2-CG2 4.23Å; F4-V1063 HydrophobicContact CE2-CB 4.06Å; F4-V1063 HydrophobicContact CE2-CG1 4.18Å; F4-V1063 HydrophobicContact CE2-CG2 3.57Å; F4-V1063 HydrophobicContact CZ-CG1 4.21Å; F4-V1063 HydrophobicContact CZ-CG2 4Å; L1047-V1063 HydrophobicContact CD1-CG1 3.83Å; L1047-V1063 HydrophobicContact CD1-CG2 4.17Å; H1051-V1063 HydrophobicContact CB-CG1 3.89Å; F1052-V1063 CarbonylContact O-C 3.59Å; F1052-V1063 VanDerWaalsContact O-CA 3.29Å; F1052-V1063 WeakPolarHBondContact O-CA 3.49Å; L1053-V1063 HydrophobicContact CB-CG2 4.48Å; L1053-V1063 HydrophobicContact CD1-CG2 3.68Å; V1063-C1179 VanDerWaalsContact C-SG 3.58Å; V1063-C1179 VanDerWaalsContact CG1-SG 3.6Å; V1063-C1179 PolarHBondContact O-N 3.07Å; V1063-C1179 PolarHBondContact O-SG 3.49Å; V1063-A1180 HydrophobicContact CB-CB 4.15Å; V1063-A1180 HydrophobicContact CG2-CB 4.34Å; V1063-A1180 PolarHBondContact N-O 3.14Å; V1063-A1180 PolarHBondContact O-N 2.86Å; V1063-F1273 HydrophobicContact CG2-CE2 4.47Å; V1063-F1273 HydrophobicContact CG2-CZ 4.5Å
1064V94.5Very high87.7Confident0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-106.2147.8172-53.40000110.5L1017 F1052 F1062 L1176 V1177L1017-V1064 HydrophobicContact CD1-CG1 4.39Å; L1017-V1064 HydrophobicContact CD1-CG2 3.61Å; F1052-V1064 HydrophobicContact CB-CG2 4.03Å; F1052-V1064 HydrophobicContact CD2-CG2 4.18Å; F1052-V1064 WeakPolarHBondContact CD2-O 3.42Å; F1052-V1064 PolarHBondContact N-O 2.87Å; F1052-V1064 PolarHBondContact O-N 3.33Å; F1062-V1064 HydrophobicContact CD2-CG1 3.74Å; F1062-V1064 HydrophobicContact CE2-CG1 3.89Å; V1064-L1176 HydrophobicContact CB-CB 4.24Å; V1064-L1176 HydrophobicContact CG2-CB 4.11Å; V1064-L1176 HydrophobicContact CG2-CD1 4.11Å; V1064-V1177 CarbonylContact C-O 3.59Å; V1064-V1177 WeakPolarHBondContact CA-O 3.42Å; V1064-V1177 WeakPolarHBondContact CB-O 3.3Å
1065S92Very high86.8Confident0 Ų041.6 Ų41.60%021%0.213CC..EExtended strand (participates in β ladder)trans-130.2172.2172.273.10000111.8E1050 N1071 L1176 V1177E1050-S1065 WeakPolarHBondContact O-CA 3.37Å; E1050-S1065 WeakPolarHBondContact O-CB 3.28Å; S1065-N1071 VanDerWaalsContact OG-CB 3.29Å; S1065-N1071 WeakPolarHBondContact OG-CB 3.23Å; S1065-L1176 CarbonylContact O-C 3.53Å; S1065-L1176 WeakPolarHBondContact O-CA 3.48Å; S1065-V1177 PolarHBondContact N-O 2.9Å; S1065-V1177 PolarHBondContact O-N 2.83Å
1066R84.3Confident85.7Confident58 Ų5847 Ų4722%0.21925%0.25CS..EExtended strand (participates in β ladder)trans-59.9149.1161.5-60.9-177.1-168.6152.810.2109.9D1049 L1068 L1176D1049-R1066 PolarHBondContact O-NH2 3.27Å; R1066-L1068 VanDerWaalsContact C-N 3.32Å; R1066-L1068 PolarHBondContact O-N 2.95Å; R1066-L1176 HydrophobicContact CG-CD2 4.21Å
1067D84.1Confident85Confident96 Ų9647.6 Ų47.651%0.51325%0.253SS..SBendtrans-70.681.5-176.1-161.1-4.3000111.9R1175 V1177D1067-R1175 PolarHBondContact N-O 3.37Å; D1067-V1177 HydrophobicContact CB-CG1 3.97Å; D1067-V1177 HydrophobicContact CB-CG2 4.37Å
1068L79.6Confident84.1Confident76 Ų7655.4 Ų55.440%0.39828%0.276SS..  trans-122.7131.2175.9-67.8176.4000109.3R1066 E1070 N1071R1066-L1068 VanDerWaalsContact C-N 3.32Å; R1066-L1068 PolarHBondContact O-N 2.95Å; L1068-E1070 PolarHBondContact O-N 2.91Å; L1068-N1071 PolarHBondContact O-N 3.26Å
1069P74.4Confident83.5Confident90 Ų9053.2 Ų53.258%0.58427%0.269SS*.THydrogen-bonded Turntrans-61.5-15.5-175.9-24.934000115.8
1070E75.1Confident82.7Confident116 Ų11653.2 Ų53.254%0.54227%0.27SS..THydrogen-bonded Turntrans-81.1-27.8178.6-68.7176.8-153.400112.3M1 L1068M1-E1070 HydrophobicContact CE-CB 3.84Å; M1-E1070 HydrophobicContact CE-CG 4.24Å; M1-E1070 WeakPolarHBondContact CG-O 3.31Å; L1068-E1070 PolarHBondContact O-N 2.91Å
1071N77.1Confident81.6Confident5 Ų556.6 Ų56.63%0.02729%0.287CS..THydrogen-bonded Turntrans-81.6-20.7-176.2-70.9-22.4000112.8M1 E1050 H1051 S1065 L1068 C1179M1-N1071 WeakPolarHBondContact CA-OD1 3.49Å; M1-N1071 PolarHBondContact N-OD1 3.18Å; E1050-N1071 PolarHBondContact OE2-ND2 3.21Å; H1051-N1071 PolarHBondContact NE2-OD1 2.88Å; S1065-N1071 VanDerWaalsContact OG-CB 3.29Å; S1065-N1071 WeakPolarHBondContact OG-CB 3.23Å; L1068-N1071 PolarHBondContact O-N 3.26Å; N1071-C1179 HydrophobicContact CB-CB 4.41Å; N1071-C1179 WeakPolarHBondContact O-CB 3.47Å
1072T77.7Confident80.1Confident52 Ų5258 Ų5832%0.31930%0.297SS..SBendtrans-98.1-5.9-176.153.10000115.1V1177 H1271T1072-V1177 HydrophobicContact CG2-CG2 3.97Å; T1072-H1271 PolarHBondContact O-NE2 2.86Å
1073K79.2Confident77.9Confident141 Ų14164.4 Ų64.461%0.61334%0.342SS*.PPolyproline II helixtrans-94.4139-179.9-71.1179.4-179.6-179.40112.1
1074E80Confident75.2Confident70 Ų7069.2 Ų69.233%0.32738%0.376SS..PPolyproline II helixtrans-78.9143.1161.5-79.7-177.8164.100110.3F1233 H1271 N1272E1074-F1233 HydrophobicContact CB-CE1 4.37Å; E1074-F1233 HydrophobicContact CG-CE1 3.92Å; E1074-F1233 HydrophobicContact CG-CZ 4.21Å; E1074-H1271 IonicContact OE1-ND1 3.2Å; E1074-N1272 VanDerWaalsContact CG-OD1 3.28Å; E1074-N1272 WeakPolarHBondContact CG-OD1 3.23Å; E1074-N1272 PolarHBondContact OE1-N 2.9Å
1075P77.6Confident72.3Confident28 Ų2872 Ų7218%0.18240%0.395CS..PPolyproline II helixtrans-78.7142.4175.634.9-35000110.1H3 F1077 P1230 F1233 A1234H3-P1075 WeakPolarHBondContact NE2-CD 3.47Å; H3-P1075 WeakPolarHBondContact NE2-CG 3.47Å; P1075-F1077 HydrophobicContact CB-CD2 4.5Å; P1075-F1077 HydrophobicContact CB-CE2 3.92Å; P1075-P1230 HydrophobicContact CB-CB 4Å; P1075-P1230 HydrophobicContact CG-CB 4.13Å; P1075-P1230 WeakPolarHBondContact CG-O 3.46Å; P1075-F1233 HydrophobicContact CG-CB 4.48Å; P1075-F1233 HydrophobicContact CG-CD1 3.7Å; P1075-F1233 HydrophobicContact CG-CE1 4.48Å; P1075-F1233 HydrophobicContact CG-CG 4.46Å; P1075-A1234 HydrophobicContact CG-CB 4.44Å
1076S75Confident69.3Low112 Ų11280.7 Ų80.778%0.78344%0.441SS*.  trans-135.7120.9173.348.70000110.1
1077F77.7Confident66.7Low20 Ų2082.8 Ų82.89%0.08847%0.465CS..  trans-114.2108-177.6-68.8-80.3000109.3P1075 A1079 L1080 P1230 V1231 A1234 C1313 D1316P1075-F1077 HydrophobicContact CB-CD2 4.5Å; P1075-F1077 HydrophobicContact CB-CE2 3.92Å; F1077-A1079 PolarHBondContact O-N 2.9Å; F1077-L1080 HydrophobicContact CB-CD1 3.96Å; F1077-L1080 HydrophobicContact CB-CG 4.01Å; F1077-L1080 PolarHBondContact O-N 3.42Å; F1077-L1080 VanDerWaalsContact O-N 3.14Å; F1077-P1230 HydrophobicContact CE2-CB 4.14Å; F1077-P1230 HydrophobicContact CZ-CB 4.37Å; F1077-V1231 HydrophobicContact CE2-CG2 3.98Å; F1077-V1231 HydrophobicContact CZ-CG2 3.96Å; F1077-A1234 HydrophobicContact CD2-CB 3.76Å; F1077-A1234 HydrophobicContact CE2-CB 4.43Å; F1077-C1313 HydrophobicContact CZ-CB 4.46Å; F1077-D1316 HydrophobicContact CD1-CB 4.41Å
1078R74.4Confident63.8Low226 Ų22683.1 Ų83.185%0.85347%0.474SS*.G310 helixtrans-62.5-27.8179.6-79.3-176.8173.2176.7-3.1112.1L1080 L1081R1078-L1080 PolarHBondContact O-N 2.84Å; R1078-L1081 PolarHBondContact O-N 2.81Å; R1078-L1081 VanDerWaalsContact O-N 3.11Å
1079A75.6Confident61.2Low22 Ų2285.2 Ų85.218%0.18249%0.489CS..G310 helixtrans-60.4-19.6175.700000114.8F1077 L1081 R1298 D1316 T1319F1077-A1079 PolarHBondContact O-N 2.9Å; A1079-L1081 VanDerWaalsContact C-N 3.29Å; A1079-R1298 WeakPolarHBondContact O-CD 3.41Å; A1079-D1316 HydrophobicContact CB-CB 3.93Å; A1079-D1316 WeakPolarHBondContact CB-OD2 3.42Å; A1079-D1316 PolarHBondContact N-OD2 3.21Å; A1079-T1319 HydrophobicContact CB-CG2 4.02Å; A1079-T1319 WeakPolarHBondContact O-CB 3.05Å; A1079-T1319 WeakPolarHBondContact O-CG2 3.12Å; A1079-T1319 PolarHBondContact O-OG1 3.29Å
1080L76.9Confident58.7Low6 Ų688.4 Ų88.43%0.03150%0.501CS..G310 helixtrans-80-8.5176.7-63.2176.3000113.5F1077 R1078 A1234 F1235 R1298 P1300 T1319F1077-L1080 HydrophobicContact CB-CD1 3.96Å; F1077-L1080 HydrophobicContact CB-CG 4.01Å; F1077-L1080 PolarHBondContact O-N 3.42Å; F1077-L1080 VanDerWaalsContact O-N 3.14Å; R1078-L1080 PolarHBondContact O-N 2.84Å; L1080-A1234 HydrophobicContact CD1-CB 3.83Å; L1080-F1235 HydrophobicContact CD1-CB 4.22Å; L1080-R1298 WeakPolarHBondContact O-CB 3.48Å; L1080-R1298 PolarHBondContact O-N 3.29Å; L1080-P1300 HydrophobicContact CD2-CG 4.47Å; L1080-T1319 HydrophobicContact CD2-CG2 4.1Å
1081L71.6Confident56.3Low70 Ų7087.6 Ų87.637%0.36651%0.506SS..BIsolated β-bridgetrans-115.3144.2179.8-66.8171.5000110.8R1078 A1079 E1238R1078-L1081 PolarHBondContact O-N 2.81Å; R1078-L1081 VanDerWaalsContact O-N 3.11Å; A1079-L1081 VanDerWaalsContact C-N 3.29Å; L1081-E1238 HydrophobicContact CD2-CG 4.11Å; L1081-E1238 WeakPolarHBondContact CD2-OE1 3.42Å
1082S65.1Low53.7Low29 Ų2992 Ų9220%0.20354%0.537CS..  trans-68.1141.3172.885.10000111.2S1084 G1296S1082-S1084 PolarHBondContact O-N 3.41Å; S1082-S1084 PolarHBondContact OG-OG 3.35Å; S1082-G1296 PolarHBondContact N-O 3.33Å
1083S48.7Very low51.2Low135 Ų13597 Ų9794%0.94456%0.561SS**THydrogen-bonded Turntrans-74.719.7-176.752.80000115
1084S38.7Very low48.5Very low102 Ų10294 Ų9471%0.71356%0.557SS**THydrogen-bonded Turntrans-127.611.5-16863.20000115.4S1082S1082-S1084 PolarHBondContact O-N 3.41Å; S1082-S1084 PolarHBondContact OG-OG 3.35Å
1085S33.1Very low45.9Very low58 Ų5897.6 Ų97.641%0.40658%0.579SS.*  trans-107.662.3-179.360.70000113.8S1087S1085-S1087 PolarHBondContact O-N 2.69Å
1086D30.2Very low43.3Very low182 Ų182105.4 Ų105.497%0.97361%0.613SS**THydrogen-bonded Turntrans-68.915.4171.2-90.6-22.2000113.9
1087S27.9Very low41Very low102 Ų102105.8 Ų105.871%0.71361%0.605SS**THydrogen-bonded Turntrans-117.6-8.1-179.463.60000115S1085 V1089S1085-S1087 PolarHBondContact O-N 2.69Å; S1087-V1089 PolarHBondContact O-N 2.83Å
1088C24.2Very low38.4Very low103 Ų103113.3 Ų113.370%0.69664%0.641SS**  trans-87.482.3168.6-78.20000109.4L1090C1088-L1090 PolarHBondContact O-N 2.86Å; C1088-L1090 VanDerWaalsContact O-N 3.12Å
1089V25.2Very low36Very low120 Ų120107.6 Ų107.673%0.72764%0.636SS**  trans-59.1113.91691740000108.2S1087 P1091S1087-V1089 PolarHBondContact O-N 2.83Å; V1089-P1091 WeakPolarHBondContact O-CD 3.49Å
1090L22.6Very low33.6Very low158 Ų158114.8 Ų114.883%0.82767%0.671SS**  trans-51.9110.6156.1-81.6163.4000107.3C1088 S1092C1088-L1090 PolarHBondContact O-N 2.86Å; C1088-L1090 VanDerWaalsContact O-N 3.12Å; L1090-S1092 PolarHBondContact O-N 3.14Å
1091P23.7Very low31.1Very low99 Ų99122.4 Ų122.464%0.64371%0.712SS**  trans-67115.2169.1-8.426000104.9V1089 L1093V1089-P1091 WeakPolarHBondContact O-CD 3.49Å; P1091-L1093 VanDerWaalsContact C-N 3.29Å; P1091-L1093 PolarHBondContact O-N 2.92Å
1092S23.2Very low28.8Very low98 Ų98123.9 Ų123.969%0.68573%0.734SS**  trans-62.996.6173.354.70000108.2L1090 S1094L1090-S1092 PolarHBondContact O-N 3.14Å; S1092-S1094 PolarHBondContact O-N 2.71Å
1093L24.3Very low26.9Very low157 Ų157128.4 Ų128.482%0.82277%0.765SS**  trans-71.265.1174.8-98.5157.5000110.1P1091P1091-L1093 VanDerWaalsContact C-N 3.29Å; P1091-L1093 PolarHBondContact O-N 2.92Å
1094S23.3Very low25.9Very low76 Ų76127.5 Ų127.553%0.53176%0.759SS.*SBendtrans-146123.9169.455.80000106.3S1092S1092-S1094 PolarHBondContact O-N 2.71Å
1095N24.5Very low25.3Very low146 Ų146128.1 Ų128.178%0.78176%0.763SS**SBendtrans91.333-178.3-48.3-29000118.4
1096Q24.1Very low25Very low193 Ų193135.2 Ų135.290%0.90279%0.787SS**SBendtrans-125.437.5155.6-78.3-158.8-7.700114.2
1097L25.3Very low24.9Very low119 Ų119132.8 Ų132.862%0.62378%0.779SS**SBendtrans-137.830.3164.6-100.1170.9000112.1
1098Q24Very low24.9Very low179 Ų179134.2 Ų134.284%0.83678%0.784SS**SBendtrans-162.870.3178.8-117.7173.564.200112.5
1099S24.2Very low25Very low106 Ų106132.8 Ų132.874%0.74179%0.786SS**  trans171.390.2151.838.30000112.9
1100N24Very low25.2Very low172 Ų172135 Ų13592%0.9279%0.793SS**  trans-120.180.7152.3-100.4-14.7000107.5
1101N24.3Very low25.4Very low167 Ų167132.7 Ų132.789%0.89379%0.79SS**  trans-152.449.2178.8-121.4-1.3000111.1
1102A23.9Very low25.8Very low100 Ų100133.9 Ų133.983%0.82680%0.796SS**  trans-170.198.6162.100000111.5
1103S26.2Very low26.2Very low124 Ų124138.2 Ų138.287%0.86781%0.805SS**  trans-114.890.9157.149.50000109S1105S1103-S1105 PolarHBondContact O-N 2.77Å
1104S26.4Very low26.6Very low117 Ų117135.1 Ų135.182%0.81880%0.795SS**  trans-80.4106.9169.458.30000109.5
1105S26.6Very low26.9Very low114 Ų114138.4 Ų138.480%0.79781%0.806SS**  trans-66.9138.6166.153.60000110.4S1103S1103-S1105 PolarHBondContact O-N 2.77Å
1106K26.2Very low27.1Very low208 Ų208137.7 Ų137.790%0.90480%0.802SS**  trans-163.4105.7158.8-116.9168.9-169.6176.20113.1
1107T27.9Very low27.5Very low131 Ų131133.9 Ų133.980%0.80479%0.793SS**  trans-107.2105.6149.232.10000108.5
1108T29.5Very low27.6Very low132 Ų132134 Ų13481%0.8180%0.798SS**  trans39.1100.9132.4580000117.4
1109G26.6Very low27.9Very low73 Ų73131.6 Ų131.675%0.75379%0.791SS**  119.1151.883.700000108.6
1110L29.4Very low28.1Very low166 Ų166132.1 Ų132.187%0.86979%0.785SS**  cis-151.1152.410.2-89.6119.9000110.5
1111S26.7Very low28.2Very low110 Ų110130.4 Ų130.477%0.76978%0.777SS**  trans62.4141.4154.174.10000118.5
1112T31.3Very low28.5Very low124 Ų124131 Ų13176%0.76178%0.778SS**  cis-146.2128.218.845.40000113.3
1113Q30.7Very low28.6Very low188 Ų188130.4 Ų130.488%0.87977%0.773SS**  trans52157.9132.2-79.2-116.6-46.800123.1
1114P32.6Very low28.6Very low93 Ų93129 Ų12960%0.60477%0.769SS**  trans-131.4178.6-131.345.6-32.5000116
1115D30.7Very low28.7Very low145 Ų145128.2 Ų128.278%0.77576%0.763SS**  trans164.7159.2137.5-92.4-28.1000108.3
1116N27.9Very low28.7Very low130 Ų130128 Ų12870%0.69576%0.762SS**  cis179.2169.6-28.4-146.6-30.1000104.8
1117T32.1Very low28.9Very low114 Ų114123.9 Ų123.970%0.69975%0.754SS**  trans71.895.3163.961.50000121.9
1118T29Very low28.8Very low120 Ų120122.8 Ų122.874%0.73675%0.752SS**  54.1124.8115.5570000124.5
1119N28.9Very low28.9Very low130 Ų130122 Ų12270%0.69575%0.752SS**  95122.4126.6-75.241000123.3
1120D28.9Very low29Very low116 Ų116126 Ų12662%0.6276%0.756SS**  trans69106.6133.2-61.5-41.6000122.6
1121N26.7Very low28.9Very low137 Ų137124.2 Ų124.273%0.73375%0.752SS**  48.8119.4121.7-59.9-48.4000120.2
1122I29.8Very low29Very low179 Ų179124.9 Ų124.992%0.91875%0.752SS**  -174.2159.7108.6-92.8156.5000110.4
1123A25.8Very low28.9Very low88 Ų88123.8 Ų123.873%0.72775%0.749SS**  trans-91-179.2-164.200000116.4
1124A27.5Very low28.7Very low95 Ų95123.6 Ų123.679%0.78575%0.751SS**  trans80144.6163.300000117.3
1125S28.8Very low28.3Very low99 Ų99124.7 Ų124.769%0.69276%0.76SS**  cis-172.7151.9-11.742.90000111.9
1126S26.7Very low28.3Very low111 Ų111122.5 Ų122.578%0.77676%0.757SS**  trans63.5155.7159.171.60000117.3
1127T29.5Very low28.2Very low121 Ų121124.2 Ų124.274%0.74276%0.764SS**  cis-148.3129.415.535.70000107.9
1128S26.8Very low28Very low107 Ų107124.2 Ų124.275%0.74877%0.769SS**  77.4105.368.477.90000117.9
1129S31.5Very low27.7Very low117 Ų117123.8 Ų123.882%0.81877%0.77SS**  trans-162.8113.8144.3510000108.6
1130N27.1Very low27.6Very low156 Ų156124.8 Ų124.883%0.83478%0.781SS**  82.6104.559.3-86.78.7000116.2
1131T28.7Very low27.4Very low128 Ų128123.4 Ų123.479%0.78579%0.785SS**  trans-144.2104.314346.20000106.1
1132T29.1Very low27.3Very low125 Ų125126.6 Ų126.677%0.76780%0.796SS**  47.2127.591.160.50000113.5
1133S28.4Very low27.1Very low101 Ų101121.2 Ų121.271%0.70679%0.785SS**  cis-164.9176.53.247.40000108.1
1134M27.4Very low27Very low184 Ų184129.3 Ų129.391%0.90680%0.797SS**  cis-137.5-155.522.4-79.7-170.3165.800111.9
1135S23.9Very low26.8Very low115 Ų115130.4 Ų130.480%0.80480%0.798SS**  trans-159.3152.4-175.8580000111.9
1136S29Very low26.8Very low100 Ų100131.7 Ų131.770%0.69981%0.807SS**  trans-169.3115.3137.848.20000111.8
1137I27.4Very low26.6Very low166 Ų166131.5 Ų131.585%0.85181%0.806SS**  79130.1102.3-65164.9000112.5
1138S26.7Very low26.4Very low114 Ų114132.6 Ų132.680%0.79781%0.813SS**  cis-148.3160.28.844.70000113.4
1139S23.6Very low26.2Very low110 Ų110136.7 Ų136.777%0.76982%0.82SS**  trans-116.8149.5166.258.50000111.1
1140V26.5Very low25.9Very low151 Ų151136.8 Ų136.892%0.91582%0.821SS**  trans-130.8136.4152.3-179.10000108
1141A23.6Very low25.7Very low87 Ų87135.6 Ų135.672%0.71982%0.82SS**  trans-123.7148.2-176.100000110.8
1142E26.4Very low25.5Very low204 Ų204141.1 Ų141.195%0.95383%0.826SS**  trans175.2135.9151.2-102.3175.3-149.200106.3
1143G24.8Very low25.2Very low67 Ų67142.9 Ų142.969%0.69183%0.825SS**  cis155.9111.5-500000109.9
1144R24.6Very low25Very low258 Ų258148.2 Ų148.297%0.97484%0.836SS**  trans-171.3117.4155.1-109161.7-163.1-154.33.2112.6
1145S22.7Very low24.8Very low117 Ų117145.9 Ų145.982%0.81883%0.827SS**  trans-87.6142.3168.953.50000111.6
1146S27.9Very low24.8Very low126 Ų126147 Ų14788%0.88182%0.823SS**  -154.3139.1125.854.60000110.9
1147S23.9Very low24.7Very low108 Ų108146.3 Ų146.376%0.75582%0.819SS**  trans-92.6153.8-173.751.70000112.4
1148T25.2Very low24.5Very low143 Ų143149 Ų14988%0.87782%0.818SS**  -161115.6129.25.90000111.2
1149Q21.3Very low24.4Very low193 Ų193150.3 Ų150.390%0.90282%0.815SS**  trans-94.9139.4156.1-75.6180-20.400108.3
1150S25.9Very low24.5Very low119 Ų119151.7 Ų151.783%0.83282%0.82SS**  trans-163.1119.514157.60000111
1151T21.8Very low24.6Very low132 Ų132148 Ų14881%0.8181%0.812SS**  trans-89.9140.4165.2420000110.1
1152R26Very low24.6Very low243 Ų243149.9 Ų149.992%0.91782%0.82SS**  -177.4151.4126.4-99.8165.5-173.7-165.91.5113.2
1153H22Very low24.6Very low163 Ų163148.9 Ų148.976%0.75581%0.812SS**  trans-63.1157.5-176.7-73.1-113.3000114.9
1154F24.6Very low24.7Very low212 Ų212151.7 Ų151.793%0.9382%0.819SS**  -156.3140.8118.4-108.4-76.3000110.9
1155L23.3Very low24.7Very low135 Ų135146.6 Ų146.671%0.70781%0.81SS**  trans-77165.5156.6-71.182.5000107.4
1156D24.3Very low24.8Very low138 Ų138146.7 Ų146.774%0.73881%0.811SS**  cis-169.2164.933.2-156.1-10.4000112.7
1157S25.6Very low24.7Very low86 Ų86145 Ų14560%0.60180%0.8SS**  trans71.8111.2148.974.80000123.7
1158R24Very low24.8Very low224 Ų224144.1 Ų144.185%0.84581%0.807SS**  77.2114.4122.6-68.3-175.6-168.1-1502.9123.6
1159L24.7Very low25Very low140 Ų140143 Ų14373%0.73380%0.8SS**  96.8126.8120.5-75.1169.1000122.3
1160T25.1Very low25.5Very low140 Ų140139.3 Ų139.386%0.85980%0.795SS**  trans69.8118.4154.257.60000119.7
1161G28.6Very low26.2Very low74 Ų74137 Ų13776%0.76379%0.791SS**  trans167.563.9174.200000113.7K1163G1161-K1163 PolarHBondContact O-N 3.14Å
1162S24.2Very low27.5Very low125 Ų125139.1 Ų139.187%0.87479%0.791SS**  trans-64124.1178.553.20000112.7
1163K26Very low29.2Very low183 Ų183130.2 Ų130.280%0.79676%0.761SS**  trans-135.9141159.9-80.7-170.9175.9-1790110.1G1161 N1165G1161-K1163 PolarHBondContact O-N 3.14Å; K1163-N1165 PolarHBondContact O-N 3.36Å
1164P26Very low31.8Very low127 Ų127127.8 Ų127.883%0.82575%0.75SS**  trans-79.3112175.931.5-31.5000109.8S1166P1164-S1166 PolarHBondContact O-N 3.26Å
1165N26Very low34.9Very low150 Ų150122.7 Ų122.780%0.80272%0.724SS**  trans-89102.5173.4-88.81.9000110.7K1163K1163-N1165 PolarHBondContact O-N 3.36Å
1166S24.3Very low38.1Very low120 Ų120116.2 Ų116.284%0.83969%0.691SS**  trans-114.376.7160.260.90000109.4P1164P1164-S1166 PolarHBondContact O-N 3.26Å
1167S26.5Very low41.4Very low91 Ų91110.4 Ų110.464%0.63666%0.66SS**SBendtrans-150.4113.3173.659.10000111.2V1169S1167-V1169 PolarHBondContact O-N 2.92Å
1168G25.8Very low44.5Very low88 Ų88107.4 Ų107.491%0.90764%0.637SS**  trans0.3102.3174.600000118.9
1169V28.4Very low47.7Very low119 Ų11996.7 Ų96.772%0.72160%0.597SS**  trans-99.4117155.1178.90000107.3S1167 G1171S1167-V1169 PolarHBondContact O-N 2.92Å; V1169-G1171 PolarHBondContact O-N 2.84Å; V1169-G1171 VanDerWaalsContact O-N 3.09Å
1170S32.9Very low51Low116 Ų11690 Ų9081%0.81156%0.562SS**  trans-59.6108.6159.648.10000107.2E1172S1170-E1172 PolarHBondContact O-N 2.74Å
1171G39.5Very low54.3Low71 Ų7185.1 Ų85.173%0.73253%0.528SS*.  trans-51.3111-160.300000113.7V1169 M1173V1169-G1171 PolarHBondContact O-N 2.84Å; V1169-G1171 VanDerWaalsContact O-N 3.09Å; G1171-M1173 PolarHBondContact O-N 3.32Å
1172E49Very low57.4Low176 Ų17681.6 Ų81.682%0.82249%0.491SS*.  trans-67.6117170.2-154.8173.8-166.300107.6S1170 Q1174S1170-E1172 PolarHBondContact O-N 2.74Å; E1172-Q1174 PolarHBondContact O-N 3.07Å; E1172-Q1174 VanDerWaalsContact O-N 3.08Å
1173M63.1Low60.8Low56 Ų5675.9 Ų75.928%0.27645%0.451SS..  trans-58.1114.2-171.2-175.4-179.4-169.400110.5A1031 R1034 G1171A1031-M1173 HydrophobicContact CB-CE 3.39Å; A1031-M1173 HydrophobicContact CB-SD 4.48Å; R1034-M1173 HydrophobicContact CB-CE 3.7Å; R1034-M1173 HydrophobicContact CB-SD 4.33Å; R1034-M1173 HydrophobicContact CG-CE 3.46Å; R1034-M1173 VanDerWaalsContact CG-CE 3.46Å; R1034-M1173 HydrophobicContact CG-SD 4.38Å; G1171-M1173 PolarHBondContact O-N 3.32Å
1174Q76.6Confident64.1Low113 Ų11367.6 Ų67.653%0.52842%0.416SS..EExtended strand (participates in β ladder)trans-63.7142.9-172-62.1-175.2-19.700110.8I1032 G1033 R1034 E1172I1032-Q1174 WeakPolarHBondContact O-CB 3.2Å; I1032-Q1174 PolarHBondContact O-N 3.4Å; G1033-Q1174 WeakPolarHBondContact CA-O 3.33Å; R1034-Q1174 PolarHBondContact N-O 3.48Å; E1172-Q1174 PolarHBondContact O-N 3.07Å; E1172-Q1174 VanDerWaalsContact O-N 3.08Å
1175R87.8Confident67.2Low104 Ų10461.6 Ų61.639%0.39238%0.377SS..EExtended strand (participates in β ladder)trans-77.9135.2176.1-174.9176.7-178.8179.9-0.3109.2H1037 D1067 V1177H1037-R1175 PolarHBondContact NE2-NH2 2.85Å; D1067-R1175 PolarHBondContact N-O 3.37Å; R1175-V1177 HydrophobicContact CG-CG1 3.93Å
1176L92.1Very high70.4Confident0 Ų054.9 Ų54.90%034%0.341CS..EExtended strand (participates in β ladder)trans-89.8136.7158.1-58.8172.5000108.5L1019 R1034 H1035 F1052 V1064 S1065 R1066L1019-L1176 HydrophobicContact CB-CD1 4.16Å; R1034-L1176 PolarHBondContact O-N 2.81Å; H1035-L1176 HydrophobicContact CB-CB 4.29Å; F1052-L1176 HydrophobicContact CD2-CD2 4.42Å; F1052-L1176 HydrophobicContact CE2-CD2 4.22Å; V1064-L1176 HydrophobicContact CB-CB 4.24Å; V1064-L1176 HydrophobicContact CG2-CB 4.11Å; V1064-L1176 HydrophobicContact CG2-CD1 4.11Å; S1065-L1176 CarbonylContact O-C 3.53Å; S1065-L1176 WeakPolarHBondContact O-CA 3.48Å; R1066-L1176 HydrophobicContact CG-CD2 4.21Å
1177V92.1Very high73.8Confident16 Ų1652 Ų5210%0.09731%0.313CS..EExtended strand (participates in β ladder)trans-122.8145.5-177.1-64.70000110.2V1064 S1065 D1067 T1072 R1175 C1179V1064-V1177 CarbonylContact C-O 3.59Å; V1064-V1177 WeakPolarHBondContact CA-O 3.42Å; V1064-V1177 WeakPolarHBondContact CB-O 3.3Å; S1065-V1177 PolarHBondContact N-O 2.9Å; S1065-V1177 PolarHBondContact O-N 2.83Å; D1067-V1177 HydrophobicContact CB-CG1 3.97Å; D1067-V1177 HydrophobicContact CB-CG2 4.37Å; T1072-V1177 HydrophobicContact CG2-CG2 3.97Å; R1175-V1177 HydrophobicContact CG-CG1 3.93Å; V1177-C1179 PolarHBondContact O-N 3.29Å
1178D91.5Very high77.2Confident22 Ų2247.7 Ų47.712%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-58.4122169.6-61.3-43.7000109.1H1035 Y1181 K1268H1035-D1178 IonicContact CE1-OD1 3.6Å; H1035-D1178 PolarHBondContact CE1-OD1 2.87Å; H1035-D1178 IonicContact NE2-OD1 2.71Å; H1035-D1178 PolarHBondContact NE2-OD1 3.22Å; H1035-D1178 IonicContact NE2-OD2 3.4Å; D1178-Y1181 HydrophobicContact CB-CD1 4.16Å; D1178-Y1181 HydrophobicContact CB-CE1 4.49Å; D1178-K1268 IonicContact OD2-NZ 3.26Å
1179C91.6Very high80.6Confident0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-113.5-26.3179.470.20000112.9V1063 N1071 V1177 N1272V1063-C1179 VanDerWaalsContact C-SG 3.58Å; V1063-C1179 VanDerWaalsContact CG1-SG 3.6Å; V1063-C1179 PolarHBondContact O-N 3.07Å; V1063-C1179 PolarHBondContact O-SG 3.49Å; N1071-C1179 HydrophobicContact CB-CB 4.41Å; N1071-C1179 WeakPolarHBondContact O-CB 3.47Å; V1177-C1179 PolarHBondContact O-N 3.29Å; C1179-N1272 PolarHBondContact O-ND2 2.87Å
1180A93.9Very high83.9Confident0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-148.5147.4171.100000109.8F4 F1062 V1063 H1271 N1272 F1273F4-A1180 HydrophobicContact CD2-CB 3.87Å; F4-A1180 HydrophobicContact CE2-CB 3.87Å; F1062-A1180 CarbonylContact C-O 3.6Å; F1062-A1180 WeakPolarHBondContact CA-O 3.45Å; V1063-A1180 HydrophobicContact CB-CB 4.15Å; V1063-A1180 HydrophobicContact CG2-CB 4.34Å; V1063-A1180 PolarHBondContact N-O 3.14Å; V1063-A1180 PolarHBondContact O-N 2.86Å; A1180-H1271 CarbonylContact C-O 3.54Å; A1180-H1271 VanDerWaalsContact CA-O 3.26Å; A1180-H1271 WeakPolarHBondContact CA-O 3.39Å; A1180-N1272 HydrophobicContact CB-CB 3.51Å; A1180-F1273 HydrophobicContact CB-CD2 3.73Å; A1180-F1273 HydrophobicContact CB-CE2 3.56Å
1181Y94.2Very high87Confident36 Ų3634.7 Ų34.714%0.14118%0.18CC..EExtended strand (participates in β ladder)trans-160.3146179.847.2-92.6000113L1061 D1178 F1261 K1268 M1269 A1270 H1271L1061-Y1181 WeakPolarHBondContact O-CA 3.25Å; D1178-Y1181 HydrophobicContact CB-CD1 4.16Å; D1178-Y1181 HydrophobicContact CB-CE1 4.49Å; Y1181-F1261 HydrophobicContact CD2-CB 3.71Å; Y1181-F1261 HydrophobicContact CD2-CD1 4.16Å; Y1181-F1261 HydrophobicContact CD2-CD2 4.41Å; Y1181-F1261 AromaticContact CD2-CG 3.91Å; Y1181-F1261 HydrophobicContact CD2-CG 3.91Å; Y1181-F1261 HydrophobicContact CE2-CB 4.48Å; Y1181-F1261 HydrophobicContact CG-CD2 4.43Å; Y1181-F1261 HydrophobicContact CG-CG 4.3Å; Y1181-K1268 HydrophobicContact CD2-CB 4.14Å; Y1181-K1268 HydrophobicContact CE1-CD 4.32Å; Y1181-K1268 HydrophobicContact CE2-CB 3.35Å; Y1181-K1268 HydrophobicContact CE2-CD 3.86Å; Y1181-K1268 HydrophobicContact CE2-CG 4.23Å; Y1181-M1269 WeakPolarHBondContact CE2-O 3.5Å; Y1181-A1270 WeakPolarHBondContact O-CA 3.42Å; Y1181-H1271 HydrophobicContact CD1-CB 4.34Å; Y1181-H1271 HydrophobicContact CD2-CB 4.24Å; Y1181-H1271 HydrophobicContact CE1-CB 3.76Å; Y1181-H1271 HydrophobicContact CE2-CB 3.68Å; Y1181-H1271 PolarHBondContact N-O 3.26Å; Y1181-H1271 PolarHBondContact O-N 3.03Å
1182F94.9Very high89.6Confident0 Ų032.1 Ų32.10%015%0.15CC..EExtended strand (participates in β ladder)trans-159.2144.1-167.8-177.5-97000111.6H6 N1060 L1061 T1184 R1259 A1270 F1273 D1275H6-F1182 HydrophobicContact CB-CE1 4.44Å; H6-F1182 AromaticContact CE1-CE1 3.7Å; H6-F1182 AromaticContact CG-CE1 3.74Å; H6-F1182 AromaticContact ND1-CE1 3.23Å; H6-F1182 WeakPolarHBondContact ND1-CE1 3.21Å; H6-F1182 AromaticContact ND1-CZ 3.39Å; H6-F1182 WeakPolarHBondContact ND1-CZ 3.36Å; N1060-F1182 CarbonylContact C-O 3.6Å; N1060-F1182 WeakPolarHBondContact CA-O 3.22Å; L1061-F1182 PolarHBondContact N-O 2.9Å; L1061-F1182 PolarHBondContact O-N 3.43Å; F1182-T1184 HydrophobicContact CD1-CG2 4.25Å; F1182-T1184 HydrophobicContact CE1-CG2 4.47Å; F1182-R1259 HydrophobicContact CD2-CB 4.26Å; F1182-R1259 HydrophobicContact CE2-CB 3.95Å; F1182-R1259 HydrophobicContact CE2-CG 3.8Å; F1182-R1259 HydrophobicContact CZ-CG 4.01Å; F1182-R1259 VanDerWaalsContact CZ-CZ 3.5Å; F1182-R1259 VanDerWaalsContact CZ-NE 3.33Å; F1182-A1270 HydrophobicContact CD2-CB 3.98Å; F1182-F1273 HydrophobicContact CB-CB 4.04Å; F1182-F1273 HydrophobicContact CB-CD1 3.69Å; F1182-F1273 HydrophobicContact CB-CD2 3.82Å; F1182-F1273 HydrophobicContact CB-CE1 3.96Å; F1182-F1273 HydrophobicContact CB-CE2 4.12Å; F1182-F1273 HydrophobicContact CB-CG 3.61Å; F1182-F1273 HydrophobicContact CB-CZ 4.19Å; F1182-F1273 HydrophobicContact CD1-CD1 4.45Å; F1182-F1273 HydrophobicContact CD2-CB 3.75Å; F1182-F1273 HydrophobicContact CD2-CD1 4.18Å; F1182-F1273 HydrophobicContact CD2-CG 4.15Å; F1182-F1273 HydrophobicContact CG-CB 4.21Å; F1182-F1273 AromaticContact CG-CD1 3.9Å; F1182-F1273 HydrophobicContact CG-CD1 3.9Å; F1182-F1273 HydrophobicContact CG-CE1 4.4Å; F1182-F1273 HydrophobicContact CG-CG 4.09Å; F1182-D1275 HydrophobicContact CE2-CB 4.03Å; F1182-D1275 HydrophobicContact CZ-CB 4.16Å
1183H95.5Very high91.7Very high5 Ų530.5 Ų30.52%0.02314%0.136CC..EExtended strand (participates in β ladder)trans-93.9112.1173.6-171.675.9000111.1E1058 N1059 N1060 W1258 R1259E1058-H1183 PolarHBondContact O-CE1 2.88Å; E1058-H1183 PolarHBondContact O-ND1 2.94Å; N1059-H1183 PolarHBondContact O-ND1 2.8Å; N1059-H1183 VanDerWaalsContact O-ND1 3.15Å; N1060-H1183 PolarHBondContact OD1-ND1 2.86Å; H1183-W1258 AromaticContact CD2-CE3 3.75Å; H1183-W1258 AromaticContact CD2-CZ3 3.51Å; H1183-W1258 PolarHBondContact CD2-O 2.83Å; H1183-W1258 AromaticContact NE2-CZ3 3.46Å; H1183-W1258 WeakPolarHBondContact NE2-CZ3 3.45Å; H1183-R1259 WeakPolarHBondContact CB-O 3.35Å; H1183-R1259 PolarHBondContact N-O 2.85Å; H1183-R1259 VanDerWaalsContact O-CD 3.28Å; H1183-R1259 WeakPolarHBondContact O-CD 3.32Å; H1183-R1259 PolarHBondContact O-NH1 2.82Å
1184T93.7Very high92.9Very high10 Ų1027.9 Ų27.96%0.06112%0.124CC..  trans-73.9-31.8177.847.70000112.2N1059 L1061 F1182 D1186 R1259N1059-T1184 PolarHBondContact O-N 2.88Å; N1059-T1184 PolarHBondContact O-OG1 2.71Å; L1061-T1184 HydrophobicContact CB-CG2 4.46Å; L1061-T1184 HydrophobicContact CD1-CG2 3.38Å; L1061-T1184 HydrophobicContact CG-CG2 3.53Å; F1182-T1184 HydrophobicContact CD1-CG2 4.25Å; F1182-T1184 HydrophobicContact CE1-CG2 4.47Å; T1184-D1186 VanDerWaalsContact C-N 3.27Å; T1184-D1186 PolarHBondContact OG1-N 3.27Å; T1184-D1186 PolarHBondContact OG1-O 3.08Å; T1184-R1259 PolarHBondContact O-NH1 2.88Å
1185G91.9Very high93.3Very high0 Ų022.7 Ų22.70%010%0.1CC..SBendtrans81.71.6-172.400000114.8N36 N1059N36-G1185 PolarHBondContact ND2-O 3.26Å; N36-G1185 VanDerWaalsContact ND2-O 3.08Å; N1059-G1185 PolarHBondContact O-N 2.82Å
1186D93.9Very high93.1Very high9 Ų917.9 Ų17.95%0.0488%0.082CC..SBendtrans-136.7151.5178.3-145.9-37.7000112N36 N1059 T1184 V1188 T1217 N1219N36-D1186 PolarHBondContact ND2-OD2 3.15Å; N1059-D1186 VanDerWaalsContact OD1-C 3.31Å; T1184-D1186 VanDerWaalsContact C-N 3.27Å; T1184-D1186 PolarHBondContact OG1-N 3.27Å; T1184-D1186 PolarHBondContact OG1-O 3.08Å; D1186-V1188 PolarHBondContact O-N 2.96Å; D1186-T1217 HydrophobicContact CB-CG2 3.93Å; D1186-N1219 PolarHBondContact OD1-ND2 3.39Å; D1186-N1219 WeakPolarHBondContact OD2-CB 3.46Å; D1186-N1219 PolarHBondContact OD2-ND2 3.08Å
1187F95.3Very high92.4Very high59 Ų5919.5 Ų19.526%0.2599%0.092SC..  trans-83.6111.4-175.3-169.4-73.7000109.2T1042 V1057 N1059 N1189 T1217 V1218T1042-F1187 HydrophobicContact CG2-CD1 4.47Å; T1042-F1187 HydrophobicContact CG2-CE1 3.68Å; T1042-F1187 HydrophobicContact CG2-CE2 3.85Å; T1042-F1187 HydrophobicContact CG2-CZ 3.33Å; V1057-F1187 HydrophobicContact CB-CE2 3.95Å; V1057-F1187 HydrophobicContact CG1-CE2 3.91Å; V1057-F1187 HydrophobicContact CG1-CZ 4.25Å; N1059-F1187 PolarHBondContact OD1-N 3.02Å; F1187-N1189 WeakPolarHBondContact CD1-OD1 3.3Å; F1187-N1189 VanDerWaalsContact CE1-OD1 3.3Å; F1187-N1189 WeakPolarHBondContact CE1-OD1 3.43Å; F1187-T1217 CarbonylContact O-C 3.55Å; F1187-T1217 WeakPolarHBondContact O-CA 3.43Å; F1187-T1217 WeakPolarHBondContact O-CB 3.44Å; F1187-V1218 HydrophobicContact CB-CB 4.21Å; F1187-V1218 HydrophobicContact CB-CG2 3.86Å; F1187-V1218 HydrophobicContact CD1-CG2 3.6Å; F1187-V1218 HydrophobicContact CE1-CG2 4.44Å; F1187-V1218 HydrophobicContact CG-CG2 4Å; F1187-V1218 PolarHBondContact O-N 2.86Å
1188V97.6Very high91.1Very high2 Ų222.6 Ų22.61%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-88.7123.3-176-169.70000110.4T1042 C1043 A1055 L1061 D1186 F1191 Y1215 T1217T1042-V1188 VanDerWaalsContact CB-O 3.24Å; T1042-V1188 WeakPolarHBondContact CB-O 3.34Å; T1042-V1188 PolarHBondContact OG1-O 3.34Å; C1043-V1188 VanDerWaalsContact SG-CG1 3.55Å; A1055-V1188 HydrophobicContact CB-CB 3.73Å; A1055-V1188 HydrophobicContact CB-CG1 4.35Å; A1055-V1188 HydrophobicContact CB-CG2 4.2Å; L1061-V1188 HydrophobicContact CD2-CG2 4.38Å; D1186-V1188 PolarHBondContact O-N 2.96Å; V1188-F1191 HydrophobicContact CG1-CE1 4.22Å; V1188-F1191 HydrophobicContact CG1-CZ 4.37Å; V1188-Y1215 HydrophobicContact CB-CD2 4.38Å; V1188-Y1215 HydrophobicContact CG1-CD2 3.67Å; V1188-Y1215 HydrophobicContact CG1-CG 3.89Å; V1188-Y1215 HydrophobicContact CG2-CD2 3.83Å; V1188-Y1215 HydrophobicContact CG2-CE2 3.99Å; V1188-Y1215 HydrophobicContact CG2-CG 4.48Å; V1188-T1217 HydrophobicContact CG2-CG2 4.28Å
1189N97.2Very high89.8Confident41 Ų4123.4 Ų23.422%0.21911%0.11CC..EExtended strand (participates in β ladder)trans-98.3-31.4-179.1-80.3-26.4000113.5I383 C1043 F1187 G1216 V1218I383-N1189 VanDerWaalsContact O-CB 3.24Å; I383-N1189 WeakPolarHBondContact O-CB 3.25Å; I383-N1189 PolarHBondContact O-ND2 2.74Å; C1043-N1189 WeakPolarHBondContact CB-O 3.39Å; F1187-N1189 WeakPolarHBondContact CD1-OD1 3.3Å; F1187-N1189 VanDerWaalsContact CE1-OD1 3.3Å; F1187-N1189 WeakPolarHBondContact CE1-OD1 3.43Å; N1189-G1216 PolarHBondContact N-O 2.81Å; N1189-V1218 WeakPolarHBondContact ND2-CG2 3.41Å
1190V97.5Very high88.4Confident7 Ų728.1 Ų28.14%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-150.9139.9-168.256.40000111.9I383 M386 Y1215 G1216I383-V1190 HydrophobicContact CG2-CG1 3.98Å; M386-V1190 HydrophobicContact CB-CG1 4.47Å; M386-V1190 HydrophobicContact CE-CG1 4.09Å; M386-V1190 HydrophobicContact CG-CB 4.5Å; M386-V1190 HydrophobicContact CG-CG1 3.73Å; M386-V1190 HydrophobicContact CG-CG2 3.92Å; M386-V1190 HydrophobicContact SD-CG1 3.83Å; V1190-Y1215 CarbonylContact O-C 3.47Å; V1190-Y1215 WeakPolarHBondContact O-CA 3.42Å; V1190-Y1215 WeakPolarHBondContact O-CB 3.35Å; V1190-G1216 PolarHBondContact O-N 3.47Å
1191F97.1Very high86.8Confident2 Ų232 Ų321%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-107.1144.9166-67.7-62.9000110.5R1002 C1043 E1045 L1053 A1055 L1061 V1188 L1214 Y1215R1002-F1191 PolarHBondContact NH2-O 3.03Å; C1043-F1191 HydrophobicContact CB-CD2 4.01Å; C1043-F1191 HydrophobicContact CB-CE2 4.14Å; C1043-F1191 VanDerWaalsContact SG-CD2 3.54Å; C1043-F1191 WeakPolarHBondContact SG-CE2 3.19Å; E1045-F1191 HydrophobicContact CB-CB 3.91Å; E1045-F1191 HydrophobicContact CB-CD2 3.87Å; E1045-F1191 HydrophobicContact CB-CG 4.02Å; E1045-F1191 HydrophobicContact CG-CB 4.23Å; L1053-F1191 HydrophobicContact CD1-CZ 4.34Å; L1053-F1191 HydrophobicContact CD2-CD1 3.78Å; L1053-F1191 HydrophobicContact CD2-CD2 4.35Å; L1053-F1191 HydrophobicContact CD2-CE1 3.43Å; L1053-F1191 VanDerWaalsContact CD2-CE1 3.43Å; L1053-F1191 HydrophobicContact CD2-CE2 4Å; L1053-F1191 HydrophobicContact CD2-CG 4.26Å; L1053-F1191 HydrophobicContact CD2-CZ 3.56Å; L1053-F1191 HydrophobicContact CG-CE1 4.07Å; L1053-F1191 HydrophobicContact CG-CE2 3.92Å; L1053-F1191 HydrophobicContact CG-CZ 3.64Å; A1055-F1191 HydrophobicContact CB-CE2 4.49Å; A1055-F1191 HydrophobicContact CB-CZ 4.2Å; L1061-F1191 HydrophobicContact CD2-CE1 3.94Å; L1061-F1191 HydrophobicContact CD2-CZ 3.57Å; V1188-F1191 HydrophobicContact CG1-CE1 4.22Å; V1188-F1191 HydrophobicContact CG1-CZ 4.37Å; F1191-L1214 CarbonylContact C-O 3.51Å; F1191-L1214 WeakPolarHBondContact CA-O 3.27Å; F1191-Y1215 HydrophobicContact CE1-CD1 4.44Å; F1191-Y1215 HydrophobicContact CE1-CG 4.32Å
1192V94.8Very high85.1Confident17 Ų1739.6 Ų39.610%0.10320%0.204CC..EExtended strand (participates in β ladder)trans-135.9140.1166.5167.90000109.4M386 L388 H1213 L1214M386-V1192 HydrophobicContact CE-CB 3.97Å; M386-V1192 HydrophobicContact CE-CG2 4.01Å; M386-V1192 HydrophobicContact CG-CB 4.44Å; M386-V1192 HydrophobicContact CG-CG2 3.6Å; M386-V1192 WeakPolarHBondContact O-CG2 3.39Å; L388-V1192 HydrophobicContact CB-CG1 3.61Å; V1192-H1213 CarbonylContact O-C 3.49Å; V1192-H1213 WeakPolarHBondContact O-CA 3.4Å; V1192-L1214 PolarHBondContact N-O 3.34Å; V1192-L1214 PolarHBondContact O-N 3.11Å
1193R92.4Very high83.8Confident142 Ų14245.4 Ų45.454%0.53623%0.231SC..EExtended strand (participates in β ladder)trans-85.1133.5176.6-169.2174.3-172-141.2-2.3110.4P1211R1193-P1211 HydrophobicContact CG-CB 4.27Å; R1193-P1211 HydrophobicContact CG-CG 3.56Å
1194G89.5Confident82.8Confident1 Ų148.7 Ų48.71%0.0124%0.243CC..SBendtrans119.9174.9-176.400000113.1G1212 L1214G1194-G1212 PolarHBondContact N-O 3.35Å; G1194-L1214 WeakPolarHBondContact O-CD1 3.27Å; G1194-L1214 WeakPolarHBondContact O-CG 3.37Å
1195N84.8Confident82.4Confident4 Ų449.9 Ų49.92%0.02125%0.247CC..  trans-125.5159-178-61.532.6000110N395 G1212 L1337N395-N1195 WeakPolarHBondContact CB-O 3.34Å; N395-N1195 PolarHBondContact ND2-O 2.98Å; N1195-G1212 VanDerWaalsContact OD1-CA 3.31Å; N1195-G1212 WeakPolarHBondContact OD1-CA 3.37Å; N1195-G1212 PolarHBondContact OD1-N 2.59Å; N1195-L1337 PolarHBondContact ND2-O 3.25Å
1196L82.6Confident82.3Confident3 Ų353.5 Ų53.52%0.01627%0.269CS..SBendtrans-74-36.1170.3-74.8169.7000112.2L388 L397 I412 N414 L791 L1214L388-L1196 HydrophobicContact CD1-CD2 4.47Å; L397-L1196 HydrophobicContact CB-CD2 3.88Å; I412-L1196 HydrophobicContact CG2-CD1 4.4Å; N414-L1196 HydrophobicContact CB-CB 4.16Å; L791-L1196 HydrophobicContact CD2-CD1 3.93Å; L1196-L1214 HydrophobicContact CG-CD1 4.26Å
1197V77.8Confident82.1Confident34 Ų3453 Ų5321%0.20627%0.266CS..SBendtrans-74.6127.6174.8-162.30000110.9Q1199 H1338V1197-Q1199 HydrophobicContact CG1-CG 4.14Å; V1197-H1338 WeakPolarHBondContact CG2-O 3.38Å; V1197-H1338 VanDerWaalsContact CG2-OXT 3.25Å; V1197-H1338 WeakPolarHBondContact CG2-OXT 3.1Å
1198L66.3Low81.9Confident80 Ų8051.2 Ų51.242%0.41926%0.26SS..  trans-85.2106.4162.1-93.3139.3000109.3Q394 N395Q394-L1198 VanDerWaalsContact C-CD1 3.49Å; Q394-L1198 VanDerWaalsContact N-CD1 3.35Å; N395-L1198 WeakPolarHBondContact OD1-CD1 3.35Å
1199Q62.4Low81.4Confident40 Ų4052 Ų5219%0.18727%0.268CS..  trans-95.4129.8166.5-66.2-176.6-8.100109.8V1197 R1204 R1336V1197-Q1199 HydrophobicContact CG1-CG 4.14Å; Q1199-R1204 HydrophobicContact CB-CG 4.11Å; Q1199-R1204 PolarHBondContact O-NE 2.95Å; Q1199-R1204 VanDerWaalsContact O-NE 3.09Å; Q1199-R1204 PolarHBondContact O-NH2 3.37Å; Q1199-R1336 PolarHBondContact NE2-O 3.24Å
1200N62.7Low80.8Confident98 Ų9854.1 Ų54.152%0.52427%0.274SS..  trans-60.1144173.2-66.4-54.1000110.1E1202 E1203 R1204N1200-E1202 PolarHBondContact O-N 2.79Å; N1200-E1202 VanDerWaalsContact O-N 3.14Å; N1200-E1203 HydrophobicContact CB-CB 4.47Å; N1200-E1203 HydrophobicContact CB-CG 4.21Å; N1200-E1203 WeakPolarHBondContact CB-OE2 2.86Å; N1200-E1203 PolarHBondContact ND2-OE2 3.08Å; N1200-E1203 PolarHBondContact O-N 3.28Å; N1200-E1203 VanDerWaalsContact O-N 3.08Å; N1200-R1204 WeakPolarHBondContact O-CG 3.34Å; N1200-R1204 PolarHBondContact O-N 2.53Å
1201A60.3Low80.1Confident81 Ų8155 Ų5567%0.66928%0.28SS*.THydrogen-bonded Turntrans-60.3-29.1-174.800000113.6
1202E59.6Low79.8Confident197 Ų19755 Ų5592%0.92128%0.279SS*.THydrogen-bonded Turntrans-78.9-22.7179.3-59.6-174.6171.200113.5N1200N1200-E1202 PolarHBondContact O-N 2.79Å; N1200-E1202 VanDerWaalsContact O-N 3.14Å
1203E66.7Low79.8Confident122 Ų12254.9 Ų54.957%0.5728%0.278SS*.THydrogen-bonded Turntrans-89.1-8.3-179.8-65.7174145.900112.5N1200 W1205N1200-E1203 HydrophobicContact CB-CB 4.47Å; N1200-E1203 HydrophobicContact CB-CG 4.21Å; N1200-E1203 WeakPolarHBondContact CB-OE2 2.86Å; N1200-E1203 PolarHBondContact ND2-OE2 3.08Å; N1200-E1203 PolarHBondContact O-N 3.28Å; N1200-E1203 VanDerWaalsContact O-N 3.08Å; E1203-W1205 PolarHBondContact O-N 2.83Å
1204R75.4Confident79.9Confident73 Ų7348.2 Ų48.228%0.27525%0.253SS..  trans-71.9118.1-175.6-72.3171.9-165.3-169.8-3.9111.6Q1199 N1200 T1206 Y1210Q1199-R1204 HydrophobicContact CB-CG 4.11Å; Q1199-R1204 PolarHBondContact O-NE 2.95Å; Q1199-R1204 VanDerWaalsContact O-NE 3.09Å; Q1199-R1204 PolarHBondContact O-NH2 3.37Å; N1200-R1204 WeakPolarHBondContact O-CG 3.34Å; N1200-R1204 PolarHBondContact O-N 2.53Å; R1204-T1206 PolarHBondContact O-N 3.33Å; R1204-T1206 VanDerWaalsContact O-N 3.15Å; R1204-Y1210 VanDerWaalsContact NH1-CE1 3.27Å
1205W85Confident80.3Confident36 Ų3648.5 Ų48.514%0.13625%0.254CS..  trans-66.7112.4171.5-172.625.6000110.4E1203 A1207 V1208 L1232 M1303 F1306 V1330 E1333 M1334E1203-W1205 PolarHBondContact O-N 2.83Å; W1205-A1207 HydrophobicContact CD2-CB 4.02Å; W1205-A1207 HydrophobicContact CG-CB 4.28Å; W1205-A1207 HydrophobicContact CZ2-CB 4.19Å; W1205-A1207 PolarHBondContact O-N 3.22Å; W1205-V1208 HydrophobicContact CE3-CG2 4.14Å; W1205-V1208 PolarHBondContact O-N 2.92Å; W1205-L1232 HydrophobicContact CE3-CD2 4.49Å; W1205-L1232 HydrophobicContact CH2-CD1 3.64Å; W1205-L1232 HydrophobicContact CH2-CD2 4.17Å; W1205-L1232 HydrophobicContact CZ2-CD1 4.41Å; W1205-L1232 HydrophobicContact CZ3-CD1 4.11Å; W1205-L1232 HydrophobicContact CZ3-CD2 4.04Å; W1205-M1303 HydrophobicContact CD2-CE 4.43Å; W1205-M1303 HydrophobicContact CE3-CE 4.47Å; W1205-M1303 HydrophobicContact CH2-CE 3.68Å; W1205-M1303 HydrophobicContact CH2-SD 4.36Å; W1205-M1303 HydrophobicContact CZ2-CE 3.62Å; W1205-M1303 HydrophobicContact CZ2-SD 3.96Å; W1205-M1303 HydrophobicContact CZ3-CE 4.13Å; W1205-M1303 PolarHBondContact NE1-O 3.31Å; W1205-F1306 HydrophobicContact CH2-CD2 4.41Å; W1205-F1306 HydrophobicContact CH2-CE2 4.49Å; W1205-F1306 HydrophobicContact CH2-CG 4.37Å; W1205-F1306 HydrophobicContact CZ2-CB 3.9Å; W1205-F1306 HydrophobicContact CZ2-CD1 4.23Å; W1205-F1306 AromaticContact CZ2-CD2 3.59Å; W1205-F1306 HydrophobicContact CZ2-CD2 3.59Å; W1205-F1306 HydrophobicContact CZ2-CE2 4.02Å; W1205-F1306 AromaticContact CZ2-CG 3.66Å; W1205-F1306 HydrophobicContact CZ2-CG 3.66Å; W1205-F1306 HydrophobicContact CZ2-CZ 4.5Å; W1205-V1330 HydrophobicContact CH2-CG1 4.11Å; W1205-V1330 HydrophobicContact CH2-CG2 4.39Å; W1205-V1330 HydrophobicContact CZ3-CG1 4.41Å; W1205-E1333 HydrophobicContact CE3-CB 4.17Å; W1205-E1333 HydrophobicContact CZ3-CB 4.28Å; W1205-M1334 HydrophobicContact CZ3-SD 4.24Å
1206T88.6Confident80.9Confident75 Ų7548.3 Ų48.346%0.4625%0.253SS..THydrogen-bonded Turntrans-57.8-19.7-17461.70000115R1204 V1208 G1307 T1308 A1309R1204-T1206 PolarHBondContact O-N 3.33Å; R1204-T1206 VanDerWaalsContact O-N 3.15Å; T1206-V1208 PolarHBondContact O-N 2.84Å; T1206-G1307 CarbonylContact C-O 3.55Å; T1206-G1307 PolarHBondContact OG1-O 2.78Å; T1206-T1308 CarbonylContact O-C 3.56Å; T1206-T1308 VanDerWaalsContact O-CA 3.28Å; T1206-T1308 WeakPolarHBondContact O-CA 3.41Å; T1206-A1309 PolarHBondContact O-N 2.83Å
1207A90.9Very high81.6Confident0 Ų048.2 Ų48.20%025%0.252CS..THydrogen-bonded Turntrans-67.4-15.7175.100000113.3W1205 V1228 S1229 L1232 F1306 G1307W1205-A1207 HydrophobicContact CD2-CB 4.02Å; W1205-A1207 HydrophobicContact CG-CB 4.28Å; W1205-A1207 HydrophobicContact CZ2-CB 4.19Å; W1205-A1207 PolarHBondContact O-N 3.22Å; A1207-V1228 CarbonylContact O-C 3.55Å; A1207-V1228 WeakPolarHBondContact O-CA 3.21Å; A1207-S1229 PolarHBondContact O-N 2.83Å; A1207-L1232 HydrophobicContact CB-CB 4.29Å; A1207-L1232 HydrophobicContact CB-CD2 3.83Å; A1207-F1306 HydrophobicContact CB-CB 3.77Å; A1207-G1307 VanDerWaalsContact CA-O 3.23Å; A1207-G1307 WeakPolarHBondContact CA-O 3.31Å; A1207-G1307 PolarHBondContact N-O 2.83Å; A1207-G1307 VanDerWaalsContact N-O 3.12Å
1208V90.4Very high82.5Confident21 Ų2149 Ų4913%0.12726%0.257CS..BIsolated β-bridgetrans-110133174.6-172.40000110.1W1205 T1206 V1226 L1232 M1334 L1337W1205-V1208 HydrophobicContact CE3-CG2 4.14Å; W1205-V1208 PolarHBondContact O-N 2.92Å; T1206-V1208 PolarHBondContact O-N 2.84Å; V1208-V1226 HydrophobicContact CG1-CB 4.05Å; V1208-V1226 HydrophobicContact CG1-CG1 4.29Å; V1208-V1226 HydrophobicContact CG1-CG2 4.27Å; V1208-L1232 HydrophobicContact CG2-CD2 3.94Å; V1208-M1334 HydrophobicContact CG2-CE 4.46Å; V1208-M1334 HydrophobicContact CG2-SD 3.96Å; V1208-L1337 HydrophobicContact CG1-CD1 3.95Å; V1208-L1337 HydrophobicContact CG1-CD2 3.89Å
1209G86.9Confident84Confident17 Ų1746.1 Ų46.118%0.17524%0.242CC..  trans-82140.5-178.900000112.4Q1227 A1309G1209-Q1227 PolarHBondContact N-O 3.31Å; G1209-A1309 VanDerWaalsContact N-CB 3.28Å
1210Y84.7Confident85.6Confident86 Ų8644.2 Ų44.234%0.33723%0.233SC..SBendtrans-125.6143.5177.2-173.6-80.4000111.3R1204R1204-Y1210 VanDerWaalsContact NH1-CE1 3.27Å
1211P84.1Confident87.1Confident27 Ų2739.7 Ų39.718%0.17521%0.21CC..SBendcis-74.9157.9-8.431.3-36000112.1R1193R1193-P1211 HydrophobicContact CG-CB 4.27Å; R1193-P1211 HydrophobicContact CG-CG 3.56Å
1212G89.7Confident88.8Confident0 Ų035.9 Ų35.90%018%0.178CC..  trans-72.5-178.3164.200000112.2G1194 N1195 L1225G1194-G1212 PolarHBondContact N-O 3.35Å; N1195-G1212 VanDerWaalsContact OD1-CA 3.31Å; N1195-G1212 WeakPolarHBondContact OD1-CA 3.37Å; N1195-G1212 PolarHBondContact OD1-N 2.59Å; G1212-L1225 CarbonylContact C-O 3.53Å; G1212-L1225 WeakPolarHBondContact CA-O 3.46Å
1213H94.6Very high90.5Very high15 Ų1526.5 Ų26.57%0.06914%0.135CC..EExtended strand (participates in β ladder)trans-128.1108.7177.9-56.977.1000108.2V1192 L1225V1192-H1213 CarbonylContact O-C 3.49Å; V1192-H1213 WeakPolarHBondContact O-CA 3.4Å; H1213-L1225 HydrophobicContact CB-CB 4.39Å; H1213-L1225 PolarHBondContact N-O 2.87Å; H1213-L1225 PolarHBondContact O-N 2.85Å
1214L95.6Very high91.9Very high2 Ų220.8 Ų20.81%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-77149172.1-73.9166.2000110.2T9 M386 L388 F1191 V1192 G1194 L1196 G1223 L1224T9-L1214 HydrophobicContact CG2-CD2 4.22Å; M386-L1214 HydrophobicContact CE-CB 4.25Å; L388-L1214 HydrophobicContact CD1-CD1 4.49Å; F1191-L1214 CarbonylContact C-O 3.51Å; F1191-L1214 WeakPolarHBondContact CA-O 3.27Å; V1192-L1214 PolarHBondContact N-O 3.34Å; V1192-L1214 PolarHBondContact O-N 3.11Å; G1194-L1214 WeakPolarHBondContact O-CD1 3.27Å; G1194-L1214 WeakPolarHBondContact O-CG 3.37Å; L1196-L1214 HydrophobicContact CG-CD1 4.26Å; L1214-G1223 CarbonylContact C-O 3.34Å; L1214-G1223 VanDerWaalsContact CA-O 3.28Å; L1214-G1223 WeakPolarHBondContact CA-O 3.43Å; L1214-L1224 HydrophobicContact CD2-CB 4.12Å; L1214-L1224 HydrophobicContact CD2-CD1 4.04Å; L1214-L1224 HydrophobicContact CG-CD1 4.2Å
1215Y97.5Very high92.8Very high8 Ų817.3 Ų17.33%0.03110%0.095CC..EExtended strand (participates in β ladder)trans-135.2148.3171.773.4-104.5000112.3H6 L1061 V1188 V1190 F1191 T1217 L1222 G1223H6-Y1215 AromaticContact CD2-CE1 3.83Å; H6-Y1215 AromaticContact NE2-CE1 3.71Å; H6-Y1215 AromaticContact NE2-CZ 3.7Å; H6-Y1215 PolarHBondContact NE2-OH 2.99Å; L1061-Y1215 HydrophobicContact CD1-CE1 4.11Å; V1188-Y1215 HydrophobicContact CB-CD2 4.38Å; V1188-Y1215 HydrophobicContact CG1-CD2 3.67Å; V1188-Y1215 HydrophobicContact CG1-CG 3.89Å; V1188-Y1215 HydrophobicContact CG2-CD2 3.83Å; V1188-Y1215 HydrophobicContact CG2-CE2 3.99Å; V1188-Y1215 HydrophobicContact CG2-CG 4.48Å; V1190-Y1215 CarbonylContact O-C 3.47Å; V1190-Y1215 WeakPolarHBondContact O-CA 3.42Å; V1190-Y1215 WeakPolarHBondContact O-CB 3.35Å; F1191-Y1215 HydrophobicContact CE1-CD1 4.44Å; F1191-Y1215 HydrophobicContact CE1-CG 4.32Å; Y1215-T1217 HydrophobicContact CD2-CG2 3.73Å; Y1215-T1217 HydrophobicContact CE2-CG2 3.54Å; Y1215-L1222 WeakPolarHBondContact O-CA 3.39Å; Y1215-G1223 WeakPolarHBondContact CD1-O 3.43Å; Y1215-G1223 PolarHBondContact N-O 3.34Å; Y1215-G1223 PolarHBondContact O-N 3.44Å; Y1215-G1223 VanDerWaalsContact O-N 3.12Å
1216G97.6Very high93.3Very high0 Ų015.7 Ų15.70%09%0.089CC..EExtended strand (participates in β ladder)trans-114.8145.1178.200000112N1189 V1190N1189-G1216 PolarHBondContact N-O 2.81Å; V1190-G1216 PolarHBondContact O-N 3.47Å
1217T97.8Very high93.5Very high1 Ų114.3 Ų14.31%0.0068%0.077CC..EExtended strand (participates in β ladder)trans-124.7165.6-171.164.70000114.1I383 D1186 F1187 V1188 Y1215 N1219 G1220 G1221I383-T1217 PolarHBondContact N-O 2.87Å; D1186-T1217 HydrophobicContact CB-CG2 3.93Å; F1187-T1217 CarbonylContact O-C 3.55Å; F1187-T1217 WeakPolarHBondContact O-CA 3.43Å; F1187-T1217 WeakPolarHBondContact O-CB 3.44Å; V1188-T1217 HydrophobicContact CG2-CG2 4.28Å; Y1215-T1217 HydrophobicContact CD2-CG2 3.73Å; Y1215-T1217 HydrophobicContact CE2-CG2 3.54Å; T1217-N1219 VanDerWaalsContact C-N 3.34Å; T1217-N1219 PolarHBondContact O-N 3.37Å; T1217-G1220 PolarHBondContact O-N 2.89Å; T1217-G1221 PolarHBondContact N-O 3.35Å; T1217-G1221 VanDerWaalsContact N-O 3.17Å; T1217-G1221 VanDerWaalsContact OG1-CA 3.26Å; T1217-G1221 WeakPolarHBondContact OG1-CA 3.48Å; T1217-G1221 PolarHBondContact OG1-N 3.37Å; T1217-G1221 PolarHBondContact OG1-O 2.98Å
1218V96.8Very high93.6Very high50 Ų5014.4 Ų14.430%0.3038%0.077SC..THydrogen-bonded Turntrans-64-34.3177.3173.50000112.7P382 F1187 N1189 G1220P382-V1218 WeakPolarHBondContact CA-O 3.49Å; P382-V1218 HydrophobicContact CB-CG1 4.33Å; F1187-V1218 HydrophobicContact CB-CB 4.21Å; F1187-V1218 HydrophobicContact CB-CG2 3.86Å; F1187-V1218 HydrophobicContact CD1-CG2 3.6Å; F1187-V1218 HydrophobicContact CE1-CG2 4.44Å; F1187-V1218 HydrophobicContact CG-CG2 4Å; F1187-V1218 PolarHBondContact O-N 2.86Å; N1189-V1218 WeakPolarHBondContact ND2-CG2 3.41Å; V1218-G1220 VanDerWaalsContact C-N 3.27Å; V1218-G1220 PolarHBondContact O-N 3.16Å
1219N96.8Very high93.7Very high19 Ų1913.4 Ų13.410%0.1027%0.072CC..THydrogen-bonded Turntrans-88.612.1178.8-58.6-79.7000113.6P12 T13 A14 N36 D1186 T1217 G1221P12-N1219 CarbonylContact C-O 3.57Å; P12-N1219 WeakPolarHBondContact CA-O 3.31Å; P12-N1219 HydrophobicContact CB-CB 3.93Å; T13-N1219 PolarHBondContact N-O 2.87Å; A14-N1219 HydrophobicContact CB-CB 4.02Å; A14-N1219 WeakPolarHBondContact CB-O 3.47Å; A14-N1219 PolarHBondContact N-O 3.33Å; N36-N1219 HydrophobicContact CB-CB 4.3Å; D1186-N1219 PolarHBondContact OD1-ND2 3.39Å; D1186-N1219 WeakPolarHBondContact OD2-CB 3.46Å; D1186-N1219 PolarHBondContact OD2-ND2 3.08Å; T1217-N1219 VanDerWaalsContact C-N 3.34Å; T1217-N1219 PolarHBondContact O-N 3.37Å; N1219-G1221 VanDerWaalsContact C-N 3.3Å; N1219-G1221 PolarHBondContact O-N 2.89Å
1220G96.1Very high93.9Very high0 Ų012.8 Ų12.80%07%0.065CC..SBendtrans74.815.9-179.400000114.5I380 G381 T1217 V1218I380-G1220 VanDerWaalsContact CD1-O 3.26Å; I380-G1220 WeakPolarHBondContact CD1-O 3.35Å; I380-G1220 WeakPolarHBondContact CG1-O 3.35Å; G381-G1220 VanDerWaalsContact CA-CA 3.45Å; T1217-G1220 PolarHBondContact O-N 2.89Å; V1218-G1220 VanDerWaalsContact C-N 3.27Å; V1218-G1220 PolarHBondContact O-N 3.16Å
1221G94.7Very high94.3Very high4 Ų48.8 Ų8.84%0.0415%0.049CC..  trans-75.8141.9166.300000111.6Q10 T1217 N1219Q10-G1221 CarbonylContact O-C 3.55Å; Q10-G1221 VanDerWaalsContact O-CA 3.23Å; Q10-G1221 WeakPolarHBondContact O-CA 3.36Å; T1217-G1221 PolarHBondContact N-O 3.35Å; T1217-G1221 VanDerWaalsContact N-O 3.17Å; T1217-G1221 VanDerWaalsContact OG1-CA 3.26Å; T1217-G1221 WeakPolarHBondContact OG1-CA 3.48Å; T1217-G1221 PolarHBondContact OG1-N 3.37Å; T1217-G1221 PolarHBondContact OG1-O 2.98Å; N1219-G1221 VanDerWaalsContact C-N 3.3Å; N1219-G1221 PolarHBondContact O-N 2.89Å
1222L95.8Very high94.8Very high1 Ų17.5 Ų7.51%0.0054%0.041CC..EExtended strand (participates in β ladder)trans-110.5138.7165-63.4172000109T8 T9 Q10 I380 I383 M386 L397 I412 Y1215T8-L1222 CarbonylContact C-O 3.58Å; T9-L1222 PolarHBondContact N-O 2.84Å; T9-L1222 VanDerWaalsContact OG1-CB 3.24Å; T9-L1222 WeakPolarHBondContact OG1-CB 3.33Å; T9-L1222 PolarHBondContact OG1-O 2.8Å; Q10-L1222 HydrophobicContact CB-CB 3.82Å; Q10-L1222 HydrophobicContact CB-CD1 4.05Å; Q10-L1222 HydrophobicContact CB-CG 4.02Å; Q10-L1222 PolarHBondContact N-O 3.29Å; Q10-L1222 VanDerWaalsContact N-O 3.12Å; Q10-L1222 PolarHBondContact O-N 3.25Å; I380-L1222 HydrophobicContact CD1-CD1 4.24Å; I380-L1222 HydrophobicContact CD1-CG 4.13Å; I383-L1222 HydrophobicContact CD1-CD2 3.57Å; I383-L1222 HydrophobicContact CD1-CG 4.23Å; M386-L1222 HydrophobicContact SD-CD2 4.33Å; L397-L1222 HydrophobicContact CD2-CD1 3.92Å; L397-L1222 HydrophobicContact CD2-CD2 3.74Å; I412-L1222 HydrophobicContact CD1-CD1 3.93Å; I412-L1222 HydrophobicContact CG2-CD1 4.34Å; Y1215-L1222 WeakPolarHBondContact O-CA 3.39Å
1223G95.5Very high95Very high0 Ų07.5 Ų7.50%04%0.041CC..EExtended strand (participates in β ladder)trans-131.8158.6170.600000112.5V7 L1214 Y1215V7-G1223 CarbonylContact O-C 3.45Å; V7-G1223 VanDerWaalsContact O-CA 3.23Å; V7-G1223 WeakPolarHBondContact O-CA 3.13Å; L1214-G1223 CarbonylContact C-O 3.34Å; L1214-G1223 VanDerWaalsContact CA-O 3.28Å; L1214-G1223 WeakPolarHBondContact CA-O 3.43Å; Y1215-G1223 WeakPolarHBondContact CD1-O 3.43Å; Y1215-G1223 PolarHBondContact N-O 3.34Å; Y1215-G1223 PolarHBondContact O-N 3.44Å; Y1215-G1223 VanDerWaalsContact O-N 3.12Å
1224L95.2Very high95Very high1 Ų17.4 Ų7.41%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-119134.2-179.517765.5000109.5H6 V7 T9 L1214 V1226 L1337 H1338H6-L1224 WeakPolarHBondContact CA-O 3.39Å; V7-L1224 HydrophobicContact CG1-CB 4.03Å; V7-L1224 HydrophobicContact CG1-CD2 4.43Å; V7-L1224 PolarHBondContact N-O 2.99Å; V7-L1224 PolarHBondContact O-N 2.93Å; T9-L1224 HydrophobicContact CG2-CB 3.52Å; L1214-L1224 HydrophobicContact CD2-CB 4.12Å; L1214-L1224 HydrophobicContact CD2-CD1 4.04Å; L1214-L1224 HydrophobicContact CG-CD1 4.2Å; L1224-V1226 HydrophobicContact CD1-CG1 4.41Å; L1224-V1226 HydrophobicContact CD2-CG1 4.43Å; L1224-V1226 HydrophobicContact CG-CG1 4.33Å; L1224-L1337 HydrophobicContact CD2-CB 4.01Å; L1224-L1337 WeakPolarHBondContact CD2-O 3.29Å; L1224-H1338 HydrophobicContact CD2-CB 4.25Å
1225L95.3Very high95Very high1 Ų17.3 Ų7.31%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-115.3121.8170.2-170.673.7000110F4 H6 L1053 G1212 H1213 F1273F4-L1225 HydrophobicContact CB-CD1 3.64Å; F4-L1225 HydrophobicContact CB-CG 4.31Å; F4-L1225 HydrophobicContact CD1-CD1 4.29Å; F4-L1225 HydrophobicContact CD1-CD2 4.15Å; F4-L1225 HydrophobicContact CD1-CG 4.06Å; F4-L1225 HydrophobicContact CG-CD1 4.06Å; F4-L1225 HydrophobicContact CG-CD2 4.44Å; F4-L1225 HydrophobicContact CG-CG 4.32Å; H6-L1225 HydrophobicContact CB-CD1 4.3Å; L1053-L1225 HydrophobicContact CD1-CD2 3.78Å; L1053-L1225 HydrophobicContact CD2-CD2 3.68Å; L1053-L1225 HydrophobicContact CG-CD2 4.34Å; G1212-L1225 CarbonylContact C-O 3.53Å; G1212-L1225 WeakPolarHBondContact CA-O 3.46Å; H1213-L1225 HydrophobicContact CB-CB 4.39Å; H1213-L1225 PolarHBondContact N-O 2.87Å; H1213-L1225 PolarHBondContact O-N 2.85Å; L1225-F1273 HydrophobicContact CD1-CD1 4.13Å; L1225-F1273 HydrophobicContact CD1-CE1 3.34Å; L1225-F1273 HydrophobicContact CD1-CZ 3.97Å
1226V93.7Very high94.9Very high1 Ų16.9 Ų6.91%0.0064%0.04CC..EExtended strand (participates in β ladder)trans-124.4140.4174.5-83.30000110.4F4 Y5 V1208 L1224 L1337F4-V1226 WeakPolarHBondContact CA-O 3.5Å; Y5-V1226 HydrophobicContact CD1-CG2 3.96Å; Y5-V1226 HydrophobicContact CG-CG2 4.48Å; Y5-V1226 PolarHBondContact N-O 2.98Å; Y5-V1226 PolarHBondContact O-N 2.97Å; V1208-V1226 HydrophobicContact CG1-CB 4.05Å; V1208-V1226 HydrophobicContact CG1-CG1 4.29Å; V1208-V1226 HydrophobicContact CG1-CG2 4.27Å; L1224-V1226 HydrophobicContact CD1-CG1 4.41Å; L1224-V1226 HydrophobicContact CD2-CG1 4.43Å; L1224-V1226 HydrophobicContact CG-CG1 4.33Å; V1226-L1337 HydrophobicContact CG2-CD1 4.1Å
1227Q93.1Very high94.7Very high46 Ų469.2 Ų9.222%0.2155%0.05CC..EExtended strand (participates in β ladder)trans-75.9142.5171.8-166.9175.414.600109M1 H3 F4 G1209M1-Q1227 PolarHBondContact O-NE2 3.29Å; H3-Q1227 CarbonylContact O-C 3.52Å; H3-Q1227 WeakPolarHBondContact O-CA 3.49Å; F4-Q1227 HydrophobicContact CD1-CB 4.27Å; F4-Q1227 HydrophobicContact CE1-CB 4.19Å; F4-Q1227 HydrophobicContact CE1-CG 4.26Å; G1209-Q1227 PolarHBondContact N-O 3.31Å
1228V93.9Very high94.6Very high2 Ų211.3 Ų11.31%0.0126%0.06CC..BIsolated β-bridgetrans-123.7164.8178.8-70.60000111.4H3 A1207 L1232 F1233 M1334H3-V1228 HydrophobicContact CB-CG2 4.12Å; H3-V1228 PolarHBondContact O-N 3.02Å; A1207-V1228 CarbonylContact O-C 3.55Å; A1207-V1228 WeakPolarHBondContact O-CA 3.21Å; V1228-L1232 HydrophobicContact CB-CD2 4.26Å; V1228-L1232 HydrophobicContact CG1-CD2 4.04Å; V1228-F1233 HydrophobicContact CG2-CB 3.91Å; V1228-F1233 HydrophobicContact CG2-CD2 4.07Å; V1228-M1334 HydrophobicContact CG1-CE 4.39Å
1229S93Very high94.5Very high1 Ų18.9 Ų8.91%0.0075%0.045CC..  trans-71.7157173.675.20000111.6A1207 V1231 L1232 F1233 F1306 T1308A1207-S1229 PolarHBondContact O-N 2.83Å; S1229-V1231 VanDerWaalsContact C-N 3.27Å; S1229-V1231 PolarHBondContact O-N 2.77Å; S1229-L1232 PolarHBondContact O-N 3.09Å; S1229-L1232 VanDerWaalsContact OG-CB 3.28Å; S1229-L1232 WeakPolarHBondContact OG-CB 3.38Å; S1229-L1232 PolarHBondContact OG-N 3.24Å; S1229-L1232 VanDerWaalsContact OG-N 3.12Å; S1229-F1233 WeakPolarHBondContact O-CB 3.45Å; S1229-F1233 PolarHBondContact O-N 2.91Å; S1229-F1306 WeakPolarHBondContact CB-O 3.25Å; S1229-F1306 PolarHBondContact OG-O 3.2Å; S1229-T1308 WeakPolarHBondContact CB-O 3.48Å
1230P91.3Very high94.5Very high4 Ų48.4 Ų8.43%0.0264%0.042CC..Hα-helixtrans-57.2-36.3175.5-27.336.2000114.8P1075 F1077 A1234 S1311 C1313P1075-P1230 HydrophobicContact CB-CB 4Å; P1075-P1230 HydrophobicContact CG-CB 4.13Å; P1075-P1230 WeakPolarHBondContact CG-O 3.46Å; F1077-P1230 HydrophobicContact CE2-CB 4.14Å; F1077-P1230 HydrophobicContact CZ-CB 4.37Å; P1230-A1234 WeakPolarHBondContact O-CB 3.32Å; P1230-A1234 PolarHBondContact O-N 2.91Å; P1230-A1234 VanDerWaalsContact O-N 3.08Å; P1230-S1311 WeakPolarHBondContact CD-O 3.19Å; P1230-S1311 VanDerWaalsContact CG-O 3.25Å; P1230-S1311 WeakPolarHBondContact CG-O 3.44Å; P1230-C1313 HydrophobicContact CB-CB 4.36Å; P1230-C1313 HydrophobicContact CG-CB 4.3Å
1231V92.8Very high94.4Very high1 Ų113.6 Ų13.61%0.0067%0.065CC..Hα-helixtrans-73.3-43.9179.9178.40000111F1077 S1229 A1234 F1235 P1300 F1306 P1317F1077-V1231 HydrophobicContact CE2-CG2 3.98Å; F1077-V1231 HydrophobicContact CZ-CG2 3.96Å; S1229-V1231 VanDerWaalsContact C-N 3.27Å; S1229-V1231 PolarHBondContact O-N 2.77Å; V1231-A1234 PolarHBondContact O-N 3.07Å; V1231-F1235 WeakPolarHBondContact O-CB 3.35Å; V1231-F1235 PolarHBondContact O-N 2.85Å; V1231-P1300 HydrophobicContact CG1-CG 3.87Å; V1231-F1306 HydrophobicContact CG1-CD1 4.12Å; V1231-P1317 HydrophobicContact CG1-CG 3.89Å; V1231-P1317 HydrophobicContact CG2-CG 4.36Å
1232L94.1Very high94.4Very high0 Ų015.8 Ų15.80%07%0.072CC..Hα-helixtrans-66-41.3176.9-177.859.4000111.3W1205 A1207 V1208 V1228 S1229 F1235 L1236 F1306 V1330 M1334W1205-L1232 HydrophobicContact CE3-CD2 4.49Å; W1205-L1232 HydrophobicContact CH2-CD1 3.64Å; W1205-L1232 HydrophobicContact CH2-CD2 4.17Å; W1205-L1232 HydrophobicContact CZ2-CD1 4.41Å; W1205-L1232 HydrophobicContact CZ3-CD1 4.11Å; W1205-L1232 HydrophobicContact CZ3-CD2 4.04Å; A1207-L1232 HydrophobicContact CB-CB 4.29Å; A1207-L1232 HydrophobicContact CB-CD2 3.83Å; V1208-L1232 HydrophobicContact CG2-CD2 3.94Å; V1228-L1232 HydrophobicContact CB-CD2 4.26Å; V1228-L1232 HydrophobicContact CG1-CD2 4.04Å; S1229-L1232 PolarHBondContact O-N 3.09Å; S1229-L1232 VanDerWaalsContact OG-CB 3.28Å; S1229-L1232 WeakPolarHBondContact OG-CB 3.38Å; S1229-L1232 PolarHBondContact OG-N 3.24Å; S1229-L1232 VanDerWaalsContact OG-N 3.12Å; L1232-F1235 PolarHBondContact O-N 2.73Å; L1232-L1236 HydrophobicContact CD1-CD1 3.86Å; L1232-L1236 HydrophobicContact CD1-CD2 4.49Å; L1232-L1236 HydrophobicContact CD1-CG 3.9Å; L1232-L1236 HydrophobicContact CG-CD1 3.87Å; L1232-L1236 HydrophobicContact CG-CG 4.3Å; L1232-L1236 WeakPolarHBondContact O-CB 3.2Å; L1232-L1236 WeakPolarHBondContact O-CG 3.38Å; L1232-L1236 PolarHBondContact O-N 3.05Å; L1232-F1306 HydrophobicContact CB-CD1 3.87Å; L1232-F1306 HydrophobicContact CD1-CD1 3.74Å; L1232-F1306 HydrophobicContact CD1-CE1 3.78Å; L1232-F1306 HydrophobicContact CG-CD1 4.41Å; L1232-V1330 HydrophobicContact CD1-CG1 4.32Å; L1232-M1334 HydrophobicContact CD2-SD 4.15Å
1233F94.6Very high94.3Very high1 Ų115.7 Ų15.70%0.0047%0.072CC..Hα-helixtrans-56-53.6172.9-177.1-90.9000111.5H3 E1074 P1075 V1228 S1229 F1235 L1236 K1237 N1272 V1274H3-F1233 HydrophobicContact CB-CB 4.12Å; H3-F1233 HydrophobicContact CB-CD2 3.76Å; H3-F1233 HydrophobicContact CB-CE2 4.42Å; H3-F1233 HydrophobicContact CB-CG 3.96Å; H3-F1233 AromaticContact CD2-CG 3.99Å; E1074-F1233 HydrophobicContact CB-CE1 4.37Å; E1074-F1233 HydrophobicContact CG-CE1 3.92Å; E1074-F1233 HydrophobicContact CG-CZ 4.21Å; P1075-F1233 HydrophobicContact CG-CB 4.48Å; P1075-F1233 HydrophobicContact CG-CD1 3.7Å; P1075-F1233 HydrophobicContact CG-CE1 4.48Å; P1075-F1233 HydrophobicContact CG-CG 4.46Å; V1228-F1233 HydrophobicContact CG2-CB 3.91Å; V1228-F1233 HydrophobicContact CG2-CD2 4.07Å; S1229-F1233 WeakPolarHBondContact O-CB 3.45Å; S1229-F1233 PolarHBondContact O-N 2.91Å; F1233-F1235 VanDerWaalsContact C-N 3.33Å; F1233-F1235 PolarHBondContact O-N 3.18Å; F1233-L1236 PolarHBondContact O-N 3.2Å; F1233-K1237 HydrophobicContact CE1-CB 4.28Å; F1233-K1237 HydrophobicContact CE1-CG 4.24Å; F1233-K1237 HydrophobicContact CZ-CD 4.43Å; F1233-K1237 HydrophobicContact CZ-CG 4.44Å; F1233-K1237 VanDerWaalsContact O-CB 3.23Å; F1233-K1237 WeakPolarHBondContact O-CB 3.44Å; F1233-K1237 PolarHBondContact O-N 3Å; F1233-N1272 VanDerWaalsContact CE2-C 3.43Å; F1233-V1274 HydrophobicContact CD2-CG2 3.79Å; F1233-V1274 HydrophobicContact CE2-CG2 3.73Å; F1233-V1274 HydrophobicContact CZ-CG2 4.43Å
1234A93.5Very high94.1Very high12 Ų1217 Ų1710%0.0998%0.081CC..Hα-helixtrans-62.6-38.5-178.300000112.9P1075 F1077 L1080 P1230 V1231 E1238P1075-A1234 HydrophobicContact CG-CB 4.44Å; F1077-A1234 HydrophobicContact CD2-CB 3.76Å; F1077-A1234 HydrophobicContact CE2-CB 4.43Å; L1080-A1234 HydrophobicContact CD1-CB 3.83Å; P1230-A1234 WeakPolarHBondContact O-CB 3.32Å; P1230-A1234 PolarHBondContact O-N 2.91Å; P1230-A1234 VanDerWaalsContact O-N 3.08Å; V1231-A1234 PolarHBondContact O-N 3.07Å; A1234-E1238 PolarHBondContact O-N 2.7Å
1235F95.1Very high93.9Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-63.9-50.7174.7176.8-96.5000111.6L1080 V1231 L1232 F1233 K1237 E1238 V1239 L1297 I1299 F1306 L1327 V1330L1080-F1235 HydrophobicContact CD1-CB 4.22Å; V1231-F1235 WeakPolarHBondContact O-CB 3.35Å; V1231-F1235 PolarHBondContact O-N 2.85Å; L1232-F1235 PolarHBondContact O-N 2.73Å; F1233-F1235 VanDerWaalsContact C-N 3.33Å; F1233-F1235 PolarHBondContact O-N 3.18Å; F1235-K1237 VanDerWaalsContact C-N 3.32Å; F1235-K1237 PolarHBondContact O-N 2.82Å; F1235-E1238 PolarHBondContact O-N 2.92Å; F1235-V1239 HydrophobicContact CD1-CG2 4.47Å; F1235-V1239 HydrophobicContact CE1-CG2 4.13Å; F1235-V1239 HydrophobicContact CZ-CG2 4.28Å; F1235-V1239 WeakPolarHBondContact O-CG2 3.47Å; F1235-V1239 PolarHBondContact O-N 3.2Å; F1235-V1239 VanDerWaalsContact O-N 3.12Å; F1235-L1297 HydrophobicContact CD2-CD1 4.5Å; F1235-L1297 HydrophobicContact CE2-CD1 4.31Å; F1235-L1297 HydrophobicContact CE2-CD2 3.9Å; F1235-L1297 HydrophobicContact CE2-CG 4.05Å; F1235-L1297 HydrophobicContact CZ-CD2 4.12Å; F1235-I1299 HydrophobicContact CE2-CB 4.04Å; F1235-I1299 HydrophobicContact CE2-CD1 4.4Å; F1235-I1299 HydrophobicContact CE2-CG1 3.97Å; F1235-I1299 HydrophobicContact CZ-CD1 4.19Å; F1235-I1299 HydrophobicContact CZ-CG1 4.25Å; F1235-F1306 HydrophobicContact CB-CE1 3.96Å; F1235-F1306 AromaticContact CD1-CE1 3.97Å; F1235-F1306 HydrophobicContact CD1-CE1 3.97Å; F1235-F1306 HydrophobicContact CD1-CZ 4.31Å; F1235-F1306 AromaticContact CG-CE1 3.91Å; F1235-F1306 HydrophobicContact CG-CE1 3.91Å; F1235-F1306 HydrophobicContact CG-CZ 4.37Å; F1235-L1327 HydrophobicContact CE1-CD1 4.25Å; F1235-L1327 HydrophobicContact CZ-CD1 4.17Å; F1235-V1330 HydrophobicContact CD1-CG1 4.4Å; F1235-V1330 HydrophobicContact CE1-CB 4.34Å; F1235-V1330 HydrophobicContact CE1-CG1 3.97Å; F1235-V1330 HydrophobicContact CE1-CG2 4.32Å
1236L95.8Very high93.7Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-67.2-32.6180-66.8176.1000112.3Y5 L1232 F1233 V1239 E1240 V1274 I1279 V1330 M1334Y5-L1236 HydrophobicContact CD2-CD1 3.98Å; Y5-L1236 HydrophobicContact CE2-CD1 4.35Å; L1232-L1236 HydrophobicContact CD1-CD1 3.86Å; L1232-L1236 HydrophobicContact CD1-CD2 4.49Å; L1232-L1236 HydrophobicContact CD1-CG 3.9Å; L1232-L1236 HydrophobicContact CG-CD1 3.87Å; L1232-L1236 HydrophobicContact CG-CG 4.3Å; L1232-L1236 WeakPolarHBondContact O-CB 3.2Å; L1232-L1236 WeakPolarHBondContact O-CG 3.38Å; L1232-L1236 PolarHBondContact O-N 3.05Å; F1233-L1236 PolarHBondContact O-N 3.2Å; L1236-V1239 WeakPolarHBondContact O-CB 3.27Å; L1236-V1239 PolarHBondContact O-N 3.17Å; L1236-E1240 WeakPolarHBondContact O-CB 3.29Å; L1236-E1240 PolarHBondContact O-N 2.89Å; L1236-V1274 HydrophobicContact CB-CG1 3.9Å; L1236-V1274 HydrophobicContact CB-CG2 4.07Å; L1236-I1279 HydrophobicContact CD2-CD1 4.48Å; L1236-I1279 HydrophobicContact CD2-CG2 4.27Å; L1236-V1330 HydrophobicContact CD2-CG1 4.12Å; L1236-M1334 HydrophobicContact CD1-CE 4.13Å; L1236-M1334 HydrophobicContact CD1-CG 4.48Å; L1236-M1334 HydrophobicContact CD1-SD 4.42Å
1237K94.5Very high93.3Very high48 Ų4827.3 Ų27.321%0.20914%0.138CC..Hα-helixtrans-66.9-36.9177.7-164.853.8166.2-176.10112.4F1233 F1235 E1240 F1241 F1273 V1274F1233-K1237 HydrophobicContact CE1-CB 4.28Å; F1233-K1237 HydrophobicContact CE1-CG 4.24Å; F1233-K1237 HydrophobicContact CZ-CD 4.43Å; F1233-K1237 HydrophobicContact CZ-CG 4.44Å; F1233-K1237 VanDerWaalsContact O-CB 3.23Å; F1233-K1237 WeakPolarHBondContact O-CB 3.44Å; F1233-K1237 PolarHBondContact O-N 3Å; F1235-K1237 VanDerWaalsContact C-N 3.32Å; F1235-K1237 PolarHBondContact O-N 2.82Å; K1237-E1240 WeakPolarHBondContact CD-OE2 3.37Å; K1237-E1240 WeakPolarHBondContact CE-OE2 3.42Å; K1237-E1240 IonicContact NZ-OE1 3.54Å; K1237-E1240 IonicContact NZ-OE2 2.69Å; K1237-E1240 PolarHBondContact NZ-OE2 2.85Å; K1237-F1241 WeakPolarHBondContact O-CB 3.39Å; K1237-F1241 PolarHBondContact O-N 3.36Å; K1237-F1273 PolarHBondContact NZ-O 2.87Å; K1237-V1274 HydrophobicContact CB-CG2 4.44Å; K1237-V1274 HydrophobicContact CD-CG2 4.43Å
1238E94.6Very high92.9Very high45 Ų4530 Ų3021%0.2116%0.157CC..Hα-helixtrans-67.6-38.5170.7175.565-168.400111.7L1081 A1234 F1235 F1241 R1242 L1297L1081-E1238 HydrophobicContact CD2-CG 4.11Å; L1081-E1238 WeakPolarHBondContact CD2-OE1 3.42Å; A1234-E1238 PolarHBondContact O-N 2.7Å; F1235-E1238 PolarHBondContact O-N 2.92Å; E1238-F1241 PolarHBondContact O-N 2.92Å; E1238-R1242 VanDerWaalsContact O-CG 3.28Å; E1238-R1242 WeakPolarHBondContact O-CG 3.45Å; E1238-R1242 PolarHBondContact O-N 2.8Å; E1238-R1242 IonicContact OE1-CZ 3.84Å; E1238-R1242 IonicContact OE1-NE 2.86Å; E1238-R1242 PolarHBondContact OE1-NE 2.8Å; E1238-R1242 IonicContact OE1-NH2 3.31Å; E1238-R1242 PolarHBondContact OE1-NH2 2.84Å; E1238-L1297 HydrophobicContact CB-CD1 4.43Å; E1238-L1297 HydrophobicContact CG-CD1 3.62Å
1239V95.7Very high92.6Very high0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-64.8-44.5174.3172.70000111.1F1235 L1236 F1241 R1242 L1243 I1279 V1282 L1293 L1297 L1327F1235-V1239 HydrophobicContact CD1-CG2 4.47Å; F1235-V1239 HydrophobicContact CE1-CG2 4.13Å; F1235-V1239 HydrophobicContact CZ-CG2 4.28Å; F1235-V1239 WeakPolarHBondContact O-CG2 3.47Å; F1235-V1239 PolarHBondContact O-N 3.2Å; F1235-V1239 VanDerWaalsContact O-N 3.12Å; L1236-V1239 WeakPolarHBondContact O-CB 3.27Å; L1236-V1239 PolarHBondContact O-N 3.17Å; V1239-F1241 PolarHBondContact O-N 2.97Å; V1239-R1242 PolarHBondContact O-N 2.69Å; V1239-L1243 HydrophobicContact CG1-CD1 3.85Å; V1239-L1243 HydrophobicContact CG1-CG 4.46Å; V1239-L1243 VanDerWaalsContact O-CG 3.31Å; V1239-L1243 WeakPolarHBondContact O-CG 3.38Å; V1239-L1243 PolarHBondContact O-N 2.73Å; V1239-I1279 HydrophobicContact CB-CD1 4.03Å; V1239-I1279 HydrophobicContact CG1-CD1 3.66Å; V1239-V1282 HydrophobicContact CG1-CG2 4.4Å; V1239-L1293 HydrophobicContact CG1-CD2 3.99Å; V1239-L1297 HydrophobicContact CG2-CD2 3.86Å; V1239-L1327 HydrophobicContact CG1-CD1 4.08Å; V1239-L1327 HydrophobicContact CG2-CD1 3.82Å
1240E95.6Very high92.4Very high8 Ų832.5 Ų32.54%0.03717%0.173CC..Hα-helixtrans-56.9-48.4174.9-171.1-175.8-161.500111.1L1236 K1237 R1242 L1243 S1244 H1255 D1275 L1278 I1279L1236-E1240 WeakPolarHBondContact O-CB 3.29Å; L1236-E1240 PolarHBondContact O-N 2.89Å; K1237-E1240 WeakPolarHBondContact CD-OE2 3.37Å; K1237-E1240 WeakPolarHBondContact CE-OE2 3.42Å; K1237-E1240 IonicContact NZ-OE1 3.54Å; K1237-E1240 IonicContact NZ-OE2 2.69Å; K1237-E1240 PolarHBondContact NZ-OE2 2.85Å; E1240-R1242 VanDerWaalsContact C-N 3.35Å; E1240-R1242 PolarHBondContact O-N 3.1Å; E1240-L1243 PolarHBondContact O-N 2.82Å; E1240-S1244 PolarHBondContact O-N 2.93Å; E1240-S1244 PolarHBondContact O-OG 3.15Å; E1240-H1255 IonicContact OE1-CE1 2.72Å; E1240-H1255 PolarHBondContact OE1-CE1 2.93Å; E1240-D1275 WeakPolarHBondContact OE1-CB 3.5Å; E1240-D1275 PolarHBondContact OE1-N 2.85Å; E1240-L1278 HydrophobicContact CG-CD2 4.07Å; E1240-I1279 HydrophobicContact CB-CD1 4.1Å
1241F94.4Very high92.2Very high110 Ų11032.3 Ų32.348%0.48217%0.172SC..Hα-helixtrans-62.4-37.5176.3176.1-104.4000112.9K1237 E1238 V1239 S1244 N1245K1237-F1241 WeakPolarHBondContact O-CB 3.39Å; K1237-F1241 PolarHBondContact O-N 3.36Å; E1238-F1241 PolarHBondContact O-N 2.92Å; V1239-F1241 PolarHBondContact O-N 2.97Å; F1241-S1244 PolarHBondContact O-OG 3.09Å; F1241-S1244 VanDerWaalsContact O-OG 3.11Å; F1241-N1245 WeakPolarHBondContact CE2-ND2 3.41Å; F1241-N1245 WeakPolarHBondContact CZ-ND2 3.44Å; F1241-N1245 PolarHBondContact O-N 3.23Å; F1241-N1245 PolarHBondContact O-ND2 3.28Å
1242R94.7Very high92Very high49 Ų4933.8 Ų33.819%0.18519%0.187CC..Hα-helixtrans-68.8-38.5175.1-71.6171.2-176.8-123.5-5.4112E1238 V1239 E1240 L1246 L1293 K1295E1238-R1242 VanDerWaalsContact O-CG 3.28Å; E1238-R1242 WeakPolarHBondContact O-CG 3.45Å; E1238-R1242 PolarHBondContact O-N 2.8Å; E1238-R1242 IonicContact OE1-CZ 3.84Å; E1238-R1242 IonicContact OE1-NE 2.86Å; E1238-R1242 PolarHBondContact OE1-NE 2.8Å; E1238-R1242 IonicContact OE1-NH2 3.31Å; E1238-R1242 PolarHBondContact OE1-NH2 2.84Å; V1239-R1242 PolarHBondContact O-N 2.69Å; E1240-R1242 VanDerWaalsContact C-N 3.35Å; E1240-R1242 PolarHBondContact O-N 3.1Å; R1242-L1246 WeakPolarHBondContact O-CB 3.32Å; R1242-L1246 PolarHBondContact O-N 2.98Å; R1242-L1246 VanDerWaalsContact O-N 3.15Å; R1242-L1293 HydrophobicContact CB-CD1 3.78Å; R1242-L1293 HydrophobicContact CB-CG 3.99Å; R1242-L1293 WeakPolarHBondContact CD-O 3.33Å; R1242-L1293 PolarHBondContact NH1-O 2.97Å; R1242-K1295 PolarHBondContact NH1-O 3.04Å
1243L93.5Very high91.9Very high0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-66.8-44.1177.5-73.6163.4000111.9V1239 E1240 N1245 L1246 V1247 L1278 I1279 V1282 L1285 L1293V1239-L1243 HydrophobicContact CG1-CD1 3.85Å; V1239-L1243 HydrophobicContact CG1-CG 4.46Å; V1239-L1243 VanDerWaalsContact O-CG 3.31Å; V1239-L1243 WeakPolarHBondContact O-CG 3.38Å; V1239-L1243 PolarHBondContact O-N 2.73Å; E1240-L1243 PolarHBondContact O-N 2.82Å; L1243-N1245 PolarHBondContact O-N 3.14Å; L1243-L1246 PolarHBondContact O-N 2.56Å; L1243-V1247 PolarHBondContact O-N 3.41Å; L1243-L1278 HydrophobicContact CB-CD1 4.07Å; L1243-L1278 HydrophobicContact CB-CD2 3.93Å; L1243-L1278 HydrophobicContact CB-CG 3.86Å; L1243-L1278 HydrophobicContact CD1-CG 4.18Å; L1243-I1279 HydrophobicContact CD1-CD1 4.13Å; L1243-V1282 HydrophobicContact CD1-CG2 3.65Å; L1243-V1282 HydrophobicContact CD2-CG2 3.8Å; L1243-V1282 HydrophobicContact CG-CG2 4.21Å; L1243-L1285 HydrophobicContact CD2-CD1 3.75Å; L1243-L1293 HydrophobicContact CD2-CD1 3.71Å; L1243-L1293 HydrophobicContact CD2-CD2 4.06Å; L1243-L1293 HydrophobicContact CG-CD1 3.91Å; L1243-L1293 HydrophobicContact CG-CD2 4.1Å
1244S91.8Very high91.7Very high28 Ų2837.7 Ų37.720%0.19621%0.21CC..Hα-helixtrans-64.4-23.9-179.568.70000113.5E1240 F1241E1240-S1244 PolarHBondContact O-N 2.93Å; E1240-S1244 PolarHBondContact O-OG 3.15Å; F1241-S1244 PolarHBondContact O-OG 3.09Å; F1241-S1244 VanDerWaalsContact O-OG 3.11Å
1245N90.7Very high91.7Very high112 Ų11237.7 Ų37.760%0.59921%0.209SC*.Hα-helixtrans-88.4-21.2172.7-74.1-71.5000114.1F1241 L1243F1241-N1245 WeakPolarHBondContact CE2-ND2 3.41Å; F1241-N1245 WeakPolarHBondContact CZ-ND2 3.44Å; F1241-N1245 PolarHBondContact O-N 3.23Å; F1241-N1245 PolarHBondContact O-ND2 3.28Å; L1243-N1245 PolarHBondContact O-N 3.14Å
1246L90.7Very high91.5Very high53 Ų5341.8 Ų41.828%0.27723%0.23SC..Hα-helixtrans-93.4-40.1-177.6-178.161.8000112.5R1242 L1243 L1285 D1289 K1292 L1293R1242-L1246 WeakPolarHBondContact O-CB 3.32Å; R1242-L1246 PolarHBondContact O-N 2.98Å; R1242-L1246 VanDerWaalsContact O-N 3.15Å; L1243-L1246 PolarHBondContact O-N 2.56Å; L1246-L1285 HydrophobicContact CD2-CD1 4.32Å; L1246-D1289 HydrophobicContact CD2-CB 4.04Å; L1246-K1292 HydrophobicContact CD1-CD 4.05Å; L1246-L1293 HydrophobicContact CB-CD1 4.49Å; L1246-L1293 HydrophobicContact CD2-CD1 3.62Å
1247V85.2Confident91.2Very high54 Ų5445.9 Ų45.933%0.32726%0.255SS..SBendtrans-93.1113.1-177-177.80000109.4L1243 P1249 L1285L1243-V1247 PolarHBondContact O-N 3.41Å; V1247-P1249 VanDerWaalsContact O-CD 3.31Å; V1247-P1249 WeakPolarHBondContact O-CD 3.31Å; V1247-L1285 HydrophobicContact CG2-CD2 4.11Å
1248V85.1Confident91Very high101 Ų10144.2 Ų44.261%0.61225%0.248SC*.  trans-81.7114.6174.1-1790000109.2F156F156-V1248 HydrophobicContact CE1-CG2 4.19Å
1249P88.1Confident91Very high27 Ų2742.7 Ų42.718%0.17524%0.24CC..  trans-75.7141.1-174.729.3-33.3000111.9N58 V1247 G1252 F1253N58-P1249 HydrophobicContact CB-CB 4.41Å; N58-P1249 WeakPolarHBondContact ND2-CB 3.48Å; V1247-P1249 VanDerWaalsContact O-CD 3.31Å; V1247-P1249 WeakPolarHBondContact O-CD 3.31Å; P1249-G1252 WeakPolarHBondContact O-CA 3.38Å; P1249-G1252 PolarHBondContact O-N 3.31Å; P1249-F1253 WeakPolarHBondContact CG-O 3.49Å
1250V88.3Confident90.9Very high30 Ų3042.8 Ų42.818%0.18224%0.241CC..THydrogen-bonded Turntrans-65.3137.3175.2-173.60000109.7V55 I57 I89 F100 G1252V55-V1250 HydrophobicContact CG1-CB 3.94Å; V55-V1250 HydrophobicContact CG1-CG1 3.74Å; V55-V1250 HydrophobicContact CG1-CG2 4.05Å; I57-V1250 HydrophobicContact CD1-CB 4.24Å; I57-V1250 HydrophobicContact CD1-CG1 4.13Å; I89-V1250 HydrophobicContact CD1-CG1 3.7Å; I89-V1250 HydrophobicContact CG1-CG1 3.94Å; I89-V1250 HydrophobicContact CG2-CG1 4Å; F100-V1250 HydrophobicContact CB-CG1 4.26Å; F100-V1250 HydrophobicContact CB-CG2 4.49Å; V1250-G1252 VanDerWaalsContact C-N 3.29Å
1251G88Confident90.6Very high0 Ų042.4 Ų42.40%024%0.239CC..THydrogen-bonded Turntrans85.5-9.4-166.900000114.3T102 S105 F1253T102-G1251 PolarHBondContact OG1-N 3.31Å; S105-G1251 WeakPolarHBondContact CB-O 3.33Å; G1251-F1253 VanDerWaalsContact C-N 3.26Å; G1251-F1253 PolarHBondContact O-N 3.08Å
1252G88.8Confident90.2Very high32 Ų3239 Ų3933%0.3322%0.224SC..SBendtrans71.715.717900000114.5P1249 V1250 S1254P1249-G1252 WeakPolarHBondContact O-CA 3.38Å; P1249-G1252 PolarHBondContact O-N 3.31Å; V1250-G1252 VanDerWaalsContact C-N 3.29Å; G1252-S1254 PolarHBondContact O-N 2.88Å
1253F91Very high89.5Confident29 Ų2937.2 Ų37.213%0.12722%0.219CC..  trans-84.4103.2179.9-53.8-57.4000110.7I57 N58 A59 T81 A87 P1249 G1251 H1255I57-F1253 HydrophobicContact CG2-CD2 3.92Å; I57-F1253 HydrophobicContact CG2-CE2 4.04Å; N58-F1253 HydrophobicContact CB-CB 4.12Å; N58-F1253 VanDerWaalsContact CB-O 3.26Å; N58-F1253 WeakPolarHBondContact CB-O 3.28Å; N58-F1253 PolarHBondContact ND2-O 3.39Å; N58-F1253 WeakPolarHBondContact O-CB 3.47Å; A59-F1253 HydrophobicContact CB-CD2 3.85Å; A59-F1253 HydrophobicContact CB-CE2 4.2Å; A59-F1253 HydrophobicContact CB-CG 4.23Å; T81-F1253 HydrophobicContact CG2-CD2 4.47Å; T81-F1253 HydrophobicContact CG2-CE1 4.3Å; T81-F1253 HydrophobicContact CG2-CE2 3.68Å; T81-F1253 HydrophobicContact CG2-CZ 3.58Å; A87-F1253 HydrophobicContact CB-CE2 4.04Å; A87-F1253 HydrophobicContact CB-CZ 3.77Å; P1249-F1253 WeakPolarHBondContact CG-O 3.49Å; G1251-F1253 VanDerWaalsContact C-N 3.26Å; G1251-F1253 PolarHBondContact O-N 3.08Å; F1253-H1255 PolarHBondContact O-N 3.43Å
1254S91.4Very high88.6Confident53 Ų5343.7 Ų43.737%0.37125%0.254SS..  trans-53137.4179.262.90000112.2G1252 D1256 T1257 W1258G1252-S1254 PolarHBondContact O-N 2.88Å; S1254-D1256 PolarHBondContact O-N 3.38Å; S1254-T1257 PolarHBondContact O-N 2.83Å; S1254-T1257 WeakPolarHBondContact OG-CB 3.37Å; S1254-T1257 PolarHBondContact OG-OG1 2.74Å; S1254-W1258 PolarHBondContact O-N 3.23Å
1255H92Very high87.7Confident13 Ų1353.1 Ų53.16%0.0629%0.286CS..Hα-helixtrans-53.5-46.4177.9176.8-92.7000113.3E1240 F1253 T1257 W1258 R1259 D1275E1240-H1255 IonicContact OE1-CE1 2.72Å; E1240-H1255 PolarHBondContact OE1-CE1 2.93Å; F1253-H1255 PolarHBondContact O-N 3.43Å; H1255-T1257 PolarHBondContact O-N 2.9Å; H1255-W1258 WeakPolarHBondContact O-CA 3.17Å; H1255-W1258 WeakPolarHBondContact O-CB 3.33Å; H1255-W1258 PolarHBondContact O-N 3.31Å; H1255-R1259 PolarHBondContact O-N 2.84Å; H1255-D1275 IonicContact CD2-OD2 3.25Å; H1255-D1275 PolarHBondContact CD2-OD2 3.18Å; H1255-D1275 IonicContact CE1-OD2 3.53Å; H1255-D1275 IonicContact NE2-OD2 2.7Å; H1255-D1275 PolarHBondContact NE2-OD2 3.24Å
1256D91.1Very high87.3Confident86 Ų8651.1 Ų51.146%0.4627%0.273SS..Hα-helixtrans-55.9-49.4178.9-62.8-26.2000112.3S1254 W1258 A1260 M1269S1254-D1256 PolarHBondContact O-N 3.38Å; D1256-W1258 VanDerWaalsContact C-N 3.29Å; D1256-W1258 PolarHBondContact O-N 2.89Å; D1256-A1260 WeakPolarHBondContact O-CA 3.31Å; D1256-A1260 WeakPolarHBondContact O-CB 3.46Å; D1256-A1260 PolarHBondContact O-N 3.05Å; D1256-M1269 HydrophobicContact CB-SD 4.16Å
1257T89.8Confident87.1Confident85 Ų8552 Ų5252%0.52128%0.277SS..Hα-helixtrans-67.5-30.1178.6-530000112.4K83 S1254 H1255K83-T1257 PolarHBondContact NZ-O 2.88Å; S1254-T1257 PolarHBondContact O-N 2.83Å; S1254-T1257 WeakPolarHBondContact OG-CB 3.37Å; S1254-T1257 PolarHBondContact OG-OG1 2.74Å; H1255-T1257 PolarHBondContact O-N 2.9Å
1258W91.4Very high87.3Confident14 Ų1451.5 Ų51.55%0.05327%0.27CS..Hα-helixtrans-66.6-57.5175.1171.9-135.7000111.1T37 N58 A59 K60 K83 H1183 S1254 H1255 D1256 A1260T37-W1258 HydrophobicContact CG2-CH2 4Å; T37-W1258 HydrophobicContact CG2-CZ2 3.67Å; N58-W1258 VanDerWaalsContact C-CD2 3.46Å; N58-W1258 HydrophobicContact CB-CB 3.98Å; N58-W1258 HydrophobicContact CB-CG 3.94Å; N58-W1258 VanDerWaalsContact O-CB 3.26Å; N58-W1258 WeakPolarHBondContact O-CB 3.44Å; N58-W1258 VanDerWaalsContact O-CD2 3.32Å; A59-W1258 VanDerWaalsContact CA-CZ3 3.49Å; K60-W1258 HydrophobicContact CB-CH2 4.14Å; K60-W1258 HydrophobicContact CB-CZ3 4.38Å; K60-W1258 VanDerWaalsContact N-CH2 3.27Å; K60-W1258 VanDerWaalsContact N-CZ3 3.33Å; K83-W1258 PolarHBondContact NZ-O 2.82Å; H1183-W1258 AromaticContact CD2-CE3 3.75Å; H1183-W1258 AromaticContact CD2-CZ3 3.51Å; H1183-W1258 PolarHBondContact CD2-O 2.83Å; H1183-W1258 AromaticContact NE2-CZ3 3.46Å; H1183-W1258 WeakPolarHBondContact NE2-CZ3 3.45Å; S1254-W1258 PolarHBondContact O-N 3.23Å; H1255-W1258 WeakPolarHBondContact O-CA 3.17Å; H1255-W1258 WeakPolarHBondContact O-CB 3.33Å; H1255-W1258 PolarHBondContact O-N 3.31Å; D1256-W1258 VanDerWaalsContact C-N 3.29Å; D1256-W1258 PolarHBondContact O-N 2.89Å; W1258-A1260 VanDerWaalsContact C-N 3.26Å; W1258-A1260 PolarHBondContact O-N 3.03Å
1259R94.6Very high87.7Confident13 Ų1350.8 Ų50.85%0.04926%0.261CS..Hα-helixtrans-76.1-11.2-179.2-61-52.1-163.1173.39.3113.7F1182 H1183 T1184 H1255 F1261 A1270 D1275 D1277F1182-R1259 HydrophobicContact CD2-CB 4.26Å; F1182-R1259 HydrophobicContact CE2-CB 3.95Å; F1182-R1259 HydrophobicContact CE2-CG 3.8Å; F1182-R1259 HydrophobicContact CZ-CG 4.01Å; F1182-R1259 VanDerWaalsContact CZ-CZ 3.5Å; F1182-R1259 VanDerWaalsContact CZ-NE 3.33Å; H1183-R1259 WeakPolarHBondContact CB-O 3.35Å; H1183-R1259 PolarHBondContact N-O 2.85Å; H1183-R1259 VanDerWaalsContact O-CD 3.28Å; H1183-R1259 WeakPolarHBondContact O-CD 3.32Å; H1183-R1259 PolarHBondContact O-NH1 2.82Å; T1184-R1259 PolarHBondContact O-NH1 2.88Å; H1255-R1259 PolarHBondContact O-N 2.84Å; R1259-F1261 PolarHBondContact O-N 2.99Å; R1259-A1270 HydrophobicContact CB-CB 4.24Å; R1259-D1275 IonicContact CZ-OD1 3.11Å; R1259-D1275 IonicContact CZ-OD2 3.35Å; R1259-D1275 VanDerWaalsContact CZ-OD2 3.29Å; R1259-D1275 IonicContact NE-OD1 2.77Å; R1259-D1275 IonicContact NE-OD2 3.14Å; R1259-D1275 PolarHBondContact NE-OD2 3.28Å; R1259-D1275 VanDerWaalsContact NH2-CG 3.25Å; R1259-D1275 IonicContact NH2-OD1 2.71Å; R1259-D1275 PolarHBondContact NH2-OD1 3.41Å; R1259-D1275 IonicContact NH2-OD2 2.69Å; R1259-D1275 PolarHBondContact NH2-OD2 2.89Å; R1259-D1277 IonicContact CZ-OD2 3.47Å; R1259-D1277 IonicContact NH2-OD2 3.51Å; R1259-D1277 PolarHBondContact NH2-OD2 3.45Å
1260A93Very high87.9Confident2 Ų250.5 Ų50.52%0.01726%0.261CS..SBendtrans-56.1124.5172.300000111.8K83 D1256 W1258 K1262 I1267 K1268 M1269K83-A1260 PolarHBondContact NZ-O 3.34Å; D1256-A1260 WeakPolarHBondContact O-CA 3.31Å; D1256-A1260 WeakPolarHBondContact O-CB 3.46Å; D1256-A1260 PolarHBondContact O-N 3.05Å; W1258-A1260 VanDerWaalsContact C-N 3.26Å; W1258-A1260 PolarHBondContact O-N 3.03Å; A1260-K1262 PolarHBondContact O-N 3.33Å; A1260-I1267 HydrophobicContact CB-CG2 4.28Å; A1260-K1268 CarbonylContact C-O 3.4Å; A1260-K1268 WeakPolarHBondContact CA-O 3.48Å; A1260-M1269 HydrophobicContact CB-CE 3.64Å; A1260-M1269 HydrophobicContact CB-SD 4.36Å
1261F89.5Confident88.2Confident0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-66116.2175.4177.7-99.9000109.7R1039 N1060 F1062 Y1181 R1259 A1263 I1267 K1268R1039-F1261 VanDerWaalsContact NH2-CZ 3.32Å; N1060-F1261 HydrophobicContact CB-CD2 3.56Å; N1060-F1261 HydrophobicContact CB-CE2 3.68Å; F1062-F1261 HydrophobicContact CB-CE2 4.11Å; Y1181-F1261 HydrophobicContact CD2-CB 3.71Å; Y1181-F1261 HydrophobicContact CD2-CD1 4.16Å; Y1181-F1261 HydrophobicContact CD2-CD2 4.41Å; Y1181-F1261 AromaticContact CD2-CG 3.91Å; Y1181-F1261 HydrophobicContact CD2-CG 3.91Å; Y1181-F1261 HydrophobicContact CE2-CB 4.48Å; Y1181-F1261 HydrophobicContact CG-CD2 4.43Å; Y1181-F1261 HydrophobicContact CG-CG 4.3Å; R1259-F1261 PolarHBondContact O-N 2.99Å; F1261-A1263 HydrophobicContact CE1-CB 4.42Å; F1261-I1267 WeakPolarHBondContact O-CA 3.34Å; F1261-K1268 HydrophobicContact CD1-CB 4.38Å; F1261-K1268 HydrophobicContact CD1-CD 4.33Å; F1261-K1268 PolarHBondContact N-O 2.86Å; F1261-K1268 PolarHBondContact O-N 2.83Å
1262K84.4Confident88.5Confident39 Ų3951 Ų5117%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-118.5124.6179.2178.1170.7-177.8172.40109.1E109 N1060 A1260 I1267E109-K1262 IonicContact OE1-NZ 3.95Å; E109-K1262 PolarHBondContact OE1-NZ 3.39Å; N1060-K1262 PolarHBondContact ND2-O 2.75Å; A1260-K1262 PolarHBondContact O-N 3.33Å; K1262-I1267 HydrophobicContact CB-CG1 4.42Å; K1262-I1267 HydrophobicContact CD-CD1 4.49Å; K1262-I1267 HydrophobicContact CG-CG1 4.15Å
1263A80.3Confident88.8Confident10 Ų1049.4 Ų49.48%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-146.9114.1-178.900000111.1F1261 R1265 E1266F1261-A1263 HydrophobicContact CE1-CB 4.42Å; A1263-R1265 PolarHBondContact O-N 3.32Å; A1263-E1266 PolarHBondContact N-O 2.88Å; A1263-E1266 PolarHBondContact O-N 2.85Å
1264D75.1Confident89Confident136 Ų13648 Ų4873%0.72724%0.239SC*.THydrogen-bonded Turntrans48.8-104.3-169177.831.8000110.8
1265R74Confident89.3Confident227 Ų22745.7 Ų45.786%0.85722%0.223SC*.THydrogen-bonded Turntrans-106-2-179.9-64.9175.2-176.4-160.2-4.1114.4A1263A1263-R1265 PolarHBondContact O-N 3.32Å
1266E81.7Confident89.4Confident70 Ų7045.1 Ų45.133%0.32722%0.22SC..EExtended strand (participates in β ladder)trans-95127.3-179.4-163.8176.4-141.400110.1R1039 A1263 K1268R1039-E1266 IonicContact NH2-OE2 3.46Å; A1263-E1266 PolarHBondContact N-O 2.88Å; A1263-E1266 PolarHBondContact O-N 2.85Å; E1266-K1268 HydrophobicContact CG-CG 4.31Å; E1266-K1268 WeakPolarHBondContact OE1-CE 3.25Å; E1266-K1268 IonicContact OE1-NZ 2.79Å; E1266-K1268 PolarHBondContact OE1-NZ 2.86Å; E1266-K1268 IonicContact OE2-NZ 4Å; E1266-K1268 PolarHBondContact OE2-NZ 3.35Å
1267I86.1Confident89.5Confident70 Ų7043.3 Ų43.336%0.35921%0.21SC..EExtended strand (participates in β ladder)trans-123.3127.3172.6-58.3176.3000107.7A1260 F1261 K1262 M1269A1260-I1267 HydrophobicContact CB-CG2 4.28Å; F1261-I1267 WeakPolarHBondContact O-CA 3.34Å; K1262-I1267 HydrophobicContact CB-CG1 4.42Å; K1262-I1267 HydrophobicContact CD-CD1 4.49Å; K1262-I1267 HydrophobicContact CG-CG1 4.15Å; I1267-M1269 HydrophobicContact CG2-CE 4.31Å
1268K90.2Very high89.7Confident44 Ų4440.2 Ų40.219%0.19119%0.19CC..EExtended strand (participates in β ladder)trans-130.5139.4176.1-59.6174.4173.7140.40109.7D1178 Y1181 A1260 F1261 E1266D1178-K1268 IonicContact OD2-NZ 3.26Å; Y1181-K1268 HydrophobicContact CD2-CB 4.14Å; Y1181-K1268 HydrophobicContact CE1-CD 4.32Å; Y1181-K1268 HydrophobicContact CE2-CB 3.35Å; Y1181-K1268 HydrophobicContact CE2-CD 3.86Å; Y1181-K1268 HydrophobicContact CE2-CG 4.23Å; A1260-K1268 CarbonylContact C-O 3.4Å; A1260-K1268 WeakPolarHBondContact CA-O 3.48Å; F1261-K1268 HydrophobicContact CD1-CB 4.38Å; F1261-K1268 HydrophobicContact CD1-CD 4.33Å; F1261-K1268 PolarHBondContact N-O 2.86Å; F1261-K1268 PolarHBondContact O-N 2.83Å; E1266-K1268 HydrophobicContact CG-CG 4.31Å; E1266-K1268 WeakPolarHBondContact OE1-CE 3.25Å; E1266-K1268 IonicContact OE1-NZ 2.79Å; E1266-K1268 PolarHBondContact OE1-NZ 2.86Å; E1266-K1268 IonicContact OE2-NZ 4Å; E1266-K1268 PolarHBondContact OE2-NZ 3.35Å
1269M92.1Very high89.9Confident87 Ų8739.6 Ų39.643%0.42919%0.188SC..  trans-65.4143.3171.5-61.9-60.810400109.6Y1181 D1256 A1260 I1267 H1271Y1181-M1269 WeakPolarHBondContact CE2-O 3.5Å; D1256-M1269 HydrophobicContact CB-SD 4.16Å; A1260-M1269 HydrophobicContact CB-CE 3.64Å; A1260-M1269 HydrophobicContact CB-SD 4.36Å; I1267-M1269 HydrophobicContact CG2-CE 4.31Å; M1269-H1271 PolarHBondContact O-N 2.9Å
1270A92.9Very high89.8Confident20 Ų2040.3 Ų40.317%0.16519%0.192CC..  trans-54.2136.3-178.200000111.9Y1181 F1182 R1259Y1181-A1270 WeakPolarHBondContact O-CA 3.42Å; F1182-A1270 HydrophobicContact CD2-CB 3.98Å; R1259-A1270 HydrophobicContact CB-CB 4.24Å
1271H94.1Very high89.6Confident40 Ų4042.3 Ų42.319%0.18520%0.204CC..BIsolated β-bridgetrans-138.4135.5-167.6-176.293.2000111.2T1072 E1074 A1180 Y1181 M1269 F1273T1072-H1271 PolarHBondContact O-NE2 2.86Å; E1074-H1271 IonicContact OE1-ND1 3.2Å; A1180-H1271 CarbonylContact C-O 3.54Å; A1180-H1271 VanDerWaalsContact CA-O 3.26Å; A1180-H1271 WeakPolarHBondContact CA-O 3.39Å; Y1181-H1271 HydrophobicContact CD1-CB 4.34Å; Y1181-H1271 HydrophobicContact CD2-CB 4.24Å; Y1181-H1271 HydrophobicContact CE1-CB 3.76Å; Y1181-H1271 HydrophobicContact CE2-CB 3.68Å; Y1181-H1271 PolarHBondContact N-O 3.26Å; Y1181-H1271 PolarHBondContact O-N 3.03Å; M1269-H1271 PolarHBondContact O-N 2.9Å; H1271-F1273 PolarHBondContact O-N 3.47Å
1272N94.2Very high89.8Confident0 Ų042.3 Ų42.30%020%0.204CC..SBendtrans56.122.2-174.4-84.9-32000114.1A2 F4 E1074 C1179 A1180 F1233A2-N1272 WeakPolarHBondContact O-CB 3.38Å; A2-N1272 PolarHBondContact O-ND2 2.9Å; F4-N1272 PolarHBondContact N-O 2.84Å; E1074-N1272 VanDerWaalsContact CG-OD1 3.28Å; E1074-N1272 WeakPolarHBondContact CG-OD1 3.23Å; E1074-N1272 PolarHBondContact OE1-N 2.9Å; C1179-N1272 PolarHBondContact O-ND2 2.87Å; A1180-N1272 HydrophobicContact CB-CB 3.51Å; F1233-N1272 VanDerWaalsContact CE2-C 3.43Å
1273F95.5Very high89.7Confident0 Ų041.8 Ų41.80%020%0.204CC..EExtended strand (participates in β ladder)trans-126.3142.1172.7-87.1-101.7000110.7F4 H6 L1061 V1063 A1180 F1182 L1225 K1237 H1271F4-F1273 HydrophobicContact CB-CD1 4.15Å; F4-F1273 HydrophobicContact CB-CE1 4.21Å; F4-F1273 HydrophobicContact CB-CG 4.42Å; F4-F1273 HydrophobicContact CD2-CD2 4.45Å; F4-F1273 HydrophobicContact CD2-CE2 4.1Å; F4-F1273 HydrophobicContact CD2-CZ 4.28Å; F4-F1273 CarbonylContact O-C 3.57Å; F4-F1273 WeakPolarHBondContact O-CA 3.31Å; H6-F1273 HydrophobicContact CB-CD1 3.93Å; H6-F1273 HydrophobicContact CB-CE1 4.24Å; L1061-F1273 HydrophobicContact CB-CZ 4.3Å; V1063-F1273 HydrophobicContact CG2-CE2 4.47Å; V1063-F1273 HydrophobicContact CG2-CZ 4.5Å; A1180-F1273 HydrophobicContact CB-CD2 3.73Å; A1180-F1273 HydrophobicContact CB-CE2 3.56Å; F1182-F1273 HydrophobicContact CB-CB 4.04Å; F1182-F1273 HydrophobicContact CB-CD1 3.69Å; F1182-F1273 HydrophobicContact CB-CD2 3.82Å; F1182-F1273 HydrophobicContact CB-CE1 3.96Å; F1182-F1273 HydrophobicContact CB-CE2 4.12Å; F1182-F1273 HydrophobicContact CB-CG 3.61Å; F1182-F1273 HydrophobicContact CB-CZ 4.19Å; F1182-F1273 HydrophobicContact CD1-CD1 4.45Å; F1182-F1273 HydrophobicContact CD2-CB 3.75Å; F1182-F1273 HydrophobicContact CD2-CD1 4.18Å; F1182-F1273 HydrophobicContact CD2-CG 4.15Å; F1182-F1273 HydrophobicContact CG-CB 4.21Å; F1182-F1273 AromaticContact CG-CD1 3.9Å; F1182-F1273 HydrophobicContact CG-CD1 3.9Å; F1182-F1273 HydrophobicContact CG-CE1 4.4Å; F1182-F1273 HydrophobicContact CG-CG 4.09Å; L1225-F1273 HydrophobicContact CD1-CD1 4.13Å; L1225-F1273 HydrophobicContact CD1-CE1 3.34Å; L1225-F1273 HydrophobicContact CD1-CZ 3.97Å; K1237-F1273 PolarHBondContact NZ-O 2.87Å; H1271-F1273 PolarHBondContact O-N 3.47Å
1274V96.4Very high89.8Confident0 Ų047.5 Ų47.50%023%0.233CC..EExtended strand (participates in β ladder)trans-111130.7165.3173.50000108.5F4 Y5 H6 F1233 L1236 K1237 G1276 I1279F4-V1274 PolarHBondContact O-N 2.85Å; Y5-V1274 HydrophobicContact CD2-CB 4.2Å; Y5-V1274 HydrophobicContact CD2-CG1 3.87Å; Y5-V1274 HydrophobicContact CE2-CG1 4.31Å; H6-V1274 PolarHBondContact N-O 3.15Å; F1233-V1274 HydrophobicContact CD2-CG2 3.79Å; F1233-V1274 HydrophobicContact CE2-CG2 3.73Å; F1233-V1274 HydrophobicContact CZ-CG2 4.43Å; L1236-V1274 HydrophobicContact CB-CG1 3.9Å; L1236-V1274 HydrophobicContact CB-CG2 4.07Å; K1237-V1274 HydrophobicContact CB-CG2 4.44Å; K1237-V1274 HydrophobicContact CD-CG2 4.43Å; V1274-G1276 PolarHBondContact O-N 2.81Å; V1274-I1279 HydrophobicContact CG1-CD1 4.21Å; V1274-I1279 HydrophobicContact CG1-CG1 3.76Å
1275D96.5Very high90.3Very high4 Ų442.5 Ų42.52%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-79.796.6173.1-170.11.2000112.3F1182 E1240 H1255 R1259 D1277 L1278 I1279F1182-D1275 HydrophobicContact CE2-CB 4.03Å; F1182-D1275 HydrophobicContact CZ-CB 4.16Å; E1240-D1275 WeakPolarHBondContact OE1-CB 3.5Å; E1240-D1275 PolarHBondContact OE1-N 2.85Å; H1255-D1275 IonicContact CD2-OD2 3.25Å; H1255-D1275 PolarHBondContact CD2-OD2 3.18Å; H1255-D1275 IonicContact CE1-OD2 3.53Å; H1255-D1275 IonicContact NE2-OD2 2.7Å; H1255-D1275 PolarHBondContact NE2-OD2 3.24Å; R1259-D1275 IonicContact CZ-OD1 3.11Å; R1259-D1275 IonicContact CZ-OD2 3.35Å; R1259-D1275 VanDerWaalsContact CZ-OD2 3.29Å; R1259-D1275 IonicContact NE-OD1 2.77Å; R1259-D1275 IonicContact NE-OD2 3.14Å; R1259-D1275 PolarHBondContact NE-OD2 3.28Å; R1259-D1275 VanDerWaalsContact NH2-CG 3.25Å; R1259-D1275 IonicContact NH2-OD1 2.71Å; R1259-D1275 PolarHBondContact NH2-OD1 3.41Å; R1259-D1275 IonicContact NH2-OD2 2.69Å; R1259-D1275 PolarHBondContact NH2-OD2 2.89Å; D1275-D1277 VanDerWaalsContact C-N 3.26Å; D1275-D1277 PolarHBondContact O-N 2.93Å; D1275-D1277 VanDerWaalsContact OD1-CB 3.3Å; D1275-D1277 WeakPolarHBondContact OD1-CB 3.45Å; D1275-D1277 PolarHBondContact OD1-N 2.84Å; D1275-D1277 VanDerWaalsContact OD1-N 3.12Å; D1275-L1278 HydrophobicContact CB-CB 4.34Å; D1275-L1278 PolarHBondContact O-N 2.83Å; D1275-I1279 WeakPolarHBondContact O-CG1 3.43Å; D1275-I1279 PolarHBondContact O-N 3.02Å; D1275-I1279 VanDerWaalsContact O-N 3.12Å
1276G95.4Very high90.9Very high0 Ų034.3 Ų34.30%018%0.184CC..Hα-helixtrans-62.2-29.1175.200000114.1Y5 H6 V1274 L1278 I1279 E1280Y5-G1276 WeakPolarHBondContact OH-CA 3.33Å; H6-G1276 WeakPolarHBondContact O-CA 3.4Å; H6-G1276 PolarHBondContact O-N 2.78Å; V1274-G1276 PolarHBondContact O-N 2.81Å; G1276-L1278 PolarHBondContact O-N 3.37Å; G1276-I1279 PolarHBondContact O-N 3.18Å; G1276-E1280 WeakPolarHBondContact O-CG 3.2Å; G1276-E1280 PolarHBondContact O-N 3.45Å
1277D92.7Very high91Very high49 Ų4937.2 Ų37.226%0.26220%0.199SC..Hα-helixtrans-60.7-36.5175.4-58.6-27.3000110.4H6 T8 R1259 D1275 T1281H6-D1277 IonicContact CE1-OD2 3.14Å; T8-D1277 WeakPolarHBondContact CB-OD1 3.32Å; T8-D1277 PolarHBondContact N-OD1 3.4Å; T8-D1277 PolarHBondContact OG1-OD1 2.71Å; T8-D1277 VanDerWaalsContact OG1-OD1 3.09Å; T8-D1277 PolarHBondContact OG1-OD2 2.77Å; R1259-D1277 IonicContact CZ-OD2 3.47Å; R1259-D1277 IonicContact NH2-OD2 3.51Å; R1259-D1277 PolarHBondContact NH2-OD2 3.45Å; D1275-D1277 VanDerWaalsContact C-N 3.26Å; D1275-D1277 PolarHBondContact O-N 2.93Å; D1275-D1277 VanDerWaalsContact OD1-CB 3.3Å; D1275-D1277 WeakPolarHBondContact OD1-CB 3.45Å; D1275-D1277 PolarHBondContact OD1-N 2.84Å; D1275-D1277 VanDerWaalsContact OD1-N 3.12Å; D1277-T1281 WeakPolarHBondContact O-CG2 3.5Å
1278L94.1Very high91.1Very high20 Ų2038.8 Ų38.811%0.10521%0.208CC..Hα-helixtrans-76.7-43.4174.4-176.760.8000111.7E1240 L1243 D1275 G1276 E1280 T1281E1240-L1278 HydrophobicContact CG-CD2 4.07Å; L1243-L1278 HydrophobicContact CB-CD1 4.07Å; L1243-L1278 HydrophobicContact CB-CD2 3.93Å; L1243-L1278 HydrophobicContact CB-CG 3.86Å; L1243-L1278 HydrophobicContact CD1-CG 4.18Å; D1275-L1278 HydrophobicContact CB-CB 4.34Å; D1275-L1278 PolarHBondContact O-N 2.83Å; G1276-L1278 PolarHBondContact O-N 3.37Å; L1278-E1280 VanDerWaalsContact C-N 3.3Å; L1278-E1280 PolarHBondContact O-N 2.93Å; L1278-T1281 WeakPolarHBondContact O-CB 3.45Å; L1278-T1281 PolarHBondContact O-N 2.79Å; L1278-T1281 PolarHBondContact O-OG1 3.22Å
1279I95.7Very high91.2Very high0 Ų038.6 Ų38.60%021%0.209CC..Hα-helixtrans-58-40.6-179.7-64.7-65.7000111.9Y5 L1236 V1239 E1240 L1243 V1274 D1275 G1276 T1281 V1282 V1331Y5-I1279 HydrophobicContact CE2-CB 4.27Å; Y5-I1279 HydrophobicContact CE2-CG1 4.27Å; Y5-I1279 HydrophobicContact CE2-CG2 4.39Å; L1236-I1279 HydrophobicContact CD2-CD1 4.48Å; L1236-I1279 HydrophobicContact CD2-CG2 4.27Å; V1239-I1279 HydrophobicContact CB-CD1 4.03Å; V1239-I1279 HydrophobicContact CG1-CD1 3.66Å; E1240-I1279 HydrophobicContact CB-CD1 4.1Å; L1243-I1279 HydrophobicContact CD1-CD1 4.13Å; V1274-I1279 HydrophobicContact CG1-CD1 4.21Å; V1274-I1279 HydrophobicContact CG1-CG1 3.76Å; D1275-I1279 WeakPolarHBondContact O-CG1 3.43Å; D1275-I1279 PolarHBondContact O-N 3.02Å; D1275-I1279 VanDerWaalsContact O-N 3.12Å; G1276-I1279 PolarHBondContact O-N 3.18Å; I1279-T1281 VanDerWaalsContact C-N 3.25Å; I1279-T1281 PolarHBondContact O-N 3.05Å; I1279-V1282 VanDerWaalsContact O-CB 3.28Å; I1279-V1282 WeakPolarHBondContact O-CB 3.47Å; I1279-V1282 WeakPolarHBondContact O-CG2 3.22Å; I1279-V1282 PolarHBondContact O-N 3.17Å; I1279-V1331 HydrophobicContact CG2-CG1 4.3Å; I1279-V1331 HydrophobicContact CG2-CG2 3.83Å
1280E91.7Very high91.2Very high29 Ų2935.6 Ų35.614%0.13619%0.194CC..Hα-helixtrans-69-22.6-177.6-67.8-170.9-170.900113.5Y5 G1276 L1278 V1282 T1283 V1331 S1335 H1338Y5-E1280 PolarHBondContact OH-OE1 3.47Å; G1276-E1280 WeakPolarHBondContact O-CG 3.2Å; G1276-E1280 PolarHBondContact O-N 3.45Å; L1278-E1280 VanDerWaalsContact C-N 3.3Å; L1278-E1280 PolarHBondContact O-N 2.93Å; E1280-V1282 PolarHBondContact O-N 2.89Å; E1280-V1282 VanDerWaalsContact O-N 3.11Å; E1280-T1283 PolarHBondContact O-N 2.92Å; E1280-T1283 PolarHBondContact O-OG1 3.08Å; E1280-V1331 HydrophobicContact CG-CG1 4.44Å; E1280-S1335 WeakPolarHBondContact CG-OG 3.41Å; E1280-S1335 WeakPolarHBondContact OE1-CA 3.12Å; E1280-S1335 PolarHBondContact OE1-OG 3.21Å; E1280-S1335 PolarHBondContact OE2-OG 3.23Å; E1280-H1338 IonicContact OE1-CD2 3.91Å; E1280-H1338 IonicContact OE1-CE1 3.39Å; E1280-H1338 IonicContact OE1-NE2 2.74Å; E1280-H1338 PolarHBondContact OE1-NE2 3.06Å; E1280-H1338 IonicContact OE2-CE1 2.67Å; E1280-H1338 PolarHBondContact OE2-CE1 2.67Å; E1280-H1338 IonicContact OE2-NE2 3.71Å; E1280-H1338 PolarHBondContact OE2-NE2 2.66Å
1281T89.8Confident91.1Very high44 Ų4437 Ų3727%0.2721%0.205SC..G310 helixtrans-60.2-21.1173.272.10000113.1D1277 L1278 I1279 T1283 D1284 L1285D1277-T1281 WeakPolarHBondContact O-CG2 3.5Å; L1278-T1281 WeakPolarHBondContact O-CB 3.45Å; L1278-T1281 PolarHBondContact O-N 2.79Å; L1278-T1281 PolarHBondContact O-OG1 3.22Å; I1279-T1281 VanDerWaalsContact C-N 3.25Å; I1279-T1281 PolarHBondContact O-N 3.05Å; T1281-T1283 PolarHBondContact O-N 2.72Å; T1281-T1283 VanDerWaalsContact O-N 3.1Å; T1281-D1284 PolarHBondContact O-N 2.84Å; T1281-L1285 PolarHBondContact O-N 2.97Å
1282V92.2Very high91.1Very high0 Ų040.8 Ų40.80%022%0.221CC..G310 helixtrans-50.4-36.1171.1171.20000110.9V1239 L1243 I1279 E1280 D1284 L1285 K1290 L1293 L1327 V1331V1239-V1282 HydrophobicContact CG1-CG2 4.4Å; L1243-V1282 HydrophobicContact CD1-CG2 3.65Å; L1243-V1282 HydrophobicContact CD2-CG2 3.8Å; L1243-V1282 HydrophobicContact CG-CG2 4.21Å; I1279-V1282 VanDerWaalsContact O-CB 3.28Å; I1279-V1282 WeakPolarHBondContact O-CB 3.47Å; I1279-V1282 WeakPolarHBondContact O-CG2 3.22Å; I1279-V1282 PolarHBondContact O-N 3.17Å; E1280-V1282 PolarHBondContact O-N 2.89Å; E1280-V1282 VanDerWaalsContact O-N 3.11Å; V1282-D1284 VanDerWaalsContact C-N 3.3Å; V1282-D1284 PolarHBondContact O-N 3.49Å; V1282-L1285 PolarHBondContact O-N 2.84Å; V1282-K1290 WeakPolarHBondContact O-CE 3.32Å; V1282-L1293 HydrophobicContact CG2-CD2 4.12Å; V1282-L1327 HydrophobicContact CG1-CD2 3.85Å; V1282-L1327 HydrophobicContact CG1-CG 4.06Å; V1282-V1331 HydrophobicContact CB-CG2 4.1Å; V1282-V1331 HydrophobicContact CG1-CG2 4.16Å; V1282-V1331 HydrophobicContact CG2-CG2 4.33Å
1283T83.1Confident91Very high28 Ų2840.9 Ų40.917%0.17222%0.222CC..G310 helixtrans-68.6-30.1-178.468.90000112.8E1280 T1281 K1290 V1331E1280-T1283 PolarHBondContact O-N 2.92Å; E1280-T1283 PolarHBondContact O-OG1 3.08Å; T1281-T1283 PolarHBondContact O-N 2.72Å; T1281-T1283 VanDerWaalsContact O-N 3.1Å; T1283-K1290 PolarHBondContact O-NZ 2.67Å; T1283-V1331 HydrophobicContact CG2-CG1 3.75Å
1284D82.3Confident91Very high130 Ų13041.7 Ų41.770%0.69523%0.227SC*.THydrogen-bonded Turntrans-87.6-14.8-179.2-68-38000114.2T1281 V1282T1281-D1284 PolarHBondContact O-N 2.84Å; V1282-D1284 VanDerWaalsContact C-N 3.3Å; V1282-D1284 PolarHBondContact O-N 3.49Å
1285L86.2Confident90.8Very high31 Ų3150 Ų5016%0.16226%0.263CS..SBendtrans-63.7154.7179.2-70.7-177.7000113.4L1243 L1246 V1247 T1281 V1282 D1289 K1290L1243-L1285 HydrophobicContact CD2-CD1 3.75Å; L1246-L1285 HydrophobicContact CD2-CD1 4.32Å; V1247-L1285 HydrophobicContact CG2-CD2 4.11Å; T1281-L1285 PolarHBondContact O-N 2.97Å; V1282-L1285 PolarHBondContact O-N 2.84Å; L1285-D1289 HydrophobicContact CB-CB 4.23Å; L1285-D1289 HydrophobicContact CD1-CB 4.4Å; L1285-D1289 HydrophobicContact CD2-CB 4.45Å; L1285-K1290 HydrophobicContact CB-CG 4.05Å; L1285-K1290 WeakPolarHBondContact O-CE 3.45Å; L1285-K1290 PolarHBondContact O-NZ 2.81Å
1286S85.8Confident90.5Very high54 Ų5451 Ų5138%0.37827%0.274SS..  trans-62.9159169.881.80000111.5D1288 D1289 K1290S1286-D1288 VanDerWaalsContact C-N 3.27Å; S1286-D1288 PolarHBondContact O-N 2.97Å; S1286-D1289 PolarHBondContact O-N 2.88Å; S1286-D1289 WeakPolarHBondContact OG-CB 3.35Å; S1286-D1289 PolarHBondContact OG-N 3.24Å; S1286-D1289 PolarHBondContact OG-OD2 3.26Å; S1286-K1290 WeakPolarHBondContact O-CB 3.31Å; S1286-K1290 WeakPolarHBondContact O-CG 3.31Å; S1286-K1290 PolarHBondContact O-N 2.81Å
1287M84.3Confident90.4Very high132 Ų13251 Ų5165%0.6528%0.275SS*.Hα-helixtrans-64.8-32.5176.8-68-63.2-82.300112.2K1290 A1291 V1324M1287-K1290 HydrophobicContact SD-CD 3.89Å; M1287-A1291 WeakPolarHBondContact O-CB 3.4Å; M1287-A1291 PolarHBondContact O-N 2.85Å; M1287-V1324 HydrophobicContact CE-CG1 4.44Å
1288D89.1Confident90.5Very high102 Ų10252.5 Ų52.555%0.54528%0.276SS..Hα-helixtrans-66.9-40.2174.6-70.3-32.9000111.7S1286 A1291 K1292S1286-D1288 VanDerWaalsContact C-N 3.27Å; S1286-D1288 PolarHBondContact O-N 2.97Å; D1288-A1291 PolarHBondContact O-N 3.36Å; D1288-K1292 VanDerWaalsContact O-CG 3.31Å; D1288-K1292 WeakPolarHBondContact O-CG 3.29Å; D1288-K1292 PolarHBondContact O-N 2.81Å
1289D91.1Very high90.5Very high40 Ų4051.7 Ų51.721%0.21427%0.272CS..Hα-helixtrans-71.3-39.2177.8-65.7-43.7000111.8L1246 L1285 S1286 A1291 K1292 L1293L1246-D1289 HydrophobicContact CD2-CB 4.04Å; L1285-D1289 HydrophobicContact CB-CB 4.23Å; L1285-D1289 HydrophobicContact CD1-CB 4.4Å; L1285-D1289 HydrophobicContact CD2-CB 4.45Å; S1286-D1289 PolarHBondContact O-N 2.88Å; S1286-D1289 WeakPolarHBondContact OG-CB 3.35Å; S1286-D1289 PolarHBondContact OG-N 3.24Å; S1286-D1289 PolarHBondContact OG-OD2 3.26Å; D1289-A1291 VanDerWaalsContact C-N 3.32Å; D1289-A1291 PolarHBondContact O-N 2.82Å; D1289-K1292 WeakPolarHBondContact O-CB 3.28Å; D1289-K1292 PolarHBondContact O-N 3.37Å; D1289-K1292 IonicContact OD1-NZ 3.7Å; D1289-K1292 PolarHBondContact OD1-NZ 3.28Å; D1289-L1293 PolarHBondContact O-N 3.48Å
1290K92Very high90.3Very high24 Ų2451.9 Ų51.910%0.10427%0.273CS..Hα-helixtrans-57.4-44.3168.5-73.9162174.31540111.5V1282 T1283 L1285 S1286 M1287 L1293 V1294 V1324V1282-K1290 WeakPolarHBondContact O-CE 3.32Å; T1283-K1290 PolarHBondContact O-NZ 2.67Å; L1285-K1290 HydrophobicContact CB-CG 4.05Å; L1285-K1290 WeakPolarHBondContact O-CE 3.45Å; L1285-K1290 PolarHBondContact O-NZ 2.81Å; S1286-K1290 WeakPolarHBondContact O-CB 3.31Å; S1286-K1290 WeakPolarHBondContact O-CG 3.31Å; S1286-K1290 PolarHBondContact O-N 2.81Å; M1287-K1290 HydrophobicContact SD-CD 3.89Å; K1290-L1293 WeakPolarHBondContact O-CB 3.43Å; K1290-L1293 PolarHBondContact O-N 3.11Å; K1290-V1294 PolarHBondContact O-N 3.37Å; K1290-V1324 HydrophobicContact CB-CG1 3.8Å; K1290-V1324 HydrophobicContact CB-CG2 4.08Å; K1290-V1324 HydrophobicContact CD-CG1 4.15Å; K1290-V1324 HydrophobicContact CG-CG1 4.35Å
1291A91.9Very high90.1Very high50 Ų5053 Ų5341%0.41328%0.282SS..Hα-helixtrans-66-37.5177.700000113M1287 D1288 D1289 L1293 K1295M1287-A1291 WeakPolarHBondContact O-CB 3.4Å; M1287-A1291 PolarHBondContact O-N 2.85Å; D1288-A1291 PolarHBondContact O-N 3.36Å; D1289-A1291 VanDerWaalsContact C-N 3.32Å; D1289-A1291 PolarHBondContact O-N 2.82Å; A1291-L1293 VanDerWaalsContact C-N 3.34Å; A1291-K1295 PolarHBondContact O-N 3.23Å
1292K93.3Very high90Very high119 Ų11955.2 Ų55.252%0.51729%0.292SS..Hα-helixtrans-60.9-43170.4-68.5165.7-156.1163.60111.1L1246 D1288 D1289 K1295L1246-K1292 HydrophobicContact CD1-CD 4.05Å; D1288-K1292 VanDerWaalsContact O-CG 3.31Å; D1288-K1292 WeakPolarHBondContact O-CG 3.29Å; D1288-K1292 PolarHBondContact O-N 2.81Å; D1289-K1292 WeakPolarHBondContact O-CB 3.28Å; D1289-K1292 PolarHBondContact O-N 3.37Å; D1289-K1292 IonicContact OD1-NZ 3.7Å; D1289-K1292 PolarHBondContact OD1-NZ 3.28Å; K1292-K1295 WeakPolarHBondContact O-CB 3.2Å; K1292-K1295 PolarHBondContact O-N 2.99Å
1293L92.7Very high89.6Confident3 Ų357.3 Ų57.32%0.01630%0.302CS..Hα-helixtrans-63.5-47.2-176-147.390.4000112.7V1239 R1242 L1243 L1246 V1282 D1289 K1290 A1291 K1295 L1327V1239-L1293 HydrophobicContact CG1-CD2 3.99Å; R1242-L1293 HydrophobicContact CB-CD1 3.78Å; R1242-L1293 HydrophobicContact CB-CG 3.99Å; R1242-L1293 WeakPolarHBondContact CD-O 3.33Å; R1242-L1293 PolarHBondContact NH1-O 2.97Å; L1243-L1293 HydrophobicContact CD2-CD1 3.71Å; L1243-L1293 HydrophobicContact CD2-CD2 4.06Å; L1243-L1293 HydrophobicContact CG-CD1 3.91Å; L1243-L1293 HydrophobicContact CG-CD2 4.1Å; L1246-L1293 HydrophobicContact CB-CD1 4.49Å; L1246-L1293 HydrophobicContact CD2-CD1 3.62Å; V1282-L1293 HydrophobicContact CG2-CD2 4.12Å; D1289-L1293 PolarHBondContact O-N 3.48Å; K1290-L1293 WeakPolarHBondContact O-CB 3.43Å; K1290-L1293 PolarHBondContact O-N 3.11Å; A1291-L1293 VanDerWaalsContact C-N 3.34Å; L1293-K1295 VanDerWaalsContact C-N 3.27Å; L1293-K1295 PolarHBondContact O-N 3.49Å; L1293-L1327 HydrophobicContact CD2-CD2 3.55Å
1294V94.4Very high89.7Confident16 Ų1662.2 Ų62.210%0.09733%0.328CS..Hα-helixtrans-75.3-13.1-177-600000113.9K1290 G1296 L1297 V1324 L1327K1290-V1294 PolarHBondContact O-N 3.37Å; V1294-G1296 PolarHBondContact O-N 2.86Å; V1294-L1297 VanDerWaalsContact O-CB 3.32Å; V1294-L1297 WeakPolarHBondContact O-CB 3.45Å; V1294-L1297 PolarHBondContact O-N 2.74Å; V1294-V1324 HydrophobicContact CG1-CG2 4.39Å; V1294-V1324 HydrophobicContact CG2-CG2 3.88Å; V1294-L1327 HydrophobicContact CG1-CB 3.95Å; V1294-L1327 HydrophobicContact CG1-CD2 3.73Å; V1294-L1327 HydrophobicContact CG1-CG 4.48Å
1295K92.1Very high89.9Confident174 Ų17458.8 Ų58.876%0.75731%0.308SS*.THydrogen-bonded Turntrans-58.6112.4-176.2-172177.1179.6179.20111.8R1242 A1291 K1292 L1293 L1297R1242-K1295 PolarHBondContact NH1-O 3.04Å; A1291-K1295 PolarHBondContact O-N 3.23Å; K1292-K1295 WeakPolarHBondContact O-CB 3.2Å; K1292-K1295 PolarHBondContact O-N 2.99Å; L1293-K1295 VanDerWaalsContact C-N 3.27Å; L1293-K1295 PolarHBondContact O-N 3.49Å; K1295-L1297 PolarHBondContact O-N 2.89Å
1296G91.3Very high90.1Very high26 Ų2657.4 Ų57.427%0.26830%0.3SS..THydrogen-bonded Turntrans73.28-178.500000115.2S1082 V1294S1082-G1296 PolarHBondContact N-O 3.33Å; V1294-G1296 PolarHBondContact O-N 2.86Å
1297L93.5Very high90.2Very high1 Ų155.9 Ų55.91%0.00529%0.293CS..BIsolated β-bridgetrans-79138.3167.2-174.963.7000109F1235 E1238 V1239 V1294 K1295 C1322F1235-L1297 HydrophobicContact CD2-CD1 4.5Å; F1235-L1297 HydrophobicContact CE2-CD1 4.31Å; F1235-L1297 HydrophobicContact CE2-CD2 3.9Å; F1235-L1297 HydrophobicContact CE2-CG 4.05Å; F1235-L1297 HydrophobicContact CZ-CD2 4.12Å; E1238-L1297 HydrophobicContact CB-CD1 4.43Å; E1238-L1297 HydrophobicContact CG-CD1 3.62Å; V1239-L1297 HydrophobicContact CG2-CD2 3.86Å; V1294-L1297 VanDerWaalsContact O-CB 3.32Å; V1294-L1297 WeakPolarHBondContact O-CB 3.45Å; V1294-L1297 PolarHBondContact O-N 2.74Å; K1295-L1297 PolarHBondContact O-N 2.89Å; L1297-C1322 HydrophobicContact CB-CB 4.11Å; L1297-C1322 HydrophobicContact CD2-CB 4.19Å; L1297-C1322 HydrophobicContact CG-CB 4.04Å; L1297-C1322 WeakPolarHBondContact O-CB 3.32Å; L1297-C1322 PolarHBondContact O-N 3.11Å
1298R93.6Very high90.4Very high79 Ų7953.2 Ų53.230%0.29828%0.284SS..EExtended strand (participates in β ladder)trans-114.6146.1173.9-44.8-165.689.1-148.82.7110.3A1079 L1080 T1319 R1320A1079-R1298 WeakPolarHBondContact O-CD 3.41Å; L1080-R1298 WeakPolarHBondContact O-CB 3.48Å; L1080-R1298 PolarHBondContact O-N 3.29Å; R1298-T1319 PolarHBondContact NH1-O 2.9Å; R1298-T1319 PolarHBondContact NH1-OG1 2.82Å; R1298-T1319 PolarHBondContact NH2-O 3.46Å; R1298-R1320 CarbonylContact C-O 3.49Å; R1298-R1320 WeakPolarHBondContact CA-O 3.48Å; R1298-R1320 VanDerWaalsContact CB-O 3.29Å; R1298-R1320 WeakPolarHBondContact CB-O 3.4Å
1299I93.8Very high90.3Very high4 Ų449.2 Ų49.22%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-121.7147.1-179.8-166.5172.8000108.9F1235 F1306 T1319 R1320 C1322 D1326 V1330F1235-I1299 HydrophobicContact CE2-CB 4.04Å; F1235-I1299 HydrophobicContact CE2-CD1 4.4Å; F1235-I1299 HydrophobicContact CE2-CG1 3.97Å; F1235-I1299 HydrophobicContact CZ-CD1 4.19Å; F1235-I1299 HydrophobicContact CZ-CG1 4.25Å; I1299-F1306 HydrophobicContact CD1-CE2 4.31Å; I1299-F1306 HydrophobicContact CD1-CZ 4.08Å; I1299-F1306 HydrophobicContact CG1-CE2 4.03Å; I1299-F1306 HydrophobicContact CG1-CZ 3.73Å; I1299-T1319 VanDerWaalsContact O-CA 3.28Å; I1299-T1319 WeakPolarHBondContact O-CA 3.47Å; I1299-T1319 WeakPolarHBondContact O-CB 3.37Å; I1299-R1320 HydrophobicContact CG2-CG 3.92Å; I1299-R1320 PolarHBondContact N-O 3.07Å; I1299-R1320 PolarHBondContact O-N 2.92Å; I1299-C1322 HydrophobicContact CB-CB 4.05Å; I1299-C1322 HydrophobicContact CG2-CB 4.11Å; I1299-D1326 HydrophobicContact CD1-CB 3.86Å; I1299-V1330 HydrophobicContact CD1-CG2 4.07Å
1300P91.8Very high89.8Confident3 Ų349 Ų492%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-50.4148167.4-27.435.8000112L1080 V1231 N1302 E1305 F1306 P1317 E1318L1080-P1300 HydrophobicContact CD2-CG 4.47Å; V1231-P1300 HydrophobicContact CG1-CG 3.87Å; P1300-N1302 VanDerWaalsContact C-N 3.27Å; P1300-N1302 PolarHBondContact O-N 3.09Å; P1300-E1305 HydrophobicContact CB-CB 3.73Å; P1300-F1306 HydrophobicContact CB-CD2 4.16Å; P1300-F1306 HydrophobicContact CB-CE2 4.2Å; P1300-F1306 HydrophobicContact CG-CD1 4.21Å; P1300-F1306 HydrophobicContact CG-CD2 3.94Å; P1300-F1306 HydrophobicContact CG-CE1 4.16Å; P1300-F1306 HydrophobicContact CG-CE2 3.91Å; P1300-F1306 HydrophobicContact CG-CG 4.15Å; P1300-F1306 HydrophobicContact CG-CZ 4.04Å; P1300-P1317 HydrophobicContact CB-CB 4.46Å; P1300-P1317 HydrophobicContact CG-CB 4.47Å; P1300-P1317 HydrophobicContact CG-CG 4.27Å; P1300-E1318 WeakPolarHBondContact CA-O 3.21Å
1301V88.1Confident89.3Confident52 Ų5250 Ų5032%0.31528%0.283SS..SBendtrans-61.9-40.6-174.9-179.70000110.5E1305 E1318V1301-E1305 WeakPolarHBondContact CA-OE2 3.49Å; V1301-E1305 WeakPolarHBondContact CB-OE2 3.45Å; V1301-E1305 PolarHBondContact N-OE2 2.86Å; V1301-E1318 HydrophobicContact CG2-CB 4.12Å; V1301-E1318 HydrophobicContact CG2-CG 3.98Å; V1301-E1318 PolarHBondContact N-O 2.85Å; V1301-E1318 VanDerWaalsContact N-O 3.15Å
1302N86.9Confident88.2Confident91 Ų9151.8 Ų51.849%0.48729%0.289SS..SBendtrans-123.4149.4179.7-61.7-74.4000112.3P1300 N1304 E1305P1300-N1302 VanDerWaalsContact C-N 3.27Å; P1300-N1302 PolarHBondContact O-N 3.09Å; N1302-N1304 PolarHBondContact O-N 2.98Å; N1302-E1305 HydrophobicContact CB-CG 4.37Å; N1302-E1305 WeakPolarHBondContact CB-OE1 3.48Å; N1302-E1305 PolarHBondContact N-OE2 2.82Å; N1302-E1305 PolarHBondContact ND2-OE1 3.35Å; N1302-E1305 WeakPolarHBondContact O-CB 3.42Å; N1302-E1305 PolarHBondContact O-N 3.39Å
1303M84.4Confident86.9Confident44 Ų4448.2 Ų48.222%0.21728%0.279CS..G310 helixtrans-57.8-25.2176.5-69.4-66.5-92.400113.3W1205 E1305 F1306 V1330 E1333W1205-M1303 HydrophobicContact CD2-CE 4.43Å; W1205-M1303 HydrophobicContact CE3-CE 4.47Å; W1205-M1303 HydrophobicContact CH2-CE 3.68Å; W1205-M1303 HydrophobicContact CH2-SD 4.36Å; W1205-M1303 HydrophobicContact CZ2-CE 3.62Å; W1205-M1303 HydrophobicContact CZ2-SD 3.96Å; W1205-M1303 HydrophobicContact CZ3-CE 4.13Å; W1205-M1303 PolarHBondContact NE1-O 3.31Å; M1303-E1305 VanDerWaalsContact C-N 3.32Å; M1303-E1305 PolarHBondContact O-N 3.16Å; M1303-F1306 HydrophobicContact SD-CD2 4.44Å; M1303-F1306 HydrophobicContact SD-CE2 4Å; M1303-V1330 HydrophobicContact CE-CG2 4.12Å; M1303-V1330 HydrophobicContact SD-CG2 4.13Å; M1303-E1333 HydrophobicContact CE-CG 4.16Å
1304N84.9Confident85.2Confident131 Ų13154.1 Ų54.170%0.70132%0.315SS*.G310 helixtrans-73.3-22.5177.9-61.5-7.1000112.9N1302 F1306 G1307N1302-N1304 PolarHBondContact O-N 2.98Å; N1304-F1306 VanDerWaalsContact C-N 3.25Å; N1304-F1306 PolarHBondContact O-N 2.76Å; N1304-G1307 PolarHBondContact O-N 2.79Å
1305E87.5Confident84.1Confident59 Ų5958 Ų5828%0.27634%0.339SS..G310 helixtrans-78.5-9.3-179.3-70.8157.8-152.700113.1P1300 V1301 N1302 M1303 G1307 P1317P1300-E1305 HydrophobicContact CB-CB 3.73Å; V1301-E1305 WeakPolarHBondContact CA-OE2 3.49Å; V1301-E1305 WeakPolarHBondContact CB-OE2 3.45Å; V1301-E1305 PolarHBondContact N-OE2 2.86Å; N1302-E1305 HydrophobicContact CB-CG 4.37Å; N1302-E1305 WeakPolarHBondContact CB-OE1 3.48Å; N1302-E1305 PolarHBondContact N-OE2 2.82Å; N1302-E1305 PolarHBondContact ND2-OE1 3.35Å; N1302-E1305 WeakPolarHBondContact O-CB 3.42Å; N1302-E1305 PolarHBondContact O-N 3.39Å; M1303-E1305 VanDerWaalsContact C-N 3.32Å; M1303-E1305 PolarHBondContact O-N 3.16Å; E1305-G1307 PolarHBondContact O-N 3.18Å; E1305-P1317 HydrophobicContact CB-CB 4.43Å
1306F89.6Confident83.5Confident1 Ų153.9 Ų53.90%0.00433%0.325CS..G310 helixtrans-63-13.8161.3-73.5-92.6000112.2W1205 A1207 S1229 V1231 L1232 F1235 I1299 P1300 M1303 N1304 V1330W1205-F1306 HydrophobicContact CH2-CD2 4.41Å; W1205-F1306 HydrophobicContact CH2-CE2 4.49Å; W1205-F1306 HydrophobicContact CH2-CG 4.37Å; W1205-F1306 HydrophobicContact CZ2-CB 3.9Å; W1205-F1306 HydrophobicContact CZ2-CD1 4.23Å; W1205-F1306 AromaticContact CZ2-CD2 3.59Å; W1205-F1306 HydrophobicContact CZ2-CD2 3.59Å; W1205-F1306 HydrophobicContact CZ2-CE2 4.02Å; W1205-F1306 AromaticContact CZ2-CG 3.66Å; W1205-F1306 HydrophobicContact CZ2-CG 3.66Å; W1205-F1306 HydrophobicContact CZ2-CZ 4.5Å; A1207-F1306 HydrophobicContact CB-CB 3.77Å; S1229-F1306 WeakPolarHBondContact CB-O 3.25Å; S1229-F1306 PolarHBondContact OG-O 3.2Å; V1231-F1306 HydrophobicContact CG1-CD1 4.12Å; L1232-F1306 HydrophobicContact CB-CD1 3.87Å; L1232-F1306 HydrophobicContact CD1-CD1 3.74Å; L1232-F1306 HydrophobicContact CD1-CE1 3.78Å; L1232-F1306 HydrophobicContact CG-CD1 4.41Å; F1235-F1306 HydrophobicContact CB-CE1 3.96Å; F1235-F1306 AromaticContact CD1-CE1 3.97Å; F1235-F1306 HydrophobicContact CD1-CE1 3.97Å; F1235-F1306 HydrophobicContact CD1-CZ 4.31Å; F1235-F1306 AromaticContact CG-CE1 3.91Å; F1235-F1306 HydrophobicContact CG-CE1 3.91Å; F1235-F1306 HydrophobicContact CG-CZ 4.37Å; I1299-F1306 HydrophobicContact CD1-CE2 4.31Å; I1299-F1306 HydrophobicContact CD1-CZ 4.08Å; I1299-F1306 HydrophobicContact CG1-CE2 4.03Å; I1299-F1306 HydrophobicContact CG1-CZ 3.73Å; P1300-F1306 HydrophobicContact CB-CD2 4.16Å; P1300-F1306 HydrophobicContact CB-CE2 4.2Å; P1300-F1306 HydrophobicContact CG-CD1 4.21Å; P1300-F1306 HydrophobicContact CG-CD2 3.94Å; P1300-F1306 HydrophobicContact CG-CE1 4.16Å; P1300-F1306 HydrophobicContact CG-CE2 3.91Å; P1300-F1306 HydrophobicContact CG-CG 4.15Å; P1300-F1306 HydrophobicContact CG-CZ 4.04Å; M1303-F1306 HydrophobicContact SD-CD2 4.44Å; M1303-F1306 HydrophobicContact SD-CE2 4Å; N1304-F1306 VanDerWaalsContact C-N 3.25Å; N1304-F1306 PolarHBondContact O-N 2.76Å; F1306-V1330 HydrophobicContact CZ-CG2 4.21Å
1307G88.1Confident83.1Confident23 Ų2353.6 Ų53.624%0.23732%0.318CS..  trans74.6-152.317100000113.5T1206 A1207 N1304 E1305T1206-G1307 CarbonylContact C-O 3.55Å; T1206-G1307 PolarHBondContact OG1-O 2.78Å; A1207-G1307 VanDerWaalsContact CA-O 3.23Å; A1207-G1307 WeakPolarHBondContact CA-O 3.31Å; A1207-G1307 PolarHBondContact N-O 2.83Å; A1207-G1307 VanDerWaalsContact N-O 3.12Å; N1304-G1307 PolarHBondContact O-N 2.79Å; E1305-G1307 PolarHBondContact O-N 3.18Å
1308T88.7Confident82.8Confident75 Ų7560.7 Ų60.746%0.4635%0.351SS..  trans-119137.5-171.4-50.10000112.3T1206 S1229 S1311T1206-T1308 CarbonylContact O-C 3.56Å; T1206-T1308 VanDerWaalsContact O-CA 3.28Å; T1206-T1308 WeakPolarHBondContact O-CA 3.41Å; S1229-T1308 WeakPolarHBondContact CB-O 3.48Å; T1308-S1311 WeakPolarHBondContact O-CB 3.37Å; T1308-S1311 PolarHBondContact O-N 3.11Å; T1308-S1311 PolarHBondContact O-OG 2.83Å
1309A87.2Confident82.7Confident19 Ų1957.8 Ų57.816%0.15734%0.343CS..THydrogen-bonded Turntrans-56.3140.617500000112.3T1206 G1209 S1311T1206-A1309 PolarHBondContact O-N 2.83Å; G1209-A1309 VanDerWaalsContact N-CB 3.28Å; A1309-S1311 PolarHBondContact O-N 3.3Å; A1309-S1311 VanDerWaalsContact O-N 3.13Å
1310G79.9Confident82.7Confident36 Ų3661.8 Ų61.837%0.37136%0.357SS..THydrogen-bonded Turntrans70.4-3.1-178.700000116.3
1311S81.7Confident82.7Confident44 Ų4468.3 Ų68.331%0.30839%0.388SS..  trans-78.3154.8178.671.40000113.5P1230 T1308 A1309 C1313P1230-S1311 WeakPolarHBondContact CD-O 3.19Å; P1230-S1311 VanDerWaalsContact CG-O 3.25Å; P1230-S1311 WeakPolarHBondContact CG-O 3.44Å; T1308-S1311 WeakPolarHBondContact O-CB 3.37Å; T1308-S1311 PolarHBondContact O-N 3.11Å; T1308-S1311 PolarHBondContact O-OG 2.83Å; A1309-S1311 PolarHBondContact O-N 3.3Å; A1309-S1311 VanDerWaalsContact O-N 3.13Å; S1311-C1313 PolarHBondContact O-N 3.45Å
1312T69.5Low82.9Confident87 Ų8766.3 Ų66.353%0.53438%0.376SS..  trans-90.583.417343.60000110.7M1 T1314M1-T1312 HydrophobicContact CE-CG2 4.28Å; M1-T1312 HydrophobicContact CG-CG2 4.45Å; M1-T1312 HydrophobicContact SD-CG2 4.18Å; T1312-T1314 PolarHBondContact O-N 3.26Å
1313C65.3Low83.2Confident45 Ų4564.9 Ų64.930%0.30437%0.371SS..  trans-76.3118.9175.6-161.50000110.6F1077 P1230 S1311F1077-C1313 HydrophobicContact CZ-CB 4.46Å; P1230-C1313 HydrophobicContact CB-CB 4.36Å; P1230-C1313 HydrophobicContact CG-CB 4.3Å; S1311-C1313 PolarHBondContact O-N 3.45Å
1314T57.1Low83.6Confident127 Ų12764.3 Ų64.378%0.77937%0.369SS*.  trans-112.8-1.2-17653.10000114.1T1312T1312-T1314 PolarHBondContact O-N 3.26Å
1315T71.8Confident83.8Confident98 Ų9865.7 Ų65.760%0.60137%0.371SS*.SBendtrans-121.8126.8-177.850.50000110.2
1316D78.5Confident84Confident87 Ų8764.2 Ų64.247%0.46537%0.365SS..PPolyproline II helixtrans-53.5128.9170-75.538.5000109.8F1077 A1079F1077-D1316 HydrophobicContact CD1-CB 4.41Å; A1079-D1316 HydrophobicContact CB-CB 3.93Å; A1079-D1316 WeakPolarHBondContact CB-OD2 3.42Å; A1079-D1316 PolarHBondContact N-OD2 3.21Å
1317P84.1Confident84.1Confident19 Ų1964.2 Ų64.212%0.12337%0.366CS..PPolyproline II helixtrans-67.1159.7174.530.3-36.2000110.7V1231 P1300 E1305 T1319V1231-P1317 HydrophobicContact CG1-CG 3.89Å; V1231-P1317 HydrophobicContact CG2-CG 4.36Å; P1300-P1317 HydrophobicContact CB-CB 4.46Å; P1300-P1317 HydrophobicContact CG-CB 4.47Å; P1300-P1317 HydrophobicContact CG-CG 4.27Å; E1305-P1317 HydrophobicContact CB-CB 4.43Å; P1317-T1319 HydrophobicContact CG-CG2 4.25Å
1318E86.4Confident84.2Confident150 Ų15064.6 Ų64.670%0.70136%0.363SS*.PPolyproline II helixtrans-70.7135.7168.7-163.6164.2-156.700108.8P1300 V1301P1300-E1318 WeakPolarHBondContact CA-O 3.21Å; V1301-E1318 HydrophobicContact CG2-CB 4.12Å; V1301-E1318 HydrophobicContact CG2-CG 3.98Å; V1301-E1318 PolarHBondContact N-O 2.85Å; V1301-E1318 VanDerWaalsContact N-O 3.15Å
1319T91.5Very high84.1Confident19 Ų1966.1 Ų66.112%0.11736%0.364CS..EExtended strand (participates in β ladder)trans-132.4146.5-172.667.30000114.1A1079 L1080 R1298 I1299 P1317A1079-T1319 HydrophobicContact CB-CG2 4.02Å; A1079-T1319 WeakPolarHBondContact O-CB 3.05Å; A1079-T1319 WeakPolarHBondContact O-CG2 3.12Å; A1079-T1319 PolarHBondContact O-OG1 3.29Å; L1080-T1319 HydrophobicContact CD2-CG2 4.1Å; R1298-T1319 PolarHBondContact NH1-O 2.9Å; R1298-T1319 PolarHBondContact NH1-OG1 2.82Å; R1298-T1319 PolarHBondContact NH2-O 3.46Å; I1299-T1319 VanDerWaalsContact O-CA 3.28Å; I1299-T1319 WeakPolarHBondContact O-CA 3.47Å; I1299-T1319 WeakPolarHBondContact O-CB 3.37Å; P1317-T1319 HydrophobicContact CG-CG2 4.25Å
1320R93Very high84.4Confident87 Ų8765.2 Ų65.233%0.32836%0.356SS..EExtended strand (participates in β ladder)trans-120.3171.2172.462.4178.3-17983.6-7.7110.6R1298 I1299 D1326R1298-R1320 CarbonylContact C-O 3.49Å; R1298-R1320 WeakPolarHBondContact CA-O 3.48Å; R1298-R1320 VanDerWaalsContact CB-O 3.29Å; R1298-R1320 WeakPolarHBondContact CB-O 3.4Å; I1299-R1320 HydrophobicContact CG2-CG 3.92Å; I1299-R1320 PolarHBondContact N-O 3.07Å; I1299-R1320 PolarHBondContact O-N 2.92Å; R1320-D1326 IonicContact CZ-OD1 2.74Å; R1320-D1326 IonicContact CZ-OD2 2.82Å; R1320-D1326 IonicContact NH1-OD1 2.91Å; R1320-D1326 IonicContact NH1-OD2 3.41Å; R1320-D1326 PolarHBondContact NH1-OD2 2.88Å; R1320-D1326 VanDerWaalsContact NH2-CG 3.34Å; R1320-D1326 IonicContact NH2-OD1 3.6Å; R1320-D1326 PolarHBondContact NH2-OD1 2.81Å; R1320-D1326 IonicContact NH2-OD2 2.83Å; R1320-D1326 PolarHBondContact NH2-OD2 3.06Å
1321E92.7Very high84.9Confident141 Ų14163.5 Ų63.566%0.65934%0.339SS*.EExtended strand (participates in β ladder)trans-64.2140.5171.6-65.9-170.1144.500110.7
1322C92.7Very high85.1Confident9 Ų965.1 Ų65.16%0.06134%0.341CS..PPolyproline II helixtrans-83.9127.8177.4-168.50000109.6L1297 I1299L1297-C1322 HydrophobicContact CB-CB 4.11Å; L1297-C1322 HydrophobicContact CD2-CB 4.19Å; L1297-C1322 HydrophobicContact CG-CB 4.04Å; L1297-C1322 WeakPolarHBondContact O-CB 3.32Å; L1297-C1322 PolarHBondContact O-N 3.11Å; I1299-C1322 HydrophobicContact CB-CB 4.05Å; I1299-C1322 HydrophobicContact CG2-CB 4.11Å
1323T93.4Very high85.9Confident62 Ų6263.4 Ų63.438%0.3833%0.327SS..PPolyproline II helixtrans-92.3167.3170.969.20000111E1325 D1326 L1327T1323-E1325 VanDerWaalsContact C-N 3.26Å; T1323-E1325 PolarHBondContact O-N 2.7Å; T1323-D1326 WeakPolarHBondContact CB-OD2 3.35Å; T1323-D1326 WeakPolarHBondContact CG2-OD2 3.37Å; T1323-D1326 PolarHBondContact N-OD2 3.06Å; T1323-D1326 PolarHBondContact O-N 2.89Å; T1323-D1326 PolarHBondContact OG1-N 2.89Å; T1323-D1326 VanDerWaalsContact OG1-N 3.13Å; T1323-D1326 PolarHBondContact OG1-OD2 3Å; T1323-L1327 PolarHBondContact O-N 3.37Å; T1323-L1327 VanDerWaalsContact O-N 3.12Å
1324V91.4Very high87.1Confident31 Ų3161.2 Ų61.219%0.18831%0.313CS..Hα-helixtrans-60-39.5173.1173.70000111.1M1287 K1290 V1294 L1327 V1328M1287-V1324 HydrophobicContact CE-CG1 4.44Å; K1290-V1324 HydrophobicContact CB-CG1 3.8Å; K1290-V1324 HydrophobicContact CB-CG2 4.08Å; K1290-V1324 HydrophobicContact CD-CG1 4.15Å; K1290-V1324 HydrophobicContact CG-CG1 4.35Å; V1294-V1324 HydrophobicContact CG1-CG2 4.39Å; V1294-V1324 HydrophobicContact CG2-CG2 3.88Å; V1324-L1327 PolarHBondContact O-N 3.45Å; V1324-V1328 HydrophobicContact CG1-CG2 4.25Å; V1324-V1328 WeakPolarHBondContact O-CB 3.37Å; V1324-V1328 VanDerWaalsContact O-CG2 3.29Å; V1324-V1328 WeakPolarHBondContact O-CG2 3.34Å; V1324-V1328 PolarHBondContact O-N 2.73Å
1325E89.5Confident88.4Confident160 Ų16056.6 Ų56.675%0.74829%0.285SS*.Hα-helixtrans-64.8-41177.9-64.9175.6-179.200112T1323 K1329T1323-E1325 VanDerWaalsContact C-N 3.26Å; T1323-E1325 PolarHBondContact O-N 2.7Å; E1325-K1329 VanDerWaalsContact O-CB 3.25Å; E1325-K1329 WeakPolarHBondContact O-CB 3Å; E1325-K1329 PolarHBondContact O-N 3.09Å
1326D91.8Very high88.8Confident28 Ų2857.9 Ų57.915%0.1528%0.279CS..Hα-helixtrans-61-47.2175.6-66.6-54.2000111.9I1299 R1320 T1323 K1329 V1330I1299-D1326 HydrophobicContact CD1-CB 3.86Å; R1320-D1326 IonicContact CZ-OD1 2.74Å; R1320-D1326 IonicContact CZ-OD2 2.82Å; R1320-D1326 IonicContact NH1-OD1 2.91Å; R1320-D1326 IonicContact NH1-OD2 3.41Å; R1320-D1326 PolarHBondContact NH1-OD2 2.88Å; R1320-D1326 VanDerWaalsContact NH2-CG 3.34Å; R1320-D1326 IonicContact NH2-OD1 3.6Å; R1320-D1326 PolarHBondContact NH2-OD1 2.81Å; R1320-D1326 IonicContact NH2-OD2 2.83Å; R1320-D1326 PolarHBondContact NH2-OD2 3.06Å; T1323-D1326 WeakPolarHBondContact CB-OD2 3.35Å; T1323-D1326 WeakPolarHBondContact CG2-OD2 3.37Å; T1323-D1326 PolarHBondContact N-OD2 3.06Å; T1323-D1326 PolarHBondContact O-N 2.89Å; T1323-D1326 PolarHBondContact OG1-N 2.89Å; T1323-D1326 VanDerWaalsContact OG1-N 3.13Å; T1323-D1326 PolarHBondContact OG1-OD2 3Å; D1326-K1329 PolarHBondContact O-N 3.42Å; D1326-V1330 WeakPolarHBondContact O-CG2 3.41Å; D1326-V1330 PolarHBondContact O-N 2.86Å
1327L92.8Very high89Confident1 Ų154.1 Ų54.11%0.00526%0.259CS..Hα-helixtrans-64.3-48.7179.1176.765.9000111.1F1235 V1239 V1282 L1293 V1294 T1323 V1324 K1329 V1330 V1331F1235-L1327 HydrophobicContact CE1-CD1 4.25Å; F1235-L1327 HydrophobicContact CZ-CD1 4.17Å; V1239-L1327 HydrophobicContact CG1-CD1 4.08Å; V1239-L1327 HydrophobicContact CG2-CD1 3.82Å; V1282-L1327 HydrophobicContact CG1-CD2 3.85Å; V1282-L1327 HydrophobicContact CG1-CG 4.06Å; L1293-L1327 HydrophobicContact CD2-CD2 3.55Å; V1294-L1327 HydrophobicContact CG1-CB 3.95Å; V1294-L1327 HydrophobicContact CG1-CD2 3.73Å; V1294-L1327 HydrophobicContact CG1-CG 4.48Å; T1323-L1327 PolarHBondContact O-N 3.37Å; T1323-L1327 VanDerWaalsContact O-N 3.12Å; V1324-L1327 PolarHBondContact O-N 3.45Å; L1327-K1329 VanDerWaalsContact C-N 3.26Å; L1327-K1329 PolarHBondContact O-N 3.48Å; L1327-V1330 PolarHBondContact O-N 2.86Å; L1327-V1330 VanDerWaalsContact O-N 3.16Å; L1327-V1331 HydrophobicContact CD1-CG2 4.35Å; L1327-V1331 WeakPolarHBondContact O-CG2 3.15Å; L1327-V1331 PolarHBondContact O-N 3.3Å
1328V89Confident88.8Confident32 Ų3254.2 Ų54.219%0.19426%0.258CS..Hα-helixtrans-58.2-42.1178.1168.90000110.3V1324 V1330 V1331 E1332V1324-V1328 HydrophobicContact CG1-CG2 4.25Å; V1324-V1328 WeakPolarHBondContact O-CB 3.37Å; V1324-V1328 VanDerWaalsContact O-CG2 3.29Å; V1324-V1328 WeakPolarHBondContact O-CG2 3.34Å; V1324-V1328 PolarHBondContact O-N 2.73Å; V1328-V1330 PolarHBondContact O-N 3.16Å; V1328-V1331 PolarHBondContact O-N 2.81Å; V1328-E1332 HydrophobicContact CG1-CG 4.25Å; V1328-E1332 WeakPolarHBondContact O-CB 3.34Å; V1328-E1332 WeakPolarHBondContact O-CG 3.5Å; V1328-E1332 PolarHBondContact O-N 2.92Å
1329K87.3Confident89Confident107 Ų10749.4 Ų49.447%0.46524%0.235SC..Hα-helixtrans-60.7-44.5175.8-176.3179.6-179.5179.60112.7E1325 D1326 L1327 V1331 E1332 E1333E1325-K1329 VanDerWaalsContact O-CB 3.25Å; E1325-K1329 WeakPolarHBondContact O-CB 3Å; E1325-K1329 PolarHBondContact O-N 3.09Å; D1326-K1329 PolarHBondContact O-N 3.42Å; L1327-K1329 VanDerWaalsContact C-N 3.26Å; L1327-K1329 PolarHBondContact O-N 3.48Å; K1329-V1331 VanDerWaalsContact C-N 3.34Å; K1329-E1332 PolarHBondContact O-N 3.07Å; K1329-E1333 WeakPolarHBondContact O-CG 3.47Å; K1329-E1333 PolarHBondContact O-N 3Å
1330V92.7Very high88.8Confident0 Ų051 Ų510%024%0.242CC..Hα-helixtrans-61.3-44.4175.7171.80000110.9W1205 L1232 F1235 L1236 I1299 M1303 F1306 D1326 L1327 V1328 E1333 M1334W1205-V1330 HydrophobicContact CH2-CG1 4.11Å; W1205-V1330 HydrophobicContact CH2-CG2 4.39Å; W1205-V1330 HydrophobicContact CZ3-CG1 4.41Å; L1232-V1330 HydrophobicContact CD1-CG1 4.32Å; F1235-V1330 HydrophobicContact CD1-CG1 4.4Å; F1235-V1330 HydrophobicContact CE1-CB 4.34Å; F1235-V1330 HydrophobicContact CE1-CG1 3.97Å; F1235-V1330 HydrophobicContact CE1-CG2 4.32Å; L1236-V1330 HydrophobicContact CD2-CG1 4.12Å; I1299-V1330 HydrophobicContact CD1-CG2 4.07Å; M1303-V1330 HydrophobicContact CE-CG2 4.12Å; M1303-V1330 HydrophobicContact SD-CG2 4.13Å; F1306-V1330 HydrophobicContact CZ-CG2 4.21Å; D1326-V1330 WeakPolarHBondContact O-CG2 3.41Å; D1326-V1330 PolarHBondContact O-N 2.86Å; L1327-V1330 PolarHBondContact O-N 2.86Å; L1327-V1330 VanDerWaalsContact O-N 3.16Å; V1328-V1330 PolarHBondContact O-N 3.16Å; V1330-E1333 PolarHBondContact O-N 2.86Å; V1330-M1334 WeakPolarHBondContact O-CG 3.24Å; V1330-M1334 PolarHBondContact O-N 2.74Å; V1330-M1334 VanDerWaalsContact O-N 3.16Å
1331V91.9Very high88.6Confident0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-64.7-42.1178.6177.90000111.3I1279 E1280 V1282 T1283 L1327 V1328 K1329 E1333 M1334 S1335I1279-V1331 HydrophobicContact CG2-CG1 4.3Å; I1279-V1331 HydrophobicContact CG2-CG2 3.83Å; E1280-V1331 HydrophobicContact CG-CG1 4.44Å; V1282-V1331 HydrophobicContact CB-CG2 4.1Å; V1282-V1331 HydrophobicContact CG1-CG2 4.16Å; V1282-V1331 HydrophobicContact CG2-CG2 4.33Å; T1283-V1331 HydrophobicContact CG2-CG1 3.75Å; L1327-V1331 HydrophobicContact CD1-CG2 4.35Å; L1327-V1331 WeakPolarHBondContact O-CG2 3.15Å; L1327-V1331 PolarHBondContact O-N 3.3Å; V1328-V1331 PolarHBondContact O-N 2.81Å; K1329-V1331 VanDerWaalsContact C-N 3.34Å; V1331-E1333 PolarHBondContact O-N 2.83Å; V1331-M1334 PolarHBondContact O-N 3Å; V1331-M1334 VanDerWaalsContact O-N 3.11Å; V1331-S1335 PolarHBondContact O-N 2.94Å; V1331-S1335 PolarHBondContact O-OG 2.59Å
1332E84.8Confident88.4Confident78 Ų7843.6 Ų43.636%0.36421%0.212SC..Hα-helixtrans-61.7-38.1175.9-76.3-178176.300113V1328 K1329 M1334 S1335 R1336V1328-E1332 HydrophobicContact CG1-CG 4.25Å; V1328-E1332 WeakPolarHBondContact O-CB 3.34Å; V1328-E1332 WeakPolarHBondContact O-CG 3.5Å; V1328-E1332 PolarHBondContact O-N 2.92Å; K1329-E1332 PolarHBondContact O-N 3.07Å; E1332-M1334 VanDerWaalsContact C-N 3.34Å; E1332-S1335 PolarHBondContact O-N 2.79Å; E1332-R1336 WeakPolarHBondContact O-CG 3.49Å; E1332-R1336 PolarHBondContact O-N 2.51Å
1333E85.9Confident88.1Confident50 Ų5045.8 Ų45.823%0.23422%0.221CC..Hα-helixtrans-66.3-34.9173.1-64.8-55.9158.900112.2W1205 M1303 K1329 V1330 V1331 R1336W1205-E1333 HydrophobicContact CE3-CB 4.17Å; W1205-E1333 HydrophobicContact CZ3-CB 4.28Å; M1303-E1333 HydrophobicContact CE-CG 4.16Å; K1329-E1333 WeakPolarHBondContact O-CG 3.47Å; K1329-E1333 PolarHBondContact O-N 3Å; V1330-E1333 PolarHBondContact O-N 2.86Å; V1331-E1333 PolarHBondContact O-N 2.83Å; E1333-R1336 PolarHBondContact O-N 2.99Å; E1333-R1336 IonicContact OE1-CZ 3.91Å; E1333-R1336 IonicContact OE1-NH1 2.92Å; E1333-R1336 PolarHBondContact OE1-NH1 3.25Å; E1333-R1336 IonicContact OE1-NH2 3.58Å; E1333-R1336 IonicContact OE2-CZ 2.76Å; E1333-R1336 IonicContact OE2-NE 2.59Å; E1333-R1336 IonicContact OE2-NH1 2.89Å; E1333-R1336 PolarHBondContact OE2-NH1 3.45Å
1334M90.7Very high87.7Confident0 Ų044.7 Ų44.70%021%0.211CC..Hα-helixtrans-69.7-39.4174.2-62.3-55.9-6700112Y5 W1205 V1208 V1228 L1232 L1236 V1330 V1331 E1332 R1336 L1337Y5-M1334 HydrophobicContact CD1-CE 3.48Å; Y5-M1334 VanDerWaalsContact CD1-CE 3.48Å; Y5-M1334 HydrophobicContact CD2-CE 3.53Å; Y5-M1334 HydrophobicContact CE1-CB 4.37Å; Y5-M1334 HydrophobicContact CE1-CE 3.73Å; Y5-M1334 HydrophobicContact CE2-CB 4.41Å; Y5-M1334 HydrophobicContact CE2-CE 3.76Å; Y5-M1334 HydrophobicContact CE2-CG 4.49Å; Y5-M1334 HydrophobicContact CG-CE 3.36Å; W1205-M1334 HydrophobicContact CZ3-SD 4.24Å; V1208-M1334 HydrophobicContact CG2-CE 4.46Å; V1208-M1334 HydrophobicContact CG2-SD 3.96Å; V1228-M1334 HydrophobicContact CG1-CE 4.39Å; L1232-M1334 HydrophobicContact CD2-SD 4.15Å; L1236-M1334 HydrophobicContact CD1-CE 4.13Å; L1236-M1334 HydrophobicContact CD1-CG 4.48Å; L1236-M1334 HydrophobicContact CD1-SD 4.42Å; V1330-M1334 WeakPolarHBondContact O-CG 3.24Å; V1330-M1334 PolarHBondContact O-N 2.74Å; V1330-M1334 VanDerWaalsContact O-N 3.16Å; V1331-M1334 PolarHBondContact O-N 3Å; V1331-M1334 VanDerWaalsContact O-N 3.11Å; E1332-M1334 VanDerWaalsContact C-N 3.34Å; M1334-R1336 PolarHBondContact O-N 2.9Å; M1334-L1337 HydrophobicContact CE-CD1 3.71Å; M1334-L1337 VanDerWaalsContact O-CB 3.29Å; M1334-L1337 WeakPolarHBondContact O-CB 3.29Å; M1334-L1337 WeakPolarHBondContact O-CD1 3.24Å; M1334-L1337 VanDerWaalsContact O-CG 3.23Å; M1334-L1337 WeakPolarHBondContact O-CG 3.45Å; M1334-L1337 PolarHBondContact O-N 3.17Å; M1334-L1337 HydrophobicContact SD-CD1 4.11Å
1335S85.1Confident87.5Confident29 Ų2945.6 Ų45.620%0.20321%0.212CC..Hα-helixtrans-67-17.3175.9-60.90000114.2E1280 V1331 E1332 L1337E1280-S1335 WeakPolarHBondContact CG-OG 3.41Å; E1280-S1335 WeakPolarHBondContact OE1-CA 3.12Å; E1280-S1335 PolarHBondContact OE1-OG 3.21Å; E1280-S1335 PolarHBondContact OE2-OG 3.23Å; V1331-S1335 PolarHBondContact O-N 2.94Å; V1331-S1335 PolarHBondContact O-OG 2.59Å; E1332-S1335 PolarHBondContact O-N 2.79Å; S1335-L1337 PolarHBondContact O-N 3.19Å
1336R80.4Confident87.3Confident125 Ų12536.8 Ų36.847%0.47217%0.171SC..THydrogen-bonded Turntrans-79.91.2173.5-72.8176-163159.611.9114Q1199 E1332 E1333 M1334Q1199-R1336 PolarHBondContact NE2-O 3.24Å; E1332-R1336 WeakPolarHBondContact O-CG 3.49Å; E1332-R1336 PolarHBondContact O-N 2.51Å; E1333-R1336 PolarHBondContact O-N 2.99Å; E1333-R1336 IonicContact OE1-CZ 3.91Å; E1333-R1336 IonicContact OE1-NH1 2.92Å; E1333-R1336 PolarHBondContact OE1-NH1 3.25Å; E1333-R1336 IonicContact OE1-NH2 3.58Å; E1333-R1336 IonicContact OE2-CZ 2.76Å; E1333-R1336 IonicContact OE2-NE 2.59Å; E1333-R1336 IonicContact OE2-NH1 2.89Å; E1333-R1336 PolarHBondContact OE2-NH1 3.45Å; M1334-R1336 PolarHBondContact O-N 2.9Å
1337L82.4Confident86.9Confident9 Ų937.6 Ų37.65%0.04717%0.173CC..THydrogen-bonded Turntrans-81.3-18.3-179.2-63.5171.3000113.4N1195 V1208 L1224 V1226 M1334 S1335N1195-L1337 PolarHBondContact ND2-O 3.25Å; V1208-L1337 HydrophobicContact CG1-CD1 3.95Å; V1208-L1337 HydrophobicContact CG1-CD2 3.89Å; L1224-L1337 HydrophobicContact CD2-CB 4.01Å; L1224-L1337 WeakPolarHBondContact CD2-O 3.29Å; V1226-L1337 HydrophobicContact CG2-CD1 4.1Å; M1334-L1337 HydrophobicContact CE-CD1 3.71Å; M1334-L1337 VanDerWaalsContact O-CB 3.29Å; M1334-L1337 WeakPolarHBondContact O-CB 3.29Å; M1334-L1337 WeakPolarHBondContact O-CD1 3.24Å; M1334-L1337 VanDerWaalsContact O-CG 3.23Å; M1334-L1337 WeakPolarHBondContact O-CG 3.45Å; M1334-L1337 PolarHBondContact O-N 3.17Å; M1334-L1337 HydrophobicContact SD-CD1 4.11Å; S1335-L1337 PolarHBondContact O-N 3.19Å
1338H80.3Confident86.4Confident20 Ų2040.9 Ų40.99%0.09319%0.188CC..  trans-124.20-173.757.2112.6000115.4T9 N414 V1197 L1224 E1280T9-H1338 HydrophobicContact CG2-CB 3.32Å; N414-H1338 PolarHBondContact ND2-O 2.69Å; N414-H1338 PolarHBondContact ND2-OXT 3.12Å; V1197-H1338 WeakPolarHBondContact CG2-O 3.38Å; V1197-H1338 VanDerWaalsContact CG2-OXT 3.25Å; V1197-H1338 WeakPolarHBondContact CG2-OXT 3.1Å; L1224-H1338 HydrophobicContact CD2-CB 4.25Å; E1280-H1338 IonicContact OE1-CD2 3.91Å; E1280-H1338 IonicContact OE1-CE1 3.39Å; E1280-H1338 IonicContact OE1-NE2 2.74Å; E1280-H1338 PolarHBondContact OE1-NE2 3.06Å; E1280-H1338 IonicContact OE2-CE1 2.67Å; E1280-H1338 PolarHBondContact OE2-CE1 2.67Å; E1280-H1338 IonicContact OE2-NE2 3.71Å; E1280-H1338 PolarHBondContact OE2-NE2 2.66Å

Retrieved 1,338 of 1,338 residues in 1508.8 ms (Link to these results)

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