A0A077Z503_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z503, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 480 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
1M78.5Confident94.3Very high163 Ų16351.5 Ų51.580%0.80327%0.268SS*.  0136.40-161.9176.8-83.400106.8Y28 P29M1-Y28 HydrophobicContact CB-CD1 4.35Å; M1-P29 HydrophobicContact CG-CG 4.25Å; M1-P29 HydrophobicContact SD-CG 4.18Å
2E89.7Confident94.5Very high151 Ų15149.3 Ų49.371%0.70626%0.255SS*.  trans-78.4135.8178.8-167.8174.4-175.900110P29E2-P29 VanDerWaalsContact O-CD 3.23Å; E2-P29 WeakPolarHBondContact O-CD 3.38Å
3A94.6Very high94.6Very high15 Ų1548.8 Ų48.812%0.12426%0.263CS..  trans-76.4137.2-179.500000111Q6 V27 Y28A3-Q6 HydrophobicContact CB-CG 4.18Å; A3-V27 CarbonylContact C-O 3.51Å; A3-V27 WeakPolarHBondContact CA-O 3.39Å; A3-Y28 HydrophobicContact CB-CD1 4.04Å; A3-Y28 HydrophobicContact CB-CE1 3.98Å
4L96.6Very high94.5Very high24 Ų2450.7 Ų50.713%0.12627%0.268CS..SBendtrans-67.6-41170.2-67.3175.3000110.9V27 P29 W63 L64 V162L4-V27 PolarHBondContact N-O 2.88Å; L4-P29 HydrophobicContact CD1-CB 3.92Å; L4-P29 HydrophobicContact CD2-CB 4.2Å; L4-P29 HydrophobicContact CG-CB 3.98Å; L4-P29 HydrophobicContact CG-CG 4.4Å; L4-W63 HydrophobicContact CB-CZ3 4.37Å; L4-L64 HydrophobicContact CD2-CD2 3.72Å; L4-L64 PolarHBondContact O-N 2.84Å; L4-V162 HydrophobicContact CB-CG2 3.85Å; L4-V162 HydrophobicContact CD1-CG2 3.98Å
5L96.8Very high94.3Very high0 Ų056.5 Ų56.50%031%0.31CS..EExtended strand (participates in β ladder)trans-134.8134.2-178.9179.666.2000109.5L7 V27 L50 L61 L62 W63 I81 V162L5-L7 HydrophobicContact CD1-CD1 4.3Å; L5-L7 HydrophobicContact CD2-CD1 4.09Å; L5-L7 HydrophobicContact CG-CD1 3.9Å; L5-V27 HydrophobicContact CB-CB 4.08Å; L5-V27 HydrophobicContact CB-CG2 4.11Å; L5-V27 HydrophobicContact CD2-CG2 4.19Å; L5-V27 HydrophobicContact CG-CG2 4.5Å; L5-V27 PolarHBondContact N-O 3.27Å; L5-V27 PolarHBondContact O-N 2.91Å; L5-L50 HydrophobicContact CD2-CD1 3.56Å; L5-L50 HydrophobicContact CD2-CD2 4.01Å; L5-L50 HydrophobicContact CD2-CG 3.85Å; L5-L61 HydrophobicContact CD1-CD2 3.98Å; L5-L61 HydrophobicContact CD1-CG 4.18Å; L5-L62 WeakPolarHBondContact CA-O 3.5Å; L5-W63 HydrophobicContact CB-CE3 4.04Å; L5-W63 HydrophobicContact CB-CZ3 4.07Å; L5-W63 HydrophobicContact CD1-CE3 3.99Å; L5-I81 HydrophobicContact CD1-CD1 4.25Å; L5-I81 HydrophobicContact CD2-CD1 4.37Å; L5-V162 HydrophobicContact CB-CG2 4.33Å; L5-V162 HydrophobicContact CD2-CG1 4.33Å
6Q97.1Very high93.8Very high46 Ų4658.4 Ų58.422%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-135.6124.5179.5-126.8176.515.200110.9A3 N26 L61 L62A3-Q6 HydrophobicContact CB-CG 4.18Å; Q6-N26 VanDerWaalsContact CD-OD1 3.3Å; Q6-N26 WeakPolarHBondContact CG-OD1 3.44Å; Q6-N26 PolarHBondContact NE2-OD1 3.27Å; Q6-L61 CarbonylContact O-C 3.54Å; Q6-L61 WeakPolarHBondContact O-CA 3.49Å; Q6-L62 HydrophobicContact CB-CB 3.84Å; Q6-L62 HydrophobicContact CB-CD1 4.07Å; Q6-L62 HydrophobicContact CB-CG 4.45Å; Q6-L62 PolarHBondContact N-O 2.81Å; Q6-L62 PolarHBondContact O-N 3.23Å
7L97.1Very high93.4Very high0 Ų060.4 Ų60.40%036%0.358CS..EExtended strand (participates in β ladder)trans-113.7124.9169.2-66.896.9000107.7L5 I10 A24 L25 M46 L50 L61L5-L7 HydrophobicContact CD1-CD1 4.3Å; L5-L7 HydrophobicContact CD2-CD1 4.09Å; L5-L7 HydrophobicContact CG-CD1 3.9Å; L7-I10 HydrophobicContact CB-CD1 4.17Å; L7-I10 HydrophobicContact CB-CG1 3.77Å; L7-I10 HydrophobicContact CD2-CD1 4.36Å; L7-I10 HydrophobicContact CD2-CG1 4.14Å; L7-A24 CarbonylContact O-C 3.6Å; L7-A24 WeakPolarHBondContact O-CA 3.33Å; L7-A24 WeakPolarHBondContact O-CB 3.17Å; L7-L25 HydrophobicContact CB-CB 4.37Å; L7-L25 HydrophobicContact CD1-CB 4.16Å; L7-L25 HydrophobicContact CD1-CD2 4.33Å; L7-L25 PolarHBondContact N-O 2.93Å; L7-L25 PolarHBondContact O-N 3.17Å; L7-M46 HydrophobicContact CB-CE 4.34Å; L7-M46 HydrophobicContact CB-SD 4.48Å; L7-M46 HydrophobicContact CD2-SD 3.65Å; L7-L50 HydrophobicContact CD1-CD1 3.86Å; L7-L50 HydrophobicContact CD1-CG 4.19Å; L7-L50 HydrophobicContact CD2-CB 4.11Å; L7-L50 HydrophobicContact CD2-CG 4.4Å; L7-L61 HydrophobicContact CD2-CD1 4.1Å; L7-L61 HydrophobicContact CG-CD1 4.33Å; L7-L61 HydrophobicContact CG-CG 4.27Å
8K96.3Very high93.3Very high95 Ų9563.1 Ų63.141%0.41337%0.365SS..EExtended strand (participates in β ladder)trans-128.5125-176.2-65.6179.1179.7163.80111.1I10 G59 T60 L62K8-I10 VanDerWaalsContact C-N 3.29Å; K8-I10 PolarHBondContact O-N 3.39Å; K8-G59 CarbonylContact O-C 3.57Å; K8-G59 WeakPolarHBondContact O-CA 3.43Å; K8-T60 PolarHBondContact N-O 2.93Å; K8-T60 PolarHBondContact O-N 2.99Å; K8-L62 HydrophobicContact CD-CD1 4.38Å
9G96.1Very high93.3Very high35 Ų3560.5 Ų60.536%0.36135%0.352SS..EExtended strand (participates in β ladder)trans59.139.9172.800000112.9D11 A23 G59G9-D11 PolarHBondContact O-N 3.45Å; G9-A23 PolarHBondContact N-O 3.28Å; G9-A23 VanDerWaalsContact N-O 3.16Å; G9-G59 WeakPolarHBondContact O-CA 3.49Å; G9-G59 PolarHBondContact O-N 2.72Å
10I97.4Very high93.5Very high0 Ų057.5 Ų57.50%033%0.334CS..EExtended strand (participates in β ladder)trans-72.7122.3-176.7-56-59.5000109.7L7 K8 L20 G22 A23 M46 V49 R56 A58L7-I10 HydrophobicContact CB-CD1 4.17Å; L7-I10 HydrophobicContact CB-CG1 3.77Å; L7-I10 HydrophobicContact CD2-CD1 4.36Å; L7-I10 HydrophobicContact CD2-CG1 4.14Å; K8-I10 VanDerWaalsContact C-N 3.29Å; K8-I10 PolarHBondContact O-N 3.39Å; I10-L20 HydrophobicContact CG2-CD1 3.97Å; I10-G22 PolarHBondContact O-N 3.19Å; I10-A23 HydrophobicContact CB-CB 4.44Å; I10-A23 PolarHBondContact N-O 2.86Å; I10-A23 PolarHBondContact O-N 2.85Å; I10-M46 HydrophobicContact CB-CE 4.13Å; I10-M46 HydrophobicContact CB-SD 4.35Å; I10-M46 HydrophobicContact CG1-CE 4.08Å; I10-M46 HydrophobicContact CG1-SD 4.24Å; I10-M46 HydrophobicContact CG2-SD 4.29Å; I10-V49 HydrophobicContact CG2-CG1 3.99Å; I10-R56 HydrophobicContact CG2-CB 4.24Å; I10-A58 WeakPolarHBondContact CA-O 3.38Å
11D97.3Very high93.6Very high38 Ų3856.4 Ų56.420%0.20333%0.33CS..EExtended strand (participates in β ladder)trans-108.5139.5169-78.823.8000110G9 K18 L20 G22 D57 A58G9-D11 PolarHBondContact O-N 3.45Å; D11-K18 VanDerWaalsContact OD2-CE 3.24Å; D11-K18 WeakPolarHBondContact OD2-CE 3.35Å; D11-K18 IonicContact OD2-NZ 2.83Å; D11-K18 PolarHBondContact OD2-NZ 3.11Å; D11-L20 WeakPolarHBondContact CA-O 2.86Å; D11-G22 PolarHBondContact OD1-N 3.13Å; D11-D57 PolarHBondContact O-N 3.37Å; D11-A58 HydrophobicContact CB-CB 3.92Å; D11-A58 PolarHBondContact N-O 3.29Å
12K96.8Very high94.4Very high24 Ų2450.4 Ų50.410%0.10431%0.309CS..EExtended strand (participates in β ladder)trans-147.1122.1170.5-174.570.3-147.3157.80110.7F14 A19 L20 T45 V49 A55 D57K12-F14 HydrophobicContact CG-CE2 3.93Å; K12-F14 HydrophobicContact CG-CZ 4.07Å; K12-A19 PolarHBondContact O-N 2.88Å; K12-L20 HydrophobicContact CB-CB 3.99Å; K12-L20 HydrophobicContact CB-CD1 4.09Å; K12-L20 HydrophobicContact CB-CG 4.26Å; K12-L20 PolarHBondContact N-O 2.82Å; K12-L20 PolarHBondContact O-N 3.48Å; K12-T45 HydrophobicContact CB-CG2 4.21Å; K12-T45 HydrophobicContact CG-CG2 3.94Å; K12-V49 HydrophobicContact CB-CG2 4.39Å; K12-V49 HydrophobicContact CD-CG2 4.31Å; K12-V49 HydrophobicContact CG-CG2 4.32Å; K12-A55 WeakPolarHBondContact CD-O 3.36Å; K12-A55 WeakPolarHBondContact CE-O 3.42Å; K12-A55 PolarHBondContact NZ-O 3.29Å; K12-D57 WeakPolarHBondContact CA-OD2 3.29Å; K12-D57 IonicContact NZ-OD1 3.01Å; K12-D57 PolarHBondContact NZ-OD1 2.94Å; K12-D57 IonicContact NZ-OD2 3.98Å
13A95.7Very high94.7Very high44 Ų4443.2 Ų43.236%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-115.4147.3173.900000111.4V17 D57A13-V17 WeakPolarHBondContact CA-O 3.32Å; A13-D57 PolarHBondContact N-OD2 2.75Å
14F93.6Very high94.8Very high75 Ų7543.3 Ų43.333%0.32928%0.277SS..EExtended strand (participates in β ladder)trans-119.4163.8165.8-62.1-81.1000108K12 G16 V17 A19 T45 Y54K12-F14 HydrophobicContact CG-CE2 3.93Å; K12-F14 HydrophobicContact CG-CZ 4.07Å; F14-G16 PolarHBondContact O-N 2.97Å; F14-V17 PolarHBondContact N-O 3.24Å; F14-V17 PolarHBondContact O-N 3.24Å; F14-A19 HydrophobicContact CD2-CB 3.76Å; F14-A19 HydrophobicContact CE2-CB 3.76Å; F14-T45 HydrophobicContact CE2-CG2 3.97Å; F14-T45 HydrophobicContact CZ-CG2 4.4Å; F14-Y54 HydrophobicContact CE1-CD2 4.44Å; F14-Y54 HydrophobicContact CE1-CE2 4.27Å; F14-Y54 AromaticContact CZ-CD2 3.76Å; F14-Y54 HydrophobicContact CZ-CD2 3.76Å; F14-Y54 AromaticContact CZ-CE2 3.67Å; F14-Y54 HydrophobicContact CZ-CE2 3.67Å; F14-Y54 HydrophobicContact CZ-CG 4.31Å
15P91.5Very high94.9Very high138 Ų13842.1 Ų42.190%0.89627%0.271SS*.THydrogen-bonded Turntrans-51.2115.3176.2-27.936.4000111.7V17P15-V17 PolarHBondContact O-N 2.86Å
16G86.1Confident94.9Very high86 Ų8643.2 Ų43.289%0.88728%0.277SS*.THydrogen-bonded Turntrans84.2-9.217900000116.7F14F14-G16 PolarHBondContact O-N 2.97Å
17V87.7Confident94.9Very high92 Ų9241 Ų4156%0.55827%0.266SS*.EExtended strand (participates in β ladder)trans-139.4126.7-175.8174.10000111.3A13 F14 P15 A19A13-V17 WeakPolarHBondContact CA-O 3.32Å; F14-V17 PolarHBondContact N-O 3.24Å; F14-V17 PolarHBondContact O-N 3.24Å; P15-V17 PolarHBondContact O-N 2.86Å; V17-A19 PolarHBondContact O-N 3.43Å
18K90.9Very high94.9Very high109 Ų10943.1 Ų43.147%0.47427%0.274SS..EExtended strand (participates in β ladder)trans-88.295.9167.2-165.7176.3-172-167.60108.8D11 L20 S21D11-K18 VanDerWaalsContact OD2-CE 3.24Å; D11-K18 WeakPolarHBondContact OD2-CE 3.35Å; D11-K18 IonicContact OD2-NZ 2.83Å; D11-K18 PolarHBondContact OD2-NZ 3.11Å; K18-L20 WeakPolarHBondContact CE-O 3.31Å; K18-S21 WeakPolarHBondContact CE-OG 3.44Å; K18-S21 PolarHBondContact NZ-OG 2.85Å
19A93.2Very high95Very high15 Ų1540.6 Ų40.612%0.12427%0.267CS..EExtended strand (participates in β ladder)trans-75.4-29.1-173.800000113.9K12 F14 V17 T45 G217K12-A19 PolarHBondContact O-N 2.88Å; F14-A19 HydrophobicContact CD2-CB 3.76Å; F14-A19 HydrophobicContact CE2-CB 3.76Å; V17-A19 PolarHBondContact O-N 3.43Å; A19-T45 HydrophobicContact CB-CG2 3.97Å; A19-G217 WeakPolarHBondContact O-CA 3.14Å
20L97Very high95Very high0 Ų039.8 Ų39.80%026%0.26CS..EExtended strand (participates in β ladder)trans-134.9138.3171-63.5172.9000110.1I10 D11 K12 K18 A23 T45 M46 V49 F214 G217I10-L20 HydrophobicContact CG2-CD1 3.97Å; D11-L20 WeakPolarHBondContact CA-O 2.86Å; K12-L20 HydrophobicContact CB-CB 3.99Å; K12-L20 HydrophobicContact CB-CD1 4.09Å; K12-L20 HydrophobicContact CB-CG 4.26Å; K12-L20 PolarHBondContact N-O 2.82Å; K12-L20 PolarHBondContact O-N 3.48Å; K18-L20 WeakPolarHBondContact CE-O 3.31Å; L20-A23 HydrophobicContact CB-CB 4.21Å; L20-A23 HydrophobicContact CD2-CB 3.86Å; L20-A23 HydrophobicContact CG-CB 4.47Å; L20-T45 HydrophobicContact CD1-CG2 3.89Å; L20-T45 HydrophobicContact CG-CG2 3.99Å; L20-M46 HydrophobicContact CD1-CB 4.17Å; L20-M46 HydrophobicContact CD1-SD 4.17Å; L20-M46 HydrophobicContact CD2-CB 4.4Å; L20-V49 HydrophobicContact CD1-CG2 4.4Å; L20-F214 HydrophobicContact CD2-CD2 4.46Å; L20-F214 HydrophobicContact CD2-CE2 4.08Å; L20-G217 CarbonylContact C-O 3.59Å; L20-G217 WeakPolarHBondContact CA-O 3.39Å
21S95.8Very high95Very high35 Ų3542.6 Ų42.625%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-142.6103.8178.5-175.90000110.1K18 A23 G217K18-S21 WeakPolarHBondContact CE-OG 3.44Å; K18-S21 PolarHBondContact NZ-OG 2.85Å; S21-A23 PolarHBondContact O-N 3.3Å; S21-G217 PolarHBondContact N-O 3.2Å
22G95.7Very high95.1Very high36 Ų3640.8 Ų40.837%0.37126%0.261SS..EExtended strand (participates in β ladder)trans66.126.4-178.800000113.1I10 D11I10-G22 PolarHBondContact O-N 3.19Å; D11-G22 PolarHBondContact OD1-N 3.13Å
23A96.5Very high95.1Very high0 Ų039.8 Ų39.80%026%0.256CS..EExtended strand (participates in β ladder)trans-70.7149-175.100000111.4G9 I10 L20 S21 M46 F214G9-A23 PolarHBondContact N-O 3.28Å; G9-A23 VanDerWaalsContact N-O 3.16Å; I10-A23 HydrophobicContact CB-CB 4.44Å; I10-A23 PolarHBondContact N-O 2.86Å; I10-A23 PolarHBondContact O-N 2.85Å; L20-A23 HydrophobicContact CB-CB 4.21Å; L20-A23 HydrophobicContact CD2-CB 3.86Å; L20-A23 HydrophobicContact CG-CB 4.47Å; S21-A23 PolarHBondContact O-N 3.3Å; A23-M46 HydrophobicContact CB-CE 3.45Å; A23-M46 VanDerWaalsContact CB-CE 3.45Å; A23-F214 HydrophobicContact CB-CE2 3.95Å; A23-F214 HydrophobicContact CB-CZ 3.82Å
24A96.7Very high95.2Very high17 Ų1737.7 Ų37.714%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-142.6149.9-176.500000111L7 F214 F219L7-A24 CarbonylContact O-C 3.6Å; L7-A24 WeakPolarHBondContact O-CA 3.33Å; L7-A24 WeakPolarHBondContact O-CB 3.17Å; A24-F214 WeakPolarHBondContact O-CE1 3.27Å; A24-F214 WeakPolarHBondContact O-CZ 3.43Å; A24-F219 HydrophobicContact CB-CB 4.19Å; A24-F219 HydrophobicContact CB-CD2 3.86Å; A24-F219 HydrophobicContact CB-CE2 4.37Å; A24-F219 HydrophobicContact CB-CG 3.97Å
25L97.1Very high95.3Very high0 Ų034.1 Ų34.10%022%0.223CC..EExtended strand (participates in β ladder)trans-153.1131.2176178.265.6000109.1L7 V27 M33 M47 L50 V195 T212L7-L25 HydrophobicContact CB-CB 4.37Å; L7-L25 HydrophobicContact CD1-CB 4.16Å; L7-L25 HydrophobicContact CD1-CD2 4.33Å; L7-L25 PolarHBondContact N-O 2.93Å; L7-L25 PolarHBondContact O-N 3.17Å; L25-V27 HydrophobicContact CD2-CG2 4.46Å; L25-V27 HydrophobicContact CG-CG2 4.32Å; L25-M33 HydrophobicContact CD1-CG 3.89Å; L25-M47 HydrophobicContact CD2-CE 3.84Å; L25-L50 HydrophobicContact CD2-CD1 4.29Å; L25-V195 HydrophobicContact CD2-CG1 4.43Å; L25-V195 HydrophobicContact CD2-CG2 4.3Å; L25-T212 HydrophobicContact CD1-CG2 4.29Å
26N97.1Very high95.5Very high23 Ų2327.5 Ų27.512%0.12318%0.18CC..EExtended strand (participates in β ladder)trans-116.2134.6173.6-58.7-64.1000109.3Q6 Y28 M33 E222Q6-N26 VanDerWaalsContact CD-OD1 3.3Å; Q6-N26 WeakPolarHBondContact CG-OD1 3.44Å; Q6-N26 PolarHBondContact NE2-OD1 3.27Å; N26-Y28 HydrophobicContact CB-CE1 4.48Å; N26-Y28 HydrophobicContact CB-CE2 3.79Å; N26-M33 VanDerWaalsContact O-CE 3.3Å; N26-M33 WeakPolarHBondContact O-CE 3.47Å; N26-E222 PolarHBondContact ND2-OE2 3.32Å
27V97.5Very high95.6Very high0 Ų023.6 Ų23.60%014%0.14CC..EExtended strand (participates in β ladder)trans-123.1121.2175.1-168.30000108.8A3 L4 L5 L25 V162 V195A3-V27 CarbonylContact C-O 3.51Å; A3-V27 WeakPolarHBondContact CA-O 3.39Å; L4-V27 PolarHBondContact N-O 2.88Å; L5-V27 HydrophobicContact CB-CB 4.08Å; L5-V27 HydrophobicContact CB-CG2 4.11Å; L5-V27 HydrophobicContact CD2-CG2 4.19Å; L5-V27 HydrophobicContact CG-CG2 4.5Å; L5-V27 PolarHBondContact N-O 3.27Å; L5-V27 PolarHBondContact O-N 2.91Å; L25-V27 HydrophobicContact CD2-CG2 4.46Å; L25-V27 HydrophobicContact CG-CG2 4.32Å; V27-V162 HydrophobicContact CB-CG2 4.49Å; V27-V162 HydrophobicContact CG1-CG1 4.16Å; V27-V162 HydrophobicContact CG1-CG2 4.06Å; V27-V195 HydrophobicContact CB-CG2 4.45Å; V27-V195 HydrophobicContact CG1-CG2 4.16Å; V27-V195 HydrophobicContact CG2-CG2 3.41Å; V27-V195 VanDerWaalsContact CG2-CG2 3.41Å
28Y97.5Very high95.2Very high44 Ų4421.9 Ų21.917%0.17313%0.126CC..  trans-103.7150.7-176-56.7-79.9000111.3M1 A3 N26 R31 M33 G193 E222M1-Y28 HydrophobicContact CB-CD1 4.35Å; A3-Y28 HydrophobicContact CB-CD1 4.04Å; A3-Y28 HydrophobicContact CB-CE1 3.98Å; N26-Y28 HydrophobicContact CB-CE1 4.48Å; N26-Y28 HydrophobicContact CB-CE2 3.79Å; Y28-R31 PolarHBondContact O-N 3.43Å; Y28-M33 HydrophobicContact CD2-CE 4.44Å; Y28-M33 HydrophobicContact CE2-CE 4.14Å; Y28-G193 VanDerWaalsContact O-CA 3.27Å; Y28-G193 WeakPolarHBondContact O-CA 3.39Å; Y28-E222 WeakPolarHBondContact CE2-OE1 3.36Å; Y28-E222 PolarHBondContact OH-OE1 2.95Å
29P97.1Very high94.5Very high41 Ų4122 Ų2227%0.26613%0.131SC..THydrogen-bonded Turntrans-65.8135.6176.627.4-32.4000111M1 E2 L4 R31 G191M1-P29 HydrophobicContact CG-CG 4.25Å; M1-P29 HydrophobicContact SD-CG 4.18Å; E2-P29 VanDerWaalsContact O-CD 3.23Å; E2-P29 WeakPolarHBondContact O-CD 3.38Å; L4-P29 HydrophobicContact CD1-CB 3.92Å; L4-P29 HydrophobicContact CD2-CB 4.2Å; L4-P29 HydrophobicContact CG-CB 3.98Å; L4-P29 HydrophobicContact CG-CG 4.4Å; P29-R31 PolarHBondContact O-N 2.9Å; P29-G191 WeakPolarHBondContact CA-O 3.43Å; P29-G191 WeakPolarHBondContact CB-O 3.15Å
30G97.1Very high93.8Very high19 Ų1925 Ų2520%0.19616%0.164CC..THydrogen-bonded Turntrans6623.617800000114.3K188 G191 R192G30-K188 WeakPolarHBondContact CA-O 3.4Å; G30-K188 WeakPolarHBondContact O-CE 3.27Å; G30-K188 WeakPolarHBondContact O-CG 3.44Å; G30-G191 VanDerWaalsContact N-C 3.31Å; G30-G191 PolarHBondContact N-O 2.8Å; G30-G191 VanDerWaalsContact N-O 3.14Å; G30-R192 WeakPolarHBondContact CA-O 3.31Å; G30-R192 PolarHBondContact N-O 2.83Å
31R97.9Very high93.4Very high59 Ų5925.2 Ų25.222%0.22317%0.166CC..  trans-130.7149.9176.4-62.4-17369.498.1-13.3111Y28 P29 I194 D209 D210Y28-R31 PolarHBondContact O-N 3.43Å; P29-R31 PolarHBondContact O-N 2.9Å; R31-I194 PolarHBondContact O-N 3.37Å; R31-D209 WeakPolarHBondContact CA-OD2 3.45Å; R31-D209 HydrophobicContact CB-CB 4.33Å; R31-D210 IonicContact CZ-OD1 2.75Å; R31-D210 IonicContact CZ-OD2 3.77Å; R31-D210 VanDerWaalsContact CZ-OD2 3.32Å; R31-D210 IonicContact NE-OD1 3.73Å; R31-D210 IonicContact NE-OD2 3.57Å; R31-D210 PolarHBondContact NE-OD2 3.01Å; R31-D210 VanDerWaalsContact NH2-CG 3.27Å; R31-D210 IonicContact NH2-OD1 3.47Å; R31-D210 PolarHBondContact NH2-OD1 3.25Å; R31-D210 IonicContact NH2-OD2 2.73Å; R31-D210 PolarHBondContact NH2-OD2 3.27Å; R31-D210 VanDerWaalsContact NH2-OD2 3.13Å
32V98.2Very high93.2Very high0 Ų023.9 Ų23.90%016%0.157CC..EExtended strand (participates in β ladder)trans-105.4113.1174.8-175.30000108.1I184 K188 I194 I207 C208 D209 D210V32-I184 HydrophobicContact CG2-CG2 3.79Å; V32-K188 HydrophobicContact CG2-CD 4.2Å; V32-I194 HydrophobicContact CB-CB 4.46Å; V32-I194 HydrophobicContact CG1-CB 4.26Å; V32-I194 HydrophobicContact CG1-CG2 4.18Å; V32-I194 HydrophobicContact CG2-CB 4.17Å; V32-I194 HydrophobicContact CG2-CD1 4.19Å; V32-I207 WeakPolarHBondContact CB-O 3.39Å; V32-I207 HydrophobicContact CG1-CD1 4.32Å; V32-C208 HydrophobicContact CG1-CB 4.28Å; V32-D209 PolarHBondContact N-OD2 3.11Å; V32-D209 PolarHBondContact O-N 3.34Å; V32-D210 PolarHBondContact O-N 3.36Å
33M97.9Very high93Very high2 Ų222.8 Ų22.81%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-95.9114.3176.4176.361.874.300109.1L25 N26 Y28 I194 V195 Y196 D210 T212 E222L25-M33 HydrophobicContact CD1-CG 3.89Å; N26-M33 VanDerWaalsContact O-CE 3.3Å; N26-M33 WeakPolarHBondContact O-CE 3.47Å; Y28-M33 HydrophobicContact CD2-CE 4.44Å; Y28-M33 HydrophobicContact CE2-CE 4.14Å; M33-I194 PolarHBondContact N-O 2.7Å; M33-V195 CarbonylContact O-C 3.58Å; M33-V195 VanDerWaalsContact O-CA 3.32Å; M33-V195 WeakPolarHBondContact O-CA 3.46Å; M33-Y196 PolarHBondContact O-N 3.47Å; M33-D210 CarbonylContact C-O 3.5Å; M33-D210 HydrophobicContact CE-CB 3.4Å; M33-D210 HydrophobicContact SD-CB 3.63Å; M33-T212 PolarHBondContact SD-N 3.36Å; M33-T212 PolarHBondContact SD-OG1 2.83Å; M33-E222 HydrophobicContact CE-CG 3.85Å
34A97.6Very high92.7Very high0 Ų025.3 Ų25.30%016%0.16CC..EExtended strand (participates in β ladder)trans-70.3133.916700000109.8V36 Y196 I204 C208 D210 V211 T212A34-V36 HydrophobicContact CB-CG1 4.07Å; A34-Y196 CarbonylContact C-O 3.48Å; A34-Y196 VanDerWaalsContact CA-O 3.23Å; A34-Y196 WeakPolarHBondContact CA-O 3.33Å; A34-I204 HydrophobicContact CB-CG1 4.3Å; A34-I204 HydrophobicContact CB-CG2 3.95Å; A34-C208 HydrophobicContact CB-CB 3.94Å; A34-D210 PolarHBondContact N-O 2.88Å; A34-V211 HydrophobicContact CB-CB 4.05Å; A34-V211 HydrophobicContact CB-CG2 3.87Å; A34-V211 CarbonylContact O-C 3.56Å; A34-V211 WeakPolarHBondContact O-CA 3.08Å; A34-T212 PolarHBondContact O-N 3.41Å
35L96.5Very high92.6Very high0 Ų025.8 Ų25.80%016%0.161CC..EExtended strand (participates in β ladder)trans-111.3107.5165.7174.763.8000108.3K43 M47 V195 Y196 I197 T212 F214L35-K43 HydrophobicContact CD2-CB 4.26Å; L35-K43 HydrophobicContact CG-CG 4.35Å; L35-M47 HydrophobicContact CD2-CE 3.68Å; L35-V195 HydrophobicContact CB-CG1 4.11Å; L35-Y196 PolarHBondContact N-O 3.27Å; L35-I197 HydrophobicContact CB-CG1 4.06Å; L35-I197 HydrophobicContact CD2-CD1 4.48Å; L35-I197 HydrophobicContact CD2-CG1 4.27Å; L35-T212 HydrophobicContact CD1-CG2 3.92Å; L35-F214 HydrophobicContact CD1-CD1 3.88Å; L35-F214 HydrophobicContact CD1-CD2 4.26Å; L35-F214 HydrophobicContact CD1-CE1 3.85Å; L35-F214 HydrophobicContact CD1-CE2 4.23Å; L35-F214 HydrophobicContact CD1-CG 4.07Å; L35-F214 HydrophobicContact CD1-CZ 4Å
36V94.4Very high92.5Very high0 Ų025.8 Ų25.80%016%0.161CC..EExtended strand (participates in β ladder)trans-118.3157.6-173.2-53.60000111.2A34 I204 V211 T212 V213 F214 L233 M237A34-V36 HydrophobicContact CB-CG1 4.07Å; V36-I204 HydrophobicContact CG1-CD1 3.5Å; V36-I204 VanDerWaalsContact CG1-CD1 3.5Å; V36-I204 HydrophobicContact CG1-CG1 4.29Å; V36-V211 HydrophobicContact CB-CG2 4.26Å; V36-V211 HydrophobicContact CG1-CG2 3.81Å; V36-V211 HydrophobicContact CG2-CG2 3.44Å; V36-V211 VanDerWaalsContact CG2-CG2 3.44Å; V36-T212 PolarHBondContact N-O 3.01Å; V36-V213 HydrophobicContact CG2-CB 4.22Å; V36-V213 HydrophobicContact CG2-CG1 4.27Å; V36-V213 HydrophobicContact CG2-CG2 3.78Å; V36-F214 PolarHBondContact O-N 3.12Å; V36-L233 HydrophobicContact CG2-CD1 3.96Å; V36-M237 HydrophobicContact CB-CE 4.24Å; V36-M237 HydrophobicContact CB-CG 4.37Å; V36-M237 HydrophobicContact CB-SD 3.85Å; V36-M237 HydrophobicContact CG2-CG 3.81Å; V36-M237 HydrophobicContact CG2-SD 3.76Å
37G88.9Confident92.3Very high3 Ų324.9 Ų24.93%0.03116%0.156CC..  trans163163.3178.300000109.5K43 F214G37-K43 PolarHBondContact O-NZ 2.95Å; G37-F214 WeakPolarHBondContact CA-O 3.05Å
38E78.7Confident92.1Very high57 Ų5728.8 Ų28.827%0.26617%0.173SC..  trans-59.9167.7175.6-66.8-159.7176.400113G40 A41 K43 V238 R260E38-G40 PolarHBondContact O-N 2.68Å; E38-A41 WeakPolarHBondContact O-CB 3.32Å; E38-A41 PolarHBondContact O-N 3.16Å; E38-K43 PolarHBondContact O-NZ 2.91Å; E38-V238 HydrophobicContact CG-CB 4.5Å; E38-V238 HydrophobicContact CG-CG1 3.69Å; E38-V238 WeakPolarHBondContact OE1-CB 3.36Å; E38-V238 WeakPolarHBondContact OE1-CG1 3.45Å; E38-R260 WeakPolarHBondContact OE1-CD 3.37Å; E38-R260 IonicContact OE1-CZ 3.21Å; E38-R260 IonicContact OE1-NE 2.59Å; E38-R260 PolarHBondContact OE1-NE 3.34Å; E38-R260 VanDerWaalsContact OE1-NE 3.12Å; E38-R260 IonicContact OE1-NH1 2.75Å; E38-R260 PolarHBondContact OE1-NH1 2.97Å; E38-R260 IonicContact OE1-NH2 2.85Å; E38-R260 IonicContact OE2-CZ 3.41Å; E38-R260 IonicContact OE2-NH1 2.8Å; E38-R260 PolarHBondContact OE2-NH1 3.4Å
39N76.4Confident92Very high111 Ų11127 Ų2759%0.59417%0.167SC*.THydrogen-bonded Turntrans-58.3128.4166-71-9.3000108.8
40G79.3Confident91.8Very high79 Ų7925.1 Ų25.181%0.81416%0.155SC*.THydrogen-bonded Turntrans84.6-1.5-173.700000115.8E38 G42E38-G40 PolarHBondContact O-N 2.68Å; G40-G42 PolarHBondContact O-N 3.34Å
41A87.3Confident91.5Very high3 Ų324.2 Ų24.23%0.02515%0.146CC..SBendtrans-66.7-1.1178.200000115E38 F214 G217E38-A41 WeakPolarHBondContact O-CB 3.32Å; E38-A41 PolarHBondContact O-N 3.16Å; A41-F214 HydrophobicContact CB-CB 4.13Å; A41-G217 VanDerWaalsContact O-CA 3.23Å; A41-G217 WeakPolarHBondContact O-CA 2.98Å; A41-G217 PolarHBondContact O-N 3.01Å; A41-G217 VanDerWaalsContact O-N 3.13Å
42G91.5Very high91.3Very high7 Ų722.1 Ų22.17%0.07214%0.142CC..SBendtrans96.85.6176.200000115.8G40 S44 T45 M46G40-G42 PolarHBondContact O-N 3.34Å; G42-S44 PolarHBondContact O-N 3.32Å; G42-T45 PolarHBondContact O-N 3.32Å; G42-M46 PolarHBondContact O-N 3.32Å
43K92.6Very high91Very high14 Ų1425.6 Ų25.66%0.06116%0.16CC..Hα-helixtrans-54-57-177.9-52.9-175.1-59.8-86.80112.8L35 G37 E38 T45 M46 M47 I197L35-K43 HydrophobicContact CD2-CB 4.26Å; L35-K43 HydrophobicContact CG-CG 4.35Å; G37-K43 PolarHBondContact O-NZ 2.95Å; E38-K43 PolarHBondContact O-NZ 2.91Å; K43-T45 VanDerWaalsContact C-N 3.31Å; K43-T45 PolarHBondContact O-N 2.94Å; K43-M46 WeakPolarHBondContact O-CB 3.41Å; K43-M46 PolarHBondContact O-N 3.43Å; K43-M46 VanDerWaalsContact O-N 3.1Å; K43-M47 PolarHBondContact O-N 2.82Å; K43-I197 HydrophobicContact CB-CG2 4.42Å; K43-I197 HydrophobicContact CD-CG2 3.98Å
44S90.5Very high90.8Very high53 Ų5329 Ų2937%0.37117%0.173SC..Hα-helixtrans-66-32.9179.8-41.20000112.3G42 M46 M47 K48G42-S44 PolarHBondContact O-N 3.32Å; S44-M46 VanDerWaalsContact C-N 3.34Å; S44-M47 PolarHBondContact O-N 3.22Å; S44-K48 WeakPolarHBondContact O-CG 3.36Å; S44-K48 PolarHBondContact O-N 3.46Å
45T93.6Very high90.6Very high27 Ų2732.7 Ų32.717%0.16620%0.203CC..Hα-helixtrans-63.8-41.8172.8-60.10000110.8K12 F14 A19 L20 G42 K43 M47 K48 V49K12-T45 HydrophobicContact CB-CG2 4.21Å; K12-T45 HydrophobicContact CG-CG2 3.94Å; F14-T45 HydrophobicContact CE2-CG2 3.97Å; F14-T45 HydrophobicContact CZ-CG2 4.4Å; A19-T45 HydrophobicContact CB-CG2 3.97Å; L20-T45 HydrophobicContact CD1-CG2 3.89Å; L20-T45 HydrophobicContact CG-CG2 3.99Å; G42-T45 PolarHBondContact O-N 3.32Å; K43-T45 VanDerWaalsContact C-N 3.31Å; K43-T45 PolarHBondContact O-N 2.94Å; T45-M47 VanDerWaalsContact C-N 3.32Å; T45-M47 PolarHBondContact O-N 3.47Å; T45-K48 PolarHBondContact O-N 3.47Å; T45-V49 WeakPolarHBondContact O-CG2 3.49Å; T45-V49 PolarHBondContact O-N 2.75Å
46M95Very high90.5Very high0 Ų034.9 Ų34.90%021%0.212CC..Hα-helixtrans-60.2-42.7174.8-176.460.1108.800111.1L7 I10 L20 A23 G42 K43 S44 V49 L50 F214L7-M46 HydrophobicContact CB-CE 4.34Å; L7-M46 HydrophobicContact CB-SD 4.48Å; L7-M46 HydrophobicContact CD2-SD 3.65Å; I10-M46 HydrophobicContact CB-CE 4.13Å; I10-M46 HydrophobicContact CB-SD 4.35Å; I10-M46 HydrophobicContact CG1-CE 4.08Å; I10-M46 HydrophobicContact CG1-SD 4.24Å; I10-M46 HydrophobicContact CG2-SD 4.29Å; L20-M46 HydrophobicContact CD1-CB 4.17Å; L20-M46 HydrophobicContact CD1-SD 4.17Å; L20-M46 HydrophobicContact CD2-CB 4.4Å; A23-M46 HydrophobicContact CB-CE 3.45Å; A23-M46 VanDerWaalsContact CB-CE 3.45Å; G42-M46 PolarHBondContact O-N 3.32Å; K43-M46 WeakPolarHBondContact O-CB 3.41Å; K43-M46 PolarHBondContact O-N 3.43Å; K43-M46 VanDerWaalsContact O-N 3.1Å; S44-M46 VanDerWaalsContact C-N 3.34Å; M46-V49 PolarHBondContact O-N 2.86Å; M46-L50 VanDerWaalsContact O-CB 3.29Å; M46-L50 WeakPolarHBondContact O-CB 3.45Å; M46-L50 PolarHBondContact O-N 3.2Å; M46-F214 HydrophobicContact CB-CE2 4.02Å; M46-F214 HydrophobicContact CE-CE2 3.97Å; M46-F214 HydrophobicContact CE-CZ 3.52Å; M46-F214 HydrophobicContact CG-CE2 4.16Å; M46-F214 HydrophobicContact CG-CZ 4.3Å
47M93.7Very high90.6Very high4 Ų439.2 Ų39.22%0.0224%0.235CC..Hα-helixtrans-66.1-38.8177.4-62.7-52.994.200112.9L25 L35 K43 S44 T45 V49 L50 T51 I83 I164 I197L25-M47 HydrophobicContact CD2-CE 3.84Å; L35-M47 HydrophobicContact CD2-CE 3.68Å; K43-M47 PolarHBondContact O-N 2.82Å; S44-M47 PolarHBondContact O-N 3.22Å; T45-M47 VanDerWaalsContact C-N 3.32Å; T45-M47 PolarHBondContact O-N 3.47Å; M47-V49 VanDerWaalsContact C-N 3.34Å; M47-L50 HydrophobicContact CE-CD1 3.96Å; M47-L50 PolarHBondContact O-N 3.28Å; M47-L50 HydrophobicContact SD-CD1 4.27Å; M47-T51 WeakPolarHBondContact O-CG2 3.2Å; M47-T51 PolarHBondContact O-N 3.43Å; M47-T51 PolarHBondContact O-OG1 3.27Å; M47-I83 HydrophobicContact CB-CD1 4.18Å; M47-I164 HydrophobicContact CG-CG2 4.17Å; M47-I164 HydrophobicContact SD-CB 4.49Å; M47-I164 HydrophobicContact SD-CD1 3.95Å; M47-I164 HydrophobicContact SD-CG1 4.35Å; M47-I164 HydrophobicContact SD-CG2 3.39Å; M47-I164 WeakPolarHBondContact SD-CG2 3.24Å; M47-I197 HydrophobicContact CG-CD1 3.5Å; M47-I197 VanDerWaalsContact CG-CD1 3.5Å; M47-I197 HydrophobicContact SD-CD1 3.85Å
48K93Very high91Very high81 Ų8141.2 Ų41.235%0.35225%0.251SS..Hα-helixtrans-67.7-33.4175.2-71.6176-178.6177.20112.4S44 T45 T51 G52 I53 Y54S44-K48 WeakPolarHBondContact O-CG 3.36Å; S44-K48 PolarHBondContact O-N 3.46Å; T45-K48 PolarHBondContact O-N 3.47Å; K48-T51 PolarHBondContact O-OG1 2.81Å; K48-G52 PolarHBondContact O-N 3.2Å; K48-I53 HydrophobicContact CB-CB 4.09Å; K48-I53 HydrophobicContact CB-CG2 4.36Å; K48-I53 HydrophobicContact CG-CB 4.43Å; K48-I53 HydrophobicContact CG-CD1 4.16Å; K48-I53 HydrophobicContact CG-CG2 4.43Å; K48-I53 WeakPolarHBondContact O-CB 3.17Å; K48-I53 PolarHBondContact O-N 3.31Å; K48-Y54 HydrophobicContact CB-CD2 3.42Å; K48-Y54 VanDerWaalsContact CB-CD2 3.42Å; K48-Y54 HydrophobicContact CB-CE2 3.68Å; K48-Y54 HydrophobicContact CB-CG 4.11Å; K48-Y54 HydrophobicContact CD-CD2 3.98Å; K48-Y54 HydrophobicContact CD-CE2 3.26Å; K48-Y54 HydrophobicContact CG-CD2 4.32Å; K48-Y54 HydrophobicContact CG-CE2 4.08Å; K48-Y54 PolarHBondContact O-N 2.98Å
49V94.8Very high91.8Very high8 Ų839.9 Ų39.95%0.04825%0.253CS..Hα-helixtrans-68.6-45.5171.6169.50000111.1I10 K12 L20 T45 M46 M47 T51 G52 Y54 R56I10-V49 HydrophobicContact CG2-CG1 3.99Å; K12-V49 HydrophobicContact CB-CG2 4.39Å; K12-V49 HydrophobicContact CD-CG2 4.31Å; K12-V49 HydrophobicContact CG-CG2 4.32Å; L20-V49 HydrophobicContact CD1-CG2 4.4Å; T45-V49 WeakPolarHBondContact O-CG2 3.49Å; T45-V49 PolarHBondContact O-N 2.75Å; M46-V49 PolarHBondContact O-N 2.86Å; M47-V49 VanDerWaalsContact C-N 3.34Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.63Å; V49-G52 PolarHBondContact O-N 3.49Å; V49-G52 VanDerWaalsContact O-N 3.14Å; V49-Y54 WeakPolarHBondContact CA-O 3.23Å; V49-R56 HydrophobicContact CG1-CB 3.79Å
50L93.6Very high92.8Very high0 Ų036.8 Ų36.80%024%0.238CC..Hα-helixtrans-59.9-42.1179.6-174.5166.7000111.9L5 L7 L25 M46 M47 G52 F70 I81 I164L5-L50 HydrophobicContact CD2-CD1 3.56Å; L5-L50 HydrophobicContact CD2-CD2 4.01Å; L5-L50 HydrophobicContact CD2-CG 3.85Å; L7-L50 HydrophobicContact CD1-CD1 3.86Å; L7-L50 HydrophobicContact CD1-CG 4.19Å; L7-L50 HydrophobicContact CD2-CB 4.11Å; L7-L50 HydrophobicContact CD2-CG 4.4Å; L25-L50 HydrophobicContact CD2-CD1 4.29Å; M46-L50 VanDerWaalsContact O-CB 3.29Å; M46-L50 WeakPolarHBondContact O-CB 3.45Å; M46-L50 PolarHBondContact O-N 3.2Å; M47-L50 HydrophobicContact CE-CD1 3.96Å; M47-L50 PolarHBondContact O-N 3.28Å; M47-L50 HydrophobicContact SD-CD1 4.27Å; L50-G52 VanDerWaalsContact C-N 3.28Å; L50-G52 PolarHBondContact O-N 2.98Å; L50-F70 WeakPolarHBondContact O-CD2 3.48Å; L50-I81 HydrophobicContact CD2-CD1 4.21Å; L50-I81 HydrophobicContact CD2-CG2 3.86Å; L50-I164 HydrophobicContact CD1-CD1 3.66Å; L50-I164 HydrophobicContact CD2-CD1 3.45Å; L50-I164 VanDerWaalsContact CD2-CD1 3.45Å; L50-I164 HydrophobicContact CG-CD1 4.19Å
51T90.9Very high93.6Very high1 Ų133 Ų331%0.00620%0.199CC..THydrogen-bonded Turntrans-82.1-1.9179.352.90000113.8M47 K48 V49 I53 G72 I83M47-T51 WeakPolarHBondContact O-CG2 3.2Å; M47-T51 PolarHBondContact O-N 3.43Å; M47-T51 PolarHBondContact O-OG1 3.27Å; K48-T51 PolarHBondContact O-OG1 2.81Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.63Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.16Å; T51-G72 CarbonylContact O-C 3.56Å; T51-G72 WeakPolarHBondContact O-CA 3.22Å; T51-G72 VanDerWaalsContact O-O 3.14Å; T51-I83 HydrophobicContact CG2-CB 4.41Å; T51-I83 HydrophobicContact CG2-CD1 3.79Å; T51-I83 HydrophobicContact CG2-CG2 4.24Å
52G92.2Very high94.1Very high14 Ų1434.5 Ų34.514%0.14421%0.206CC..THydrogen-bonded Turntrans76.312.9179.800000115K48 V49 L50 Y54 F70 G72K48-G52 PolarHBondContact O-N 3.2Å; V49-G52 PolarHBondContact O-N 3.49Å; V49-G52 VanDerWaalsContact O-N 3.14Å; L50-G52 VanDerWaalsContact C-N 3.28Å; L50-G52 PolarHBondContact O-N 2.98Å; G52-Y54 VanDerWaalsContact C-N 3.33Å; G52-F70 VanDerWaalsContact CA-O 3.31Å; G52-F70 WeakPolarHBondContact CA-O 3.44Å; G52-G72 PolarHBondContact O-N 3.2Å
53I92.8Very high94.3Very high73 Ų7335.2 Ų35.237%0.37421%0.207SC..SBendtrans-66.2-40.5169.6-64.3171.3000109.8K48 T51 P73K48-I53 HydrophobicContact CB-CB 4.09Å; K48-I53 HydrophobicContact CB-CG2 4.36Å; K48-I53 HydrophobicContact CG-CB 4.43Å; K48-I53 HydrophobicContact CG-CD1 4.16Å; K48-I53 HydrophobicContact CG-CG2 4.43Å; K48-I53 WeakPolarHBondContact O-CB 3.17Å; K48-I53 PolarHBondContact O-N 3.31Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.16Å; I53-P73 HydrophobicContact CD1-CG 3.86Å; I53-P73 HydrophobicContact CG1-CG 3.58Å
54Y94.1Very high94.5Very high75 Ų7538.2 Ų38.229%0.29422%0.223SC..SBendtrans-115.3135.4173.5-60.9-33.7000110.8F14 K48 V49 G52F14-Y54 HydrophobicContact CE1-CD2 4.44Å; F14-Y54 HydrophobicContact CE1-CE2 4.27Å; F14-Y54 AromaticContact CZ-CD2 3.76Å; F14-Y54 HydrophobicContact CZ-CD2 3.76Å; F14-Y54 AromaticContact CZ-CE2 3.67Å; F14-Y54 HydrophobicContact CZ-CE2 3.67Å; F14-Y54 HydrophobicContact CZ-CG 4.31Å; K48-Y54 HydrophobicContact CB-CD2 3.42Å; K48-Y54 VanDerWaalsContact CB-CD2 3.42Å; K48-Y54 HydrophobicContact CB-CE2 3.68Å; K48-Y54 HydrophobicContact CB-CG 4.11Å; K48-Y54 HydrophobicContact CD-CD2 3.98Å; K48-Y54 HydrophobicContact CD-CE2 3.26Å; K48-Y54 HydrophobicContact CG-CD2 4.32Å; K48-Y54 HydrophobicContact CG-CE2 4.08Å; K48-Y54 PolarHBondContact O-N 2.98Å; V49-Y54 WeakPolarHBondContact CA-O 3.23Å; G52-Y54 VanDerWaalsContact C-N 3.33Å
55A93.1Very high94.7Very high76 Ų7637.9 Ų37.963%0.62823%0.228SC*.  trans-72133.8167.200000109.9K12K12-A55 WeakPolarHBondContact CD-O 3.36Å; K12-A55 WeakPolarHBondContact CE-O 3.42Å; K12-A55 PolarHBondContact NZ-O 3.29Å
56R95Very high94.7Very high47 Ų4744.3 Ų44.318%0.17725%0.253CS..  trans-68.3143.6168.662.6-172.8-175.5-102.93.8110.4I10 V49 G59 L61 E67 T68I10-R56 HydrophobicContact CG2-CB 4.24Å; V49-R56 HydrophobicContact CG1-CB 3.79Å; R56-G59 WeakPolarHBondContact CD-O 3.35Å; R56-G59 PolarHBondContact NE-O 3.41Å; R56-L61 VanDerWaalsContact NH1-CB 3.29Å; R56-E67 IonicContact NH2-OE1 3.98Å; R56-T68 PolarHBondContact NH1-O 3.44Å; R56-T68 PolarHBondContact NH2-O 2.81Å
57D96.3Very high94.8Very high90 Ų9050.3 Ų50.348%0.48128%0.282SS..SBendtrans-88-28.9177.8-55.3-27.4000111.3D11 K12 A13D11-D57 PolarHBondContact O-N 3.37Å; K12-D57 WeakPolarHBondContact CA-OD2 3.29Å; K12-D57 IonicContact NZ-OD1 3.01Å; K12-D57 PolarHBondContact NZ-OD1 2.94Å; K12-D57 IonicContact NZ-OD2 3.98Å; A13-D57 PolarHBondContact N-OD2 2.75Å
58A96.9Very high94.8Very high45 Ų4551.9 Ų51.937%0.37229%0.291SS..EExtended strand (participates in β ladder)trans-149.8173169.800000111.4I10 D11I10-A58 WeakPolarHBondContact CA-O 3.38Å; D11-A58 HydrophobicContact CB-CB 3.92Å; D11-A58 PolarHBondContact N-O 3.29Å
59G96.3Very high94.8Very high30 Ų3052.7 Ų52.731%0.30930%0.304SS..EExtended strand (participates in β ladder)trans89.8176.6178.700000114.2K8 G9 R56K8-G59 CarbonylContact O-C 3.57Å; K8-G59 WeakPolarHBondContact O-CA 3.43Å; G9-G59 WeakPolarHBondContact O-CA 3.49Å; G9-G59 PolarHBondContact O-N 2.72Å; R56-G59 WeakPolarHBondContact CD-O 3.35Å; R56-G59 PolarHBondContact NE-O 3.41Å
60T97.1Very high94.8Very high45 Ų4553.2 Ų53.228%0.27631%0.305SS..EExtended strand (participates in β ladder)trans-124.1138.3-173590000111.2K8K8-T60 PolarHBondContact N-O 2.93Å; K8-T60 PolarHBondContact O-N 2.99Å
61L96.5Very high94.7Very high1 Ų159.4 Ų59.41%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-109.7122.5168.6-175.2158000108.5L5 Q6 L7 R56 W63 E67 T68 F70L5-L61 HydrophobicContact CD1-CD2 3.98Å; L5-L61 HydrophobicContact CD1-CG 4.18Å; Q6-L61 CarbonylContact O-C 3.54Å; Q6-L61 WeakPolarHBondContact O-CA 3.49Å; L7-L61 HydrophobicContact CD2-CD1 4.1Å; L7-L61 HydrophobicContact CG-CD1 4.33Å; L7-L61 HydrophobicContact CG-CG 4.27Å; R56-L61 VanDerWaalsContact NH1-CB 3.29Å; L61-W63 HydrophobicContact CD2-CB 4.41Å; L61-E67 CarbonylContact O-C 3.58Å; L61-E67 VanDerWaalsContact O-CA 3.31Å; L61-E67 WeakPolarHBondContact O-CA 3.43Å; L61-T68 PolarHBondContact O-N 3.41Å; L61-F70 HydrophobicContact CD1-CD2 4.2Å; L61-F70 HydrophobicContact CD1-CE2 4.26Å; L61-F70 HydrophobicContact CD2-CD2 4.34Å; L61-F70 HydrophobicContact CD2-CE2 3.79Å
62L96.8Very high94.8Very high34 Ų3460 Ų6018%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-110.1121.4177.6-61.5162.1000108.5L5 Q6 K8 K66 E67L5-L62 WeakPolarHBondContact CA-O 3.5Å; Q6-L62 HydrophobicContact CB-CB 3.84Å; Q6-L62 HydrophobicContact CB-CD1 4.07Å; Q6-L62 HydrophobicContact CB-CG 4.45Å; Q6-L62 PolarHBondContact N-O 2.81Å; Q6-L62 PolarHBondContact O-N 3.23Å; K8-L62 HydrophobicContact CD-CD1 4.38Å; L62-K66 CarbonylContact C-O 3.57Å; L62-K66 WeakPolarHBondContact CA-O 3.46Å; L62-E67 HydrophobicContact CD2-CB 4.07Å
63W96.2Very high94.6Very high21 Ų2161.9 Ų61.98%0.0836%0.359CS..EExtended strand (participates in β ladder)trans-112.1120172.2177.1-123.8000109L4 L5 L61 G65 K66 F70 A79 I81 K161 V162L4-W63 HydrophobicContact CB-CZ3 4.37Å; L5-W63 HydrophobicContact CB-CE3 4.04Å; L5-W63 HydrophobicContact CB-CZ3 4.07Å; L5-W63 HydrophobicContact CD1-CE3 3.99Å; L61-W63 HydrophobicContact CD2-CB 4.41Å; W63-G65 PolarHBondContact O-N 2.87Å; W63-K66 PolarHBondContact N-O 2.88Å; W63-K66 PolarHBondContact O-N 2.71Å; W63-F70 HydrophobicContact CB-CZ 4.37Å; W63-F70 HydrophobicContact CG-CZ 4.3Å; W63-A79 VanDerWaalsContact CZ2-O 3.23Å; W63-A79 WeakPolarHBondContact CZ2-O 3.4Å; W63-A79 PolarHBondContact NE1-O 2.77Å; W63-I81 HydrophobicContact CD2-CD1 4.36Å; W63-I81 HydrophobicContact CE3-CD1 4.01Å; W63-I81 HydrophobicContact CE3-CG1 4.26Å; W63-I81 HydrophobicContact CH2-CD1 4.44Å; W63-I81 HydrophobicContact CH2-CG1 3.79Å; W63-I81 HydrophobicContact CZ2-CG1 4.17Å; W63-I81 HydrophobicContact CZ3-CD1 4.06Å; W63-I81 HydrophobicContact CZ3-CG1 3.86Å; W63-K161 HydrophobicContact CH2-CB 3.87Å; W63-K161 HydrophobicContact CZ2-CB 4.26Å; W63-K161 HydrophobicContact CZ2-CD 4.46Å; W63-V162 HydrophobicContact CH2-CB 4.22Å; W63-V162 HydrophobicContact CH2-CG2 3.94Å; W63-V162 HydrophobicContact CZ3-CB 4.14Å; W63-V162 HydrophobicContact CZ3-CG2 3.62Å
64L95.3Very high94.4Very high78 Ų7865.3 Ų65.341%0.40837%0.371SS..THydrogen-bonded Turntrans49.445.7-175.7-56.5174.3000112L4 K66 K161L4-L64 HydrophobicContact CD2-CD2 3.72Å; L4-L64 PolarHBondContact O-N 2.84Å; L64-K66 PolarHBondContact O-N 2.98Å; L64-K161 HydrophobicContact CD1-CD 4.36Å; L64-K161 HydrophobicContact CD2-CD 4.25Å
65G94.8Very high94.3Very high45 Ų4563.1 Ų63.146%0.46437%0.367SS..THydrogen-bonded Turntrans76.2-4.6-179.700000115.9W63W63-G65 PolarHBondContact O-N 2.87Å
66K95.4Very high94.3Very high162 Ų16259.5 Ų59.570%0.70434%0.337SS*.EExtended strand (participates in β ladder)trans-106.8133178.8-78.5-175.7175.5179.50112.5L62 W63 L64 T68L62-K66 CarbonylContact C-O 3.57Å; L62-K66 WeakPolarHBondContact CA-O 3.46Å; W63-K66 PolarHBondContact N-O 2.88Å; W63-K66 PolarHBondContact O-N 2.71Å; L64-K66 PolarHBondContact O-N 2.98Å; K66-T68 PolarHBondContact O-N 3.34Å; K66-T68 PolarHBondContact O-OG1 3.14Å; K66-T68 VanDerWaalsContact O-OG1 3.11Å
67E96.3Very high94.1Very high126 Ų12659.7 Ų59.759%0.58934%0.34SS*.EExtended strand (participates in β ladder)trans-61128.1173.9-170.7171.3-179.900110.5R56 L61 L62R56-E67 IonicContact NH2-OE1 3.98Å; L61-E67 CarbonylContact O-C 3.58Å; L61-E67 VanDerWaalsContact O-CA 3.31Å; L61-E67 WeakPolarHBondContact O-CA 3.43Å; L62-E67 HydrophobicContact CD2-CB 4.07Å
68T94.6Very high93.8Very high37 Ų3762.2 Ų62.223%0.22735%0.349CS..  trans-139.9152.7-172.4-59.30000110.5R56 L61 K66 F70R56-T68 PolarHBondContact NH1-O 3.44Å; R56-T68 PolarHBondContact NH2-O 2.81Å; L61-T68 PolarHBondContact O-N 3.41Å; K66-T68 PolarHBondContact O-N 3.34Å; K66-T68 PolarHBondContact O-OG1 3.14Å; K66-T68 VanDerWaalsContact O-OG1 3.11Å; T68-F70 HydrophobicContact CG2-CD1 4.2Å; T68-F70 HydrophobicContact CG2-CE1 3.76Å; T68-F70 HydrophobicContact CG2-CE2 4.37Å; T68-F70 HydrophobicContact CG2-CZ 3.88Å
69T92.9Very high93.6Very high99 Ų9961.9 Ų61.961%0.60735%0.346SS*.  trans-132124.7168.4-61.20000108
70F93.7Very high93.5Very high18 Ų1860.8 Ų60.88%0.07934%0.335CS..  trans-88.7143.5173.2-60.6-63.3000109.4L50 G52 L61 W63 T68 S75 A79 I81L50-F70 WeakPolarHBondContact O-CD2 3.48Å; G52-F70 VanDerWaalsContact CA-O 3.31Å; G52-F70 WeakPolarHBondContact CA-O 3.44Å; L61-F70 HydrophobicContact CD1-CD2 4.2Å; L61-F70 HydrophobicContact CD1-CE2 4.26Å; L61-F70 HydrophobicContact CD2-CD2 4.34Å; L61-F70 HydrophobicContact CD2-CE2 3.79Å; W63-F70 HydrophobicContact CB-CZ 4.37Å; W63-F70 HydrophobicContact CG-CZ 4.3Å; T68-F70 HydrophobicContact CG2-CD1 4.2Å; T68-F70 HydrophobicContact CG2-CE1 3.76Å; T68-F70 HydrophobicContact CG2-CE2 4.37Å; T68-F70 HydrophobicContact CG2-CZ 3.88Å; F70-S75 WeakPolarHBondContact CB-OG 3.47Å; F70-A79 HydrophobicContact CD1-CB 4.45Å; F70-A79 HydrophobicContact CE1-CB 3.49Å; F70-A79 VanDerWaalsContact CE1-CB 3.49Å; F70-A79 HydrophobicContact CZ-CB 4.06Å; F70-I81 HydrophobicContact CE2-CD1 3.57Å; F70-I81 HydrophobicContact CZ-CD1 3.66Å
71T92.1Very high93.3Very high131 Ų13158.7 Ų58.780%0.80432%0.322SS*.SBendtrans-105.215.1-177.959.60000112.4S75T71-S75 PolarHBondContact N-OG 2.83Å
72G92.2Very high93.1Very high13 Ų1358.6 Ų58.613%0.13432%0.322CS..SBendtrans145.8170.9177.800000112.9T51 G52 K74 S75 S76T51-G72 CarbonylContact O-C 3.56Å; T51-G72 WeakPolarHBondContact O-CA 3.22Å; T51-G72 VanDerWaalsContact O-O 3.14Å; G52-G72 PolarHBondContact O-N 3.2Å; G72-K74 VanDerWaalsContact C-N 3.29Å; G72-K74 PolarHBondContact O-N 3.15Å; G72-K74 VanDerWaalsContact O-N 3.16Å; G72-S75 PolarHBondContact N-OG 2.81Å; G72-S75 WeakPolarHBondContact O-CB 3.35Å; G72-S75 PolarHBondContact O-N 2.83Å; G72-S75 PolarHBondContact O-OG 2.95Å; G72-S76 PolarHBondContact O-N 3.01Å
73P88.1Confident92.9Very high53 Ų5357.3 Ų57.334%0.34432%0.315SS..Hα-helixtrans-56.1-38.6-170.1-2935.8000114.6I53 S75 S76 Q77I53-P73 HydrophobicContact CD1-CG 3.86Å; I53-P73 HydrophobicContact CG1-CG 3.58Å; P73-S75 VanDerWaalsContact C-N 3.33Å; P73-S75 PolarHBondContact O-N 3.42Å; P73-S76 PolarHBondContact O-N 3.39Å; P73-S76 PolarHBondContact O-OG 2.95Å; P73-Q77 WeakPolarHBondContact O-CB 3.42Å; P73-Q77 WeakPolarHBondContact O-CG 3.49Å; P73-Q77 PolarHBondContact O-N 2.98Å
74K88.6Confident92.6Very high145 Ų14556.3 Ų56.363%0.6331%0.311SS*.Hα-helixtrans-60.7-42.7177.2-177.1172.6175.1174.10111.7G72 S76 Q77 E78G72-K74 VanDerWaalsContact C-N 3.29Å; G72-K74 PolarHBondContact O-N 3.15Å; G72-K74 VanDerWaalsContact O-N 3.16Å; K74-S76 PolarHBondContact O-N 3.31Å; K74-Q77 PolarHBondContact O-N 2.8Å; K74-E78 WeakPolarHBondContact CE-OE1 3.26Å; K74-E78 HydrophobicContact CG-CG 4.39Å; K74-E78 IonicContact NZ-OE1 2.84Å; K74-E78 WeakPolarHBondContact O-CB 3.34Å; K74-E78 WeakPolarHBondContact O-CG 3.32Å; K74-E78 PolarHBondContact O-N 3.02Å
75S92.5Very high92.1Very high29 Ų2955.2 Ų55.220%0.20330%0.304CS..Hα-helixtrans-66.5-36.6179.872.10000112.5F70 T71 G72 P73 A79F70-S75 WeakPolarHBondContact CB-OG 3.47Å; T71-S75 PolarHBondContact N-OG 2.83Å; G72-S75 PolarHBondContact N-OG 2.81Å; G72-S75 WeakPolarHBondContact O-CB 3.35Å; G72-S75 PolarHBondContact O-N 2.83Å; G72-S75 PolarHBondContact O-OG 2.95Å; P73-S75 VanDerWaalsContact C-N 3.33Å; P73-S75 PolarHBondContact O-N 3.42Å; S75-A79 WeakPolarHBondContact O-CB 3.03Å; S75-A79 PolarHBondContact O-N 2.65Å; S75-A79 VanDerWaalsContact O-N 3.17Å
76S92.8Very high91.4Very high0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-71.7-38.517555.40000111.9G72 P73 K74 A79 G80 I81G72-S76 PolarHBondContact O-N 3.01Å; P73-S76 PolarHBondContact O-N 3.39Å; P73-S76 PolarHBondContact O-OG 2.95Å; K74-S76 PolarHBondContact O-N 3.31Å; S76-A79 PolarHBondContact O-N 2.92Å; S76-G80 PolarHBondContact O-N 3.08Å; S76-I81 CarbonylContact C-O 3.42Å; S76-I81 WeakPolarHBondContact O-CB 3.47Å; S76-I81 PolarHBondContact O-N 3.36Å
77Q90.4Very high90.6Very high51 Ų5157.3 Ų57.324%0.23830%0.304CS..Hα-helixtrans-64-46.9175.8-77.8177.9-16.200112.2P73 K74 A79 G80 I81 F158P73-Q77 WeakPolarHBondContact O-CB 3.42Å; P73-Q77 WeakPolarHBondContact O-CG 3.49Å; P73-Q77 PolarHBondContact O-N 2.98Å; K74-Q77 PolarHBondContact O-N 2.8Å; Q77-A79 PolarHBondContact O-N 3.07Å; Q77-G80 WeakPolarHBondContact O-CA 3.5Å; Q77-G80 PolarHBondContact O-N 3.49Å; Q77-I81 VanDerWaalsContact CA-O 3.27Å; Q77-I81 WeakPolarHBondContact CA-O 3.37Å; Q77-I81 WeakPolarHBondContact CG-O 3.3Å; Q77-I81 PolarHBondContact N-O 2.58Å; Q77-F158 HydrophobicContact CB-CE1 4.38Å
78E90.2Very high90Very high143 Ų14353.9 Ų53.967%0.66829%0.289SS*.Hα-helixtrans-62.3-30.6176.1-73.4174.7171.100112.3K74 G80K74-E78 WeakPolarHBondContact CE-OE1 3.26Å; K74-E78 HydrophobicContact CG-CG 4.39Å; K74-E78 IonicContact NZ-OE1 2.84Å; K74-E78 WeakPolarHBondContact O-CB 3.34Å; K74-E78 WeakPolarHBondContact O-CG 3.32Å; K74-E78 PolarHBondContact O-N 3.02Å; E78-G80 PolarHBondContact O-N 3.39Å
79A92.6Very high89.5Confident38 Ų3856.5 Ų56.531%0.31430%0.302SS..THydrogen-bonded Turntrans-74.7-11.7173.600000113.9W63 F70 S75 S76 Q77W63-A79 VanDerWaalsContact CZ2-O 3.23Å; W63-A79 WeakPolarHBondContact CZ2-O 3.4Å; W63-A79 PolarHBondContact NE1-O 2.77Å; F70-A79 HydrophobicContact CD1-CB 4.45Å; F70-A79 HydrophobicContact CE1-CB 3.49Å; F70-A79 VanDerWaalsContact CE1-CB 3.49Å; F70-A79 HydrophobicContact CZ-CB 4.06Å; S75-A79 WeakPolarHBondContact O-CB 3.03Å; S75-A79 PolarHBondContact O-N 2.65Å; S75-A79 VanDerWaalsContact O-N 3.17Å; S76-A79 PolarHBondContact O-N 2.92Å; Q77-A79 PolarHBondContact O-N 3.07Å
80G93.8Very high89.5Confident8 Ų852.8 Ų52.88%0.08228%0.278CS..THydrogen-bonded Turntrans103.925.317900000115.1S76 Q77 E78 S160 K161 V162S76-G80 PolarHBondContact O-N 3.08Å; Q77-G80 WeakPolarHBondContact O-CA 3.5Å; Q77-G80 PolarHBondContact O-N 3.49Å; E78-G80 PolarHBondContact O-N 3.39Å; G80-S160 CarbonylContact O-C 3.59Å; G80-S160 WeakPolarHBondContact O-CA 3.49Å; G80-K161 PolarHBondContact O-N 2.87Å; G80-V162 PolarHBondContact O-N 3Å; G80-V162 VanDerWaalsContact O-N 3.15Å
81I94.5Very high89.6Confident0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-112.8106.1174.9-53.4178.3000109.9L5 L50 W63 F70 S76 Q77 V162 I164L5-I81 HydrophobicContact CD1-CD1 4.25Å; L5-I81 HydrophobicContact CD2-CD1 4.37Å; L50-I81 HydrophobicContact CD2-CD1 4.21Å; L50-I81 HydrophobicContact CD2-CG2 3.86Å; W63-I81 HydrophobicContact CD2-CD1 4.36Å; W63-I81 HydrophobicContact CE3-CD1 4.01Å; W63-I81 HydrophobicContact CE3-CG1 4.26Å; W63-I81 HydrophobicContact CH2-CD1 4.44Å; W63-I81 HydrophobicContact CH2-CG1 3.79Å; W63-I81 HydrophobicContact CZ2-CG1 4.17Å; W63-I81 HydrophobicContact CZ3-CD1 4.06Å; W63-I81 HydrophobicContact CZ3-CG1 3.86Å; F70-I81 HydrophobicContact CE2-CD1 3.57Å; F70-I81 HydrophobicContact CZ-CD1 3.66Å; S76-I81 CarbonylContact C-O 3.42Å; S76-I81 WeakPolarHBondContact O-CB 3.47Å; S76-I81 PolarHBondContact O-N 3.36Å; Q77-I81 VanDerWaalsContact CA-O 3.27Å; Q77-I81 WeakPolarHBondContact CA-O 3.37Å; Q77-I81 WeakPolarHBondContact CG-O 3.3Å; Q77-I81 PolarHBondContact N-O 2.58Å; I81-V162 WeakPolarHBondContact CA-O 3.3Å; I81-V162 HydrophobicContact CG1-CB 4.49Å; I81-V162 HydrophobicContact CG2-CG1 4.38Å; I81-I164 HydrophobicContact CG2-CD1 3.96Å
82G92.6Very high89.7Confident0 Ų051.6 Ų51.60%027%0.27CS..EExtended strand (participates in β ladder)trans-88.7143.9173.600000111.7S160 V162 I163 I164G82-S160 PolarHBondContact N-OG 3.49Å; G82-V162 PolarHBondContact N-O 2.64Å; G82-I163 CarbonylContact O-C 3.55Å; G82-I163 WeakPolarHBondContact O-CA 3.1Å; G82-I164 PolarHBondContact O-N 3.28Å
83I91.3Very high89.9Confident6 Ų657.7 Ų57.73%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-132.6133.7175.9-172.5160.5000110.5M47 T51 H85 V155 I164M47-I83 HydrophobicContact CB-CD1 4.18Å; T51-I83 HydrophobicContact CG2-CB 4.41Å; T51-I83 HydrophobicContact CG2-CD1 3.79Å; T51-I83 HydrophobicContact CG2-CG2 4.24Å; I83-H85 WeakPolarHBondContact CG2-NE2 2.83Å; I83-V155 VanDerWaalsContact O-CG2 3.26Å; I83-V155 WeakPolarHBondContact O-CG2 3.49Å; I83-I164 CarbonylContact C-O 3.56Å; I83-I164 WeakPolarHBondContact CA-O 3.23Å; I83-I164 HydrophobicContact CB-CB 4.31Å; I83-I164 HydrophobicContact CD1-CB 4.39Å; I83-I164 HydrophobicContact CD1-CG2 4.05Å; I83-I164 HydrophobicContact CG1-CB 4.03Å; I83-I164 HydrophobicContact CG1-CG2 4.01Å
84I90.3Very high90.3Very high1 Ų157.1 Ų57.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-108119.3170.5-53.8173000105.9E151 I152 V155 I164 M165 D166I84-E151 HydrophobicContact CG2-CB 4.39Å; I84-I152 HydrophobicContact CD1-CB 4.16Å; I84-I152 HydrophobicContact CD1-CG1 3.7Å; I84-I152 HydrophobicContact CD1-CG2 4.36Å; I84-I152 HydrophobicContact CG2-CG1 4.47Å; I84-V155 HydrophobicContact CD1-CB 4.28Å; I84-V155 HydrophobicContact CD1-CG2 4.46Å; I84-V155 HydrophobicContact CG1-CB 3.84Å; I84-V155 HydrophobicContact CG1-CG1 4.16Å; I84-V155 HydrophobicContact CG1-CG2 3.52Å; I84-I164 PolarHBondContact N-O 2.91Å; I84-M165 HydrophobicContact CD1-CE 4.28Å; I84-M165 HydrophobicContact CD1-CG 4.02Å; I84-M165 HydrophobicContact CD1-SD 4.43Å; I84-D166 WeakPolarHBondContact O-CB 3.29Å; I84-D166 PolarHBondContact O-N 3.43Å
85H84.7Confident90.8Very high55 Ų5550.8 Ų50.826%0.25526%0.263SS..  trans-90.2154.9-179.4-65.5-69.8000111I83I83-H85 WeakPolarHBondContact CG2-NE2 2.83Å
86Q79.6Confident91Very high90 Ų9049.4 Ų49.442%0.42125%0.253SS..SBendtrans-64-41173.1-172.8176.520.700111.7D166 E167 D170Q86-D166 PolarHBondContact N-O 3.07Å; Q86-E167 HydrophobicContact CG-CB 4.31Å; Q86-E167 PolarHBondContact NE2-OE2 2.88Å; Q86-D170 PolarHBondContact NE2-OD2 3.36Å; Q86-D170 VanDerWaalsContact NE2-OD2 3.08Å
87E78.9Confident91.2Very high161 Ų16149.4 Ų49.475%0.75225%0.253SS*.SBendtrans-83.5127.4173.3-68.3-176.5174.100111.1N89E87-N89 PolarHBondContact O-N 3.23Å; E87-N89 PolarHBondContact O-ND2 2.99Å; E87-N89 VanDerWaalsContact O-ND2 3.1Å
88L83.2Confident91.5Very high53 Ų5349.2 Ų49.228%0.27725%0.252SS..  trans-61.6126179.2-66.9170.5000111.2I144 Q147 Q148 E151L88-I144 HydrophobicContact CD1-CG2 4.12Å; L88-Q147 HydrophobicContact CD1-CB 3.81Å; L88-Q147 HydrophobicContact CD2-CB 4.11Å; L88-Q148 HydrophobicContact CD2-CB 4.3Å; L88-E151 HydrophobicContact CD2-CG 4.11Å
89N85Confident91.8Very high93 Ų9342.4 Ų42.450%0.49722%0.22SC..  trans-113.540.8178.1-75.8-68.9000111.6E87 E151 K154E87-N89 PolarHBondContact O-N 3.23Å; E87-N89 PolarHBondContact O-ND2 2.99Å; E87-N89 VanDerWaalsContact O-ND2 3.1Å; N89-E151 PolarHBondContact N-OE1 2.96Å; N89-K154 PolarHBondContact O-NZ 3.12Å
90L92.1Very high92Very high20 Ų2040.7 Ų40.711%0.10521%0.206CC..  trans-96.5149.2175.8-58.5172.6000110.8P92 N99 V139 Q147 I150 E151L90-P92 WeakPolarHBondContact O-CD 3.44Å; L90-N99 WeakPolarHBondContact CA-OD1 3.39Å; L90-N99 HydrophobicContact CD2-CB 3.95Å; L90-V139 HydrophobicContact CB-CG1 3.83Å; L90-V139 HydrophobicContact CD1-CG1 3.61Å; L90-V139 HydrophobicContact CG-CG1 4.32Å; L90-Q147 HydrophobicContact CD1-CB 3.98Å; L90-Q147 HydrophobicContact CD1-CG 4.48Å; L90-Q147 VanDerWaalsContact CD1-O 3.29Å; L90-Q147 WeakPolarHBondContact CD1-O 3.47Å; L90-I150 HydrophobicContact CD1-CB 3.93Å; L90-I150 HydrophobicContact CD1-CG2 4.08Å; L90-I150 HydrophobicContact CD2-CG2 3.95Å; L90-E151 HydrophobicContact CD1-CG 4.15Å; L90-E151 HydrophobicContact CD2-CG 3.95Å; L90-E151 WeakPolarHBondContact CD2-OE1 3.26Å; L90-E151 HydrophobicContact CG-CG 3.84Å; L90-E151 VanDerWaalsContact CG-OE1 3.26Å; L90-E151 WeakPolarHBondContact CG-OE1 3.37Å; L90-E151 PolarHBondContact N-OE1 3.5Å
91I95.8Very high92Very high66 Ų6640.9 Ų40.934%0.33820%0.204SC..  trans-93.4108.3173.9-56.9178000107.5Q93 L94 N99 L102I91-Q93 PolarHBondContact O-N 3.32Å; I91-Q93 VanDerWaalsContact O-N 3.14Å; I91-L94 HydrophobicContact CB-CB 4.35Å; I91-L94 HydrophobicContact CB-CD1 3.97Å; I91-L94 HydrophobicContact CB-CG 4.05Å; I91-L94 HydrophobicContact CD1-CD1 3.81Å; I91-L94 HydrophobicContact CG1-CD1 4.43Å; I91-L94 HydrophobicContact CG2-CB 4.4Å; I91-L94 HydrophobicContact CG2-CD1 4.04Å; I91-L94 HydrophobicContact CG2-CG 3.77Å; I91-L94 PolarHBondContact O-N 2.83Å; I91-L94 VanDerWaalsContact O-N 3.1Å; I91-N99 PolarHBondContact N-OD1 3.3Å; I91-N99 PolarHBondContact O-ND2 3.16Å; I91-L102 HydrophobicContact CD1-CD2 3.76Å
92P94.5Very high91.9Very high58 Ų5845.1 Ų45.138%0.37723%0.227SC..THydrogen-bonded Turntrans-61.6-27.1-172.5-24.434.6000113.9L90 L94 G140L90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-L94 VanDerWaalsContact C-N 3.3Å; P92-G140 PolarHBondContact O-N 3.33Å
93Q96.8Very high91.8Very high141 Ų14148.1 Ų48.166%0.65926%0.258SS*.THydrogen-bonded Turntrans-83-5.3-177.6-58.877.320.700113.6I91 L138I91-Q93 PolarHBondContact O-N 3.32Å; I91-Q93 VanDerWaalsContact O-N 3.14Å; Q93-L138 WeakPolarHBondContact O-CD2 3.33Å
94L96.7Very high91.7Very high41 Ų4151.9 Ų51.922%0.21527%0.271CS..SBendtrans-102.3155.1175.6-63.6-176.5000110.5I91 P92 E98 N99 L102 V139I91-L94 HydrophobicContact CB-CB 4.35Å; I91-L94 HydrophobicContact CB-CD1 3.97Å; I91-L94 HydrophobicContact CB-CG 4.05Å; I91-L94 HydrophobicContact CD1-CD1 3.81Å; I91-L94 HydrophobicContact CG1-CD1 4.43Å; I91-L94 HydrophobicContact CG2-CB 4.4Å; I91-L94 HydrophobicContact CG2-CD1 4.04Å; I91-L94 HydrophobicContact CG2-CG 3.77Å; I91-L94 PolarHBondContact O-N 2.83Å; I91-L94 VanDerWaalsContact O-N 3.1Å; P92-L94 VanDerWaalsContact C-N 3.3Å; L94-E98 HydrophobicContact CB-CB 3.92Å; L94-E98 HydrophobicContact CD1-CB 4.33Å; L94-N99 WeakPolarHBondContact CB-ND2 3.47Å; L94-N99 PolarHBondContact O-ND2 2.87Å; L94-L102 HydrophobicContact CD1-CD1 4.21Å; L94-V139 PolarHBondContact O-N 2.84Å; L94-V139 VanDerWaalsContact O-N 3.08Å
95T97.6Very high91.9Very high13 Ų1355.1 Ų55.18%0.0829%0.286CS..BIsolated β-bridgetrans-66.1164172.963.50000111.3A97 E98 N99 D136 K137 L138T95-A97 VanDerWaalsContact C-N 3.31Å; T95-A97 PolarHBondContact O-N 2.71Å; T95-E98 VanDerWaalsContact CB-OE2 3.3Å; T95-E98 WeakPolarHBondContact CB-OE2 3.26Å; T95-E98 VanDerWaalsContact CG2-OE2 3.3Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.41Å; T95-E98 PolarHBondContact N-OE2 2.95Å; T95-E98 PolarHBondContact O-N 3.27Å; T95-E98 VanDerWaalsContact OG1-CG 3.26Å; T95-E98 WeakPolarHBondContact OG1-CG 3.2Å; T95-E98 PolarHBondContact OG1-N 3Å; T95-E98 PolarHBondContact OG1-OE2 2.89Å; T95-N99 PolarHBondContact O-N 2.9Å; T95-N99 PolarHBondContact O-ND2 2.91Å; T95-D136 VanDerWaalsContact CG2-O 3.23Å; T95-D136 WeakPolarHBondContact CG2-O 3.39Å; T95-K137 CarbonylContact C-O 3.57Å; T95-K137 VanDerWaalsContact CA-O 3.24Å; T95-K137 WeakPolarHBondContact CA-O 3.27Å; T95-L138 HydrophobicContact CG2-CD2 4.29Å
96I97.5Very high92.4Very high0 Ų055.9 Ų55.90%029%0.289CS..Hα-helixtrans-57.4-46175-66.2152.2000110.8E98 N99 I100 L126 F133 K134 S135 K137 V139 L142 I150I96-E98 PolarHBondContact O-N 2.89Å; I96-N99 PolarHBondContact O-N 3.38Å; I96-I100 HydrophobicContact CG2-CD1 3.71Å; I96-I100 HydrophobicContact CG2-CG1 4.39Å; I96-I100 VanDerWaalsContact O-CG1 3.32Å; I96-I100 WeakPolarHBondContact O-CG1 3.33Å; I96-I100 PolarHBondContact O-N 2.83Å; I96-L126 HydrophobicContact CG2-CD1 4.06Å; I96-L126 HydrophobicContact CG2-CD2 3.89Å; I96-L126 HydrophobicContact CG2-CG 4.42Å; I96-F133 HydrophobicContact CD1-CD2 3.47Å; I96-F133 VanDerWaalsContact CD1-CD2 3.47Å; I96-F133 HydrophobicContact CD1-CE2 3.48Å; I96-F133 VanDerWaalsContact CD1-CE2 3.48Å; I96-F133 HydrophobicContact CG1-CE2 4.5Å; I96-K134 WeakPolarHBondContact CD1-O 3.43Å; I96-S135 PolarHBondContact N-O 2.77Å; I96-K137 HydrophobicContact CD1-CB 4.02Å; I96-K137 PolarHBondContact N-O 3.37Å; I96-V139 HydrophobicContact CG1-CG2 4Å; I96-L142 HydrophobicContact CD1-CD1 4.03Å; I96-L142 HydrophobicContact CG1-CD1 3.92Å; I96-I150 HydrophobicContact CG1-CD1 4.26Å; I96-I150 HydrophobicContact CG1-CG1 4.33Å; I96-I150 HydrophobicContact CG2-CD1 3.68Å; I96-I150 HydrophobicContact CG2-CG1 4.26Å; I96-I150 HydrophobicContact CG2-CG2 4.09Å
97A97.5Very high93.1Very high0 Ų055.8 Ų55.80%030%0.295CS..Hα-helixtrans-62-42.5179.400000112.2T95 I100 F101 M118 Y119 A122 S135T95-A97 VanDerWaalsContact C-N 3.31Å; T95-A97 PolarHBondContact O-N 2.71Å; A97-I100 PolarHBondContact O-N 2.98Å; A97-F101 WeakPolarHBondContact O-CD2 3.49Å; A97-F101 PolarHBondContact O-N 2.91Å; A97-F101 VanDerWaalsContact O-N 3.07Å; A97-M118 HydrophobicContact CB-CE 3.96Å; A97-M118 HydrophobicContact CB-CG 4.27Å; A97-Y119 HydrophobicContact CB-CD1 3.41Å; A97-Y119 VanDerWaalsContact CB-CD1 3.41Å; A97-Y119 HydrophobicContact CB-CE1 3.62Å; A97-Y119 HydrophobicContact CB-CG 4.43Å; A97-A122 HydrophobicContact CB-CB 3.74Å; A97-S135 PolarHBondContact N-O 3.07Å
98E97Very high93.8Very high46 Ų4651.1 Ų51.122%0.21528%0.275CS..Hα-helixtrans-62.1-42.8176.1-73.7169.3113.500111.6L94 T95 I96 F101 L102 W115 M118L94-E98 HydrophobicContact CB-CB 3.92Å; L94-E98 HydrophobicContact CD1-CB 4.33Å; T95-E98 VanDerWaalsContact CB-OE2 3.3Å; T95-E98 WeakPolarHBondContact CB-OE2 3.26Å; T95-E98 VanDerWaalsContact CG2-OE2 3.3Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.41Å; T95-E98 PolarHBondContact N-OE2 2.95Å; T95-E98 PolarHBondContact O-N 3.27Å; T95-E98 VanDerWaalsContact OG1-CG 3.26Å; T95-E98 WeakPolarHBondContact OG1-CG 3.2Å; T95-E98 PolarHBondContact OG1-N 3Å; T95-E98 PolarHBondContact OG1-OE2 2.89Å; I96-E98 PolarHBondContact O-N 2.89Å; E98-F101 PolarHBondContact O-N 3.1Å; E98-L102 WeakPolarHBondContact O-CA 3.32Å; E98-L102 WeakPolarHBondContact O-CB 3.39Å; E98-L102 PolarHBondContact O-N 3.5Å; E98-W115 HydrophobicContact CG-CH2 3.87Å; E98-W115 HydrophobicContact CG-CZ3 3.58Å; E98-W115 WeakPolarHBondContact OE1-CH2 3.42Å; E98-M118 HydrophobicContact CB-CE 4.47Å; E98-M118 HydrophobicContact CG-CE 3.72Å
99N96.3Very high94.2Very high1 Ų160.5 Ų60.51%0.00531%0.307CS..Hα-helixtrans-63.5-42.9177.1-88.8-80.6000112.9L90 I91 L94 T95 I96 V139L90-N99 WeakPolarHBondContact CA-OD1 3.39Å; L90-N99 HydrophobicContact CD2-CB 3.95Å; I91-N99 PolarHBondContact N-OD1 3.3Å; I91-N99 PolarHBondContact O-ND2 3.16Å; L94-N99 WeakPolarHBondContact CB-ND2 3.47Å; L94-N99 PolarHBondContact O-ND2 2.87Å; T95-N99 PolarHBondContact O-N 2.9Å; T95-N99 PolarHBondContact O-ND2 2.91Å; I96-N99 PolarHBondContact O-N 3.38Å; N99-V139 HydrophobicContact CB-CG2 4.21Å; N99-V139 VanDerWaalsContact ND2-CG2 3.26Å; N99-V139 WeakPolarHBondContact ND2-CG2 3.44Å
100I95.4Very high94.6Very high1 Ų165 Ų651%0.00532%0.322CS..Hα-helixtrans-63.9-43-179.8-71.8172.1000110.8I96 A97 R104 A122 L125 I150 A153 K154I96-I100 HydrophobicContact CG2-CD1 3.71Å; I96-I100 HydrophobicContact CG2-CG1 4.39Å; I96-I100 VanDerWaalsContact O-CG1 3.32Å; I96-I100 WeakPolarHBondContact O-CG1 3.33Å; I96-I100 PolarHBondContact O-N 2.83Å; A97-I100 PolarHBondContact O-N 2.98Å; I100-R104 PolarHBondContact O-NH2 2.86Å; I100-A122 HydrophobicContact CD1-CB 4.21Å; I100-L125 HydrophobicContact CG2-CD1 3.78Å; I100-I150 HydrophobicContact CG1-CG2 4.17Å; I100-A153 HydrophobicContact CD1-CB 3.85Å; I100-A153 HydrophobicContact CG1-CB 4.32Å; I100-K154 HydrophobicContact CG1-CB 4.38Å
101F95.4Very high94.6Very high13 Ų1366.7 Ų66.76%0.05734%0.344CS..Hα-helixtrans-104.313.1-172.4-63-67.3000114.4A97 E98 G103 R104 E105 F106 M118 E121 A122 L125A97-F101 WeakPolarHBondContact O-CD2 3.49Å; A97-F101 PolarHBondContact O-N 2.91Å; A97-F101 VanDerWaalsContact O-N 3.07Å; E98-F101 PolarHBondContact O-N 3.1Å; F101-G103 PolarHBondContact O-N 3.4Å; F101-R104 CarbonylContact O-C 3.48Å; F101-R104 WeakPolarHBondContact O-CA 3.29Å; F101-R104 PolarHBondContact O-N 3.02Å; F101-E105 PolarHBondContact O-N 3.1Å; F101-F106 AromaticContact CD1-CE2 3.7Å; F101-F106 HydrophobicContact CD1-CE2 3.7Å; F101-F106 HydrophobicContact CD1-CZ 4.34Å; F101-F106 HydrophobicContact CD2-CE2 4.09Å; F101-F106 AromaticContact CE1-CE2 3.61Å; F101-F106 HydrophobicContact CE1-CE2 3.61Å; F101-F106 AromaticContact CE1-CZ 3.97Å; F101-F106 HydrophobicContact CE1-CZ 3.97Å; F101-F106 AromaticContact CE2-CE2 3.99Å; F101-F106 HydrophobicContact CE2-CE2 3.99Å; F101-F106 HydrophobicContact CG-CD2 4.49Å; F101-F106 AromaticContact CG-CE2 3.95Å; F101-F106 HydrophobicContact CG-CE2 3.95Å; F101-F106 AromaticContact CZ-CE2 3.77Å; F101-F106 HydrophobicContact CZ-CE2 3.77Å; F101-F106 HydrophobicContact CZ-CZ 4.27Å; F101-M118 HydrophobicContact CB-CG 4.1Å; F101-M118 HydrophobicContact CB-SD 4.12Å; F101-M118 HydrophobicContact CD2-CG 3.48Å; F101-M118 VanDerWaalsContact CD2-CG 3.48Å; F101-M118 HydrophobicContact CD2-SD 4.5Å; F101-M118 HydrophobicContact CE2-CG 4.25Å; F101-M118 WeakPolarHBondContact CE2-O 3.26Å; F101-M118 HydrophobicContact CG-CG 4.08Å; F101-E121 HydrophobicContact CE2-CB 4.09Å; F101-E121 HydrophobicContact CZ-CB 3.7Å; F101-A122 HydrophobicContact CE2-CB 3.89Å; F101-L125 HydrophobicContact CZ-CD1 4.13Å
102L91.9Very high94.5Very high89 Ų8970.9 Ų70.947%0.46636%0.36SS..THydrogen-bonded Turntrans-54.9124.4-178.1-167.665.1000111.7I91 L94 E98 R104I91-L102 HydrophobicContact CD1-CD2 3.76Å; L94-L102 HydrophobicContact CD1-CD1 4.21Å; E98-L102 WeakPolarHBondContact O-CA 3.32Å; E98-L102 WeakPolarHBondContact O-CB 3.39Å; E98-L102 PolarHBondContact O-N 3.5Å; L102-R104 PolarHBondContact O-N 3.45Å
103G89.2Confident94.6Very high63 Ų6371.2 Ų71.265%0.64936%0.358SS*.THydrogen-bonded Turntrans76.24-175.600000115.1F101 E105F101-G103 PolarHBondContact O-N 3.4Å; G103-E105 WeakPolarHBondContact CA-OE2 3.42Å; G103-E105 PolarHBondContact N-OE1 3.47Å
104R91Very high94.6Very high84 Ų8466.9 Ų66.932%0.31734%0.34SS..  trans-13836.5178.5-61.2-179.7-65.3145.16.4110.2I100 F101 L102 F106 S157 F158I100-R104 PolarHBondContact O-NH2 2.86Å; F101-R104 CarbonylContact O-C 3.48Å; F101-R104 WeakPolarHBondContact O-CA 3.29Å; F101-R104 PolarHBondContact O-N 3.02Å; L102-R104 PolarHBondContact O-N 3.45Å; R104-F106 PolarHBondContact O-N 2.86Å; R104-S157 PolarHBondContact NH1-O 2.96Å; R104-S157 PolarHBondContact NH2-OG 3.21Å; R104-F158 VanDerWaalsContact CZ-CE2 3.4Å; R104-F158 VanDerWaalsContact NE-CE1 3.3Å; R104-F158 VanDerWaalsContact NE-CZ 3.3Å; R104-F158 VanDerWaalsContact NH1-CE1 3.3Å; R104-F158 VanDerWaalsContact NH1-CG 3.32Å; R104-F158 VanDerWaalsContact NH2-CZ 3.26Å
105E94.4Very high94.5Very high69 Ų6969.8 Ų69.832%0.32235%0.348SS..  trans-62.6135.3-176.1-59.179.2-175.300110.1F101 G103 V107 I113F101-E105 PolarHBondContact O-N 3.1Å; G103-E105 WeakPolarHBondContact CA-OE2 3.42Å; G103-E105 PolarHBondContact N-OE1 3.47Å; E105-V107 PolarHBondContact O-N 3.45Å; E105-I113 HydrophobicContact CB-CD1 4.35Å; E105-I113 HydrophobicContact CB-CG1 4.12Å; E105-I113 HydrophobicContact CB-CG2 4.4Å; E105-I113 HydrophobicContact CG-CD1 4.16Å; E105-I113 HydrophobicContact CG-CG1 4.49Å
106F94Very high94.4Very high71 Ų7177.6 Ų77.631%0.31138%0.381SS..  trans-64.6125.9171.5-65.4-88.7000108.5F101 R104 I113 D114 T117 M118 E121F101-F106 AromaticContact CD1-CE2 3.7Å; F101-F106 HydrophobicContact CD1-CE2 3.7Å; F101-F106 HydrophobicContact CD1-CZ 4.34Å; F101-F106 HydrophobicContact CD2-CE2 4.09Å; F101-F106 AromaticContact CE1-CE2 3.61Å; F101-F106 HydrophobicContact CE1-CE2 3.61Å; F101-F106 AromaticContact CE1-CZ 3.97Å; F101-F106 HydrophobicContact CE1-CZ 3.97Å; F101-F106 AromaticContact CE2-CE2 3.99Å; F101-F106 HydrophobicContact CE2-CE2 3.99Å; F101-F106 HydrophobicContact CG-CD2 4.49Å; F101-F106 AromaticContact CG-CE2 3.95Å; F101-F106 HydrophobicContact CG-CE2 3.95Å; F101-F106 AromaticContact CZ-CE2 3.77Å; F101-F106 HydrophobicContact CZ-CE2 3.77Å; F101-F106 HydrophobicContact CZ-CZ 4.27Å; R104-F106 PolarHBondContact O-N 2.86Å; F106-I113 CarbonylContact O-C 3.57Å; F106-I113 VanDerWaalsContact O-CA 3.32Å; F106-I113 WeakPolarHBondContact O-CA 3.35Å; F106-D114 HydrophobicContact CB-CB 4.34Å; F106-D114 PolarHBondContact O-N 3.29Å; F106-T117 HydrophobicContact CB-CG2 4.4Å; F106-T117 HydrophobicContact CD1-CG2 3.86Å; F106-T117 HydrophobicContact CE1-CG2 4.28Å; F106-T117 HydrophobicContact CG-CG2 4.02Å; F106-M118 HydrophobicContact CD2-CB 3.92Å; F106-M118 HydrophobicContact CD2-CG 3.99Å; F106-E121 HydrophobicContact CE1-CG 4.35Å; F106-E121 HydrophobicContact CE2-CB 4.15Å; F106-E121 HydrophobicContact CE2-CG 4.19Å; F106-E121 HydrophobicContact CZ-CB 4.11Å; F106-E121 HydrophobicContact CZ-CG 3.77Å
107V94.4Very high94.4Very high89 Ų8979.9 Ų79.954%0.53940%0.395SS..BIsolated β-bridgetrans-117.6142177.9-66.90000111E105 K112E105-V107 PolarHBondContact O-N 3.45Å; V107-K112 CarbonylContact C-O 3.59Å; V107-K112 WeakPolarHBondContact CA-O 3.49Å
108N93.7Very high94.3Very high62 Ų6280 Ų8033%0.33240%0.395SS..  trans-75.8176.4172.168.725000111.2F110 G111 K112N108-F110 PolarHBondContact O-N 3.36Å; N108-F110 WeakPolarHBondContact OD1-CA 3.41Å; N108-F110 WeakPolarHBondContact OD1-CB 3.26Å; N108-F110 PolarHBondContact OD1-N 2.95Å; N108-G111 PolarHBondContact O-N 3.06Å; N108-G111 PolarHBondContact OD1-N 2.82Å; N108-K112 PolarHBondContact N-O 3.22Å; N108-K112 PolarHBondContact OD1-N 3.32Å; N108-K112 VanDerWaalsContact OD1-N 3.13Å; N108-K112 PolarHBondContact OD1-O 2.99Å
109R92Very high94.3Very high251 Ų25180.7 Ų80.795%0.94740%0.396SS*.THydrogen-bonded Turntrans-58.3-13.7179.5-65.9-175.8180-175.7-0.2114.7
110F92.9Very high94.3Very high186 Ų18682.7 Ų82.782%0.81641%0.413SS*.THydrogen-bonded Turntrans-103.58177.6-56.8-77.4000113.1N108 K112N108-F110 PolarHBondContact O-N 3.36Å; N108-F110 WeakPolarHBondContact OD1-CA 3.41Å; N108-F110 WeakPolarHBondContact OD1-CB 3.26Å; N108-F110 PolarHBondContact OD1-N 2.95Å; F110-K112 VanDerWaalsContact C-N 3.3Å; F110-K112 PolarHBondContact O-N 3.3Å
111G92.1Very high94.4Very high56 Ų5685.8 Ų85.858%0.57743%0.427SS*.SBendtrans769.2178.900000115.1N108N108-G111 PolarHBondContact O-N 3.06Å; N108-G111 PolarHBondContact OD1-N 2.82Å
112K95.1Very high94.5Very high154 Ų15485.1 Ų85.167%0.6742%0.424SS*.  trans-87144.8172.1-67.3-175.5177.2-177.80110.2V107 N108 F110 D114V107-K112 CarbonylContact C-O 3.59Å; V107-K112 WeakPolarHBondContact CA-O 3.49Å; N108-K112 PolarHBondContact N-O 3.22Å; N108-K112 PolarHBondContact OD1-N 3.32Å; N108-K112 VanDerWaalsContact OD1-N 3.13Å; N108-K112 PolarHBondContact OD1-O 2.99Å; F110-K112 VanDerWaalsContact C-N 3.3Å; F110-K112 PolarHBondContact O-N 3.3Å; K112-D114 PolarHBondContact O-N 3.29Å
113I95.2Very high94.7Very high65 Ų6583.7 Ų83.733%0.33342%0.417SS..BIsolated β-bridgetrans-57.8125.7175.9-59.4174000109.9E105 F106 W115 M118E105-I113 HydrophobicContact CB-CD1 4.35Å; E105-I113 HydrophobicContact CB-CG1 4.12Å; E105-I113 HydrophobicContact CB-CG2 4.4Å; E105-I113 HydrophobicContact CG-CD1 4.16Å; E105-I113 HydrophobicContact CG-CG1 4.49Å; F106-I113 CarbonylContact O-C 3.57Å; F106-I113 VanDerWaalsContact O-CA 3.32Å; F106-I113 WeakPolarHBondContact O-CA 3.35Å; I113-W115 HydrophobicContact CB-CZ2 4.38Å; I113-W115 HydrophobicContact CD1-CZ2 4.05Å; I113-W115 HydrophobicContact CG2-CD2 3.89Å; I113-W115 HydrophobicContact CG2-CE3 4.42Å; I113-W115 HydrophobicContact CG2-CG 4.18Å; I113-W115 HydrophobicContact CG2-CZ2 4.07Å; I113-W115 PolarHBondContact O-N 3.5Å; I113-M118 HydrophobicContact CG2-SD 4.35Å
114D96.6Very high95Very high51 Ų5186.5 Ų86.527%0.27341%0.411SS..  trans-88.779.7171.6-176.5-0.4000109.7F106 K112 K116 T117 M118F106-D114 HydrophobicContact CB-CB 4.34Å; F106-D114 PolarHBondContact O-N 3.29Å; K112-D114 PolarHBondContact O-N 3.29Å; D114-K116 PolarHBondContact O-N 3.26Å; D114-K116 PolarHBondContact OD1-N 3.17Å; D114-T117 PolarHBondContact O-N 2.94Å; D114-T117 PolarHBondContact OD1-N 3.49Å; D114-T117 PolarHBondContact OD1-OG1 2.85Å; D114-T117 WeakPolarHBondContact OD2-CB 3.35Å; D114-T117 PolarHBondContact OD2-OG1 3.33Å; D114-M118 PolarHBondContact O-N 3.06Å
115W96.1Very high95.1Very high102 Ų10283.6 Ų83.639%0.38640%0.402SS..Hα-helixtrans-53.7-35.7178.1-65.7100.5000113.2E98 I113 M118 Y119E98-W115 HydrophobicContact CG-CH2 3.87Å; E98-W115 HydrophobicContact CG-CZ3 3.58Å; E98-W115 WeakPolarHBondContact OE1-CH2 3.42Å; I113-W115 HydrophobicContact CB-CZ2 4.38Å; I113-W115 HydrophobicContact CD1-CZ2 4.05Å; I113-W115 HydrophobicContact CG2-CD2 3.89Å; I113-W115 HydrophobicContact CG2-CE3 4.42Å; I113-W115 HydrophobicContact CG2-CG 4.18Å; I113-W115 HydrophobicContact CG2-CZ2 4.07Å; I113-W115 PolarHBondContact O-N 3.5Å; W115-M118 HydrophobicContact CD2-CE 4.49Å; W115-M118 HydrophobicContact CE3-CE 3.44Å; W115-M118 VanDerWaalsContact CE3-CE 3.44Å; W115-M118 HydrophobicContact CH2-CE 4.21Å; W115-M118 HydrophobicContact CZ3-CE 3.28Å; W115-M118 PolarHBondContact O-N 3.4Å; W115-Y119 HydrophobicContact CB-CD2 4.28Å; W115-Y119 HydrophobicContact CB-CE2 4.04Å; W115-Y119 AromaticContact CE3-CE2 3.97Å; W115-Y119 HydrophobicContact CE3-CE2 3.97Å; W115-Y119 AromaticContact CE3-CZ 3.9Å; W115-Y119 WeakPolarHBondContact O-CB 3.44Å; W115-Y119 WeakPolarHBondContact O-CD2 3.37Å; W115-Y119 PolarHBondContact O-N 2.92Å
116K95.9Very high95.2Very high177 Ų17780.4 Ų80.477%0.7739%0.387SS*.Hα-helixtrans-64.3-46.8-178.3-176-177.3178-176.50110.6D114 A120D114-K116 PolarHBondContact O-N 3.26Å; D114-K116 PolarHBondContact OD1-N 3.17Å; K116-A120 WeakPolarHBondContact O-CB 3.4Å; K116-A120 PolarHBondContact O-N 3.32Å; K116-A120 VanDerWaalsContact O-N 3.12Å
117T95.9Very high95.1Very high48 Ų4880.3 Ų80.329%0.29440%0.4SS..Hα-helixtrans-68-41.6177-59.60000110.7F106 D114 Y119 A120 E121F106-T117 HydrophobicContact CB-CG2 4.4Å; F106-T117 HydrophobicContact CD1-CG2 3.86Å; F106-T117 HydrophobicContact CE1-CG2 4.28Å; F106-T117 HydrophobicContact CG-CG2 4.02Å; D114-T117 PolarHBondContact O-N 2.94Å; D114-T117 PolarHBondContact OD1-N 3.49Å; D114-T117 PolarHBondContact OD1-OG1 2.85Å; D114-T117 WeakPolarHBondContact OD2-CB 3.35Å; D114-T117 PolarHBondContact OD2-OG1 3.33Å; T117-Y119 PolarHBondContact O-N 3.28Å; T117-A120 PolarHBondContact O-N 3.34Å; T117-E121 HydrophobicContact CG2-CG 4.33Å; T117-E121 WeakPolarHBondContact O-CG 3.45Å; T117-E121 PolarHBondContact O-N 3.42Å
118M95.9Very high94.9Very high1 Ų181.4 Ų81.41%0.00540%0.397CS..Hα-helixtrans-60.5-47.6179.6-162.217481.500112.8A97 E98 F101 F106 I113 D114 W115 A122A97-M118 HydrophobicContact CB-CE 3.96Å; A97-M118 HydrophobicContact CB-CG 4.27Å; E98-M118 HydrophobicContact CB-CE 4.47Å; E98-M118 HydrophobicContact CG-CE 3.72Å; F101-M118 HydrophobicContact CB-CG 4.1Å; F101-M118 HydrophobicContact CB-SD 4.12Å; F101-M118 HydrophobicContact CD2-CG 3.48Å; F101-M118 VanDerWaalsContact CD2-CG 3.48Å; F101-M118 HydrophobicContact CD2-SD 4.5Å; F101-M118 HydrophobicContact CE2-CG 4.25Å; F101-M118 WeakPolarHBondContact CE2-O 3.26Å; F101-M118 HydrophobicContact CG-CG 4.08Å; F106-M118 HydrophobicContact CD2-CB 3.92Å; F106-M118 HydrophobicContact CD2-CG 3.99Å; I113-M118 HydrophobicContact CG2-SD 4.35Å; D114-M118 PolarHBondContact O-N 3.06Å; W115-M118 HydrophobicContact CD2-CE 4.49Å; W115-M118 HydrophobicContact CE3-CE 3.44Å; W115-M118 VanDerWaalsContact CE3-CE 3.44Å; W115-M118 HydrophobicContact CH2-CE 4.21Å; W115-M118 HydrophobicContact CZ3-CE 3.28Å; W115-M118 PolarHBondContact O-N 3.4Å; M118-A122 WeakPolarHBondContact O-CB 3.08Å; M118-A122 PolarHBondContact O-N 3.49Å
119Y97.1Very high94.8Very high62 Ų6278.5 Ų78.524%0.24338%0.382CS..Hα-helixtrans-64.6-40.3175.1-69.4-52.8000112A97 W115 T117 E121 A122 D123 S135 D136A97-Y119 HydrophobicContact CB-CD1 3.41Å; A97-Y119 VanDerWaalsContact CB-CD1 3.41Å; A97-Y119 HydrophobicContact CB-CE1 3.62Å; A97-Y119 HydrophobicContact CB-CG 4.43Å; W115-Y119 HydrophobicContact CB-CD2 4.28Å; W115-Y119 HydrophobicContact CB-CE2 4.04Å; W115-Y119 AromaticContact CE3-CE2 3.97Å; W115-Y119 HydrophobicContact CE3-CE2 3.97Å; W115-Y119 AromaticContact CE3-CZ 3.9Å; W115-Y119 WeakPolarHBondContact O-CB 3.44Å; W115-Y119 WeakPolarHBondContact O-CD2 3.37Å; W115-Y119 PolarHBondContact O-N 2.92Å; T117-Y119 PolarHBondContact O-N 3.28Å; Y119-E121 PolarHBondContact O-N 3.22Å; Y119-A122 PolarHBondContact O-N 3.26Å; Y119-D123 WeakPolarHBondContact O-CB 3.39Å; Y119-D123 VanDerWaalsContact O-CG 3.26Å; Y119-D123 PolarHBondContact O-N 3.45Å; Y119-S135 WeakPolarHBondContact CA-OG 3.32Å; Y119-S135 WeakPolarHBondContact CD1-OG 3.3Å; Y119-S135 PolarHBondContact O-OG 3.1Å; Y119-S135 VanDerWaalsContact O-OG 3.07Å; Y119-D136 HydrophobicContact CD1-CB 4.12Å; Y119-D136 HydrophobicContact CE1-CB 3.73Å
120A96.9Very high94.7Very high43 Ų4370.5 Ų70.536%0.35536%0.357SS..Hα-helixtrans-64.6-41.1179.200000112.9K116 T117 K124K116-A120 WeakPolarHBondContact O-CB 3.4Å; K116-A120 PolarHBondContact O-N 3.32Å; K116-A120 VanDerWaalsContact O-N 3.12Å; T117-A120 PolarHBondContact O-N 3.34Å; A120-K124 WeakPolarHBondContact O-CG 3.43Å; A120-K124 PolarHBondContact O-N 3.41Å
121E96.4Very high94.6Very high65 Ų6562.6 Ų62.630%0.30432%0.324SS..Hα-helixtrans-71.2-36.9175.7-66.5-5312800111.9F101 F106 T117 Y119 K124 L125F101-E121 HydrophobicContact CE2-CB 4.09Å; F101-E121 HydrophobicContact CZ-CB 3.7Å; F106-E121 HydrophobicContact CE1-CG 4.35Å; F106-E121 HydrophobicContact CE2-CB 4.15Å; F106-E121 HydrophobicContact CE2-CG 4.19Å; F106-E121 HydrophobicContact CZ-CB 4.11Å; F106-E121 HydrophobicContact CZ-CG 3.77Å; T117-E121 HydrophobicContact CG2-CG 4.33Å; T117-E121 WeakPolarHBondContact O-CG 3.45Å; T117-E121 PolarHBondContact O-N 3.42Å; Y119-E121 PolarHBondContact O-N 3.22Å; E121-K124 PolarHBondContact O-N 3.37Å; E121-K124 IonicContact OE1-NZ 3.97Å; E121-K124 PolarHBondContact OE1-NZ 2.98Å; E121-K124 IonicContact OE2-NZ 3.06Å; E121-L125 PolarHBondContact O-N 3.4Å
122A97.1Very high94.5Very high0 Ų071 Ų710%034%0.338CS..Hα-helixtrans-62.9-48.4173.800000111.2A97 I100 F101 M118 Y119 K124 L125 L126A97-A122 HydrophobicContact CB-CB 3.74Å; I100-A122 HydrophobicContact CD1-CB 4.21Å; F101-A122 HydrophobicContact CE2-CB 3.89Å; M118-A122 WeakPolarHBondContact O-CB 3.08Å; M118-A122 PolarHBondContact O-N 3.49Å; Y119-A122 PolarHBondContact O-N 3.26Å; A122-K124 PolarHBondContact O-N 3.07Å; A122-L125 WeakPolarHBondContact O-CA 3.26Å; A122-L125 WeakPolarHBondContact O-CB 3.46Å; A122-L125 PolarHBondContact O-N 2.79Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 3.33Å
123D97Very high94.3Very high59 Ų5965.8 Ų65.832%0.31632%0.315SS..Hα-helixtrans-59.1-33179.3-74.8-12.4000112.3Y119 L126 A127 S135Y119-D123 WeakPolarHBondContact O-CB 3.39Å; Y119-D123 VanDerWaalsContact O-CG 3.26Å; Y119-D123 PolarHBondContact O-N 3.45Å; D123-L126 PolarHBondContact O-N 3.02Å; D123-A127 WeakPolarHBondContact O-CB 3.34Å; D123-A127 PolarHBondContact O-N 3.37Å; D123-S135 WeakPolarHBondContact OD1-CB 3.43Å; D123-S135 PolarHBondContact OD1-N 2.84Å; D123-S135 PolarHBondContact OD1-OG 3.35Å
124K95.2Very high94.3Very high121 Ų12169.4 Ų69.453%0.52633%0.329SS..Hα-helixtrans-64.1-41.2172.7-71.6171.1-172.2173.30112.3A120 E121 A122 K128A120-K124 WeakPolarHBondContact O-CG 3.43Å; A120-K124 PolarHBondContact O-N 3.41Å; E121-K124 PolarHBondContact O-N 3.37Å; E121-K124 IonicContact OE1-NZ 3.97Å; E121-K124 PolarHBondContact OE1-NZ 2.98Å; E121-K124 IonicContact OE2-NZ 3.06Å; A122-K124 PolarHBondContact O-N 3.07Å; K124-K128 PolarHBondContact O-N 3.24Å; K124-K128 VanDerWaalsContact O-N 3.14Å
125L94.4Very high94.3Very high24 Ų2467 Ų6713%0.12632%0.316CS..Hα-helixtrans-67.5-42.3176.9-65.8166000111I100 F101 E121 A122 A127 K128 L129 A153 L156I100-L125 HydrophobicContact CG2-CD1 3.78Å; F101-L125 HydrophobicContact CZ-CD1 4.13Å; E121-L125 PolarHBondContact O-N 3.4Å; A122-L125 WeakPolarHBondContact O-CA 3.26Å; A122-L125 WeakPolarHBondContact O-CB 3.46Å; A122-L125 PolarHBondContact O-N 2.79Å; L125-A127 VanDerWaalsContact C-N 3.35Å; L125-A127 PolarHBondContact O-N 3.45Å; L125-K128 WeakPolarHBondContact O-CB 3.24Å; L125-K128 PolarHBondContact O-N 2.99Å; L125-L129 PolarHBondContact O-N 3Å; L125-A153 HydrophobicContact CB-CB 4.26Å; L125-L156 HydrophobicContact CD2-CB 4.05Å
126L95.2Very high94.3Very high2 Ų266.6 Ų66.61%0.0132%0.321CS..Hα-helixtrans-60.8-43.7175.5-61.1-176.9000111.6I96 A122 D123 K128 L129 N130 L131 F133 I150I96-L126 HydrophobicContact CG2-CD1 4.06Å; I96-L126 HydrophobicContact CG2-CD2 3.89Å; I96-L126 HydrophobicContact CG2-CG 4.42Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 3.33Å; D123-L126 PolarHBondContact O-N 3.02Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 2.66Å; L126-L129 CarbonylContact O-C 3.58Å; L126-L129 PolarHBondContact O-N 3.14Å; L126-L129 VanDerWaalsContact O-N 3.1Å; L126-N130 PolarHBondContact O-N 2.95Å; L126-N130 VanDerWaalsContact O-N 3.12Å; L126-L131 HydrophobicContact CB-CB 4.16Å; L126-L131 HydrophobicContact CD2-CD1 3.62Å; L126-L131 PolarHBondContact O-N 2.96Å; L126-F133 HydrophobicContact CD1-CD2 4.32Å; L126-F133 HydrophobicContact CD1-CE2 4.33Å; L126-F133 HydrophobicContact CD2-CE2 4.37Å; L126-I150 HydrophobicContact CD2-CD1 3.43Å; L126-I150 VanDerWaalsContact CD2-CD1 3.43Å
127A93Very high94.3Very high69 Ų6962 Ų6257%0.5730%0.301SS*.Hα-helixtrans-62.2-38.917700000112.6D123 L125 L129 N130D123-A127 WeakPolarHBondContact O-CB 3.34Å; D123-A127 PolarHBondContact O-N 3.37Å; L125-A127 VanDerWaalsContact C-N 3.35Å; L125-A127 PolarHBondContact O-N 3.45Å; A127-L129 PolarHBondContact O-N 2.98Å; A127-N130 PolarHBondContact O-N 3.49Å
128K89.6Confident94.4Very high111 Ų11163 Ų6348%0.48331%0.305SS..Hα-helixtrans-60.5-35.4173.8-78.6-166.8173-150.10112.6K124 L125 L126 N130 E186K124-K128 PolarHBondContact O-N 3.24Å; K124-K128 VanDerWaalsContact O-N 3.14Å; L125-K128 WeakPolarHBondContact O-CB 3.24Å; L125-K128 PolarHBondContact O-N 2.99Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 2.66Å; K128-N130 VanDerWaalsContact C-N 3.26Å; K128-N130 PolarHBondContact O-N 3.1Å; K128-E186 IonicContact NZ-OE1 2.6Å; K128-E186 PolarHBondContact NZ-OE1 3.08Å
129L91.2Very high94.4Very high2 Ų263 Ų631%0.0130%0.304CS..THydrogen-bonded Turntrans-86.36.1177.7-70.7166.9000113.3L125 L126 A127 L131 M149 I152 A153 L156 V183L125-L129 PolarHBondContact O-N 3Å; L126-L129 CarbonylContact O-C 3.58Å; L126-L129 PolarHBondContact O-N 3.14Å; L126-L129 VanDerWaalsContact O-N 3.1Å; A127-L129 PolarHBondContact O-N 2.98Å; L129-L131 HydrophobicContact CB-CD1 4.19Å; L129-L131 HydrophobicContact CB-CG 4.09Å; L129-L131 PolarHBondContact O-N 3.08Å; L129-M149 HydrophobicContact CB-CE 3.86Å; L129-M149 WeakPolarHBondContact CD1-O 3.23Å; L129-M149 HydrophobicContact CD2-CE 3.56Å; L129-M149 HydrophobicContact CG-CE 4.2Å; L129-I152 HydrophobicContact CD1-CG2 4.33Å; L129-I152 HydrophobicContact CD2-CG2 3.79Å; L129-A153 HydrophobicContact CD1-CB 3.53Å; L129-L156 HydrophobicContact CD1-CD1 4.22Å; L129-L156 HydrophobicContact CD2-CD1 4.15Å; L129-L156 HydrophobicContact CG-CD1 4.26Å; L129-V183 HydrophobicContact CD2-CG2 3.78Å
130N90.1Very high94.3Very high82 Ų8261.9 Ų61.944%0.43931%0.312SS..THydrogen-bonded Turntrans59.626-179.5-160.932.6000114L126 A127 K128L126-N130 PolarHBondContact O-N 2.95Å; L126-N130 VanDerWaalsContact O-N 3.12Å; A127-N130 PolarHBondContact O-N 3.49Å; K128-N130 VanDerWaalsContact C-N 3.26Å; K128-N130 PolarHBondContact O-N 3.1Å
131L91.5Very high94.2Very high21 Ų2164.8 Ų64.811%0.1132%0.322CS..  trans-82.1134.9174.9-61.6173.7000109.9L126 L129 F133 M149 I150L126-L131 HydrophobicContact CB-CB 4.16Å; L126-L131 HydrophobicContact CD2-CD1 3.62Å; L126-L131 PolarHBondContact O-N 2.96Å; L129-L131 HydrophobicContact CB-CD1 4.19Å; L129-L131 HydrophobicContact CB-CG 4.09Å; L129-L131 PolarHBondContact O-N 3.08Å; L131-F133 HydrophobicContact CB-CE1 4.18Å; L131-F133 HydrophobicContact CB-CE2 4.31Å; L131-F133 HydrophobicContact CB-CZ 3.97Å; L131-F133 HydrophobicContact CD1-CE2 4.23Å; L131-F133 HydrophobicContact CD1-CZ 3.81Å; L131-F133 HydrophobicContact CD2-CE1 4.03Å; L131-F133 HydrophobicContact CD2-CZ 3.96Å; L131-F133 HydrophobicContact CG-CZ 4.13Å; L131-M149 HydrophobicContact CD1-CB 3.86Å; L131-M149 HydrophobicContact CD2-CB 4.08Å; L131-M149 HydrophobicContact CD2-CG 4.37Å; L131-M149 HydrophobicContact CG-CB 4.41Å; L131-I150 HydrophobicContact CD1-CD1 3.84Å
132R88.3Confident94.1Very high233 Ų23362.3 Ų62.388%0.87931%0.31SS*.  trans-99.6-7.5-170.2-63.9-175.6179.9178.51.3114.9
133F91.7Very high93.8Very high44 Ų4465.1 Ų65.119%0.19333%0.33CS..SBendtrans-90.9161.2177.748.5-100.8000111.1I96 L126 L131 L142 D146 I150I96-F133 HydrophobicContact CD1-CD2 3.47Å; I96-F133 VanDerWaalsContact CD1-CD2 3.47Å; I96-F133 HydrophobicContact CD1-CE2 3.48Å; I96-F133 VanDerWaalsContact CD1-CE2 3.48Å; I96-F133 HydrophobicContact CG1-CE2 4.5Å; L126-F133 HydrophobicContact CD1-CD2 4.32Å; L126-F133 HydrophobicContact CD1-CE2 4.33Å; L126-F133 HydrophobicContact CD2-CE2 4.37Å; L131-F133 HydrophobicContact CB-CE1 4.18Å; L131-F133 HydrophobicContact CB-CE2 4.31Å; L131-F133 HydrophobicContact CB-CZ 3.97Å; L131-F133 HydrophobicContact CD1-CE2 4.23Å; L131-F133 HydrophobicContact CD1-CZ 3.81Å; L131-F133 HydrophobicContact CD2-CE1 4.03Å; L131-F133 HydrophobicContact CD2-CZ 3.96Å; L131-F133 HydrophobicContact CG-CZ 4.13Å; F133-L142 HydrophobicContact CD1-CD2 4.21Å; F133-L142 HydrophobicContact CD2-CD2 4.2Å; F133-L142 HydrophobicContact CE1-CD2 4.05Å; F133-L142 HydrophobicContact CE2-CD1 4.16Å; F133-L142 HydrophobicContact CE2-CD2 4.04Å; F133-L142 HydrophobicContact CG-CD2 4.27Å; F133-L142 HydrophobicContact CZ-CD1 4.17Å; F133-L142 HydrophobicContact CZ-CD2 3.95Å; F133-D146 HydrophobicContact CE1-CB 4.12Å; F133-D146 WeakPolarHBondContact CE1-OD1 3.46Å; F133-D146 HydrophobicContact CZ-CB 4.11Å; F133-I150 HydrophobicContact CE2-CD1 3.96Å; F133-I150 HydrophobicContact CZ-CD1 4.2Å
134K94.5Very high93.5Very high141 Ų14167.1 Ų67.161%0.61334%0.34SS*.  trans-86.8152.7-179.9-68.4-162.1177.4-169.50111.8I96 D136 K137I96-K134 WeakPolarHBondContact CD1-O 3.43Å; K134-D136 WeakPolarHBondContact CB-OD1 3.23Å; K134-D136 PolarHBondContact O-N 3.14Å; K134-K137 WeakPolarHBondContact O-CB 3.33Å; K134-K137 PolarHBondContact O-N 3.33Å
135S96.8Very high93.3Very high1 Ų161.6 Ų61.61%0.00732%0.317CS..THydrogen-bonded Turntrans-72.8-4.9-17758.10000115.6I96 A97 Y119 D123 K137I96-S135 PolarHBondContact N-O 2.77Å; A97-S135 PolarHBondContact N-O 3.07Å; Y119-S135 WeakPolarHBondContact CA-OG 3.32Å; Y119-S135 WeakPolarHBondContact CD1-OG 3.3Å; Y119-S135 PolarHBondContact O-OG 3.1Å; Y119-S135 VanDerWaalsContact O-OG 3.07Å; D123-S135 WeakPolarHBondContact OD1-CB 3.43Å; D123-S135 PolarHBondContact OD1-N 2.84Å; D123-S135 PolarHBondContact OD1-OG 3.35Å; S135-K137 VanDerWaalsContact C-N 3.34Å
136D95.9Very high93.1Very high93 Ų9362.1 Ų62.150%0.49732%0.32SS..THydrogen-bonded Turntrans-85.2-4.6172.964.1-17.4000113.6T95 Y119 K134T95-D136 VanDerWaalsContact CG2-O 3.23Å; T95-D136 WeakPolarHBondContact CG2-O 3.39Å; Y119-D136 HydrophobicContact CD1-CB 4.12Å; Y119-D136 HydrophobicContact CE1-CB 3.73Å; K134-D136 WeakPolarHBondContact CB-OD1 3.23Å; K134-D136 PolarHBondContact O-N 3.14Å
137K96.6Very high93.1Very high80 Ų8063.3 Ų63.335%0.34833%0.326SS..SBendtrans-74.4145.2174.2-159.3-179.9179.4-1560111T95 I96 K134 S135 D141 L142T95-K137 CarbonylContact C-O 3.57Å; T95-K137 VanDerWaalsContact CA-O 3.24Å; T95-K137 WeakPolarHBondContact CA-O 3.27Å; I96-K137 HydrophobicContact CD1-CB 4.02Å; I96-K137 PolarHBondContact N-O 3.37Å; K134-K137 WeakPolarHBondContact O-CB 3.33Å; K134-K137 PolarHBondContact O-N 3.33Å; S135-K137 VanDerWaalsContact C-N 3.34Å; K137-D141 PolarHBondContact NZ-O 2.8Å; K137-D141 VanDerWaalsContact NZ-O 3.07Å; K137-L142 HydrophobicContact CD-CD2 4.04Å
138L97.4Very high93.1Very high69 Ų6960.3 Ų60.336%0.36130%0.3SS..BIsolated β-bridgetrans-66.9139.9171.9-67.8177.7000110.9Q93 T95 G140 D141Q93-L138 WeakPolarHBondContact O-CD2 3.33Å; T95-L138 HydrophobicContact CG2-CD2 4.29Å; L138-G140 VanDerWaalsContact C-N 3.28Å; L138-G140 PolarHBondContact O-N 3.2Å; L138-D141 PolarHBondContact O-N 3.46Å
139V96.4Very high93.2Very high0 Ų055.1 Ų55.10%028%0.277CS..G310 helixtrans-65.2-34.4177.5172.10000111.6L90 L94 I96 N99 D141 L142 Q147L90-V139 HydrophobicContact CB-CG1 3.83Å; L90-V139 HydrophobicContact CD1-CG1 3.61Å; L90-V139 HydrophobicContact CG-CG1 4.32Å; L94-V139 PolarHBondContact O-N 2.84Å; L94-V139 VanDerWaalsContact O-N 3.08Å; I96-V139 HydrophobicContact CG1-CG2 4Å; N99-V139 HydrophobicContact CB-CG2 4.21Å; N99-V139 VanDerWaalsContact ND2-CG2 3.26Å; N99-V139 WeakPolarHBondContact ND2-CG2 3.44Å; V139-D141 PolarHBondContact O-N 3.45Å; V139-D141 VanDerWaalsContact O-N 3.1Å; V139-L142 VanDerWaalsContact O-CB 3.3Å; V139-L142 WeakPolarHBondContact O-CB 3.14Å; V139-L142 PolarHBondContact O-N 3.06Å; V139-Q147 HydrophobicContact CG1-CG 3.9Å
140G94.7Very high93.4Very high40 Ų4055 Ų5541%0.41228%0.277SS..G310 helixtrans-61.8-17178.400000114.9P92 L138 L142P92-G140 PolarHBondContact O-N 3.33Å; L138-G140 VanDerWaalsContact C-N 3.28Å; L138-G140 PolarHBondContact O-N 3.2Å; G140-L142 VanDerWaalsContact C-N 3.35Å
141D95.4Very high93.5Very high103 Ų10351.5 Ų51.555%0.55126%0.258SS*.G310 helixtrans-93.58.1178.5-61.3-23.6000113K137 L138 V139K137-D141 PolarHBondContact NZ-O 2.8Å; K137-D141 VanDerWaalsContact NZ-O 3.07Å; L138-D141 PolarHBondContact O-N 3.46Å; V139-D141 PolarHBondContact O-N 3.45Å; V139-D141 VanDerWaalsContact O-N 3.1Å
142L93.5Very high93.5Very high13 Ų1350.5 Ų50.57%0.06825%0.253CS..SBendtrans-100.6152.1-179.5-59.8-178.9000111.2I96 F133 K137 V139 G140 D146 Q147 I150I96-L142 HydrophobicContact CD1-CD1 4.03Å; I96-L142 HydrophobicContact CG1-CD1 3.92Å; F133-L142 HydrophobicContact CD1-CD2 4.21Å; F133-L142 HydrophobicContact CD2-CD2 4.2Å; F133-L142 HydrophobicContact CE1-CD2 4.05Å; F133-L142 HydrophobicContact CE2-CD1 4.16Å; F133-L142 HydrophobicContact CE2-CD2 4.04Å; F133-L142 HydrophobicContact CG-CD2 4.27Å; F133-L142 HydrophobicContact CZ-CD1 4.17Å; F133-L142 HydrophobicContact CZ-CD2 3.95Å; K137-L142 HydrophobicContact CD-CD2 4.04Å; V139-L142 VanDerWaalsContact O-CB 3.3Å; V139-L142 WeakPolarHBondContact O-CB 3.14Å; V139-L142 PolarHBondContact O-N 3.06Å; G140-L142 VanDerWaalsContact C-N 3.35Å; L142-D146 HydrophobicContact CB-CB 3.88Å; L142-D146 HydrophobicContact CD1-CB 4.42Å; L142-Q147 HydrophobicContact CB-CG 3.88Å; L142-Q147 PolarHBondContact O-NE2 3.34Å; L142-I150 HydrophobicContact CD1-CD1 4.41Å; L142-I150 HydrophobicContact CD1-CG1 3.78Å
143S92.4Very high93.8Very high59 Ų5939.4 Ų39.441%0.41321%0.211SC..  trans-63.8161.1169.373.30000110.9G145 D146 Q147S143-G145 VanDerWaalsContact C-N 3.29Å; S143-G145 PolarHBondContact O-N 3.04Å; S143-D146 PolarHBondContact O-N 3.48Å; S143-D146 WeakPolarHBondContact OG-CB 3.26Å; S143-D146 PolarHBondContact OG-N 3.26Å; S143-D146 VanDerWaalsContact OG-N 3.16Å; S143-D146 PolarHBondContact OG-OD2 3.21Å; S143-Q147 VanDerWaalsContact O-CG 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.48Å; S143-Q147 PolarHBondContact O-N 3.12Å
144I90.8Very high93.9Very high101 Ų10139.2 Ų39.252%0.51821%0.21SC..Hα-helixtrans-60.8-39.5178.6-57.8-60.7000111.3L88 Q147 Q148 A171L88-I144 HydrophobicContact CD1-CG2 4.12Å; I144-Q147 WeakPolarHBondContact O-CB 3.21Å; I144-Q147 PolarHBondContact O-N 3.06Å; I144-Q148 PolarHBondContact O-N 2.92Å; I144-A171 HydrophobicContact CG2-CB 3.76Å
145G89.2Confident93.6Very high5 Ų532.7 Ų32.75%0.05218%0.182CC..Hα-helixtrans-63.1-44.917600000112.5S143 Q147 Q148 M149 A171 L172S143-G145 VanDerWaalsContact C-N 3.29Å; S143-G145 PolarHBondContact O-N 3.04Å; G145-Q147 VanDerWaalsContact C-N 3.32Å; G145-Q147 PolarHBondContact O-N 2.94Å; G145-Q148 WeakPolarHBondContact O-CB 3.32Å; G145-Q148 PolarHBondContact O-N 2.68Å; G145-Q148 VanDerWaalsContact O-N 3.16Å; G145-M149 WeakPolarHBondContact O-CG 3.49Å; G145-M149 PolarHBondContact O-N 2.92Å; G145-A171 VanDerWaalsContact CA-O 3.32Å; G145-A171 WeakPolarHBondContact CA-O 3.4Å; G145-L172 WeakPolarHBondContact O-CD2 3.33Å
146D91.8Very high93.3Very high36 Ų3633.9 Ų33.919%0.19319%0.188CC..Hα-helixtrans-60-42.3173.9-71-48000111.7F133 L142 S143 Q148 M149 I150F133-D146 HydrophobicContact CE1-CB 4.12Å; F133-D146 WeakPolarHBondContact CE1-OD1 3.46Å; F133-D146 HydrophobicContact CZ-CB 4.11Å; L142-D146 HydrophobicContact CB-CB 3.88Å; L142-D146 HydrophobicContact CD1-CB 4.42Å; S143-D146 PolarHBondContact O-N 3.48Å; S143-D146 WeakPolarHBondContact OG-CB 3.26Å; S143-D146 PolarHBondContact OG-N 3.26Å; S143-D146 VanDerWaalsContact OG-N 3.16Å; S143-D146 PolarHBondContact OG-OD2 3.21Å; D146-Q148 VanDerWaalsContact C-N 3.32Å; D146-Q148 PolarHBondContact O-N 3.3Å; D146-M149 WeakPolarHBondContact O-CB 3.41Å; D146-M149 PolarHBondContact O-N 3.21Å; D146-M149 VanDerWaalsContact O-N 3.15Å; D146-I150 WeakPolarHBondContact O-CG1 3.35Å; D146-I150 PolarHBondContact O-N 3.13Å
147Q94Very high93.1Very high27 Ų2730.7 Ų30.713%0.12617%0.173CC..Hα-helixtrans-60-42176.1-70.3-179.83800111.3L88 L90 V139 L142 S143 I144 G145 M149 I150 E151L88-Q147 HydrophobicContact CD1-CB 3.81Å; L88-Q147 HydrophobicContact CD2-CB 4.11Å; L90-Q147 HydrophobicContact CD1-CB 3.98Å; L90-Q147 HydrophobicContact CD1-CG 4.48Å; L90-Q147 VanDerWaalsContact CD1-O 3.29Å; L90-Q147 WeakPolarHBondContact CD1-O 3.47Å; V139-Q147 HydrophobicContact CG1-CG 3.9Å; L142-Q147 HydrophobicContact CB-CG 3.88Å; L142-Q147 PolarHBondContact O-NE2 3.34Å; S143-Q147 VanDerWaalsContact O-CG 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.48Å; S143-Q147 PolarHBondContact O-N 3.12Å; I144-Q147 WeakPolarHBondContact O-CB 3.21Å; I144-Q147 PolarHBondContact O-N 3.06Å; G145-Q147 VanDerWaalsContact C-N 3.32Å; G145-Q147 PolarHBondContact O-N 2.94Å; Q147-M149 VanDerWaalsContact C-N 3.31Å; Q147-M149 PolarHBondContact O-N 3.07Å; Q147-I150 WeakPolarHBondContact O-CA 3.28Å; Q147-I150 WeakPolarHBondContact O-CB 3.3Å; Q147-I150 PolarHBondContact O-N 2.82Å; Q147-E151 PolarHBondContact O-N 2.89Å; Q147-E151 VanDerWaalsContact O-N 3.11Å
148Q92.8Very high92.7Very high6 Ų628.4 Ų28.43%0.02816%0.163CC..Hα-helixtrans-61.4-40.4174.9-172.365.4900111.9L88 I144 G145 D146 I150 E151 I152 P168 L172L88-Q148 HydrophobicContact CD2-CB 4.3Å; I144-Q148 PolarHBondContact O-N 2.92Å; G145-Q148 WeakPolarHBondContact O-CB 3.32Å; G145-Q148 PolarHBondContact O-N 2.68Å; G145-Q148 VanDerWaalsContact O-N 3.16Å; D146-Q148 VanDerWaalsContact C-N 3.32Å; D146-Q148 PolarHBondContact O-N 3.3Å; Q148-I150 VanDerWaalsContact C-N 3.26Å; Q148-I150 PolarHBondContact O-N 2.84Å; Q148-E151 PolarHBondContact O-N 3.4Å; Q148-I152 PolarHBondContact O-N 2.87Å; Q148-P168 WeakPolarHBondContact CG-O 3.39Å; Q148-L172 HydrophobicContact CB-CD2 3.92Å; Q148-L172 HydrophobicContact CG-CD2 4.09Å; Q148-L172 HydrophobicContact CG-CG 4.43Å
149M92.9Very high92.2Very high1 Ų133.9 Ų33.91%0.00519%0.187CC..Hα-helixtrans-64.3-29.9174-63.4-64-73.800112.4L129 L131 G145 D146 Q147 I152 A153 L172 E176L129-M149 HydrophobicContact CB-CE 3.86Å; L129-M149 WeakPolarHBondContact CD1-O 3.23Å; L129-M149 HydrophobicContact CD2-CE 3.56Å; L129-M149 HydrophobicContact CG-CE 4.2Å; L131-M149 HydrophobicContact CD1-CB 3.86Å; L131-M149 HydrophobicContact CD2-CB 4.08Å; L131-M149 HydrophobicContact CD2-CG 4.37Å; L131-M149 HydrophobicContact CG-CB 4.41Å; G145-M149 WeakPolarHBondContact O-CG 3.49Å; G145-M149 PolarHBondContact O-N 2.92Å; D146-M149 WeakPolarHBondContact O-CB 3.41Å; D146-M149 PolarHBondContact O-N 3.21Å; D146-M149 VanDerWaalsContact O-N 3.15Å; Q147-M149 VanDerWaalsContact C-N 3.31Å; Q147-M149 PolarHBondContact O-N 3.07Å; M149-I152 PolarHBondContact O-N 3.45Å; M149-I152 HydrophobicContact SD-CD1 3.61Å; M149-A153 PolarHBondContact O-N 3.05Å; M149-L172 HydrophobicContact CG-CD2 4.07Å; M149-L172 HydrophobicContact SD-CD1 4.07Å; M149-L172 HydrophobicContact SD-CD2 4.17Å; M149-E176 HydrophobicContact SD-CB 4.48Å
150I94.7Very high92Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-68.6-39.8171.9-58-42.9000112.1L90 I96 I100 L126 L131 F133 L142 D146 Q147 Q148 I152 A153 K154L90-I150 HydrophobicContact CD1-CB 3.93Å; L90-I150 HydrophobicContact CD1-CG2 4.08Å; L90-I150 HydrophobicContact CD2-CG2 3.95Å; I96-I150 HydrophobicContact CG1-CD1 4.26Å; I96-I150 HydrophobicContact CG1-CG1 4.33Å; I96-I150 HydrophobicContact CG2-CD1 3.68Å; I96-I150 HydrophobicContact CG2-CG1 4.26Å; I96-I150 HydrophobicContact CG2-CG2 4.09Å; I100-I150 HydrophobicContact CG1-CG2 4.17Å; L126-I150 HydrophobicContact CD2-CD1 3.43Å; L126-I150 VanDerWaalsContact CD2-CD1 3.43Å; L131-I150 HydrophobicContact CD1-CD1 3.84Å; F133-I150 HydrophobicContact CE2-CD1 3.96Å; F133-I150 HydrophobicContact CZ-CD1 4.2Å; L142-I150 HydrophobicContact CD1-CD1 4.41Å; L142-I150 HydrophobicContact CD1-CG1 3.78Å; D146-I150 WeakPolarHBondContact O-CG1 3.35Å; D146-I150 PolarHBondContact O-N 3.13Å; Q147-I150 WeakPolarHBondContact O-CA 3.28Å; Q147-I150 WeakPolarHBondContact O-CB 3.3Å; Q147-I150 PolarHBondContact O-N 2.82Å; Q148-I150 VanDerWaalsContact C-N 3.26Å; Q148-I150 PolarHBondContact O-N 2.84Å; I150-I152 VanDerWaalsContact C-N 3.31Å; I150-I152 PolarHBondContact O-N 3.48Å; I150-A153 WeakPolarHBondContact O-CB 3.47Å; I150-A153 PolarHBondContact O-N 3.43Å; I150-K154 WeakPolarHBondContact O-CB 3.41Å; I150-K154 PolarHBondContact O-N 2.91Å
151E92.5Very high92.1Very high8 Ų837.2 Ų37.24%0.03719%0.19CC..Hα-helixtrans-62.2-40173.1-82-66.1158.900111.4I84 L88 N89 L90 Q147 Q148 A153 K154 V155I84-E151 HydrophobicContact CG2-CB 4.39Å; L88-E151 HydrophobicContact CD2-CG 4.11Å; N89-E151 PolarHBondContact N-OE1 2.96Å; L90-E151 HydrophobicContact CD1-CG 4.15Å; L90-E151 HydrophobicContact CD2-CG 3.95Å; L90-E151 WeakPolarHBondContact CD2-OE1 3.26Å; L90-E151 HydrophobicContact CG-CG 3.84Å; L90-E151 VanDerWaalsContact CG-OE1 3.26Å; L90-E151 WeakPolarHBondContact CG-OE1 3.37Å; L90-E151 PolarHBondContact N-OE1 3.5Å; Q147-E151 PolarHBondContact O-N 2.89Å; Q147-E151 VanDerWaalsContact O-N 3.11Å; Q148-E151 PolarHBondContact O-N 3.4Å; E151-A153 PolarHBondContact O-N 3.14Å; E151-K154 WeakPolarHBondContact O-CB 3.38Å; E151-K154 PolarHBondContact O-N 2.85Å; E151-K154 IonicContact OE1-NZ 3.98Å; E151-K154 PolarHBondContact OE1-NZ 2.96Å; E151-K154 IonicContact OE2-NZ 3.12Å; E151-V155 PolarHBondContact O-N 3.26Å
152I92.2Very high92.2Very high1 Ų132.3 Ų32.31%0.00516%0.164CC..Hα-helixtrans-59-49.1171.1-65154.4000110.1I84 L129 Q148 M149 I150 K154 V155 L156 L180I84-I152 HydrophobicContact CD1-CB 4.16Å; I84-I152 HydrophobicContact CD1-CG1 3.7Å; I84-I152 HydrophobicContact CD1-CG2 4.36Å; I84-I152 HydrophobicContact CG2-CG1 4.47Å; L129-I152 HydrophobicContact CD1-CG2 4.33Å; L129-I152 HydrophobicContact CD2-CG2 3.79Å; Q148-I152 PolarHBondContact O-N 2.87Å; M149-I152 PolarHBondContact O-N 3.45Å; M149-I152 HydrophobicContact SD-CD1 3.61Å; I150-I152 VanDerWaalsContact C-N 3.31Å; I150-I152 PolarHBondContact O-N 3.48Å; I152-K154 VanDerWaalsContact C-N 3.3Å; I152-K154 PolarHBondContact O-N 3.17Å; I152-V155 PolarHBondContact O-N 3.14Å; I152-V155 VanDerWaalsContact O-N 3.17Å; I152-L156 HydrophobicContact CG2-CD1 3.97Å; I152-L156 HydrophobicContact CG2-CG 4.27Å; I152-L156 VanDerWaalsContact O-CG 3.26Å; I152-L156 WeakPolarHBondContact O-CG 3.34Å; I152-L156 PolarHBondContact O-N 2.92Å; I152-L180 HydrophobicContact CD1-CD1 3.82Å; I152-L180 HydrophobicContact CD1-CD2 4.35Å; I152-L180 HydrophobicContact CG1-CD1 4.3Å; I152-L180 HydrophobicContact CG2-CD1 4.28Å
153A93.6Very high92.3Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-57-42.8178.100000112.5I100 L125 L129 M149 I150 E151 V155 L156 S157I100-A153 HydrophobicContact CD1-CB 3.85Å; I100-A153 HydrophobicContact CG1-CB 4.32Å; L125-A153 HydrophobicContact CB-CB 4.26Å; L129-A153 HydrophobicContact CD1-CB 3.53Å; M149-A153 PolarHBondContact O-N 3.05Å; I150-A153 WeakPolarHBondContact O-CB 3.47Å; I150-A153 PolarHBondContact O-N 3.43Å; E151-A153 PolarHBondContact O-N 3.14Å; A153-V155 PolarHBondContact O-N 3.43Å; A153-L156 PolarHBondContact O-N 2.96Å; A153-S157 PolarHBondContact O-N 3.47Å
154K93Very high92.4Very high40 Ų4028.9 Ų28.917%0.17414%0.141CC..Hα-helixtrans-59-46.3176.5179-179.2174.5-1700111.1N89 I100 I150 E151 I152 S157 F158N89-K154 PolarHBondContact O-NZ 3.12Å; I100-K154 HydrophobicContact CG1-CB 4.38Å; I150-K154 WeakPolarHBondContact O-CB 3.41Å; I150-K154 PolarHBondContact O-N 2.91Å; E151-K154 WeakPolarHBondContact O-CB 3.38Å; E151-K154 PolarHBondContact O-N 2.85Å; E151-K154 IonicContact OE1-NZ 3.98Å; E151-K154 PolarHBondContact OE1-NZ 2.96Å; E151-K154 IonicContact OE2-NZ 3.12Å; I152-K154 VanDerWaalsContact C-N 3.3Å; I152-K154 PolarHBondContact O-N 3.17Å; K154-S157 WeakPolarHBondContact O-CB 3.48Å; K154-S157 PolarHBondContact O-N 3.21Å; K154-S157 PolarHBondContact O-OG 3.18Å; K154-F158 VanDerWaalsContact O-CD2 3.22Å; K154-F158 WeakPolarHBondContact O-CD2 3.39Å
155V90.2Very high92.6Very high3 Ų324.1 Ų24.12%0.01812%0.117CC..Hα-helixtrans-68-37.3176.8174.30000112.4I83 I84 E151 I152 A153 S157 F158 I163I83-V155 VanDerWaalsContact O-CG2 3.26Å; I83-V155 WeakPolarHBondContact O-CG2 3.49Å; I84-V155 HydrophobicContact CD1-CB 4.28Å; I84-V155 HydrophobicContact CD1-CG2 4.46Å; I84-V155 HydrophobicContact CG1-CB 3.84Å; I84-V155 HydrophobicContact CG1-CG1 4.16Å; I84-V155 HydrophobicContact CG1-CG2 3.52Å; E151-V155 PolarHBondContact O-N 3.26Å; I152-V155 PolarHBondContact O-N 3.14Å; I152-V155 VanDerWaalsContact O-N 3.17Å; A153-V155 PolarHBondContact O-N 3.43Å; V155-S157 PolarHBondContact O-N 3.48Å; V155-F158 WeakPolarHBondContact O-CB 3.34Å; V155-F158 PolarHBondContact O-N 3.11Å; V155-F158 VanDerWaalsContact O-N 3.08Å; V155-I163 HydrophobicContact CG1-CG1 4.36Å; V155-I163 HydrophobicContact CG1-CG2 3.94Å
156L90.1Very high92.7Very high26 Ų2624.5 Ų24.514%0.13612%0.118CC..Hα-helixtrans-63.7-27.4175.2-67.8174.6000113.3L125 L129 I152 A153 F158 V183 L187L125-L156 HydrophobicContact CD2-CB 4.05Å; L129-L156 HydrophobicContact CD1-CD1 4.22Å; L129-L156 HydrophobicContact CD2-CD1 4.15Å; L129-L156 HydrophobicContact CG-CD1 4.26Å; I152-L156 HydrophobicContact CG2-CD1 3.97Å; I152-L156 HydrophobicContact CG2-CG 4.27Å; I152-L156 VanDerWaalsContact O-CG 3.26Å; I152-L156 WeakPolarHBondContact O-CG 3.34Å; I152-L156 PolarHBondContact O-N 2.92Å; A153-L156 PolarHBondContact O-N 2.96Å; L156-F158 PolarHBondContact O-N 3.36Å; L156-V183 HydrophobicContact CD1-CG1 3.83Å; L156-V183 HydrophobicContact CD2-CG1 3.81Å; L156-V183 HydrophobicContact CG-CG1 4.44Å; L156-L187 HydrophobicContact CD2-CD1 3.73Å; L156-L187 HydrophobicContact CD2-CD2 3.74Å; L156-L187 HydrophobicContact CD2-CG 4.15Å
157S92.2Very high92.6Very high27 Ų2723.7 Ų23.719%0.18911%0.112CC..THydrogen-bonded Turntrans-69.2-12.7175.180.80000113.5R104 A153 K154 V155R104-S157 PolarHBondContact NH1-O 2.96Å; R104-S157 PolarHBondContact NH2-OG 3.21Å; A153-S157 PolarHBondContact O-N 3.47Å; K154-S157 WeakPolarHBondContact O-CB 3.48Å; K154-S157 PolarHBondContact O-N 3.21Å; K154-S157 PolarHBondContact O-OG 3.18Å; V155-S157 PolarHBondContact O-N 3.48Å
158F88.2Confident92.4Very high32 Ų3222.4 Ų22.414%0.1411%0.106CC..SBendtrans-89.8143.9171-67.7-94000110.9Q77 R104 K154 V155 L156 S160 R192Q77-F158 HydrophobicContact CB-CE1 4.38Å; R104-F158 VanDerWaalsContact CZ-CE2 3.4Å; R104-F158 VanDerWaalsContact NE-CE1 3.3Å; R104-F158 VanDerWaalsContact NE-CZ 3.3Å; R104-F158 VanDerWaalsContact NH1-CE1 3.3Å; R104-F158 VanDerWaalsContact NH1-CG 3.32Å; R104-F158 VanDerWaalsContact NH2-CZ 3.26Å; K154-F158 VanDerWaalsContact O-CD2 3.22Å; K154-F158 WeakPolarHBondContact O-CD2 3.39Å; V155-F158 WeakPolarHBondContact O-CB 3.34Å; V155-F158 PolarHBondContact O-N 3.11Å; V155-F158 VanDerWaalsContact O-N 3.08Å; L156-F158 PolarHBondContact O-N 3.36Å; F158-S160 WeakPolarHBondContact CB-OG 3.36Å; F158-S160 PolarHBondContact O-N 3.05Å; F158-R192 PolarHBondContact O-NH1 3.4Å
159E86.3Confident92.3Very high183 Ų18322.1 Ų22.186%0.85511%0.105SC*.  trans-7560.1168.6-68-166.8165.800111.5
160S92.6Very high92Very high2 Ų225 Ų251%0.01412%0.121CC..  trans-80128.1-178.1-56.20000111.3G80 G82 F158 R192G80-S160 CarbonylContact O-C 3.59Å; G80-S160 WeakPolarHBondContact O-CA 3.49Å; G82-S160 PolarHBondContact N-OG 3.49Å; F158-S160 WeakPolarHBondContact CB-OG 3.36Å; F158-S160 PolarHBondContact O-N 3.05Å; S160-R192 VanDerWaalsContact O-CD 3.29Å; S160-R192 WeakPolarHBondContact O-CD 3.29Å; S160-R192 PolarHBondContact O-NE 3Å; S160-R192 PolarHBondContact O-NH1 3.41Å; S160-R192 VanDerWaalsContact O-NH1 3.1Å
161K95.7Very high91.5Very high108 Ų10827.2 Ų27.247%0.4714%0.139SC..SBendtrans-80.8-31.9169.3-71.9-173.6180-174.80112.1W63 L64 G80 R192 G193W63-K161 HydrophobicContact CH2-CB 3.87Å; W63-K161 HydrophobicContact CZ2-CB 4.26Å; W63-K161 HydrophobicContact CZ2-CD 4.46Å; L64-K161 HydrophobicContact CD1-CD 4.36Å; L64-K161 HydrophobicContact CD2-CD 4.25Å; G80-K161 PolarHBondContact O-N 2.87Å; K161-R192 WeakPolarHBondContact O-CA 3.46Å; K161-G193 PolarHBondContact O-N 3.27Å
162V96.8Very high91.3Very high0 Ų027.8 Ų27.80%014%0.142CC..EExtended strand (participates in β ladder)trans-120.4132.9172.2170.90000109.5L4 L5 V27 W63 G80 I81 G82 I164 G193L4-V162 HydrophobicContact CB-CG2 3.85Å; L4-V162 HydrophobicContact CD1-CG2 3.98Å; L5-V162 HydrophobicContact CB-CG2 4.33Å; L5-V162 HydrophobicContact CD2-CG1 4.33Å; V27-V162 HydrophobicContact CB-CG2 4.49Å; V27-V162 HydrophobicContact CG1-CG1 4.16Å; V27-V162 HydrophobicContact CG1-CG2 4.06Å; W63-V162 HydrophobicContact CH2-CB 4.22Å; W63-V162 HydrophobicContact CH2-CG2 3.94Å; W63-V162 HydrophobicContact CZ3-CB 4.14Å; W63-V162 HydrophobicContact CZ3-CG2 3.62Å; G80-V162 PolarHBondContact O-N 3Å; G80-V162 VanDerWaalsContact O-N 3.15Å; I81-V162 WeakPolarHBondContact CA-O 3.3Å; I81-V162 HydrophobicContact CG1-CB 4.49Å; I81-V162 HydrophobicContact CG2-CG1 4.38Å; G82-V162 PolarHBondContact N-O 2.64Å; V162-I164 HydrophobicContact CG1-CG1 4.35Å; V162-G193 CarbonylContact C-O 2.96Å; V162-G193 VanDerWaalsContact CA-O 3.26Å; V162-G193 WeakPolarHBondContact CA-O 3.49Å
163I96Very high91.1Very high1 Ų131.4 Ų31.41%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-121.6126.4175.6-63.5164.6000108.5G82 V155 M165 L187 G193 I194 V195G82-I163 CarbonylContact O-C 3.55Å; G82-I163 WeakPolarHBondContact O-CA 3.1Å; V155-I163 HydrophobicContact CG1-CG1 4.36Å; V155-I163 HydrophobicContact CG1-CG2 3.94Å; I163-M165 HydrophobicContact CG2-CE 3.64Å; I163-M165 HydrophobicContact CG2-CG 4.05Å; I163-L187 HydrophobicContact CD1-CD1 3.61Å; I163-L187 HydrophobicContact CD1-CD2 3.99Å; I163-L187 HydrophobicContact CD1-CG 4.35Å; I163-G193 PolarHBondContact N-O 2.92Å; I163-I194 CarbonylContact O-C 3.56Å; I163-I194 VanDerWaalsContact O-CA 3.28Å; I163-I194 WeakPolarHBondContact O-CA 3.33Å; I163-V195 PolarHBondContact O-N 3.07Å
164I95.3Very high90.9Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-105.1129.5176.5-60.5166.9000107.8M47 L50 I81 G82 I83 I84 V162 V195 I197M47-I164 HydrophobicContact CG-CG2 4.17Å; M47-I164 HydrophobicContact SD-CB 4.49Å; M47-I164 HydrophobicContact SD-CD1 3.95Å; M47-I164 HydrophobicContact SD-CG1 4.35Å; M47-I164 HydrophobicContact SD-CG2 3.39Å; M47-I164 WeakPolarHBondContact SD-CG2 3.24Å; L50-I164 HydrophobicContact CD1-CD1 3.66Å; L50-I164 HydrophobicContact CD2-CD1 3.45Å; L50-I164 VanDerWaalsContact CD2-CD1 3.45Å; L50-I164 HydrophobicContact CG-CD1 4.19Å; I81-I164 HydrophobicContact CG2-CD1 3.96Å; G82-I164 PolarHBondContact O-N 3.28Å; I83-I164 CarbonylContact C-O 3.56Å; I83-I164 WeakPolarHBondContact CA-O 3.23Å; I83-I164 HydrophobicContact CB-CB 4.31Å; I83-I164 HydrophobicContact CD1-CB 4.39Å; I83-I164 HydrophobicContact CD1-CG2 4.05Å; I83-I164 HydrophobicContact CG1-CB 4.03Å; I83-I164 HydrophobicContact CG1-CG2 4.01Å; I84-I164 PolarHBondContact N-O 2.91Å; V162-I164 HydrophobicContact CG1-CG1 4.35Å; I164-V195 CarbonylContact C-O 3.59Å; I164-V195 WeakPolarHBondContact CA-O 3.42Å; I164-V195 HydrophobicContact CB-CB 4.44Å; I164-V195 HydrophobicContact CG1-CB 4.07Å; I164-V195 HydrophobicContact CG1-CG2 4.2Å; I164-V195 HydrophobicContact CG2-CB 4.38Å; I164-I197 HydrophobicContact CG2-CD1 4.27Å
165M94.3Very high90.6Very high1 Ų140.4 Ų40.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-121.4110178.3-48.8-170.6171.900108.9I84 I163 P168 L180 I184 L187 I194 V195 Y196 I197I84-M165 HydrophobicContact CD1-CE 4.28Å; I84-M165 HydrophobicContact CD1-CG 4.02Å; I84-M165 HydrophobicContact CD1-SD 4.43Å; I163-M165 HydrophobicContact CG2-CE 3.64Å; I163-M165 HydrophobicContact CG2-CG 4.05Å; M165-P168 HydrophobicContact CB-CB 4.2Å; M165-P168 HydrophobicContact CB-CG 3.86Å; M165-L180 HydrophobicContact CE-CD1 4.49Å; M165-L180 HydrophobicContact SD-CD1 4.16Å; M165-I184 HydrophobicContact CE-CD1 4.46Å; M165-I184 HydrophobicContact CE-CG1 3.92Å; M165-I184 HydrophobicContact SD-CD1 3.81Å; M165-I184 HydrophobicContact SD-CG1 3.94Å; M165-L187 HydrophobicContact CE-CD1 4.33Å; M165-I194 HydrophobicContact CE-CG2 4.39Å; M165-I194 HydrophobicContact CG-CG2 4.47Å; M165-I194 HydrophobicContact SD-CG2 4.42Å; M165-V195 PolarHBondContact N-O 2.67Å; M165-Y196 HydrophobicContact CB-CD2 4.24Å; M165-Y196 HydrophobicContact SD-CD2 4.26Å; M165-I197 PolarHBondContact O-N 2.98Å
166D91.3Very high90.6Very high13 Ų1341.8 Ų41.87%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-95.6102.7-179-1566.5000110.9I84 Q86 I197I84-D166 WeakPolarHBondContact O-CB 3.29Å; I84-D166 PolarHBondContact O-N 3.43Å; Q86-D166 PolarHBondContact N-O 3.07Å; D166-I197 HydrophobicContact CB-CD1 4.06Å; D166-I197 WeakPolarHBondContact OD1-CD1 3.42Å; D166-I197 WeakPolarHBondContact OD1-CG2 3.46Å
167E89.5Confident90.7Very high18 Ų1841.2 Ų41.28%0.08422%0.222CC..SBendtrans46.854.7-178.2-55.4-163.9152.100113.8Q86 T169 I197 H199Q86-E167 HydrophobicContact CG-CB 4.31Å; Q86-E167 PolarHBondContact NE2-OE2 2.88Å; E167-T169 PolarHBondContact O-N 3.1Å; E167-T169 VanDerWaalsContact O-N 3.14Å; E167-I197 VanDerWaalsContact CA-O 3.27Å; E167-I197 WeakPolarHBondContact CA-O 3.46Å; E167-I197 HydrophobicContact CG-CG2 4.35Å; E167-I197 PolarHBondContact N-O 2.9Å; E167-H199 IonicContact OE1-CE1 2.61Å; E167-H199 IonicContact OE1-ND1 2.72Å; E167-H199 PolarHBondContact OE1-ND1 3.29Å; E167-H199 IonicContact OE2-ND1 3.15Å
168P90.9Very high90.7Very high0 Ų045.8 Ų45.80%024%0.24CC..THydrogen-bonded Turntrans-71.9-13.2-165.731.4-38.3000114.8Q148 M165 L172 L180 Y196Q148-P168 WeakPolarHBondContact CG-O 3.39Å; M165-P168 HydrophobicContact CB-CB 4.2Å; M165-P168 HydrophobicContact CB-CG 3.86Å; P168-L172 WeakPolarHBondContact O-CD1 3.48Å; P168-L180 HydrophobicContact CB-CD2 3.85Å; P168-L180 HydrophobicContact CG-CD2 3.9Å; P168-Y196 HydrophobicContact CG-CD2 4.16Å; P168-Y196 HydrophobicContact CG-CE2 3.39Å
169T91Very high90.9Very high1 Ų144.6 Ų44.61%0.00624%0.236CC..THydrogen-bonded Turntrans-101.3-4.5-173.353.20000114.2E167 A171 L172 T177 L180 F181 Y196 E203E167-T169 PolarHBondContact O-N 3.1Å; E167-T169 VanDerWaalsContact O-N 3.14Å; T169-A171 PolarHBondContact O-N 2.94Å; T169-A171 VanDerWaalsContact O-N 3.16Å; T169-L172 HydrophobicContact CG2-CD1 4.42Å; T169-L172 PolarHBondContact O-N 2.79Å; T169-T177 HydrophobicContact CG2-CG2 3.76Å; T169-L180 HydrophobicContact CG2-CD2 3.93Å; T169-F181 HydrophobicContact CG2-CE1 4.41Å; T169-Y196 VanDerWaalsContact CG2-OH 3.27Å; T169-Y196 WeakPolarHBondContact CG2-OH 3.46Å; T169-E203 VanDerWaalsContact CB-OE1 3.32Å; T169-E203 WeakPolarHBondContact CB-OE1 3.24Å; T169-E203 VanDerWaalsContact OG1-CD 3.25Å; T169-E203 PolarHBondContact OG1-OE1 2.99Å; T169-E203 PolarHBondContact OG1-OE2 3.11Å; T169-E203 VanDerWaalsContact OG1-OE2 3.06Å
170D85.2Confident91.2Very high62 Ų6235.9 Ų35.933%0.33220%0.195SC..THydrogen-bonded Turntrans-59.6-32.6-173.6-84-13000113.8Q86 H199 R200Q86-D170 PolarHBondContact NE2-OD2 3.36Å; Q86-D170 VanDerWaalsContact NE2-OD2 3.08Å; D170-H199 IonicContact OD1-CE1 3.53Å; D170-H199 PolarHBondContact OD1-CE1 2.81Å; D170-R200 IonicContact OD1-NE 2.65Å; D170-R200 IonicContact OD1-NH2 2.77Å
171A84Confident91.4Very high45 Ų4536.1 Ų36.137%0.37220%0.196SC..THydrogen-bonded Turntrans-102.25178.600000114.1I144 G145 T169I144-A171 HydrophobicContact CG2-CB 3.76Å; G145-A171 VanDerWaalsContact CA-O 3.32Å; G145-A171 WeakPolarHBondContact CA-O 3.4Å; T169-A171 PolarHBondContact O-N 2.94Å; T169-A171 VanDerWaalsContact O-N 3.16Å
172L88.4Confident91.3Very high20 Ų2037.5 Ų37.511%0.10520%0.198CC..  trans-98.8145.1-173.1-61-172.7000111.8G145 Q148 M149 P168 T169 E176 L180G145-L172 WeakPolarHBondContact O-CD2 3.33Å; Q148-L172 HydrophobicContact CB-CD2 3.92Å; Q148-L172 HydrophobicContact CG-CD2 4.09Å; Q148-L172 HydrophobicContact CG-CG 4.43Å; M149-L172 HydrophobicContact CG-CD2 4.07Å; M149-L172 HydrophobicContact SD-CD1 4.07Å; M149-L172 HydrophobicContact SD-CD2 4.17Å; P168-L172 WeakPolarHBondContact O-CD1 3.48Å; T169-L172 HydrophobicContact CG2-CD1 4.42Å; T169-L172 PolarHBondContact O-N 2.79Å; L172-E176 HydrophobicContact CB-CB 4Å; L172-E176 HydrophobicContact CD1-CB 4.38Å; L172-E176 HydrophobicContact CD2-CB 4.05Å; L172-E176 HydrophobicContact CG-CB 4.37Å; L172-L180 HydrophobicContact CD1-CD2 4.12Å
173T89.2Confident91.1Very high78 Ų7837.7 Ų37.748%0.47920%0.199SC..  trans-73166.7164.363.40000111.1T175 E176 T177T173-T175 VanDerWaalsContact C-N 3.26Å; T173-T175 PolarHBondContact O-N 2.78Å; T173-E176 WeakPolarHBondContact CB-OE2 3.26Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.31Å; T173-E176 PolarHBondContact N-OE2 2.69Å; T173-E176 PolarHBondContact O-N 3.25Å; T173-E176 VanDerWaalsContact OG1-CD 3.22Å; T173-E176 WeakPolarHBondContact OG1-CG 3.45Å; T173-E176 PolarHBondContact OG1-N 3.13Å; T173-E176 PolarHBondContact OG1-OE2 2.86Å; T173-T177 WeakPolarHBondContact O-CB 3.14Å; T173-T177 PolarHBondContact O-N 2.74Å; T173-T177 PolarHBondContact O-OG1 2.97Å
174D87.7Confident91.1Very high138 Ų13837.7 Ų37.774%0.73820%0.199SC*.Hα-helixtrans-57.5-39.3176.5-67.3-25.6000112.2T177 E178D174-T177 PolarHBondContact O-N 2.6Å; D174-E178 WeakPolarHBondContact O-CG 3.46Å; D174-E178 PolarHBondContact O-N 2.79Å
175T88Confident91.2Very high91 Ų9143.5 Ų43.556%0.55822%0.221SC*.Hα-helixtrans-68.8-37.3-179.8-56.10000112.5T173 S179T173-T175 VanDerWaalsContact C-N 3.26Å; T173-T175 PolarHBondContact O-N 2.78Å; T175-S179 PolarHBondContact O-N 2.86Å; T175-S179 PolarHBondContact O-OG 2.94Å
176E89.6Confident91.2Very high31 Ų3146.9 Ų46.915%0.14524%0.237CC..Hα-helixtrans-71-39.4175-70158.7153.600110.8M149 L172 T173 E178 S179 L180M149-E176 HydrophobicContact SD-CB 4.48Å; L172-E176 HydrophobicContact CB-CB 4Å; L172-E176 HydrophobicContact CD1-CB 4.38Å; L172-E176 HydrophobicContact CD2-CB 4.05Å; L172-E176 HydrophobicContact CG-CB 4.37Å; T173-E176 WeakPolarHBondContact CB-OE2 3.26Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.31Å; T173-E176 PolarHBondContact N-OE2 2.69Å; T173-E176 PolarHBondContact O-N 3.25Å; T173-E176 VanDerWaalsContact OG1-CD 3.22Å; T173-E176 WeakPolarHBondContact OG1-CG 3.45Å; T173-E176 PolarHBondContact OG1-N 3.13Å; T173-E176 PolarHBondContact OG1-OE2 2.86Å; E176-E178 PolarHBondContact O-N 2.78Å; E176-S179 WeakPolarHBondContact O-CA 3.39Å; E176-S179 WeakPolarHBondContact O-CB 3.07Å; E176-S179 PolarHBondContact O-N 2.84Å; E176-S179 VanDerWaalsContact O-N 3.1Å; E176-L180 PolarHBondContact O-N 3.47Å
177T92.7Very high91.3Very high15 Ų1546.6 Ų46.69%0.09224%0.235CC..Hα-helixtrans-60-45.5174.8-60.30000111.6T169 T173 D174 S179 L180 F181T169-T177 HydrophobicContact CG2-CG2 3.76Å; T173-T177 WeakPolarHBondContact O-CB 3.14Å; T173-T177 PolarHBondContact O-N 2.74Å; T173-T177 PolarHBondContact O-OG1 2.97Å; D174-T177 PolarHBondContact O-N 2.6Å; T177-S179 VanDerWaalsContact C-N 3.25Å; T177-S179 PolarHBondContact O-N 2.88Å; T177-L180 WeakPolarHBondContact O-CB 3.23Å; T177-L180 PolarHBondContact O-N 2.8Å; T177-F181 HydrophobicContact CG2-CD1 4.26Å; T177-F181 HydrophobicContact CG2-CD2 4.36Å; T177-F181 HydrophobicContact CG2-CE1 3.78Å; T177-F181 HydrophobicContact CG2-CE2 3.89Å; T177-F181 HydrophobicContact CG2-CZ 3.57Å; T177-F181 WeakPolarHBondContact O-CD1 3.29Å; T177-F181 WeakPolarHBondContact O-CG 3.48Å; T177-F181 PolarHBondContact O-N 3Å
178E92.8Very high91.6Very high122 Ų12248.6 Ų48.657%0.5724%0.244SC*.Hα-helixtrans-59.8-36.5173.8-77-177.5178.300112.7D174 E176 F181 R182D174-E178 WeakPolarHBondContact O-CG 3.46Å; D174-E178 PolarHBondContact O-N 2.79Å; E176-E178 PolarHBondContact O-N 2.78Å; E178-F181 PolarHBondContact O-N 3.37Å; E178-R182 PolarHBondContact O-N 3.35Å
179S91.4Very high91.8Very high8 Ų853.4 Ų53.46%0.05628%0.278CS..Hα-helixtrans-68.6-42.7177.4-59.60000111T175 E176 T177 R182 V183T175-S179 PolarHBondContact O-N 2.86Å; T175-S179 PolarHBondContact O-OG 2.94Å; E176-S179 WeakPolarHBondContact O-CA 3.39Å; E176-S179 WeakPolarHBondContact O-CB 3.07Å; E176-S179 PolarHBondContact O-N 2.84Å; E176-S179 VanDerWaalsContact O-N 3.1Å; T177-S179 VanDerWaalsContact C-N 3.25Å; T177-S179 PolarHBondContact O-N 2.88Å; S179-R182 WeakPolarHBondContact O-CB 3.42Å; S179-R182 PolarHBondContact O-N 3.01Å; S179-V183 PolarHBondContact O-N 2.89Å
180L93.3Very high92Very high0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-59.2-47.3171.617360.2000111.4I152 M165 P168 T169 L172 E176 T177 R182 V183 I184I152-L180 HydrophobicContact CD1-CD1 3.82Å; I152-L180 HydrophobicContact CD1-CD2 4.35Å; I152-L180 HydrophobicContact CG1-CD1 4.3Å; I152-L180 HydrophobicContact CG2-CD1 4.28Å; M165-L180 HydrophobicContact CE-CD1 4.49Å; M165-L180 HydrophobicContact SD-CD1 4.16Å; P168-L180 HydrophobicContact CB-CD2 3.85Å; P168-L180 HydrophobicContact CG-CD2 3.9Å; T169-L180 HydrophobicContact CG2-CD2 3.93Å; L172-L180 HydrophobicContact CD1-CD2 4.12Å; E176-L180 PolarHBondContact O-N 3.47Å; T177-L180 WeakPolarHBondContact O-CB 3.23Å; T177-L180 PolarHBondContact O-N 2.8Å; L180-R182 VanDerWaalsContact C-N 3.27Å; L180-R182 PolarHBondContact O-N 3.39Å; L180-V183 WeakPolarHBondContact O-CB 3.32Å; L180-V183 PolarHBondContact O-N 3.11Å; L180-I184 HydrophobicContact CD1-CD1 4.09Å; L180-I184 HydrophobicContact CD1-CG1 4.17Å; L180-I184 HydrophobicContact CG-CD1 3.95Å; L180-I184 HydrophobicContact CG-CG1 4.44Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 3.01Å
181F95.5Very high92.4Very high6 Ų656.8 Ų56.83%0.02630%0.3CS..Hα-helixtrans-61.3-36.7179.8-72.30.8000112.3T169 T177 E178 V183 I184 R185 E203 E206 I207T169-F181 HydrophobicContact CG2-CE1 4.41Å; T177-F181 HydrophobicContact CG2-CD1 4.26Å; T177-F181 HydrophobicContact CG2-CD2 4.36Å; T177-F181 HydrophobicContact CG2-CE1 3.78Å; T177-F181 HydrophobicContact CG2-CE2 3.89Å; T177-F181 HydrophobicContact CG2-CZ 3.57Å; T177-F181 WeakPolarHBondContact O-CD1 3.29Å; T177-F181 WeakPolarHBondContact O-CG 3.48Å; T177-F181 PolarHBondContact O-N 3Å; E178-F181 PolarHBondContact O-N 3.37Å; F181-V183 VanDerWaalsContact C-N 3.35Å; F181-I184 HydrophobicContact CD1-CD1 4.28Å; F181-I184 PolarHBondContact O-N 2.96Å; F181-R185 VanDerWaalsContact O-CG 3.27Å; F181-R185 WeakPolarHBondContact O-CG 3.15Å; F181-R185 PolarHBondContact O-N 3.32Å; F181-E203 HydrophobicContact CZ-CB 3.86Å; F181-E203 HydrophobicContact CZ-CG 3.86Å; F181-E206 WeakPolarHBondContact CD2-OE1 3.48Å; F181-E206 HydrophobicContact CE2-CG 4.43Å; F181-I207 HydrophobicContact CB-CG2 4.04Å; F181-I207 HydrophobicContact CD1-CG2 3.75Å; F181-I207 HydrophobicContact CD2-CG2 3.64Å; F181-I207 HydrophobicContact CE1-CD1 4.31Å; F181-I207 HydrophobicContact CE1-CG1 4.36Å; F181-I207 HydrophobicContact CE1-CG2 4.02Å; F181-I207 HydrophobicContact CE2-CG2 3.92Å; F181-I207 HydrophobicContact CG-CG2 3.54Å; F181-I207 HydrophobicContact CZ-CG2 4.1Å
182R94.4Very high93Very high137 Ų13756.9 Ų56.952%0.51729%0.291SS..Hα-helixtrans-60.7-44.8173.2-166.8-172.7-51.2169.87.1111.7E178 S179 L180 R185 E186E178-R182 PolarHBondContact O-N 3.35Å; S179-R182 WeakPolarHBondContact O-CB 3.42Å; S179-R182 PolarHBondContact O-N 3.01Å; L180-R182 VanDerWaalsContact C-N 3.27Å; L180-R182 PolarHBondContact O-N 3.39Å; R182-R185 PolarHBondContact O-N 2.92Å; R182-E186 PolarHBondContact O-N 3.5Å
183V93.3Very high93.4Very high4 Ų455.9 Ų55.92%0.02429%0.286CS..Hα-helixtrans-65.7-42.4177.5171.90000111.4L129 L156 S179 L180 F181 R185 E186 L187L129-V183 HydrophobicContact CD2-CG2 3.78Å; L156-V183 HydrophobicContact CD1-CG1 3.83Å; L156-V183 HydrophobicContact CD2-CG1 3.81Å; L156-V183 HydrophobicContact CG-CG1 4.44Å; S179-V183 PolarHBondContact O-N 2.89Å; L180-V183 WeakPolarHBondContact O-CB 3.32Å; L180-V183 PolarHBondContact O-N 3.11Å; F181-V183 VanDerWaalsContact C-N 3.35Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 3.05Å; V183-E186 WeakPolarHBondContact O-CB 3.14Å; V183-E186 PolarHBondContact O-N 2.74Å; V183-E186 VanDerWaalsContact O-N 3.11Å; V183-L187 HydrophobicContact CG1-CD1 3.91Å; V183-L187 HydrophobicContact CG1-CG 4.17Å; V183-L187 VanDerWaalsContact O-CG 3.3Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 3.14Å
184I95.8Very high93.8Very high1 Ų152.2 Ų52.21%0.00526%0.263CS..Hα-helixtrans-55.9-46.4175-70.6173000110.4V32 M165 L180 F181 E186 L187 K188 I194 Y196 I207V32-I184 HydrophobicContact CG2-CG2 3.79Å; M165-I184 HydrophobicContact CE-CD1 4.46Å; M165-I184 HydrophobicContact CE-CG1 3.92Å; M165-I184 HydrophobicContact SD-CD1 3.81Å; M165-I184 HydrophobicContact SD-CG1 3.94Å; L180-I184 HydrophobicContact CD1-CD1 4.09Å; L180-I184 HydrophobicContact CD1-CG1 4.17Å; L180-I184 HydrophobicContact CG-CD1 3.95Å; L180-I184 HydrophobicContact CG-CG1 4.44Å; L180-I184 WeakPolarHBondContact O-CG1 3.36Å; L180-I184 PolarHBondContact O-N 3.01Å; F181-I184 HydrophobicContact CD1-CD1 4.28Å; F181-I184 PolarHBondContact O-N 2.96Å; I184-E186 PolarHBondContact O-N 2.75Å; I184-L187 PolarHBondContact O-N 3.25Å; I184-K188 VanDerWaalsContact O-CB 3.29Å; I184-K188 WeakPolarHBondContact O-CB 3.27Å; I184-K188 PolarHBondContact O-N 3.07Å; I184-I194 HydrophobicContact CB-CD1 4.38Å; I184-I194 HydrophobicContact CG2-CD1 3.84Å; I184-Y196 HydrophobicContact CD1-CD2 3.96Å; I184-Y196 HydrophobicContact CD1-CE2 3.8Å; I184-I207 HydrophobicContact CD1-CD1 3.85Å; I184-I207 HydrophobicContact CG2-CD1 4.41Å
185R96.2Very high94.3Very high123 Ų12345.6 Ų45.646%0.46423%0.228SC..Hα-helixtrans-62.6-39.3176.5-68168.2-174.2143.84.6112.2F181 R182 V183 S189 E206F181-R185 VanDerWaalsContact O-CG 3.27Å; F181-R185 WeakPolarHBondContact O-CG 3.15Å; F181-R185 PolarHBondContact O-N 3.32Å; R182-R185 PolarHBondContact O-N 2.92Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-R185 PolarHBondContact O-N 3.05Å; R185-S189 PolarHBondContact O-N 3.36Å; R185-E206 IonicContact CZ-OE1 3.62Å; R185-E206 IonicContact NH2-OE1 3.89Å; R185-E206 PolarHBondContact NH2-OE1 3.19Å
186E94.1Very high94.7Very high71 Ų7141.3 Ų41.333%0.33220%0.202SC..Hα-helixtrans-63.1-51.9175.3-172.6-170.9150.800111K128 R182 V183 I184 K188 S189 Q190K128-E186 IonicContact NZ-OE1 2.6Å; K128-E186 PolarHBondContact NZ-OE1 3.08Å; R182-E186 PolarHBondContact O-N 3.5Å; V183-E186 WeakPolarHBondContact O-CB 3.14Å; V183-E186 PolarHBondContact O-N 2.74Å; V183-E186 VanDerWaalsContact O-N 3.11Å; I184-E186 PolarHBondContact O-N 2.75Å; E186-K188 VanDerWaalsContact C-N 3.28Å; E186-K188 PolarHBondContact O-N 3.12Å; E186-S189 PolarHBondContact O-N 3.1Å; E186-S189 PolarHBondContact O-OG 3.02Å; E186-Q190 WeakPolarHBondContact O-CG 3.43Å; E186-Q190 PolarHBondContact O-N 3.15Å; E186-Q190 VanDerWaalsContact O-N 3.12Å; E186-Q190 PolarHBondContact OE1-NE2 3.16Å; E186-Q190 VanDerWaalsContact OE1-NE2 3.14Å
187L93.9Very high95Very high7 Ų739.8 Ų39.84%0.03720%0.195CC..Hα-helixtrans-59-40.6179.3-67.7169.4000111.9L156 I163 M165 V183 I184 Q190 G191 R192 I194L156-L187 HydrophobicContact CD2-CD1 3.73Å; L156-L187 HydrophobicContact CD2-CD2 3.74Å; L156-L187 HydrophobicContact CD2-CG 4.15Å; I163-L187 HydrophobicContact CD1-CD1 3.61Å; I163-L187 HydrophobicContact CD1-CD2 3.99Å; I163-L187 HydrophobicContact CD1-CG 4.35Å; M165-L187 HydrophobicContact CE-CD1 4.33Å; V183-L187 HydrophobicContact CG1-CD1 3.91Å; V183-L187 HydrophobicContact CG1-CG 4.17Å; V183-L187 VanDerWaalsContact O-CG 3.3Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 3.14Å; I184-L187 PolarHBondContact O-N 3.25Å; L187-Q190 WeakPolarHBondContact O-CB 3.49Å; L187-Q190 PolarHBondContact O-N 3.04Å; L187-G191 PolarHBondContact O-N 2.99Å; L187-R192 HydrophobicContact CB-CB 4.45Å; L187-R192 VanDerWaalsContact CD2-CD 3.49Å; L187-R192 WeakPolarHBondContact O-CB 3.42Å; L187-R192 PolarHBondContact O-N 3.26Å; L187-R192 VanDerWaalsContact O-N 3.16Å; L187-I194 HydrophobicContact CB-CD1 3.9Å; L187-I194 HydrophobicContact CD1-CD1 4.25Å
188K95.6Very high94.7Very high61 Ų6139.2 Ų39.227%0.26519%0.191SC..Hα-helixtrans-58.5-46.8173.3-176.1-173.5174.6166.70111.5G30 V32 I184 E186 Q190 G191 D209G30-K188 WeakPolarHBondContact CA-O 3.4Å; G30-K188 WeakPolarHBondContact O-CE 3.27Å; G30-K188 WeakPolarHBondContact O-CG 3.44Å; V32-K188 HydrophobicContact CG2-CD 4.2Å; I184-K188 VanDerWaalsContact O-CB 3.29Å; I184-K188 WeakPolarHBondContact O-CB 3.27Å; I184-K188 PolarHBondContact O-N 3.07Å; E186-K188 VanDerWaalsContact C-N 3.28Å; E186-K188 PolarHBondContact O-N 3.12Å; K188-Q190 PolarHBondContact O-N 3.44Å; K188-G191 PolarHBondContact O-N 3.16Å; K188-D209 WeakPolarHBondContact CE-OD2 2.86Å; K188-D209 IonicContact NZ-OD1 3.3Å; K188-D209 PolarHBondContact NZ-OD1 3.31Å; K188-D209 IonicContact NZ-OD2 3.81Å; K188-D209 PolarHBondContact NZ-OD2 3.34Å
189S95.6Very high94.1Very high101 Ų10137 Ų3771%0.70618%0.18SC*.Hα-helixtrans-66.2-22.6178.771.50000113.7R185 E186 G191R185-S189 PolarHBondContact O-N 3.36Å; E186-S189 PolarHBondContact O-N 3.1Å; E186-S189 PolarHBondContact O-OG 3.02Å; S189-G191 PolarHBondContact O-N 2.98Å
190Q94.6Very high93.7Very high98 Ų9841.5 Ų41.546%0.45820%0.196SC..THydrogen-bonded Turntrans-80.62171.4-64.3170.412.500113.5E186 L187 K188E186-Q190 WeakPolarHBondContact O-CG 3.43Å; E186-Q190 PolarHBondContact O-N 3.15Å; E186-Q190 VanDerWaalsContact O-N 3.12Å; E186-Q190 PolarHBondContact OE1-NE2 3.16Å; E186-Q190 VanDerWaalsContact OE1-NE2 3.14Å; L187-Q190 WeakPolarHBondContact O-CB 3.49Å; L187-Q190 PolarHBondContact O-N 3.04Å; K188-Q190 PolarHBondContact O-N 3.44Å
191G95.3Very high93.4Very high35 Ų3542.2 Ų42.236%0.36120%0.2SC..THydrogen-bonded Turntrans80.212.3178.800000114.6P29 G30 L187 K188 S189P29-G191 WeakPolarHBondContact CA-O 3.43Å; P29-G191 WeakPolarHBondContact CB-O 3.15Å; G30-G191 VanDerWaalsContact N-C 3.31Å; G30-G191 PolarHBondContact N-O 2.8Å; G30-G191 VanDerWaalsContact N-O 3.14Å; L187-G191 PolarHBondContact O-N 2.99Å; K188-G191 PolarHBondContact O-N 3.16Å; S189-G191 PolarHBondContact O-N 2.98Å
192R96.1Very high93.1Very high47 Ų4750.1 Ų50.118%0.17723%0.234CC..  trans-72.8143.7173.4-59.2-175.3-175.3-146.84.6110.2G30 F158 S160 K161 L187G30-R192 WeakPolarHBondContact CA-O 3.31Å; G30-R192 PolarHBondContact N-O 2.83Å; F158-R192 PolarHBondContact O-NH1 3.4Å; S160-R192 VanDerWaalsContact O-CD 3.29Å; S160-R192 WeakPolarHBondContact O-CD 3.29Å; S160-R192 PolarHBondContact O-NE 3Å; S160-R192 PolarHBondContact O-NH1 3.41Å; S160-R192 VanDerWaalsContact O-NH1 3.1Å; K161-R192 WeakPolarHBondContact O-CA 3.46Å; L187-R192 HydrophobicContact CB-CB 4.45Å; L187-R192 VanDerWaalsContact CD2-CD 3.49Å; L187-R192 WeakPolarHBondContact O-CB 3.42Å; L187-R192 PolarHBondContact O-N 3.26Å; L187-R192 VanDerWaalsContact O-N 3.16Å
193G97.3Very high93.1Very high0 Ų044.2 Ų44.20%021%0.213CC..EExtended strand (participates in β ladder)trans-87.8137.9170.400000110.4Y28 K161 V162 I163Y28-G193 VanDerWaalsContact O-CA 3.27Å; Y28-G193 WeakPolarHBondContact O-CA 3.39Å; K161-G193 PolarHBondContact O-N 3.27Å; V162-G193 CarbonylContact C-O 2.96Å; V162-G193 VanDerWaalsContact CA-O 3.26Å; V162-G193 WeakPolarHBondContact CA-O 3.49Å; I163-G193 PolarHBondContact N-O 2.92Å
194I97.6Very high93.2Very high0 Ų044 Ų440%021%0.211CC..EExtended strand (participates in β ladder)trans-124.4133.2-178.9-57.5174.5000109R31 V32 M33 I163 M165 I184 L187R31-I194 PolarHBondContact O-N 3.37Å; V32-I194 HydrophobicContact CB-CB 4.46Å; V32-I194 HydrophobicContact CG1-CB 4.26Å; V32-I194 HydrophobicContact CG1-CG2 4.18Å; V32-I194 HydrophobicContact CG2-CB 4.17Å; V32-I194 HydrophobicContact CG2-CD1 4.19Å; M33-I194 PolarHBondContact N-O 2.7Å; I163-I194 CarbonylContact O-C 3.56Å; I163-I194 VanDerWaalsContact O-CA 3.28Å; I163-I194 WeakPolarHBondContact O-CA 3.33Å; M165-I194 HydrophobicContact CE-CG2 4.39Å; M165-I194 HydrophobicContact CG-CG2 4.47Å; M165-I194 HydrophobicContact SD-CG2 4.42Å; I184-I194 HydrophobicContact CB-CD1 4.38Å; I184-I194 HydrophobicContact CG2-CD1 3.84Å; L187-I194 HydrophobicContact CB-CD1 3.9Å; L187-I194 HydrophobicContact CD1-CD1 4.25Å
195V97.4Very high93.2Very high0 Ų047.3 Ų47.30%023%0.226CC..EExtended strand (participates in β ladder)trans-104.4119.7165.8-177.60000107.2L25 V27 M33 L35 I163 I164 M165 I197L25-V195 HydrophobicContact CD2-CG1 4.43Å; L25-V195 HydrophobicContact CD2-CG2 4.3Å; V27-V195 HydrophobicContact CB-CG2 4.45Å; V27-V195 HydrophobicContact CG1-CG2 4.16Å; V27-V195 HydrophobicContact CG2-CG2 3.41Å; V27-V195 VanDerWaalsContact CG2-CG2 3.41Å; M33-V195 CarbonylContact O-C 3.58Å; M33-V195 VanDerWaalsContact O-CA 3.32Å; M33-V195 WeakPolarHBondContact O-CA 3.46Å; L35-V195 HydrophobicContact CB-CG1 4.11Å; I163-V195 PolarHBondContact O-N 3.07Å; I164-V195 CarbonylContact C-O 3.59Å; I164-V195 WeakPolarHBondContact CA-O 3.42Å; I164-V195 HydrophobicContact CB-CB 4.44Å; I164-V195 HydrophobicContact CG1-CB 4.07Å; I164-V195 HydrophobicContact CG1-CG2 4.2Å; I164-V195 HydrophobicContact CG2-CB 4.38Å; M165-V195 PolarHBondContact N-O 2.67Å; V195-I197 HydrophobicContact CG1-CG1 4.32Å
196Y96.8Very high93.1Very high0 Ų045.9 Ų45.90%023%0.225CC..EExtended strand (participates in β ladder)trans-112.6111.6180-166-94.8000109.2M33 A34 L35 M165 P168 T169 I184 E203 I207M33-Y196 PolarHBondContact O-N 3.47Å; A34-Y196 CarbonylContact C-O 3.48Å; A34-Y196 VanDerWaalsContact CA-O 3.23Å; A34-Y196 WeakPolarHBondContact CA-O 3.33Å; L35-Y196 PolarHBondContact N-O 3.27Å; M165-Y196 HydrophobicContact CB-CD2 4.24Å; M165-Y196 HydrophobicContact SD-CD2 4.26Å; P168-Y196 HydrophobicContact CG-CD2 4.16Å; P168-Y196 HydrophobicContact CG-CE2 3.39Å; T169-Y196 VanDerWaalsContact CG2-OH 3.27Å; T169-Y196 WeakPolarHBondContact CG2-OH 3.46Å; I184-Y196 HydrophobicContact CD1-CD2 3.96Å; I184-Y196 HydrophobicContact CD1-CE2 3.8Å; Y196-E203 HydrophobicContact CE1-CB 4.22Å; Y196-E203 WeakPolarHBondContact CE1-OE2 3.47Å; Y196-E203 PolarHBondContact OH-OE2 3.2Å; Y196-I207 HydrophobicContact CD1-CD1 3.82Å; Y196-I207 HydrophobicContact CD2-CD1 3.53Å; Y196-I207 HydrophobicContact CE1-CD1 3.89Å; Y196-I207 HydrophobicContact CE2-CD1 3.61Å; Y196-I207 HydrophobicContact CG-CD1 3.64Å
197I94.8Very high93.2Very high0 Ų043.1 Ų43.10%021%0.212CC..EExtended strand (participates in β ladder)trans-98.6120.2177.3-55.9160.7000106.6L35 K43 M47 I164 M165 D166 E167 V195L35-I197 HydrophobicContact CB-CG1 4.06Å; L35-I197 HydrophobicContact CD2-CD1 4.48Å; L35-I197 HydrophobicContact CD2-CG1 4.27Å; K43-I197 HydrophobicContact CB-CG2 4.42Å; K43-I197 HydrophobicContact CD-CG2 3.98Å; M47-I197 HydrophobicContact CG-CD1 3.5Å; M47-I197 VanDerWaalsContact CG-CD1 3.5Å; M47-I197 HydrophobicContact SD-CD1 3.85Å; I164-I197 HydrophobicContact CG2-CD1 4.27Å; M165-I197 PolarHBondContact O-N 2.98Å; D166-I197 HydrophobicContact CB-CD1 4.06Å; D166-I197 WeakPolarHBondContact OD1-CD1 3.42Å; D166-I197 WeakPolarHBondContact OD1-CG2 3.46Å; E167-I197 VanDerWaalsContact CA-O 3.27Å; E167-I197 WeakPolarHBondContact CA-O 3.46Å; E167-I197 HydrophobicContact CG-CG2 4.35Å; E167-I197 PolarHBondContact N-O 2.9Å; V195-I197 HydrophobicContact CG1-CG1 4.32Å
198S87.6Confident93.4Very high2 Ų243.3 Ų43.31%0.01421%0.214CC..  trans-156152.3177.7-179.10000109.5R200 E203S198-R200 WeakPolarHBondContact OG-CB 3.32Å; S198-R200 PolarHBondContact OG-N 2.73Å; S198-E203 PolarHBondContact OG-OE2 3.02Å; S198-E203 VanDerWaalsContact OG-OE2 3.08Å
199H79Confident93.5Very high75 Ų7542 Ų4235%0.34721%0.21SC..SBendtrans-102.74.9168.460.6-89.8000111.7E167 D170 M201E167-H199 IonicContact OE1-CE1 2.61Å; E167-H199 IonicContact OE1-ND1 2.72Å; E167-H199 PolarHBondContact OE1-ND1 3.29Å; E167-H199 IonicContact OE2-ND1 3.15Å; D170-H199 IonicContact OD1-CE1 3.53Å; D170-H199 PolarHBondContact OD1-CE1 2.81Å; H199-M201 WeakPolarHBondContact O-CE 3.48Å
200R83.7Confident93.6Very high103 Ų10337.8 Ų37.839%0.38918%0.179SC..  trans-95.5103.2-179-61.8176174.2-133.24.2110.5D170 S198 K202 E203 I204D170-R200 IonicContact OD1-NE 2.65Å; D170-R200 IonicContact OD1-NH2 2.77Å; S198-R200 WeakPolarHBondContact OG-CB 3.32Å; S198-R200 PolarHBondContact OG-N 2.73Å; R200-K202 VanDerWaalsContact C-N 3.34Å; R200-K202 PolarHBondContact O-N 3.07Å; R200-E203 HydrophobicContact CB-CB 4.37Å; R200-E203 HydrophobicContact CB-CG 3.75Å; R200-E203 WeakPolarHBondContact CD-OE1 3.42Å; R200-E203 IonicContact NE-OE1 3.51Å; R200-E203 WeakPolarHBondContact O-CB 3.4Å; R200-E203 PolarHBondContact O-N 3.45Å; R200-E203 VanDerWaalsContact O-N 3.14Å; R200-I204 PolarHBondContact O-N 3.25Å
201M87Confident93.7Very high16 Ų1633.1 Ų33.18%0.07916%0.157CC..Hα-helixtrans-61.1-41.9-172.3-63.6-51.410700112.7H199 E203 I204 F205 E230 L233 M237H199-M201 WeakPolarHBondContact O-CE 3.48Å; M201-E203 PolarHBondContact O-N 3.45Å; M201-I204 HydrophobicContact CE-CD1 3.43Å; M201-I204 VanDerWaalsContact CE-CD1 3.43Å; M201-I204 WeakPolarHBondContact O-CB 3.28Å; M201-I204 PolarHBondContact O-N 3.46Å; M201-I204 HydrophobicContact SD-CD1 3.78Å; M201-F205 HydrophobicContact CB-CD2 4.34Å; M201-F205 HydrophobicContact CB-CE2 4.32Å; M201-F205 WeakPolarHBondContact O-CD2 3.13Å; M201-F205 PolarHBondContact O-N 3.37Å; M201-E230 HydrophobicContact CB-CG 3.77Å; M201-E230 VanDerWaalsContact CB-OE1 3.32Å; M201-E230 WeakPolarHBondContact CB-OE1 3.3Å; M201-E230 HydrophobicContact CG-CG 3.81Å; M201-L233 HydrophobicContact SD-CD2 3.77Å; M201-L233 HydrophobicContact SD-CG 4.34Å; M201-M237 HydrophobicContact CE-CE 4.38Å; M201-M237 HydrophobicContact CE-SD 4.35Å
202K89.2Confident93.8Very high171 Ų17131.4 Ų31.474%0.74314%0.14SC*.Hα-helixtrans-52.2-41.7176.9-171.6-178.3175.8-170.10112.5R200 E206R200-K202 VanDerWaalsContact C-N 3.34Å; R200-K202 PolarHBondContact O-N 3.07Å; K202-E206 WeakPolarHBondContact O-CB 3.38Å; K202-E206 PolarHBondContact O-N 3.29Å; K202-E206 VanDerWaalsContact O-N 3.09Å
203E93.5Very high93.8Very high13 Ų1329.2 Ų29.26%0.06113%0.132CC..Hα-helixtrans-67.9-45178.2-53-177.1172.800111.4T169 F181 Y196 S198 R200 M201 F205 E206 I207T169-E203 VanDerWaalsContact CB-OE1 3.32Å; T169-E203 WeakPolarHBondContact CB-OE1 3.24Å; T169-E203 VanDerWaalsContact OG1-CD 3.25Å; T169-E203 PolarHBondContact OG1-OE1 2.99Å; T169-E203 PolarHBondContact OG1-OE2 3.11Å; T169-E203 VanDerWaalsContact OG1-OE2 3.06Å; F181-E203 HydrophobicContact CZ-CB 3.86Å; F181-E203 HydrophobicContact CZ-CG 3.86Å; Y196-E203 HydrophobicContact CE1-CB 4.22Å; Y196-E203 WeakPolarHBondContact CE1-OE2 3.47Å; Y196-E203 PolarHBondContact OH-OE2 3.2Å; S198-E203 PolarHBondContact OG-OE2 3.02Å; S198-E203 VanDerWaalsContact OG-OE2 3.08Å; R200-E203 HydrophobicContact CB-CB 4.37Å; R200-E203 HydrophobicContact CB-CG 3.75Å; R200-E203 WeakPolarHBondContact CD-OE1 3.42Å; R200-E203 IonicContact NE-OE1 3.51Å; R200-E203 WeakPolarHBondContact O-CB 3.4Å; R200-E203 PolarHBondContact O-N 3.45Å; R200-E203 VanDerWaalsContact O-N 3.14Å; M201-E203 PolarHBondContact O-N 3.45Å; E203-F205 VanDerWaalsContact C-N 3.33Å; E203-F205 PolarHBondContact O-N 3.03Å; E203-E206 PolarHBondContact O-N 2.98Å; E203-E206 VanDerWaalsContact O-N 3.07Å; E203-I207 WeakPolarHBondContact O-CG1 3.38Å; E203-I207 PolarHBondContact O-N 2.84Å
204I95.5Very high93.6Very high0 Ų029.2 Ų29.20%013%0.132CC..Hα-helixtrans-56.2-49.6178.5-68.1156.9000110.2A34 V36 R200 M201 E206 C208 V225 L233A34-I204 HydrophobicContact CB-CG1 4.3Å; A34-I204 HydrophobicContact CB-CG2 3.95Å; V36-I204 HydrophobicContact CG1-CD1 3.5Å; V36-I204 VanDerWaalsContact CG1-CD1 3.5Å; V36-I204 HydrophobicContact CG1-CG1 4.29Å; R200-I204 PolarHBondContact O-N 3.25Å; M201-I204 HydrophobicContact CE-CD1 3.43Å; M201-I204 VanDerWaalsContact CE-CD1 3.43Å; M201-I204 WeakPolarHBondContact O-CB 3.28Å; M201-I204 PolarHBondContact O-N 3.46Å; M201-I204 HydrophobicContact SD-CD1 3.78Å; I204-E206 VanDerWaalsContact C-N 3.27Å; I204-E206 PolarHBondContact O-N 3.02Å; I204-C208 HydrophobicContact CG2-CB 4.35Å; I204-C208 WeakPolarHBondContact O-CB 3.2Å; I204-C208 PolarHBondContact O-N 3.03Å; I204-V225 HydrophobicContact CG2-CG2 4.33Å; I204-L233 HydrophobicContact CG2-CD2 4.16Å
205F95.9Very high93.3Very high70 Ų7032.4 Ų32.431%0.30714%0.144SC..Hα-helixtrans-69.5-21.9178.9-73.4-76.7000113.7M201 E203 V225 L228 T229 E230 L233M201-F205 HydrophobicContact CB-CD2 4.34Å; M201-F205 HydrophobicContact CB-CE2 4.32Å; M201-F205 WeakPolarHBondContact O-CD2 3.13Å; M201-F205 PolarHBondContact O-N 3.37Å; E203-F205 VanDerWaalsContact C-N 3.33Å; E203-F205 PolarHBondContact O-N 3.03Å; F205-V225 HydrophobicContact CD1-CG1 3.58Å; F205-V225 HydrophobicContact CE1-CG1 3.98Å; F205-V225 HydrophobicContact CG-CG1 4.27Å; F205-L228 HydrophobicContact CE1-CB 4.22Å; F205-L228 WeakPolarHBondContact CE1-O 3.46Å; F205-L228 HydrophobicContact CZ-CB 4.4Å; F205-T229 VanDerWaalsContact CZ-C 3.48Å; F205-E230 HydrophobicContact CE2-CB 4.01Å; F205-E230 HydrophobicContact CE2-CG 4.48Å; F205-L233 HydrophobicContact CE2-CD2 4.28Å; F205-L233 HydrophobicContact CZ-CB 4.48Å; F205-L233 HydrophobicContact CZ-CD2 4.3Å
206E95.4Very high92.7Very high94 Ų9438.4 Ų38.444%0.43918%0.176SC..Hα-helixtrans-83.6-40179.1-173.3-180156.600113.3F181 R185 K202 E203 I204F181-E206 WeakPolarHBondContact CD2-OE1 3.48Å; F181-E206 HydrophobicContact CE2-CG 4.43Å; R185-E206 IonicContact CZ-OE1 3.62Å; R185-E206 IonicContact NH2-OE1 3.89Å; R185-E206 PolarHBondContact NH2-OE1 3.19Å; K202-E206 WeakPolarHBondContact O-CB 3.38Å; K202-E206 PolarHBondContact O-N 3.29Å; K202-E206 VanDerWaalsContact O-N 3.09Å; E203-E206 PolarHBondContact O-N 2.98Å; E203-E206 VanDerWaalsContact O-N 3.07Å; I204-E206 VanDerWaalsContact C-N 3.27Å; I204-E206 PolarHBondContact O-N 3.02Å
207I96.2Very high92.4Very high12 Ų1238.5 Ų38.56%0.06218%0.177CC..Hα-helixtrans-118.3-17.9-16861135.4000115.3V32 F181 I184 Y196 E203V32-I207 WeakPolarHBondContact CB-O 3.39Å; V32-I207 HydrophobicContact CG1-CD1 4.32Å; F181-I207 HydrophobicContact CB-CG2 4.04Å; F181-I207 HydrophobicContact CD1-CG2 3.75Å; F181-I207 HydrophobicContact CD2-CG2 3.64Å; F181-I207 HydrophobicContact CE1-CD1 4.31Å; F181-I207 HydrophobicContact CE1-CG1 4.36Å; F181-I207 HydrophobicContact CE1-CG2 4.02Å; F181-I207 HydrophobicContact CE2-CG2 3.92Å; F181-I207 HydrophobicContact CG-CG2 3.54Å; F181-I207 HydrophobicContact CZ-CG2 4.1Å; I184-I207 HydrophobicContact CD1-CD1 3.85Å; I184-I207 HydrophobicContact CG2-CD1 4.41Å; Y196-I207 HydrophobicContact CD1-CD1 3.82Å; Y196-I207 HydrophobicContact CD2-CD1 3.53Å; Y196-I207 HydrophobicContact CE1-CD1 3.89Å; Y196-I207 HydrophobicContact CE2-CD1 3.61Å; Y196-I207 HydrophobicContact CG-CD1 3.64Å; E203-I207 WeakPolarHBondContact O-CG1 3.38Å; E203-I207 PolarHBondContact O-N 2.84Å
208C97.9Very high92.3Very high12 Ų1243.2 Ų43.28%0.08120%0.199CC..  trans-93.8144.8-174-57.10000112.2V32 A34 I204 V225V32-C208 HydrophobicContact CG1-CB 4.28Å; A34-C208 HydrophobicContact CB-CB 3.94Å; I204-C208 HydrophobicContact CG2-CB 4.35Å; I204-C208 WeakPolarHBondContact O-CB 3.2Å; I204-C208 PolarHBondContact O-N 3.03Å; C208-V225 HydrophobicContact CB-CG2 3.98Å
209D97.9Very high92.6Very high34 Ų3446.5 Ų46.518%0.18221%0.213CC..SBendtrans-93.2-43176-64-76.7000111.4R31 V32 K188 V225R31-D209 WeakPolarHBondContact CA-OD2 3.45Å; R31-D209 HydrophobicContact CB-CB 4.33Å; V32-D209 PolarHBondContact N-OD2 3.11Å; V32-D209 PolarHBondContact O-N 3.34Å; K188-D209 WeakPolarHBondContact CE-OD2 2.86Å; K188-D209 IonicContact NZ-OD1 3.3Å; K188-D209 PolarHBondContact NZ-OD1 3.31Å; K188-D209 IonicContact NZ-OD2 3.81Å; K188-D209 PolarHBondContact NZ-OD2 3.34Å; D209-V225 PolarHBondContact O-N 3.32Å
210D97.5Very high93.4Very high11 Ų1145.7 Ų45.76%0.05921%0.211CC..EExtended strand (participates in β ladder)trans-128.4159.3-177.9-53.3-65.8000109.7R31 V32 M33 A34 R223R31-D210 IonicContact CZ-OD1 2.75Å; R31-D210 IonicContact CZ-OD2 3.77Å; R31-D210 VanDerWaalsContact CZ-OD2 3.32Å; R31-D210 IonicContact NE-OD1 3.73Å; R31-D210 IonicContact NE-OD2 3.57Å; R31-D210 PolarHBondContact NE-OD2 3.01Å; R31-D210 VanDerWaalsContact NH2-CG 3.27Å; R31-D210 IonicContact NH2-OD1 3.47Å; R31-D210 PolarHBondContact NH2-OD1 3.25Å; R31-D210 IonicContact NH2-OD2 2.73Å; R31-D210 PolarHBondContact NH2-OD2 3.27Å; R31-D210 VanDerWaalsContact NH2-OD2 3.13Å; V32-D210 PolarHBondContact O-N 3.36Å; M33-D210 CarbonylContact C-O 3.5Å; M33-D210 HydrophobicContact CE-CB 3.4Å; M33-D210 HydrophobicContact SD-CB 3.63Å; A34-D210 PolarHBondContact N-O 2.88Å; D210-R223 CarbonylContact C-O 3.17Å; D210-R223 VanDerWaalsContact CA-O 3.31Å; D210-R223 WeakPolarHBondContact CA-O 3.5Å
211V97.3Very high93.9Very high0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-132.7133173.863.30000110.6A34 V36 V213 E222 R223 V225 L228 L233A34-V211 HydrophobicContact CB-CB 4.05Å; A34-V211 HydrophobicContact CB-CG2 3.87Å; A34-V211 CarbonylContact O-C 3.56Å; A34-V211 WeakPolarHBondContact O-CA 3.08Å; V36-V211 HydrophobicContact CB-CG2 4.26Å; V36-V211 HydrophobicContact CG1-CG2 3.81Å; V36-V211 HydrophobicContact CG2-CG2 3.44Å; V36-V211 VanDerWaalsContact CG2-CG2 3.44Å; V211-V213 HydrophobicContact CG2-CG2 4.17Å; V211-E222 CarbonylContact O-C 3.58Å; V211-E222 VanDerWaalsContact O-CA 3.26Å; V211-E222 WeakPolarHBondContact O-CA 3.45Å; V211-R223 HydrophobicContact CG1-CB 4.18Å; V211-R223 PolarHBondContact N-O 3.49Å; V211-R223 PolarHBondContact O-N 2.94Å; V211-V225 HydrophobicContact CB-CG2 4.09Å; V211-V225 HydrophobicContact CG1-CG2 4.35Å; V211-L228 HydrophobicContact CG1-CD1 3.43Å; V211-L228 VanDerWaalsContact CG1-CD1 3.43Å; V211-L233 HydrophobicContact CG1-CD1 4.06Å; V211-L233 HydrophobicContact CG2-CD1 3.9Å; V211-L233 HydrophobicContact CG2-CD2 4.49Å
212T97Very high94.4Very high0 Ų042.2 Ų42.20%020%0.199CC..EExtended strand (participates in β ladder)trans-104.3122.2166.8-66.40000108.3L25 M33 A34 L35 V36 F214 F219 A221L25-T212 HydrophobicContact CD1-CG2 4.29Å; M33-T212 PolarHBondContact SD-N 3.36Å; M33-T212 PolarHBondContact SD-OG1 2.83Å; A34-T212 PolarHBondContact O-N 3.41Å; L35-T212 HydrophobicContact CD1-CG2 3.92Å; V36-T212 PolarHBondContact N-O 3.01Å; T212-F214 HydrophobicContact CG2-CD1 3.98Å; T212-F214 HydrophobicContact CG2-CE1 3.6Å; T212-F219 HydrophobicContact CG2-CD2 3.86Å; T212-F219 HydrophobicContact CG2-CE2 3.95Å; T212-A221 WeakPolarHBondContact CA-O 3.27Å
213V95.6Very high94.7Very high1 Ų140 Ų401%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-102.9124.1-177-1750000110.6V36 V211 I220 A221 L233 M236 M237V36-V213 HydrophobicContact CG2-CB 4.22Å; V36-V213 HydrophobicContact CG2-CG1 4.27Å; V36-V213 HydrophobicContact CG2-CG2 3.78Å; V211-V213 HydrophobicContact CG2-CG2 4.17Å; V213-I220 HydrophobicContact CB-CB 4.32Å; V213-I220 HydrophobicContact CG1-CB 4.3Å; V213-I220 WeakPolarHBondContact O-CB 3.32Å; V213-I220 PolarHBondContact O-N 2.88Å; V213-A221 PolarHBondContact N-O 3.47Å; V213-L233 HydrophobicContact CG2-CD1 3.68Å; V213-M236 HydrophobicContact CB-CB 4.41Å; V213-M236 HydrophobicContact CG1-CB 3.91Å; V213-M236 WeakPolarHBondContact CG1-O 3.45Å; V213-M236 HydrophobicContact CG2-CB 4.14Å; V213-M236 HydrophobicContact CG2-CE 4.47Å; V213-M237 HydrophobicContact CG1-CB 4.4Å; V213-M237 HydrophobicContact CG1-CG 3.78Å
214F94Very high94.9Very high0 Ų044.9 Ų44.90%021%0.209CC..EExtended strand (participates in β ladder)trans-106.6141.8171.4-79.919.3000111.2L20 A23 A24 L35 V36 G37 A41 M46 T212 Q218 F219L20-F214 HydrophobicContact CD2-CD2 4.46Å; L20-F214 HydrophobicContact CD2-CE2 4.08Å; A23-F214 HydrophobicContact CB-CE2 3.95Å; A23-F214 HydrophobicContact CB-CZ 3.82Å; A24-F214 WeakPolarHBondContact O-CE1 3.27Å; A24-F214 WeakPolarHBondContact O-CZ 3.43Å; L35-F214 HydrophobicContact CD1-CD1 3.88Å; L35-F214 HydrophobicContact CD1-CD2 4.26Å; L35-F214 HydrophobicContact CD1-CE1 3.85Å; L35-F214 HydrophobicContact CD1-CE2 4.23Å; L35-F214 HydrophobicContact CD1-CG 4.07Å; L35-F214 HydrophobicContact CD1-CZ 4Å; V36-F214 PolarHBondContact O-N 3.12Å; G37-F214 WeakPolarHBondContact CA-O 3.05Å; A41-F214 HydrophobicContact CB-CB 4.13Å; M46-F214 HydrophobicContact CB-CE2 4.02Å; M46-F214 HydrophobicContact CE-CE2 3.97Å; M46-F214 HydrophobicContact CE-CZ 3.52Å; M46-F214 HydrophobicContact CG-CE2 4.16Å; M46-F214 HydrophobicContact CG-CZ 4.3Å; T212-F214 HydrophobicContact CG2-CD1 3.98Å; T212-F214 HydrophobicContact CG2-CE1 3.6Å; F214-Q218 VanDerWaalsContact CA-O 3.26Å; F214-Q218 WeakPolarHBondContact CA-O 3.47Å; F214-F219 HydrophobicContact CE1-CB 4.33Å; F214-F219 HydrophobicContact CE1-CD2 4.32Å
215R89.8Confident95Very high67 Ų6745.2 Ų45.225%0.25321%0.211SC..EExtended strand (participates in β ladder)trans-145.4129.9170.7-172173.568.3-170.10.9108.6G217 Q218 I220 M237 V238R215-G217 VanDerWaalsContact C-N 3.27Å; R215-G217 PolarHBondContact O-N 3.08Å; R215-Q218 PolarHBondContact N-O 2.7Å; R215-Q218 WeakPolarHBondContact O-CB 3.43Å; R215-Q218 PolarHBondContact O-N 2.68Å; R215-I220 HydrophobicContact CB-CD1 3.88Å; R215-I220 HydrophobicContact CB-CG1 3.58Å; R215-M237 WeakPolarHBondContact CD-O 3.06Å; R215-M237 WeakPolarHBondContact CG-O 3.16Å; R215-V238 PolarHBondContact NH1-O 3.31Å
216D86.4Confident95Very high125 Ų12546.7 Ų46.767%0.66824%0.236SC*.THydrogen-bonded Turntrans50.840.9-179.5-54.5-42000114.7Q218D216-Q218 PolarHBondContact O-N 3.06Å
217G89.6Confident95Very high2 Ų245.9 Ų45.92%0.02124%0.241CC..THydrogen-bonded Turntrans75.84.4-179.100000114.6A19 L20 S21 A41 R215A19-G217 WeakPolarHBondContact O-CA 3.14Å; L20-G217 CarbonylContact C-O 3.59Å; L20-G217 WeakPolarHBondContact CA-O 3.39Å; S21-G217 PolarHBondContact N-O 3.2Å; A41-G217 VanDerWaalsContact O-CA 3.23Å; A41-G217 WeakPolarHBondContact O-CA 2.98Å; A41-G217 PolarHBondContact O-N 3.01Å; A41-G217 VanDerWaalsContact O-N 3.13Å; R215-G217 VanDerWaalsContact C-N 3.27Å; R215-G217 PolarHBondContact O-N 3.08Å
218Q93.1Very high95Very high99 Ų9946.7 Ų46.746%0.46325%0.245SC..EExtended strand (participates in β ladder)trans-108.7148.6-177.5-56.2-176.82100111.5F214 R215 D216F214-Q218 VanDerWaalsContact CA-O 3.26Å; F214-Q218 WeakPolarHBondContact CA-O 3.47Å; R215-Q218 PolarHBondContact N-O 2.7Å; R215-Q218 WeakPolarHBondContact O-CB 3.43Å; R215-Q218 PolarHBondContact O-N 2.68Å; D216-Q218 PolarHBondContact O-N 3.06Å
219F94.5Very high94.8Very high71 Ų7150.1 Ų50.131%0.31127%0.266SS..EExtended strand (participates in β ladder)trans-73.9124.5166.1170.5-92.4000109.8A24 T212 F214 A221 E222A24-F219 HydrophobicContact CB-CB 4.19Å; A24-F219 HydrophobicContact CB-CD2 3.86Å; A24-F219 HydrophobicContact CB-CE2 4.37Å; A24-F219 HydrophobicContact CB-CG 3.97Å; T212-F219 HydrophobicContact CG2-CD2 3.86Å; T212-F219 HydrophobicContact CG2-CE2 3.95Å; F214-F219 HydrophobicContact CE1-CB 4.33Å; F214-F219 HydrophobicContact CE1-CD2 4.32Å; F219-A221 VanDerWaalsContact CE2-C 3.5Å; F219-E222 HydrophobicContact CE2-CB 4.1Å; F219-E222 HydrophobicContact CZ-CB 4.03Å
220I94.4Very high94.3Very high59 Ų5953.4 Ų53.430%0.30328%0.281SS..EExtended strand (participates in β ladder)trans-98-50.8178.1-57.7-54.7000110.7V213 R215V213-I220 HydrophobicContact CB-CB 4.32Å; V213-I220 HydrophobicContact CG1-CB 4.3Å; V213-I220 WeakPolarHBondContact O-CB 3.32Å; V213-I220 PolarHBondContact O-N 2.88Å; R215-I220 HydrophobicContact CB-CD1 3.88Å; R215-I220 HydrophobicContact CB-CG1 3.58Å
221A94.9Very high93.6Very high5 Ų557 Ų574%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-165161.8179.100000112.5T212 V213 F219 R223 M236T212-A221 WeakPolarHBondContact CA-O 3.27Å; V213-A221 PolarHBondContact N-O 3.47Å; F219-A221 VanDerWaalsContact CE2-C 3.5Å; A221-R223 HydrophobicContact CB-CG 4.45Å; A221-M236 HydrophobicContact CB-CE 3.26Å
222E96.2Very high93.3Very high40 Ų4058.5 Ų58.519%0.18731%0.31CS..EExtended strand (participates in β ladder)trans-116.5133.2161-174.6173.9130.500108N26 Y28 M33 V211 F219N26-E222 PolarHBondContact ND2-OE2 3.32Å; Y28-E222 WeakPolarHBondContact CE2-OE1 3.36Å; Y28-E222 PolarHBondContact OH-OE1 2.95Å; M33-E222 HydrophobicContact CE-CG 3.85Å; V211-E222 CarbonylContact O-C 3.58Å; V211-E222 VanDerWaalsContact O-CA 3.26Å; V211-E222 WeakPolarHBondContact O-CA 3.45Å; F219-E222 HydrophobicContact CE2-CB 4.1Å; F219-E222 HydrophobicContact CZ-CB 4.03Å
223R96.8Very high93Very high125 Ų12558.5 Ų58.547%0.47231%0.31SS..EExtended strand (participates in β ladder)trans-144.6153.8-177.6-68.8-65.8-177.8-90.80110.7D210 V211 A221 L228 M236D210-R223 CarbonylContact C-O 3.17Å; D210-R223 VanDerWaalsContact CA-O 3.31Å; D210-R223 WeakPolarHBondContact CA-O 3.5Å; V211-R223 HydrophobicContact CG1-CB 4.18Å; V211-R223 PolarHBondContact N-O 3.49Å; V211-R223 PolarHBondContact O-N 2.94Å; A221-R223 HydrophobicContact CB-CG 4.45Å; R223-L228 HydrophobicContact CB-CD1 3.92Å; R223-L228 HydrophobicContact CB-CD2 4.39Å; R223-L228 HydrophobicContact CB-CG 4.3Å; R223-L228 HydrophobicContact CG-CD2 4.41Å; R223-M236 HydrophobicContact CG-CE 4.06Å
224E97.1Very high92.5Very high115 Ų11560.9 Ų60.954%0.53732%0.322SS..EExtended strand (participates in β ladder)trans-72.7131.8166.8-65.9-172.5163.300109.3A226 S227E224-A226 PolarHBondContact O-N 2.89Å; E224-S227 WeakPolarHBondContact O-CB 3.48Å; E224-S227 PolarHBondContact O-N 3.22Å; E224-S227 PolarHBondContact O-OG 3.1Å
225V97.2Very high92.1Very high7 Ų765.2 Ų65.24%0.04234%0.342CS..G310 helixtrans-59.1-37.4-179.4171.80000111.1I204 F205 C208 D209 V211 S227 L228I204-V225 HydrophobicContact CG2-CG2 4.33Å; F205-V225 HydrophobicContact CD1-CG1 3.58Å; F205-V225 HydrophobicContact CE1-CG1 3.98Å; F205-V225 HydrophobicContact CG-CG1 4.27Å; C208-V225 HydrophobicContact CB-CG2 3.98Å; D209-V225 PolarHBondContact O-N 3.32Å; V211-V225 HydrophobicContact CB-CG2 4.09Å; V211-V225 HydrophobicContact CG1-CG2 4.35Å; V225-S227 PolarHBondContact O-N 3.24Å; V225-S227 VanDerWaalsContact O-N 3.1Å; V225-L228 PolarHBondContact O-N 3.13Å
226A96.3Very high92.1Very high101 Ų10163.7 Ų63.784%0.83534%0.339SS*.G310 helixtrans-62.4-17.217800000114.4E224E224-A226 PolarHBondContact O-N 2.89Å
227S96.5Very high92Very high78 Ų7858.5 Ų58.555%0.54531%0.311SS..G310 helixtrans-90.6-2.9177.772.10000113.9E224 V225E224-S227 WeakPolarHBondContact O-CB 3.48Å; E224-S227 PolarHBondContact O-N 3.22Å; E224-S227 PolarHBondContact O-OG 3.1Å; V225-S227 PolarHBondContact O-N 3.24Å; V225-S227 VanDerWaalsContact O-N 3.1Å
228L95.6Very high91.7Very high28 Ų2858.7 Ų58.715%0.14731%0.312CS..  trans-114.1155.3-171.5-62175.8000112F205 V211 R223 V225 L233 M236F205-L228 HydrophobicContact CE1-CB 4.22Å; F205-L228 WeakPolarHBondContact CE1-O 3.46Å; F205-L228 HydrophobicContact CZ-CB 4.4Å; V211-L228 HydrophobicContact CG1-CD1 3.43Å; V211-L228 VanDerWaalsContact CG1-CD1 3.43Å; R223-L228 HydrophobicContact CB-CD1 3.92Å; R223-L228 HydrophobicContact CB-CD2 4.39Å; R223-L228 HydrophobicContact CB-CG 4.3Å; R223-L228 HydrophobicContact CG-CD2 4.41Å; V225-L228 PolarHBondContact O-N 3.13Å; L228-L233 HydrophobicContact CD1-CD1 4.14Å; L228-M236 HydrophobicContact CD2-SD 4.24Å
229T93Very high91.4Very high85 Ų8557.2 Ų57.252%0.52131%0.307SS..  trans-103.9161.816065.20000109.8F205 D231 S232 L233F205-T229 VanDerWaalsContact CZ-C 3.48Å; T229-D231 VanDerWaalsContact C-N 3.29Å; T229-D231 PolarHBondContact O-N 3Å; T229-S232 PolarHBondContact N-OG 3.2Å; T229-S232 PolarHBondContact O-N 3.41Å; T229-S232 VanDerWaalsContact O-N 3.15Å; T229-S232 PolarHBondContact O-OG 2.96Å; T229-S232 WeakPolarHBondContact OG1-CB 3.45Å; T229-S232 PolarHBondContact OG1-N 3.3Å; T229-S232 PolarHBondContact OG1-OG 2.6Å; T229-L233 PolarHBondContact O-N 2.75Å
230E87.9Confident91.2Very high103 Ų10354.9 Ų54.948%0.48130%0.297SS..Hα-helixtrans-53.4-47.3175-174.2166.3-178.600111.9M201 F205 S232 L233 I234M201-E230 HydrophobicContact CB-CG 3.77Å; M201-E230 VanDerWaalsContact CB-OE1 3.32Å; M201-E230 WeakPolarHBondContact CB-OE1 3.3Å; M201-E230 HydrophobicContact CG-CG 3.81Å; F205-E230 HydrophobicContact CE2-CB 4.01Å; F205-E230 HydrophobicContact CE2-CG 4.48Å; E230-S232 PolarHBondContact O-N 3.41Å; E230-L233 PolarHBondContact O-N 3.47Å; E230-I234 HydrophobicContact CG-CD1 4.05Å; E230-I234 WeakPolarHBondContact O-CG1 3.44Å; E230-I234 PolarHBondContact O-N 3.16Å
231D83.6Confident91.2Very high86 Ų8654 Ų5446%0.4629%0.29SS..Hα-helixtrans-58.1-45.8176.3-70.9-31.2000113T229 L233 I234 E235 K243T229-D231 VanDerWaalsContact C-N 3.29Å; T229-D231 PolarHBondContact O-N 3Å; D231-L233 VanDerWaalsContact C-N 3.25Å; D231-L233 PolarHBondContact O-N 2.97Å; D231-I234 PolarHBondContact O-N 2.91Å; D231-E235 WeakPolarHBondContact O-CB 3.38Å; D231-E235 WeakPolarHBondContact O-CG 3.43Å; D231-E235 PolarHBondContact O-N 2.9Å; D231-K243 IonicContact OD2-NZ 2.85Å
232S89.4Confident91.3Very high31 Ų3153.8 Ų53.822%0.21729%0.288CS..Hα-helixtrans-65.1-33.2-179.270.90000111.7T229 E230 M236T229-S232 PolarHBondContact N-OG 3.2Å; T229-S232 PolarHBondContact O-N 3.41Å; T229-S232 VanDerWaalsContact O-N 3.15Å; T229-S232 PolarHBondContact O-OG 2.96Å; T229-S232 WeakPolarHBondContact OG1-CB 3.45Å; T229-S232 PolarHBondContact OG1-N 3.3Å; T229-S232 PolarHBondContact OG1-OG 2.6Å; E230-S232 PolarHBondContact O-N 3.41Å; S232-M236 VanDerWaalsContact O-CG 3.24Å; S232-M236 WeakPolarHBondContact O-CG 3.38Å; S232-M236 PolarHBondContact O-N 3.23Å
233L91.7Very high91.3Very high1 Ų153.3 Ų53.31%0.00529%0.286CS..Hα-helixtrans-71.5-43.2177.2-17655.2000111.3V36 M201 I204 F205 V211 V213 L228 T229 E230 D231 E235 M236 M237V36-L233 HydrophobicContact CG2-CD1 3.96Å; M201-L233 HydrophobicContact SD-CD2 3.77Å; M201-L233 HydrophobicContact SD-CG 4.34Å; I204-L233 HydrophobicContact CG2-CD2 4.16Å; F205-L233 HydrophobicContact CE2-CD2 4.28Å; F205-L233 HydrophobicContact CZ-CB 4.48Å; F205-L233 HydrophobicContact CZ-CD2 4.3Å; V211-L233 HydrophobicContact CG1-CD1 4.06Å; V211-L233 HydrophobicContact CG2-CD1 3.9Å; V211-L233 HydrophobicContact CG2-CD2 4.49Å; V213-L233 HydrophobicContact CG2-CD1 3.68Å; L228-L233 HydrophobicContact CD1-CD1 4.14Å; T229-L233 PolarHBondContact O-N 2.75Å; E230-L233 PolarHBondContact O-N 3.47Å; D231-L233 VanDerWaalsContact C-N 3.25Å; D231-L233 PolarHBondContact O-N 2.97Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 3.02Å; L233-M236 WeakPolarHBondContact O-CB 3.38Å; L233-M236 PolarHBondContact O-N 3.41Å; L233-M236 VanDerWaalsContact O-N 3.11Å; L233-M237 HydrophobicContact CG-SD 4.15Å; L233-M237 WeakPolarHBondContact O-CG 3.1Å; L233-M237 PolarHBondContact O-N 3.26Å
234I84.9Confident91.3Very high51 Ų5147.4 Ų47.426%0.26226%0.264SS..Hα-helixtrans-59.5-45.7175.1-67.5167.5000110.3E230 D231 M236 M237 V238E230-I234 HydrophobicContact CG-CD1 4.05Å; E230-I234 WeakPolarHBondContact O-CG1 3.44Å; E230-I234 PolarHBondContact O-N 3.16Å; D231-I234 PolarHBondContact O-N 2.91Å; I234-M236 PolarHBondContact O-N 3.44Å; I234-M237 PolarHBondContact O-N 3.22Å; I234-V238 HydrophobicContact CG2-CG2 4.15Å; I234-V238 WeakPolarHBondContact O-CG2 3.42Å; I234-V238 PolarHBondContact O-N 3.37Å
235E85.2Confident91.2Very high90 Ų9044.3 Ų44.342%0.42125%0.251SS..Hα-helixtrans-58.4-28.6176.3-81.1173-162.500113.4D231 L233 V238 I240 K243D231-E235 WeakPolarHBondContact O-CB 3.38Å; D231-E235 WeakPolarHBondContact O-CG 3.43Å; D231-E235 PolarHBondContact O-N 2.9Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 3.02Å; E235-V238 VanDerWaalsContact O-O 3.04Å; E235-I240 HydrophobicContact CB-CD1 4.47Å; E235-I240 HydrophobicContact CG-CD1 3.53Å; E235-K243 IonicContact OE1-NZ 3.13Å; E235-K243 PolarHBondContact OE1-NZ 2.98Å
236M89.1Confident91.1Very high35 Ų3547.6 Ų47.617%0.17227%0.268CS..Hα-helixtrans-80-32.2174.4-65.2174.98300112.4V213 A221 R223 L228 S232 L233 I234V213-M236 HydrophobicContact CB-CB 4.41Å; V213-M236 HydrophobicContact CG1-CB 3.91Å; V213-M236 WeakPolarHBondContact CG1-O 3.45Å; V213-M236 HydrophobicContact CG2-CB 4.14Å; V213-M236 HydrophobicContact CG2-CE 4.47Å; A221-M236 HydrophobicContact CB-CE 3.26Å; R223-M236 HydrophobicContact CG-CE 4.06Å; L228-M236 HydrophobicContact CD2-SD 4.24Å; S232-M236 VanDerWaalsContact O-CG 3.24Å; S232-M236 WeakPolarHBondContact O-CG 3.38Å; S232-M236 PolarHBondContact O-N 3.23Å; L233-M236 WeakPolarHBondContact O-CB 3.38Å; L233-M236 PolarHBondContact O-N 3.41Å; L233-M236 VanDerWaalsContact O-N 3.11Å; I234-M236 PolarHBondContact O-N 3.44Å
237M85.3Confident91.2Very high16 Ų1643 Ų438%0.07923%0.229CC..Hα-helixtrans-76.8-32.7-178.5-71.9169.859.200112.9V36 M201 V213 R215 L233 I234V36-M237 HydrophobicContact CB-CE 4.24Å; V36-M237 HydrophobicContact CB-CG 4.37Å; V36-M237 HydrophobicContact CB-SD 3.85Å; V36-M237 HydrophobicContact CG2-CG 3.81Å; V36-M237 HydrophobicContact CG2-SD 3.76Å; M201-M237 HydrophobicContact CE-CE 4.38Å; M201-M237 HydrophobicContact CE-SD 4.35Å; V213-M237 HydrophobicContact CG1-CB 4.4Å; V213-M237 HydrophobicContact CG1-CG 3.78Å; R215-M237 WeakPolarHBondContact CD-O 3.06Å; R215-M237 WeakPolarHBondContact CG-O 3.16Å; L233-M237 HydrophobicContact CG-SD 4.15Å; L233-M237 WeakPolarHBondContact O-CG 3.1Å; L233-M237 PolarHBondContact O-N 3.26Å; I234-M237 PolarHBondContact O-N 3.22Å
238V83.5Confident91.2Very high7 Ų740.5 Ų40.54%0.04221%0.212CC..SBendtrans-126.9150.9-169.3-38.30000110.4E38 R215 I234 E235 I240 R260E38-V238 HydrophobicContact CG-CB 4.5Å; E38-V238 HydrophobicContact CG-CG1 3.69Å; E38-V238 WeakPolarHBondContact OE1-CB 3.36Å; E38-V238 WeakPolarHBondContact OE1-CG1 3.45Å; R215-V238 PolarHBondContact NH1-O 3.31Å; I234-V238 HydrophobicContact CG2-CG2 4.15Å; I234-V238 WeakPolarHBondContact O-CG2 3.42Å; I234-V238 PolarHBondContact O-N 3.37Å; E235-V238 VanDerWaalsContact O-O 3.04Å; V238-I240 HydrophobicContact CG2-CD1 4.18Å; V238-I240 HydrophobicContact CG2-CG1 3.45Å; V238-I240 VanDerWaalsContact CG2-CG1 3.45Å; V238-I240 PolarHBondContact O-N 2.76Å; V238-R260 HydrophobicContact CB-CG 4.22Å; V238-R260 HydrophobicContact CG2-CG 4.16Å
239D85.5Confident91.2Very high67 Ų6740 Ų4036%0.35821%0.213SC..  trans-91.1100171.3-160.1-8000109.2R241 R260 K261D239-R241 PolarHBondContact O-N 3.01Å; D239-R260 CarbonylContact O-C 3.56Å; D239-R260 VanDerWaalsContact O-CA 3.3Å; D239-R260 WeakPolarHBondContact O-CA 3.32Å; D239-K261 HydrophobicContact CB-CB 4.33Å; D239-K261 HydrophobicContact CB-CD 4.34Å; D239-K261 HydrophobicContact CB-CG 4.29Å; D239-K261 PolarHBondContact O-N 3.09Å; D239-K261 WeakPolarHBondContact OD1-CE 3.43Å; D239-K261 IonicContact OD1-NZ 3.97Å; D239-K261 PolarHBondContact OD1-NZ 2.76Å; D239-K261 VanDerWaalsContact OD2-CD 3.28Å; D239-K261 WeakPolarHBondContact OD2-CD 3.46Å; D239-K261 WeakPolarHBondContact OD2-CE 3.42Å; D239-K261 IonicContact OD2-NZ 2.85Å; D239-K261 PolarHBondContact OD2-NZ 2.73Å
240I90.7Very high91.4Very high23 Ų2339.1 Ų39.112%0.11821%0.209CC..EExtended strand (participates in β ladder)trans-76.5122.2-176.5-59.3-174.7000110E235 V238 L242 K243 T258E235-I240 HydrophobicContact CB-CD1 4.47Å; E235-I240 HydrophobicContact CG-CD1 3.53Å; V238-I240 HydrophobicContact CG2-CD1 4.18Å; V238-I240 HydrophobicContact CG2-CG1 3.45Å; V238-I240 VanDerWaalsContact CG2-CG1 3.45Å; V238-I240 PolarHBondContact O-N 2.76Å; I240-L242 WeakPolarHBondContact CG2-O 3.45Å; I240-K243 HydrophobicContact CG2-CB 3.97Å; I240-T258 HydrophobicContact CD1-CG2 3.91Å
241R95.5Very high91.7Very high39 Ų3936.3 Ų36.315%0.14721%0.207CC..EExtended strand (participates in β ladder)trans-79.8-51.9169.3177.962.672.6-176.35111.1D239 L259 K261 L295 D296 V395 S426D239-R241 PolarHBondContact O-N 3.01Å; R241-L259 WeakPolarHBondContact CA-O 3.41Å; R241-L259 WeakPolarHBondContact CB-O 3.45Å; R241-L259 PolarHBondContact N-O 2.91Å; R241-K261 HydrophobicContact CB-CG 3.94Å; R241-L295 HydrophobicContact CG-CD1 4.18Å; R241-L295 CarbonylContact O-C 3.11Å; R241-L295 WeakPolarHBondContact O-CA 3.35Å; R241-L295 WeakPolarHBondContact O-CD1 3.17Å; R241-D296 WeakPolarHBondContact CD-OD1 3.24Å; R241-D296 IonicContact CZ-OD1 2.67Å; R241-D296 IonicContact NE-OD1 2.69Å; R241-D296 IonicContact NH1-OD1 2.73Å; R241-D296 PolarHBondContact NH1-OD1 3.49Å; R241-D296 IonicContact NH1-OD2 3.6Å; R241-D296 PolarHBondContact NH1-OD2 3.31Å; R241-D296 PolarHBondContact O-N 3.14Å; R241-V395 HydrophobicContact CG-CG2 3.54Å; R241-S426 WeakPolarHBondContact CB-OG 3.42Å; R241-S426 WeakPolarHBondContact CG-OG 3.49Å
242L96.9Very high92.4Very high1 Ų132.4 Ų32.41%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-135130.7-175.6-175.986.8000108.4I240 V244 T258 L259 L282 V293 T294 L295 I313 V395 I428I240-L242 WeakPolarHBondContact CG2-O 3.45Å; L242-V244 HydrophobicContact CD2-CG2 4.03Å; L242-V244 HydrophobicContact CG-CG2 4.3Å; L242-T258 CarbonylContact O-C 3.47Å; L242-T258 WeakPolarHBondContact O-CA 3.38Å; L242-L259 HydrophobicContact CB-CB 4.12Å; L242-L259 HydrophobicContact CB-CD2 4.31Å; L242-L259 PolarHBondContact N-O 3.36Å; L242-L259 PolarHBondContact O-N 3.04Å; L242-L282 HydrophobicContact CD2-CD1 4.46Å; L242-V293 HydrophobicContact CD1-CG1 3.55Å; L242-V293 HydrophobicContact CG-CG1 4.25Å; L242-T294 CarbonylContact C-O 3.57Å; L242-T294 VanDerWaalsContact CA-O 3.3Å; L242-T294 WeakPolarHBondContact CA-O 3.29Å; L242-L295 HydrophobicContact CB-CD1 4.26Å; L242-L295 HydrophobicContact CD1-CB 4.35Å; L242-L295 HydrophobicContact CD1-CD1 3.72Å; L242-I313 HydrophobicContact CD1-CD1 4.12Å; L242-V395 HydrophobicContact CB-CG2 4.28Å; L242-I428 HydrophobicContact CD2-CD1 4.22Å
243K95.9Very high92.7Very high30 Ų3034.2 Ų34.213%0.1319%0.194CC..EExtended strand (participates in β ladder)trans-120.2130169.5167172.2175.7170.10109D231 E235 I240 T258 V293 T294D231-K243 IonicContact OD2-NZ 2.85Å; E235-K243 IonicContact OE1-NZ 3.13Å; E235-K243 PolarHBondContact OE1-NZ 2.98Å; I240-K243 HydrophobicContact CG2-CB 3.97Å; K243-T258 HydrophobicContact CB-CG2 4.14Å; K243-T258 HydrophobicContact CD-CG2 4.43Å; K243-T258 HydrophobicContact CG-CG2 4.13Å; K243-V293 CarbonylContact O-C 3.44Å; K243-V293 WeakPolarHBondContact O-CA 3.35Å; K243-T294 WeakPolarHBondContact CB-OG1 3.2Å; K243-T294 PolarHBondContact N-O 2.94Å; K243-T294 PolarHBondContact O-N 3.34Å
244V96.9Very high92.9Very high2 Ų238.5 Ų38.51%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-113.5127.3178-178.70000106.6L242 L247 S256 F257 L282 V293L242-V244 HydrophobicContact CD2-CG2 4.03Å; L242-V244 HydrophobicContact CG-CG2 4.3Å; V244-L247 HydrophobicContact CG1-CB 3.56Å; V244-L247 HydrophobicContact CG1-CD1 4.23Å; V244-L247 HydrophobicContact CG1-CD2 4.12Å; V244-L247 HydrophobicContact CG1-CG 4.19Å; V244-S256 CarbonylContact O-C 3.6Å; V244-S256 WeakPolarHBondContact O-CA 3.49Å; V244-F257 HydrophobicContact CB-CD1 3.86Å; V244-F257 HydrophobicContact CB-CE1 3.75Å; V244-F257 HydrophobicContact CB-CG 4.39Å; V244-F257 HydrophobicContact CB-CZ 4.21Å; V244-F257 HydrophobicContact CG1-CD1 4.21Å; V244-F257 HydrophobicContact CG1-CE1 3.95Å; V244-F257 HydrophobicContact CG2-CD1 4.16Å; V244-F257 HydrophobicContact CG2-CE1 3.61Å; V244-F257 HydrophobicContact CG2-CE2 4.06Å; V244-F257 HydrophobicContact CG2-CZ 3.57Å; V244-F257 PolarHBondContact N-O 3.18Å; V244-F257 PolarHBondContact O-N 3.37Å; V244-L282 HydrophobicContact CG1-CD2 4.21Å; V244-L282 HydrophobicContact CG2-CD1 4.42Å; V244-L282 HydrophobicContact CG2-CD2 3.59Å; V244-V293 HydrophobicContact CG1-CG2 4.49Å; V244-V293 HydrophobicContact CG2-CG1 4.49Å; V244-V293 HydrophobicContact CG2-CG2 4.42Å
245D94.9Very high93.5Very high49 Ų4936 Ų3626%0.26220%0.204SC..EExtended strand (participates in β ladder)trans-132.3117.2-171.7-155.3-25.8000110.5L247 G291 Y292D245-L247 PolarHBondContact O-N 2.74Å; D245-L247 VanDerWaalsContact O-N 3.16Å; D245-G291 CarbonylContact O-C 3.49Å; D245-G291 WeakPolarHBondContact O-CA 3.29Å; D245-Y292 PolarHBondContact N-O 3Å; D245-Y292 PolarHBondContact O-N 3.29Å
246N96.1Very high94Very high77 Ų7734 Ų3441%0.41220%0.2SC..EExtended strand (participates in β ladder)trans46.643.1179.8-55.9123.8000113.6C248 D254 S256 G291N246-C248 PolarHBondContact O-N 3.1Å; N246-D254 WeakPolarHBondContact CA-OD1 3.39Å; N246-D254 WeakPolarHBondContact CB-OD1 3.42Å; N246-D254 PolarHBondContact ND2-OD1 2.99Å; N246-S256 PolarHBondContact N-OG 3.15Å; N246-G291 WeakPolarHBondContact O-CA 3.39Å; N246-G291 PolarHBondContact O-N 2.91Å
247L96.7Very high94.3Very high4 Ų432.8 Ų32.82%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-69124.5-175.5-166.288.9000110.4V244 D245 V252 D254 V255 L278 L282 R288 V293V244-L247 HydrophobicContact CG1-CB 3.56Å; V244-L247 HydrophobicContact CG1-CD1 4.23Å; V244-L247 HydrophobicContact CG1-CD2 4.12Å; V244-L247 HydrophobicContact CG1-CG 4.19Å; D245-L247 PolarHBondContact O-N 2.74Å; D245-L247 VanDerWaalsContact O-N 3.16Å; L247-V252 HydrophobicContact CD2-CG1 4.34Å; L247-D254 PolarHBondContact O-N 3.06Å; L247-V255 WeakPolarHBondContact CB-O 3.42Å; L247-V255 PolarHBondContact N-O 3.4Å; L247-V255 PolarHBondContact O-N 3.31Å; L247-L278 HydrophobicContact CD2-CD1 3.42Å; L247-L278 VanDerWaalsContact CD2-CD1 3.42Å; L247-L282 HydrophobicContact CD2-CD2 4.09Å; L247-R288 HydrophobicContact CD1-CG 3.86Å; L247-V293 HydrophobicContact CD1-CG2 3.75Å
248C97.7Very high94.8Very high26 Ų2633.1 Ų33.118%0.17620%0.197CC..EExtended strand (participates in β ladder)trans-122.3149.2171.5-60.70000111.3N246 V252 D254 R288 T289 S290N246-C248 PolarHBondContact O-N 3.1Å; C248-V252 CarbonylContact C-O 3.58Å; C248-V252 WeakPolarHBondContact CA-O 3.29Å; C248-D254 PolarHBondContact SG-N 2.93Å; C248-R288 CarbonylContact O-C 3.59Å; C248-R288 WeakPolarHBondContact O-CA 3.37Å; C248-T289 VanDerWaalsContact C-OG1 3.26Å; C248-T289 VanDerWaalsContact CB-OG1 3.29Å; C248-T289 WeakPolarHBondContact CB-OG1 3.35Å; C248-T289 PolarHBondContact O-N 2.94Å; C248-T289 PolarHBondContact O-OG1 3.2Å; C248-S290 WeakPolarHBondContact CB-OG 3.34Å; C248-S290 PolarHBondContact N-O 3.44Å; C248-S290 PolarHBondContact SG-OG 2.84Å
249G96Very high95.4Very high16 Ų1632.8 Ų32.817%0.16520%0.195CC..EExtended strand (participates in β ladder)trans179.7-173.6177.500000111.9G251 V252G249-G251 PolarHBondContact O-N 3.37Å; G249-V252 PolarHBondContact N-O 2.99Å; G249-V252 PolarHBondContact O-N 2.73Å
250P95.4Very high95.8Very high67 Ų6732.7 Ų32.744%0.43519%0.19SC..THydrogen-bonded Turntrans-56.9114176.2-24.134.3000111.4V252 E277 P287P250-V252 VanDerWaalsContact C-N 3.31Å; P250-V252 PolarHBondContact O-N 3.3Å; P250-E277 WeakPolarHBondContact O-CB 3.3Å; P250-P287 WeakPolarHBondContact CD-O 3.23Å; P250-P287 HydrophobicContact CG-CG 4.33Å
251G95.3Very high95.9Very high44 Ų4435.5 Ų35.545%0.45420%0.201SC..THydrogen-bonded Turntrans77.88-179.400000115.5G249 G274 G450G249-G251 PolarHBondContact O-N 3.37Å; G251-G274 WeakPolarHBondContact O-CA 3.46Å; G251-G450 WeakPolarHBondContact O-CA 3.02Å
252V97.5Very high95.8Very high4 Ų434.5 Ų34.52%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-133.9123.9-178.4-175.40000109.2L247 C248 G249 P250 V255 E277 L278L247-V252 HydrophobicContact CD2-CG1 4.34Å; C248-V252 CarbonylContact C-O 3.58Å; C248-V252 WeakPolarHBondContact CA-O 3.29Å; G249-V252 PolarHBondContact N-O 2.99Å; G249-V252 PolarHBondContact O-N 2.73Å; P250-V252 VanDerWaalsContact C-N 3.31Å; P250-V252 PolarHBondContact O-N 3.3Å; V252-V255 HydrophobicContact CG1-CB 3.93Å; V252-V255 HydrophobicContact CG1-CG2 3.6Å; V252-E277 HydrophobicContact CG2-CB 3.93Å; V252-L278 HydrophobicContact CG1-CD1 3.92Å; V252-L278 HydrophobicContact CG2-CB 3.94Å
253N96.7Very high95.7Very high70 Ų7035 Ų3537%0.37420%0.204SC..EExtended strand (participates in β ladder)trans-129.4108.9-172.9-59.5-52.6000109.4V255 G450 H451N253-V255 PolarHBondContact O-N 3.01Å; N253-G450 PolarHBondContact N-O 3.34Å; N253-H451 WeakPolarHBondContact CB-CE1 3.41Å; N253-H451 WeakPolarHBondContact CB-NE2 3.5Å; N253-H451 PolarHBondContact O-CE1 3.05Å; N253-H451 PolarHBondContact O-ND1 2.78Å
254D95.9Very high95.8Very high90 Ų9033.5 Ų33.548%0.48120%0.198SC..EExtended strand (participates in β ladder)trans52.755172.1-165.422.6000113.8N246 L247 C248N246-D254 WeakPolarHBondContact CA-OD1 3.39Å; N246-D254 WeakPolarHBondContact CB-OD1 3.42Å; N246-D254 PolarHBondContact ND2-OD1 2.99Å; L247-D254 PolarHBondContact O-N 3.06Å; C248-D254 PolarHBondContact SG-N 2.93Å
255V97Very high95.8Very high0 Ų033.4 Ų33.40%020%0.198CC..EExtended strand (participates in β ladder)trans-96.8122.5-178.6173.30000110.6L247 V252 N253 F257 L278 M447 G450 L452L247-V255 WeakPolarHBondContact CB-O 3.42Å; L247-V255 PolarHBondContact N-O 3.4Å; L247-V255 PolarHBondContact O-N 3.31Å; V252-V255 HydrophobicContact CG1-CB 3.93Å; V252-V255 HydrophobicContact CG1-CG2 3.6Å; N253-V255 PolarHBondContact O-N 3.01Å; V255-F257 HydrophobicContact CG1-CD1 3.88Å; V255-F257 HydrophobicContact CG1-CE1 4.27Å; V255-L278 HydrophobicContact CB-CD1 4.39Å; V255-L278 HydrophobicContact CG1-CD1 4.01Å; V255-L278 HydrophobicContact CG1-CD2 4.01Å; V255-M447 HydrophobicContact CG2-CE 4.07Å; V255-M447 HydrophobicContact CG2-SD 4.21Å; V255-G450 VanDerWaalsContact CG2-O 3.31Å; V255-G450 WeakPolarHBondContact CG2-O 3.09Å; V255-L452 HydrophobicContact CG1-CD1 4.46Å
256S95.6Very high96Very high48 Ų4831.1 Ų31.134%0.33619%0.185SC..EExtended strand (participates in β ladder)trans-121.3133.5171.9-620000110.6V244 N246V244-S256 CarbonylContact O-C 3.6Å; V244-S256 WeakPolarHBondContact O-CA 3.49Å; N246-S256 PolarHBondContact N-OG 3.15Å
257F95.7Very high96.1Very high8 Ų827.4 Ų27.44%0.03517%0.166CC..EExtended strand (participates in β ladder)trans-162.7166.1171.969.8-87.4000111.1V244 V255 L265 L278 L282 I428 I445 L452V244-F257 HydrophobicContact CB-CD1 3.86Å; V244-F257 HydrophobicContact CB-CE1 3.75Å; V244-F257 HydrophobicContact CB-CG 4.39Å; V244-F257 HydrophobicContact CB-CZ 4.21Å; V244-F257 HydrophobicContact CG1-CD1 4.21Å; V244-F257 HydrophobicContact CG1-CE1 3.95Å; V244-F257 HydrophobicContact CG2-CD1 4.16Å; V244-F257 HydrophobicContact CG2-CE1 3.61Å; V244-F257 HydrophobicContact CG2-CE2 4.06Å; V244-F257 HydrophobicContact CG2-CZ 3.57Å; V244-F257 PolarHBondContact N-O 3.18Å; V244-F257 PolarHBondContact O-N 3.37Å; V255-F257 HydrophobicContact CG1-CD1 3.88Å; V255-F257 HydrophobicContact CG1-CE1 4.27Å; F257-L265 HydrophobicContact CD2-CD2 3.46Å; F257-L265 VanDerWaalsContact CD2-CD2 3.46Å; F257-L265 HydrophobicContact CE2-CD2 3.64Å; F257-L265 HydrophobicContact CG-CD2 4.49Å; F257-L278 HydrophobicContact CE1-CD1 4.22Å; F257-L278 HydrophobicContact CE1-CD2 3.95Å; F257-L278 HydrophobicContact CE1-CG 4.39Å; F257-L282 HydrophobicContact CE1-CD1 4.35Å; F257-L282 HydrophobicContact CZ-CD1 3.78Å; F257-I428 HydrophobicContact CE2-CD1 4.17Å; F257-I428 HydrophobicContact CZ-CD1 4.32Å; F257-I445 HydrophobicContact CB-CD1 4.38Å; F257-I445 HydrophobicContact CD1-CD1 4.16Å; F257-I445 HydrophobicContact CD2-CD1 4.3Å; F257-I445 HydrophobicContact CG-CD1 4.03Å; F257-L452 HydrophobicContact CB-CD1 4.16Å
258T95.2Very high96.1Very high24 Ų2427.5 Ų27.515%0.14717%0.167CC..EExtended strand (participates in β ladder)trans-120.5151.4173.361.70000110.7I240 L242 K243 R443I240-T258 HydrophobicContact CD1-CG2 3.91Å; L242-T258 CarbonylContact O-C 3.47Å; L242-T258 WeakPolarHBondContact O-CA 3.38Å; K243-T258 HydrophobicContact CB-CG2 4.14Å; K243-T258 HydrophobicContact CD-CG2 4.43Å; K243-T258 HydrophobicContact CG-CG2 4.13Å; T258-R443 PolarHBondContact O-NH1 2.84Å
259L96.7Very high95.9Very high0 Ų026.7 Ų26.70%016%0.162CC..EExtended strand (participates in β ladder)trans-122.8125.9169.2168.870.9000107.2R241 L242 E263 L265 V395 I428R241-L259 WeakPolarHBondContact CA-O 3.41Å; R241-L259 WeakPolarHBondContact CB-O 3.45Å; R241-L259 PolarHBondContact N-O 2.91Å; L242-L259 HydrophobicContact CB-CB 4.12Å; L242-L259 HydrophobicContact CB-CD2 4.31Å; L242-L259 PolarHBondContact N-O 3.36Å; L242-L259 PolarHBondContact O-N 3.04Å; L259-E263 HydrophobicContact CD1-CB 4.26Å; L259-L265 HydrophobicContact CB-CD2 4.45Å; L259-L265 HydrophobicContact CD1-CB 3.61Å; L259-V395 HydrophobicContact CD2-CG1 3.77Å; L259-V395 HydrophobicContact CD2-CG2 4.01Å; L259-I428 HydrophobicContact CD1-CG1 4.4Å; L259-I428 HydrophobicContact CD2-CD1 4.17Å; L259-I428 HydrophobicContact CD2-CG1 3.77Å
260R93.9Very high95.7Very high65 Ų6529.6 Ų29.625%0.24517%0.173CC..EExtended strand (participates in β ladder)trans-83.6161-179-54.7163.7-175.5-178.47.7111E38 V238 D239 G262 E263 S426E38-R260 WeakPolarHBondContact OE1-CD 3.37Å; E38-R260 IonicContact OE1-CZ 3.21Å; E38-R260 IonicContact OE1-NE 2.59Å; E38-R260 PolarHBondContact OE1-NE 3.34Å; E38-R260 VanDerWaalsContact OE1-NE 3.12Å; E38-R260 IonicContact OE1-NH1 2.75Å; E38-R260 PolarHBondContact OE1-NH1 2.97Å; E38-R260 IonicContact OE1-NH2 2.85Å; E38-R260 IonicContact OE2-CZ 3.41Å; E38-R260 IonicContact OE2-NH1 2.8Å; E38-R260 PolarHBondContact OE2-NH1 3.4Å; V238-R260 HydrophobicContact CB-CG 4.22Å; V238-R260 HydrophobicContact CG2-CG 4.16Å; D239-R260 CarbonylContact O-C 3.56Å; D239-R260 VanDerWaalsContact O-CA 3.3Å; D239-R260 WeakPolarHBondContact O-CA 3.32Å; R260-G262 PolarHBondContact O-N 2.82Å; R260-E263 HydrophobicContact CB-CB 3.9Å; R260-E263 VanDerWaalsContact CB-OE2 3.23Å; R260-E263 WeakPolarHBondContact CB-OE2 3.38Å; R260-E263 VanDerWaalsContact CG-OE2 3.25Å; R260-E263 WeakPolarHBondContact CG-OE2 3.48Å; R260-E263 PolarHBondContact N-OE2 3.44Å; R260-E263 PolarHBondContact O-N 3.12Å; R260-S426 WeakPolarHBondContact O-CB 3.22Å; R260-S426 PolarHBondContact O-OG 2.87Å
261K93.2Very high95.4Very high82 Ų8235.4 Ų35.436%0.35720%0.197SC..THydrogen-bonded Turntrans-66.1126.7174.1-68.8-164.2-166.3143.30109.9D239 R241 E263 D296 S426D239-K261 HydrophobicContact CB-CB 4.33Å; D239-K261 HydrophobicContact CB-CD 4.34Å; D239-K261 HydrophobicContact CB-CG 4.29Å; D239-K261 PolarHBondContact O-N 3.09Å; D239-K261 WeakPolarHBondContact OD1-CE 3.43Å; D239-K261 IonicContact OD1-NZ 3.97Å; D239-K261 PolarHBondContact OD1-NZ 2.76Å; D239-K261 VanDerWaalsContact OD2-CD 3.28Å; D239-K261 WeakPolarHBondContact OD2-CD 3.46Å; D239-K261 WeakPolarHBondContact OD2-CE 3.42Å; D239-K261 IonicContact OD2-NZ 2.85Å; D239-K261 PolarHBondContact OD2-NZ 2.73Å; R241-K261 HydrophobicContact CB-CG 3.94Å; K261-E263 VanDerWaalsContact C-N 3.28Å; K261-E263 PolarHBondContact O-N 3.07Å; K261-D296 WeakPolarHBondContact CE-OD1 3.39Å; K261-S426 VanDerWaalsContact CA-OG 3.29Å; K261-S426 WeakPolarHBondContact CA-OG 3.45Å
262G93.1Very high95.2Very high17 Ų1736.8 Ų36.818%0.17521%0.211CC..THydrogen-bonded Turntrans71.217.4179.800000115.1R260 K421 S426R260-G262 PolarHBondContact O-N 2.82Å; G262-K421 WeakPolarHBondContact O-CE 3.34Å; G262-K421 WeakPolarHBondContact O-CG 3.47Å; G262-S426 PolarHBondContact N-OG 2.82Å; G262-S426 VanDerWaalsContact N-OG 3.12Å
263E94.5Very high95.1Very high11 Ų1136.8 Ų36.85%0.05121%0.212CC..  trans-95.5149.2176.5-173.7-167-176.400111.3L259 R260 K261 I427 D442 R443L259-E263 HydrophobicContact CD1-CB 4.26Å; R260-E263 HydrophobicContact CB-CB 3.9Å; R260-E263 VanDerWaalsContact CB-OE2 3.23Å; R260-E263 WeakPolarHBondContact CB-OE2 3.38Å; R260-E263 VanDerWaalsContact CG-OE2 3.25Å; R260-E263 WeakPolarHBondContact CG-OE2 3.48Å; R260-E263 PolarHBondContact N-OE2 3.44Å; R260-E263 PolarHBondContact O-N 3.12Å; K261-E263 VanDerWaalsContact C-N 3.28Å; K261-E263 PolarHBondContact O-N 3.07Å; E263-I427 PolarHBondContact O-N 2.75Å; E263-D442 HydrophobicContact CG-CB 3.82Å; E263-R443 WeakPolarHBondContact OE1-CB 3.38Å; E263-R443 IonicContact OE1-NE 3.56Å; E263-R443 PolarHBondContact OE1-NE 2.78Å; E263-R443 VanDerWaalsContact OE1-NE 3.15Å
264I97.7Very high95Very high0 Ų033.6 Ų33.60%020%0.195CC..EExtended strand (participates in β ladder)trans-99.2107.2158.8-60.6166.4000108.7I417 K421 I427 L429 M440 D442I264-I417 HydrophobicContact CD1-CG2 3.61Å; I264-I417 HydrophobicContact CG1-CG2 4.32Å; I264-K421 HydrophobicContact CD1-CB 4.19Å; I264-K421 HydrophobicContact CD1-CD 3.73Å; I264-K421 HydrophobicContact CD1-CG 4.26Å; I264-K421 HydrophobicContact CG1-CB 4.23Å; I264-K421 HydrophobicContact CG1-CD 3.86Å; I264-K421 HydrophobicContact CG1-CG 4.06Å; I264-I427 CarbonylContact C-O 3.51Å; I264-I427 WeakPolarHBondContact CA-O 3.39Å; I264-I427 HydrophobicContact CG1-CB 4.11Å; I264-I427 HydrophobicContact CG1-CD1 4.38Å; I264-L429 HydrophobicContact CG2-CB 3.94Å; I264-L429 HydrophobicContact CG2-CD2 4.36Å; I264-M440 HydrophobicContact CD1-CE 4.26Å; I264-M440 WeakPolarHBondContact CD1-O 3.2Å; I264-D442 PolarHBondContact N-OD2 3.43Å; I264-D442 PolarHBondContact O-N 3.47Å
265L98.2Very high95Very high0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-88.3113.2170.9-179.359.1000110.1F257 L259 I427 I428 L429 R443 I445F257-L265 HydrophobicContact CD2-CD2 3.46Å; F257-L265 VanDerWaalsContact CD2-CD2 3.46Å; F257-L265 HydrophobicContact CE2-CD2 3.64Å; F257-L265 HydrophobicContact CG-CD2 4.49Å; L259-L265 HydrophobicContact CB-CD2 4.45Å; L259-L265 HydrophobicContact CD1-CB 3.61Å; L265-I427 PolarHBondContact N-O 2.86Å; L265-I428 CarbonylContact O-C 3.57Å; L265-I428 WeakPolarHBondContact O-CA 3.31Å; L265-L429 PolarHBondContact O-N 3.4Å; L265-R443 HydrophobicContact CD1-CB 4.26Å; L265-I445 HydrophobicContact CD1-CG1 4.34Å; L265-I445 HydrophobicContact CD1-CG2 4.15Å; L265-I445 HydrophobicContact CD2-CD1 4.26Å; L265-I445 HydrophobicContact CD2-CG1 4.49Å; L265-I445 HydrophobicContact CG-CG1 4.4Å
266G98.1Very high95Very high0 Ų031 Ų310%018%0.181CC..EExtended strand (participates in β ladder)trans-76.2137.6172.700000111.9L429 S441 R443 I444 I445G266-L429 CarbonylContact C-O 3.59Å; G266-L429 WeakPolarHBondContact CA-O 3.48Å; G266-S441 WeakPolarHBondContact CA-OG 3.23Å; G266-S441 PolarHBondContact N-OG 2.77Å; G266-R443 PolarHBondContact N-O 3.34Å; G266-I444 CarbonylContact O-C 3.55Å; G266-I444 WeakPolarHBondContact O-CA 3.3Å; G266-I445 WeakPolarHBondContact O-CG1 3.34Å; G266-I445 PolarHBondContact O-N 3.46Å
267V98Very high95Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-122.2107.7173.7-172.50000108.9R275 M279 I428 L429 V430 S431 I445 M447V267-R275 HydrophobicContact CG1-CB 4.29Å; V267-R275 HydrophobicContact CG1-CG 4.15Å; V267-M279 HydrophobicContact CB-CE 4.48Å; V267-M279 HydrophobicContact CG1-CE 4.23Å; V267-M279 HydrophobicContact CG2-CE 3.91Å; V267-I428 HydrophobicContact CG2-CG2 3.46Å; V267-I428 VanDerWaalsContact CG2-CG2 3.46Å; V267-L429 PolarHBondContact N-O 3.18Å; V267-V430 HydrophobicContact CB-CB 4.45Å; V267-V430 HydrophobicContact CB-CG1 4.42Å; V267-V430 HydrophobicContact CB-CG2 4.08Å; V267-V430 HydrophobicContact CG2-CG2 4.41Å; V267-S431 PolarHBondContact O-N 2.94Å; V267-I445 WeakPolarHBondContact CA-O 3.25Å; V267-I445 HydrophobicContact CB-CG1 4.33Å; V267-I445 HydrophobicContact CG1-CD1 4.4Å; V267-I445 HydrophobicContact CG1-CG1 4.28Å; V267-I445 HydrophobicContact CG2-CD1 3.94Å; V267-I445 HydrophobicContact CG2-CG1 3.84Å; V267-M447 HydrophobicContact CG1-CG 4.06Å
268S96.2Very high95.1Very high6 Ų631.7 Ų31.74%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-108.9171.8178.8-168.20000111.2I445 V446 M447S268-I445 PolarHBondContact N-O 2.81Å; S268-V446 WeakPolarHBondContact O-CA 3.46Å; S268-M447 PolarHBondContact O-N 2.93Å
269G93.8Very high95.2Very high8 Ų830.5 Ų30.58%0.08217%0.172CC..EExtended strand (participates in β ladder)trans146.8161.8-177.300000111.8R275 M447G269-R275 PolarHBondContact O-NE 3.35Å; G269-M447 WeakPolarHBondContact CA-O 3.14Å
270L92.1Very high95.1Very high77 Ų7733.1 Ų33.140%0.40318%0.183SC..  trans-67.9163.8176.9-62.5179.3000111.6G272 A273 M467 A470 V471L270-G272 PolarHBondContact O-N 3.14Å; L270-A273 WeakPolarHBondContact O-CB 3.2Å; L270-A273 PolarHBondContact O-N 3.11Å; L270-M467 HydrophobicContact CD2-SD 4.21Å; L270-A470 HydrophobicContact CD2-CB 4.48Å; L270-A470 HydrophobicContact CG-CB 4.12Å; L270-V471 HydrophobicContact CD1-CG1 3.96Å
271M89.5Confident95.2Very high190 Ų19030.5 Ų30.594%0.93618%0.176SC*.THydrogen-bonded Turntrans-58.2130.1171.5-169.5176.2-177.900109.7A273M271-A273 VanDerWaalsContact C-N 3.35Å
272G90.7Very high95.4Very high72 Ų7226.6 Ų26.674%0.74216%0.159SC*.THydrogen-bonded Turntrans82.45.1-175.900000115.1L270 G274L270-G272 PolarHBondContact O-N 3.14Å; G272-G274 PolarHBondContact O-N 3.05Å; G272-G274 VanDerWaalsContact O-N 3.15Å
273A94.7Very high95.5Very high5 Ų527.5 Ų27.54%0.04116%0.157CC..SBendtrans-70.1-417900000115.1L270 M271 M447 G450L270-A273 WeakPolarHBondContact O-CB 3.2Å; L270-A273 PolarHBondContact O-N 3.11Å; M271-A273 VanDerWaalsContact C-N 3.35Å; A273-M447 HydrophobicContact CB-CB 3.99Å; A273-M447 WeakPolarHBondContact CB-O 3.32Å; A273-G450 WeakPolarHBondContact O-CA 3.2Å; A273-G450 PolarHBondContact O-N 3.39Å
274G95.6Very high95.5Very high2 Ų227.1 Ų27.12%0.02116%0.157CC..SBendtrans94.310.7-178.800000115.2G251 G272 E277 L278G251-G274 WeakPolarHBondContact O-CA 3.46Å; G272-G274 PolarHBondContact O-N 3.05Å; G272-G274 VanDerWaalsContact O-N 3.15Å; G274-E277 VanDerWaalsContact CA-OE2 3.32Å; G274-E277 WeakPolarHBondContact CA-OE2 3.34Å; G274-L278 VanDerWaalsContact O-CB 3.28Å; G274-L278 WeakPolarHBondContact O-CB 3.31Å; G274-L278 PolarHBondContact O-N 3.28Å
275R96.5Very high95.4Very high18 Ų1829.4 Ų29.47%0.06818%0.176CC..Hα-helixtrans-61.3-53.8-177.2-58.7176.8-66.714812.8112.2V267 G269 L278 M279 E400 V430 S431 M447V267-R275 HydrophobicContact CG1-CB 4.29Å; V267-R275 HydrophobicContact CG1-CG 4.15Å; G269-R275 PolarHBondContact O-NE 3.35Å; R275-L278 WeakPolarHBondContact O-CB 3.33Å; R275-L278 PolarHBondContact O-N 3.04Å; R275-M279 WeakPolarHBondContact O-CG 3.4Å; R275-M279 PolarHBondContact O-N 3.04Å; R275-E400 IonicContact CZ-OE1 2.74Å; R275-E400 IonicContact NH1-OE1 3.89Å; R275-E400 PolarHBondContact NH1-OE1 2.85Å; R275-E400 VanDerWaalsContact NH1-OE1 3.13Å; R275-E400 IonicContact NH2-OE1 2.6Å; R275-E400 PolarHBondContact NH2-OE1 3.46Å; R275-E400 VanDerWaalsContact NH2-OE1 3.08Å; R275-V430 HydrophobicContact CB-CG1 3.69Å; R275-V430 HydrophobicContact CG-CG1 4.44Å; R275-S431 PolarHBondContact NH1-O 3.16Å; R275-M447 HydrophobicContact CG-CB 3.89Å; R275-M447 HydrophobicContact CG-CG 4.04Å
276T95.4Very high95.2Very high19 Ų1931.8 Ų31.812%0.11719%0.188CC..Hα-helixtrans-68.4-38.1-179.7-63.30000111.1M279 K280 D399T276-M279 PolarHBondContact O-N 2.86Å; T276-K280 HydrophobicContact CG2-CD 3.96Å; T276-K280 HydrophobicContact CG2-CG 4.38Å; T276-K280 WeakPolarHBondContact O-CB 2.97Å; T276-K280 WeakPolarHBondContact O-CG 3.45Å; T276-K280 PolarHBondContact O-N 3.44Å; T276-D399 WeakPolarHBondContact CG2-OD2 3.41Å; T276-D399 PolarHBondContact OG1-OD2 3.38Å; T276-D399 VanDerWaalsContact OG1-OD2 3.09Å
277E96.2Very high95.1Very high69 Ų6935.9 Ų35.932%0.32222%0.215SC..Hα-helixtrans-61.1-44.4176.4-70.668.1-15100111.5P250 V252 G274 M279 K280 G281 L286P250-E277 WeakPolarHBondContact O-CB 3.3Å; V252-E277 HydrophobicContact CG2-CB 3.93Å; G274-E277 VanDerWaalsContact CA-OE2 3.32Å; G274-E277 WeakPolarHBondContact CA-OE2 3.34Å; E277-M279 PolarHBondContact O-N 3.4Å; E277-K280 PolarHBondContact O-N 3.15Å; E277-G281 PolarHBondContact O-N 3.4Å; E277-L286 HydrophobicContact CB-CD1 4.17Å; E277-L286 HydrophobicContact CG-CD1 4.19Å
278L97.3Very high94.9Very high0 Ų039 Ų390%023%0.226CC..Hα-helixtrans-56.1-50.7173.6176.261.2000111.2L247 V252 V255 F257 G274 R275 K280 G281 L282 M447L247-L278 HydrophobicContact CD2-CD1 3.42Å; L247-L278 VanDerWaalsContact CD2-CD1 3.42Å; V252-L278 HydrophobicContact CG1-CD1 3.92Å; V252-L278 HydrophobicContact CG2-CB 3.94Å; V255-L278 HydrophobicContact CB-CD1 4.39Å; V255-L278 HydrophobicContact CG1-CD1 4.01Å; V255-L278 HydrophobicContact CG1-CD2 4.01Å; F257-L278 HydrophobicContact CE1-CD1 4.22Å; F257-L278 HydrophobicContact CE1-CD2 3.95Å; F257-L278 HydrophobicContact CE1-CG 4.39Å; G274-L278 VanDerWaalsContact O-CB 3.28Å; G274-L278 WeakPolarHBondContact O-CB 3.31Å; G274-L278 PolarHBondContact O-N 3.28Å; R275-L278 WeakPolarHBondContact O-CB 3.33Å; R275-L278 PolarHBondContact O-N 3.04Å; L278-K280 PolarHBondContact O-N 3.27Å; L278-G281 PolarHBondContact O-N 3.47Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 2.89Å; L278-M447 HydrophobicContact CD2-CE 4.3Å; L278-M447 HydrophobicContact CD2-SD 3.9Å
279M97.1Very high94.8Very high0 Ų043.9 Ų43.90%026%0.256CS..Hα-helixtrans-62.1-42.2178.8-64.7-42.7123.600113V267 R275 T276 E277 G281 L282 Y283 Y315 I397 I428 V430V267-M279 HydrophobicContact CB-CE 4.48Å; V267-M279 HydrophobicContact CG1-CE 4.23Å; V267-M279 HydrophobicContact CG2-CE 3.91Å; R275-M279 WeakPolarHBondContact O-CG 3.4Å; R275-M279 PolarHBondContact O-N 3.04Å; T276-M279 PolarHBondContact O-N 2.86Å; E277-M279 PolarHBondContact O-N 3.4Å; M279-G281 VanDerWaalsContact C-N 3.3Å; M279-G281 PolarHBondContact O-N 2.76Å; M279-L282 PolarHBondContact O-N 3.39Å; M279-L282 HydrophobicContact SD-CD1 4.25Å; M279-Y283 PolarHBondContact O-N 2.93Å; M279-Y315 HydrophobicContact CB-CD2 4Å; M279-Y315 HydrophobicContact CB-CE2 3.74Å; M279-I397 HydrophobicContact CB-CG2 3.85Å; M279-I397 HydrophobicContact CG-CG2 3.53Å; M279-I397 HydrophobicContact SD-CD1 4.13Å; M279-I397 HydrophobicContact SD-CG1 4.48Å; M279-I397 HydrophobicContact SD-CG2 3.56Å; M279-I397 VanDerWaalsContact SD-CG2 3.56Å; M279-I428 HydrophobicContact CE-CG2 3.99Å; M279-I428 HydrophobicContact SD-CB 4.43Å; M279-I428 HydrophobicContact SD-CD1 4.34Å; M279-I428 HydrophobicContact SD-CG2 3.69Å; M279-V430 HydrophobicContact CE-CG2 4.14Å; M279-V430 HydrophobicContact CG-CG2 3.51Å; M279-V430 HydrophobicContact SD-CG2 4.07Å
280K95.7Very high94.9Very high54 Ų5446.2 Ų46.224%0.23527%0.271CS..Hα-helixtrans-66.2-33.2176.7-75.3178.9177.4176.20111.8T276 E277 L278 G284 A285 L286 Y315T276-K280 HydrophobicContact CG2-CD 3.96Å; T276-K280 HydrophobicContact CG2-CG 4.38Å; T276-K280 WeakPolarHBondContact O-CB 2.97Å; T276-K280 WeakPolarHBondContact O-CG 3.45Å; T276-K280 PolarHBondContact O-N 3.44Å; E277-K280 PolarHBondContact O-N 3.15Å; L278-K280 PolarHBondContact O-N 3.27Å; K280-G284 CarbonylContact O-C 3.59Å; K280-G284 PolarHBondContact O-N 2.83Å; K280-G284 VanDerWaalsContact O-N 3.1Å; K280-A285 HydrophobicContact CB-CB 4.02Å; K280-A285 HydrophobicContact CG-CB 4.2Å; K280-A285 WeakPolarHBondContact O-CA 3.39Å; K280-A285 PolarHBondContact O-N 3.45Å; K280-L286 HydrophobicContact CB-CB 4.24Å; K280-L286 HydrophobicContact CB-CD1 3.78Å; K280-L286 HydrophobicContact CB-CG 3.79Å; K280-L286 HydrophobicContact CD-CD1 4.32Å; K280-L286 HydrophobicContact CD-CG 4.49Å; K280-L286 PolarHBondContact O-N 3.07Å; K280-Y315 HydrophobicContact CG-CE1 4.48Å
281G96Very high95Very high10 Ų1043 Ų4310%0.10326%0.257CS..Hα-helixtrans-62.4-47.6170.600000112.2E277 L278 M279 Y283 G284E277-G281 PolarHBondContact O-N 3.4Å; L278-G281 PolarHBondContact O-N 3.47Å; M279-G281 VanDerWaalsContact C-N 3.3Å; M279-G281 PolarHBondContact O-N 2.76Å; G281-Y283 PolarHBondContact O-N 3.39Å; G281-G284 PolarHBondContact O-N 3.25Å
282L96.7Very high95.3Very high0 Ų040.8 Ų40.80%024%0.239CC..Hα-helixtrans-63.2-43.2180-64.3173.2000112.7L242 V244 L247 F257 L278 M279 G284 V293 T302 I397 I428L242-L282 HydrophobicContact CD2-CD1 4.46Å; V244-L282 HydrophobicContact CG1-CD2 4.21Å; V244-L282 HydrophobicContact CG2-CD1 4.42Å; V244-L282 HydrophobicContact CG2-CD2 3.59Å; L247-L282 HydrophobicContact CD2-CD2 4.09Å; F257-L282 HydrophobicContact CE1-CD1 4.35Å; F257-L282 HydrophobicContact CZ-CD1 3.78Å; L278-L282 WeakPolarHBondContact O-CG 3.34Å; L278-L282 PolarHBondContact O-N 2.89Å; M279-L282 PolarHBondContact O-N 3.39Å; M279-L282 HydrophobicContact SD-CD1 4.25Å; L282-G284 VanDerWaalsContact C-N 3.28Å; L282-G284 PolarHBondContact O-N 3.36Å; L282-V293 HydrophobicContact CD2-CG1 4.34Å; L282-V293 HydrophobicContact CD2-CG2 3.71Å; L282-T302 WeakPolarHBondContact O-CG2 3.37Å; L282-T302 PolarHBondContact O-OG1 3.42Å; L282-I397 HydrophobicContact CB-CD1 4.35Å; L282-I428 HydrophobicContact CD1-CD1 4.42Å
283Y94.7Very high95.6Very high36 Ų3637.4 Ų37.414%0.14120%0.204CC..Hα-helixtrans-75.9-13.3178.5178.3-118.4000113.6M279 G281 A285 P305 G308 L309 I313 Y315M279-Y283 PolarHBondContact O-N 2.93Å; G281-Y283 PolarHBondContact O-N 3.39Å; Y283-A285 HydrophobicContact CD1-CB 4.28Å; Y283-P305 HydrophobicContact CD1-CB 4.22Å; Y283-P305 HydrophobicContact CE1-CB 3.41Å; Y283-P305 VanDerWaalsContact CE1-CB 3.41Å; Y283-P305 HydrophobicContact CE1-CG 4.04Å; Y283-P305 VanDerWaalsContact CE2-O 3.24Å; Y283-P305 WeakPolarHBondContact CE2-O 3.26Å; Y283-P305 VanDerWaalsContact CZ-O 3.27Å; Y283-P305 PolarHBondContact OH-O 3Å; Y283-G308 WeakPolarHBondContact O-CA 3.43Å; Y283-L309 HydrophobicContact CE2-CB 4.5Å; Y283-I313 VanDerWaalsContact CD2-O 3.26Å; Y283-I313 WeakPolarHBondContact CD2-O 3.48Å; Y283-I313 WeakPolarHBondContact CE2-O 3.37Å; Y283-Y315 HydrophobicContact CD1-CD1 4.44Å; Y283-Y315 HydrophobicContact CD1-CG 4.32Å
284G95.3Very high95.7Very high4 Ų439 Ų394%0.04121%0.214CC..THydrogen-bonded Turntrans8814.2179.800000114.9K280 G281 L282 R303 S304 P305K280-G284 CarbonylContact O-C 3.59Å; K280-G284 PolarHBondContact O-N 2.83Å; K280-G284 VanDerWaalsContact O-N 3.1Å; G281-G284 PolarHBondContact O-N 3.25Å; L282-G284 VanDerWaalsContact C-N 3.28Å; L282-G284 PolarHBondContact O-N 3.36Å; G284-R303 CarbonylContact O-C 3.52Å; G284-S304 CarbonylContact O-C 3.25Å; G284-S304 VanDerWaalsContact O-C 3.25Å; G284-S304 WeakPolarHBondContact O-CA 3.45Å; G284-S304 PolarHBondContact O-N 3.07Å; G284-P305 WeakPolarHBondContact O-CD 3.5Å
285A94.7Very high95.7Very high48 Ų4839.2 Ų39.240%0.39721%0.214SC..SBendtrans-79.4-20.8172.500000113K280 Y283 P305K280-A285 HydrophobicContact CB-CB 4.02Å; K280-A285 HydrophobicContact CG-CB 4.2Å; K280-A285 WeakPolarHBondContact O-CA 3.39Å; K280-A285 PolarHBondContact O-N 3.45Å; Y283-A285 HydrophobicContact CD1-CB 4.28Å; A285-P305 HydrophobicContact CB-CG 4.2Å
286L95.6Very high95.5Very high50 Ų5040.3 Ų40.326%0.26222%0.222SC..SBendtrans-124.2147.1169.5-70.5176.6000109.9E277 K280E277-L286 HydrophobicContact CB-CD1 4.17Å; E277-L286 HydrophobicContact CG-CD1 4.19Å; K280-L286 HydrophobicContact CB-CB 4.24Å; K280-L286 HydrophobicContact CB-CD1 3.78Å; K280-L286 HydrophobicContact CB-CG 3.79Å; K280-L286 HydrophobicContact CD-CD1 4.32Å; K280-L286 HydrophobicContact CD-CG 4.49Å; K280-L286 PolarHBondContact O-N 3.07Å
287P94.7Very high95.3Very high85 Ų8542.7 Ų42.755%0.55225%0.249SC*.  trans-73.1138.5-179.430.2-34.5000111.7P250P250-P287 WeakPolarHBondContact CD-O 3.23Å; P250-P287 HydrophobicContact CG-CG 4.33Å
288R93.9Very high95.2Very high65 Ų6546 Ų4625%0.24526%0.264CS..  trans-83.4132.3165.4178.5175.174.8-160.710.8110L247 C248 S290 G291L247-R288 HydrophobicContact CD1-CG 3.86Å; C248-R288 CarbonylContact O-C 3.59Å; C248-R288 WeakPolarHBondContact O-CA 3.37Å; R288-S290 VanDerWaalsContact CD-O 3.32Å; R288-S290 WeakPolarHBondContact CD-O 3.49Å; R288-S290 WeakPolarHBondContact CG-O 3.25Å; R288-G291 WeakPolarHBondContact CD-O 3.47Å; R288-G291 PolarHBondContact NE-O 3.17Å
289T94.4Very high95.1Very high109 Ų10951.2 Ų51.267%0.66929%0.289SS*.  trans-93.8-34.6175.652.90000112.7C248C248-T289 VanDerWaalsContact C-OG1 3.26Å; C248-T289 VanDerWaalsContact CB-OG1 3.29Å; C248-T289 WeakPolarHBondContact CB-OG1 3.35Å; C248-T289 PolarHBondContact O-N 2.94Å; C248-T289 PolarHBondContact O-OG1 3.2Å
290S96Very high95Very high57 Ų5751.8 Ų51.840%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-152.7173.2173.966.90000111.5C248 R288C248-S290 WeakPolarHBondContact CB-OG 3.34Å; C248-S290 PolarHBondContact N-O 3.44Å; C248-S290 PolarHBondContact SG-OG 2.84Å; R288-S290 VanDerWaalsContact CD-O 3.32Å; R288-S290 WeakPolarHBondContact CD-O 3.49Å; R288-S290 WeakPolarHBondContact CG-O 3.25Å
291G94.6Very high94.9Very high11 Ų1152.4 Ų52.411%0.11330%0.301CS..EExtended strand (participates in β ladder)trans89.2173-178.400000113.5D245 N246 R288D245-G291 CarbonylContact O-C 3.49Å; D245-G291 WeakPolarHBondContact O-CA 3.29Å; N246-G291 WeakPolarHBondContact O-CA 3.39Å; N246-G291 PolarHBondContact O-N 2.91Å; R288-G291 WeakPolarHBondContact CD-O 3.47Å; R288-G291 PolarHBondContact NE-O 3.17Å
292Y95Very high94.8Very high143 Ų14352.5 Ų52.556%0.56130%0.299SS*.EExtended strand (participates in β ladder)trans-130.1150.7-173.5-54.5-84.6000110.3D245 E299D245-Y292 PolarHBondContact N-O 3Å; D245-Y292 PolarHBondContact O-N 3.29Å; Y292-E299 WeakPolarHBondContact CD1-OE1 2.93Å
293V97Very high94.7Very high1 Ų162.9 Ų62.91%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-128.8127173.9179.50000106.1L242 K243 V244 L247 L282 E299 V300L242-V293 HydrophobicContact CD1-CG1 3.55Å; L242-V293 HydrophobicContact CG-CG1 4.25Å; K243-V293 CarbonylContact O-C 3.44Å; K243-V293 WeakPolarHBondContact O-CA 3.35Å; V244-V293 HydrophobicContact CG1-CG2 4.49Å; V244-V293 HydrophobicContact CG2-CG1 4.49Å; V244-V293 HydrophobicContact CG2-CG2 4.42Å; L247-V293 HydrophobicContact CD1-CG2 3.75Å; L282-V293 HydrophobicContact CD2-CG1 4.34Å; L282-V293 HydrophobicContact CD2-CG2 3.71Å; V293-E299 WeakPolarHBondContact O-CA 3.38Å; V293-V300 HydrophobicContact CB-CG2 4.02Å; V293-V300 HydrophobicContact CG1-CG2 3.65Å; V293-V300 WeakPolarHBondContact O-CG2 3.36Å; V293-V300 PolarHBondContact O-N 3.38Å
294T96.5Very high94.7Very high39 Ų3962.7 Ų62.724%0.23934%0.342CS..EExtended strand (participates in β ladder)trans-115.7142.9173.364.30000109.7L242 K243 H298 E299L242-T294 CarbonylContact C-O 3.57Å; L242-T294 VanDerWaalsContact CA-O 3.3Å; L242-T294 WeakPolarHBondContact CA-O 3.29Å; K243-T294 WeakPolarHBondContact CB-OG1 3.2Å; K243-T294 PolarHBondContact N-O 2.94Å; K243-T294 PolarHBondContact O-N 3.34Å; T294-H298 CarbonylContact C-O 3.58Å; T294-H298 WeakPolarHBondContact CA-O 3.33Å; T294-E299 HydrophobicContact CG2-CB 4.46Å
295L96.1Very high94.7Very high6 Ų664.7 Ų64.73%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-127.9124.3177.2-17478.3000108.5R241 L242 G297 H298 V300 N311 K394 V395R241-L295 HydrophobicContact CG-CD1 4.18Å; R241-L295 CarbonylContact O-C 3.11Å; R241-L295 WeakPolarHBondContact O-CA 3.35Å; R241-L295 WeakPolarHBondContact O-CD1 3.17Å; L242-L295 HydrophobicContact CB-CD1 4.26Å; L242-L295 HydrophobicContact CD1-CB 4.35Å; L242-L295 HydrophobicContact CD1-CD1 3.72Å; L295-G297 PolarHBondContact O-N 2.84Å; L295-H298 PolarHBondContact N-O 3.5Å; L295-H298 PolarHBondContact O-N 3.35Å; L295-V300 HydrophobicContact CB-CG1 3.78Å; L295-V300 HydrophobicContact CB-CG2 4.19Å; L295-N311 WeakPolarHBondContact CD2-O 3.4Å; L295-K394 HydrophobicContact CD2-CD 3.76Å; L295-K394 HydrophobicContact CG-CD 4.36Å; L295-V395 HydrophobicContact CD1-CG2 3.65Å
296D92.5Very high94.6Very high41 Ų4168.7 Ų68.722%0.21937%0.365CS..THydrogen-bonded Turntrans48.242-170.9-59.1-46.9000112R241 K261 H298 K394R241-D296 WeakPolarHBondContact CD-OD1 3.24Å; R241-D296 IonicContact CZ-OD1 2.67Å; R241-D296 IonicContact NE-OD1 2.69Å; R241-D296 IonicContact NH1-OD1 2.73Å; R241-D296 PolarHBondContact NH1-OD1 3.49Å; R241-D296 IonicContact NH1-OD2 3.6Å; R241-D296 PolarHBondContact NH1-OD2 3.31Å; R241-D296 PolarHBondContact O-N 3.14Å; K261-D296 WeakPolarHBondContact CE-OD1 3.39Å; D296-H298 VanDerWaalsContact C-N 3.27Å; D296-H298 PolarHBondContact O-CE1 3Å; D296-H298 PolarHBondContact O-N 3.11Å; D296-H298 PolarHBondContact O-ND1 3.21Å; D296-K394 WeakPolarHBondContact OD2-CD 3.39Å; D296-K394 WeakPolarHBondContact OD2-CE 3.49Å; D296-K394 IonicContact OD2-NZ 3.22Å; D296-K394 PolarHBondContact OD2-NZ 3.41Å
297G90.2Very high94.6Very high68 Ų6869 Ų6970%0.70137%0.367SS*.THydrogen-bonded Turntrans76.11.1-179.700000116.1L295L295-G297 PolarHBondContact O-N 2.84Å
298H94.5Very high94.6Very high138 Ų13864.9 Ų64.964%0.63934%0.341SS*.EExtended strand (participates in β ladder)trans-108.5132.7179.6-6076.6000110.4T294 L295 D296 V300T294-H298 CarbonylContact C-O 3.58Å; T294-H298 WeakPolarHBondContact CA-O 3.33Å; L295-H298 PolarHBondContact N-O 3.5Å; L295-H298 PolarHBondContact O-N 3.35Å; D296-H298 VanDerWaalsContact C-N 3.27Å; D296-H298 PolarHBondContact O-CE1 3Å; D296-H298 PolarHBondContact O-N 3.11Å; D296-H298 PolarHBondContact O-ND1 3.21Å; H298-V300 PolarHBondContact O-N 2.94Å
299E95.8Very high94.5Very high111 Ų11164 Ų6452%0.51934%0.34SS..EExtended strand (participates in β ladder)trans-60.2132.8175.3-165.9-173163.200111.1Y292 V293 T294Y292-E299 WeakPolarHBondContact CD1-OE1 2.93Å; V293-E299 WeakPolarHBondContact O-CA 3.38Å; T294-E299 HydrophobicContact CG2-CB 4.46Å
300V95.5Very high94.5Very high11 Ų1162.9 Ų62.97%0.06734%0.342CS..  trans-118.9136.1175.7-66.30000110.6V293 L295 H298 N311V293-V300 HydrophobicContact CB-CG2 4.02Å; V293-V300 HydrophobicContact CG1-CG2 3.65Å; V293-V300 WeakPolarHBondContact O-CG2 3.36Å; V293-V300 PolarHBondContact O-N 3.38Å; L295-V300 HydrophobicContact CB-CG1 3.78Å; L295-V300 HydrophobicContact CB-CG2 4.19Å; H298-V300 PolarHBondContact O-N 2.94Å; V300-N311 HydrophobicContact CB-CB 4.46Å; V300-N311 HydrophobicContact CG1-CB 4.2Å
301V93.2Very high94.4Very high68 Ų6862.5 Ų62.541%0.41234%0.336SS..  trans-112.4121176.1-179.40000108.1R303 N311V301-R303 HydrophobicContact CG1-CG 4Å; V301-N311 PolarHBondContact O-ND2 3.2Å
302T93.9Very high94.4Very high12 Ų1262.5 Ų62.57%0.07434%0.336CS..  trans-118.1103178.747.40000109.6L282 D307L282-T302 WeakPolarHBondContact O-CG2 3.37Å; L282-T302 PolarHBondContact O-OG1 3.42Å; T302-D307 HydrophobicContact CG2-CB 4.35Å
303R93.8Very high94.5Very high217 Ų21755.8 Ų55.882%0.81931%0.31SS*.SBendtrans-103-12.9178.2-62.4177.2-178.8175.60.2112.5G284 V301 D307G284-R303 CarbonylContact O-C 3.52Å; V301-R303 HydrophobicContact CG1-CG 4Å; R303-D307 WeakPolarHBondContact CA-OD2 3.4Å; R303-D307 WeakPolarHBondContact CB-OD2 3.4Å; R303-D307 PolarHBondContact N-OD2 3Å
304S96.1Very high94.4Very high32 Ų3256 Ų5622%0.22431%0.311CS..SBendtrans-147157.6179.465.90000110.2G284 Q306 D307 G308G284-S304 CarbonylContact O-C 3.25Å; G284-S304 VanDerWaalsContact O-C 3.25Å; G284-S304 WeakPolarHBondContact O-CA 3.45Å; G284-S304 PolarHBondContact O-N 3.07Å; S304-Q306 PolarHBondContact O-N 3.14Å; S304-Q306 VanDerWaalsContact O-N 3.13Å; S304-D307 PolarHBondContact N-OD2 3.14Å; S304-D307 WeakPolarHBondContact O-CB 3.18Å; S304-D307 PolarHBondContact O-N 3.2Å; S304-D307 PolarHBondContact OG-N 2.61Å; S304-D307 PolarHBondContact OG-OD1 3.36Å; S304-D307 PolarHBondContact OG-OD2 3.43Å; S304-G308 PolarHBondContact O-N 3.31Å
305P94Very high94.4Very high46 Ų4655.6 Ų55.630%0.29931%0.305SS..Hα-helixtrans-48-35.6168.1-34.741.6000114.1Y283 G284 A285 D307 G308 L309Y283-P305 HydrophobicContact CD1-CB 4.22Å; Y283-P305 HydrophobicContact CE1-CB 3.41Å; Y283-P305 VanDerWaalsContact CE1-CB 3.41Å; Y283-P305 HydrophobicContact CE1-CG 4.04Å; Y283-P305 VanDerWaalsContact CE2-O 3.24Å; Y283-P305 WeakPolarHBondContact CE2-O 3.26Å; Y283-P305 VanDerWaalsContact CZ-O 3.27Å; Y283-P305 PolarHBondContact OH-O 3Å; G284-P305 WeakPolarHBondContact O-CD 3.5Å; A285-P305 HydrophobicContact CB-CG 4.2Å; P305-D307 VanDerWaalsContact C-N 3.33Å; P305-G308 PolarHBondContact O-N 3.23Å; P305-L309 PolarHBondContact O-N 3.49Å
306Q93Very high94.4Very high132 Ų13256 Ų5662%0.61731%0.308SS*.Hα-helixtrans-66.1-36.6178.9-67.979.4-1.200111.7S304 L309 A310S304-Q306 PolarHBondContact O-N 3.14Å; S304-Q306 VanDerWaalsContact O-N 3.13Å; Q306-L309 PolarHBondContact O-N 3.45Å; Q306-A310 WeakPolarHBondContact O-CB 3.33Å; Q306-A310 PolarHBondContact O-N 3.36Å
307D94.9Very high94.4Very high56 Ų5654.4 Ų54.430%0.29930%0.299SS..Hα-helixtrans-67.8-42.1175.2-57.5-37.5000110.8T302 R303 S304 P305 L309 A310 N311T302-D307 HydrophobicContact CG2-CB 4.35Å; R303-D307 WeakPolarHBondContact CA-OD2 3.4Å; R303-D307 WeakPolarHBondContact CB-OD2 3.4Å; R303-D307 PolarHBondContact N-OD2 3Å; S304-D307 PolarHBondContact N-OD2 3.14Å; S304-D307 WeakPolarHBondContact O-CB 3.18Å; S304-D307 PolarHBondContact O-N 3.2Å; S304-D307 PolarHBondContact OG-N 2.61Å; S304-D307 PolarHBondContact OG-OD1 3.36Å; S304-D307 PolarHBondContact OG-OD2 3.43Å; P305-D307 VanDerWaalsContact C-N 3.33Å; D307-L309 VanDerWaalsContact C-N 3.33Å; D307-L309 PolarHBondContact O-N 2.97Å; D307-A310 PolarHBondContact O-N 2.94Å; D307-N311 WeakPolarHBondContact O-CB 3.29Å; D307-N311 PolarHBondContact O-N 3.37Å; D307-N311 PolarHBondContact O-ND2 3.42Å
308G95.4Very high94.3Very high0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-54.8-50.9173.500000111.2Y283 S304 P305 A310 N311 G312 I313Y283-G308 WeakPolarHBondContact O-CA 3.43Å; S304-G308 PolarHBondContact O-N 3.31Å; P305-G308 PolarHBondContact O-N 3.23Å; G308-A310 VanDerWaalsContact C-N 3.35Å; G308-A310 PolarHBondContact O-N 3.02Å; G308-N311 PolarHBondContact O-N 3Å; G308-G312 PolarHBondContact O-N 3.26Å; G308-G312 VanDerWaalsContact O-N 3.14Å; G308-I313 CarbonylContact C-O 3.54Å; G308-I313 PolarHBondContact O-N 3.46Å
309L93Very high94Very high45 Ų4550.1 Ų50.124%0.23626%0.264CS..Hα-helixtrans-61.2-41.7178-172.565.7000112.7Y283 P305 Q306 D307 N311 G312 I313 V314 T338 T391Y283-L309 HydrophobicContact CE2-CB 4.5Å; P305-L309 PolarHBondContact O-N 3.49Å; Q306-L309 PolarHBondContact O-N 3.45Å; D307-L309 VanDerWaalsContact C-N 3.33Å; D307-L309 PolarHBondContact O-N 2.97Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-N311 PolarHBondContact O-N 3.37Å; L309-G312 PolarHBondContact O-N 3.08Å; L309-I313 PolarHBondContact N-O 2.82Å; L309-V314 HydrophobicContact CD1-CG2 3.63Å; L309-T338 HydrophobicContact CD2-CG2 4.48Å; L309-T391 HydrophobicContact CD1-CG2 3.91Å
310A92.5Very high93.5Very high86 Ų8646.2 Ų46.271%0.71124%0.244SC*.Hα-helixtrans-64.9-34.3178.300000112.5Q306 D307 G308 G312Q306-A310 WeakPolarHBondContact O-CB 3.33Å; Q306-A310 PolarHBondContact O-N 3.36Å; D307-A310 PolarHBondContact O-N 2.94Å; G308-A310 VanDerWaalsContact C-N 3.35Å; G308-A310 PolarHBondContact O-N 3.02Å; A310-G312 PolarHBondContact O-N 3.27Å
311N94.5Very high93.1Very high49 Ų4951.5 Ų51.526%0.26227%0.266SS..Hα-helixtrans-76.4-9.8173.6-69.4-41.5000112.6L295 V300 V301 D307 G308 L309L295-N311 WeakPolarHBondContact CD2-O 3.4Å; V300-N311 HydrophobicContact CB-CB 4.46Å; V300-N311 HydrophobicContact CG1-CB 4.2Å; V301-N311 PolarHBondContact O-ND2 3.2Å; D307-N311 WeakPolarHBondContact O-CB 3.29Å; D307-N311 PolarHBondContact O-N 3.37Å; D307-N311 PolarHBondContact O-ND2 3.42Å; G308-N311 PolarHBondContact O-N 3Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-N311 PolarHBondContact O-N 3.37Å
312G94.6Very high92.8Very high12 Ų1258 Ų5812%0.12428%0.283CS..THydrogen-bonded Turntrans85.321.3-17800000113.8G308 L309 A310 K394 V395G308-G312 PolarHBondContact O-N 3.26Å; G308-G312 VanDerWaalsContact O-N 3.14Å; L309-G312 PolarHBondContact O-N 3.08Å; A310-G312 PolarHBondContact O-N 3.27Å; G312-K394 PolarHBondContact O-N 3.06Å; G312-V395 PolarHBondContact O-N 2.99Å
313I97Very high92.4Very high1 Ų161.7 Ų61.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-99.5120.5171.1-55.3173.7000107.5L242 Y283 G308 L309 V395 I397L242-I313 HydrophobicContact CD1-CD1 4.12Å; Y283-I313 VanDerWaalsContact CD2-O 3.26Å; Y283-I313 WeakPolarHBondContact CD2-O 3.48Å; Y283-I313 WeakPolarHBondContact CE2-O 3.37Å; G308-I313 CarbonylContact C-O 3.54Å; G308-I313 PolarHBondContact O-N 3.46Å; L309-I313 PolarHBondContact N-O 2.82Å; I313-V395 HydrophobicContact CG1-CB 4.44Å; I313-I397 HydrophobicContact CG2-CD1 3.86Å; I313-I397 HydrophobicContact CG2-CG1 4.43Å
314V95.9Very high92.1Very high7 Ų752 Ų524%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-118132.1-179.31690000109.8L309 I316 T391 P393 V395 L396 I397L309-V314 HydrophobicContact CD1-CG2 3.63Å; V314-I316 HydrophobicContact CG1-CD1 4.04Å; V314-T391 VanDerWaalsContact CG2-OG1 3.32Å; V314-T391 WeakPolarHBondContact CG2-OG1 3.4Å; V314-P393 HydrophobicContact CB-CB 3.98Å; V314-P393 HydrophobicContact CB-CG 4.4Å; V314-P393 HydrophobicContact CG2-CB 3.68Å; V314-P393 HydrophobicContact CG2-CG 4.25Å; V314-V395 PolarHBondContact N-O 3.31Å; V314-L396 HydrophobicContact CB-CD1 4.07Å; V314-L396 HydrophobicContact CG1-CD1 3.72Å; V314-I397 PolarHBondContact O-N 3.02Å
315Y96.1Very high91.9Very high29 Ų2950.9 Ų50.911%0.11426%0.262CS..EExtended strand (participates in β ladder)trans-110.3125.3177175.6-102.2000111.4M279 K280 Y283 I397 D399M279-Y315 HydrophobicContact CB-CD2 4Å; M279-Y315 HydrophobicContact CB-CE2 3.74Å; K280-Y315 HydrophobicContact CG-CE1 4.48Å; Y283-Y315 HydrophobicContact CD1-CD1 4.44Å; Y283-Y315 HydrophobicContact CD1-CG 4.32Å; Y315-I397 HydrophobicContact CD2-CB 4.1Å; Y315-I397 HydrophobicContact CD2-CG2 3.77Å; Y315-I397 HydrophobicContact CE2-CG2 4.27Å; Y315-D399 HydrophobicContact CE2-CB 3.65Å; Y315-D399 PolarHBondContact OH-OD2 3.02Å
316I95.3Very high92Very high15 Ų1551.6 Ų51.68%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-106.4112.8170.8-53.1-55.1000107.9V314 A384 I385 L396 I397 L398 D399V314-I316 HydrophobicContact CG1-CD1 4.04Å; I316-A384 WeakPolarHBondContact CD1-O 3.35Å; I316-A384 HydrophobicContact CG2-CB 4.36Å; I316-I385 HydrophobicContact CG2-CG1 4.39Å; I316-L396 HydrophobicContact CD1-CD1 4.46Å; I316-L396 HydrophobicContact CG1-CD1 3.89Å; I316-I397 PolarHBondContact N-O 3.24Å; I316-L398 HydrophobicContact CB-CD2 3.84Å; I316-L398 HydrophobicContact CG1-CD2 3.73Å; I316-L398 HydrophobicContact CG2-CD2 4.37Å; I316-D399 WeakPolarHBondContact O-CB 3.26Å; I316-D399 PolarHBondContact O-N 3.29Å
317S92.4Very high92Very high7 Ų748.3 Ų48.35%0.04925%0.251CS..  trans-71.7149.8-172.6-174.70000114D319 D399S317-D319 PolarHBondContact OG-N 3.23Å; S317-D399 CarbonylContact C-O 3.51Å
318E87.8Confident92Very high52 Ų5249.1 Ų49.124%0.24327%0.273CS..SBendtrans-58.8-43.7166.7171.4-176.2-166.400111.5R320 D399 E400 R403E318-R320 PolarHBondContact O-N 3.19Å; E318-D399 WeakPolarHBondContact CA-O 3.37Å; E318-D399 HydrophobicContact CB-CB 4.48Å; E318-D399 PolarHBondContact N-O 3.19Å; E318-E400 HydrophobicContact CB-CB 3.98Å; E318-E400 HydrophobicContact CB-CG 4.18Å; E318-E400 HydrophobicContact CG-CB 3.76Å; E318-E400 HydrophobicContact CG-CG 3.88Å; E318-R403 IonicContact OE1-CZ 3.92Å; E318-R403 IonicContact OE1-NE 2.81Å; E318-R403 IonicContact OE1-NH1 3.02Å; E318-R403 PolarHBondContact OE1-NH1 2.97Å; E318-R403 IonicContact OE1-NH2 2.73Å
319D88.5Confident92.1Very high65 Ų6552.4 Ų52.435%0.34829%0.289SS..  trans-90.775.9176.5-166.6-17.1000110.6S317 K321 R322 D323 G324S317-D319 PolarHBondContact OG-N 3.23Å; D319-K321 PolarHBondContact O-N 3.37Å; D319-K321 VanDerWaalsContact O-N 3.08Å; D319-K321 PolarHBondContact OD1-N 2.72Å; D319-R322 HydrophobicContact CB-CB 4.21Å; D319-R322 PolarHBondContact O-N 2.88Å; D319-R322 WeakPolarHBondContact OD1-CB 3.31Å; D319-R322 PolarHBondContact OD1-N 2.85Å; D319-R322 WeakPolarHBondContact OD2-CB 3.41Å; D319-D323 PolarHBondContact O-N 3.06Å; D319-G324 PolarHBondContact O-N 3.16Å
320R85.6Confident92.3Very high28 Ų2850.6 Ų50.611%0.10628%0.28CS..Iπ-helixtrans-56.8-25.6179.171.1174.8173.1-85.36.3113.8E318 G324 L325 R403 G404E318-R320 PolarHBondContact O-N 3.19Å; R320-G324 CarbonylContact O-C 3.54Å; R320-G324 WeakPolarHBondContact O-CA 3.28Å; R320-G324 PolarHBondContact O-N 2.92Å; R320-L325 WeakPolarHBondContact O-CB 3.49Å; R320-L325 PolarHBondContact O-N 3.04Å; R320-R403 PolarHBondContact NH1-O 3.35Å; R320-G404 PolarHBondContact NH2-O 2.94Å
321K86.8Confident92.4Very high123 Ų12346.5 Ų46.554%0.53525%0.246SC..Iπ-helixtrans-84.2-36.9-175.4-71.3-174.9179.6179.50111.5D319 L327D319-K321 PolarHBondContact O-N 3.37Å; D319-K321 VanDerWaalsContact O-N 3.08Å; D319-K321 PolarHBondContact OD1-N 2.72Å; K321-L327 HydrophobicContact CB-CD1 4.28Å; K321-L327 HydrophobicContact CG-CD1 4.33Å; K321-L327 HydrophobicContact CG-CD2 4.5Å
322R87.9Confident92.5Very high204 Ų20446 Ų4677%0.7724%0.242SC*.Iπ-helixtrans-85.2-45.2-179.9-168.4-177.6178.3164.1-1.2112.3D319D319-R322 HydrophobicContact CB-CB 4.21Å; D319-R322 PolarHBondContact O-N 2.88Å; D319-R322 WeakPolarHBondContact OD1-CB 3.31Å; D319-R322 PolarHBondContact OD1-N 2.85Å; D319-R322 WeakPolarHBondContact OD2-CB 3.41Å
323D85.1Confident92.5Very high89 Ų8949.5 Ų49.548%0.47626%0.255SS..Iπ-helixtrans-114.4-25.3-168.1-59.9-20.1000112.7D319D319-D323 PolarHBondContact O-N 3.06Å
324G87.2Confident92.4Very high13 Ų1349.4 Ų49.413%0.13426%0.255CS..Iπ-helixtrans-90.8-34.2-171.100000116.1D319 R320 R387D319-G324 PolarHBondContact O-N 3.16Å; R320-G324 CarbonylContact O-C 3.54Å; R320-G324 WeakPolarHBondContact O-CA 3.28Å; R320-G324 PolarHBondContact O-N 2.92Å; G324-R387 PolarHBondContact O-NH1 3.11Å
325L93.4Very high92.3Very high9 Ų949.1 Ų49.15%0.04725%0.253CS..  trans-136.8147.4-169.3-61.8173000111.5R320 L327 N334 I372 Q380 A384R320-L325 WeakPolarHBondContact O-CB 3.49Å; R320-L325 PolarHBondContact O-N 3.04Å; L325-L327 HydrophobicContact CB-CD2 4.18Å; L325-N334 HydrophobicContact CD2-CB 4.4Å; L325-I372 HydrophobicContact CD1-CD1 3.82Å; L325-I372 HydrophobicContact CD1-CG1 4.48Å; L325-I372 HydrophobicContact CD2-CD1 3.64Å; L325-I372 HydrophobicContact CG-CD1 4.22Å; L325-Q380 HydrophobicContact CD1-CB 3.79Å; L325-Q380 HydrophobicContact CD1-CG 4.41Å; L325-A384 HydrophobicContact CD2-CB 3.86Å; L325-A384 HydrophobicContact CG-CB 4.26Å
326V95.5Very high92.1Very high61 Ų6147.9 Ų47.937%0.3725%0.249SC..  trans-96.595.4168.4-172.30000107.6G328 M329 N334 L337V326-G328 PolarHBondContact O-N 3.06Å; V326-G328 VanDerWaalsContact O-N 3.11Å; V326-M329 HydrophobicContact CB-CB 4.18Å; V326-M329 HydrophobicContact CB-CE 4.49Å; V326-M329 HydrophobicContact CB-CG 4Å; V326-M329 HydrophobicContact CB-SD 3.67Å; V326-M329 HydrophobicContact CG1-CB 4.25Å; V326-M329 HydrophobicContact CG1-CE 3.98Å; V326-M329 HydrophobicContact CG1-CG 3.69Å; V326-M329 HydrophobicContact CG1-SD 3.69Å; V326-M329 HydrophobicContact CG2-SD 4.02Å; V326-M329 WeakPolarHBondContact O-CB 3.26Å; V326-M329 PolarHBondContact O-N 2.8Å; V326-N334 PolarHBondContact N-OD1 2.86Å; V326-N334 PolarHBondContact O-ND2 2.89Å; V326-N334 PolarHBondContact O-OD1 3.47Å; V326-L337 HydrophobicContact CG2-CD2 4.14Å
327L93.6Very high91.9Very high63 Ų6350.2 Ų50.233%0.3326%0.261SS..THydrogen-bonded Turntrans-59.5-28.8-167.3-61.9-178.2000114.8K321 L325 M329 I372 G373K321-L327 HydrophobicContact CB-CD1 4.28Å; K321-L327 HydrophobicContact CG-CD1 4.33Å; K321-L327 HydrophobicContact CG-CD2 4.5Å; L325-L327 HydrophobicContact CB-CD2 4.18Å; L327-M329 VanDerWaalsContact C-N 3.34Å; L327-I372 HydrophobicContact CD2-CG2 4.38Å; L327-G373 PolarHBondContact O-N 2.82Å
328G94.2Very high91.6Very high74 Ų7451.6 Ų51.676%0.76327%0.269SS*.THydrogen-bonded Turntrans-78.6-14.7176.900000114.5V326V326-G328 PolarHBondContact O-N 3.06Å; V326-G328 VanDerWaalsContact O-N 3.11Å
329M96.2Very high91.5Very high69 Ų6949.1 Ų49.134%0.3426%0.257SS..SBendtrans-85.5158177.3-72.9177.9-17900111.3V326 L327 E333 N334 I372V326-M329 HydrophobicContact CB-CB 4.18Å; V326-M329 HydrophobicContact CB-CE 4.49Å; V326-M329 HydrophobicContact CB-CG 4Å; V326-M329 HydrophobicContact CB-SD 3.67Å; V326-M329 HydrophobicContact CG1-CB 4.25Å; V326-M329 HydrophobicContact CG1-CE 3.98Å; V326-M329 HydrophobicContact CG1-CG 3.69Å; V326-M329 HydrophobicContact CG1-SD 3.69Å; V326-M329 HydrophobicContact CG2-SD 4.02Å; V326-M329 WeakPolarHBondContact O-CB 3.26Å; V326-M329 PolarHBondContact O-N 2.8Å; L327-M329 VanDerWaalsContact C-N 3.34Å; M329-E333 HydrophobicContact CB-CB 3.93Å; M329-E333 HydrophobicContact CG-CB 4.4Å; M329-E333 HydrophobicContact SD-CB 4.36Å; M329-N334 VanDerWaalsContact CB-ND2 3.34Å; M329-N334 WeakPolarHBondContact CB-ND2 3.17Å; M329-N334 PolarHBondContact O-ND2 3.37Å; M329-I372 PolarHBondContact O-N 2.97Å
330S97.2Very high91.3Very high6 Ų649.7 Ų49.74%0.04226%0.26CS..BIsolated β-bridgetrans-66.6166176.363.40000112.9K332 E333 N334 M368 E369 Q370S330-K332 VanDerWaalsContact C-N 3.29Å; S330-K332 PolarHBondContact O-N 3.4Å; S330-E333 WeakPolarHBondContact CB-OE2 3.44Å; S330-E333 PolarHBondContact N-OE2 2.59Å; S330-E333 PolarHBondContact O-N 3.16Å; S330-E333 WeakPolarHBondContact OG-CB 3.39Å; S330-E333 VanDerWaalsContact OG-CD 3.24Å; S330-E333 VanDerWaalsContact OG-CG 3.22Å; S330-E333 WeakPolarHBondContact OG-CG 3.36Å; S330-E333 PolarHBondContact OG-N 2.97Å; S330-E333 VanDerWaalsContact OG-N 3.15Å; S330-E333 PolarHBondContact OG-OE2 2.82Å; S330-N334 WeakPolarHBondContact O-CB 3.47Å; S330-N334 PolarHBondContact O-N 3.41Å; S330-N334 PolarHBondContact O-ND2 2.83Å; S330-M368 WeakPolarHBondContact CB-O 3.39Å; S330-E369 WeakPolarHBondContact CB-O 3.4Å; S330-Q370 CarbonylContact C-O 3.57Å; S330-Q370 VanDerWaalsContact CA-O 3.24Å; S330-Q370 WeakPolarHBondContact CA-O 3.27Å
331V96.6Very high91.1Very high0 Ų058.2 Ų58.20%029%0.292CS..Hα-helixtrans-54.9-46.5169.9174.30000110.8E333 N334 M335 I358 M368 Q370 L375 V383V331-E333 PolarHBondContact O-N 2.9Å; V331-N334 PolarHBondContact O-N 2.89Å; V331-M335 HydrophobicContact CG1-CE 4.19Å; V331-M335 VanDerWaalsContact O-CB 3.25Å; V331-M335 WeakPolarHBondContact O-CB 3.33Å; V331-M335 PolarHBondContact O-N 2.83Å; V331-I358 HydrophobicContact CG1-CD1 4.14Å; V331-I358 HydrophobicContact CG1-CG1 4.31Å; V331-M368 PolarHBondContact N-O 2.7Å; V331-Q370 PolarHBondContact N-O 2.94Å; V331-L375 HydrophobicContact CG2-CD1 3.61Å; V331-V383 HydrophobicContact CG1-CG1 4.37Å; V331-V383 HydrophobicContact CG1-CG2 3.91Å
332K95.3Very high90.5Very high38 Ų3858.8 Ų58.817%0.16529%0.292CS..Hα-helixtrans-59.3-48179.3178.4-167.170.9-160.80111.9S330 S336 V354 M368 E369S330-K332 VanDerWaalsContact C-N 3.29Å; S330-K332 PolarHBondContact O-N 3.4Å; K332-S336 VanDerWaalsContact O-CB 3.27Å; K332-S336 WeakPolarHBondContact O-CB 3.03Å; K332-S336 PolarHBondContact O-N 2.85Å; K332-S336 PolarHBondContact O-OG 3.47Å; K332-V354 HydrophobicContact CB-CG1 4.18Å; K332-V354 HydrophobicContact CG-CG1 4.3Å; K332-V354 HydrophobicContact CG-CG2 4.21Å; K332-M368 HydrophobicContact CB-CB 4.1Å; K332-M368 HydrophobicContact CB-CG 4.14Å; K332-M368 WeakPolarHBondContact CB-O 3.19Å; K332-M368 HydrophobicContact CD-CG 4.44Å; K332-M368 HydrophobicContact CD-SD 4.17Å; K332-M368 HydrophobicContact CG-SD 4.44Å; K332-M368 PolarHBondContact N-O 3.06Å; K332-E369 IonicContact NZ-OE1 2.58Å; K332-E369 PolarHBondContact NZ-OE1 3.06Å; K332-E369 IonicContact NZ-OE2 3.16Å; K332-E369 PolarHBondContact NZ-OE2 3.11Å
333E94.8Very high90Very high86 Ų8651.1 Ų51.140%0.40226%0.264SS..Hα-helixtrans-64.9-47.2-179.8-73.1162.8143.600111.1M329 S330 V331 M335 S336 L337M329-E333 HydrophobicContact CB-CB 3.93Å; M329-E333 HydrophobicContact CG-CB 4.4Å; M329-E333 HydrophobicContact SD-CB 4.36Å; S330-E333 WeakPolarHBondContact CB-OE2 3.44Å; S330-E333 PolarHBondContact N-OE2 2.59Å; S330-E333 PolarHBondContact O-N 3.16Å; S330-E333 WeakPolarHBondContact OG-CB 3.39Å; S330-E333 VanDerWaalsContact OG-CD 3.24Å; S330-E333 VanDerWaalsContact OG-CG 3.22Å; S330-E333 WeakPolarHBondContact OG-CG 3.36Å; S330-E333 PolarHBondContact OG-N 2.97Å; S330-E333 VanDerWaalsContact OG-N 3.15Å; S330-E333 PolarHBondContact OG-OE2 2.82Å; V331-E333 PolarHBondContact O-N 2.9Å; E333-M335 PolarHBondContact O-N 2.85Å; E333-S336 PolarHBondContact O-N 2.82Å; E333-S336 PolarHBondContact O-OG 3.38Å; E333-L337 WeakPolarHBondContact O-CB 3.23Å; E333-L337 PolarHBondContact O-N 3.14Å
334N95.3Very high89.5Confident0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-59.9-48.4177.5-86.7-85.6000112.2L325 V326 M329 S330 V331 S336 L337 I372 V383 R387L325-N334 HydrophobicContact CD2-CB 4.4Å; V326-N334 PolarHBondContact N-OD1 2.86Å; V326-N334 PolarHBondContact O-ND2 2.89Å; V326-N334 PolarHBondContact O-OD1 3.47Å; M329-N334 VanDerWaalsContact CB-ND2 3.34Å; M329-N334 WeakPolarHBondContact CB-ND2 3.17Å; M329-N334 PolarHBondContact O-ND2 3.37Å; S330-N334 WeakPolarHBondContact O-CB 3.47Å; S330-N334 PolarHBondContact O-N 3.41Å; S330-N334 PolarHBondContact O-ND2 2.83Å; V331-N334 PolarHBondContact O-N 2.89Å; N334-S336 VanDerWaalsContact C-N 3.29Å; N334-S336 PolarHBondContact O-N 2.81Å; N334-L337 PolarHBondContact O-N 2.85Å; N334-I372 HydrophobicContact CB-CD1 3.83Å; N334-I372 VanDerWaalsContact ND2-CG2 3.31Å; N334-I372 WeakPolarHBondContact ND2-CG2 3.34Å; N334-V383 HydrophobicContact CB-CG1 4.16Å; N334-R387 VanDerWaalsContact O-CD 3.23Å; N334-R387 WeakPolarHBondContact O-CD 3.43Å; N334-R387 VanDerWaalsContact O-CG 3.31Å; N334-R387 WeakPolarHBondContact O-CG 3.32Å
335M93.7Very high88.7Confident0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-64.5-36.5-176.8-156.4-176.2-85.800111.6V331 E333 V354 F357 I358 V383 A386 R387 M390V331-M335 HydrophobicContact CG1-CE 4.19Å; V331-M335 VanDerWaalsContact O-CB 3.25Å; V331-M335 WeakPolarHBondContact O-CB 3.33Å; V331-M335 PolarHBondContact O-N 2.83Å; E333-M335 PolarHBondContact O-N 2.85Å; M335-V354 HydrophobicContact SD-CG1 4.18Å; M335-F357 HydrophobicContact CE-CB 4.25Å; M335-F357 HydrophobicContact SD-CB 3.41Å; M335-F357 WeakPolarHBondContact SD-CB 3.3Å; M335-F357 HydrophobicContact SD-CG 4.32Å; M335-I358 HydrophobicContact CE-CG1 3.92Å; M335-V383 HydrophobicContact CB-CG1 4.14Å; M335-V383 HydrophobicContact CE-CB 4.46Å; M335-V383 HydrophobicContact CE-CG1 4.21Å; M335-V383 HydrophobicContact CE-CG2 4.08Å; M335-V383 HydrophobicContact CG-CG1 4.48Å; M335-A386 HydrophobicContact CE-CB 3.8Å; M335-A386 HydrophobicContact CG-CB 3.84Å; M335-A386 HydrophobicContact SD-CB 4.02Å; M335-R387 VanDerWaalsContact O-CA 3.31Å; M335-R387 WeakPolarHBondContact O-CA 3.49Å; M335-M390 HydrophobicContact CB-SD 4.18Å; M335-M390 HydrophobicContact CG-CG 4.49Å; M335-M390 HydrophobicContact CG-SD 3.53Å; M335-M390 VanDerWaalsContact CG-SD 3.53Å; M335-M390 HydrophobicContact SD-SD 4.04Å
336S92.3Very high87.2Confident4 Ų464.9 Ų64.93%0.02835%0.345CS..Hα-helixtrans-89.1-13.3-175.664.50000115.3K332 E333 N334 T338 A339 L340 L350K332-S336 VanDerWaalsContact O-CB 3.27Å; K332-S336 WeakPolarHBondContact O-CB 3.03Å; K332-S336 PolarHBondContact O-N 2.85Å; K332-S336 PolarHBondContact O-OG 3.47Å; E333-S336 PolarHBondContact O-N 2.82Å; E333-S336 PolarHBondContact O-OG 3.38Å; N334-S336 VanDerWaalsContact C-N 3.29Å; N334-S336 PolarHBondContact O-N 2.81Å; S336-T338 VanDerWaalsContact C-N 3.28Å; S336-T338 PolarHBondContact O-N 2.66Å; S336-T338 VanDerWaalsContact O-N 3.1Å; S336-A339 CarbonylContact O-C 3.46Å; S336-A339 WeakPolarHBondContact O-CA 3.33Å; S336-A339 PolarHBondContact O-N 2.88Å; S336-L340 WeakPolarHBondContact O-CG 3.41Å; S336-L340 PolarHBondContact O-N 3.47Å; S336-L350 VanDerWaalsContact CB-CD1 3.41Å
337L90.8Very high85.7Confident63 Ų6366.1 Ų66.133%0.3337%0.37SS..THydrogen-bonded Turntrans-52.4-40.8-166-171.357.8000114.2V326 E333 N334V326-L337 HydrophobicContact CG2-CD2 4.14Å; E333-L337 WeakPolarHBondContact O-CB 3.23Å; E333-L337 PolarHBondContact O-N 3.14Å; N334-L337 PolarHBondContact O-N 2.85Å
338T85.9Confident84.3Confident36 Ų3664.9 Ų64.922%0.22137%0.372CS..THydrogen-bonded Turntrans-89.1-9.6179.941.20000113.6L309 S336 R387 T391L309-T338 HydrophobicContact CD2-CG2 4.48Å; S336-T338 VanDerWaalsContact C-N 3.28Å; S336-T338 PolarHBondContact O-N 2.66Å; S336-T338 VanDerWaalsContact O-N 3.1Å; T338-R387 HydrophobicContact CG2-CG 4.45Å; T338-R387 VanDerWaalsContact CG2-NH2 3.35Å; T338-R387 WeakPolarHBondContact OG1-CG 3.37Å; T338-R387 PolarHBondContact OG1-O 2.99Å; T338-R387 VanDerWaalsContact OG1-O 3.11Å; T338-T391 WeakPolarHBondContact O-CG2 3.11Å
339A85.9Confident83.7Confident0 Ų064 Ų640%036%0.355CS..THydrogen-bonded Turntrans-113.41.3-173.900000113.7S336 R341 Y342 F343 M390 T391S336-A339 CarbonylContact O-C 3.46Å; S336-A339 WeakPolarHBondContact O-CA 3.33Å; S336-A339 PolarHBondContact O-N 2.88Å; A339-R341 PolarHBondContact O-N 3.28Å; A339-R341 VanDerWaalsContact O-N 3.07Å; A339-Y342 HydrophobicContact CB-CD2 4.16Å; A339-Y342 WeakPolarHBondContact O-CB 3.38Å; A339-Y342 WeakPolarHBondContact O-CD2 3.39Å; A339-Y342 PolarHBondContact O-N 2.64Å; A339-F343 HydrophobicContact CB-CD2 4.29Å; A339-F343 HydrophobicContact CB-CE2 3.7Å; A339-F343 VanDerWaalsContact O-CD2 3.26Å; A339-F343 WeakPolarHBondContact O-CD2 3.38Å; A339-M390 HydrophobicContact CB-CB 3.7Å; A339-T391 HydrophobicContact CB-CG2 4.09Å
340L84.6Confident83.2Confident78 Ų7862.9 Ų62.941%0.40835%0.35SS..Hα-helixtrans-48.7-42.6-175.1-72.3173000113S336 Y342 F343 S344 L350S336-L340 WeakPolarHBondContact O-CG 3.41Å; S336-L340 PolarHBondContact O-N 3.47Å; L340-Y342 PolarHBondContact O-N 2.94Å; L340-Y342 VanDerWaalsContact O-N 3.14Å; L340-F343 PolarHBondContact O-N 3.16Å; L340-S344 PolarHBondContact O-N 3.3Å; L340-S344 PolarHBondContact O-OG 2.95Å; L340-L350 HydrophobicContact CD2-CD2 4.37Å
341R80.6Confident82.7Confident206 Ų20668.7 Ų68.778%0.77737%0.374SS*.Hα-helixtrans-56.9-30.7179.5-170.9177.8177.6-165.6-0.9113.6A339 F343A339-R341 PolarHBondContact O-N 3.28Å; A339-R341 VanDerWaalsContact O-N 3.07Å; R341-F343 VanDerWaalsContact C-N 3.34Å
342Y74.1Confident82.3Confident135 Ų13574.8 Ų74.853%0.52940%0.402SS..Hα-helixtrans-73.9-26.5177.7-64.1-75.6000112.6A339 L340 T391A339-Y342 HydrophobicContact CB-CD2 4.16Å; A339-Y342 WeakPolarHBondContact O-CB 3.38Å; A339-Y342 WeakPolarHBondContact O-CD2 3.39Å; A339-Y342 PolarHBondContact O-N 2.64Å; L340-Y342 PolarHBondContact O-N 2.94Å; L340-Y342 VanDerWaalsContact O-N 3.14Å; Y342-T391 PolarHBondContact OH-O 3.34Å
343F77.6Confident82Confident43 Ų4373.8 Ų73.819%0.18940%0.401CS..Hα-helixtrans-102-11-177.1-55.4-69.9000113.6A339 L340 R341 R345 L350 A353 M390A339-F343 HydrophobicContact CB-CD2 4.29Å; A339-F343 HydrophobicContact CB-CE2 3.7Å; A339-F343 VanDerWaalsContact O-CD2 3.26Å; A339-F343 WeakPolarHBondContact O-CD2 3.38Å; L340-F343 PolarHBondContact O-N 3.16Å; R341-F343 VanDerWaalsContact C-N 3.34Å; F343-R345 PolarHBondContact O-N 3.19Å; F343-L350 HydrophobicContact CB-CB 4.13Å; F343-L350 HydrophobicContact CB-CD1 4.15Å; F343-L350 HydrophobicContact CD2-CD1 3.62Å; F343-L350 HydrophobicContact CE2-CD1 4.2Å; F343-L350 HydrophobicContact CG-CB 4.42Å; F343-L350 HydrophobicContact CG-CD1 3.86Å; F343-A353 HydrophobicContact CD1-CB 4.18Å; F343-A353 HydrophobicContact CE1-CB 3.36Å; F343-A353 HydrophobicContact CZ-CB 3.66Å; F343-M390 HydrophobicContact CE1-CE 4.49Å; F343-M390 HydrophobicContact CE2-CE 3.49Å; F343-M390 VanDerWaalsContact CE2-CE 3.49Å; F343-M390 HydrophobicContact CZ-CE 3.48Å; F343-M390 VanDerWaalsContact CZ-CE 3.48Å
344S75.6Confident81.8Confident101 Ų10169.7 Ų69.771%0.70638%0.382SS*.SBendtrans-75.7-3.6176.9-54.40000114.7L340L340-S344 PolarHBondContact O-N 3.3Å; L340-S344 PolarHBondContact O-OG 2.95Å
345R69.5Low81.8Confident185 Ų18571.1 Ų71.170%0.69839%0.392SS*.SBendtrans-85.7151.5177-68-176.7176.3174.8-1.2111.2F343 G347 G348F343-R345 PolarHBondContact O-N 3.19Å; R345-G347 PolarHBondContact O-N 3.32Å; R345-G348 PolarHBondContact O-N 2.99Å
346A61.3Low81.7Confident115 Ų11575.3 Ų75.395%0.9542%0.415SS*.THydrogen-bonded Turntrans-53.5123.2177.400000110.9
347G65.1Low81.7Confident86 Ų8677 Ų7789%0.88742%0.422SS*.THydrogen-bonded Turntrans97.7-9.7-176.500000115.6R345 S349R345-G347 PolarHBondContact O-N 3.32Å; G347-S349 PolarHBondContact O-N 3.23Å
348G64.3Low81.9Confident37 Ų3775.3 Ų75.338%0.38141%0.413SS..  trans-73.1116174.800000112.1R345R345-G348 PolarHBondContact O-N 2.99Å
349S81Confident82.3Confident57 Ų5782.5 Ų82.540%0.39944%0.436SS..  trans-100.494.1171.8-164.90000111.1G347 K351 H352 A353G347-S349 PolarHBondContact O-N 3.23Å; S349-K351 PolarHBondContact O-N 3.31Å; S349-H352 WeakPolarHBondContact CB-ND1 3.39Å; S349-H352 PolarHBondContact O-N 2.89Å; S349-H352 VanDerWaalsContact O-N 3.16Å; S349-H352 PolarHBondContact OG-ND1 3.38Å; S349-A353 PolarHBondContact O-N 3.39Å; S349-A353 VanDerWaalsContact O-N 3.11Å
350L85.2Confident82.5Confident45 Ų4586.9 Ų86.924%0.23646%0.459CS..Hα-helixtrans-54.5-42.6178.5177.863.4000112.2S336 L340 F343 H352 A353 V354S336-L350 VanDerWaalsContact CB-CD1 3.41Å; L340-L350 HydrophobicContact CD2-CD2 4.37Å; F343-L350 HydrophobicContact CB-CB 4.13Å; F343-L350 HydrophobicContact CB-CD1 4.15Å; F343-L350 HydrophobicContact CD2-CD1 3.62Å; F343-L350 HydrophobicContact CE2-CD1 4.2Å; F343-L350 HydrophobicContact CG-CB 4.42Å; F343-L350 HydrophobicContact CG-CD1 3.86Å; L350-H352 PolarHBondContact O-N 3.13Å; L350-A353 PolarHBondContact O-N 2.79Å; L350-V354 HydrophobicContact CD1-CG2 4.03Å; L350-V354 HydrophobicContact CG-CG2 4.36Å; L350-V354 WeakPolarHBondContact O-CB 3.29Å; L350-V354 WeakPolarHBondContact O-CG2 3.2Å; L350-V354 PolarHBondContact O-N 2.93Å
351K87Confident82.8Confident128 Ų12883.2 Ų83.256%0.55744%0.439SS*.Hα-helixtrans-63.3-39.4-179.7-74.2-172.7175.2-177.30112.6S349 S355 M368S349-K351 PolarHBondContact O-N 3.31Å; K351-S355 VanDerWaalsContact O-CB 3.29Å; K351-S355 WeakPolarHBondContact O-CB 3.33Å; K351-S355 PolarHBondContact O-N 3.47Å; K351-M368 HydrophobicContact CG-SD 4.28Å
352H88.3Confident83.4Confident127 Ų12777.7 Ų77.759%0.58843%0.426SS*.Hα-helixtrans-67.1-48.5176.8-74.882.5000110.6S349 L350 V354 S355 D356S349-H352 WeakPolarHBondContact CB-ND1 3.39Å; S349-H352 PolarHBondContact O-N 2.89Å; S349-H352 VanDerWaalsContact O-N 3.16Å; S349-H352 PolarHBondContact OG-ND1 3.38Å; L350-H352 PolarHBondContact O-N 3.13Å; H352-V354 PolarHBondContact O-N 3.03Å; H352-S355 CarbonylContact O-C 3.49Å; H352-S355 WeakPolarHBondContact O-CA 3.47Å; H352-S355 WeakPolarHBondContact O-CB 3.43Å; H352-S355 PolarHBondContact O-N 3.21Å; H352-D356 VanDerWaalsContact O-CG 3.26Å; H352-D356 PolarHBondContact O-N 2.83Å
353A88.5Confident84.3Confident17 Ų1771.8 Ų71.814%0.1440%0.403CS..Hα-helixtrans-58.3-45.5178.500000112.4F343 S349 L350 S355 D356 F357 M390F343-A353 HydrophobicContact CD1-CB 4.18Å; F343-A353 HydrophobicContact CE1-CB 3.36Å; F343-A353 HydrophobicContact CZ-CB 3.66Å; S349-A353 PolarHBondContact O-N 3.39Å; S349-A353 VanDerWaalsContact O-N 3.11Å; L350-A353 PolarHBondContact O-N 2.79Å; A353-S355 VanDerWaalsContact C-N 3.34Å; A353-S355 PolarHBondContact O-N 2.93Å; A353-D356 PolarHBondContact O-N 2.99Å; A353-F357 WeakPolarHBondContact O-CD2 3.4Å; A353-F357 PolarHBondContact O-N 3.14Å; A353-M390 HydrophobicContact CB-CE 3.86Å
354V92.4Very high85.1Confident0 Ų076.3 Ų76.30%042%0.423CS..Hα-helixtrans-62.5-41.7175.2170.30000111.2K332 M335 L350 H352 D356 F357 I358 M368 M390K332-V354 HydrophobicContact CB-CG1 4.18Å; K332-V354 HydrophobicContact CG-CG1 4.3Å; K332-V354 HydrophobicContact CG-CG2 4.21Å; M335-V354 HydrophobicContact SD-CG1 4.18Å; L350-V354 HydrophobicContact CD1-CG2 4.03Å; L350-V354 HydrophobicContact CG-CG2 4.36Å; L350-V354 WeakPolarHBondContact O-CB 3.29Å; L350-V354 WeakPolarHBondContact O-CG2 3.2Å; L350-V354 PolarHBondContact O-N 2.93Å; H352-V354 PolarHBondContact O-N 3.03Å; V354-D356 VanDerWaalsContact C-N 3.32Å; V354-D356 PolarHBondContact O-N 3.07Å; V354-F357 PolarHBondContact O-N 3.41Å; V354-I358 HydrophobicContact CG1-CD1 3.85Å; V354-I358 HydrophobicContact CG1-CG1 4.37Å; V354-I358 WeakPolarHBondContact O-CB 3.43Å; V354-I358 VanDerWaalsContact O-CG1 3.28Å; V354-I358 WeakPolarHBondContact O-CG1 3.46Å; V354-I358 PolarHBondContact O-N 3.14Å; V354-M368 HydrophobicContact CG1-CB 4.29Å; V354-M390 HydrophobicContact CG2-CE 3.99Å; V354-M390 HydrophobicContact CG2-SD 4.44Å
355S93.7Very high86Confident31 Ų3173 Ų7322%0.21740%0.398CS..Hα-helixtrans-61.3-40.5176179.50000112.2K351 H352 A353 I358 R359K351-S355 VanDerWaalsContact O-CB 3.29Å; K351-S355 WeakPolarHBondContact O-CB 3.33Å; K351-S355 PolarHBondContact O-N 3.47Å; H352-S355 CarbonylContact O-C 3.49Å; H352-S355 WeakPolarHBondContact O-CA 3.47Å; H352-S355 WeakPolarHBondContact O-CB 3.43Å; H352-S355 PolarHBondContact O-N 3.21Å; A353-S355 VanDerWaalsContact C-N 3.34Å; A353-S355 PolarHBondContact O-N 2.93Å; S355-I358 PolarHBondContact O-N 2.92Å; S355-R359 WeakPolarHBondContact O-CG 3.46Å; S355-R359 PolarHBondContact O-N 2.91Å
356D91.7Very high87.2Confident87 Ų8769.5 Ų69.547%0.46540%0.4SS..Hα-helixtrans-65.9-43.8178.8-65.3-23.6000111H352 A353 V354 R359 L360H352-D356 VanDerWaalsContact O-CG 3.26Å; H352-D356 PolarHBondContact O-N 2.83Å; A353-D356 PolarHBondContact O-N 2.99Å; V354-D356 VanDerWaalsContact C-N 3.32Å; V354-D356 PolarHBondContact O-N 3.07Å; D356-R359 PolarHBondContact O-N 2.94Å; D356-L360 WeakPolarHBondContact O-CB 3.46Å; D356-L360 PolarHBondContact O-N 3.23Å
357F92.4Very high88.8Confident40 Ų4066.5 Ų66.518%0.17537%0.372CS..Hα-helixtrans-66.2-38.5174.6-88.6-94.8000112.6M335 A353 V354 R359 L360 F361 A386 L389 M390M335-F357 HydrophobicContact CE-CB 4.25Å; M335-F357 HydrophobicContact SD-CB 3.41Å; M335-F357 WeakPolarHBondContact SD-CB 3.3Å; M335-F357 HydrophobicContact SD-CG 4.32Å; A353-F357 WeakPolarHBondContact O-CD2 3.4Å; A353-F357 PolarHBondContact O-N 3.14Å; V354-F357 PolarHBondContact O-N 3.41Å; F357-R359 VanDerWaalsContact C-N 3.26Å; F357-R359 PolarHBondContact O-N 3.04Å; F357-L360 PolarHBondContact O-N 3.45Å; F357-F361 AromaticContact CD1-CD2 3.89Å; F357-F361 HydrophobicContact CD1-CD2 3.89Å; F357-F361 AromaticContact CD1-CE2 3.52Å; F357-F361 HydrophobicContact CD1-CE2 3.52Å; F357-F361 AromaticContact CE1-CE2 3.92Å; F357-F361 HydrophobicContact CE1-CE2 3.92Å; F357-F361 WeakPolarHBondContact O-CB 3.35Å; F357-F361 VanDerWaalsContact O-CD2 3.31Å; F357-F361 WeakPolarHBondContact O-CD2 3.48Å; F357-F361 PolarHBondContact O-N 3.46Å; F357-A386 HydrophobicContact CB-CB 4.45Å; F357-A386 HydrophobicContact CD1-CB 3.77Å; F357-L389 HydrophobicContact CE1-CB 3.78Å; F357-L389 HydrophobicContact CZ-CB 4.32Å; F357-M390 HydrophobicContact CD1-CG 4.09Å; F357-M390 HydrophobicContact CD2-CE 4.46Å; F357-M390 HydrophobicContact CD2-CG 3.73Å; F357-M390 HydrophobicContact CD2-SD 4.37Å; F357-M390 HydrophobicContact CE1-CG 4Å; F357-M390 HydrophobicContact CE2-CG 3.62Å; F357-M390 HydrophobicContact CG-CG 3.97Å; F357-M390 HydrophobicContact CZ-CB 4.47Å; F357-M390 HydrophobicContact CZ-CG 3.76Å
358I95Very high90.3Very high28 Ų2864.7 Ų64.714%0.14434%0.341CS..Hα-helixtrans-57.6-42.4173.3-74.6170.2000110.6V331 M335 V354 S355 N362 V363 T365 M368V331-I358 HydrophobicContact CG1-CD1 4.14Å; V331-I358 HydrophobicContact CG1-CG1 4.31Å; M335-I358 HydrophobicContact CE-CG1 3.92Å; V354-I358 HydrophobicContact CG1-CD1 3.85Å; V354-I358 HydrophobicContact CG1-CG1 4.37Å; V354-I358 WeakPolarHBondContact O-CB 3.43Å; V354-I358 VanDerWaalsContact O-CG1 3.28Å; V354-I358 WeakPolarHBondContact O-CG1 3.46Å; V354-I358 PolarHBondContact O-N 3.14Å; S355-I358 PolarHBondContact O-N 2.92Å; I358-N362 WeakPolarHBondContact O-CA 3.48Å; I358-N362 PolarHBondContact O-N 3.2Å; I358-N362 VanDerWaalsContact O-N 3.14Å; I358-V363 HydrophobicContact CG2-CB 4.32Å; I358-V363 PolarHBondContact O-N 2.92Å; I358-T365 HydrophobicContact CD1-CG2 4.47Å; I358-T365 HydrophobicContact CG2-CG2 4.48Å; I358-M368 HydrophobicContact CD1-CB 3.77Å
359R94.1Very high91.8Very high186 Ų18667.4 Ų67.470%0.70234%0.344SS*.Hα-helixtrans-69.3-49.9177.3-70.5174.6-175.21780.9112S355 D356 F357 F361 N362S355-R359 WeakPolarHBondContact O-CG 3.46Å; S355-R359 PolarHBondContact O-N 2.91Å; D356-R359 PolarHBondContact O-N 2.94Å; F357-R359 VanDerWaalsContact C-N 3.26Å; F357-R359 PolarHBondContact O-N 3.04Å; R359-F361 VanDerWaalsContact C-N 3.29Å; R359-F361 PolarHBondContact O-N 2.84Å; R359-N362 PolarHBondContact O-N 3.03Å
360L90.4Very high92.5Very high92 Ų9267.1 Ų67.148%0.48234%0.336SS..Hα-helixtrans-56.5-43.9-179.3179.262.5000111.6D356 F357 N362 F420D356-L360 WeakPolarHBondContact O-CB 3.46Å; D356-L360 PolarHBondContact O-N 3.23Å; F357-L360 PolarHBondContact O-N 3.45Å; L360-N362 VanDerWaalsContact C-N 3.3Å; L360-N362 PolarHBondContact O-N 2.93Å; L360-F420 HydrophobicContact CD2-CE1 4.11Å; L360-F420 HydrophobicContact CD2-CZ 3.87Å
361F91.7Very high93.1Very high1 Ų166.6 Ų66.60%0.00434%0.338CS..THydrogen-bonded Turntrans-83.3-5.2179.2-79-100.2000113.6F357 R359 V363 K382 I385 A386 L389 L416 F420F357-F361 AromaticContact CD1-CD2 3.89Å; F357-F361 HydrophobicContact CD1-CD2 3.89Å; F357-F361 AromaticContact CD1-CE2 3.52Å; F357-F361 HydrophobicContact CD1-CE2 3.52Å; F357-F361 AromaticContact CE1-CE2 3.92Å; F357-F361 HydrophobicContact CE1-CE2 3.92Å; F357-F361 WeakPolarHBondContact O-CB 3.35Å; F357-F361 VanDerWaalsContact O-CD2 3.31Å; F357-F361 WeakPolarHBondContact O-CD2 3.48Å; F357-F361 PolarHBondContact O-N 3.46Å; R359-F361 VanDerWaalsContact C-N 3.29Å; R359-F361 PolarHBondContact O-N 2.84Å; F361-V363 VanDerWaalsContact C-N 3.28Å; F361-V363 HydrophobicContact CB-CG2 3.64Å; F361-V363 PolarHBondContact O-N 2.84Å; F361-K382 HydrophobicContact CB-CB 4.3Å; F361-K382 HydrophobicContact CD1-CB 4.04Å; F361-K382 HydrophobicContact CD1-CG 4.38Å; F361-K382 WeakPolarHBondContact CD1-O 3.25Å; F361-K382 VanDerWaalsContact O-CD 3.29Å; F361-K382 WeakPolarHBondContact O-CD 3.32Å; F361-K382 WeakPolarHBondContact O-CE 3.46Å; F361-K382 PolarHBondContact O-NZ 2.66Å; F361-I385 HydrophobicContact CE1-CB 3.99Å; F361-I385 HydrophobicContact CE1-CG2 3.67Å; F361-I385 HydrophobicContact CZ-CG2 4.06Å; F361-A386 HydrophobicContact CD1-CB 4.35Å; F361-A386 HydrophobicContact CD2-CB 3.92Å; F361-A386 HydrophobicContact CE1-CB 4.34Å; F361-A386 HydrophobicContact CE2-CB 3.91Å; F361-A386 HydrophobicContact CG-CB 4.18Å; F361-A386 HydrophobicContact CZ-CB 4.15Å; F361-L389 HydrophobicContact CE1-CD1 4.39Å; F361-L389 HydrophobicContact CE2-CD1 4.26Å; F361-L389 HydrophobicContact CZ-CD1 3.47Å; F361-L389 VanDerWaalsContact CZ-CD1 3.47Å; F361-L416 HydrophobicContact CB-CD1 4.49Å; F361-L416 HydrophobicContact CD1-CD1 3.46Å; F361-L416 VanDerWaalsContact CD1-CD1 3.46Å; F361-L416 HydrophobicContact CD1-CD2 4.34Å; F361-L416 HydrophobicContact CD1-CG 4.48Å; F361-L416 HydrophobicContact CE1-CD1 3.76Å; F361-L416 HydrophobicContact CE1-CD2 4.35Å; F361-L416 HydrophobicContact CE1-CG 4.49Å; F361-L416 HydrophobicContact CG-CD1 4.16Å; F361-L416 HydrophobicContact CG-CD2 4.48Å; F361-L416 HydrophobicContact CZ-CD2 4.49Å; F361-F420 HydrophobicContact CE1-CE2 4.26Å; F361-F420 HydrophobicContact CE2-CE2 4.14Å; F361-F420 AromaticContact CE2-CZ 3.77Å; F361-F420 HydrophobicContact CE2-CZ 3.77Å; F361-F420 AromaticContact CZ-CE2 3.51Å; F361-F420 HydrophobicContact CZ-CE2 3.51Å; F361-F420 AromaticContact CZ-CZ 3.61Å; F361-F420 HydrophobicContact CZ-CZ 3.61Å
362N92.6Very high93.5Very high91 Ų9160.5 Ų60.549%0.48731%0.311SS..THydrogen-bonded Turntrans48.451-171.6-17027.8000111.5I358 R359 L360 K364 K382I358-N362 WeakPolarHBondContact O-CA 3.48Å; I358-N362 PolarHBondContact O-N 3.2Å; I358-N362 VanDerWaalsContact O-N 3.14Å; R359-N362 PolarHBondContact O-N 3.03Å; L360-N362 VanDerWaalsContact C-N 3.3Å; L360-N362 PolarHBondContact O-N 2.93Å; N362-K364 PolarHBondContact O-N 3.4Å; N362-K382 PolarHBondContact O-NZ 2.87Å
363V93.6Very high93.8Very high10 Ų1056 Ų566%0.06130%0.3CS..  trans-75.3116.2179.7-176.90000109.1I358 F361 T365 L375 N379 K382 V383I358-V363 HydrophobicContact CG2-CB 4.32Å; I358-V363 PolarHBondContact O-N 2.92Å; F361-V363 VanDerWaalsContact C-N 3.28Å; F361-V363 HydrophobicContact CB-CG2 3.64Å; F361-V363 PolarHBondContact O-N 2.84Å; V363-T365 HydrophobicContact CG1-CG2 4.34Å; V363-T365 PolarHBondContact O-N 2.96Å; V363-T365 VanDerWaalsContact O-N 3.14Å; V363-L375 HydrophobicContact CG1-CD1 4.27Å; V363-N379 HydrophobicContact CG1-CB 4.29Å; V363-K382 HydrophobicContact CG2-CB 4.03Å; V363-V383 HydrophobicContact CG1-CG2 3.81Å; V363-V383 HydrophobicContact CG2-CG2 4.14Å
364K93.9Very high94.1Very high139 Ų13961.5 Ų61.560%0.60433%0.326SS*.  trans-79.896.3177.6-59-179.9-177.9173.50109.1N362 N379N362-K364 PolarHBondContact O-N 3.4Å; K364-N379 PolarHBondContact N-OD1 2.83Å
365T95.3Very high94.2Very high30 Ų3062.3 Ų62.318%0.18433%0.33CS..  trans-139.1141.8177.2-175.80000111I358 V363 S367 Q370I358-T365 HydrophobicContact CD1-CG2 4.47Å; I358-T365 HydrophobicContact CG2-CG2 4.48Å; V363-T365 HydrophobicContact CG1-CG2 4.34Å; V363-T365 PolarHBondContact O-N 2.96Å; V363-T365 VanDerWaalsContact O-N 3.14Å; T365-S367 WeakPolarHBondContact CG2-O 3.34Å; T365-S367 PolarHBondContact O-N 3.02Å; T365-S367 PolarHBondContact OG1-O 3.49Å; T365-Q370 WeakPolarHBondContact OG1-CB 3.21Å
366P93.8Very high94.1Very high112 Ų11263.8 Ų63.873%0.72734%0.34SS*.SBendtrans-61.5-33.6175.5-21.932.8000113.1
367S95Very high94.1Very high53 Ų5360.6 Ų60.637%0.37133%0.329SS..  trans-158.9166.1174.676.40000110.8T365 E369 Q370T365-S367 WeakPolarHBondContact CG2-O 3.34Å; T365-S367 PolarHBondContact O-N 3.02Å; T365-S367 PolarHBondContact OG1-O 3.49Å; S367-E369 PolarHBondContact O-N 3.1Å; S367-E369 PolarHBondContact OG-N 3.38Å; S367-Q370 WeakPolarHBondContact O-CB 3.26Å; S367-Q370 PolarHBondContact O-N 3.26Å; S367-Q370 PolarHBondContact OG-N 3.36Å
368M95.3Very high94Very high48 Ų4858.8 Ų58.824%0.23632%0.321CS..THydrogen-bonded Turntrans-69.6-14.2171.973.5-176.175.700113S330 V331 K332 K351 V354 I358S330-M368 WeakPolarHBondContact CB-O 3.39Å; V331-M368 PolarHBondContact N-O 2.7Å; K332-M368 HydrophobicContact CB-CB 4.1Å; K332-M368 HydrophobicContact CB-CG 4.14Å; K332-M368 WeakPolarHBondContact CB-O 3.19Å; K332-M368 HydrophobicContact CD-CG 4.44Å; K332-M368 HydrophobicContact CD-SD 4.17Å; K332-M368 HydrophobicContact CG-SD 4.44Å; K332-M368 PolarHBondContact N-O 3.06Å; K351-M368 HydrophobicContact CG-SD 4.28Å; V354-M368 HydrophobicContact CG1-CB 4.29Å; I358-M368 HydrophobicContact CD1-CB 3.77Å
369E96.5Very high94Very high94 Ų9458.2 Ų58.244%0.43932%0.318SS..THydrogen-bonded Turntrans-89.7-6.7178-53.2-60.5158.600112.3S330 K332 S367 A371S330-E369 WeakPolarHBondContact CB-O 3.4Å; K332-E369 IonicContact NZ-OE1 2.58Å; K332-E369 PolarHBondContact NZ-OE1 3.06Å; K332-E369 IonicContact NZ-OE2 3.16Å; K332-E369 PolarHBondContact NZ-OE2 3.11Å; S367-E369 PolarHBondContact O-N 3.1Å; S367-E369 PolarHBondContact OG-N 3.38Å; E369-A371 PolarHBondContact O-N 3.38Å
370Q96.9Very high94Very high50 Ų5049.9 Ų49.923%0.23429%0.287CS..SBendtrans-59.5130.8175.4-178.469.629.100110.4S330 V331 T365 S367 I372 L375S330-Q370 CarbonylContact C-O 3.57Å; S330-Q370 VanDerWaalsContact CA-O 3.24Å; S330-Q370 WeakPolarHBondContact CA-O 3.27Å; V331-Q370 PolarHBondContact N-O 2.94Å; T365-Q370 WeakPolarHBondContact OG1-CB 3.21Å; S367-Q370 WeakPolarHBondContact O-CB 3.26Å; S367-Q370 PolarHBondContact O-N 3.26Å; S367-Q370 PolarHBondContact OG-N 3.36Å; Q370-I372 PolarHBondContact O-N 3.12Å; Q370-L375 HydrophobicContact CG-CD2 4.06Å
371A97Very high94.1Very high34 Ų3445.7 Ų45.728%0.28127%0.265SS..BIsolated β-bridgetrans-58.1126.2171.600000110.4E369 G373 L374E369-A371 PolarHBondContact O-N 3.38Å; A371-G373 PolarHBondContact O-N 3.35Å; A371-L374 HydrophobicContact CB-CD1 4.25Å; A371-L374 HydrophobicContact CB-CG 4.42Å; A371-L374 WeakPolarHBondContact O-CB 3.21Å; A371-L374 PolarHBondContact O-N 2.76Å; A371-L374 VanDerWaalsContact O-N 3.12Å
372I95.7Very high94.1Very high0 Ų045.8 Ų45.80%027%0.266CS..G310 helixtrans-64.4-29.5-171.6-162.4172000112.5L325 L327 M329 N334 Q370 L374 L375 Q380 V383L325-I372 HydrophobicContact CD1-CD1 3.82Å; L325-I372 HydrophobicContact CD1-CG1 4.48Å; L325-I372 HydrophobicContact CD2-CD1 3.64Å; L325-I372 HydrophobicContact CG-CD1 4.22Å; L327-I372 HydrophobicContact CD2-CG2 4.38Å; M329-I372 PolarHBondContact O-N 2.97Å; N334-I372 HydrophobicContact CB-CD1 3.83Å; N334-I372 VanDerWaalsContact ND2-CG2 3.31Å; N334-I372 WeakPolarHBondContact ND2-CG2 3.34Å; Q370-I372 PolarHBondContact O-N 3.12Å; I372-L374 PolarHBondContact O-N 2.73Å; I372-L374 VanDerWaalsContact O-N 3.08Å; I372-L375 HydrophobicContact CG1-CD1 4.45Å; I372-L375 WeakPolarHBondContact O-CB 3.31Å; I372-L375 PolarHBondContact O-N 3.15Å; I372-Q380 HydrophobicContact CG1-CG 4.39Å; I372-Q380 PolarHBondContact O-NE2 2.77Å; I372-V383 HydrophobicContact CD1-CB 3.75Å; I372-V383 HydrophobicContact CD1-CG1 3.46Å; I372-V383 VanDerWaalsContact CD1-CG1 3.46Å; I372-V383 HydrophobicContact CD1-CG2 4.31Å
373G94.5Very high94.2Very high33 Ų3341.4 Ų41.434%0.3424%0.242SC..G310 helixtrans-60.4-18.4177.800000114.1L327 A371L327-G373 PolarHBondContact O-N 2.82Å; A371-G373 PolarHBondContact O-N 3.35Å
374L95Very high94.3Very high133 Ų13341.1 Ų41.170%0.69624%0.241SC*.G310 helixtrans-90.4-5.9178.5-60.6176.7000113.5A371 I372A371-L374 HydrophobicContact CB-CD1 4.25Å; A371-L374 HydrophobicContact CB-CG 4.42Å; A371-L374 WeakPolarHBondContact O-CB 3.21Å; A371-L374 PolarHBondContact O-N 2.76Å; A371-L374 VanDerWaalsContact O-N 3.12Å; I372-L374 PolarHBondContact O-N 2.73Å; I372-L374 VanDerWaalsContact O-N 3.08Å
375L93.9Very high94.3Very high17 Ų1734.7 Ų34.79%0.08921%0.213CC..SBendtrans-83.4159.2175.9-59.9-171.6000112V331 V363 Q370 I372 N379 Q380V331-L375 HydrophobicContact CG2-CD1 3.61Å; V363-L375 HydrophobicContact CG1-CD1 4.27Å; Q370-L375 HydrophobicContact CG-CD2 4.06Å; I372-L375 HydrophobicContact CG1-CD1 4.45Å; I372-L375 WeakPolarHBondContact O-CB 3.31Å; I372-L375 PolarHBondContact O-N 3.15Å; L375-N379 HydrophobicContact CB-CB 4.03Å; L375-N379 HydrophobicContact CD1-CB 4.19Å; L375-Q380 HydrophobicContact CB-CG 4.24Å; L375-Q380 PolarHBondContact O-NE2 3.38Å
376S92.6Very high94.2Very high61 Ų6133.3 Ų33.343%0.42720%0.204SC..  trans-64.3157.1173.372.40000112.1G378 N379 Q380S376-G378 VanDerWaalsContact C-N 3.29Å; S376-G378 PolarHBondContact O-N 3.5Å; S376-N379 PolarHBondContact O-N 2.89Å; S376-N379 PolarHBondContact OG-ND2 2.9Å; S376-Q380 WeakPolarHBondContact O-CG 3.31Å; S376-Q380 PolarHBondContact O-N 3.44Å
377G91Very high94.1Very high21 Ų2130.3 Ų30.322%0.21618%0.179CC..Hα-helixtrans-53.6-41.8-179.800000113.9Q380 Q381G377-Q380 PolarHBondContact O-N 2.86Å; G377-Q381 WeakPolarHBondContact O-CB 3.46Å; G377-Q381 PolarHBondContact O-N 3.36Å
378G91.2Very high94Very high2 Ų227.9 Ų27.92%0.02116%0.162CC..Hα-helixtrans-63-40.2175.500000113.5S376 Q381 K382S376-G378 VanDerWaalsContact C-N 3.29Å; S376-G378 PolarHBondContact O-N 3.5Å; G378-Q381 PolarHBondContact O-N 2.93Å; G378-K382 WeakPolarHBondContact O-CG 3.23Å; G378-K382 PolarHBondContact O-N 2.83Å
379N93.3Very high93.8Very high15 Ų1526.2 Ų26.28%0.0815%0.154CC..Hα-helixtrans-71.9-37.6176.6-74.6-64000112.4V363 K364 L375 S376 Q381 K382 V383V363-N379 HydrophobicContact CG1-CB 4.29Å; K364-N379 PolarHBondContact N-OD1 2.83Å; L375-N379 HydrophobicContact CB-CB 4.03Å; L375-N379 HydrophobicContact CD1-CB 4.19Å; S376-N379 PolarHBondContact O-N 2.89Å; S376-N379 PolarHBondContact OG-ND2 2.9Å; N379-Q381 VanDerWaalsContact C-N 3.28Å; N379-Q381 PolarHBondContact O-N 3.45Å; N379-K382 PolarHBondContact O-N 2.81Å; N379-V383 WeakPolarHBondContact O-CG2 3.39Å; N379-V383 PolarHBondContact O-N 2.93Å; N379-V383 VanDerWaalsContact O-N 3.08Å
380Q94.2Very high93.6Very high12 Ų1222.1 Ų22.16%0.05614%0.135CC..Hα-helixtrans-56.9-46.2171.8-70175.8-0.600110.6L325 I372 L375 S376 G377 V383 A384L325-Q380 HydrophobicContact CD1-CB 3.79Å; L325-Q380 HydrophobicContact CD1-CG 4.41Å; I372-Q380 HydrophobicContact CG1-CG 4.39Å; I372-Q380 PolarHBondContact O-NE2 2.77Å; L375-Q380 HydrophobicContact CB-CG 4.24Å; L375-Q380 PolarHBondContact O-NE2 3.38Å; S376-Q380 WeakPolarHBondContact O-CG 3.31Å; S376-Q380 PolarHBondContact O-N 3.44Å; G377-Q380 PolarHBondContact O-N 2.86Å; Q380-V383 PolarHBondContact O-N 2.86Å; Q380-A384 PolarHBondContact O-N 2.87Å
381Q92.9Very high93.2Very high3 Ų319.9 Ų19.91%0.01413%0.125CC..Hα-helixtrans-63.8-44.3179.6-169.465.518.300112.5G377 G378 N379 V383 A384 I385 P401 V405 I413G377-Q381 WeakPolarHBondContact O-CB 3.46Å; G377-Q381 PolarHBondContact O-N 3.36Å; G378-Q381 PolarHBondContact O-N 2.93Å; N379-Q381 VanDerWaalsContact C-N 3.28Å; N379-Q381 PolarHBondContact O-N 3.45Å; Q381-V383 VanDerWaalsContact C-N 3.28Å; Q381-V383 PolarHBondContact O-N 2.81Å; Q381-A384 WeakPolarHBondContact O-CB 3.38Å; Q381-A384 PolarHBondContact O-N 2.93Å; Q381-A384 VanDerWaalsContact O-N 3.11Å; Q381-I385 HydrophobicContact CG-CD1 4.16Å; Q381-I385 WeakPolarHBondContact O-CG1 3.47Å; Q381-I385 PolarHBondContact O-N 3.19Å; Q381-P401 VanDerWaalsContact CD-O 3.23Å; Q381-P401 WeakPolarHBondContact CG-O 3.33Å; Q381-P401 PolarHBondContact NE2-O 3.44Å; Q381-V405 HydrophobicContact CB-CG1 4.08Å; Q381-V405 HydrophobicContact CG-CG1 4.45Å; Q381-I413 HydrophobicContact CB-CD1 4.28Å; Q381-I413 HydrophobicContact CG-CD1 3.9Å
382K93.1Very high92.8Very high3 Ų328.4 Ų28.41%0.01315%0.15CC..Hα-helixtrans-56.6-41.8174.4-74.2170.3170.8-156.10112.4F361 N362 V363 G378 N379 I385 A386 E412 I413F361-K382 HydrophobicContact CB-CB 4.3Å; F361-K382 HydrophobicContact CD1-CB 4.04Å; F361-K382 HydrophobicContact CD1-CG 4.38Å; F361-K382 WeakPolarHBondContact CD1-O 3.25Å; F361-K382 VanDerWaalsContact O-CD 3.29Å; F361-K382 WeakPolarHBondContact O-CD 3.32Å; F361-K382 WeakPolarHBondContact O-CE 3.46Å; F361-K382 PolarHBondContact O-NZ 2.66Å; N362-K382 PolarHBondContact O-NZ 2.87Å; V363-K382 HydrophobicContact CG2-CB 4.03Å; G378-K382 WeakPolarHBondContact O-CG 3.23Å; G378-K382 PolarHBondContact O-N 2.83Å; N379-K382 PolarHBondContact O-N 2.81Å; K382-I385 PolarHBondContact O-N 3.32Å; K382-A386 VanDerWaalsContact O-CB 3.26Å; K382-A386 WeakPolarHBondContact O-CB 3.47Å; K382-A386 PolarHBondContact O-N 3.32Å; K382-E412 WeakPolarHBondContact CE-OE2 3.48Å; K382-E412 IonicContact NZ-OE2 3.08Å; K382-E412 PolarHBondContact NZ-OE2 2.85Å; K382-I413 HydrophobicContact CG-CG1 4.45Å
383V94.8Very high92.7Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-67.9-37.6176.8176.40000111.5V331 N334 M335 V363 I372 N379 Q380 Q381 A386 R387V331-V383 HydrophobicContact CG1-CG1 4.37Å; V331-V383 HydrophobicContact CG1-CG2 3.91Å; N334-V383 HydrophobicContact CB-CG1 4.16Å; M335-V383 HydrophobicContact CB-CG1 4.14Å; M335-V383 HydrophobicContact CE-CB 4.46Å; M335-V383 HydrophobicContact CE-CG1 4.21Å; M335-V383 HydrophobicContact CE-CG2 4.08Å; M335-V383 HydrophobicContact CG-CG1 4.48Å; V363-V383 HydrophobicContact CG1-CG2 3.81Å; V363-V383 HydrophobicContact CG2-CG2 4.14Å; I372-V383 HydrophobicContact CD1-CB 3.75Å; I372-V383 HydrophobicContact CD1-CG1 3.46Å; I372-V383 VanDerWaalsContact CD1-CG1 3.46Å; I372-V383 HydrophobicContact CD1-CG2 4.31Å; N379-V383 WeakPolarHBondContact O-CG2 3.39Å; N379-V383 PolarHBondContact O-N 2.93Å; N379-V383 VanDerWaalsContact O-N 3.08Å; Q380-V383 PolarHBondContact O-N 2.86Å; Q381-V383 VanDerWaalsContact C-N 3.28Å; Q381-V383 PolarHBondContact O-N 2.81Å; V383-A386 PolarHBondContact O-N 3.38Å; V383-R387 WeakPolarHBondContact O-CB 3.41Å; V383-R387 PolarHBondContact O-N 2.76Å
384A94.3Very high92.8Very high3 Ų331.6 Ų31.63%0.02516%0.156CC..Hα-helixtrans-62.3-44.9174.600000111.9I316 L325 Q380 Q381 R387 G388I316-A384 WeakPolarHBondContact CD1-O 3.35Å; I316-A384 HydrophobicContact CG2-CB 4.36Å; L325-A384 HydrophobicContact CD2-CB 3.86Å; L325-A384 HydrophobicContact CG-CB 4.26Å; Q380-A384 PolarHBondContact O-N 2.87Å; Q381-A384 WeakPolarHBondContact O-CB 3.38Å; Q381-A384 PolarHBondContact O-N 2.93Å; Q381-A384 VanDerWaalsContact O-N 3.11Å; A384-R387 WeakPolarHBondContact O-CB 2.99Å; A384-R387 PolarHBondContact O-N 2.95Å; A384-G388 PolarHBondContact O-N 3.26Å
385I93.5Very high92.9Very high5 Ų525.3 Ų25.33%0.02612%0.122CC..Hα-helixtrans-64.5-45.5176.2-63.1168.7000110.4I316 F361 Q381 K382 R387 G388 L389 L398 I413I316-I385 HydrophobicContact CG2-CG1 4.39Å; F361-I385 HydrophobicContact CE1-CB 3.99Å; F361-I385 HydrophobicContact CE1-CG2 3.67Å; F361-I385 HydrophobicContact CZ-CG2 4.06Å; Q381-I385 HydrophobicContact CG-CD1 4.16Å; Q381-I385 WeakPolarHBondContact O-CG1 3.47Å; Q381-I385 PolarHBondContact O-N 3.19Å; K382-I385 PolarHBondContact O-N 3.32Å; I385-R387 VanDerWaalsContact C-N 3.31Å; I385-R387 PolarHBondContact O-N 3.28Å; I385-G388 PolarHBondContact O-N 3.08Å; I385-G388 VanDerWaalsContact O-N 3.12Å; I385-L389 HydrophobicContact CG2-CD1 3.76Å; I385-L389 PolarHBondContact O-N 3.37Å; I385-L398 HydrophobicContact CG1-CD2 4.21Å; I385-I413 HydrophobicContact CD1-CG1 4.44Å; I385-I413 HydrophobicContact CD1-CG2 3.93Å
386A93.2Very high93.1Very high0 Ų024.6 Ų24.60%012%0.119CC..Hα-helixtrans-57.9-42.1176.100000112.2M335 F357 F361 K382 V383 G388 L389 M390M335-A386 HydrophobicContact CE-CB 3.8Å; M335-A386 HydrophobicContact CG-CB 3.84Å; M335-A386 HydrophobicContact SD-CB 4.02Å; F357-A386 HydrophobicContact CB-CB 4.45Å; F357-A386 HydrophobicContact CD1-CB 3.77Å; F361-A386 HydrophobicContact CD1-CB 4.35Å; F361-A386 HydrophobicContact CD2-CB 3.92Å; F361-A386 HydrophobicContact CE1-CB 4.34Å; F361-A386 HydrophobicContact CE2-CB 3.91Å; F361-A386 HydrophobicContact CG-CB 4.18Å; F361-A386 HydrophobicContact CZ-CB 4.15Å; K382-A386 VanDerWaalsContact O-CB 3.26Å; K382-A386 WeakPolarHBondContact O-CB 3.47Å; K382-A386 PolarHBondContact O-N 3.32Å; V383-A386 PolarHBondContact O-N 3.38Å; A386-G388 VanDerWaalsContact C-N 3.28Å; A386-G388 PolarHBondContact O-N 3.34Å; A386-L389 PolarHBondContact O-N 3.04Å; A386-L389 VanDerWaalsContact O-N 3.16Å; A386-M390 WeakPolarHBondContact O-CG 3.4Å; A386-M390 PolarHBondContact O-N 3.44Å
387R93Very high93.4Very high49 Ų4921.7 Ų21.719%0.18510%0.098CC..Hα-helixtrans-54.4-45.4174.6174.2-172174.5-172.9-0.7111.7G324 N334 M335 T338 V383 A384 I385G324-R387 PolarHBondContact O-NH1 3.11Å; N334-R387 VanDerWaalsContact O-CD 3.23Å; N334-R387 WeakPolarHBondContact O-CD 3.43Å; N334-R387 VanDerWaalsContact O-CG 3.31Å; N334-R387 WeakPolarHBondContact O-CG 3.32Å; M335-R387 VanDerWaalsContact O-CA 3.31Å; M335-R387 WeakPolarHBondContact O-CA 3.49Å; T338-R387 HydrophobicContact CG2-CG 4.45Å; T338-R387 VanDerWaalsContact CG2-NH2 3.35Å; T338-R387 WeakPolarHBondContact OG1-CG 3.37Å; T338-R387 PolarHBondContact OG1-O 2.99Å; T338-R387 VanDerWaalsContact OG1-O 3.11Å; V383-R387 WeakPolarHBondContact O-CB 3.41Å; V383-R387 PolarHBondContact O-N 2.76Å; A384-R387 WeakPolarHBondContact O-CB 2.99Å; A384-R387 PolarHBondContact O-N 2.95Å; I385-R387 VanDerWaalsContact C-N 3.31Å; I385-R387 PolarHBondContact O-N 3.28Å
388G92Very high93.7Very high2 Ų220.7 Ų20.72%0.0219%0.088CC..Hα-helixtrans-61.8-49.5176.200000112.1A384 I385 A386 M390 T391A384-G388 PolarHBondContact O-N 3.26Å; I385-G388 PolarHBondContact O-N 3.08Å; I385-G388 VanDerWaalsContact O-N 3.12Å; A386-G388 VanDerWaalsContact C-N 3.28Å; A386-G388 PolarHBondContact O-N 3.34Å; G388-M390 PolarHBondContact O-N 3.17Å; G388-T391 WeakPolarHBondContact O-CB 3.43Å; G388-T391 PolarHBondContact O-N 2.83Å; G388-T391 VanDerWaalsContact O-N 3.16Å; G388-T391 PolarHBondContact O-OG1 3.02Å
389L92Very high93.9Very high14 Ų1420.6 Ų20.67%0.0739%0.087CC..Hα-helixtrans-70.1-26.7-175.3-73.7162.1000114.5F357 F361 I385 A386 T391 R392 P393 L396 F420 L425F357-L389 HydrophobicContact CE1-CB 3.78Å; F357-L389 HydrophobicContact CZ-CB 4.32Å; F361-L389 HydrophobicContact CE1-CD1 4.39Å; F361-L389 HydrophobicContact CE2-CD1 4.26Å; F361-L389 HydrophobicContact CZ-CD1 3.47Å; F361-L389 VanDerWaalsContact CZ-CD1 3.47Å; I385-L389 HydrophobicContact CG2-CD1 3.76Å; I385-L389 PolarHBondContact O-N 3.37Å; A386-L389 PolarHBondContact O-N 3.04Å; A386-L389 VanDerWaalsContact O-N 3.16Å; L389-T391 PolarHBondContact O-N 3.3Å; L389-R392 PolarHBondContact O-N 3.36Å; L389-P393 HydrophobicContact CD2-CG 4.25Å; L389-L396 HydrophobicContact CD2-CD2 4.01Å; L389-L396 HydrophobicContact CG-CD2 4.18Å; L389-F420 HydrophobicContact CD1-CD1 4.4Å; L389-F420 HydrophobicContact CD1-CD2 3.66Å; L389-F420 HydrophobicContact CD1-CE1 4.09Å; L389-F420 HydrophobicContact CD1-CE2 3.31Å; L389-F420 HydrophobicContact CD1-CG 4.22Å; L389-F420 HydrophobicContact CD1-CZ 3.56Å; L389-F420 HydrophobicContact CD2-CD1 4.3Å; L389-F420 HydrophobicContact CD2-CD2 4.44Å; L389-F420 HydrophobicContact CD2-CG 4.26Å; L389-L425 HydrophobicContact CD2-CD2 3.46Å; L389-L425 VanDerWaalsContact CD2-CD2 3.46Å
390M91Very high94Very high7 Ų720.3 Ų20.33%0.0349%0.085CC..THydrogen-bonded Turntrans-59-19.7172.7-76.4-170.286.500112.7M335 A339 F343 A353 V354 F357 A386 G388 R392M335-M390 HydrophobicContact CB-SD 4.18Å; M335-M390 HydrophobicContact CG-CG 4.49Å; M335-M390 HydrophobicContact CG-SD 3.53Å; M335-M390 VanDerWaalsContact CG-SD 3.53Å; M335-M390 HydrophobicContact SD-SD 4.04Å; A339-M390 HydrophobicContact CB-CB 3.7Å; F343-M390 HydrophobicContact CE1-CE 4.49Å; F343-M390 HydrophobicContact CE2-CE 3.49Å; F343-M390 VanDerWaalsContact CE2-CE 3.49Å; F343-M390 HydrophobicContact CZ-CE 3.48Å; F343-M390 VanDerWaalsContact CZ-CE 3.48Å; A353-M390 HydrophobicContact CB-CE 3.86Å; V354-M390 HydrophobicContact CG2-CE 3.99Å; V354-M390 HydrophobicContact CG2-SD 4.44Å; F357-M390 HydrophobicContact CD1-CG 4.09Å; F357-M390 HydrophobicContact CD2-CE 4.46Å; F357-M390 HydrophobicContact CD2-CG 3.73Å; F357-M390 HydrophobicContact CD2-SD 4.37Å; F357-M390 HydrophobicContact CE1-CG 4Å; F357-M390 HydrophobicContact CE2-CG 3.62Å; F357-M390 HydrophobicContact CG-CG 3.97Å; F357-M390 HydrophobicContact CZ-CB 4.47Å; F357-M390 HydrophobicContact CZ-CG 3.76Å; A386-M390 WeakPolarHBondContact O-CG 3.4Å; A386-M390 PolarHBondContact O-N 3.44Å; G388-M390 PolarHBondContact O-N 3.17Å; M390-R392 VanDerWaalsContact C-N 3.3Å
391T88.8Confident94Very high4 Ų419.7 Ų19.73%0.0258%0.083CC..THydrogen-bonded Turntrans-84.6-2.9176.374.10000113.9L309 V314 T338 A339 Y342 G388 L389L309-T391 HydrophobicContact CD1-CG2 3.91Å; V314-T391 VanDerWaalsContact CG2-OG1 3.32Å; V314-T391 WeakPolarHBondContact CG2-OG1 3.4Å; T338-T391 WeakPolarHBondContact O-CG2 3.11Å; A339-T391 HydrophobicContact CB-CG2 4.09Å; Y342-T391 PolarHBondContact OH-O 3.34Å; G388-T391 WeakPolarHBondContact O-CB 3.43Å; G388-T391 PolarHBondContact O-N 2.83Å; G388-T391 VanDerWaalsContact O-N 3.16Å; G388-T391 PolarHBondContact O-OG1 3.02Å; L389-T391 PolarHBondContact O-N 3.3Å
392R89.1Confident94Very high213 Ų21319.6 Ų19.680%0.8048%0.082SC*.  trans52.559.9-175.6-59.6-178.6177.4177.8-2.2112.1L389 M390L389-R392 PolarHBondContact O-N 3.36Å; M390-R392 VanDerWaalsContact C-N 3.3Å
393P94.8Very high93.8Very high13 Ų1325.9 Ų25.98%0.08411%0.106CC..  trans-61.9153.8-179.325.5-32.2000111.7V314 L389 L396 L425V314-P393 HydrophobicContact CB-CB 3.98Å; V314-P393 HydrophobicContact CB-CG 4.4Å; V314-P393 HydrophobicContact CG2-CB 3.68Å; V314-P393 HydrophobicContact CG2-CG 4.25Å; L389-P393 HydrophobicContact CD2-CG 4.25Å; P393-L396 HydrophobicContact CG-CB 4.39Å; P393-L425 HydrophobicContact CB-CD1 4.48Å; P393-L425 HydrophobicContact CG-CD1 4.11Å; P393-L425 WeakPolarHBondContact O-CD1 3.5Å
394K95.7Very high93.3Very high87 Ų8728.9 Ų28.938%0.37814%0.137SC..SBendtrans-85.6-35.5164.5-66.6177.1170.3-165.80111L295 D296 G312L295-K394 HydrophobicContact CD2-CD 3.76Å; L295-K394 HydrophobicContact CG-CD 4.36Å; D296-K394 WeakPolarHBondContact OD2-CD 3.39Å; D296-K394 WeakPolarHBondContact OD2-CE 3.49Å; D296-K394 IonicContact OD2-NZ 3.22Å; D296-K394 PolarHBondContact OD2-NZ 3.41Å; G312-K394 PolarHBondContact O-N 3.06Å
395V98.1Very high93.1Very high0 Ų029.5 Ų29.50%014%0.14CC..EExtended strand (participates in β ladder)trans-128.1124.5176.2178.50000109R241 L242 L259 L295 G312 I313 V314 I397 S426 I428R241-V395 HydrophobicContact CG-CG2 3.54Å; L242-V395 HydrophobicContact CB-CG2 4.28Å; L259-V395 HydrophobicContact CD2-CG1 3.77Å; L259-V395 HydrophobicContact CD2-CG2 4.01Å; L295-V395 HydrophobicContact CD1-CG2 3.65Å; G312-V395 PolarHBondContact O-N 2.99Å; I313-V395 HydrophobicContact CG1-CB 4.44Å; V314-V395 PolarHBondContact N-O 3.31Å; V395-I397 HydrophobicContact CG1-CG1 4.21Å; V395-S426 WeakPolarHBondContact CA-O 3.5Å; V395-I428 HydrophobicContact CG1-CD1 4.32Å; V395-I428 HydrophobicContact CG1-CG1 4.34Å
396L97.8Very high92.9Very high2 Ų233.8 Ų33.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-109.2116.3173.1-179.466.2000109.8V314 I316 L389 P393 L398 L425 S426 I427 I428V314-L396 HydrophobicContact CB-CD1 4.07Å; V314-L396 HydrophobicContact CG1-CD1 3.72Å; I316-L396 HydrophobicContact CD1-CD1 4.46Å; I316-L396 HydrophobicContact CG1-CD1 3.89Å; L389-L396 HydrophobicContact CD2-CD2 4.01Å; L389-L396 HydrophobicContact CG-CD2 4.18Å; P393-L396 HydrophobicContact CG-CB 4.39Å; L396-L398 HydrophobicContact CD1-CD2 4.32Å; L396-L398 HydrophobicContact CD2-CD1 4.41Å; L396-L398 HydrophobicContact CD2-CD2 3.97Å; L396-L398 HydrophobicContact CD2-CG 4.22Å; L396-L398 HydrophobicContact CG-CD2 3.96Å; L396-L398 HydrophobicContact CG-CG 4.12Å; L396-L425 HydrophobicContact CB-CD1 4.43Å; L396-L425 HydrophobicContact CB-CD2 3.9Å; L396-L425 HydrophobicContact CB-CG 4.35Å; L396-L425 HydrophobicContact CD2-CD2 3.95Å; L396-S426 PolarHBondContact N-O 3.39Å; L396-I427 HydrophobicContact CB-CG1 4.46Å; L396-I427 CarbonylContact O-C 3.59Å; L396-I427 VanDerWaalsContact O-CA 3.26Å; L396-I427 WeakPolarHBondContact O-CA 3.34Å; L396-I428 PolarHBondContact O-N 2.9Å
397I98.2Very high92.8Very high0 Ų039.7 Ų39.70%020%0.199CC..EExtended strand (participates in β ladder)trans-95.7121.5173.9-52.9175.5000108.2M279 L282 I313 V314 Y315 I316 V395 I428M279-I397 HydrophobicContact CB-CG2 3.85Å; M279-I397 HydrophobicContact CG-CG2 3.53Å; M279-I397 HydrophobicContact SD-CD1 4.13Å; M279-I397 HydrophobicContact SD-CG1 4.48Å; M279-I397 HydrophobicContact SD-CG2 3.56Å; M279-I397 VanDerWaalsContact SD-CG2 3.56Å; L282-I397 HydrophobicContact CB-CD1 4.35Å; I313-I397 HydrophobicContact CG2-CD1 3.86Å; I313-I397 HydrophobicContact CG2-CG1 4.43Å; V314-I397 PolarHBondContact O-N 3.02Å; Y315-I397 HydrophobicContact CD2-CB 4.1Å; Y315-I397 HydrophobicContact CD2-CG2 3.77Å; Y315-I397 HydrophobicContact CE2-CG2 4.27Å; I316-I397 PolarHBondContact N-O 3.24Å; V395-I397 HydrophobicContact CG1-CG1 4.21Å; I397-I428 WeakPolarHBondContact CA-O 3.41Å; I397-I428 HydrophobicContact CG1-CB 4.26Å; I397-I428 HydrophobicContact CG1-CD1 4.24Å; I397-I428 HydrophobicContact CG1-CG1 4.49Å; I397-I428 HydrophobicContact CG2-CB 4.35Å
398L97.4Very high92.5Very high0 Ų039.2 Ų39.20%021%0.21CC..EExtended strand (participates in β ladder)trans-112.5108177.8-65.1179.9000108.8I316 I385 L396 P401 I417 I427 I428 L429 V430I316-L398 HydrophobicContact CB-CD2 3.84Å; I316-L398 HydrophobicContact CG1-CD2 3.73Å; I316-L398 HydrophobicContact CG2-CD2 4.37Å; I385-L398 HydrophobicContact CG1-CD2 4.21Å; L396-L398 HydrophobicContact CD1-CD2 4.32Å; L396-L398 HydrophobicContact CD2-CD1 4.41Å; L396-L398 HydrophobicContact CD2-CD2 3.97Å; L396-L398 HydrophobicContact CD2-CG 4.22Å; L396-L398 HydrophobicContact CG-CD2 3.96Å; L396-L398 HydrophobicContact CG-CG 4.12Å; L398-P401 HydrophobicContact CB-CB 4.07Å; L398-P401 HydrophobicContact CB-CG 4Å; L398-I417 HydrophobicContact CD1-CD1 3.56Å; L398-I417 HydrophobicContact CD1-CG1 3.71Å; L398-I427 HydrophobicContact CD1-CG2 4.01Å; L398-I427 HydrophobicContact CG-CG2 4.33Å; L398-I428 PolarHBondContact N-O 3.23Å; L398-L429 HydrophobicContact CB-CD1 4.15Å; L398-V430 PolarHBondContact O-N 3Å
399D96.1Very high92.4Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-99.5111.4-179.2-160.1-2.5000110.7T276 Y315 I316 S317 E318T276-D399 WeakPolarHBondContact CG2-OD2 3.41Å; T276-D399 PolarHBondContact OG1-OD2 3.38Å; T276-D399 VanDerWaalsContact OG1-OD2 3.09Å; Y315-D399 HydrophobicContact CE2-CB 3.65Å; Y315-D399 PolarHBondContact OH-OD2 3.02Å; I316-D399 WeakPolarHBondContact O-CB 3.26Å; I316-D399 PolarHBondContact O-N 3.29Å; S317-D399 CarbonylContact C-O 3.51Å; E318-D399 WeakPolarHBondContact CA-O 3.37Å; E318-D399 HydrophobicContact CB-CB 4.48Å; E318-D399 PolarHBondContact N-O 3.19Å
400E94.3Very high92.4Very high9 Ų940.2 Ų40.24%0.04221%0.214CC..SBendtrans46.553.1-175.9-56.9-80.4176.500112.1R275 E318 T402 R403 V430 S432R275-E400 IonicContact CZ-OE1 2.74Å; R275-E400 IonicContact NH1-OE1 3.89Å; R275-E400 PolarHBondContact NH1-OE1 2.85Å; R275-E400 VanDerWaalsContact NH1-OE1 3.13Å; R275-E400 IonicContact NH2-OE1 2.6Å; R275-E400 PolarHBondContact NH2-OE1 3.46Å; R275-E400 VanDerWaalsContact NH2-OE1 3.08Å; E318-E400 HydrophobicContact CB-CB 3.98Å; E318-E400 HydrophobicContact CB-CG 4.18Å; E318-E400 HydrophobicContact CG-CB 3.76Å; E318-E400 HydrophobicContact CG-CG 3.88Å; E400-T402 PolarHBondContact O-N 3.31Å; E400-R403 HydrophobicContact CB-CB 4.14Å; E400-R403 VanDerWaalsContact O-CB 3.3Å; E400-R403 WeakPolarHBondContact O-CB 3.36Å; E400-R403 PolarHBondContact O-N 3.36Å; E400-V430 WeakPolarHBondContact CA-O 3.46Å; E400-V430 PolarHBondContact N-O 3.29Å; E400-S432 VanDerWaalsContact CD-N 3.31Å; E400-S432 VanDerWaalsContact CD-OG 3.31Å; E400-S432 WeakPolarHBondContact OE1-CB 3.07Å; E400-S432 PolarHBondContact OE1-N 3.02Å; E400-S432 PolarHBondContact OE1-OG 2.5Å; E400-S432 VanDerWaalsContact OE1-OG 3.08Å; E400-S432 PolarHBondContact OE2-N 2.97Å; E400-S432 PolarHBondContact OE2-OG 3.49Å
401P93.8Very high92.4Very high0 Ų046.5 Ų46.50%024%0.241CC..THydrogen-bonded Turntrans-66.5-16.2-165.228.4-36.7000113.9Q381 L398 L429Q381-P401 VanDerWaalsContact CD-O 3.23Å; Q381-P401 WeakPolarHBondContact CG-O 3.33Å; Q381-P401 PolarHBondContact NE2-O 3.44Å; L398-P401 HydrophobicContact CB-CB 4.07Å; L398-P401 HydrophobicContact CB-CG 4Å; P401-L429 HydrophobicContact CG-CD1 3.43Å; P401-L429 VanDerWaalsContact CG-CD1 3.43Å
402T92.9Very high92.5Very high1 Ų149 Ų491%0.00625%0.253CS..THydrogen-bonded Turntrans-105.412.3177.762.90000113.8E400 G404 V405 K410 I413 Y414 E436E400-T402 PolarHBondContact O-N 3.31Å; T402-G404 PolarHBondContact O-N 2.89Å; T402-V405 HydrophobicContact CG2-CG2 4.43Å; T402-V405 WeakPolarHBondContact O-CG2 3.37Å; T402-V405 PolarHBondContact O-N 3.45Å; T402-K410 HydrophobicContact CG2-CB 4.13Å; T402-K410 HydrophobicContact CG2-CD 4.14Å; T402-K410 HydrophobicContact CG2-CG 3.86Å; T402-K410 WeakPolarHBondContact O-CE 3.39Å; T402-I413 HydrophobicContact CG2-CG2 4.36Å; T402-Y414 HydrophobicContact CG2-CD1 4.4Å; T402-Y414 HydrophobicContact CG2-CE1 3.54Å; T402-E436 WeakPolarHBondContact CB-OE1 3.45Å; T402-E436 WeakPolarHBondContact CG2-OE1 3.2Å; T402-E436 VanDerWaalsContact OG1-CD 3.23Å; T402-E436 PolarHBondContact OG1-OE1 2.83Å; T402-E436 PolarHBondContact OG1-OE2 2.98Å
403R88.6Confident92.7Very high134 Ų13438.9 Ų38.951%0.50621%0.214SC..THydrogen-bonded Turntrans-63.8120.6178.6-168.3178.5-176.2-172.314.5112E318 R320 E400 V405E318-R403 IonicContact OE1-CZ 3.92Å; E318-R403 IonicContact OE1-NE 2.81Å; E318-R403 IonicContact OE1-NH1 3.02Å; E318-R403 PolarHBondContact OE1-NH1 2.97Å; E318-R403 IonicContact OE1-NH2 2.73Å; R320-R403 PolarHBondContact NH1-O 3.35Å; E400-R403 HydrophobicContact CB-CB 4.14Å; E400-R403 VanDerWaalsContact O-CB 3.3Å; E400-R403 WeakPolarHBondContact O-CB 3.36Å; E400-R403 PolarHBondContact O-N 3.36Å; R403-V405 VanDerWaalsContact C-N 3.32Å; R403-V405 PolarHBondContact O-N 3.43Å
404G84.6Confident92.7Very high63 Ų6340.7 Ų40.765%0.64922%0.22SC*.THydrogen-bonded Turntrans64.833.7176.500000113.9R320 T402R320-G404 PolarHBondContact NH2-O 2.94Å; T402-G404 PolarHBondContact O-N 2.89Å
405V90.1Very high92.5Very high17 Ų1742 Ų4210%0.10323%0.227CC..  trans-114.1151.9166.8-46.30000109.7Q381 T402 R403 A409 K410 I413Q381-V405 HydrophobicContact CB-CG1 4.08Å; Q381-V405 HydrophobicContact CG-CG1 4.45Å; T402-V405 HydrophobicContact CG2-CG2 4.43Å; T402-V405 WeakPolarHBondContact O-CG2 3.37Å; T402-V405 PolarHBondContact O-N 3.45Å; R403-V405 VanDerWaalsContact C-N 3.32Å; R403-V405 PolarHBondContact O-N 3.43Å; V405-A409 HydrophobicContact CB-CB 4.19Å; V405-A409 HydrophobicContact CG2-CB 4.27Å; V405-K410 HydrophobicContact CG2-CB 4.43Å; V405-K410 HydrophobicContact CG2-CD 4.49Å; V405-K410 HydrophobicContact CG2-CG 3.45Å; V405-K410 VanDerWaalsContact CG2-CG 3.45Å; V405-I413 HydrophobicContact CG2-CD1 4.31Å
406D90.5Very high92.2Very high94 Ų9443 Ų4350%0.50323%0.232SC..  trans-71.6161.7178.765.185.3000112.3G408 A409 K410D406-G408 PolarHBondContact O-N 3.44Å; D406-G408 WeakPolarHBondContact OD1-CA 3.38Å; D406-G408 PolarHBondContact OD1-N 2.91Å; D406-A409 PolarHBondContact O-N 3.47Å; D406-A409 VanDerWaalsContact O-N 3.13Å; D406-A409 PolarHBondContact OD1-N 3.03Å; D406-K410 WeakPolarHBondContact O-CG 3.36Å; D406-K410 PolarHBondContact O-N 3.23Å
407V89.4Confident92Very high124 Ų12443 Ų4375%0.75223%0.233SC*.Hα-helixtrans-57.6-35.4-176.4-179.90000112.6K410 K411V407-K410 PolarHBondContact O-N 3.35Å; V407-K411 PolarHBondContact O-N 3.44Å
408G88.4Confident91.7Very high40 Ų4046.5 Ų46.541%0.41225%0.251SS..Hα-helixtrans-66.9-48.1177.400000111.4D406 K410 K411 E412D406-G408 PolarHBondContact O-N 3.44Å; D406-G408 WeakPolarHBondContact OD1-CA 3.38Å; D406-G408 PolarHBondContact OD1-N 2.91Å; G408-K410 VanDerWaalsContact C-N 3.32Å; G408-K410 PolarHBondContact O-N 2.67Å; G408-K411 PolarHBondContact O-N 2.69Å; G408-E412 PolarHBondContact O-N 3.3Å
409A89Confident91.5Very high6 Ų651.2 Ų51.25%0.0527%0.273CS..Hα-helixtrans-61.7-36.9175.500000112.7V405 D406 K411 E412 I413V405-A409 HydrophobicContact CB-CB 4.19Å; V405-A409 HydrophobicContact CG2-CB 4.27Å; D406-A409 PolarHBondContact O-N 3.47Å; D406-A409 VanDerWaalsContact O-N 3.13Å; D406-A409 PolarHBondContact OD1-N 3.03Å; A409-K411 PolarHBondContact O-N 3.45Å; A409-E412 PolarHBondContact O-N 2.96Å; A409-I413 WeakPolarHBondContact O-CG1 3.06Å; A409-I413 PolarHBondContact O-N 2.99Å
410K92.4Very high91.3Very high31 Ų3152.5 Ų52.514%0.13528%0.279CS..Hα-helixtrans-56.1-50174-67.9-156.7177.6-1660111.5T402 V405 D406 V407 G408 E412 I413 Y414 E433T402-K410 HydrophobicContact CG2-CB 4.13Å; T402-K410 HydrophobicContact CG2-CD 4.14Å; T402-K410 HydrophobicContact CG2-CG 3.86Å; T402-K410 WeakPolarHBondContact O-CE 3.39Å; V405-K410 HydrophobicContact CG2-CB 4.43Å; V405-K410 HydrophobicContact CG2-CD 4.49Å; V405-K410 HydrophobicContact CG2-CG 3.45Å; V405-K410 VanDerWaalsContact CG2-CG 3.45Å; D406-K410 WeakPolarHBondContact O-CG 3.36Å; D406-K410 PolarHBondContact O-N 3.23Å; V407-K410 PolarHBondContact O-N 3.35Å; G408-K410 VanDerWaalsContact C-N 3.32Å; G408-K410 PolarHBondContact O-N 2.67Å; K410-E412 VanDerWaalsContact C-N 3.32Å; K410-E412 PolarHBondContact O-N 2.95Å; K410-I413 PolarHBondContact O-N 3.16Å; K410-I413 VanDerWaalsContact O-N 3.14Å; K410-Y414 HydrophobicContact CB-CE2 4.27Å; K410-Y414 WeakPolarHBondContact O-CD1 3.18Å; K410-Y414 VanDerWaalsContact O-CG 3.27Å; K410-Y414 PolarHBondContact O-N 3.03Å; K410-E433 IonicContact NZ-OE1 3.86Å; K410-E433 PolarHBondContact NZ-OE1 3.19Å; K410-E433 IonicContact NZ-OE2 3.67Å; K410-E433 PolarHBondContact NZ-OE2 3.08Å
411K91.3Very high91.2Very high138 Ų13854.5 Ų54.560%0.629%0.287SS*.Hα-helixtrans-59.1-42.8179.7-174.8180178.6-1800112.2V407 G408 A409 I413 Y414 Q415V407-K411 PolarHBondContact O-N 3.44Å; G408-K411 PolarHBondContact O-N 2.69Å; A409-K411 PolarHBondContact O-N 3.45Å; K411-I413 VanDerWaalsContact C-N 3.35Å; K411-Y414 PolarHBondContact O-N 3.48Å; K411-Q415 WeakPolarHBondContact O-CG 3.33Å; K411-Q415 PolarHBondContact O-N 3.02Å; K411-Q415 VanDerWaalsContact O-N 3.08Å
412E91Very high91Very high58 Ų5858.3 Ų58.327%0.27132%0.319SS..Hα-helixtrans-64.6-39.2177.5-67.1176.5175.500111.7K382 G408 A409 K410 Q415 L416K382-E412 WeakPolarHBondContact CE-OE2 3.48Å; K382-E412 IonicContact NZ-OE2 3.08Å; K382-E412 PolarHBondContact NZ-OE2 2.85Å; G408-E412 PolarHBondContact O-N 3.3Å; A409-E412 PolarHBondContact O-N 2.96Å; K410-E412 VanDerWaalsContact C-N 3.32Å; K410-E412 PolarHBondContact O-N 2.95Å; E412-Q415 PolarHBondContact O-N 2.91Å; E412-L416 WeakPolarHBondContact O-CG 3.24Å; E412-L416 PolarHBondContact O-N 3.27Å; E412-L416 VanDerWaalsContact O-N 3.11Å
413I92.3Very high90.8Very high0 Ų063.7 Ų63.70%035%0.347CS..Hα-helixtrans-64.4-43.2175.2-69.6165.9000111Q381 K382 I385 T402 V405 A409 K410 K411 Q415 L416 I417Q381-I413 HydrophobicContact CB-CD1 4.28Å; Q381-I413 HydrophobicContact CG-CD1 3.9Å; K382-I413 HydrophobicContact CG-CG1 4.45Å; I385-I413 HydrophobicContact CD1-CG1 4.44Å; I385-I413 HydrophobicContact CD1-CG2 3.93Å; T402-I413 HydrophobicContact CG2-CG2 4.36Å; V405-I413 HydrophobicContact CG2-CD1 4.31Å; A409-I413 WeakPolarHBondContact O-CG1 3.06Å; A409-I413 PolarHBondContact O-N 2.99Å; K410-I413 PolarHBondContact O-N 3.16Å; K410-I413 VanDerWaalsContact O-N 3.14Å; K411-I413 VanDerWaalsContact C-N 3.35Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 3.27Å; I413-L416 WeakPolarHBondContact O-CB 3.46Å; I413-L416 PolarHBondContact O-N 3.02Å; I413-I417 HydrophobicContact CG2-CD1 3.8Å; I413-I417 HydrophobicContact CG2-CG1 4.41Å; I413-I417 WeakPolarHBondContact O-CG1 3.34Å; I413-I417 PolarHBondContact O-N 3.44Å
414Y94.6Very high90.9Very high51 Ų5159 Ų5920%0.234%0.341CS..Hα-helixtrans-60.5-41.7176.6-62.9-18.6000112.7T402 K410 K411 L416 I417 N418 E436 M440T402-Y414 HydrophobicContact CG2-CD1 4.4Å; T402-Y414 HydrophobicContact CG2-CE1 3.54Å; K410-Y414 HydrophobicContact CB-CE2 4.27Å; K410-Y414 WeakPolarHBondContact O-CD1 3.18Å; K410-Y414 VanDerWaalsContact O-CG 3.27Å; K410-Y414 PolarHBondContact O-N 3.03Å; K411-Y414 PolarHBondContact O-N 3.48Å; Y414-L416 VanDerWaalsContact C-N 3.34Å; Y414-L416 PolarHBondContact O-N 2.9Å; Y414-I417 PolarHBondContact O-N 3Å; Y414-N418 PolarHBondContact O-N 2.74Å; Y414-N418 PolarHBondContact O-ND2 3.47Å; Y414-E436 HydrophobicContact CE1-CG 3.79Å; Y414-E436 VanDerWaalsContact CE1-OE1 3.23Å; Y414-E436 WeakPolarHBondContact CE1-OE1 3.37Å; Y414-E436 WeakPolarHBondContact OH-CG 3.34Å; Y414-E436 PolarHBondContact OH-OE1 3.14Å; Y414-M440 HydrophobicContact CD1-CE 4.41Å; Y414-M440 HydrophobicContact CD1-CG 4.08Å; Y414-M440 HydrophobicContact CD1-SD 3.91Å; Y414-M440 HydrophobicContact CD2-SD 4.37Å; Y414-M440 HydrophobicContact CE1-CG 4.37Å; Y414-M440 HydrophobicContact CG-CG 4.37Å; Y414-M440 HydrophobicContact CG-SD 3.72Å
415Q92.2Very high91.4Very high114 Ų11456.9 Ų56.953%0.53332%0.315SS..Hα-helixtrans-62.8-42.2176.2-72.1173.9-22.700111.7K411 E412 I413 N418 Q419K411-Q415 WeakPolarHBondContact O-CG 3.33Å; K411-Q415 PolarHBondContact O-N 3.02Å; K411-Q415 VanDerWaalsContact O-N 3.08Å; E412-Q415 PolarHBondContact O-N 2.91Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 3.27Å; Q415-N418 PolarHBondContact O-N 3.44Å; Q415-Q419 WeakPolarHBondContact O-CB 3.39Å; Q415-Q419 PolarHBondContact O-N 3.47Å
416L91.2Very high91.8Very high20 Ų2056.1 Ų56.111%0.10531%0.31CS..Hα-helixtrans-62.2-46.5175.5-73.7163.2000111.9F361 E412 I413 Y414 N418 Q419 F420F361-L416 HydrophobicContact CB-CD1 4.49Å; F361-L416 HydrophobicContact CD1-CD1 3.46Å; F361-L416 VanDerWaalsContact CD1-CD1 3.46Å; F361-L416 HydrophobicContact CD1-CD2 4.34Å; F361-L416 HydrophobicContact CD1-CG 4.48Å; F361-L416 HydrophobicContact CE1-CD1 3.76Å; F361-L416 HydrophobicContact CE1-CD2 4.35Å; F361-L416 HydrophobicContact CE1-CG 4.49Å; F361-L416 HydrophobicContact CG-CD1 4.16Å; F361-L416 HydrophobicContact CG-CD2 4.48Å; F361-L416 HydrophobicContact CZ-CD2 4.49Å; E412-L416 WeakPolarHBondContact O-CG 3.24Å; E412-L416 PolarHBondContact O-N 3.27Å; E412-L416 VanDerWaalsContact O-N 3.11Å; I413-L416 WeakPolarHBondContact O-CB 3.46Å; I413-L416 PolarHBondContact O-N 3.02Å; Y414-L416 VanDerWaalsContact C-N 3.34Å; Y414-L416 PolarHBondContact O-N 2.9Å; L416-N418 VanDerWaalsContact C-N 3.35Å; L416-N418 PolarHBondContact O-N 2.85Å; L416-Q419 WeakPolarHBondContact O-CB 3.36Å; L416-Q419 PolarHBondContact O-N 3.48Å; L416-F420 HydrophobicContact CB-CE2 4.1Å; L416-F420 HydrophobicContact CD2-CE2 4.19Å; L416-F420 WeakPolarHBondContact O-CD2 3.36Å; L416-F420 PolarHBondContact O-N 3.17Å
417I94.3Very high92.1Very high4 Ų451.6 Ų51.62%0.02129%0.286CS..Hα-helixtrans-57.3-48.6177.4-71167.7000110.6I264 L398 I413 Y414 Q419 F420 K421 I427 M440I264-I417 HydrophobicContact CD1-CG2 3.61Å; I264-I417 HydrophobicContact CG1-CG2 4.32Å; L398-I417 HydrophobicContact CD1-CD1 3.56Å; L398-I417 HydrophobicContact CD1-CG1 3.71Å; I413-I417 HydrophobicContact CG2-CD1 3.8Å; I413-I417 HydrophobicContact CG2-CG1 4.41Å; I413-I417 WeakPolarHBondContact O-CG1 3.34Å; I413-I417 PolarHBondContact O-N 3.44Å; Y414-I417 PolarHBondContact O-N 3Å; I417-Q419 VanDerWaalsContact C-N 3.31Å; I417-Q419 PolarHBondContact O-N 3.23Å; I417-F420 PolarHBondContact O-N 3.43Å; I417-K421 WeakPolarHBondContact O-CB 3.41Å; I417-K421 PolarHBondContact O-N 2.7Å; I417-I427 HydrophobicContact CG2-CD1 3.87Å; I417-M440 HydrophobicContact CB-CE 3.78Å; I417-M440 HydrophobicContact CD1-CE 4.49Å; I417-M440 HydrophobicContact CG2-CE 3.46Å; I417-M440 VanDerWaalsContact CG2-CE 3.46Å
418N92.6Very high92.6Very high73 Ų7345.7 Ų45.739%0.3925%0.25SS..Hα-helixtrans-63.6-36.3178.4-77-37.2000112.7Y414 Q415 L416 A422Y414-N418 PolarHBondContact O-N 2.74Å; Y414-N418 PolarHBondContact O-ND2 3.47Å; Q415-N418 PolarHBondContact O-N 3.44Å; L416-N418 VanDerWaalsContact C-N 3.35Å; L416-N418 PolarHBondContact O-N 2.85Å; N418-A422 WeakPolarHBondContact O-CB 3.28Å; N418-A422 PolarHBondContact O-N 3.48Å
419Q91.4Very high93Very high99 Ų9943.9 Ų43.946%0.46323%0.231SC..Hα-helixtrans-63.6-49.1174.7-176.96153.300111.3Q415 L416 I417 K421 A422 D423Q415-Q419 WeakPolarHBondContact O-CB 3.39Å; Q415-Q419 PolarHBondContact O-N 3.47Å; L416-Q419 WeakPolarHBondContact O-CB 3.36Å; L416-Q419 PolarHBondContact O-N 3.48Å; I417-Q419 VanDerWaalsContact C-N 3.31Å; I417-Q419 PolarHBondContact O-N 3.23Å; Q419-K421 VanDerWaalsContact C-N 3.31Å; Q419-K421 PolarHBondContact O-N 3.3Å; Q419-A422 WeakPolarHBondContact O-CB 3.49Å; Q419-A422 PolarHBondContact O-N 2.82Å; Q419-A422 VanDerWaalsContact O-N 3.13Å; Q419-D423 PolarHBondContact NE2-OD1 2.97Å; Q419-D423 VanDerWaalsContact NE2-OD1 3.11Å; Q419-D423 VanDerWaalsContact O-CG 3.32Å; Q419-D423 PolarHBondContact O-N 2.97Å
420F92.2Very high93.5Very high26 Ų2643.6 Ų43.611%0.11423%0.228CC..Hα-helixtrans-66.2-35.1-179.9-66.3-58.1000112.7L360 F361 L389 L416 I417 D423 G424 L425L360-F420 HydrophobicContact CD2-CE1 4.11Å; L360-F420 HydrophobicContact CD2-CZ 3.87Å; F361-F420 HydrophobicContact CE1-CE2 4.26Å; F361-F420 HydrophobicContact CE2-CE2 4.14Å; F361-F420 AromaticContact CE2-CZ 3.77Å; F361-F420 HydrophobicContact CE2-CZ 3.77Å; F361-F420 AromaticContact CZ-CE2 3.51Å; F361-F420 HydrophobicContact CZ-CE2 3.51Å; F361-F420 AromaticContact CZ-CZ 3.61Å; F361-F420 HydrophobicContact CZ-CZ 3.61Å; L389-F420 HydrophobicContact CD1-CD1 4.4Å; L389-F420 HydrophobicContact CD1-CD2 3.66Å; L389-F420 HydrophobicContact CD1-CE1 4.09Å; L389-F420 HydrophobicContact CD1-CE2 3.31Å; L389-F420 HydrophobicContact CD1-CG 4.22Å; L389-F420 HydrophobicContact CD1-CZ 3.56Å; L389-F420 HydrophobicContact CD2-CD1 4.3Å; L389-F420 HydrophobicContact CD2-CD2 4.44Å; L389-F420 HydrophobicContact CD2-CG 4.26Å; L416-F420 HydrophobicContact CB-CE2 4.1Å; L416-F420 HydrophobicContact CD2-CE2 4.19Å; L416-F420 WeakPolarHBondContact O-CD2 3.36Å; L416-F420 PolarHBondContact O-N 3.17Å; I417-F420 PolarHBondContact O-N 3.43Å; F420-D423 PolarHBondContact O-N 2.96Å; F420-G424 PolarHBondContact O-N 2.76Å; F420-L425 HydrophobicContact CB-CB 4.25Å; F420-L425 HydrophobicContact CB-CD2 3.87Å; F420-L425 WeakPolarHBondContact O-CB 3.34Å; F420-L425 PolarHBondContact O-N 3.09Å
421K93.3Very high93.6Very high52 Ų5242.1 Ų42.123%0.22622%0.222CC..Hα-helixtrans-57.6-49.4169.8-178.8-157.1167.6174.90110.9G262 I264 I417 Q419 D423 G424 I427 D442G262-K421 WeakPolarHBondContact O-CE 3.34Å; G262-K421 WeakPolarHBondContact O-CG 3.47Å; I264-K421 HydrophobicContact CD1-CB 4.19Å; I264-K421 HydrophobicContact CD1-CD 3.73Å; I264-K421 HydrophobicContact CD1-CG 4.26Å; I264-K421 HydrophobicContact CG1-CB 4.23Å; I264-K421 HydrophobicContact CG1-CD 3.86Å; I264-K421 HydrophobicContact CG1-CG 4.06Å; I417-K421 WeakPolarHBondContact O-CB 3.41Å; I417-K421 PolarHBondContact O-N 2.7Å; Q419-K421 VanDerWaalsContact C-N 3.31Å; Q419-K421 PolarHBondContact O-N 3.3Å; K421-D423 PolarHBondContact O-N 3.2Å; K421-G424 WeakPolarHBondContact O-CA 3.31Å; K421-G424 PolarHBondContact O-N 2.86Å; K421-I427 HydrophobicContact CB-CD1 4.49Å; K421-D442 WeakPolarHBondContact CE-OD2 3.37Å; K421-D442 IonicContact NZ-OD1 3.64Å; K421-D442 PolarHBondContact NZ-OD1 2.81Å; K421-D442 IonicContact NZ-OD2 3.74Å; K421-D442 PolarHBondContact NZ-OD2 2.79Å
422A88.9Confident93.5Very high79 Ų7939.1 Ų39.165%0.65322%0.219SC*.Hα-helixtrans-61.1-29.9178.400000112.7N418 Q419 G424N418-A422 WeakPolarHBondContact O-CB 3.28Å; N418-A422 PolarHBondContact O-N 3.48Å; Q419-A422 WeakPolarHBondContact O-CB 3.49Å; Q419-A422 PolarHBondContact O-N 2.82Å; Q419-A422 VanDerWaalsContact O-N 3.13Å; A422-G424 PolarHBondContact O-N 2.62Å
423D87.9Confident93.6Very high114 Ų11440.1 Ų40.161%0.6122%0.223SC*.THydrogen-bonded Turntrans-78.22.7173.3-60.3-20.5000113.3Q419 F420 K421Q419-D423 PolarHBondContact NE2-OD1 2.97Å; Q419-D423 VanDerWaalsContact NE2-OD1 3.11Å; Q419-D423 VanDerWaalsContact O-CG 3.32Å; Q419-D423 PolarHBondContact O-N 2.97Å; F420-D423 PolarHBondContact O-N 2.96Å; K421-D423 PolarHBondContact O-N 3.2Å
424G91.3Very high93.5Very high36 Ų3641.2 Ų41.237%0.37123%0.228SC..THydrogen-bonded Turntrans95.29.1173.600000115.7F420 K421 A422F420-G424 PolarHBondContact O-N 2.76Å; K421-G424 WeakPolarHBondContact O-CA 3.31Å; K421-G424 PolarHBondContact O-N 2.86Å; A422-G424 PolarHBondContact O-N 2.62Å
425L95.4Very high93.4Very high19 Ų1943.4 Ų43.410%0.09925%0.249CC..  trans-73.7131.1174.9-176.563.1000110.8L389 P393 L396 F420 I427L389-L425 HydrophobicContact CD2-CD2 3.46Å; L389-L425 VanDerWaalsContact CD2-CD2 3.46Å; P393-L425 HydrophobicContact CB-CD1 4.48Å; P393-L425 HydrophobicContact CG-CD1 4.11Å; P393-L425 WeakPolarHBondContact O-CD1 3.5Å; L396-L425 HydrophobicContact CB-CD1 4.43Å; L396-L425 HydrophobicContact CB-CD2 3.9Å; L396-L425 HydrophobicContact CB-CG 4.35Å; L396-L425 HydrophobicContact CD2-CD2 3.95Å; F420-L425 HydrophobicContact CB-CB 4.25Å; F420-L425 HydrophobicContact CB-CD2 3.87Å; F420-L425 WeakPolarHBondContact O-CB 3.34Å; F420-L425 PolarHBondContact O-N 3.09Å; L425-I427 HydrophobicContact CD2-CD1 4.29Å; L425-I427 HydrophobicContact CD2-CG1 4.13Å; L425-I427 HydrophobicContact CG-CG1 4.02Å
426S97.7Very high93.5Very high0 Ų038.1 Ų38.10%022%0.224CC..EExtended strand (participates in β ladder)trans-87132.4170.8-600000110.4R241 R260 K261 G262 V395 L396R241-S426 WeakPolarHBondContact CB-OG 3.42Å; R241-S426 WeakPolarHBondContact CG-OG 3.49Å; R260-S426 WeakPolarHBondContact O-CB 3.22Å; R260-S426 PolarHBondContact O-OG 2.87Å; K261-S426 VanDerWaalsContact CA-OG 3.29Å; K261-S426 WeakPolarHBondContact CA-OG 3.45Å; G262-S426 PolarHBondContact N-OG 2.82Å; G262-S426 VanDerWaalsContact N-OG 3.12Å; V395-S426 WeakPolarHBondContact CA-O 3.5Å; L396-S426 PolarHBondContact N-O 3.39Å
427I98.4Very high93.7Very high0 Ų037.1 Ų37.10%022%0.219CC..EExtended strand (participates in β ladder)trans-127.3134.8-171.1-58.2177.1000109.6E263 I264 L265 L396 L398 I417 K421 L425E263-I427 PolarHBondContact O-N 2.75Å; I264-I427 CarbonylContact C-O 3.51Å; I264-I427 WeakPolarHBondContact CA-O 3.39Å; I264-I427 HydrophobicContact CG1-CB 4.11Å; I264-I427 HydrophobicContact CG1-CD1 4.38Å; L265-I427 PolarHBondContact N-O 2.86Å; L396-I427 HydrophobicContact CB-CG1 4.46Å; L396-I427 CarbonylContact O-C 3.59Å; L396-I427 VanDerWaalsContact O-CA 3.26Å; L396-I427 WeakPolarHBondContact O-CA 3.34Å; L398-I427 HydrophobicContact CD1-CG2 4.01Å; L398-I427 HydrophobicContact CG-CG2 4.33Å; I417-I427 HydrophobicContact CG2-CD1 3.87Å; K421-I427 HydrophobicContact CB-CD1 4.49Å; L425-I427 HydrophobicContact CD2-CD1 4.29Å; L425-I427 HydrophobicContact CD2-CG1 4.13Å; L425-I427 HydrophobicContact CG-CG1 4.02Å
428I98.6Very high93.7Very high0 Ų039.1 Ų39.10%023%0.23CC..EExtended strand (participates in β ladder)trans-106.1118.1165.5-55.3-178.3000107.2L242 F257 L259 L265 V267 M279 L282 V395 L396 I397 L398L242-I428 HydrophobicContact CD2-CD1 4.22Å; F257-I428 HydrophobicContact CE2-CD1 4.17Å; F257-I428 HydrophobicContact CZ-CD1 4.32Å; L259-I428 HydrophobicContact CD1-CG1 4.4Å; L259-I428 HydrophobicContact CD2-CD1 4.17Å; L259-I428 HydrophobicContact CD2-CG1 3.77Å; L265-I428 CarbonylContact O-C 3.57Å; L265-I428 WeakPolarHBondContact O-CA 3.31Å; V267-I428 HydrophobicContact CG2-CG2 3.46Å; V267-I428 VanDerWaalsContact CG2-CG2 3.46Å; M279-I428 HydrophobicContact CE-CG2 3.99Å; M279-I428 HydrophobicContact SD-CB 4.43Å; M279-I428 HydrophobicContact SD-CD1 4.34Å; M279-I428 HydrophobicContact SD-CG2 3.69Å; L282-I428 HydrophobicContact CD1-CD1 4.42Å; V395-I428 HydrophobicContact CG1-CD1 4.32Å; V395-I428 HydrophobicContact CG1-CG1 4.34Å; L396-I428 PolarHBondContact O-N 2.9Å; I397-I428 WeakPolarHBondContact CA-O 3.41Å; I397-I428 HydrophobicContact CG1-CB 4.26Å; I397-I428 HydrophobicContact CG1-CD1 4.24Å; I397-I428 HydrophobicContact CG1-CG1 4.49Å; I397-I428 HydrophobicContact CG2-CB 4.35Å; L398-I428 PolarHBondContact N-O 3.23Å
429L98.2Very high93.8Very high1 Ų137.5 Ų37.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-106.8104.5-179179.266.7000109.5I264 L265 G266 V267 L398 P401 E436 M440I264-L429 HydrophobicContact CG2-CB 3.94Å; I264-L429 HydrophobicContact CG2-CD2 4.36Å; L265-L429 PolarHBondContact O-N 3.4Å; G266-L429 CarbonylContact C-O 3.59Å; G266-L429 WeakPolarHBondContact CA-O 3.48Å; V267-L429 PolarHBondContact N-O 3.18Å; L398-L429 HydrophobicContact CB-CD1 4.15Å; P401-L429 HydrophobicContact CG-CD1 3.43Å; P401-L429 VanDerWaalsContact CG-CD1 3.43Å; L429-E436 HydrophobicContact CD2-CG 4.33Å; L429-M440 HydrophobicContact CD2-CB 3.51Å; L429-M440 HydrophobicContact CD2-CG 4.15Å
430V97.8Very high94Very high0 Ų033.3 Ų33.30%021%0.211CC..EExtended strand (participates in β ladder)trans-90.9125.9171.9-168.80000108.4V267 R275 M279 L398 E400V267-V430 HydrophobicContact CB-CB 4.45Å; V267-V430 HydrophobicContact CB-CG1 4.42Å; V267-V430 HydrophobicContact CB-CG2 4.08Å; V267-V430 HydrophobicContact CG2-CG2 4.41Å; R275-V430 HydrophobicContact CB-CG1 3.69Å; R275-V430 HydrophobicContact CG-CG1 4.44Å; M279-V430 HydrophobicContact CE-CG2 4.14Å; M279-V430 HydrophobicContact CG-CG2 3.51Å; M279-V430 HydrophobicContact SD-CG2 4.07Å; L398-V430 PolarHBondContact O-N 3Å; E400-V430 WeakPolarHBondContact CA-O 3.46Å; E400-V430 PolarHBondContact N-O 3.29Å
431S94.9Very high94.2Very high0 Ų032.1 Ų32.10%021%0.205CC..  trans-152.3145.9176175.40000112V267 R275 E433 E436V267-S431 PolarHBondContact O-N 2.94Å; R275-S431 PolarHBondContact NH1-O 3.16Å; S431-E433 PolarHBondContact OG-N 3.18Å; S431-E436 WeakPolarHBondContact CB-OE2 3.3Å; S431-E436 PolarHBondContact OG-OE2 2.95Å
432S90.2Very high94.2Very high76 Ų7631.9 Ų31.953%0.53121%0.207SC..SBendtrans-89.9-11.7171.254.40000112.6E400 M434E400-S432 VanDerWaalsContact CD-N 3.31Å; E400-S432 VanDerWaalsContact CD-OG 3.31Å; E400-S432 WeakPolarHBondContact OE1-CB 3.07Å; E400-S432 PolarHBondContact OE1-N 3.02Å; E400-S432 PolarHBondContact OE1-OG 2.5Å; E400-S432 VanDerWaalsContact OE1-OG 3.08Å; E400-S432 PolarHBondContact OE2-N 2.97Å; E400-S432 PolarHBondContact OE2-OG 3.49Å; S432-M434 PolarHBondContact O-N 2.95Å
433E91.4Very high94.5Very high79 Ų7928.6 Ų28.637%0.36918%0.177SC..  trans-89.2106.1178.2-67.7-170.2-162.600110.5K410 S431 P435 E436 V437K410-E433 IonicContact NZ-OE1 3.86Å; K410-E433 PolarHBondContact NZ-OE1 3.19Å; K410-E433 IonicContact NZ-OE2 3.67Å; K410-E433 PolarHBondContact NZ-OE2 3.08Å; S431-E433 PolarHBondContact OG-N 3.18Å; E433-P435 VanDerWaalsContact C-CD 3.45Å; E433-P435 VanDerWaalsContact C-N 3.34Å; E433-E436 HydrophobicContact CB-CB 4.05Å; E433-E436 WeakPolarHBondContact O-CB 3.38Å; E433-E436 PolarHBondContact O-N 3.13Å; E433-V437 PolarHBondContact O-N 2.74Å; E433-V437 VanDerWaalsContact O-N 3.16Å
434M91.5Very high94.9Very high22 Ų2223.2 Ų23.211%0.10815%0.149CC..Hα-helixtrans-53.3-42.1-179.2-158.566.172.300114.2S432 E436 V437 L438 Q463 L466 M467S432-M434 PolarHBondContact O-N 2.95Å; M434-E436 VanDerWaalsContact C-N 3.25Å; M434-E436 PolarHBondContact O-N 3.38Å; M434-V437 PolarHBondContact O-N 3.34Å; M434-L438 HydrophobicContact CG-CD1 3.74Å; M434-L438 HydrophobicContact CG-CG 4.14Å; M434-L438 WeakPolarHBondContact O-CB 3.43Å; M434-L438 WeakPolarHBondContact O-CG 3.41Å; M434-L438 PolarHBondContact O-N 3.27Å; M434-Q463 HydrophobicContact CG-CB 4.01Å; M434-Q463 HydrophobicContact CG-CG 3.93Å; M434-L466 HydrophobicContact CE-CB 3.83Å; M434-L466 HydrophobicContact SD-CB 3.78Å; M434-L466 HydrophobicContact SD-CD1 3.39Å; M434-L466 WeakPolarHBondContact SD-CD1 3.46Å; M434-L466 HydrophobicContact SD-CG 4.24Å; M434-M467 HydrophobicContact CE-CE 4.37Å
435P92.4Very high95.2Very high97 Ų9721.5 Ų21.563%0.6313%0.131SC*.Hα-helixtrans-61.5-31.3176.2-24.536000113.8E433 G439E433-P435 VanDerWaalsContact C-CD 3.45Å; E433-P435 VanDerWaalsContact C-N 3.34Å; P435-G439 PolarHBondContact O-N 3.12Å
436E94.4Very high95.3Very high3 Ų320.6 Ų20.61%0.01413%0.126CC..Hα-helixtrans-71.5-48.9177.2-178.4175.6-133.200110.4T402 Y414 L429 S431 E433 M434 G439 M440T402-E436 WeakPolarHBondContact CB-OE1 3.45Å; T402-E436 WeakPolarHBondContact CG2-OE1 3.2Å; T402-E436 VanDerWaalsContact OG1-CD 3.23Å; T402-E436 PolarHBondContact OG1-OE1 2.83Å; T402-E436 PolarHBondContact OG1-OE2 2.98Å; Y414-E436 HydrophobicContact CE1-CG 3.79Å; Y414-E436 VanDerWaalsContact CE1-OE1 3.23Å; Y414-E436 WeakPolarHBondContact CE1-OE1 3.37Å; Y414-E436 WeakPolarHBondContact OH-CG 3.34Å; Y414-E436 PolarHBondContact OH-OE1 3.14Å; L429-E436 HydrophobicContact CD2-CG 4.33Å; S431-E436 WeakPolarHBondContact CB-OE2 3.3Å; S431-E436 PolarHBondContact OG-OE2 2.95Å; E433-E436 HydrophobicContact CB-CB 4.05Å; E433-E436 WeakPolarHBondContact O-CB 3.38Å; E433-E436 PolarHBondContact O-N 3.13Å; M434-E436 VanDerWaalsContact C-N 3.25Å; M434-E436 PolarHBondContact O-N 3.38Å; E436-G439 PolarHBondContact O-N 3.22Å; E436-M440 VanDerWaalsContact O-CB 3.29Å; E436-M440 WeakPolarHBondContact O-CB 3.24Å; E436-M440 WeakPolarHBondContact O-CG 3.36Å; E436-M440 PolarHBondContact O-N 2.93Å
437V95.3Very high95.2Very high0 Ų020.6 Ų20.60%013%0.126CC..Hα-helixtrans-61.1-49.7178.9-175.90000110.8E433 M434 G439 S441 I444E433-V437 PolarHBondContact O-N 2.74Å; E433-V437 VanDerWaalsContact O-N 3.16Å; M434-V437 PolarHBondContact O-N 3.34Å; V437-G439 PolarHBondContact O-N 3.13Å; V437-S441 WeakPolarHBondContact O-CB 3.18Å; V437-S441 PolarHBondContact O-N 3.04Å; V437-S441 VanDerWaalsContact O-N 3.07Å; V437-S441 PolarHBondContact O-OG 3.08Å; V437-I444 HydrophobicContact CG1-CB 4.38Å; V437-I444 HydrophobicContact CG1-CD1 3.69Å; V437-I444 HydrophobicContact CG1-CG1 3.73Å; V437-I444 HydrophobicContact CG1-CG2 3.73Å
438L94.7Very high95.1Very high46 Ų4622.8 Ų22.824%0.24114%0.137CC..Hα-helixtrans-65.1-37.2179.3-71.8173.8000112.8M434 I444 A461 Q463 L466M434-L438 HydrophobicContact CG-CD1 3.74Å; M434-L438 HydrophobicContact CG-CG 4.14Å; M434-L438 WeakPolarHBondContact O-CB 3.43Å; M434-L438 WeakPolarHBondContact O-CG 3.41Å; M434-L438 PolarHBondContact O-N 3.27Å; L438-I444 HydrophobicContact CD2-CD1 3.94Å; L438-A461 HydrophobicContact CD2-CB 3.64Å; L438-A461 VanDerWaalsContact CD2-O 3.24Å; L438-A461 WeakPolarHBondContact CD2-O 3.43Å; L438-Q463 HydrophobicContact CD1-CB 4.41Å; L438-L466 HydrophobicContact CD2-CD1 3.6Å; L438-L466 HydrophobicContact CG-CD1 4.13Å
439G94Very high94.9Very high39 Ų3929.7 Ų29.740%0.40217%0.169SC..Hα-helixtrans-72.5-39-177.200000113.2P435 E436 V437 R458P435-G439 PolarHBondContact O-N 3.12Å; E436-G439 PolarHBondContact O-N 3.22Å; V437-G439 PolarHBondContact O-N 3.13Å; G439-R458 PolarHBondContact O-NH1 3.1Å; G439-R458 PolarHBondContact O-NH2 3.35Å
440M95.3Very high94.8Very high11 Ų1129.7 Ų29.75%0.05417%0.169CC..Hα-helixtrans-98.9-27.6-168.4-67.3-60.2-59.400114.6I264 Y414 I417 L429 E436I264-M440 HydrophobicContact CD1-CE 4.26Å; I264-M440 WeakPolarHBondContact CD1-O 3.2Å; Y414-M440 HydrophobicContact CD1-CE 4.41Å; Y414-M440 HydrophobicContact CD1-CG 4.08Å; Y414-M440 HydrophobicContact CD1-SD 3.91Å; Y414-M440 HydrophobicContact CD2-SD 4.37Å; Y414-M440 HydrophobicContact CE1-CG 4.37Å; Y414-M440 HydrophobicContact CG-CG 4.37Å; Y414-M440 HydrophobicContact CG-SD 3.72Å; I417-M440 HydrophobicContact CB-CE 3.78Å; I417-M440 HydrophobicContact CD1-CE 4.49Å; I417-M440 HydrophobicContact CG2-CE 3.46Å; I417-M440 VanDerWaalsContact CG2-CE 3.46Å; L429-M440 HydrophobicContact CD2-CB 3.51Å; L429-M440 HydrophobicContact CD2-CG 4.15Å; E436-M440 VanDerWaalsContact O-CB 3.29Å; E436-M440 WeakPolarHBondContact O-CB 3.24Å; E436-M440 WeakPolarHBondContact O-CG 3.36Å; E436-M440 PolarHBondContact O-N 2.93Å
441S96.8Very high94.7Very high0 Ų034.1 Ų34.10%019%0.19CC..  trans-84.5149-170.2-44.70000112.4G266 V437 R443 R458G266-S441 WeakPolarHBondContact CA-OG 3.23Å; G266-S441 PolarHBondContact N-OG 2.77Å; V437-S441 WeakPolarHBondContact O-CB 3.18Å; V437-S441 PolarHBondContact O-N 3.04Å; V437-S441 VanDerWaalsContact O-N 3.07Å; V437-S441 PolarHBondContact O-OG 3.08Å; S441-R443 WeakPolarHBondContact CB-O 3.39Å; S441-R458 PolarHBondContact O-NH1 3.18Å
442D93.9Very high94.7Very high48 Ų4836.6 Ų36.626%0.25720%0.203SC..SBendtrans-85.9-35.8168.2-63-57.3000111E263 I264 K421 R458E263-D442 HydrophobicContact CG-CB 3.82Å; I264-D442 PolarHBondContact N-OD2 3.43Å; I264-D442 PolarHBondContact O-N 3.47Å; K421-D442 WeakPolarHBondContact CE-OD2 3.37Å; K421-D442 IonicContact NZ-OD1 3.64Å; K421-D442 PolarHBondContact NZ-OD1 2.81Å; K421-D442 IonicContact NZ-OD2 3.74Å; K421-D442 PolarHBondContact NZ-OD2 2.79Å; D442-R458 PolarHBondContact O-N 3.26Å; D442-R458 VanDerWaalsContact O-N 3.17Å
443R94.7Very high94.9Very high9 Ų934.6 Ų34.63%0.03419%0.189CC..EExtended strand (participates in β ladder)trans-145.5151.3177.4-163.3172.657.2111.1-127.2108.6T258 E263 L265 G266 S441 E455 F456T258-R443 PolarHBondContact O-NH1 2.84Å; E263-R443 WeakPolarHBondContact OE1-CB 3.38Å; E263-R443 IonicContact OE1-NE 3.56Å; E263-R443 PolarHBondContact OE1-NE 2.78Å; E263-R443 VanDerWaalsContact OE1-NE 3.15Å; L265-R443 HydrophobicContact CD1-CB 4.26Å; G266-R443 PolarHBondContact N-O 3.34Å; S441-R443 WeakPolarHBondContact CB-O 3.39Å; R443-E455 VanDerWaalsContact CD-OE1 3.31Å; R443-E455 WeakPolarHBondContact CD-OE1 3.36Å; R443-E455 HydrophobicContact CG-CG 4.08Å; R443-E455 IonicContact CZ-OE1 2.78Å; R443-E455 IonicContact CZ-OE2 3.71Å; R443-E455 IonicContact NE-OE1 2.69Å; R443-E455 IonicContact NH1-OE2 3.13Å; R443-E455 IonicContact NH2-OE1 3.32Å; R443-E455 PolarHBondContact NH2-OE1 3.01Å; R443-E455 IonicContact NH2-OE2 3.82Å; R443-E455 PolarHBondContact NH2-OE2 3.08Å; R443-F456 CarbonylContact C-O 3.54Å; R443-F456 WeakPolarHBondContact CA-O 3.39Å; R443-F456 VanDerWaalsContact CG-O 3.23Å; R443-F456 WeakPolarHBondContact CG-O 3.49Å
444I97.2Very high94.9Very high1 Ų131.4 Ų31.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-130.2125.9-173.5-60.1165.6000108.7G266 V437 L438 V446 E455 F456 A461 L466G266-I444 CarbonylContact O-C 3.55Å; G266-I444 WeakPolarHBondContact O-CA 3.3Å; V437-I444 HydrophobicContact CG1-CB 4.38Å; V437-I444 HydrophobicContact CG1-CD1 3.69Å; V437-I444 HydrophobicContact CG1-CG1 3.73Å; V437-I444 HydrophobicContact CG1-CG2 3.73Å; L438-I444 HydrophobicContact CD2-CD1 3.94Å; I444-V446 HydrophobicContact CG2-CG2 4.41Å; I444-E455 CarbonylContact O-C 3.57Å; I444-E455 WeakPolarHBondContact O-CA 3.18Å; I444-F456 PolarHBondContact N-O 2.93Å; I444-F456 PolarHBondContact O-N 3.09Å; I444-A461 HydrophobicContact CD1-CB 3.71Å; I444-L466 HydrophobicContact CB-CD2 4.29Å; I444-L466 HydrophobicContact CD1-CD1 3.91Å; I444-L466 HydrophobicContact CG2-CD1 4.21Å; I444-L466 HydrophobicContact CG2-CD2 3.75Å
445I96.9Very high94.9Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-100.5145.1165.357.6167.8000109.7F257 L265 G266 V267 S268 L452 G454 E455F257-I445 HydrophobicContact CB-CD1 4.38Å; F257-I445 HydrophobicContact CD1-CD1 4.16Å; F257-I445 HydrophobicContact CD2-CD1 4.3Å; F257-I445 HydrophobicContact CG-CD1 4.03Å; L265-I445 HydrophobicContact CD1-CG1 4.34Å; L265-I445 HydrophobicContact CD1-CG2 4.15Å; L265-I445 HydrophobicContact CD2-CD1 4.26Å; L265-I445 HydrophobicContact CD2-CG1 4.49Å; L265-I445 HydrophobicContact CG-CG1 4.4Å; G266-I445 WeakPolarHBondContact O-CG1 3.34Å; G266-I445 PolarHBondContact O-N 3.46Å; V267-I445 WeakPolarHBondContact CA-O 3.25Å; V267-I445 HydrophobicContact CB-CG1 4.33Å; V267-I445 HydrophobicContact CG1-CD1 4.4Å; V267-I445 HydrophobicContact CG1-CG1 4.28Å; V267-I445 HydrophobicContact CG2-CD1 3.94Å; V267-I445 HydrophobicContact CG2-CG1 3.84Å; S268-I445 PolarHBondContact N-O 2.81Å; I445-L452 HydrophobicContact CB-CD1 3.87Å; I445-L452 HydrophobicContact CB-CG 4.43Å; I445-L452 HydrophobicContact CD1-CD1 4.02Å; I445-L452 HydrophobicContact CG2-CD1 3.87Å; I445-G454 WeakPolarHBondContact CA-O 3.42Å; I445-E455 HydrophobicContact CG2-CB 4.07Å; I445-E455 HydrophobicContact CG2-CG 3.82Å
446V97Very high94.9Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-116.1126.9179.3-172.90000109.4S268 I444 S453 G454 F456 L466 A469 A470S268-V446 WeakPolarHBondContact O-CA 3.46Å; I444-V446 HydrophobicContact CG2-CG2 4.41Å; V446-S453 PolarHBondContact O-N 3.21Å; V446-S453 PolarHBondContact O-OG 2.93Å; V446-G454 PolarHBondContact N-O 2.9Å; V446-F456 HydrophobicContact CG2-CD2 4.06Å; V446-F456 HydrophobicContact CG2-CE2 3.75Å; V446-L466 HydrophobicContact CG2-CD2 3.57Å; V446-A469 HydrophobicContact CB-CB 3.9Å; V446-A469 HydrophobicContact CG1-CB 3.83Å; V446-A469 HydrophobicContact CG2-CB 4.02Å; V446-A470 HydrophobicContact CG1-CB 3.8Å
447M96.3Very high94.6Very high0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-93.8140.2174.2-68.7-70.8-67.300110.4V255 V267 S268 G269 A273 R275 L278 H451V255-M447 HydrophobicContact CG2-CE 4.07Å; V255-M447 HydrophobicContact CG2-SD 4.21Å; V267-M447 HydrophobicContact CG1-CG 4.06Å; S268-M447 PolarHBondContact O-N 2.93Å; G269-M447 WeakPolarHBondContact CA-O 3.14Å; A273-M447 HydrophobicContact CB-CB 3.99Å; A273-M447 WeakPolarHBondContact CB-O 3.32Å; R275-M447 HydrophobicContact CG-CB 3.89Å; R275-M447 HydrophobicContact CG-CG 4.04Å; L278-M447 HydrophobicContact CD2-CE 4.3Å; L278-M447 HydrophobicContact CD2-SD 3.9Å; M447-H451 CarbonylContact C-O 3.53Å; M447-H451 WeakPolarHBondContact CA-O 3.43Å
448H95.3Very high94.2Very high47 Ų4738 Ų3822%0.21820%0.197CC..EExtended strand (participates in β ladder)trans-145.2120.9172.4178.270.3000109.5G450 H451 A470H448-G450 PolarHBondContact O-N 3.49Å; H448-G450 VanDerWaalsContact O-N 3.13Å; H448-H451 PolarHBondContact N-O 3.02Å; H448-H451 PolarHBondContact O-N 3.44Å; H448-A470 PolarHBondContact ND1-O 2.99Å
449E94.6Very high93.7Very high144 Ų14442.5 Ų42.567%0.67322%0.217SC*.THydrogen-bonded Turntrans49.640.1177-61-170.8167.800114.4H451E449-H451 VanDerWaalsContact C-N 3.27Å; E449-H451 PolarHBondContact O-CD2 3.13Å; E449-H451 PolarHBondContact O-N 3.21Å
450G95.9Very high93.3Very high2 Ų245.2 Ų45.22%0.02122%0.219CC..THydrogen-bonded Turntrans82.5-4.4179.400000115G251 N253 V255 A273 H448G251-G450 WeakPolarHBondContact O-CA 3.02Å; N253-G450 PolarHBondContact N-O 3.34Å; V255-G450 VanDerWaalsContact CG2-O 3.31Å; V255-G450 WeakPolarHBondContact CG2-O 3.09Å; A273-G450 WeakPolarHBondContact O-CA 3.2Å; A273-G450 PolarHBondContact O-N 3.39Å; H448-G450 PolarHBondContact O-N 3.49Å; H448-G450 VanDerWaalsContact O-N 3.13Å
451H96.5Very high93.1Very high92 Ų9245.2 Ų45.243%0.42622%0.221SC..EExtended strand (participates in β ladder)trans-105.5158.7176.1-64.1-83.6000111.5N253 M447 H448 E449N253-H451 WeakPolarHBondContact CB-CE1 3.41Å; N253-H451 WeakPolarHBondContact CB-NE2 3.5Å; N253-H451 PolarHBondContact O-CE1 3.05Å; N253-H451 PolarHBondContact O-ND1 2.78Å; M447-H451 CarbonylContact C-O 3.53Å; M447-H451 WeakPolarHBondContact CA-O 3.43Å; H448-H451 PolarHBondContact N-O 3.02Å; H448-H451 PolarHBondContact O-N 3.44Å; E449-H451 VanDerWaalsContact C-N 3.27Å; E449-H451 PolarHBondContact O-CD2 3.13Å; E449-H451 PolarHBondContact O-N 3.21Å
452L94.6Very high92.9Very high52 Ų5248 Ų4827%0.27224%0.238SC..EExtended strand (participates in β ladder)trans-81.6115.5168-166.4141.1000108.7V255 F257 I445V255-L452 HydrophobicContact CG1-CD1 4.46Å; F257-L452 HydrophobicContact CB-CD1 4.16Å; I445-L452 HydrophobicContact CB-CD1 3.87Å; I445-L452 HydrophobicContact CB-CG 4.43Å; I445-L452 HydrophobicContact CD1-CD1 4.02Å; I445-L452 HydrophobicContact CG2-CD1 3.87Å
453S93.5Very high92.8Very high34 Ų3450.7 Ų50.724%0.23825%0.249CC..EExtended strand (participates in β ladder)trans-92.7-19.6-17861.40000113.8V446 A469 L474V446-S453 PolarHBondContact O-N 3.21Å; V446-S453 PolarHBondContact O-OG 2.93Å; S453-A469 VanDerWaalsContact CB-O 3.3Å; S453-A469 WeakPolarHBondContact CB-O 3.45Å; S453-A469 PolarHBondContact OG-O 2.92Å; S453-L474 WeakPolarHBondContact O-CD1 3.29Å
454G91.4Very high92.6Very high13 Ų1356.3 Ų56.313%0.13428%0.276CS..EExtended strand (participates in β ladder)trans-175159.4175.500000113.3I445 V446I445-G454 WeakPolarHBondContact CA-O 3.42Å; V446-G454 PolarHBondContact N-O 2.9Å
455E93Very high92.4Very high84 Ų8457.6 Ų57.639%0.39328%0.283SS..EExtended strand (participates in β ladder)trans-129.5133.9173.3-176.3-178.5122.200108.6R443 I444 I445R443-E455 VanDerWaalsContact CD-OE1 3.31Å; R443-E455 WeakPolarHBondContact CD-OE1 3.36Å; R443-E455 HydrophobicContact CG-CG 4.08Å; R443-E455 IonicContact CZ-OE1 2.78Å; R443-E455 IonicContact CZ-OE2 3.71Å; R443-E455 IonicContact NE-OE1 2.69Å; R443-E455 IonicContact NH1-OE2 3.13Å; R443-E455 IonicContact NH2-OE1 3.32Å; R443-E455 PolarHBondContact NH2-OE1 3.01Å; R443-E455 IonicContact NH2-OE2 3.82Å; R443-E455 PolarHBondContact NH2-OE2 3.08Å; I444-E455 CarbonylContact O-C 3.57Å; I444-E455 WeakPolarHBondContact O-CA 3.18Å; I445-E455 HydrophobicContact CG2-CB 4.07Å; I445-E455 HydrophobicContact CG2-CG 3.82Å
456F92.1Very high92.2Very high18 Ų1857.6 Ų57.68%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-137.2135.6-172.1-54.5-83.3000110.6R443 I444 V446 Q460 A461 V465 L466 A469 L474R443-F456 CarbonylContact C-O 3.54Å; R443-F456 WeakPolarHBondContact CA-O 3.39Å; R443-F456 VanDerWaalsContact CG-O 3.23Å; R443-F456 WeakPolarHBondContact CG-O 3.49Å; I444-F456 PolarHBondContact N-O 2.93Å; I444-F456 PolarHBondContact O-N 3.09Å; V446-F456 HydrophobicContact CG2-CD2 4.06Å; V446-F456 HydrophobicContact CG2-CE2 3.75Å; F456-Q460 HydrophobicContact CB-CB 4.29Å; F456-Q460 HydrophobicContact CD1-CB 4.44Å; F456-A461 HydrophobicContact CB-CB 4.12Å; F456-V465 HydrophobicContact CD1-CG1 3.7Å; F456-V465 HydrophobicContact CE1-CG1 3.23Å; F456-V465 HydrophobicContact CE2-CG1 4.46Å; F456-V465 HydrophobicContact CG-CG1 4.47Å; F456-V465 HydrophobicContact CZ-CG1 3.65Å; F456-L466 HydrophobicContact CB-CD2 4.44Å; F456-L466 HydrophobicContact CD2-CD2 3.45Å; F456-L466 VanDerWaalsContact CD2-CD2 3.45Å; F456-L466 HydrophobicContact CE2-CD2 3.9Å; F456-L466 HydrophobicContact CG-CD2 4.08Å; F456-A469 HydrophobicContact CE2-CB 3.91Å; F456-A469 HydrophobicContact CZ-CB 3.96Å; F456-L474 HydrophobicContact CE1-CD2 4.16Å; F456-L474 HydrophobicContact CZ-CD1 4.04Å; F456-L474 HydrophobicContact CZ-CD2 3.95Å; F456-L474 HydrophobicContact CZ-CG 4.36Å
457T88.1Confident92Very high42 Ų4261.5 Ų61.526%0.25830%0.303SS..EExtended strand (participates in β ladder)trans-70.1165.4165.176.10000110.5E459 Q460 A461T457-E459 VanDerWaalsContact CB-OE2 3.25Å; T457-E459 WeakPolarHBondContact CB-OE2 3.36Å; T457-E459 PolarHBondContact O-N 3.17Å; T457-E459 PolarHBondContact OG1-N 3.24Å; T457-E459 PolarHBondContact OG1-OE2 2.84Å; T457-Q460 PolarHBondContact O-N 2.89Å; T457-Q460 VanDerWaalsContact O-N 3.14Å; T457-Q460 PolarHBondContact OG1-N 3.3Å; T457-A461 WeakPolarHBondContact O-CB 3.42Å; T457-A461 PolarHBondContact O-N 3.44Å
458R87Confident91.8Very high117 Ų11762.1 Ų62.144%0.44231%0.308SS..THydrogen-bonded Turntrans-53.8-35.5175.6-171.9178.6-175.6115.75113.1G439 S441 D442G439-R458 PolarHBondContact O-NH1 3.1Å; G439-R458 PolarHBondContact O-NH2 3.35Å; S441-R458 PolarHBondContact O-NH1 3.18Å; D442-R458 PolarHBondContact O-N 3.26Å; D442-R458 VanDerWaalsContact O-N 3.17Å
459E83Confident91.7Very high139 Ų13959.9 Ų59.965%0.6530%0.298SS*.THydrogen-bonded Turntrans-75.1-32.7-178.6-57.271.7-150.300112.4T457T457-E459 VanDerWaalsContact CB-OE2 3.25Å; T457-E459 WeakPolarHBondContact CB-OE2 3.36Å; T457-E459 PolarHBondContact O-N 3.17Å; T457-E459 PolarHBondContact OG1-N 3.24Å; T457-E459 PolarHBondContact OG1-OE2 2.84Å
460Q86.1Confident91.6Very high96 Ų9653.1 Ų53.145%0.44927%0.266SS..THydrogen-bonded Turntrans-81.4-26.1178.9-66.5169.8-24.200112.4F456 T457 T462F456-Q460 HydrophobicContact CB-CB 4.29Å; F456-Q460 HydrophobicContact CD1-CB 4.44Å; T457-Q460 PolarHBondContact O-N 2.89Å; T457-Q460 VanDerWaalsContact O-N 3.14Å; T457-Q460 PolarHBondContact OG1-N 3.3Å; Q460-T462 PolarHBondContact O-N 2.93Å
461A90.4Very high91.4Very high12 Ų1255.9 Ų55.910%0.09928%0.283CS..  trans-77.1107.1-172.700000111.8L438 I444 F456 T457 L466L438-A461 HydrophobicContact CD2-CB 3.64Å; L438-A461 VanDerWaalsContact CD2-O 3.24Å; L438-A461 WeakPolarHBondContact CD2-O 3.43Å; I444-A461 HydrophobicContact CD1-CB 3.71Å; F456-A461 HydrophobicContact CB-CB 4.12Å; T457-A461 WeakPolarHBondContact O-CB 3.42Å; T457-A461 PolarHBondContact O-N 3.44Å; A461-L466 HydrophobicContact CB-CD1 4.2Å; A461-L466 HydrophobicContact CB-CD2 4.33Å; A461-L466 HydrophobicContact CB-CG 4.36Å
462T92.5Very high90.9Very high58 Ų5853.7 Ų53.736%0.35629%0.285SS..  trans-110.216216374.10000110.7Q460 E464 V465 L466Q460-T462 PolarHBondContact O-N 2.93Å; T462-E464 WeakPolarHBondContact CB-OE2 3.23Å; T462-E464 PolarHBondContact O-N 2.79Å; T462-E464 PolarHBondContact OG1-OE2 3.49Å; T462-V465 PolarHBondContact O-N 3.39Å; T462-V465 WeakPolarHBondContact OG1-CG2 3.48Å; T462-V465 PolarHBondContact OG1-N 2.84Å; T462-L466 WeakPolarHBondContact O-CB 3.32Å; T462-L466 VanDerWaalsContact O-CG 3.29Å; T462-L466 WeakPolarHBondContact O-CG 3.43Å; T462-L466 PolarHBondContact O-N 3.04Å
463Q92.2Very high90.3Very high104 Ų10456.2 Ų56.249%0.48629%0.294SS..Hα-helixtrans-59-38176.8174.2167.4-3600111.4M434 L438 M467M434-Q463 HydrophobicContact CG-CB 4.01Å; M434-Q463 HydrophobicContact CG-CG 3.93Å; L438-Q463 HydrophobicContact CD1-CB 4.41Å; Q463-M467 WeakPolarHBondContact O-CB 3.1Å; Q463-M467 PolarHBondContact O-N 2.9Å
464E91.5Very high89.1Confident128 Ų12856.8 Ų56.860%0.59829%0.294SS*.Hα-helixtrans-64.7-49178.2-62.973.7-159.200111.5T462 M467 A468T462-E464 WeakPolarHBondContact CB-OE2 3.23Å; T462-E464 PolarHBondContact O-N 2.79Å; T462-E464 PolarHBondContact OG1-OE2 3.49Å; E464-M467 PolarHBondContact O-N 3.21Å; E464-A468 WeakPolarHBondContact O-CB 3.33Å; E464-A468 PolarHBondContact O-N 2.99Å
465V91.4Very high87.1Confident27 Ų2763 Ų6316%0.16432%0.324CS..Hα-helixtrans-63.3-47.1-179.51710000110.9F456 T462 M467 A468 A469 V477F456-V465 HydrophobicContact CD1-CG1 3.7Å; F456-V465 HydrophobicContact CE1-CG1 3.23Å; F456-V465 HydrophobicContact CE2-CG1 4.46Å; F456-V465 HydrophobicContact CG-CG1 4.47Å; F456-V465 HydrophobicContact CZ-CG1 3.65Å; T462-V465 PolarHBondContact O-N 3.39Å; T462-V465 WeakPolarHBondContact OG1-CG2 3.48Å; T462-V465 PolarHBondContact OG1-N 2.84Å; V465-M467 VanDerWaalsContact C-N 3.34Å; V465-M467 PolarHBondContact O-N 3.15Å; V465-A468 PolarHBondContact O-N 3.43Å; V465-A469 PolarHBondContact O-N 3.32Å; V465-V477 HydrophobicContact CG2-CG1 4.06Å
466L93.5Very high84.7Confident0 Ų067 Ų670%034%0.335CS..Hα-helixtrans-64.9-38.7179-65.1179.9000111.8M434 L438 I444 V446 F456 A461 T462 A469 A470M434-L466 HydrophobicContact CE-CB 3.83Å; M434-L466 HydrophobicContact SD-CB 3.78Å; M434-L466 HydrophobicContact SD-CD1 3.39Å; M434-L466 WeakPolarHBondContact SD-CD1 3.46Å; M434-L466 HydrophobicContact SD-CG 4.24Å; L438-L466 HydrophobicContact CD2-CD1 3.6Å; L438-L466 HydrophobicContact CG-CD1 4.13Å; I444-L466 HydrophobicContact CB-CD2 4.29Å; I444-L466 HydrophobicContact CD1-CD1 3.91Å; I444-L466 HydrophobicContact CG2-CD1 4.21Å; I444-L466 HydrophobicContact CG2-CD2 3.75Å; V446-L466 HydrophobicContact CG2-CD2 3.57Å; F456-L466 HydrophobicContact CB-CD2 4.44Å; F456-L466 HydrophobicContact CD2-CD2 3.45Å; F456-L466 VanDerWaalsContact CD2-CD2 3.45Å; F456-L466 HydrophobicContact CE2-CD2 3.9Å; F456-L466 HydrophobicContact CG-CD2 4.08Å; A461-L466 HydrophobicContact CB-CD1 4.2Å; A461-L466 HydrophobicContact CB-CD2 4.33Å; A461-L466 HydrophobicContact CB-CG 4.36Å; T462-L466 WeakPolarHBondContact O-CB 3.32Å; T462-L466 VanDerWaalsContact O-CG 3.29Å; T462-L466 WeakPolarHBondContact O-CG 3.43Å; T462-L466 PolarHBondContact O-N 3.04Å; L466-A469 PolarHBondContact O-N 3.36Å; L466-A470 WeakPolarHBondContact O-CB 3.21Å; L466-A470 PolarHBondContact O-N 3.11Å
467M92Very high82.4Confident83 Ų8368.5 Ų68.541%0.40935%0.346SS..Hα-helixtrans-66.6-42.7176.3-17260.368.100111.4L270 M434 Q463 E464 V465 A469 A470 V471L270-M467 HydrophobicContact CD2-SD 4.21Å; M434-M467 HydrophobicContact CE-CE 4.37Å; Q463-M467 WeakPolarHBondContact O-CB 3.1Å; Q463-M467 PolarHBondContact O-N 2.9Å; E464-M467 PolarHBondContact O-N 3.21Å; V465-M467 VanDerWaalsContact C-N 3.34Å; V465-M467 PolarHBondContact O-N 3.15Å; M467-A469 VanDerWaalsContact C-N 3.32Å; M467-A469 PolarHBondContact O-N 3.41Å; M467-A470 PolarHBondContact O-N 3.06Å; M467-A470 VanDerWaalsContact O-N 3.14Å; M467-V471 WeakPolarHBondContact O-CG2 3.22Å; M467-V471 PolarHBondContact O-N 3.29Å; M467-V471 VanDerWaalsContact O-N 3.09Å
468A92.9Very high80.1Confident13 Ų1373.3 Ų73.311%0.10737%0.37CS..Hα-helixtrans-60.7-41.3175.900000112.1E464 V465 V471 G472 K473 V477E464-A468 WeakPolarHBondContact O-CB 3.33Å; E464-A468 PolarHBondContact O-N 2.99Å; V465-A468 PolarHBondContact O-N 3.43Å; A468-V471 WeakPolarHBondContact O-CG2 3.19Å; A468-V471 PolarHBondContact O-N 3.21Å; A468-G472 PolarHBondContact O-N 3.08Å; A468-K473 PolarHBondContact O-N 3.3Å; A468-V477 HydrophobicContact CB-CG2 3.25Å
469A93.5Very high77.5Confident0 Ų075.7 Ų75.70%039%0.387CS..Hα-helixtrans-62.9-41.4172.900000111.9V446 S453 F456 V465 L466 M467 V471 G472 L474V446-A469 HydrophobicContact CB-CB 3.9Å; V446-A469 HydrophobicContact CG1-CB 3.83Å; V446-A469 HydrophobicContact CG2-CB 4.02Å; S453-A469 VanDerWaalsContact CB-O 3.3Å; S453-A469 WeakPolarHBondContact CB-O 3.45Å; S453-A469 PolarHBondContact OG-O 2.92Å; F456-A469 HydrophobicContact CE2-CB 3.91Å; F456-A469 HydrophobicContact CZ-CB 3.96Å; V465-A469 PolarHBondContact O-N 3.32Å; L466-A469 PolarHBondContact O-N 3.36Å; M467-A469 VanDerWaalsContact C-N 3.32Å; M467-A469 PolarHBondContact O-N 3.41Å; A469-V471 VanDerWaalsContact C-N 3.28Å; A469-V471 PolarHBondContact O-N 3.13Å; A469-G472 PolarHBondContact O-N 2.93Å; A469-G472 VanDerWaalsContact O-N 3.13Å; A469-L474 HydrophobicContact CB-CD1 3.45Å; A469-L474 VanDerWaalsContact CB-CD1 3.45Å; A469-L474 HydrophobicContact CB-CG 3.98Å
470A92.2Very high75Confident2 Ų280.5 Ų80.52%0.01741%0.409CS..Hα-helixtrans-68.5-23.9-178.300000113.7L270 V446 H448 L466 M467L270-A470 HydrophobicContact CD2-CB 4.48Å; L270-A470 HydrophobicContact CG-CB 4.12Å; V446-A470 HydrophobicContact CG1-CB 3.8Å; H448-A470 PolarHBondContact ND1-O 2.99Å; L466-A470 WeakPolarHBondContact O-CB 3.21Å; L466-A470 PolarHBondContact O-N 3.11Å; M467-A470 PolarHBondContact O-N 3.06Å; M467-A470 VanDerWaalsContact O-N 3.14Å
471V92.1Very high74.4Confident60 Ų6079.8 Ų79.836%0.36441%0.407SS..THydrogen-bonded Turntrans-98.15.8173.6-59.60000113.6L270 M467 A468 A469 K473L270-V471 HydrophobicContact CD1-CG1 3.96Å; M467-V471 WeakPolarHBondContact O-CG2 3.22Å; M467-V471 PolarHBondContact O-N 3.29Å; M467-V471 VanDerWaalsContact O-N 3.09Å; A468-V471 WeakPolarHBondContact O-CG2 3.19Å; A468-V471 PolarHBondContact O-N 3.21Å; A469-V471 VanDerWaalsContact C-N 3.28Å; A469-V471 PolarHBondContact O-N 3.13Å; V471-K473 HydrophobicContact CG2-CB 3.91Å; V471-K473 HydrophobicContact CG2-CD 3.99Å; V471-K473 HydrophobicContact CG2-CG 3.9Å
472G86.1Confident73.6Confident46 Ų4683.3 Ų83.347%0.47442%0.423SS..THydrogen-bonded Turntrans72.127.5179.700000115A468 A469A468-G472 PolarHBondContact O-N 3.08Å; A469-G472 PolarHBondContact O-N 2.93Å; A469-G472 VanDerWaalsContact O-N 3.13Å
473K80.8Confident72.5Confident104 Ų10484.7 Ų84.745%0.45243%0.427SS..  trans-116.422.9-175.7-69-175.1178.5175.80115.1A468 V471 N475 R476A468-K473 PolarHBondContact O-N 3.3Å; V471-K473 HydrophobicContact CG2-CB 3.91Å; V471-K473 HydrophobicContact CG2-CD 3.99Å; V471-K473 HydrophobicContact CG2-CG 3.9Å; K473-N475 PolarHBondContact O-N 2.85Å; K473-R476 PolarHBondContact O-N 2.88Å
474L68.5Low71.3Confident46 Ų4683.6 Ų83.624%0.24142%0.424CS..Hα-helixtrans-48.7-35.9-178.8-112147.6000114.1S453 F456 A469 R476 V477S453-L474 WeakPolarHBondContact O-CD1 3.29Å; F456-L474 HydrophobicContact CE1-CD2 4.16Å; F456-L474 HydrophobicContact CZ-CD1 4.04Å; F456-L474 HydrophobicContact CZ-CD2 3.95Å; F456-L474 HydrophobicContact CZ-CG 4.36Å; A469-L474 HydrophobicContact CB-CD1 3.45Å; A469-L474 VanDerWaalsContact CB-CD1 3.45Å; A469-L474 HydrophobicContact CB-CG 3.98Å; L474-R476 PolarHBondContact O-N 3.03Å; L474-V477 PolarHBondContact O-N 2.58Å
475N51.1Low70.1Confident144 Ų14480.8 Ų80.877%0.7741%0.413SS*.Hα-helixtrans-64.4-11.1178.2-67.4-10.2000115.2K473K473-N475 PolarHBondContact O-N 2.85Å
476R41.5Very low68.7Low167 Ų16784.4 Ų84.463%0.6343%0.429SS*.Hα-helixtrans-95.6-21.5-179.5-67.1-171.4-178.2-172.7-0.8114.4K473 L474K473-R476 PolarHBondContact O-N 2.88Å; L474-R476 PolarHBondContact O-N 3.03Å
477V45.1Very low66.9Low50 Ų5090.4 Ų90.430%0.30346%0.46SS..Hα-helixtrans-80.6-26.9-175.5-178.90000112.1V465 A468 L474 Q479V465-V477 HydrophobicContact CG2-CG1 4.06Å; A468-V477 HydrophobicContact CB-CG2 3.25Å; L474-V477 PolarHBondContact O-N 2.58Å; V477-Q479 PolarHBondContact O-N 3.03Å
478N38.2Very low65Low144 Ų14491 Ų9177%0.7746%0.464SS*.THydrogen-bonded Turntrans-84.47.7176.2-66.1-10.8000113.6
479Q33.1Very low62.6Low167 Ų16797.5 Ų97.578%0.7849%0.494SS*.THydrogen-bonded Turntrans-111.40.1-179.7-71.1-169.7-6.600113.9V477V477-Q479 PolarHBondContact O-N 3.03Å
480E29.7Very low59.8Low240 Ų240106.4 Ų106.4100%1.12254%0.538SS*.  trans-113.30170.5-69.1-177.217100109.2

Retrieved 480 of 480 residues in 187 ms (Link to these results)

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