A0A077Z2I3_TRITR Loading...

Splicing factor 3B subunit 3

AlphaFold DB , UniProt , Accession A0A077Z2I3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,195 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
1M86.5Confident92.9Very high100 Ų10026.9 Ų26.949%0.49313%0.132SC..  0112.20176.6175.2-177.800105.4L3 L1017 I1033 I1070 A1150M1-L3 HydrophobicContact CE-CD1 4.28Å; M1-L3 HydrophobicContact CE-CD2 3.78Å; M1-L3 HydrophobicContact CE-CG 4.38Å; M1-L3 HydrophobicContact CG-CD2 4.37Å; M1-L1017 HydrophobicContact CE-CD1 4.09Å; M1-I1033 HydrophobicContact CE-CD1 3.94Å; M1-I1070 HydrophobicContact CB-CG2 4Å; M1-A1150 WeakPolarHBondContact O-CB 3.16Å
2N93.9Very high92.9Very high40 Ų4025.7 Ų25.721%0.21413%0.128CC..  trans-117.4136.6-179.4-58.1-24.9000107.5F1110 Q1113 F1116 A1150N2-F1110 HydrophobicContact CB-CD2 3.9Å; N2-F1110 PolarHBondContact O-N 2.78Å; N2-F1110 VanDerWaalsContact O-N 3.08Å; N2-Q1113 PolarHBondContact ND2-OE1 2.86Å; N2-F1116 HydrophobicContact CB-CB 4.44Å; N2-F1116 HydrophobicContact CB-CD1 4.48Å; N2-F1116 HydrophobicContact CB-CD2 3.47Å; N2-F1116 VanDerWaalsContact CB-CD2 3.47Å; N2-F1116 HydrophobicContact CB-CE2 3.72Å; N2-F1116 HydrophobicContact CB-CG 3.87Å; N2-F1116 HydrophobicContact CB-CZ 4.34Å; N2-F1116 VanDerWaalsContact ND2-CD1 3.32Å; N2-F1116 WeakPolarHBondContact ND2-CD1 3.49Å; N2-F1116 WeakPolarHBondContact ND2-CG 3.13Å; N2-A1150 WeakPolarHBondContact CA-O 3.17Å
3L95.9Very high93.1Very high4 Ų424.2 Ų24.22%0.02112%0.122CC..EExtended strand (participates in β ladder)trans-121.1151.5-172.4-61.5174.7000111.3M1 I1033 A1071 L1107 A1108 P1109 F1110 A1150 V1151 V1152M1-L3 HydrophobicContact CE-CD1 4.28Å; M1-L3 HydrophobicContact CE-CD2 3.78Å; M1-L3 HydrophobicContact CE-CG 4.38Å; M1-L3 HydrophobicContact CG-CD2 4.37Å; L3-I1033 HydrophobicContact CD1-CD1 3.44Å; L3-I1033 VanDerWaalsContact CD1-CD1 3.44Å; L3-A1071 HydrophobicContact CD1-CB 4.22Å; L3-L1107 HydrophobicContact CB-CD2 4.19Å; L3-L1107 HydrophobicContact CD1-CB 4.25Å; L3-L1107 HydrophobicContact CD1-CD1 4.16Å; L3-A1108 CarbonylContact C-O 3.56Å; L3-A1108 WeakPolarHBondContact CA-O 3.33Å; L3-P1109 HydrophobicContact CD2-CB 4.26Å; L3-F1110 WeakPolarHBondContact O-CE2 3.44Å; L3-A1150 PolarHBondContact N-O 3.02Å; L3-V1151 HydrophobicContact CB-CG1 4.49Å; L3-V1151 HydrophobicContact CB-CG2 4.21Å; L3-V1151 HydrophobicContact CD1-CG2 4.47Å; L3-V1151 CarbonylContact O-C 3.39Å; L3-V1151 WeakPolarHBondContact O-CA 3.4Å; L3-V1152 PolarHBondContact O-N 3.43Å
4Y95.8Very high93.3Very high2 Ų222.7 Ų22.71%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-116.4122173.2-174-107.3000108.9L6 L1107 A1108 F1110 F1119 V1152 G1154 I1189Y4-L6 HydrophobicContact CD1-CD1 3.89Å; Y4-L6 HydrophobicContact CD1-CD2 4.23Å; Y4-L6 HydrophobicContact CD1-CG 3.67Å; Y4-L6 HydrophobicContact CE1-CD1 3.77Å; Y4-L6 HydrophobicContact CE1-CD2 3.48Å; Y4-L6 VanDerWaalsContact CE1-CD2 3.48Å; Y4-L6 HydrophobicContact CE1-CG 3.45Å; Y4-L6 VanDerWaalsContact CE1-CG 3.45Å; Y4-L1107 WeakPolarHBondContact O-CA 3.38Å; Y4-A1108 PolarHBondContact N-O 3.33Å; Y4-A1108 PolarHBondContact O-N 3.18Å; Y4-F1110 HydrophobicContact CD2-CE1 4.36Å; Y4-F1110 HydrophobicContact CD2-CE2 4.43Å; Y4-F1110 AromaticContact CD2-CZ 3.69Å; Y4-F1110 HydrophobicContact CD2-CZ 3.69Å; Y4-F1110 HydrophobicContact CG-CZ 4.08Å; Y4-F1119 AromaticContact CE2-CD1 3.94Å; Y4-F1119 HydrophobicContact CE2-CD1 3.94Å; Y4-F1119 HydrophobicContact CE2-CE1 4.42Å; Y4-F1119 HydrophobicContact CE2-CG 4.34Å; Y4-V1152 HydrophobicContact CD2-CB 4.19Å; Y4-V1152 HydrophobicContact CD2-CG1 4.26Å; Y4-V1152 HydrophobicContact CE2-CG1 4.39Å; Y4-G1154 VanDerWaalsContact OH-CA 3.23Å; Y4-G1154 WeakPolarHBondContact OH-CA 3.27Å; Y4-I1189 HydrophobicContact CD1-CG2 3.43Å; Y4-I1189 VanDerWaalsContact CD1-CG2 3.43Å; Y4-I1189 HydrophobicContact CE1-CB 4.39Å; Y4-I1189 HydrophobicContact CE1-CG2 3.53Å; Y4-I1189 HydrophobicContact CG-CG2 4.24Å
5H96.2Very high93.4Very high2 Ų228.5 Ų28.51%0.00914%0.136CC..EExtended strand (participates in β ladder)trans-85.4134.4179.7174.9-98.4000111.1F1073 Y1097 L1107 V1151 V1152 D1153 G1154 D1155H5-F1073 HydrophobicContact CB-CE1 4.24Å; H5-F1073 HydrophobicContact CB-CE2 4.3Å; H5-F1073 HydrophobicContact CB-CZ 3.89Å; H5-F1073 AromaticContact CD2-CE1 3.33Å; H5-F1073 WeakPolarHBondContact CD2-CE1 3.34Å; H5-F1073 AromaticContact CD2-CZ 3.78Å; H5-F1073 AromaticContact CE1-CE1 3.87Å; H5-F1073 AromaticContact CG-CE1 3.55Å; H5-F1073 AromaticContact CG-CZ 3.46Å; H5-F1073 VanDerWaalsContact CG-CZ 3.46Å; H5-F1073 AromaticContact ND1-CE1 3.87Å; H5-F1073 AromaticContact ND1-CZ 3.63Å; H5-F1073 AromaticContact NE2-CE1 3.54Å; H5-Y1097 AromaticContact NE2-CE1 3.84Å; H5-Y1097 AromaticContact NE2-CZ 3.62Å; H5-Y1097 PolarHBondContact NE2-OH 2.96Å; H5-L1107 HydrophobicContact CB-CD2 3.94Å; H5-V1151 HydrophobicContact CB-CG1 4.02Å; H5-V1152 PolarHBondContact N-O 3.3Å; H5-D1153 IonicContact ND1-OD1 3.33Å; H5-D1153 PolarHBondContact ND1-OD1 2.93Å; H5-G1154 WeakPolarHBondContact O-CA 3.41Å; H5-G1154 PolarHBondContact O-N 3.42Å; H5-D1155 IonicContact CE1-OD2 2.74Å; H5-D1155 PolarHBondContact CE1-OD2 3.33Å; H5-D1155 IonicContact ND1-OD2 3.62Å; H5-D1155 PolarHBondContact ND1-OD2 3.44Å
6L92.8Very high93.5Very high3 Ų328.1 Ų28.12%0.01614%0.136CC..EExtended strand (participates in β ladder)trans-140.2137.9175.1-78.7172.8000111.2Y4 G1105 A1106 I1189Y4-L6 HydrophobicContact CD1-CD1 3.89Å; Y4-L6 HydrophobicContact CD1-CD2 4.23Å; Y4-L6 HydrophobicContact CD1-CG 3.67Å; Y4-L6 HydrophobicContact CE1-CD1 3.77Å; Y4-L6 HydrophobicContact CE1-CD2 3.48Å; Y4-L6 VanDerWaalsContact CE1-CD2 3.48Å; Y4-L6 HydrophobicContact CE1-CG 3.45Å; Y4-L6 VanDerWaalsContact CE1-CG 3.45Å; L6-G1105 CarbonylContact O-C 3.47Å; L6-G1105 VanDerWaalsContact O-CA 3.25Å; L6-G1105 WeakPolarHBondContact O-CA 3.38Å; L6-A1106 PolarHBondContact N-O 3.18Å; L6-A1106 PolarHBondContact O-N 3.31Å; L6-I1189 HydrophobicContact CD1-CG2 4.4Å
7T92.7Very high93.7Very high12 Ų1226.7 Ų26.77%0.07413%0.131CC..EExtended strand (participates in β ladder)trans-91.3120.2168.1-63.50000110.8Q9 K10 T1103 D1155 R1190T7-Q9 WeakPolarHBondContact CG2-O 3.23Å; T7-K10 HydrophobicContact CG2-CG 4.15Å; T7-T1103 HydrophobicContact CG2-CG2 3.98Å; T7-D1155 PolarHBondContact N-OD1 3.17Å; T7-D1155 PolarHBondContact OG1-OD2 2.82Å; T7-R1190 PolarHBondContact O-NH2 3.26Å
8L90.8Very high93.7Very high13 Ų1326.2 Ų26.27%0.06813%0.129CC..EExtended strand (participates in β ladder)trans-86.2-45.1176.1-57.5178.4000111F753 L1087 I1104 A1106 A1194 F1195L8-F753 HydrophobicContact CB-CE2 4.11Å; L8-F753 HydrophobicContact CB-CZ 4.26Å; L8-L1087 HydrophobicContact CD1-CD1 3.64Å; L8-I1104 WeakPolarHBondContact CA-O 3.3Å; L8-I1104 WeakPolarHBondContact CB-O 3.27Å; L8-I1104 HydrophobicContact CD1-CG2 4.26Å; L8-I1104 PolarHBondContact N-O 3.42Å; L8-A1106 HydrophobicContact CD1-CB 4.31Å; L8-A1106 HydrophobicContact CG-CB 4.42Å; L8-A1194 HydrophobicContact CD2-CB 3.62Å; L8-F1195 HydrophobicContact CD1-CE2 4.45Å; L8-F1195 HydrophobicContact CD2-CD2 4.44Å
9Q91.3Very high93.7Very high35 Ų3526.3 Ų26.316%0.16414%0.137CC..EExtended strand (participates in β ladder)trans-128.3120.8175.9178.161.239.100107.9T7 L409 F753 Y755 T1103 I1104T7-Q9 WeakPolarHBondContact CG2-O 3.23Å; Q9-L409 HydrophobicContact CG-CD1 3.94Å; Q9-F753 HydrophobicContact CB-CD2 4.28Å; Q9-F753 HydrophobicContact CB-CE2 4.18Å; Q9-Y755 PolarHBondContact NE2-OH 3.3Å; Q9-Y755 PolarHBondContact OE1-OH 3.21Å; Q9-T1103 VanDerWaalsContact O-CA 3.3Å; Q9-T1103 WeakPolarHBondContact O-CA 3.46Å; Q9-T1103 WeakPolarHBondContact O-CG2 3.28Å; Q9-I1104 HydrophobicContact CB-CB 4Å; Q9-I1104 HydrophobicContact CB-CD1 4.33Å; Q9-I1104 HydrophobicContact CB-CG1 4.25Å; Q9-I1104 PolarHBondContact N-O 3.34Å; Q9-I1104 PolarHBondContact O-N 3.4Å
10K91.9Very high93.6Very high78 Ų7825.4 Ų25.434%0.33913%0.134SC..  trans-64.8158.8175.7-74.8-175.5177.7-179.90111.5T7 S55T7-K10 HydrophobicContact CG2-CG 4.15Å; K10-S55 PolarHBondContact NZ-O 3.1Å; K10-S55 VanDerWaalsContact NZ-O 3.15Å; K10-S55 PolarHBondContact NZ-OG 3.11Å; K10-S55 VanDerWaalsContact NZ-OG 3.08Å
11P94Very high93.6Very high7 Ų724.4 Ų24.45%0.04513%0.13CC..  trans-56.5142.8175.425-36.8000111H34 V37 E1077 T1103P11-H34 HydrophobicContact CB-CB 4.02Å; P11-H34 HydrophobicContact CG-CB 3.73Å; P11-V37 HydrophobicContact CG-CB 4.21Å; P11-V37 HydrophobicContact CG-CG2 3.67Å; P11-E1077 WeakPolarHBondContact CB-OE1 3.33Å; P11-T1103 VanDerWaalsContact CA-OG1 3.3Å; P11-T1103 WeakPolarHBondContact CA-OG1 3.05Å; P11-T1103 WeakPolarHBondContact CB-OG1 3.25Å; P11-T1103 WeakPolarHBondContact CD-OG1 3.5Å
12S93.1Very high94Very high12 Ų1219.6 Ų19.68%0.08411%0.106CC..  trans-111-19.5178.945.50000112.5I14 H359 S408 L409 A410 S1101S12-I14 PolarHBondContact O-N 3.27Å; S12-H359 PolarHBondContact O-NE2 3.44Å; S12-S408 WeakPolarHBondContact CB-OG 3.39Å; S12-S408 PolarHBondContact OG-OG 3Å; S12-L409 PolarHBondContact OG-N 3.1Å; S12-A410 PolarHBondContact OG-N 2.6Å; S12-S1101 PolarHBondContact N-O 3.21Å; S12-S1101 PolarHBondContact OG-O 3.39Å
13A95Very high93.8Very high6 Ų618.7 Ų18.75%0.0510%0.103CC..  trans-59.7132.6173.200000111.4Y15 H34 A410 S1101A13-Y15 HydrophobicContact CB-CE1 4.48Å; A13-Y15 HydrophobicContact CB-CE2 4.37Å; A13-H34 VanDerWaalsContact O-CA 3.22Å; A13-H34 WeakPolarHBondContact O-CA 3.41Å; A13-H34 WeakPolarHBondContact O-CB 3.43Å; A13-H34 PolarHBondContact O-ND1 2.78Å; A13-A410 HydrophobicContact CB-CB 3.65Å; A13-S1101 PolarHBondContact N-O 3.07Å
14I96.7Very high93.3Very high4 Ų419.7 Ų19.72%0.02111%0.114CC..  trans-106.7113.1172.5-63.3171.7000108.6S12 C16 A17 V32 H34 N340 F351 A353 H359S12-I14 PolarHBondContact O-N 3.27Å; I14-C16 WeakPolarHBondContact CG2-O 3.41Å; I14-A17 HydrophobicContact CG2-CB 4.21Å; I14-V32 HydrophobicContact CD1-CB 4.29Å; I14-V32 HydrophobicContact CD1-CG1 4.16Å; I14-V32 HydrophobicContact CG1-CB 4.35Å; I14-V32 HydrophobicContact CG2-CB 4.02Å; I14-V32 HydrophobicContact CG2-CG1 4.27Å; I14-H34 VanDerWaalsContact CG1-CE1 3.42Å; I14-H34 WeakPolarHBondContact CG1-CE1 3.45Å; I14-N340 PolarHBondContact O-ND2 2.87Å; I14-F351 HydrophobicContact CD1-CE1 4.46Å; I14-F351 HydrophobicContact CD1-CZ 3.91Å; I14-A353 HydrophobicContact CB-CB 4.01Å; I14-A353 HydrophobicContact CD1-CB 4.39Å; I14-A353 HydrophobicContact CG2-CB 3.61Å; I14-H359 VanDerWaalsContact CD1-CD2 3.46Å; I14-H359 WeakPolarHBondContact CD1-CD2 3.26Å
15Y95Very high92.7Very high110 Ų11025.3 Ų25.343%0.43114%0.142SC..SBendtrans-89.4-28.2178.2-62-65.2000112.8A13 G33 S1101A13-Y15 HydrophobicContact CB-CE1 4.48Å; A13-Y15 HydrophobicContact CB-CE2 4.37Å; Y15-G33 PolarHBondContact N-O 2.69Å; Y15-S1101 PolarHBondContact OH-OG 3.31Å
16C94.4Very high92Very high21 Ų2134.9 Ų34.914%0.14218%0.183CC..EExtended strand (participates in β ladder)trans-146.5145.3177.156.70000110.2I14 V32 G33 L65I14-C16 WeakPolarHBondContact CG2-O 3.41Å; C16-V32 WeakPolarHBondContact O-CA 3.31Å; C16-G33 PolarHBondContact O-N 2.78Å; C16-L65 HydrophobicContact CB-CB 4.12Å
17A96Very high91.4Very high5 Ų538.7 Ų38.74%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-142.8138.617600000109.4I14 V30 V31 V32 S341 F351 A353I14-A17 HydrophobicContact CG2-CB 4.21Å; A17-V30 HydrophobicContact CB-CG1 4.3Å; A17-V31 CarbonylContact C-O 3.58Å; A17-V31 WeakPolarHBondContact CA-O 3.2Å; A17-V32 HydrophobicContact CB-CG1 3.9Å; A17-S341 PolarHBondContact O-OG 2.84Å; A17-F351 HydrophobicContact CB-CD1 4.48Å; A17-F351 HydrophobicContact CB-CE1 4.11Å; A17-A353 HydrophobicContact CB-CB 4.25Å
18V94.8Very high91.1Very high18 Ų1838.7 Ų38.711%0.10920%0.201CC..EExtended strand (participates in β ladder)trans-135134.3177-61.10000110.9F22 V30 V31 L65V18-F22 HydrophobicContact CG2-CZ 4.03Å; V18-V30 CarbonylContact O-C 3.2Å; V18-V30 WeakPolarHBondContact O-CA 3.39Å; V18-V31 HydrophobicContact CG2-CB 3.95Å; V18-V31 PolarHBondContact N-O 2.72Å; V18-V31 PolarHBondContact O-N 3.08Å; V18-L65 HydrophobicContact CG1-CB 4.43Å; V18-L65 HydrophobicContact CG1-CD2 4.34Å; V18-L65 HydrophobicContact CG1-CG 4.14Å; V18-L65 WeakPolarHBondContact CG1-O 3.37Å; V18-L65 HydrophobicContact CG2-CD2 3.81Å; V18-L65 HydrophobicContact CG2-CG 3.88Å
19G93.5Very high91.2Very high27 Ų2738.1 Ų38.128%0.27820%0.198SC..EExtended strand (participates in β ladder)trans-90.2148173.200000112.1S67G19-S67 PolarHBondContact O-OG 3.43Å
20G91.8Very high91.4Very high8 Ų836.5 Ų36.58%0.08219%0.19CC..EExtended strand (participates in β ladder)trans-177.2167.8176.400000113.5F22 T28 E29 D76G20-F22 PolarHBondContact O-N 3.06Å; G20-T28 WeakPolarHBondContact O-CA 3.47Å; G20-E29 PolarHBondContact N-O 2.83Å; G20-E29 PolarHBondContact O-N 3.26Å; G20-E29 VanDerWaalsContact O-O 3.07Å; G20-D76 WeakPolarHBondContact CA-OD2 3.45Å
21S93.3Very high91.7Very high5 Ų532.8 Ų32.84%0.03517%0.174CC..  trans-88.876.2167.9-61.40000108.9G24 Q27 D76S21-G24 PolarHBondContact O-N 3.47Å; S21-Q27 PolarHBondContact OG-O 2.8Å; S21-D76 PolarHBondContact N-OD2 2.98Å; S21-D76 PolarHBondContact O-N 2.87Å
22F94.5Very high91.8Very high0 Ų032.4 Ų32.40%017%0.172CC..  trans-79.3-28.9-174.7-60.1-65.1000112.2V18 G20 G24 E29 V31 K75 D76 I78 Y92V18-F22 HydrophobicContact CG2-CZ 4.03Å; G20-F22 PolarHBondContact O-N 3.06Å; F22-G24 PolarHBondContact O-N 3.14Å; F22-E29 HydrophobicContact CD2-CB 3.91Å; F22-E29 PolarHBondContact N-OE2 2.82Å; F22-V31 HydrophobicContact CD1-CG2 4.31Å; F22-V31 HydrophobicContact CD2-CG2 3.45Å; F22-V31 VanDerWaalsContact CD2-CG2 3.45Å; F22-V31 HydrophobicContact CE1-CG2 4.15Å; F22-V31 HydrophobicContact CE2-CB 4.13Å; F22-V31 HydrophobicContact CE2-CG2 3.27Å; F22-V31 HydrophobicContact CG-CG2 4Å; F22-V31 HydrophobicContact CZ-CB 4.34Å; F22-V31 HydrophobicContact CZ-CG2 3.65Å; F22-K75 WeakPolarHBondContact O-CE 3.43Å; F22-D76 HydrophobicContact CD1-CB 3.97Å; F22-D76 HydrophobicContact CE1-CB 4.01Å; F22-I78 HydrophobicContact CD1-CD1 3.95Å; F22-I78 HydrophobicContact CD1-CG1 3.54Å; F22-I78 HydrophobicContact CE1-CD1 4.16Å; F22-I78 HydrophobicContact CE1-CG1 3.38Å; F22-I78 HydrophobicContact CG-CD1 4.43Å; F22-I78 HydrophobicContact CG-CG1 4.45Å; F22-I78 HydrophobicContact CZ-CG1 4.19Å; F22-Y92 HydrophobicContact CB-CD1 4.38Å
23S89.9Confident92Very high21 Ų2131.9 Ų31.915%0.14717%0.168CC..SBendtrans-74.8-11.7173.161.20000113.8M25 E29S23-M25 PolarHBondContact O-N 3.23Å; S23-M25 WeakPolarHBondContact OG-CB 3.36Å; S23-M25 PolarHBondContact OG-N 2.91Å; S23-E29 WeakPolarHBondContact CB-OE1 3.06Å; S23-E29 PolarHBondContact N-OE2 2.8Å; S23-E29 PolarHBondContact OG-OE1 3.01Å; S23-E29 PolarHBondContact OG-OE2 3.45Å
24G86Confident91.9Very high24 Ų2432.1 Ų32.125%0.24717%0.168CC..SBendtrans75.63-171.200000114.2S21 F22S21-G24 PolarHBondContact O-N 3.47Å; F22-G24 PolarHBondContact O-N 3.14Å
25M83.6Confident91.7Very high120 Ų12032.5 Ų32.559%0.59117%0.173SC*.SBendtrans-85.3172.5172.1-59.5-170.1179.100111.1S23 Q27S23-M25 PolarHBondContact O-N 3.23Å; S23-M25 WeakPolarHBondContact OG-CB 3.36Å; S23-M25 PolarHBondContact OG-N 2.91Å; M25-Q27 PolarHBondContact O-N 3.45Å
26K80.3Confident91.6Very high203 Ų20327.7 Ų27.788%0.88315%0.154SC*.SBendtrans-66.9-20.6175.2-70.2-175.1179.8178.90113.1
27Q81Confident91.7Very high84 Ų8426.8 Ų26.839%0.39315%0.148SC..SBendtrans-66152.5176.9-67.5179.4-14.400110.5S21 M25S21-Q27 PolarHBondContact OG-O 2.8Å; M25-Q27 PolarHBondContact O-N 3.45Å
28T86.1Confident91.6Very high12 Ų1226.5 Ų26.57%0.07415%0.146CC..  trans-109.1127.3175.848.80000109G20 K346G20-T28 WeakPolarHBondContact O-CA 3.47Å; T28-K346 HydrophobicContact CG2-CB 4Å; T28-K346 HydrophobicContact CG2-CD 3.98Å; T28-K346 HydrophobicContact CG2-CG 3.97Å
29E94.1Very high91.6Very high0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-105162172.6-63.598.8-179.700109.9G20 F22 S23 V40 L41 R42 L53G20-E29 PolarHBondContact N-O 2.83Å; G20-E29 PolarHBondContact O-N 3.26Å; G20-E29 VanDerWaalsContact O-O 3.07Å; F22-E29 HydrophobicContact CD2-CB 3.91Å; F22-E29 PolarHBondContact N-OE2 2.82Å; S23-E29 WeakPolarHBondContact CB-OE1 3.06Å; S23-E29 PolarHBondContact N-OE2 2.8Å; S23-E29 PolarHBondContact OG-OE1 3.01Å; S23-E29 PolarHBondContact OG-OE2 3.45Å; E29-V40 HydrophobicContact CB-CG1 4.25Å; E29-L41 CarbonylContact C-O 3.59Å; E29-L41 WeakPolarHBondContact CA-O 2.97Å; E29-L41 WeakPolarHBondContact CB-O 3.14Å; E29-R42 HydrophobicContact CG-CB 4.23Å; E29-R42 HydrophobicContact CG-CG 4.49Å; E29-R42 IonicContact OE1-CZ 3.33Å; E29-R42 IonicContact OE1-NE 3.11Å; E29-R42 PolarHBondContact OE1-NE 3.33Å; E29-R42 IonicContact OE1-NH2 2.7Å; E29-R42 PolarHBondContact OE1-NH2 2.85Å; E29-L53 HydrophobicContact CG-CD1 4.4Å
30V95.5Very high91.7Very high1 Ų125.7 Ų25.71%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-119.4126.3176.3-176.20000108.5A17 V18 V32 L41 M50 L345 F351A17-V30 HydrophobicContact CB-CG1 4.3Å; V18-V30 CarbonylContact O-C 3.2Å; V18-V30 WeakPolarHBondContact O-CA 3.39Å; V30-V32 HydrophobicContact CG1-CG1 3.82Å; V30-L41 HydrophobicContact CB-CB 4.38Å; V30-L41 PolarHBondContact N-O 3.26Å; V30-L41 PolarHBondContact O-N 3.09Å; V30-M50 HydrophobicContact CB-CE 4.29Å; V30-M50 HydrophobicContact CG2-CE 4.17Å; V30-L345 HydrophobicContact CG2-CD1 4.27Å; V30-L345 HydrophobicContact CG2-CD2 3.73Å; V30-F351 HydrophobicContact CG1-CD1 3.84Å; V30-F351 HydrophobicContact CG1-CE1 4.01Å
31V96.8Very high91.7Very high0 Ų025.6 Ų25.60%013%0.131CC..EExtended strand (participates in β ladder)trans-100.4125.9172.7-179.40000107.8A17 V18 F22 L38 E39 V40 L65 I78A17-V31 CarbonylContact C-O 3.58Å; A17-V31 WeakPolarHBondContact CA-O 3.2Å; V18-V31 HydrophobicContact CG2-CB 3.95Å; V18-V31 PolarHBondContact N-O 2.72Å; V18-V31 PolarHBondContact O-N 3.08Å; F22-V31 HydrophobicContact CD1-CG2 4.31Å; F22-V31 HydrophobicContact CD2-CG2 3.45Å; F22-V31 VanDerWaalsContact CD2-CG2 3.45Å; F22-V31 HydrophobicContact CE1-CG2 4.15Å; F22-V31 HydrophobicContact CE2-CB 4.13Å; F22-V31 HydrophobicContact CE2-CG2 3.27Å; F22-V31 HydrophobicContact CG-CG2 4Å; F22-V31 HydrophobicContact CZ-CB 4.34Å; F22-V31 HydrophobicContact CZ-CG2 3.65Å; V31-L38 HydrophobicContact CG1-CD1 3.63Å; V31-L38 HydrophobicContact CG1-CG 4.1Å; V31-E39 CarbonylContact C-O 3.53Å; V31-E39 WeakPolarHBondContact CA-O 3.44Å; V31-V40 HydrophobicContact CG2-CG1 4.4Å; V31-V40 HydrophobicContact CG2-CG2 4.19Å; V31-L65 HydrophobicContact CB-CD2 4.47Å; V31-L65 HydrophobicContact CG1-CD2 4.01Å; V31-I78 HydrophobicContact CB-CD1 4.43Å; V31-I78 HydrophobicContact CG1-CD1 4.19Å; V31-I78 HydrophobicContact CG1-CG2 4.46Å; V31-I78 HydrophobicContact CG2-CD1 3.55Å; V31-I78 HydrophobicContact CG2-CG1 4.08Å
32V96.8Very high91.6Very high0 Ų028.3 Ų28.30%014%0.141CC..EExtended strand (participates in β ladder)trans-119141.3-178.2-57.60000110.8I14 C16 A17 V30 H34 E39 L41 F351I14-V32 HydrophobicContact CD1-CB 4.29Å; I14-V32 HydrophobicContact CD1-CG1 4.16Å; I14-V32 HydrophobicContact CG1-CB 4.35Å; I14-V32 HydrophobicContact CG2-CB 4.02Å; I14-V32 HydrophobicContact CG2-CG1 4.27Å; C16-V32 WeakPolarHBondContact O-CA 3.31Å; A17-V32 HydrophobicContact CB-CG1 3.9Å; V30-V32 HydrophobicContact CG1-CG1 3.82Å; V32-H34 WeakPolarHBondContact CG2-NE2 3.2Å; V32-E39 HydrophobicContact CG2-CB 3.73Å; V32-E39 HydrophobicContact CG2-CG 4.19Å; V32-E39 PolarHBondContact N-O 2.68Å; V32-E39 PolarHBondContact O-N 3.41Å; V32-L41 HydrophobicContact CG1-CD1 3.81Å; V32-L41 HydrophobicContact CG2-CD1 4.06Å; V32-L41 HydrophobicContact CG2-CG 4.3Å; V32-F351 HydrophobicContact CG1-CE1 3.99Å; V32-F351 HydrophobicContact CG1-CZ 4.36Å
33G96.1Very high91.4Very high0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-111.7115.1175.600000111.2Y15 C16 G35Y15-G33 PolarHBondContact N-O 2.69Å; C16-G33 PolarHBondContact O-N 2.78Å; G33-G35 VanDerWaalsContact C-N 3.27Å; G33-G35 PolarHBondContact O-N 3.05Å
34H94.2Very high91.2Very high12 Ų1230.6 Ų30.66%0.05615%0.152CC..  trans-90.218.1178.6-60.8-81.8000113.5P11 A13 I14 V32 H36 V37 E39P11-H34 HydrophobicContact CB-CB 4.02Å; P11-H34 HydrophobicContact CG-CB 3.73Å; A13-H34 VanDerWaalsContact O-CA 3.22Å; A13-H34 WeakPolarHBondContact O-CA 3.41Å; A13-H34 WeakPolarHBondContact O-CB 3.43Å; A13-H34 PolarHBondContact O-ND1 2.78Å; I14-H34 VanDerWaalsContact CG1-CE1 3.42Å; I14-H34 WeakPolarHBondContact CG1-CE1 3.45Å; V32-H34 WeakPolarHBondContact CG2-NE2 3.2Å; H34-H36 PolarHBondContact O-N 2.77Å; H34-V37 HydrophobicContact CB-CB 4.19Å; H34-V37 PolarHBondContact N-O 2.94Å; H34-E39 IonicContact NE2-OE2 2.97Å
35G92Very high91Very high11 Ų1133.6 Ų33.611%0.11317%0.165CC..SBendtrans97.9-74.8-173.500000110.3G33 I62G33-G35 VanDerWaalsContact C-N 3.27Å; G33-G35 PolarHBondContact O-N 3.05Å; G35-I62 WeakPolarHBondContact O-CB 3.48Å; G35-I62 VanDerWaalsContact O-CG1 3.31Å; G35-I62 WeakPolarHBondContact O-CG1 3.41Å; G35-I62 PolarHBondContact O-N 2.84Å
36H94.2Very high90.8Very high10 Ų1032.3 Ų32.35%0.04617%0.174CC..SBendtrans-110.11.4-179.969.7-82.7000114.8H34 V58 G60 E1077H34-H36 PolarHBondContact O-N 2.77Å; H36-V58 WeakPolarHBondContact O-CG2 3.4Å; H36-V58 PolarHBondContact O-N 3.1Å; H36-G60 VanDerWaalsContact CA-O 3.25Å; H36-G60 WeakPolarHBondContact CA-O 3.26Å; H36-G60 WeakPolarHBondContact CB-O 3.43Å; H36-E1077 VanDerWaalsContact CE1-CD 3.46Å; H36-E1077 IonicContact CE1-OE1 3.71Å; H36-E1077 PolarHBondContact CE1-OE1 3.29Å; H36-E1077 IonicContact ND1-OE1 3.18Å; H36-E1077 PolarHBondContact ND1-OE1 3.02Å
37V94.9Very high90.8Very high1 Ų126.5 Ų26.51%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-120.2136.3174.3-176.50000109.4P11 H34 S55 I56 E57P11-V37 HydrophobicContact CG-CB 4.21Å; P11-V37 HydrophobicContact CG-CG2 3.67Å; H34-V37 HydrophobicContact CB-CB 4.19Å; H34-V37 PolarHBondContact N-O 2.94Å; V37-S55 WeakPolarHBondContact CG1-OG 3.22Å; V37-I56 WeakPolarHBondContact CA-O 3.45Å; V37-E57 HydrophobicContact CG2-CG 4.23Å
38L95.3Very high90.9Very high0 Ų022.9 Ų22.90%014%0.14CC..EExtended strand (participates in β ladder)trans-111.4128.1172.5-170.870.3000108.8V31 I56 V58 I62 L65 L90 L99 L1133V31-L38 HydrophobicContact CG1-CD1 3.63Å; V31-L38 HydrophobicContact CG1-CG 4.1Å; L38-I56 PolarHBondContact N-O 2.83Å; L38-I56 PolarHBondContact O-N 2.68Å; L38-V58 HydrophobicContact CB-CG1 3.79Å; L38-I62 HydrophobicContact CB-CD1 4.13Å; L38-I62 HydrophobicContact CD1-CD1 4.07Å; L38-L65 HydrophobicContact CD1-CD1 4.17Å; L38-L65 HydrophobicContact CD1-CD2 4.34Å; L38-L90 HydrophobicContact CD2-CD1 3.59Å; L38-L99 HydrophobicContact CD2-CD1 3.75Å; L38-L99 HydrophobicContact CG-CD1 4.26Å; L38-L1133 HydrophobicContact CD2-CD2 4.29Å
39E94.3Very high90.8Very high27 Ų2726.6 Ų26.613%0.12615%0.153CC..EExtended strand (participates in β ladder)trans-131.7141.4-173.5177.8164.9164.500111.6V31 V32 H34 L41 T52 I54 S55V31-E39 CarbonylContact C-O 3.53Å; V31-E39 WeakPolarHBondContact CA-O 3.44Å; V32-E39 HydrophobicContact CG2-CB 3.73Å; V32-E39 HydrophobicContact CG2-CG 4.19Å; V32-E39 PolarHBondContact N-O 2.68Å; V32-E39 PolarHBondContact O-N 3.41Å; H34-E39 IonicContact NE2-OE2 2.97Å; E39-L41 HydrophobicContact CG-CD2 3.81Å; E39-L41 HydrophobicContact CG-CG 4.38Å; E39-L41 WeakPolarHBondContact OE1-CD2 3.42Å; E39-T52 HydrophobicContact CG-CG2 3.78Å; E39-T52 VanDerWaalsContact OE1-CB 3.32Å; E39-T52 WeakPolarHBondContact OE1-CB 3.46Å; E39-T52 WeakPolarHBondContact OE1-CG2 3.45Å; E39-T52 PolarHBondContact OE1-OG1 3.43Å; E39-I54 CarbonylContact C-O 3.59Å; E39-I54 VanDerWaalsContact CA-O 3.3Å; E39-I54 WeakPolarHBondContact CA-O 3.36Å; E39-I54 WeakPolarHBondContact CG-O 3.49Å; E39-S55 PolarHBondContact OE2-OG 3.2Å
40V94.6Very high90.6Very high0 Ų027.4 Ų27.40%016%0.157CC..EExtended strand (participates in β ladder)trans-112.3120.1176.8-171.70000108.8E29 V31 L53 I54 Y92 L99E29-V40 HydrophobicContact CB-CG1 4.25Å; V31-V40 HydrophobicContact CG2-CG1 4.4Å; V31-V40 HydrophobicContact CG2-CG2 4.19Å; V40-L53 HydrophobicContact CG1-CD1 4.33Å; V40-L53 WeakPolarHBondContact O-CB 3.4Å; V40-L53 PolarHBondContact O-N 3.04Å; V40-I54 HydrophobicContact CB-CG2 3.79Å; V40-I54 HydrophobicContact CG2-CG2 3.62Å; V40-I54 PolarHBondContact N-O 2.92Å; V40-Y92 HydrophobicContact CG2-CD2 4.41Å; V40-L99 HydrophobicContact CG2-CD1 4.28Å; V40-L99 HydrophobicContact CG2-CD2 4.15Å; V40-L99 HydrophobicContact CG2-CG 4.47Å
41L93.2Very high90.1Very high6 Ų630.6 Ų30.63%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-109.2147.2-178.9-53.1175.6000110.5E29 V30 V32 E39 M50 V51 F351E29-L41 CarbonylContact C-O 3.59Å; E29-L41 WeakPolarHBondContact CA-O 2.97Å; E29-L41 WeakPolarHBondContact CB-O 3.14Å; V30-L41 HydrophobicContact CB-CB 4.38Å; V30-L41 PolarHBondContact N-O 3.26Å; V30-L41 PolarHBondContact O-N 3.09Å; V32-L41 HydrophobicContact CG1-CD1 3.81Å; V32-L41 HydrophobicContact CG2-CD1 4.06Å; V32-L41 HydrophobicContact CG2-CG 4.3Å; E39-L41 HydrophobicContact CG-CD2 3.81Å; E39-L41 HydrophobicContact CG-CG 4.38Å; E39-L41 WeakPolarHBondContact OE1-CD2 3.42Å; L41-M50 HydrophobicContact CB-CE 3.45Å; L41-M50 VanDerWaalsContact CB-CE 3.45Å; L41-M50 HydrophobicContact CD1-CE 3.78Å; L41-M50 HydrophobicContact CG-CE 4.25Å; L41-V51 WeakPolarHBondContact CA-O 3.47Å; L41-F351 HydrophobicContact CD1-CZ 4.22Å
42R91.3Very high89.7Confident62 Ų6233.4 Ų33.423%0.23419%0.194CC..EExtended strand (participates in β ladder)trans-130.4137.5172.8175.6-179-70.7167.3-2110.1E29 D44 V51 L53E29-R42 HydrophobicContact CG-CB 4.23Å; E29-R42 HydrophobicContact CG-CG 4.49Å; E29-R42 IonicContact OE1-CZ 3.33Å; E29-R42 IonicContact OE1-NE 3.11Å; E29-R42 PolarHBondContact OE1-NE 3.33Å; E29-R42 IonicContact OE1-NH2 2.7Å; E29-R42 PolarHBondContact OE1-NH2 2.85Å; R42-D44 PolarHBondContact O-N 3.42Å; R42-V51 PolarHBondContact N-O 2.78Å; R42-V51 PolarHBondContact O-N 2.81Å; R42-L53 HydrophobicContact CB-CD1 3.9Å; R42-L53 HydrophobicContact CB-CD2 4.22Å; R42-L53 HydrophobicContact CB-CG 4.03Å
43V90Very high89.2Confident9 Ų934.8 Ų34.86%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-75.9119.6166.7-1770000108.1V45 M50 L345 F349 L361V43-V45 PolarHBondContact O-N 2.75Å; V43-M50 HydrophobicContact CB-SD 4.15Å; V43-M50 HydrophobicContact CG2-SD 3.3Å; V43-M50 WeakPolarHBondContact CG2-SD 3.48Å; V43-L345 HydrophobicContact CG2-CD1 3.42Å; V43-L345 VanDerWaalsContact CG2-CD1 3.42Å; V43-F349 HydrophobicContact CG1-CD2 4.36Å; V43-F349 HydrophobicContact CG1-CE1 4.41Å; V43-F349 HydrophobicContact CG1-CE2 4.21Å; V43-F349 HydrophobicContact CG1-CZ 4.23Å; V43-L361 HydrophobicContact CG1-CD2 4.04Å; V43-L361 HydrophobicContact CG2-CD1 4.08Å; V43-L361 HydrophobicContact CG2-CD2 4.04Å
44D85.4Confident88.9Confident60 Ų6036 Ų3632%0.32121%0.207SC..  trans-77.9113.1162.717615000108.8R42 A46 T47 G48 R49 V51R42-D44 PolarHBondContact O-N 3.42Å; D44-A46 PolarHBondContact O-N 2.76Å; D44-A46 PolarHBondContact OD1-N 2.81Å; D44-A46 VanDerWaalsContact OD1-N 3.08Å; D44-T47 WeakPolarHBondContact CB-OG1 3.37Å; D44-T47 VanDerWaalsContact CG-OG1 3.26Å; D44-T47 WeakPolarHBondContact OD2-CB 3.22Å; D44-T47 VanDerWaalsContact OD2-CG2 3.31Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.49Å; D44-T47 PolarHBondContact OD2-OG1 2.77Å; D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.15Å; D44-G48 PolarHBondContact O-N 2.94Å; D44-R49 PolarHBondContact N-O 2.85Å; D44-V51 HydrophobicContact CB-CG2 4.34Å
45V81.4Confident88.7Confident87 Ų8736.8 Ų36.853%0.52721%0.214SC..THydrogen-bonded Turntrans-68.2-25.8-175.6-1760000111.7V43V43-V45 PolarHBondContact O-N 2.75Å
46A79.7Confident88.7Confident94 Ų9437.3 Ų37.378%0.77721%0.214SC*.THydrogen-bonded Turntrans-75-43.6-179.100000111.8D44D44-A46 PolarHBondContact O-N 2.76Å; D44-A46 PolarHBondContact OD1-N 2.81Å; D44-A46 VanDerWaalsContact OD1-N 3.08Å
47T80.9Confident88.7Confident80 Ų8037.4 Ų37.449%0.49122%0.215SC..THydrogen-bonded Turntrans-95.4-15.6-178.259.70000113.3D44 R49D44-T47 WeakPolarHBondContact CB-OG1 3.37Å; D44-T47 VanDerWaalsContact CG-OG1 3.26Å; D44-T47 WeakPolarHBondContact OD2-CB 3.22Å; D44-T47 VanDerWaalsContact OD2-CG2 3.31Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.49Å; D44-T47 PolarHBondContact OD2-OG1 2.77Å; T47-R49 PolarHBondContact O-N 2.82Å; T47-R49 PolarHBondContact OG1-N 2.89Å
48G82Confident88.7Confident8 Ų837.4 Ų37.48%0.08221%0.214CC..  trans70.76.4-171.400000113.8D44 L361 V403D44-G48 VanDerWaalsContact O-CA 3.23Å; D44-G48 WeakPolarHBondContact O-CA 3.15Å; D44-G48 PolarHBondContact O-N 2.94Å; G48-L361 WeakPolarHBondContact O-CD2 3.35Å; G48-V403 WeakPolarHBondContact O-CG1 3.44Å
49R85.4Confident88.7Confident91 Ų9137.4 Ų37.434%0.34322%0.215SC..  trans-91.2149.8-174.7-63.9-175.8-180-174.61.3111.9D44 T47 E747D44-R49 PolarHBondContact N-O 2.85Å; T47-R49 PolarHBondContact O-N 2.82Å; T47-R49 PolarHBondContact OG1-N 2.89Å; R49-E747 IonicContact CZ-OE2 3.1Å; R49-E747 VanDerWaalsContact CZ-OE2 3.25Å; R49-E747 IonicContact NH1-OE2 3.47Å; R49-E747 PolarHBondContact NH1-OE2 2.84Å; R49-E747 IonicContact NH2-OE1 3.28Å; R49-E747 IonicContact NH2-OE2 3.55Å; R49-E747 PolarHBondContact NH2-OE2 3.25Å
50M88Confident88.7Confident16 Ų1636.1 Ų36.18%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-84.7122.8169.3-73.2-68.3-87.100109.5V30 L41 V43 F351 L361 H404 I406V30-M50 HydrophobicContact CB-CE 4.29Å; V30-M50 HydrophobicContact CG2-CE 4.17Å; L41-M50 HydrophobicContact CB-CE 3.45Å; L41-M50 VanDerWaalsContact CB-CE 3.45Å; L41-M50 HydrophobicContact CD1-CE 3.78Å; L41-M50 HydrophobicContact CG-CE 4.25Å; V43-M50 HydrophobicContact CB-SD 4.15Å; V43-M50 HydrophobicContact CG2-SD 3.3Å; V43-M50 WeakPolarHBondContact CG2-SD 3.48Å; M50-F351 HydrophobicContact CE-CD2 4.03Å; M50-F351 HydrophobicContact CE-CE2 4.22Å; M50-F351 HydrophobicContact CE-CG 4.48Å; M50-L361 HydrophobicContact CG-CB 4.24Å; M50-L361 HydrophobicContact CG-CD1 4.36Å; M50-L361 HydrophobicContact CG-CD2 3.94Å; M50-L361 HydrophobicContact CG-CG 4.41Å; M50-L361 HydrophobicContact SD-CD1 4.23Å; M50-L361 HydrophobicContact SD-CD2 4.29Å; M50-H404 PolarHBondContact N-ND1 3.46Å; M50-H404 VanDerWaalsContact N-ND1 3.14Å; M50-I406 HydrophobicContact CB-CD1 3.89Å; M50-I406 HydrophobicContact CB-CG1 4.47Å; M50-I406 HydrophobicContact CG-CD1 4.16Å
51V86.5Confident88.8Confident69 Ų6938 Ų3842%0.41822%0.218SC..EExtended strand (participates in β ladder)trans-110.9129.9177.9-177.60000109.5L41 R42 D44 L53L41-V51 WeakPolarHBondContact CA-O 3.47Å; R42-V51 PolarHBondContact N-O 2.78Å; R42-V51 PolarHBondContact O-N 2.81Å; D44-V51 HydrophobicContact CB-CG2 4.34Å; V51-L53 PolarHBondContact O-N 2.78Å
52T87.4Confident89Confident59 Ų5938.2 Ų38.236%0.36222%0.219SC..EExtended strand (participates in β ladder)trans-74118.1170.8-57.70000110.1E39E39-T52 HydrophobicContact CG-CG2 3.78Å; E39-T52 VanDerWaalsContact OE1-CB 3.32Å; E39-T52 WeakPolarHBondContact OE1-CB 3.46Å; E39-T52 WeakPolarHBondContact OE1-CG2 3.45Å; E39-T52 PolarHBondContact OE1-OG1 3.43Å
53L87.6Confident89.2Confident29 Ų2937.2 Ų37.215%0.15222%0.215CC..EExtended strand (participates in β ladder)trans-84-47.7175.9-60.8-178.7000111.4E29 V40 R42 V51 Y92 N97E29-L53 HydrophobicContact CG-CD1 4.4Å; V40-L53 HydrophobicContact CG1-CD1 4.33Å; V40-L53 WeakPolarHBondContact O-CB 3.4Å; V40-L53 PolarHBondContact O-N 3.04Å; R42-L53 HydrophobicContact CB-CD1 3.9Å; R42-L53 HydrophobicContact CB-CD2 4.22Å; R42-L53 HydrophobicContact CB-CG 4.03Å; V51-L53 PolarHBondContact O-N 2.78Å; L53-Y92 HydrophobicContact CD1-CE1 4.14Å; L53-N97 PolarHBondContact O-ND2 3.31Å; L53-N97 PolarHBondContact O-OD1 2.88Å
54I89.3Confident89.5Confident24 Ų2437.4 Ų37.412%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-150.5142.9179.8-178.6151.7000110.9E39 V40 I56 Y92 N97E39-I54 CarbonylContact C-O 3.59Å; E39-I54 VanDerWaalsContact CA-O 3.3Å; E39-I54 WeakPolarHBondContact CA-O 3.36Å; E39-I54 WeakPolarHBondContact CG-O 3.49Å; V40-I54 HydrophobicContact CB-CG2 3.79Å; V40-I54 HydrophobicContact CG2-CG2 3.62Å; V40-I54 PolarHBondContact N-O 2.92Å; I54-I56 HydrophobicContact CD1-CD1 3.44Å; I54-I56 VanDerWaalsContact CD1-CD1 3.44Å; I54-I56 HydrophobicContact CD1-CG1 3.83Å; I54-I56 HydrophobicContact CG1-CD1 3.78Å; I54-I56 HydrophobicContact CG1-CG1 3.76Å; I54-Y92 HydrophobicContact CG2-CD2 4.28Å; I54-Y92 HydrophobicContact CG2-CE2 3.77Å; I54-N97 WeakPolarHBondContact CD1-O 3.04Å
55S90.5Very high90Very high30 Ų3035.4 Ų35.421%0.2121%0.206CC..EExtended strand (participates in β ladder)trans-135.6110.1176.3176.90000109.3K10 V37 E39K10-S55 PolarHBondContact NZ-O 3.1Å; K10-S55 VanDerWaalsContact NZ-O 3.15Å; K10-S55 PolarHBondContact NZ-OG 3.11Å; K10-S55 VanDerWaalsContact NZ-OG 3.08Å; V37-S55 WeakPolarHBondContact CG1-OG 3.22Å; E39-S55 PolarHBondContact OE2-OG 3.2Å
56I91.6Very high90.6Very high22 Ų2232.9 Ų32.911%0.11319%0.19CC..EExtended strand (participates in β ladder)trans-117.2135.6-175.5-69.6161.1000110.4V37 L38 I54 L99 L1133V37-I56 WeakPolarHBondContact CA-O 3.45Å; L38-I56 PolarHBondContact N-O 2.83Å; L38-I56 PolarHBondContact O-N 2.68Å; I54-I56 HydrophobicContact CD1-CD1 3.44Å; I54-I56 VanDerWaalsContact CD1-CD1 3.44Å; I54-I56 HydrophobicContact CD1-CG1 3.83Å; I54-I56 HydrophobicContact CG1-CD1 3.78Å; I54-I56 HydrophobicContact CG1-CG1 3.76Å; I56-L99 HydrophobicContact CD1-CB 3.96Å; I56-L99 HydrophobicContact CD1-CD1 4.04Å; I56-L99 HydrophobicContact CD1-CG 4.23Å; I56-L1133 HydrophobicContact CG2-CD2 4.4Å
57E93.3Very high91.4Very high12 Ų1229.9 Ų29.96%0.05616%0.163CC..EExtended strand (participates in β ladder)trans-77.4127.4168.3-57.4-158.217500111V37 F59 D1155V37-E57 HydrophobicContact CG2-CG 4.23Å; E57-F59 HydrophobicContact CB-CD1 4.45Å; E57-F59 HydrophobicContact CB-CE1 4.02Å; E57-F59 HydrophobicContact CB-CE2 4.27Å; E57-F59 HydrophobicContact CB-CZ 3.92Å; E57-F59 WeakPolarHBondContact OE2-CE1 3.25Å; E57-D1155 VanDerWaalsContact OE2-CB 3.26Å; E57-D1155 WeakPolarHBondContact OE2-CB 3.23Å
58V94.3Very high92Very high0 Ų026.4 Ų26.40%014%0.141CC..  trans-96.5-3.9-177.8-56.10000113.4H36 L38 G60 I62 P1132 L1133 C1134H36-V58 WeakPolarHBondContact O-CG2 3.4Å; H36-V58 PolarHBondContact O-N 3.1Å; L38-V58 HydrophobicContact CB-CG1 3.79Å; V58-G60 PolarHBondContact O-N 2.76Å; V58-I62 HydrophobicContact CG2-CD1 3.96Å; V58-I62 HydrophobicContact CG2-CG1 3.9Å; V58-P1132 VanDerWaalsContact O-CB 3.3Å; V58-P1132 WeakPolarHBondContact O-CB 3.49Å; V58-L1133 HydrophobicContact CG1-CB 4.21Å; V58-L1133 HydrophobicContact CG1-CD2 4.31Å; V58-C1134 HydrophobicContact CB-CB 4.32Å
59F96Very high92.6Very high1 Ų129.9 Ų29.90%0.00415%0.152CC..SBendtrans43.747.1-177.2-52.5-69.2000113.4E57 P1132 R1136 H1138 Y1141 D1155 L1156E57-F59 HydrophobicContact CB-CD1 4.45Å; E57-F59 HydrophobicContact CB-CE1 4.02Å; E57-F59 HydrophobicContact CB-CE2 4.27Å; E57-F59 HydrophobicContact CB-CZ 3.92Å; E57-F59 WeakPolarHBondContact OE2-CE1 3.25Å; F59-P1132 HydrophobicContact CB-CB 4.05Å; F59-P1132 HydrophobicContact CB-CG 3.95Å; F59-P1132 HydrophobicContact CD2-CB 4.17Å; F59-P1132 HydrophobicContact CD2-CG 4Å; F59-P1132 HydrophobicContact CG-CG 4.43Å; F59-R1136 WeakPolarHBondContact O-CB 3.39Å; F59-R1136 VanDerWaalsContact O-CG 3.32Å; F59-R1136 WeakPolarHBondContact O-CG 3.37Å; F59-H1138 AromaticContact CD1-CD2 3.94Å; F59-H1138 AromaticContact CG-CD2 3.84Å; F59-Y1141 HydrophobicContact CB-CD1 4.03Å; F59-Y1141 HydrophobicContact CB-CE1 4.36Å; F59-Y1141 WeakPolarHBondContact O-CB 3.29Å; F59-Y1141 WeakPolarHBondContact O-CD1 3.38Å; F59-Y1141 WeakPolarHBondContact O-CD2 3.5Å; F59-D1155 HydrophobicContact CE1-CB 4.3Å; F59-L1156 HydrophobicContact CD2-CD1 4.21Å; F59-L1156 HydrophobicContact CE1-CB 4.3Å; F59-L1156 HydrophobicContact CE2-CB 4.25Å; F59-L1156 HydrophobicContact CE2-CD1 3.52Å; F59-L1156 HydrophobicContact CE2-CG 4.48Å; F59-L1156 HydrophobicContact CZ-CB 3.79Å; F59-L1156 HydrophobicContact CZ-CD1 3.96Å; F59-L1156 HydrophobicContact CZ-CG 4.5Å
60G95.2Very high92.9Very high0 Ų026.2 Ų26.20%014%0.139CC..SBendtrans-165.7173.3-177.300000109.9H36 V58 D83H36-G60 VanDerWaalsContact CA-O 3.25Å; H36-G60 WeakPolarHBondContact CA-O 3.26Å; H36-G60 WeakPolarHBondContact CB-O 3.43Å; V58-G60 PolarHBondContact O-N 2.76Å; G60-D83 WeakPolarHBondContact CA-OD1 3.41Å
61I96.6Very high92.9Very high40 Ų4028.5 Ų28.521%0.20515%0.153CC..  trans-101.8110.9179-56.3173.8000108.2R63 S82 D83 F1074 Y1141 F1144I61-R63 HydrophobicContact CG2-CG 4.26Å; I61-R63 PolarHBondContact O-N 2.78Å; I61-S82 CarbonylContact O-C 3.6Å; I61-S82 WeakPolarHBondContact O-CA 3.3Å; I61-S82 WeakPolarHBondContact O-CB 3.35Å; I61-D83 HydrophobicContact CB-CB 4.17Å; I61-D83 PolarHBondContact N-OD1 2.8Å; I61-D83 PolarHBondContact O-N 2.93Å; I61-D83 VanDerWaalsContact O-N 3.1Å; I61-F1074 HydrophobicContact CD1-CZ 4.45Å; I61-Y1141 HydrophobicContact CG1-CE2 4.31Å; I61-F1144 HydrophobicContact CD1-CE2 4.15Å; I61-F1144 HydrophobicContact CD1-CZ 4.47Å
62I96.5Very high92.9Very high9 Ų928.9 Ų28.95%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-71.1119170.8-58.7163.4000107.5G35 L38 V58 V80G35-I62 WeakPolarHBondContact O-CB 3.48Å; G35-I62 VanDerWaalsContact O-CG1 3.31Å; G35-I62 WeakPolarHBondContact O-CG1 3.41Å; G35-I62 PolarHBondContact O-N 2.84Å; L38-I62 HydrophobicContact CB-CD1 4.13Å; L38-I62 HydrophobicContact CD1-CD1 4.07Å; V58-I62 HydrophobicContact CG2-CD1 3.96Å; V58-I62 HydrophobicContact CG2-CG1 3.9Å; I62-V80 HydrophobicContact CG1-CG1 4.31Å; I62-V80 HydrophobicContact CG2-CG1 4.13Å
63R95.7Very high92.9Very high41 Ų4127.9 Ų27.916%0.15517%0.167CC..EExtended strand (participates in β ladder)trans-108.2-32.7-177.3-65.3173.870.2-176.18.4112I61 G81 G118 Q119I61-R63 HydrophobicContact CG2-CG 4.26Å; I61-R63 PolarHBondContact O-N 2.78Å; R63-G81 PolarHBondContact N-O 2.88Å; R63-G118 VanDerWaalsContact CB-O 3.23Å; R63-G118 WeakPolarHBondContact CB-O 3.39Å; R63-Q119 VanDerWaalsContact CZ-OE1 3.31Å
64S95.7Very high93Very high13 Ų1330.2 Ų30.29%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-147.9145.517851.10000110.6G81 G118 L121S64-G81 PolarHBondContact N-O 2.84Å; S64-G81 VanDerWaalsContact N-O 3.1Å; S64-G81 PolarHBondContact O-N 3.27Å; S64-G81 WeakPolarHBondContact OG-CA 3.35Å; S64-G118 PolarHBondContact OG-O 2.79Å; S64-L121 WeakPolarHBondContact OG-CB 3.48Å
65L96Very high93.1Very high18 Ų1830.5 Ų30.59%0.09419%0.186CC..EExtended strand (participates in β ladder)trans-141129.2-177.1-172.469.4000107.9C16 V18 V31 L38 I78 V80C16-L65 HydrophobicContact CB-CB 4.12Å; V18-L65 HydrophobicContact CG1-CB 4.43Å; V18-L65 HydrophobicContact CG1-CD2 4.34Å; V18-L65 HydrophobicContact CG1-CG 4.14Å; V18-L65 WeakPolarHBondContact CG1-O 3.37Å; V18-L65 HydrophobicContact CG2-CD2 3.81Å; V18-L65 HydrophobicContact CG2-CG 3.88Å; V31-L65 HydrophobicContact CB-CD2 4.47Å; V31-L65 HydrophobicContact CG1-CD2 4.01Å; L38-L65 HydrophobicContact CD1-CD1 4.17Å; L38-L65 HydrophobicContact CD1-CD2 4.34Å; L65-I78 HydrophobicContact CD1-CG2 3.5Å; L65-I78 VanDerWaalsContact CD1-CG2 3.5Å; L65-I78 HydrophobicContact CG-CG2 4.5Å; L65-V80 HydrophobicContact CD1-CG2 3.87Å
66I95.6Very high93.3Very high35 Ų3529.7 Ų29.718%0.17918%0.179CC..EExtended strand (participates in β ladder)trans-143.4147.3174.8-158.4164.3000110V79 L121 V123I66-V79 HydrophobicContact CG2-CB 3.91Å; I66-V79 HydrophobicContact CG2-CG2 4.24Å; I66-V79 PolarHBondContact N-O 3.04Å; I66-V79 VanDerWaalsContact N-O 3.14Å; I66-V79 PolarHBondContact O-N 3.23Å; I66-L121 HydrophobicContact CB-CD2 4.2Å; I66-L121 HydrophobicContact CB-CG 4.43Å; I66-L121 HydrophobicContact CG2-CD2 3.54Å; I66-L121 HydrophobicContact CG2-CG 3.69Å; I66-V123 HydrophobicContact CD1-CB 4.15Å; I66-V123 HydrophobicContact CD1-CG1 3.63Å; I66-V123 HydrophobicContact CG1-CG1 4.07Å
67S95.2Very high93.5Very high30 Ų3029.5 Ų29.521%0.2118%0.177CC..EExtended strand (participates in β ladder)trans-99.8150171.359.20000110.5G19 Y77G19-S67 PolarHBondContact O-OG 3.43Å; S67-Y77 VanDerWaalsContact CA-O 3.31Å; S67-Y77 WeakPolarHBondContact CA-O 3.35Å
68F94.6Very high93.7Very high8 Ų829 Ų294%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-147.7155.4171.680.1-76.7000112.2L70 D76 Y77 V79 I89 V123 I130 M144 L152F68-L70 HydrophobicContact CE2-CD2 3.96Å; F68-L70 HydrophobicContact CE2-CG 4.24Å; F68-D76 WeakPolarHBondContact O-CA 3.18Å; F68-Y77 HydrophobicContact CE1-CG 4.26Å; F68-Y77 HydrophobicContact CE2-CD2 4.34Å; F68-Y77 HydrophobicContact CZ-CD2 4.09Å; F68-Y77 HydrophobicContact CZ-CG 4.15Å; F68-Y77 PolarHBondContact N-O 3.29Å; F68-Y77 PolarHBondContact O-N 2.92Å; F68-V79 HydrophobicContact CD1-CG2 3.34Å; F68-V79 HydrophobicContact CE1-CG2 3.37Å; F68-I89 HydrophobicContact CE1-CG2 4Å; F68-I89 HydrophobicContact CZ-CG2 4.32Å; F68-V123 HydrophobicContact CB-CB 4.36Å; F68-V123 HydrophobicContact CB-CG1 4.21Å; F68-V123 HydrophobicContact CB-CG2 3.55Å; F68-V123 HydrophobicContact CG-CG2 4.13Å; F68-I130 HydrophobicContact CD1-CD1 4.26Å; F68-I130 HydrophobicContact CE1-CD1 4Å; F68-I130 HydrophobicContact CZ-CD1 4.24Å; F68-M144 HydrophobicContact CE1-CE 4.31Å; F68-M144 HydrophobicContact CE2-CB 4.44Å; F68-M144 HydrophobicContact CE2-CE 3.94Å; F68-M144 HydrophobicContact CE2-CG 4.38Å; F68-M144 HydrophobicContact CZ-CE 3.46Å; F68-M144 VanDerWaalsContact CZ-CE 3.46Å; F68-L152 HydrophobicContact CE2-CD1 4.35Å; F68-L152 HydrophobicContact CZ-CD1 4.25Å; F68-L152 HydrophobicContact CZ-CD2 3.9Å
69R93.3Very high93.8Very high81 Ų8129 Ų2931%0.30618%0.175SC..EExtended strand (participates in β ladder)trans-119.4127179.6-165.3174-69.6-147.8-7.8109.9S73 D76 G127R69-S73 WeakPolarHBondContact CD-O 3.47Å; R69-D76 WeakPolarHBondContact CB-OD1 3.33Å; R69-D76 WeakPolarHBondContact CG-OD1 3.48Å; R69-D76 IonicContact CZ-OD1 2.86Å; R69-D76 IonicContact CZ-OD2 3.38Å; R69-D76 IonicContact NE-OD1 3.89Å; R69-D76 PolarHBondContact NE-OD1 2.99Å; R69-D76 IonicContact NE-OD2 3.02Å; R69-D76 VanDerWaalsContact NH2-CG 3.33Å; R69-D76 IonicContact NH2-OD1 2.68Å; R69-D76 PolarHBondContact NH2-OD1 3.01Å; R69-D76 VanDerWaalsContact NH2-OD1 3.15Å; R69-D76 IonicContact NH2-OD2 2.77Å; R69-D76 PolarHBondContact NH2-OD2 3.03Å; R69-G127 WeakPolarHBondContact O-CA 3.25Å
70L91.8Very high93.9Very high14 Ų1428.9 Ų28.97%0.07317%0.174CC..  trans-65.8145.4168.3-69175.9000110.5F68 G72 S73 Y77 M144 R146 L152F68-L70 HydrophobicContact CE2-CD2 3.96Å; F68-L70 HydrophobicContact CE2-CG 4.24Å; L70-G72 PolarHBondContact O-N 2.94Å; L70-G72 VanDerWaalsContact O-N 3.12Å; L70-S73 WeakPolarHBondContact O-CB 3.05Å; L70-S73 PolarHBondContact O-N 2.9Å; L70-Y77 HydrophobicContact CD1-CE2 3.87Å; L70-Y77 HydrophobicContact CG-CD2 4.49Å; L70-Y77 HydrophobicContact CG-CE2 4.16Å; L70-M144 HydrophobicContact CD2-CB 4.33Å; L70-R146 HydrophobicContact CD1-CB 4.49Å; L70-L152 HydrophobicContact CD1-CB 4.24Å; L70-L152 HydrophobicContact CD1-CD1 3.78Å; L70-L152 HydrophobicContact CD2-CD1 3.78Å; L70-L152 HydrophobicContact CG-CD1 4.16Å
71T88.8Confident93.9Very high63 Ų6328.9 Ų28.939%0.38717%0.174SC..THydrogen-bonded Turntrans-56.2119.9177-65.50000110.8R126 Y177T71-R126 PolarHBondContact OG1-O 2.88Å; T71-Y177 HydrophobicContact CG2-CE1 4.38Å
72G85.2Confident93.9Very high78 Ų7827.1 Ų27.180%0.80417%0.165SC*.THydrogen-bonded Turntrans83.70.6-178.800000115.9L70L70-G72 PolarHBondContact O-N 2.94Å; L70-G72 VanDerWaalsContact O-N 3.12Å
73S88.9Confident93.9Very high37 Ų3726.7 Ų26.726%0.25916%0.163SC..  trans-80.6151.1171.9-177.80000111.5R69 L70 K75R69-S73 WeakPolarHBondContact CD-O 3.47Å; L70-S73 WeakPolarHBondContact O-CB 3.05Å; L70-S73 PolarHBondContact O-N 2.9Å; S73-K75 PolarHBondContact OG-N 2.64Å; S73-K75 VanDerWaalsContact OG-N 3.07Å; S73-K75 PolarHBondContact OG-O 3.07Å; S73-K75 VanDerWaalsContact OG-O 3.07Å
74S88.6Confident93.9Very high78 Ų7825 Ų2555%0.54516%0.158SC..SBendtrans-91.1-18.4167.557.80000113.4
75K92.4Very high93.9Very high31 Ų3124.5 Ų24.514%0.13515%0.154CC..SBendtrans-104.3137.4-172.7-167.6175.4-170.4175.70111.4F22 S73 E91 Y92F22-K75 WeakPolarHBondContact O-CE 3.43Å; S73-K75 PolarHBondContact OG-N 2.64Å; S73-K75 VanDerWaalsContact OG-N 3.07Å; S73-K75 PolarHBondContact OG-O 3.07Å; S73-K75 VanDerWaalsContact OG-O 3.07Å; K75-E91 HydrophobicContact CD-CG 4.17Å; K75-E91 WeakPolarHBondContact CE-OE1 3.47Å; K75-E91 IonicContact NZ-OE1 3.7Å; K75-E91 PolarHBondContact NZ-OE1 3.32Å; K75-Y92 WeakPolarHBondContact CE-O 3.28Å; K75-Y92 PolarHBondContact NZ-O 2.71Å
76D94.6Very high93.9Very high12 Ų1227.4 Ų27.46%0.06416%0.164CC..EExtended strand (participates in β ladder)trans-92.5137.7174.4-64.6-34.4000110.8G20 S21 F22 F68 R69G20-D76 WeakPolarHBondContact CA-OD2 3.45Å; S21-D76 PolarHBondContact N-OD2 2.98Å; S21-D76 PolarHBondContact O-N 2.87Å; F22-D76 HydrophobicContact CD1-CB 3.97Å; F22-D76 HydrophobicContact CE1-CB 4.01Å; F68-D76 WeakPolarHBondContact O-CA 3.18Å; R69-D76 WeakPolarHBondContact CB-OD1 3.33Å; R69-D76 WeakPolarHBondContact CG-OD1 3.48Å; R69-D76 IonicContact CZ-OD1 2.86Å; R69-D76 IonicContact CZ-OD2 3.38Å; R69-D76 IonicContact NE-OD1 3.89Å; R69-D76 PolarHBondContact NE-OD1 2.99Å; R69-D76 IonicContact NE-OD2 3.02Å; R69-D76 VanDerWaalsContact NH2-CG 3.33Å; R69-D76 IonicContact NH2-OD1 2.68Å; R69-D76 PolarHBondContact NH2-OD1 3.01Å; R69-D76 VanDerWaalsContact NH2-OD1 3.15Å; R69-D76 IonicContact NH2-OD2 2.77Å; R69-D76 PolarHBondContact NH2-OD2 3.03Å
77Y95.9Very high93.9Very high19 Ų1925.8 Ų25.88%0.07516%0.156CC..EExtended strand (participates in β ladder)trans-96.2156.4171.6-67.1-82000110S67 F68 L70 I89 E91 V102 L152S67-Y77 VanDerWaalsContact CA-O 3.31Å; S67-Y77 WeakPolarHBondContact CA-O 3.35Å; F68-Y77 HydrophobicContact CE1-CG 4.26Å; F68-Y77 HydrophobicContact CE2-CD2 4.34Å; F68-Y77 HydrophobicContact CZ-CD2 4.09Å; F68-Y77 HydrophobicContact CZ-CG 4.15Å; F68-Y77 PolarHBondContact N-O 3.29Å; F68-Y77 PolarHBondContact O-N 2.92Å; L70-Y77 HydrophobicContact CD1-CE2 3.87Å; L70-Y77 HydrophobicContact CG-CD2 4.49Å; L70-Y77 HydrophobicContact CG-CE2 4.16Å; Y77-I89 HydrophobicContact CD1-CG2 4.32Å; Y77-I89 HydrophobicContact CG-CG2 4.42Å; Y77-E91 HydrophobicContact CD1-CB 4.07Å; Y77-E91 HydrophobicContact CD1-CG 4.46Å; Y77-E91 HydrophobicContact CE1-CB 4.05Å; Y77-E91 HydrophobicContact CE1-CG 4.15Å; Y77-V102 HydrophobicContact CD1-CG2 4.45Å; Y77-V102 HydrophobicContact CE1-CG2 4.29Å; Y77-L152 HydrophobicContact CD1-CD2 4.33Å; Y77-L152 HydrophobicContact CE1-CD2 4.44Å; Y77-L152 HydrophobicContact CG-CD2 4.37Å
78I97Very high94Very high0 Ų024.3 Ų24.30%015%0.146CC..EExtended strand (participates in β ladder)trans-110.3126.3179.3-56.7158.8000108.1F22 V31 L65 V80 I89 L90 L99F22-I78 HydrophobicContact CD1-CD1 3.95Å; F22-I78 HydrophobicContact CD1-CG1 3.54Å; F22-I78 HydrophobicContact CE1-CD1 4.16Å; F22-I78 HydrophobicContact CE1-CG1 3.38Å; F22-I78 HydrophobicContact CG-CD1 4.43Å; F22-I78 HydrophobicContact CG-CG1 4.45Å; F22-I78 HydrophobicContact CZ-CG1 4.19Å; V31-I78 HydrophobicContact CB-CD1 4.43Å; V31-I78 HydrophobicContact CG1-CD1 4.19Å; V31-I78 HydrophobicContact CG1-CG2 4.46Å; V31-I78 HydrophobicContact CG2-CD1 3.55Å; V31-I78 HydrophobicContact CG2-CG1 4.08Å; L65-I78 HydrophobicContact CD1-CG2 3.5Å; L65-I78 VanDerWaalsContact CD1-CG2 3.5Å; L65-I78 HydrophobicContact CG-CG2 4.5Å; I78-V80 HydrophobicContact CG2-CG2 4.06Å; I78-I89 CarbonylContact O-C 3.58Å; I78-I89 WeakPolarHBondContact O-CA 2.83Å; I78-L90 HydrophobicContact CB-CB 4.22Å; I78-L90 PolarHBondContact N-O 3.02Å; I78-L90 PolarHBondContact O-N 2.85Å; I78-L99 HydrophobicContact CD1-CD2 4.01Å
79V97Very high94.1Very high0 Ų024 Ų240%014%0.144CC..EExtended strand (participates in β ladder)trans-108.2129175-169.20000108.3I66 F68 I87 C88 I89 L121 I130I66-V79 HydrophobicContact CG2-CB 3.91Å; I66-V79 HydrophobicContact CG2-CG2 4.24Å; I66-V79 PolarHBondContact N-O 3.04Å; I66-V79 VanDerWaalsContact N-O 3.14Å; I66-V79 PolarHBondContact O-N 3.23Å; F68-V79 HydrophobicContact CD1-CG2 3.34Å; F68-V79 HydrophobicContact CE1-CG2 3.37Å; V79-I87 HydrophobicContact CG1-CD1 3.77Å; V79-I87 HydrophobicContact CG1-CG1 3.85Å; V79-C88 WeakPolarHBondContact CA-O 3.44Å; V79-I89 HydrophobicContact CG1-CG1 4.39Å; V79-I89 HydrophobicContact CG2-CG1 4.35Å; V79-L121 HydrophobicContact CB-CD2 3.96Å; V79-L121 HydrophobicContact CG1-CD1 4.08Å; V79-L121 HydrophobicContact CG1-CD2 3.79Å; V79-L121 HydrophobicContact CG1-CG 4.42Å; V79-L121 WeakPolarHBondContact O-CD2 3.29Å; V79-I130 HydrophobicContact CG1-CD1 4.34Å; V79-I130 HydrophobicContact CG1-CG2 4.38Å; V79-I130 HydrophobicContact CG2-CD1 3.64Å
80V97.1Very high94.2Very high0 Ų020.1 Ų20.10%013%0.13CC..EExtended strand (participates in β ladder)trans-117.4119.8-177.3-169.30000110.1I62 L65 I78 C88 L90I62-V80 HydrophobicContact CG1-CG1 4.31Å; I62-V80 HydrophobicContact CG2-CG1 4.13Å; L65-V80 HydrophobicContact CD1-CG2 3.87Å; I78-V80 HydrophobicContact CG2-CG2 4.06Å; V80-C88 PolarHBondContact N-O 3.39Å; V80-C88 PolarHBondContact O-N 3.09Å; V80-L90 HydrophobicContact CG2-CD1 3.75Å; V80-L90 HydrophobicContact CG2-CG 4.26Å
81G96.1Very high94.4Very high0 Ų022 Ų220%014%0.138CC..EExtended strand (participates in β ladder)trans-93.6117.8164.600000109.8R63 S64R63-G81 PolarHBondContact N-O 2.88Å; S64-G81 PolarHBondContact N-O 2.84Å; S64-G81 VanDerWaalsContact N-O 3.1Å; S64-G81 PolarHBondContact O-N 3.27Å; S64-G81 WeakPolarHBondContact OG-CA 3.35Å
82S95.9Very high94.7Very high2 Ų219.3 Ų19.31%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-124.3-175.5-177710000112.8I61 S84 C1134I61-S82 CarbonylContact O-C 3.6Å; I61-S82 WeakPolarHBondContact O-CA 3.3Å; I61-S82 WeakPolarHBondContact O-CB 3.35Å; S82-S84 PolarHBondContact O-N 2.87Å; S82-S84 WeakPolarHBondContact OG-CB 3.31Å; S82-S84 PolarHBondContact OG-N 2.91Å; S82-S84 PolarHBondContact OG-OG 2.82Å; S82-C1134 PolarHBondContact OG-O 2.87Å
83D96.3Very high95Very high0 Ų017.3 Ų17.30%09%0.092CC..THydrogen-bonded Turntrans-78.86171.376.7-49.3000113.7G60 I61 G85 S110 G111 R1136 F1144G60-D83 WeakPolarHBondContact CA-OD1 3.41Å; I61-D83 HydrophobicContact CB-CB 4.17Å; I61-D83 PolarHBondContact N-OD1 2.8Å; I61-D83 PolarHBondContact O-N 2.93Å; I61-D83 VanDerWaalsContact O-N 3.1Å; D83-G85 PolarHBondContact O-N 2.86Å; D83-S110 CarbonylContact O-C 3.48Å; D83-S110 WeakPolarHBondContact O-CA 3.16Å; D83-G111 PolarHBondContact O-N 2.98Å; D83-R1136 IonicContact OD1-NE 3.59Å; D83-R1136 WeakPolarHBondContact OD2-CD 3.08Å; D83-R1136 IonicContact OD2-CZ 2.87Å; D83-R1136 IonicContact OD2-NE 3.65Å; D83-R1136 PolarHBondContact OD2-NE 2.48Å; D83-R1136 IonicContact OD2-NH2 3.66Å; D83-F1144 WeakPolarHBondContact OD2-CE2 3.22Å
84S95.9Very high94.8Very high7 Ų717.6 Ų17.65%0.04910%0.101CC..THydrogen-bonded Turntrans-77.5-18.6-175.167.90000114.8S82 R86 C1134 G1135S82-S84 PolarHBondContact O-N 2.87Å; S82-S84 WeakPolarHBondContact OG-CB 3.31Å; S82-S84 PolarHBondContact OG-N 2.91Å; S82-S84 PolarHBondContact OG-OG 2.82Å; S84-R86 WeakPolarHBondContact OG-CB 3.5Å; S84-R86 PolarHBondContact OG-N 2.94Å; S84-R86 VanDerWaalsContact OG-N 3.14Å; S84-R86 PolarHBondContact OG-O 2.98Å; S84-C1134 WeakPolarHBondContact CB-O 3.13Å; S84-C1134 PolarHBondContact OG-O 2.92Å; S84-G1135 WeakPolarHBondContact CB-O 3.38Å
85G95.3Very high94.7Very high1 Ų118.5 Ų18.51%0.0111%0.113CC..SBendtrans74.118.3-166.100000112.9D83 F107 G108D83-G85 PolarHBondContact O-N 2.86Å; G85-F107 PolarHBondContact O-N 3.25Å; G85-G108 PolarHBondContact O-N 2.89Å
86R96.4Very high94.3Very high79 Ų7925.4 Ų25.430%0.29814%0.138SC..EExtended strand (participates in β ladder)trans-129.2144.8177.9-50.7-177168.9127.4-0.8110S84 Q104 E105 T106 G1135S84-R86 WeakPolarHBondContact OG-CB 3.5Å; S84-R86 PolarHBondContact OG-N 2.94Å; S84-R86 VanDerWaalsContact OG-N 3.14Å; S84-R86 PolarHBondContact OG-O 2.98Å; R86-Q104 HydrophobicContact CB-CG 4.22Å; R86-E105 CarbonylContact C-O 3.53Å; R86-E105 WeakPolarHBondContact CA-O 3.34Å; R86-E105 WeakPolarHBondContact CB-O 3.37Å; R86-T106 HydrophobicContact CG-CG2 4.23Å; R86-T106 PolarHBondContact NE-OG1 3.12Å; R86-T106 VanDerWaalsContact NE-OG1 3.14Å; R86-G1135 WeakPolarHBondContact CD-O 3.05Å; R86-G1135 PolarHBondContact NH1-O 3.22Å
87I96.2Very high93.8Very high1 Ų128 Ų281%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-95.5130.2170.1-179.9164.6000107.5V79 Q104 E105 F107 L121 I130 I132 Y142V79-I87 HydrophobicContact CG1-CD1 3.77Å; V79-I87 HydrophobicContact CG1-CG1 3.85Å; I87-Q104 WeakPolarHBondContact O-CA 3.29Å; I87-E105 HydrophobicContact CG2-CB 3.76Å; I87-E105 PolarHBondContact N-O 3.18Å; I87-E105 PolarHBondContact O-N 3.12Å; I87-F107 HydrophobicContact CB-CD1 4.29Å; I87-F107 HydrophobicContact CB-CE1 3.9Å; I87-F107 HydrophobicContact CG2-CD1 4.14Å; I87-F107 HydrophobicContact CG2-CE1 4.27Å; I87-F107 VanDerWaalsContact N-CE1 3.26Å; I87-L121 HydrophobicContact CD1-CD1 4.35Å; I87-I130 HydrophobicContact CD1-CG2 4.08Å; I87-I132 HydrophobicContact CB-CD1 4.35Å; I87-I132 HydrophobicContact CD1-CD1 4.39Å; I87-Y142 HydrophobicContact CD1-CD2 4.15Å; I87-Y142 HydrophobicContact CD1-CE2 4.28Å; I87-Y142 HydrophobicContact CG2-CD2 4.46Å; I87-Y142 HydrophobicContact CG2-CE1 4.34Å; I87-Y142 HydrophobicContact CG2-CE2 3.82Å
88C96.6Very high93.4Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-117.3135.8179.9-63.80000110.1V79 V80 L90 H103 C1134V79-C88 WeakPolarHBondContact CA-O 3.44Å; V80-C88 PolarHBondContact N-O 3.39Å; V80-C88 PolarHBondContact O-N 3.09Å; C88-L90 HydrophobicContact CB-CD2 4.45Å; C88-H103 WeakPolarHBondContact CA-O 3.08Å; C88-C1134 PolarHBondContact SG-O 2.9Å
89I96.9Very high93.2Very high1 Ų129.2 Ų29.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-116123.3173.3-56.2170.2000108.1F68 Y77 I78 V79 V102 H103 I130 M144 L152 I154F68-I89 HydrophobicContact CE1-CG2 4Å; F68-I89 HydrophobicContact CZ-CG2 4.32Å; Y77-I89 HydrophobicContact CD1-CG2 4.32Å; Y77-I89 HydrophobicContact CG-CG2 4.42Å; I78-I89 CarbonylContact O-C 3.58Å; I78-I89 WeakPolarHBondContact O-CA 2.83Å; V79-I89 HydrophobicContact CG1-CG1 4.39Å; V79-I89 HydrophobicContact CG2-CG1 4.35Å; I89-V102 PolarHBondContact O-N 3.36Å; I89-H103 HydrophobicContact CB-CB 4.26Å; I89-H103 HydrophobicContact CD1-CB 4.22Å; I89-H103 HydrophobicContact CG1-CB 4.49Å; I89-H103 PolarHBondContact N-O 2.95Å; I89-H103 PolarHBondContact O-N 3.06Å; I89-I130 HydrophobicContact CD1-CD1 4.4Å; I89-M144 HydrophobicContact CD1-CE 3.24Å; I89-M144 HydrophobicContact CD1-SD 4.26Å; I89-L152 HydrophobicContact CB-CD2 4.49Å; I89-L152 HydrophobicContact CD1-CD2 4.12Å; I89-L152 HydrophobicContact CG2-CD2 3.71Å; I89-I154 HydrophobicContact CD1-CD1 3.98Å
90L96.4Very high93Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-113.8149.8-174.7-46.8176.8000110.5L38 I78 V80 C88 I100 R101 L1133L38-L90 HydrophobicContact CD2-CD1 3.59Å; I78-L90 HydrophobicContact CB-CB 4.22Å; I78-L90 PolarHBondContact N-O 3.02Å; I78-L90 PolarHBondContact O-N 2.85Å; V80-L90 HydrophobicContact CG2-CD1 3.75Å; V80-L90 HydrophobicContact CG2-CG 4.26Å; C88-L90 HydrophobicContact CB-CD2 4.45Å; L90-I100 CarbonylContact C-O 3.47Å; L90-I100 VanDerWaalsContact CA-O 3.31Å; L90-I100 WeakPolarHBondContact CA-O 3.49Å; L90-R101 HydrophobicContact CD2-CB 4Å; L90-R101 HydrophobicContact CD2-CG 4.17Å; L90-L1133 HydrophobicContact CD1-CD2 3.76Å; L90-L1133 HydrophobicContact CD1-CG 4.01Å; L90-L1133 HydrophobicContact CD2-CD1 3.83Å; L90-L1133 HydrophobicContact CD2-CD2 4.44Å; L90-L1133 HydrophobicContact CD2-CG 3.87Å
91E95.1Very high92.9Very high53 Ų5336.7 Ų36.725%0.24820%0.196CC..EExtended strand (participates in β ladder)trans-126.3131173.4180178.9170.700108.8K75 Y77 I100 V102K75-E91 HydrophobicContact CD-CG 4.17Å; K75-E91 WeakPolarHBondContact CE-OE1 3.47Å; K75-E91 IonicContact NZ-OE1 3.7Å; K75-E91 PolarHBondContact NZ-OE1 3.32Å; Y77-E91 HydrophobicContact CD1-CB 4.07Å; Y77-E91 HydrophobicContact CD1-CG 4.46Å; Y77-E91 HydrophobicContact CE1-CB 4.05Å; Y77-E91 HydrophobicContact CE1-CG 4.15Å; E91-I100 PolarHBondContact N-O 2.92Å; E91-I100 PolarHBondContact O-N 3.37Å; E91-V102 HydrophobicContact CB-CG2 3.46Å; E91-V102 VanDerWaalsContact CB-CG2 3.46Å
92Y94.7Very high92.8Very high6 Ų638.8 Ų38.82%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-85.5119.6174.9177.8-119.1000110.5F22 V40 L53 I54 K75 N97 L99F22-Y92 HydrophobicContact CB-CD1 4.38Å; V40-Y92 HydrophobicContact CG2-CD2 4.41Å; L53-Y92 HydrophobicContact CD1-CE1 4.14Å; I54-Y92 HydrophobicContact CG2-CD2 4.28Å; I54-Y92 HydrophobicContact CG2-CE2 3.77Å; K75-Y92 WeakPolarHBondContact CE-O 3.28Å; K75-Y92 PolarHBondContact NZ-O 2.71Å; Y92-N97 PolarHBondContact OH-OD1 2.76Å; Y92-L99 HydrophobicContact CD2-CD2 4.03Å; Y92-L99 HydrophobicContact CD2-CG 4.46Å; Y92-L99 HydrophobicContact CG-CD2 4.43Å
93D91.1Very high92.8Very high37 Ų3740.9 Ų40.920%0.19822%0.218CC..EExtended strand (participates in β ladder)trans-98.3105.9172.9-177.22000109.8A95 R96 N97 A98 I100D93-A95 VanDerWaalsContact C-N 3.27Å; D93-A95 PolarHBondContact O-N 2.86Å; D93-A95 PolarHBondContact OD1-N 3.18Å; D93-R96 WeakPolarHBondContact OD2-CD 3.32Å; D93-R96 WeakPolarHBondContact OD2-CG 3.45Å; D93-R96 IonicContact OD2-NE 2.8Å; D93-N97 VanDerWaalsContact O-CA 3.23Å; D93-N97 WeakPolarHBondContact O-CA 2.87Å; D93-N97 PolarHBondContact O-N 3.16Å; D93-A98 PolarHBondContact N-O 3.4Å; D93-A98 PolarHBondContact O-N 3.31Å; D93-I100 HydrophobicContact CB-CD1 3.74Å; D93-I100 HydrophobicContact CB-CG1 4.34Å
94G86.2Confident92.7Very high43 Ų4343.7 Ų43.744%0.44323%0.232SC..THydrogen-bonded Turntrans-68.9-19.8-179.900000114.4
95A85.9Confident92.7Very high97 Ų9746.8 Ų46.880%0.80225%0.245SC*.THydrogen-bonded Turntrans-78.8-40.6179.800000112D93 N97D93-A95 VanDerWaalsContact C-N 3.27Å; D93-A95 PolarHBondContact O-N 2.86Å; D93-A95 PolarHBondContact OD1-N 3.18Å; A95-N97 VanDerWaalsContact C-N 3.32Å
96R83.1Confident92.7Very high176 Ų17650.6 Ų50.666%0.66427%0.269SS*.THydrogen-bonded Turntrans-87.3-8.1174.2-63.6178.9-177.7-172.1-2.8112.9D93 A98D93-R96 WeakPolarHBondContact OD2-CD 3.32Å; D93-R96 WeakPolarHBondContact OD2-CG 3.45Å; D93-R96 IonicContact OD2-NE 2.8Å; R96-A98 VanDerWaalsContact C-N 3.32Å; R96-A98 HydrophobicContact CB-CB 4.08Å; R96-A98 PolarHBondContact O-N 2.94Å
97N85.4Confident92.7Very high65 Ų6548.7 Ų48.735%0.34826%0.263SS..THydrogen-bonded Turntrans44.656.5-165.9-167.429.8000111.2L53 I54 Y92 D93 A95L53-N97 PolarHBondContact O-ND2 3.31Å; L53-N97 PolarHBondContact O-OD1 2.88Å; I54-N97 WeakPolarHBondContact CD1-O 3.04Å; Y92-N97 PolarHBondContact OH-OD1 2.76Å; D93-N97 VanDerWaalsContact O-CA 3.23Å; D93-N97 WeakPolarHBondContact O-CA 2.87Å; D93-N97 PolarHBondContact O-N 3.16Å; A95-N97 VanDerWaalsContact C-N 3.32Å
98A88Confident92.6Very high31 Ų3150 Ų5026%0.25628%0.276SS..EExtended strand (participates in β ladder)trans-138.3147.9-173.800000112.1D93 R96D93-A98 PolarHBondContact N-O 3.4Å; D93-A98 PolarHBondContact O-N 3.31Å; R96-A98 VanDerWaalsContact C-N 3.32Å; R96-A98 HydrophobicContact CB-CB 4.08Å; R96-A98 PolarHBondContact O-N 2.94Å
99L92Very high92.6Very high14 Ų1456.9 Ų56.97%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-91.4113.8170.3-73170.9000109.8L38 V40 I56 I78 Y92 L1133L38-L99 HydrophobicContact CD2-CD1 3.75Å; L38-L99 HydrophobicContact CG-CD1 4.26Å; V40-L99 HydrophobicContact CG2-CD1 4.28Å; V40-L99 HydrophobicContact CG2-CD2 4.15Å; V40-L99 HydrophobicContact CG2-CG 4.47Å; I56-L99 HydrophobicContact CD1-CB 3.96Å; I56-L99 HydrophobicContact CD1-CD1 4.04Å; I56-L99 HydrophobicContact CD1-CG 4.23Å; I78-L99 HydrophobicContact CD1-CD2 4.01Å; Y92-L99 HydrophobicContact CD2-CD2 4.03Å; Y92-L99 HydrophobicContact CD2-CG 4.46Å; Y92-L99 HydrophobicContact CG-CD2 4.43Å; L99-L1133 HydrophobicContact CB-CD2 3.99Å; L99-L1133 HydrophobicContact CD1-CD2 4.12Å
100I92.7Very high92.5Very high66 Ų6658.5 Ų58.534%0.33832%0.317SS..EExtended strand (participates in β ladder)trans-96.7126.7-178-57.2177.4000108.9L90 E91 D93 V102L90-I100 CarbonylContact C-O 3.47Å; L90-I100 VanDerWaalsContact CA-O 3.31Å; L90-I100 WeakPolarHBondContact CA-O 3.49Å; E91-I100 PolarHBondContact N-O 2.92Å; E91-I100 PolarHBondContact O-N 3.37Å; D93-I100 HydrophobicContact CB-CD1 3.74Å; D93-I100 HydrophobicContact CB-CG1 4.34Å; I100-V102 PolarHBondContact O-N 3.46Å
101R94.5Very high92.4Very high91 Ų9159.1 Ų59.134%0.34332%0.323SS..EExtended strand (participates in β ladder)trans-76.5106.6171.5-174.7174.669.1-155.6-8.8109.8L90 Q104 P1132 L1133L90-R101 HydrophobicContact CD2-CB 4Å; L90-R101 HydrophobicContact CD2-CG 4.17Å; R101-Q104 HydrophobicContact CG-CB 4.45Å; R101-P1132 PolarHBondContact NH1-O 2.84Å; R101-L1133 HydrophobicContact CB-CD1 4.27Å; R101-L1133 WeakPolarHBondContact CD-O 3.34Å
102V94.1Very high92.4Very high45 Ų4559.5 Ų59.527%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-79.7-48.5-179.5-173.80000110.9Y77 I89 E91 I100 L152Y77-V102 HydrophobicContact CD1-CG2 4.45Å; Y77-V102 HydrophobicContact CE1-CG2 4.29Å; I89-V102 PolarHBondContact O-N 3.36Å; E91-V102 HydrophobicContact CB-CG2 3.46Å; E91-V102 VanDerWaalsContact CB-CG2 3.46Å; I100-V102 PolarHBondContact O-N 3.46Å; V102-L152 HydrophobicContact CG1-CB 4.43Å; V102-L152 HydrophobicContact CG1-CD2 4.49Å
103H95.3Very high92.4Very high45 Ų4564.6 Ų64.621%0.20835%0.35CS..EExtended strand (participates in β ladder)trans-135.3149179-78.4-67.3000111.6C88 I89 L152 I154C88-H103 WeakPolarHBondContact CA-O 3.08Å; I89-H103 HydrophobicContact CB-CB 4.26Å; I89-H103 HydrophobicContact CD1-CB 4.22Å; I89-H103 HydrophobicContact CG1-CB 4.49Å; I89-H103 PolarHBondContact N-O 2.95Å; I89-H103 PolarHBondContact O-N 3.06Å; H103-L152 PolarHBondContact NE2-O 2.94Å; H103-I154 HydrophobicContact CB-CG2 4.3Å
104Q95Very high92.7Very high60 Ų6070.5 Ų70.528%0.2837%0.37SS..EExtended strand (participates in β ladder)trans-146.4103.4173.9-177.1-174.9-81.600109.8R86 I87 R101R86-Q104 HydrophobicContact CB-CG 4.22Å; I87-Q104 WeakPolarHBondContact O-CA 3.29Å; R101-Q104 HydrophobicContact CG-CB 4.45Å
105E95.8Very high93.1Very high71 Ų7170.9 Ų70.933%0.33236%0.363SS..EExtended strand (participates in β ladder)trans-104.9134.7178.8-69.4-60.1144.300111R86 I87 Y142 I154R86-E105 CarbonylContact C-O 3.53Å; R86-E105 WeakPolarHBondContact CA-O 3.34Å; R86-E105 WeakPolarHBondContact CB-O 3.37Å; I87-E105 HydrophobicContact CG2-CB 3.76Å; I87-E105 PolarHBondContact N-O 3.18Å; I87-E105 PolarHBondContact O-N 3.12Å; E105-Y142 HydrophobicContact CB-CE1 4.01Å; E105-Y142 HydrophobicContact CG-CE1 4.28Å; E105-I154 HydrophobicContact CG-CD1 3.94Å; E105-I154 HydrophobicContact CG-CG1 4.42Å; E105-I154 HydrophobicContact CG-CG2 3.81Å
106T96.4Very high93.7Very high82 Ų8266.9 Ų66.950%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-95.8124.9179-57.40000109.8R86R86-T106 HydrophobicContact CG-CG2 4.23Å; R86-T106 PolarHBondContact NE-OG1 3.12Å; R86-T106 VanDerWaalsContact NE-OG1 3.14Å
107F94.7Very high94.3Very high39 Ų3958.5 Ų58.517%0.17130%0.298CS..  trans-123.2-16.9179.857.3-105.5000113.9G85 I87 V116 P117 I132 L140G85-F107 PolarHBondContact O-N 3.25Å; I87-F107 HydrophobicContact CB-CD1 4.29Å; I87-F107 HydrophobicContact CB-CE1 3.9Å; I87-F107 HydrophobicContact CG2-CD1 4.14Å; I87-F107 HydrophobicContact CG2-CE1 4.27Å; I87-F107 VanDerWaalsContact N-CE1 3.26Å; F107-V116 HydrophobicContact CD2-CG1 4.28Å; F107-V116 HydrophobicContact CE2-CG1 3.77Å; F107-P117 HydrophobicContact CD2-CB 4.32Å; F107-P117 HydrophobicContact CD2-CG 4.28Å; F107-P117 HydrophobicContact CE2-CB 3.83Å; F107-P117 HydrophobicContact CE2-CG 4.22Å; F107-P117 VanDerWaalsContact CE2-O 3.22Å; F107-P117 WeakPolarHBondContact CE2-O 3.46Å; F107-P117 HydrophobicContact CZ-CB 4.23Å; F107-P117 WeakPolarHBondContact CZ-O 3.4Å; F107-I132 HydrophobicContact CE1-CD1 3.72Å; F107-I132 HydrophobicContact CZ-CD1 3.76Å; F107-L140 HydrophobicContact CB-CD1 3.48Å; F107-L140 VanDerWaalsContact CB-CD1 3.48Å; F107-L140 HydrophobicContact CD2-CD1 4.16Å; F107-L140 HydrophobicContact CG-CD1 3.88Å
108G94.4Very high94.7Very high27 Ų2755.4 Ų55.428%0.27828%0.281SS..SBendtrans-158.8-172-17200000114.5G85G85-G108 PolarHBondContact O-N 2.89Å
109K95.9Very high95.1Very high146 Ų14657.4 Ų57.464%0.63529%0.285SS*.  trans-86.9153.6175.7-64.3-176.2179.4-178.80110.6
110S95.4Very high95.3Very high35 Ų3559.4 Ų59.425%0.24529%0.292CS..SBendtrans-70.2159.9175.557.10000113.9D83 R113 R1136D83-S110 CarbonylContact O-C 3.48Å; D83-S110 WeakPolarHBondContact O-CA 3.16Å; S110-R113 PolarHBondContact O-NE 3.41Å; S110-R113 PolarHBondContact O-NH2 2.87Å; S110-R1136 PolarHBondContact OG-NH1 3.34Å
111G93.9Very high95.5Very high12 Ų1257.2 Ų57.212%0.12428%0.281CS..SBendtrans105.4157.1-177.200000113.3D83 R113D83-G111 PolarHBondContact O-N 2.98Å; G111-R113 PolarHBondContact O-N 2.65Å
112C95.3Very high95.6Very high62 Ų6252.9 Ų52.942%0.41927%0.265SS..SBendtrans-73.174171.7-61.30000110.7
113R96.3Very high95.6Very high112 Ų11251.6 Ų51.642%0.42326%0.257SS..  trans-89.7157.6-174.9-55.3-171.8-173.4-137.8-4.9112.4S110 G111 V116S110-R113 PolarHBondContact O-NE 3.41Å; S110-R113 PolarHBondContact O-NH2 2.87Å; G111-R113 PolarHBondContact O-N 2.65Å; R113-V116 HydrophobicContact CB-CB 4.03Å; R113-V116 HydrophobicContact CB-CG2 4.03Å; R113-V116 HydrophobicContact CG-CG2 4.37Å
114R95.8Very high95.6Very high161 Ų16149.6 Ų49.661%0.60825%0.248SC*.SBendtrans-64.9-41.5178-166.8175.478.4166.220.6113.6P135 E136R114-P135 WeakPolarHBondContact O-CD 3.26Å; R114-E136 WeakPolarHBondContact CD-OE2 3.41Å; R114-E136 HydrophobicContact CG-CB 4.07Å; R114-E136 WeakPolarHBondContact CG-OE2 3.42Å; R114-E136 IonicContact CZ-OE1 2.78Å; R114-E136 IonicContact CZ-OE2 3.51Å; R114-E136 IonicContact NE-OE1 2.89Å; R114-E136 IonicContact NE-OE2 3.56Å; R114-E136 PolarHBondContact NE-OE2 2.9Å; R114-E136 IonicContact NH1-OE2 3.07Å; R114-E136 IonicContact NH2-OE1 3.99Å; R114-E136 PolarHBondContact NH2-OE1 2.88Å; R114-E136 IonicContact NH2-OE2 2.84Å; R114-E136 PolarHBondContact NH2-OE2 3.03Å; R114-E136 VanDerWaalsContact NH2-OE2 3.16Å; R114-E136 PolarHBondContact O-N 2.88Å; R114-E136 VanDerWaalsContact O-N 3.08Å
115V96.4Very high95.5Very high51 Ų5149.6 Ų49.631%0.30925%0.253SS..SBendtrans-107.1-8.7-173.1-60.80000114.3A134 E136 Q138V115-A134 VanDerWaalsContact C-CB 3.43Å; V115-A134 WeakPolarHBondContact O-CB 3.4Å; V115-E136 WeakPolarHBondContact CA-O 3.16Å; V115-E136 HydrophobicContact CG1-CB 4.37Å; V115-Q138 VanDerWaalsContact O-CB 3.23Å; V115-Q138 WeakPolarHBondContact O-CB 3.45Å; V115-Q138 WeakPolarHBondContact O-CG 3.49Å; V115-Q138 PolarHBondContact O-OE1 2.85Å
116V96.7Very high95.3Very high13 Ų1348.5 Ų48.58%0.07925%0.246CC..SBendtrans-92129.4-179.8177.60000109.4F107 R113F107-V116 HydrophobicContact CD2-CG1 4.28Å; F107-V116 HydrophobicContact CE2-CG1 3.77Å; R113-V116 HydrophobicContact CB-CB 4.03Å; R113-V116 HydrophobicContact CB-CG2 4.03Å; R113-V116 HydrophobicContact CG-CG2 4.37Å
117P96.7Very high95.1Very high1 Ų144.7 Ų44.71%0.00622%0.223CC..SBendtrans-58.5153.8-179.2-26.334.9000114.1F107 I132 A134 Q138 L140F107-P117 HydrophobicContact CD2-CB 4.32Å; F107-P117 HydrophobicContact CD2-CG 4.28Å; F107-P117 HydrophobicContact CE2-CB 3.83Å; F107-P117 HydrophobicContact CE2-CG 4.22Å; F107-P117 VanDerWaalsContact CE2-O 3.22Å; F107-P117 WeakPolarHBondContact CE2-O 3.46Å; F107-P117 HydrophobicContact CZ-CB 4.23Å; F107-P117 WeakPolarHBondContact CZ-O 3.4Å; P117-I132 HydrophobicContact CB-CB 4.41Å; P117-I132 HydrophobicContact CB-CD1 4.27Å; P117-I132 HydrophobicContact CB-CG1 3.85Å; P117-I132 HydrophobicContact CB-CG2 4.05Å; P117-A134 HydrophobicContact CG-CB 4.44Å; P117-Q138 HydrophobicContact CG-CB 4Å; P117-L140 HydrophobicContact CG-CD1 4.11Å; P117-L140 HydrophobicContact CG-CG 4.26Å
118G93.7Very high95.1Very high0 Ų044.4 Ų44.40%022%0.22CC..  trans144-17.6177.800000114R63 S64 G133R63-G118 VanDerWaalsContact CB-O 3.23Å; R63-G118 WeakPolarHBondContact CB-O 3.39Å; S64-G118 PolarHBondContact OG-O 2.79Å; G118-G133 PolarHBondContact N-O 3.19Å; G118-G133 VanDerWaalsContact N-O 3.12Å
119Q96.3Very high95.2Very high72 Ų7243.1 Ų43.134%0.33621%0.207SC..SBendtrans-72.2-45.4177.2-171.359.437.300112R63 G133 P135R63-Q119 VanDerWaalsContact CZ-OE1 3.31Å; Q119-G133 PolarHBondContact N-O 3.13Å; Q119-P135 HydrophobicContact CB-CG 3.94Å; Q119-P135 HydrophobicContact CG-CG 4.15Å
120Y96.6Very high95.2Very high56 Ų5636.1 Ų36.122%0.2218%0.177CC..EExtended strand (participates in β ladder)trans-115.2141.7-177.1-53.1-67.7000109.4G133 C167 F168 M170Y120-G133 PolarHBondContact N-O 3.05Å; Y120-G133 PolarHBondContact O-N 3.36Å; Y120-C167 HydrophobicContact CD2-CB 4.3Å; Y120-C167 HydrophobicContact CE2-CB 3.96Å; Y120-C167 WeakPolarHBondContact CE2-O 3.44Å; Y120-C167 PolarHBondContact OH-O 2.87Å; Y120-F168 WeakPolarHBondContact CE1-O 3.31Å; Y120-F168 PolarHBondContact OH-O 2.84Å; Y120-M170 WeakPolarHBondContact O-CE 3.44Å
121L96Very high95.3Very high20 Ų2034.5 Ų34.511%0.10517%0.165CC..EExtended strand (participates in β ladder)trans-143.5131.1-179.8-170.764.8000108.2S64 I66 V79 I87 I130 I132S64-L121 WeakPolarHBondContact OG-CB 3.48Å; I66-L121 HydrophobicContact CB-CD2 4.2Å; I66-L121 HydrophobicContact CB-CG 4.43Å; I66-L121 HydrophobicContact CG2-CD2 3.54Å; I66-L121 HydrophobicContact CG2-CG 3.69Å; V79-L121 HydrophobicContact CB-CD2 3.96Å; V79-L121 HydrophobicContact CG1-CD1 4.08Å; V79-L121 HydrophobicContact CG1-CD2 3.79Å; V79-L121 HydrophobicContact CG1-CG 4.42Å; V79-L121 WeakPolarHBondContact O-CD2 3.29Å; I87-L121 HydrophobicContact CD1-CD1 4.35Å; L121-I130 HydrophobicContact CD1-CG2 3.76Å; L121-I132 HydrophobicContact CD1-CB 3.97Å; L121-I132 HydrophobicContact CD1-CD1 4.42Å; L121-I132 HydrophobicContact CD1-CG1 4.06Å
122S96.1Very high95.5Very high1 Ų133.9 Ų33.91%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-142153.6-18066.70000109.6I130 M131 M170 F182S122-I130 WeakPolarHBondContact O-CA 3.42Å; S122-M131 PolarHBondContact N-O 3.13Å; S122-M131 PolarHBondContact O-N 3.2Å; S122-M131 PolarHBondContact OG-O 3.25Å; S122-M170 WeakPolarHBondContact OG-CG 3.26Å; S122-F182 VanDerWaalsContact OG-CD1 3.27Å; S122-F182 WeakPolarHBondContact OG-CD1 3.17Å
123V95.8Very high95.5Very high18 Ų1831 Ų3111%0.10914%0.139CC..EExtended strand (participates in β ladder)trans-133.6142.8-177.271.40000110I66 F68 P125 A129 I130I66-V123 HydrophobicContact CD1-CB 4.15Å; I66-V123 HydrophobicContact CD1-CG1 3.63Å; I66-V123 HydrophobicContact CG1-CG1 4.07Å; F68-V123 HydrophobicContact CB-CB 4.36Å; F68-V123 HydrophobicContact CB-CG1 4.21Å; F68-V123 HydrophobicContact CB-CG2 3.55Å; F68-V123 HydrophobicContact CG-CG2 4.13Å; V123-P125 WeakPolarHBondContact O-CD 3.45Å; V123-A129 WeakPolarHBondContact CG2-O 3.45Å; V123-I130 HydrophobicContact CB-CG1 4.46Å; V123-I130 HydrophobicContact CG2-CG1 3.76Å
124D95.3Very high95.6Very high2 Ų225.7 Ų25.71%0.01112%0.12CC..  trans-59.4126.6165.1169.172.4000108.6R126 G127 R128 A129 P180D124-R126 PolarHBondContact O-N 2.94Å; D124-R126 WeakPolarHBondContact OD2-CA 3.24Å; D124-R126 WeakPolarHBondContact OD2-CB 3.47Å; D124-R126 PolarHBondContact OD2-N 2.72Å; D124-G127 WeakPolarHBondContact O-CA 3.42Å; D124-G127 PolarHBondContact O-N 3.17Å; D124-G127 PolarHBondContact OD2-N 2.93Å; D124-R128 IonicContact OD1-CZ 2.68Å; D124-R128 IonicContact OD1-NE 3Å; D124-R128 IonicContact OD1-NH2 3.38Å; D124-R128 PolarHBondContact OD1-NH2 2.86Å; D124-R128 WeakPolarHBondContact OD2-CB 3.02Å; D124-R128 WeakPolarHBondContact OD2-CG 3.36Å; D124-R128 IonicContact OD2-CZ 3.8Å; D124-R128 PolarHBondContact OD2-N 3.22Å; D124-R128 VanDerWaalsContact OD2-N 3.09Å; D124-R128 IonicContact OD2-NE 3.41Å; D124-R128 PolarHBondContact OD2-NE 3.3Å; D124-R128 IonicContact OD2-NH2 2.83Å; D124-A129 HydrophobicContact CB-CB 4.41Å; D124-A129 WeakPolarHBondContact CB-O 3.49Å; D124-A129 PolarHBondContact N-O 2.97Å; D124-P180 HydrophobicContact CB-CB 4.19Å
125P92.2Very high95.6Very high60 Ų6019.6 Ų19.639%0.3910%0.101SC..THydrogen-bonded Turntrans-58.5-18.1-177.3-31.740.6000115.4V123 D174V123-P125 WeakPolarHBondContact O-CD 3.45Å; P125-D174 HydrophobicContact CB-CB 4.05Å; P125-D174 HydrophobicContact CG-CB 3.8Å
126R91.2Very high95.5Very high49 Ų4918.1 Ų18.119%0.1859%0.091CC..THydrogen-bonded Turntrans-91.73.7172.6-53.9-58.1172.5162.7-8.9113.9T71 D124 R128 D174 G176 D246T71-R126 PolarHBondContact OG1-O 2.88Å; D124-R126 PolarHBondContact O-N 2.94Å; D124-R126 WeakPolarHBondContact OD2-CA 3.24Å; D124-R126 WeakPolarHBondContact OD2-CB 3.47Å; D124-R126 PolarHBondContact OD2-N 2.72Å; R126-R128 HydrophobicContact CB-CG 4.19Å; R126-D174 IonicContact NE-OD1 2.68Å; R126-D174 PolarHBondContact NE-OD1 3.12Å; R126-D174 IonicContact NH2-OD1 3.06Å; R126-D174 IonicContact NH2-OD2 3.74Å; R126-G176 WeakPolarHBondContact CG-O 3.44Å; R126-D246 IonicContact NH2-OD2 3.69Å; R126-D246 PolarHBondContact NH2-OD2 3.19Å; R126-D246 VanDerWaalsContact NH2-OD2 3.09Å
127G92.6Very high95.4Very high2 Ų221.4 Ų21.42%0.02110%0.104CC..SBendtrans71.525.8175.300000114.5R69 D124 M144R69-G127 WeakPolarHBondContact O-CA 3.25Å; D124-G127 WeakPolarHBondContact O-CA 3.42Å; D124-G127 PolarHBondContact O-N 3.17Å; D124-G127 PolarHBondContact OD2-N 2.93Å; G127-M144 WeakPolarHBondContact O-CB 3.47Å
128R94Very high95.4Very high32 Ų3223.7 Ų23.712%0.12112%0.115CC..SBendtrans-91.2-24.9-175.5-57.8172-65.61652.6113.7D124 R126 M144 G176 Y177 E178 P180D124-R128 IonicContact OD1-CZ 2.68Å; D124-R128 IonicContact OD1-NE 3Å; D124-R128 IonicContact OD1-NH2 3.38Å; D124-R128 PolarHBondContact OD1-NH2 2.86Å; D124-R128 WeakPolarHBondContact OD2-CB 3.02Å; D124-R128 WeakPolarHBondContact OD2-CG 3.36Å; D124-R128 IonicContact OD2-CZ 3.8Å; D124-R128 PolarHBondContact OD2-N 3.22Å; D124-R128 VanDerWaalsContact OD2-N 3.09Å; D124-R128 IonicContact OD2-NE 3.41Å; D124-R128 PolarHBondContact OD2-NE 3.3Å; D124-R128 IonicContact OD2-NH2 2.83Å; R126-R128 HydrophobicContact CB-CG 4.19Å; R128-M144 PolarHBondContact O-N 2.88Å; R128-G176 PolarHBondContact NH2-O 3.42Å; R128-Y177 VanDerWaalsContact NH1-C 3.29Å; R128-Y177 PolarHBondContact NH1-O 2.89Å; R128-E178 PolarHBondContact NH1-O 2.84Å; R128-E178 PolarHBondContact NH2-O 2.82Å; R128-P180 HydrophobicContact CB-CG 4.46Å
129A96.2Very high95.5Very high0 Ų023.9 Ų23.90%012%0.116CC..EExtended strand (participates in β ladder)trans-149.7147.6-179.100000111.6V123 D124 V141 Y142 P180 F182 L216V123-A129 WeakPolarHBondContact CG2-O 3.45Å; D124-A129 HydrophobicContact CB-CB 4.41Å; D124-A129 WeakPolarHBondContact CB-O 3.49Å; D124-A129 PolarHBondContact N-O 2.97Å; A129-V141 HydrophobicContact CB-CG1 4.21Å; A129-Y142 CarbonylContact C-O 3.58Å; A129-Y142 WeakPolarHBondContact CA-O 3.17Å; A129-P180 HydrophobicContact CB-CB 4.32Å; A129-P180 HydrophobicContact CB-CG 4.31Å; A129-F182 HydrophobicContact CB-CE2 4.25Å; A129-F182 HydrophobicContact CB-CZ 3.94Å; A129-L216 HydrophobicContact CB-CD2 3.43Å; A129-L216 VanDerWaalsContact CB-CD2 3.43Å
130I97.1Very high95.6Very high0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-122.2131.1175.4-63.8165000108F68 V79 I87 I89 L121 S122 V123 V141 Y142 M144F68-I130 HydrophobicContact CD1-CD1 4.26Å; F68-I130 HydrophobicContact CE1-CD1 4Å; F68-I130 HydrophobicContact CZ-CD1 4.24Å; V79-I130 HydrophobicContact CG1-CD1 4.34Å; V79-I130 HydrophobicContact CG1-CG2 4.38Å; V79-I130 HydrophobicContact CG2-CD1 3.64Å; I87-I130 HydrophobicContact CD1-CG2 4.08Å; I89-I130 HydrophobicContact CD1-CD1 4.4Å; L121-I130 HydrophobicContact CD1-CG2 3.76Å; S122-I130 WeakPolarHBondContact O-CA 3.42Å; V123-I130 HydrophobicContact CB-CG1 4.46Å; V123-I130 HydrophobicContact CG2-CG1 3.76Å; I130-V141 CarbonylContact O-C 3.45Å; I130-V141 WeakPolarHBondContact O-CA 3.35Å; I130-Y142 PolarHBondContact N-O 2.75Å; I130-Y142 PolarHBondContact O-N 2.49Å; I130-M144 HydrophobicContact CD1-CE 3.74Å; I130-M144 HydrophobicContact CD1-CG 3.73Å; I130-M144 HydrophobicContact CD1-SD 3.7Å; I130-M144 HydrophobicContact CG1-CG 3.89Å; I130-M144 HydrophobicContact CG1-SD 4.36Å
131M97.3Very high95.6Very high0 Ų018.2 Ų18.20%09%0.091CC..EExtended strand (participates in β ladder)trans-111.6126.8173.8-175.3174.5176.900110.1S122 K139 L140 V141 M170 F182 Y214S122-M131 PolarHBondContact N-O 3.13Å; S122-M131 PolarHBondContact O-N 3.2Å; S122-M131 PolarHBondContact OG-O 3.25Å; M131-K139 HydrophobicContact CE-CB 3.54Å; M131-K139 HydrophobicContact CE-CD 3.3Å; M131-K139 HydrophobicContact CE-CG 4.02Å; M131-L140 CarbonylContact C-O 3.5Å; M131-L140 WeakPolarHBondContact CA-O 3.5Å; M131-V141 HydrophobicContact CB-CG2 4.01Å; M131-V141 HydrophobicContact CG-CG2 3.76Å; M131-V141 HydrophobicContact SD-CG2 4.11Å; M131-M170 HydrophobicContact CB-SD 4.17Å; M131-M170 HydrophobicContact CE-SD 3.93Å; M131-M170 HydrophobicContact CG-CE 4.37Å; M131-M170 HydrophobicContact CG-SD 3.56Å; M131-M170 VanDerWaalsContact CG-SD 3.56Å; M131-M170 WeakPolarHBondContact O-CE 3.49Å; M131-M170 HydrophobicContact SD-SD 3.77Å; M131-F182 HydrophobicContact CB-CD1 3.64Å; M131-F182 HydrophobicContact CB-CD2 4.1Å; M131-F182 HydrophobicContact CB-CE1 3.58Å; M131-F182 HydrophobicContact CB-CE2 4.05Å; M131-F182 HydrophobicContact CB-CG 3.91Å; M131-F182 HydrophobicContact CB-CZ 3.79Å; M131-F182 HydrophobicContact CG-CD1 4.49Å; M131-F182 HydrophobicContact CG-CG 4.37Å; M131-F182 HydrophobicContact SD-CB 3.36Å; M131-F182 WeakPolarHBondContact SD-CB 3.42Å; M131-F182 HydrophobicContact SD-CD1 4.02Å; M131-F182 HydrophobicContact SD-CD2 3.75Å; M131-F182 HydrophobicContact SD-CG 3.44Å; M131-F182 WeakPolarHBondContact SD-CG 3.3Å; M131-Y214 HydrophobicContact CE-CD2 4.1Å; M131-Y214 HydrophobicContact CE-CG 4.3Å
132I97.4Very high95.6Very high0 Ų017.3 Ų17.30%09%0.087CC..EExtended strand (participates in β ladder)trans-114.7130.4176.6-168.6174.8000109.7I87 F107 P117 L121 K139 L140 Y142I87-I132 HydrophobicContact CB-CD1 4.35Å; I87-I132 HydrophobicContact CD1-CD1 4.39Å; F107-I132 HydrophobicContact CE1-CD1 3.72Å; F107-I132 HydrophobicContact CZ-CD1 3.76Å; P117-I132 HydrophobicContact CB-CB 4.41Å; P117-I132 HydrophobicContact CB-CD1 4.27Å; P117-I132 HydrophobicContact CB-CG1 3.85Å; P117-I132 HydrophobicContact CB-CG2 4.05Å; L121-I132 HydrophobicContact CD1-CB 3.97Å; L121-I132 HydrophobicContact CD1-CD1 4.42Å; L121-I132 HydrophobicContact CD1-CG1 4.06Å; I132-K139 WeakPolarHBondContact O-CA 3.47Å; I132-L140 HydrophobicContact CG2-CB 3.86Å; I132-L140 PolarHBondContact N-O 3.43Å; I132-L140 PolarHBondContact O-N 2.89Å; I132-Y142 HydrophobicContact CG2-CD2 4.4Å; I132-Y142 HydrophobicContact CG2-CE2 3.95Å
133G96.4Very high95.7Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-124.1145.6-171.600000113.3G118 Q119 Y120G118-G133 PolarHBondContact N-O 3.19Å; G118-G133 VanDerWaalsContact N-O 3.12Å; Q119-G133 PolarHBondContact N-O 3.13Å; Y120-G133 PolarHBondContact N-O 3.05Å; Y120-G133 PolarHBondContact O-N 3.36Å
134A97.1Very high95.6Very high1 Ų117.4 Ų17.41%0.0089%0.086CC..  trans-90.2161.5164.700000110.5V115 P117 E136 Q138V115-A134 VanDerWaalsContact C-CB 3.43Å; V115-A134 WeakPolarHBondContact O-CB 3.4Å; P117-A134 HydrophobicContact CG-CB 4.44Å; A134-E136 WeakPolarHBondContact CB-O 3.43Å; A134-E136 PolarHBondContact O-N 2.78Å; A134-Q138 HydrophobicContact CB-CB 4.42Å; A134-Q138 WeakPolarHBondContact CB-O 3.42Å; A134-Q138 PolarHBondContact N-O 2.89Å
135P96Very high95.5Very high33 Ų3321.9 Ų21.921%0.21411%0.11CC..SBendtrans-56.1-31.6168.9-25.934.5000113.8R114 Q119 I166 C167R114-P135 WeakPolarHBondContact O-CD 3.26Å; Q119-P135 HydrophobicContact CB-CG 3.94Å; Q119-P135 HydrophobicContact CG-CG 4.15Å; P135-I166 CarbonylContact O-C 3.6Å; P135-I166 WeakPolarHBondContact O-CA 3.41Å; P135-C167 PolarHBondContact O-N 2.95Å
136E94.8Very high95.4Very high20 Ų2026.6 Ų26.69%0.09312%0.12CC..BIsolated β-bridgetrans-135.4142.8179.8-173.8-172.9128.800111R114 V115 A134 Q138 S165 Y189R114-E136 WeakPolarHBondContact CD-OE2 3.41Å; R114-E136 HydrophobicContact CG-CB 4.07Å; R114-E136 WeakPolarHBondContact CG-OE2 3.42Å; R114-E136 IonicContact CZ-OE1 2.78Å; R114-E136 IonicContact CZ-OE2 3.51Å; R114-E136 IonicContact NE-OE1 2.89Å; R114-E136 IonicContact NE-OE2 3.56Å; R114-E136 PolarHBondContact NE-OE2 2.9Å; R114-E136 IonicContact NH1-OE2 3.07Å; R114-E136 IonicContact NH2-OE1 3.99Å; R114-E136 PolarHBondContact NH2-OE1 2.88Å; R114-E136 IonicContact NH2-OE2 2.84Å; R114-E136 PolarHBondContact NH2-OE2 3.03Å; R114-E136 VanDerWaalsContact NH2-OE2 3.16Å; R114-E136 PolarHBondContact O-N 2.88Å; R114-E136 VanDerWaalsContact O-N 3.08Å; V115-E136 WeakPolarHBondContact CA-O 3.16Å; V115-E136 HydrophobicContact CG1-CB 4.37Å; A134-E136 WeakPolarHBondContact CB-O 3.43Å; A134-E136 PolarHBondContact O-N 2.78Å; E136-Q138 VanDerWaalsContact C-N 3.33Å; E136-Q138 PolarHBondContact O-N 2.82Å; E136-S165 WeakPolarHBondContact CA-O 3.29Å; E136-Y189 HydrophobicContact CG-CE1 4.35Å; E136-Y189 PolarHBondContact OE1-OH 2.92Å
137K94.4Very high95.3Very high83 Ų8326.8 Ų26.836%0.36113%0.125SC..SBendtrans67.5-66.6167.5-175.9-177.9177.3-179.70117.2H161 K162 T163 S165K137-H161 WeakPolarHBondContact O-CA 3.37Å; K137-K162 VanDerWaalsContact CA-O 3.27Å; K137-K162 WeakPolarHBondContact CA-O 3.38Å; K137-K162 PolarHBondContact O-N 2.94Å; K137-T163 HydrophobicContact CD-CG2 4.41Å; K137-S165 PolarHBondContact N-O 2.94Å; K137-S165 VanDerWaalsContact N-O 3.1Å
138Q96.3Very high95.2Very high48 Ų4832.3 Ų32.322%0.22416%0.163CC..  trans-88.1128.4-166.4-60.3-166.9-4800112.3V115 P117 A134 E136 H161V115-Q138 VanDerWaalsContact O-CB 3.23Å; V115-Q138 WeakPolarHBondContact O-CB 3.45Å; V115-Q138 WeakPolarHBondContact O-CG 3.49Å; V115-Q138 PolarHBondContact O-OE1 2.85Å; P117-Q138 HydrophobicContact CG-CB 4Å; A134-Q138 HydrophobicContact CB-CB 4.42Å; A134-Q138 WeakPolarHBondContact CB-O 3.42Å; A134-Q138 PolarHBondContact N-O 2.89Å; E136-Q138 VanDerWaalsContact C-N 3.33Å; E136-Q138 PolarHBondContact O-N 2.82Å; Q138-H161 PolarHBondContact NE2-NE2 3.47Å
139K97Very high94.9Very high5 Ų536 Ų362%0.02219%0.185CC..EExtended strand (participates in β ladder)trans-133.5139166.7-44.8-171.5-168.885.80108.4M131 I132 A160 H161 E186 Y214M131-K139 HydrophobicContact CE-CB 3.54Å; M131-K139 HydrophobicContact CE-CD 3.3Å; M131-K139 HydrophobicContact CE-CG 4.02Å; I132-K139 WeakPolarHBondContact O-CA 3.47Å; K139-A160 HydrophobicContact CB-CB 4.16Å; K139-A160 PolarHBondContact O-N 2.88Å; K139-H161 PolarHBondContact N-ND1 2.85Å; K139-H161 PolarHBondContact O-CE1 3.08Å; K139-H161 PolarHBondContact O-ND1 2.85Å; K139-H161 VanDerWaalsContact O-ND1 3.11Å; K139-E186 VanDerWaalsContact CE-OE1 3.26Å; K139-E186 WeakPolarHBondContact CE-OE1 3.4Å; K139-E186 IonicContact NZ-OE1 2.82Å; K139-E186 PolarHBondContact NZ-OE1 3.45Å; K139-E186 IonicContact NZ-OE2 3.02Å; K139-E186 PolarHBondContact NZ-OE2 3.11Å; K139-Y214 HydrophobicContact CD-CE2 4.22Å; K139-Y214 PolarHBondContact NZ-OH 2.75Å
140L97.2Very high94.4Very high9 Ų939.2 Ų39.25%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-129.7140.5-178.1-61.6174.5000109.7F107 P117 M131 I132 Y142 P157 L158 E159F107-L140 HydrophobicContact CB-CD1 3.48Å; F107-L140 VanDerWaalsContact CB-CD1 3.48Å; F107-L140 HydrophobicContact CD2-CD1 4.16Å; F107-L140 HydrophobicContact CG-CD1 3.88Å; P117-L140 HydrophobicContact CG-CD1 4.11Å; P117-L140 HydrophobicContact CG-CG 4.26Å; M131-L140 CarbonylContact C-O 3.5Å; M131-L140 WeakPolarHBondContact CA-O 3.5Å; I132-L140 HydrophobicContact CG2-CB 3.86Å; I132-L140 PolarHBondContact N-O 3.43Å; I132-L140 PolarHBondContact O-N 2.89Å; L140-Y142 HydrophobicContact CB-CE2 4.35Å; L140-P157 HydrophobicContact CB-CB 4.36Å; L140-P157 HydrophobicContact CD1-CB 4.47Å; L140-P157 HydrophobicContact CD2-CB 4.29Å; L140-L158 CarbonylContact C-O 3.53Å; L140-L158 WeakPolarHBondContact CA-O 3.4Å; L140-E159 HydrophobicContact CD2-CG 4.01Å
141V97.4Very high94.1Very high0 Ų047.5 Ų47.50%024%0.243CC..EExtended strand (participates in β ladder)trans-119130.6178.1-1770000109.8A129 I130 M131 L158 F182 L216 V223A129-V141 HydrophobicContact CB-CG1 4.21Å; I130-V141 CarbonylContact O-C 3.45Å; I130-V141 WeakPolarHBondContact O-CA 3.35Å; M131-V141 HydrophobicContact CB-CG2 4.01Å; M131-V141 HydrophobicContact CG-CG2 3.76Å; M131-V141 HydrophobicContact SD-CG2 4.11Å; V141-L158 HydrophobicContact CB-CB 4.39Å; V141-L158 PolarHBondContact N-O 3.06Å; V141-L158 PolarHBondContact O-N 3.23Å; V141-F182 HydrophobicContact CG1-CE2 4.06Å; V141-F182 HydrophobicContact CG2-CE2 4.47Å; V141-L216 HydrophobicContact CG1-CD1 4.28Å; V141-L216 HydrophobicContact CG1-CD2 3.97Å; V141-V223 HydrophobicContact CB-CG2 3.91Å; V141-V223 HydrophobicContact CG1-CG2 4.41Å; V141-V223 HydrophobicContact CG2-CG2 3.75Å
142Y97Very high93.9Very high1 Ų147.8 Ų47.80%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-111.7132175.6-68.8-88.1000109.4I87 E105 A129 I130 I132 L140 I154 S155 P157I87-Y142 HydrophobicContact CD1-CD2 4.15Å; I87-Y142 HydrophobicContact CD1-CE2 4.28Å; I87-Y142 HydrophobicContact CG2-CD2 4.46Å; I87-Y142 HydrophobicContact CG2-CE1 4.34Å; I87-Y142 HydrophobicContact CG2-CE2 3.82Å; E105-Y142 HydrophobicContact CB-CE1 4.01Å; E105-Y142 HydrophobicContact CG-CE1 4.28Å; A129-Y142 CarbonylContact C-O 3.58Å; A129-Y142 WeakPolarHBondContact CA-O 3.17Å; I130-Y142 PolarHBondContact N-O 2.75Å; I130-Y142 PolarHBondContact O-N 2.49Å; I132-Y142 HydrophobicContact CG2-CD2 4.4Å; I132-Y142 HydrophobicContact CG2-CE2 3.95Å; L140-Y142 HydrophobicContact CB-CE2 4.35Å; Y142-I154 HydrophobicContact CD1-CD1 3.61Å; Y142-I154 HydrophobicContact CD1-CG1 3.69Å; Y142-I154 HydrophobicContact CE1-CD1 4.22Å; Y142-I154 HydrophobicContact CG-CD1 3.93Å; Y142-I154 HydrophobicContact CG-CG1 4.18Å; Y142-S155 WeakPolarHBondContact CD1-O 3.34Å; Y142-P157 HydrophobicContact CD1-CB 4.32Å; Y142-P157 HydrophobicContact CE1-CB 3.73Å; Y142-P157 HydrophobicContact CE1-CG 4.22Å; Y142-P157 HydrophobicContact CE2-CB 4.29Å
143I96.4Very high93.7Very high16 Ų1650.3 Ų50.38%0.08226%0.259CS..EExtended strand (participates in β ladder)trans-88133174.1-56.8176.4000108.5S155 L158 L216 L218 N221I143-S155 WeakPolarHBondContact CB-OG 3.37Å; I143-S155 PolarHBondContact N-OG 3.21Å; I143-S155 PolarHBondContact O-N 3.3Å; I143-L158 HydrophobicContact CD1-CD1 4.1Å; I143-L158 HydrophobicContact CG1-CD1 4.41Å; I143-L216 HydrophobicContact CD1-CD1 4.47Å; I143-L216 HydrophobicContact CG1-CD2 4.05Å; I143-L218 HydrophobicContact CD1-CD2 4.24Å; I143-L218 HydrophobicContact CG2-CD2 4.35Å; I143-N221 VanDerWaalsContact CD1-OD1 3.23Å; I143-N221 WeakPolarHBondContact CD1-OD1 3.38Å
144M94.7Very high93.6Very high4 Ų451.6 Ų51.62%0.0227%0.266CS..EExtended strand (participates in β ladder)trans-109120-177.2-56.2-51.9-76.400109.2F68 L70 I89 G127 R128 I130 L152 I154F68-M144 HydrophobicContact CE1-CE 4.31Å; F68-M144 HydrophobicContact CE2-CB 4.44Å; F68-M144 HydrophobicContact CE2-CE 3.94Å; F68-M144 HydrophobicContact CE2-CG 4.38Å; F68-M144 HydrophobicContact CZ-CE 3.46Å; F68-M144 VanDerWaalsContact CZ-CE 3.46Å; L70-M144 HydrophobicContact CD2-CB 4.33Å; I89-M144 HydrophobicContact CD1-CE 3.24Å; I89-M144 HydrophobicContact CD1-SD 4.26Å; G127-M144 WeakPolarHBondContact O-CB 3.47Å; R128-M144 PolarHBondContact O-N 2.88Å; I130-M144 HydrophobicContact CD1-CE 3.74Å; I130-M144 HydrophobicContact CD1-CG 3.73Å; I130-M144 HydrophobicContact CD1-SD 3.7Å; I130-M144 HydrophobicContact CG1-CG 3.89Å; I130-M144 HydrophobicContact CG1-SD 4.36Å; M144-L152 HydrophobicContact CB-CD1 4.38Å; M144-L152 HydrophobicContact CE-CD1 3.43Å; M144-L152 VanDerWaalsContact CE-CD1 3.43Å; M144-L152 HydrophobicContact CE-CD2 3.76Å; M144-L152 HydrophobicContact CE-CG 3.96Å; M144-I154 HydrophobicContact SD-CB 4.36Å; M144-I154 HydrophobicContact SD-CD1 4.23Å; M144-I154 HydrophobicContact SD-CG1 3.97Å
145N92.1Very high93.4Very high96 Ų9653.1 Ų53.151%0.51328%0.277SS..EExtended strand (participates in β ladder)trans-130.1175.2179.3-84.4-43.7000110.8L152 T153N145-L152 WeakPolarHBondContact O-CD1 3.11Å; N145-T153 WeakPolarHBondContact CB-OG1 3.36Å; N145-T153 PolarHBondContact N-O 2.93Å; N145-T153 PolarHBondContact O-N 3.39Å; N145-T153 PolarHBondContact O-OG1 2.65Å
146R90.4Very high93.3Very high160 Ų16056.2 Ų56.260%0.60430%0.299SS*.EExtended strand (participates in β ladder)trans-121.3141.6170.164.1-178-179.1177.70.1110.3L70 R151L70-R146 HydrophobicContact CD1-CB 4.49Å; R146-R151 CarbonylContact C-O 3.58Å; R146-R151 VanDerWaalsContact CA-O 3.29Å; R146-R151 WeakPolarHBondContact CA-O 3.45Å
147D90.6Very high93.4Very high53 Ų5357.8 Ų57.828%0.28331%0.311SS..  trans-78.8-179171.477.4-5000112.1N149 A150 R151 T153D147-N149 PolarHBondContact O-N 2.86Å; D147-N149 VanDerWaalsContact OD1-CA 3.25Å; D147-N149 WeakPolarHBondContact OD1-CA 3.42Å; D147-N149 WeakPolarHBondContact OD1-CB 3.43Å; D147-N149 PolarHBondContact OD1-N 3.49Å; D147-A150 PolarHBondContact O-N 3.26Å; D147-A150 VanDerWaalsContact O-N 3.1Å; D147-A150 PolarHBondContact OD1-N 2.96Å; D147-R151 PolarHBondContact N-O 3.49Å; D147-R151 WeakPolarHBondContact OD1-CB 3.25Å; D147-R151 PolarHBondContact OD1-N 2.85Å; D147-T153 HydrophobicContact CB-CG2 4.04Å
148S89.1Confident93.5Very high118 Ų11855 Ų5583%0.82530%0.3SS*.THydrogen-bonded Turntrans-62-21.1175.454.50000113.7A150S148-A150 VanDerWaalsContact C-N 3.31Å
149N88.2Confident93.4Very high109 Ų10959.4 Ų59.458%0.58332%0.321SS*.THydrogen-bonded Turntrans-93.511.6178.7-56.5-40.3000112.2D147 R151D147-N149 PolarHBondContact O-N 2.86Å; D147-N149 VanDerWaalsContact OD1-CA 3.25Å; D147-N149 WeakPolarHBondContact OD1-CA 3.42Å; D147-N149 WeakPolarHBondContact OD1-CB 3.43Å; D147-N149 PolarHBondContact OD1-N 3.49Å; N149-R151 HydrophobicContact CB-CG 4.19Å; N149-R151 PolarHBondContact O-N 3.12Å
150A86.3Confident93.3Very high67 Ų6759.5 Ų59.555%0.55432%0.323SS*.SBendtrans58.720.5-174.900000114.5D147 S148D147-A150 PolarHBondContact O-N 3.26Å; D147-A150 VanDerWaalsContact O-N 3.1Å; D147-A150 PolarHBondContact OD1-N 2.96Å; S148-A150 VanDerWaalsContact C-N 3.31Å
151R89.3Confident93.1Very high175 Ų17562 Ų6266%0.6633%0.334SS*.  trans-80.6139.2171.7-61.4179.8177.9-170.4-1.5109.3R146 D147 N149R146-R151 CarbonylContact C-O 3.58Å; R146-R151 VanDerWaalsContact CA-O 3.29Å; R146-R151 WeakPolarHBondContact CA-O 3.45Å; D147-R151 PolarHBondContact N-O 3.49Å; D147-R151 WeakPolarHBondContact OD1-CB 3.25Å; D147-R151 PolarHBondContact OD1-N 2.85Å; N149-R151 HydrophobicContact CB-CG 4.19Å; N149-R151 PolarHBondContact O-N 3.12Å
152L93.2Very high92.9Very high6 Ų664.2 Ų64.23%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-61.3136.5173.417564.6000110.3F68 L70 Y77 I89 V102 H103 M144 N145F68-L152 HydrophobicContact CE2-CD1 4.35Å; F68-L152 HydrophobicContact CZ-CD1 4.25Å; F68-L152 HydrophobicContact CZ-CD2 3.9Å; L70-L152 HydrophobicContact CD1-CB 4.24Å; L70-L152 HydrophobicContact CD1-CD1 3.78Å; L70-L152 HydrophobicContact CD2-CD1 3.78Å; L70-L152 HydrophobicContact CG-CD1 4.16Å; Y77-L152 HydrophobicContact CD1-CD2 4.33Å; Y77-L152 HydrophobicContact CE1-CD2 4.44Å; Y77-L152 HydrophobicContact CG-CD2 4.37Å; I89-L152 HydrophobicContact CB-CD2 4.49Å; I89-L152 HydrophobicContact CD1-CD2 4.12Å; I89-L152 HydrophobicContact CG2-CD2 3.71Å; V102-L152 HydrophobicContact CG1-CB 4.43Å; V102-L152 HydrophobicContact CG1-CD2 4.49Å; H103-L152 PolarHBondContact NE2-O 2.94Å; M144-L152 HydrophobicContact CB-CD1 4.38Å; M144-L152 HydrophobicContact CE-CD1 3.43Å; M144-L152 VanDerWaalsContact CE-CD1 3.43Å; M144-L152 HydrophobicContact CE-CD2 3.76Å; M144-L152 HydrophobicContact CE-CG 3.96Å; N145-L152 WeakPolarHBondContact O-CD1 3.11Å
153T93.8Very high92.6Very high52 Ų5267.7 Ų67.732%0.31937%0.365SS..EExtended strand (participates in β ladder)trans-125.6143.7171.4590000109.9N145 D147N145-T153 WeakPolarHBondContact CB-OG1 3.36Å; N145-T153 PolarHBondContact N-O 2.93Å; N145-T153 PolarHBondContact O-N 3.39Å; N145-T153 PolarHBondContact O-OG1 2.65Å; D147-T153 HydrophobicContact CB-CG2 4.04Å
154I94.1Very high92.2Very high28 Ų2869.5 Ų69.514%0.14437%0.373CS..EExtended strand (participates in β ladder)trans-116.2138.9179.7-170.2164.4000109.5I89 H103 E105 Y142 M144I89-I154 HydrophobicContact CD1-CD1 3.98Å; H103-I154 HydrophobicContact CB-CG2 4.3Å; E105-I154 HydrophobicContact CG-CD1 3.94Å; E105-I154 HydrophobicContact CG-CG1 4.42Å; E105-I154 HydrophobicContact CG-CG2 3.81Å; Y142-I154 HydrophobicContact CD1-CD1 3.61Å; Y142-I154 HydrophobicContact CD1-CG1 3.69Å; Y142-I154 HydrophobicContact CE1-CD1 4.22Å; Y142-I154 HydrophobicContact CG-CD1 3.93Å; Y142-I154 HydrophobicContact CG-CG1 4.18Å; M144-I154 HydrophobicContact SD-CB 4.36Å; M144-I154 HydrophobicContact SD-CD1 4.23Å; M144-I154 HydrophobicContact SD-CG1 3.97Å
155S93.7Very high92Very high33 Ų3369.4 Ų69.423%0.23137%0.373CS..PPolyproline II helixtrans-81.1170.3175.473.20000112.6Y142 I143Y142-S155 WeakPolarHBondContact CD1-O 3.34Å; I143-S155 WeakPolarHBondContact CB-OG 3.37Å; I143-S155 PolarHBondContact N-OG 3.21Å; I143-S155 PolarHBondContact O-N 3.3Å
156S94.4Very high92.1Very high98 Ų9867.9 Ų67.969%0.68536%0.364SS*.PPolyproline II helixtrans-57.5149.6159.1-58.50000110.7
157P95.7Very high92.3Very high53 Ų5360.5 Ų60.534%0.34434%0.337SS..PPolyproline II helixtrans-69.3137.8179.327.3-33.3000111.6L140 Y142L140-P157 HydrophobicContact CB-CB 4.36Å; L140-P157 HydrophobicContact CD1-CB 4.47Å; L140-P157 HydrophobicContact CD2-CB 4.29Å; Y142-P157 HydrophobicContact CD1-CB 4.32Å; Y142-P157 HydrophobicContact CE1-CB 3.73Å; Y142-P157 HydrophobicContact CE1-CG 4.22Å; Y142-P157 HydrophobicContact CE2-CB 4.29Å
158L96.5Very high92.5Very high24 Ų2461.9 Ų61.913%0.12634%0.341CS..EExtended strand (participates in β ladder)trans-97.5132.5169.4-59.5175.5000109.6L140 V141 I143 L216 N221 V223L140-L158 CarbonylContact C-O 3.53Å; L140-L158 WeakPolarHBondContact CA-O 3.4Å; V141-L158 HydrophobicContact CB-CB 4.39Å; V141-L158 PolarHBondContact N-O 3.06Å; V141-L158 PolarHBondContact O-N 3.23Å; I143-L158 HydrophobicContact CD1-CD1 4.1Å; I143-L158 HydrophobicContact CG1-CD1 4.41Å; L158-L216 HydrophobicContact CD1-CD1 3.37Å; L158-N221 WeakPolarHBondContact CD2-O 3.46Å; L158-V223 HydrophobicContact CB-CG2 3.96Å; L158-V223 HydrophobicContact CD1-CG2 4.3Å
159E95.2Very high92.8Very high140 Ų14056.7 Ų56.765%0.65431%0.305SS*.EExtended strand (participates in β ladder)trans-86.5129.2-175.1-62.5-177.9178.800111.9L140 H161L140-E159 HydrophobicContact CD2-CG 4.01Å; E159-H161 IonicContact OE2-CD2 2.69Å
160A94Very high93.1Very high8 Ų852.3 Ų52.37%0.06628%0.281CS..  trans-123.345.2172.900000110.8K139 Y214 V223K139-A160 HydrophobicContact CB-CB 4.16Å; K139-A160 PolarHBondContact O-N 2.88Å; A160-Y214 HydrophobicContact CB-CD1 4.02Å; A160-Y214 HydrophobicContact CB-CE1 4.1Å; A160-V223 HydrophobicContact CB-CB 4.23Å; A160-V223 HydrophobicContact CB-CG1 3.86Å
161H94.1Very high93.6Very high62 Ų6251 Ų5129%0.28726%0.264SS..  trans-74.8137.6-173.8-65.2-1.6000112.3K137 Q138 K139 E159K137-H161 WeakPolarHBondContact O-CA 3.37Å; Q138-H161 PolarHBondContact NE2-NE2 3.47Å; K139-H161 PolarHBondContact N-ND1 2.85Å; K139-H161 PolarHBondContact O-CE1 3.08Å; K139-H161 PolarHBondContact O-ND1 2.85Å; K139-H161 VanDerWaalsContact O-ND1 3.11Å; E159-H161 IonicContact OE2-CD2 2.69Å
162K92.3Very high93.9Very high46 Ų4642.9 Ų42.920%0.223%0.234CC..  trans-135113.4170.1168.758.7177.41600109.2K137 D188 E190K137-K162 VanDerWaalsContact CA-O 3.27Å; K137-K162 WeakPolarHBondContact CA-O 3.38Å; K137-K162 PolarHBondContact O-N 2.94Å; K162-D188 WeakPolarHBondContact CE-OD2 3.22Å; K162-D188 IonicContact NZ-OD2 2.86Å; K162-D188 PolarHBondContact NZ-OD2 3.49Å; K162-E190 IonicContact NZ-OE2 3.66Å
163T90.6Very high94Very high74 Ų7442.6 Ų42.645%0.45423%0.233SC..THydrogen-bonded Turntrans-59.5146177.445.30000111.1K137 S165K137-T163 HydrophobicContact CD-CG2 4.41Å; T163-S165 PolarHBondContact O-N 3.18Å; T163-S165 VanDerWaalsContact O-N 3.16Å
164Q87.5Confident94Very high54 Ų5440.6 Ų40.625%0.25222%0.22SC..THydrogen-bonded Turntrans57.529173.4-59.2160.7-10.600114.8Y189 E190 I193Q164-Y189 VanDerWaalsContact CA-CE1 3.46Å; Q164-Y189 HydrophobicContact CB-CD1 4.46Å; Q164-Y189 HydrophobicContact CB-CD2 4.46Å; Q164-Y189 HydrophobicContact CB-CE1 4.14Å; Q164-Y189 HydrophobicContact CB-CE2 4.15Å; Q164-Y189 HydrophobicContact CG-CE2 4.22Å; Q164-Y189 WeakPolarHBondContact O-CD1 3.23Å; Q164-Y189 WeakPolarHBondContact O-CE1 3.47Å; Q164-Y189 PolarHBondContact O-N 3.43Å; Q164-E190 HydrophobicContact CB-CB 4.17Å; Q164-E190 VanDerWaalsContact OE1-CA 3.32Å; Q164-I193 VanDerWaalsContact CD-CD1 3.45Å; Q164-I193 HydrophobicContact CG-CD1 3.74Å
165S91.2Very high93.9Very high2 Ų240.2 Ų40.21%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-114.2127.5173.5171.90000110.6E136 K137 T163 E186 V187E136-S165 WeakPolarHBondContact CA-O 3.29Å; K137-S165 PolarHBondContact N-O 2.94Å; K137-S165 VanDerWaalsContact N-O 3.1Å; T163-S165 PolarHBondContact O-N 3.18Å; T163-S165 VanDerWaalsContact O-N 3.16Å; S165-E186 WeakPolarHBondContact OG-CG 3.46Å; S165-E186 PolarHBondContact OG-OE2 2.89Å; S165-V187 WeakPolarHBondContact CA-O 3.36Å
166I93.6Very high93.8Very high63 Ų6338.8 Ų38.832%0.32321%0.21SC..EExtended strand (participates in β ladder)trans-95.9125.4173.8-61.8169.1000108.9P135 F168 E186 V187 Y189P135-I166 CarbonylContact O-C 3.6Å; P135-I166 WeakPolarHBondContact O-CA 3.41Å; I166-F168 HydrophobicContact CB-CE2 4.27Å; I166-F168 HydrophobicContact CG2-CD2 4.17Å; I166-F168 HydrophobicContact CG2-CE2 3.74Å; I166-F168 HydrophobicContact CG2-CZ 4.36Å; I166-E186 CarbonylContact O-C 3.58Å; I166-E186 VanDerWaalsContact O-CA 3.26Å; I166-E186 WeakPolarHBondContact O-CA 3.29Å; I166-V187 PolarHBondContact N-O 2.85Å; I166-V187 PolarHBondContact O-N 3.15Å; I166-Y189 HydrophobicContact CD1-CD1 3.79Å; I166-Y189 HydrophobicContact CD1-CE1 4.1Å; I166-Y189 HydrophobicContact CG1-CD1 3.69Å; I166-Y189 HydrophobicContact CG1-CE1 3.69Å
167C95Very high93.6Very high5 Ų541.8 Ų41.83%0.03421%0.207CC..EExtended strand (participates in β ladder)trans-94.1129176.3-172.90000110.9Y120 P135 L185Y120-C167 HydrophobicContact CD2-CB 4.3Å; Y120-C167 HydrophobicContact CE2-CB 3.96Å; Y120-C167 WeakPolarHBondContact CE2-O 3.44Å; Y120-C167 PolarHBondContact OH-O 2.87Å; P135-C167 PolarHBondContact O-N 2.95Å; C167-L185 CarbonylContact C-O 3.53Å; C167-L185 WeakPolarHBondContact CA-O 3.28Å
168F94.5Very high93.4Very high83 Ų8346.1 Ų46.136%0.36422%0.223SC..EExtended strand (participates in β ladder)trans-101.1-38.2178.9-76.6-102.8000112.8Y120 I166 L185 V187Y120-F168 WeakPolarHBondContact CE1-O 3.31Å; Y120-F168 PolarHBondContact OH-O 2.84Å; I166-F168 HydrophobicContact CB-CE2 4.27Å; I166-F168 HydrophobicContact CG2-CD2 4.17Å; I166-F168 HydrophobicContact CG2-CE2 3.74Å; I166-F168 HydrophobicContact CG2-CZ 4.36Å; F168-L185 HydrophobicContact CB-CB 4Å; F168-L185 PolarHBondContact N-O 2.93Å; F168-V187 HydrophobicContact CD2-CG2 4.13Å; F168-V187 HydrophobicContact CE2-CB 4.03Å; F168-V187 HydrophobicContact CE2-CG2 3.45Å; F168-V187 VanDerWaalsContact CE2-CG2 3.45Å; F168-V187 HydrophobicContact CZ-CG2 4.17Å
169A95.2Very high93.4Very high9 Ų947 Ų477%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-152.7155.3179.100000110.2C184 L185 L238A169-C184 VanDerWaalsContact O-CA 3.29Å; A169-C184 WeakPolarHBondContact O-CA 3.38Å; A169-L185 HydrophobicContact CB-CB 4.44Å; A169-L185 HydrophobicContact CB-CD1 4.05Å; A169-L185 HydrophobicContact CB-CG 4.29Å; A169-L185 PolarHBondContact O-N 2.92Å; A169-L238 HydrophobicContact CB-CB 4.46Å; A169-L238 HydrophobicContact CB-CD1 4.11Å; A169-L238 HydrophobicContact CB-CG 3.97Å
170M95.5Very high93.4Very high17 Ų1740.3 Ų40.38%0.08420%0.197CC..EExtended strand (participates in β ladder)trans-144.8134.4179.1-179174.466.900110.1Y120 S122 M131 A183Y120-M170 WeakPolarHBondContact O-CE 3.44Å; S122-M170 WeakPolarHBondContact OG-CG 3.26Å; M131-M170 HydrophobicContact CB-SD 4.17Å; M131-M170 HydrophobicContact CE-SD 3.93Å; M131-M170 HydrophobicContact CG-CE 4.37Å; M131-M170 HydrophobicContact CG-SD 3.56Å; M131-M170 VanDerWaalsContact CG-SD 3.56Å; M131-M170 WeakPolarHBondContact O-CE 3.49Å; M131-M170 HydrophobicContact SD-SD 3.77Å; M170-A183 WeakPolarHBondContact CA-O 3.16Å
171I96Very high93.5Very high40 Ų4040.5 Ų40.521%0.20520%0.197CC..EExtended strand (participates in β ladder)trans-143.8147.3179-160.672.7000110.6F182 A183 L238 A240 V251I171-F182 CarbonylContact O-C 3.58Å; I171-F182 WeakPolarHBondContact O-CA 3.44Å; I171-A183 HydrophobicContact CG2-CB 4.01Å; I171-A183 PolarHBondContact N-O 3.43Å; I171-A183 PolarHBondContact O-N 3.38Å; I171-L238 HydrophobicContact CB-CB 4.06Å; I171-L238 HydrophobicContact CB-CD1 4.45Å; I171-L238 HydrophobicContact CG2-CB 3.85Å; I171-L238 HydrophobicContact CG2-CD1 3.9Å; I171-L238 HydrophobicContact CG2-CG 4.5Å; I171-A240 HydrophobicContact CD1-CB 4.47Å; I171-A240 HydrophobicContact CG1-CB 3.73Å; I171-V251 HydrophobicContact CG2-CG1 3.97Å
172G95.8Very high93.6Very high3 Ų337.6 Ų37.63%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-87.4131.3170.100000110.3A240G172-A240 VanDerWaalsContact O-CB 3.3Å; G172-A240 WeakPolarHBondContact O-CB 3.29Å
173I95.2Very high93.8Very high1 Ų135.4 Ų35.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-88.2135.7-178.9-60.8162.3000109.3V175 L181 A183 F213 S249 V251I173-V175 HydrophobicContact CB-CG1 4.36Å; I173-V175 HydrophobicContact CG2-CG1 3.91Å; I173-V175 PolarHBondContact O-N 2.81Å; I173-V175 VanDerWaalsContact O-N 3.07Å; I173-L181 HydrophobicContact CB-CB 4.07Å; I173-L181 HydrophobicContact CD1-CB 3.91Å; I173-L181 HydrophobicContact CG1-CB 4.48Å; I173-L181 PolarHBondContact N-O 2.85Å; I173-A183 HydrophobicContact CD1-CB 3.88Å; I173-A183 HydrophobicContact CG1-CB 4.23Å; I173-F213 HydrophobicContact CD1-CD1 3.27Å; I173-F213 HydrophobicContact CD1-CE1 3.17Å; I173-F213 HydrophobicContact CD1-CG 4.35Å; I173-F213 HydrophobicContact CD1-CZ 4.18Å; I173-S249 VanDerWaalsContact CG2-OG 3.31Å; I173-S249 WeakPolarHBondContact CG2-OG 3.17Å; I173-V251 HydrophobicContact CD1-CG1 4.1Å; I173-V251 HydrophobicContact CG1-CG1 3.67Å
174D94.1Very high94.1Very high9 Ų931.9 Ų31.95%0.04815%0.152CC..  trans-78.591.7174.9-169.40.1000110.3P125 R126 G176 G243 S249P125-D174 HydrophobicContact CB-CB 4.05Å; P125-D174 HydrophobicContact CG-CB 3.8Å; R126-D174 IonicContact NE-OD1 2.68Å; R126-D174 PolarHBondContact NE-OD1 3.12Å; R126-D174 IonicContact NH2-OD1 3.06Å; R126-D174 IonicContact NH2-OD2 3.74Å; D174-G176 VanDerWaalsContact C-N 3.3Å; D174-G176 PolarHBondContact OD1-N 3.11Å; D174-G243 VanDerWaalsContact CG-N 3.34Å; D174-G243 WeakPolarHBondContact O-CA 3.31Å; D174-G243 PolarHBondContact OD2-N 2.93Å; D174-G243 VanDerWaalsContact OD2-N 3.13Å; D174-S249 WeakPolarHBondContact O-CB 3.4Å; D174-S249 PolarHBondContact O-OG 2.94Å
175V92.6Very high94.5Very high20 Ų2029.3 Ų29.312%0.12114%0.14CC..  trans-93.516.8177.1-63.30000112.8I173 Y177 E178 N179 L181I173-V175 HydrophobicContact CB-CG1 4.36Å; I173-V175 HydrophobicContact CG2-CG1 3.91Å; I173-V175 PolarHBondContact O-N 2.81Å; I173-V175 VanDerWaalsContact O-N 3.07Å; V175-Y177 PolarHBondContact O-N 2.88Å; V175-E178 HydrophobicContact CB-CB 4.16Å; V175-E178 HydrophobicContact CG2-CB 4.13Å; V175-E178 PolarHBondContact O-N 3Å; V175-N179 WeakPolarHBondContact CG2-O 3.35Å; V175-L181 HydrophobicContact CG1-CB 4Å; V175-L181 HydrophobicContact CG1-CD1 3.65Å; V175-L181 HydrophobicContact CG1-CG 3.86Å
176G89.9Confident94.7Very high4 Ų429.3 Ų29.34%0.04114%0.14CC..THydrogen-bonded Turntrans62.9-120.1-169.800000111.1R126 R128 D174R126-G176 WeakPolarHBondContact CG-O 3.44Å; R128-G176 PolarHBondContact NH2-O 3.42Å; D174-G176 VanDerWaalsContact C-N 3.3Å; D174-G176 PolarHBondContact OD1-N 3.11Å
177Y90.7Very high94.6Very high160 Ų16026.6 Ų26.663%0.62713%0.126SC*.THydrogen-bonded Turntrans-104.94.5-177.7-70.5-78.5000114.5T71 R128 V175T71-Y177 HydrophobicContact CG2-CE1 4.38Å; R128-Y177 VanDerWaalsContact NH1-C 3.29Å; R128-Y177 PolarHBondContact NH1-O 2.89Å; V175-Y177 PolarHBondContact O-N 2.88Å
178E92.7Very high94.2Very high144 Ų14429 Ų2967%0.67314%0.139SC*.SBendtrans-67.7171.7172.8-66.3-60.5152.300112R128 V175R128-E178 PolarHBondContact NH1-O 2.84Å; R128-E178 PolarHBondContact NH2-O 2.82Å; V175-E178 HydrophobicContact CB-CB 4.16Å; V175-E178 HydrophobicContact CG2-CB 4.13Å; V175-E178 PolarHBondContact O-N 3Å
179N94.8Very high93.8Very high42 Ų4227 Ų2723%0.22513%0.129CC..SBendtrans-50.9126.1176.5-82.4-19.1000111.5V175 L181 E215 L216 L218V175-N179 WeakPolarHBondContact CG2-O 3.35Å; N179-L181 PolarHBondContact O-N 2.88Å; N179-E215 HydrophobicContact CB-CG 3.97Å; N179-L216 WeakPolarHBondContact CB-O 3.42Å; N179-L218 PolarHBondContact OD1-N 3.43Å
180P96Very high92.9Very high0 Ų030.7 Ų30.70%015%0.145CC..PPolyproline II helixtrans-54.5133.2-177.5-26.233.3000112.9D124 R128 A129 F182 L216 L218D124-P180 HydrophobicContact CB-CB 4.19Å; R128-P180 HydrophobicContact CB-CG 4.46Å; A129-P180 HydrophobicContact CB-CB 4.32Å; A129-P180 HydrophobicContact CB-CG 4.31Å; P180-F182 HydrophobicContact CB-CE2 4.42Å; P180-L216 HydrophobicContact CB-CB 4.25Å; P180-L216 HydrophobicContact CB-CD2 4.4Å; P180-L216 HydrophobicContact CG-CD2 4.15Å; P180-L216 PolarHBondContact O-N 3.04Å; P180-L218 HydrophobicContact CG-CD1 4.29Å; P180-L218 HydrophobicContact CG-CG 4.49Å
181L96Very high91.4Very high13 Ų1333 Ų337%0.06817%0.167CC..EExtended strand (participates in β ladder)trans-113.9138.1176.6-68.7-177.5000110.5I173 V175 N179 F213 Y214 E215 K226 L264I173-L181 HydrophobicContact CB-CB 4.07Å; I173-L181 HydrophobicContact CD1-CB 3.91Å; I173-L181 HydrophobicContact CG1-CB 4.48Å; I173-L181 PolarHBondContact N-O 2.85Å; V175-L181 HydrophobicContact CG1-CB 4Å; V175-L181 HydrophobicContact CG1-CD1 3.65Å; V175-L181 HydrophobicContact CG1-CG 3.86Å; N179-L181 PolarHBondContact O-N 2.88Å; L181-F213 HydrophobicContact CD1-CD1 4.43Å; L181-Y214 CarbonylContact C-O 3.59Å; L181-Y214 WeakPolarHBondContact CA-O 3.13Å; L181-E215 HydrophobicContact CD2-CB 3.46Å; L181-E215 VanDerWaalsContact CD2-CB 3.46Å; L181-E215 HydrophobicContact CD2-CG 3.7Å; L181-K226 HydrophobicContact CD2-CD 4.32Å; L181-L264 HydrophobicContact CD1-CD1 3.71Å
182F97.1Very high89.6Confident0 Ų034.2 Ų34.20%017%0.171CC..EExtended strand (participates in β ladder)trans-121.9126.5172.7-61.2-82.5000109.8S122 A129 M131 V141 I171 P180 F213 Y214S122-F182 VanDerWaalsContact OG-CD1 3.27Å; S122-F182 WeakPolarHBondContact OG-CD1 3.17Å; A129-F182 HydrophobicContact CB-CE2 4.25Å; A129-F182 HydrophobicContact CB-CZ 3.94Å; M131-F182 HydrophobicContact CB-CD1 3.64Å; M131-F182 HydrophobicContact CB-CD2 4.1Å; M131-F182 HydrophobicContact CB-CE1 3.58Å; M131-F182 HydrophobicContact CB-CE2 4.05Å; M131-F182 HydrophobicContact CB-CG 3.91Å; M131-F182 HydrophobicContact CB-CZ 3.79Å; M131-F182 HydrophobicContact CG-CD1 4.49Å; M131-F182 HydrophobicContact CG-CG 4.37Å; M131-F182 HydrophobicContact SD-CB 3.36Å; M131-F182 WeakPolarHBondContact SD-CB 3.42Å; M131-F182 HydrophobicContact SD-CD1 4.02Å; M131-F182 HydrophobicContact SD-CD2 3.75Å; M131-F182 HydrophobicContact SD-CG 3.44Å; M131-F182 WeakPolarHBondContact SD-CG 3.3Å; V141-F182 HydrophobicContact CG1-CE2 4.06Å; V141-F182 HydrophobicContact CG2-CE2 4.47Å; I171-F182 CarbonylContact O-C 3.58Å; I171-F182 WeakPolarHBondContact O-CA 3.44Å; P180-F182 HydrophobicContact CB-CE2 4.42Å; F182-F213 CarbonylContact O-C 3.12Å; F182-F213 WeakPolarHBondContact O-CA 3.28Å; F182-Y214 PolarHBondContact N-O 2.74Å; F182-Y214 PolarHBondContact O-N 2.88Å
183A96.3Very high87.9Confident0 Ų037.5 Ų37.50%019%0.187CC..EExtended strand (participates in β ladder)trans-95.8139.417400000110.5M170 I171 I173 L211 T212 L238 V251M170-A183 WeakPolarHBondContact CA-O 3.16Å; I171-A183 HydrophobicContact CG2-CB 4.01Å; I171-A183 PolarHBondContact N-O 3.43Å; I171-A183 PolarHBondContact O-N 3.38Å; I173-A183 HydrophobicContact CD1-CB 3.88Å; I173-A183 HydrophobicContact CG1-CB 4.23Å; A183-L211 HydrophobicContact CB-CD1 4.15Å; A183-T212 CarbonylContact C-O 3.58Å; A183-T212 VanDerWaalsContact CA-O 3.3Å; A183-T212 WeakPolarHBondContact CA-O 3.5Å; A183-L238 HydrophobicContact CB-CD1 4.37Å; A183-V251 HydrophobicContact CB-CG1 3.94Å
184C96.7Very high86.1Confident0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-131.1145.1174-61.40000110.7A169 E186 T212 Y214A169-C184 VanDerWaalsContact O-CA 3.29Å; A169-C184 WeakPolarHBondContact O-CA 3.38Å; C184-E186 HydrophobicContact CB-CG 4.13Å; C184-T212 PolarHBondContact N-O 3.22Å; C184-T212 PolarHBondContact O-N 3.49Å; C184-T212 PolarHBondContact O-OG1 2.86Å; C184-Y214 HydrophobicContact CB-CE2 4.37Å
185L95.8Very high84.1Confident0 Ų044.8 Ų44.80%022%0.223CC..EExtended strand (participates in β ladder)trans-93115.8166.5-67-177.1000109.1C167 F168 A169 Q209 L211 L231 G235 L238 I253C167-L185 CarbonylContact C-O 3.53Å; C167-L185 WeakPolarHBondContact CA-O 3.28Å; F168-L185 HydrophobicContact CB-CB 4Å; F168-L185 PolarHBondContact N-O 2.93Å; A169-L185 HydrophobicContact CB-CB 4.44Å; A169-L185 HydrophobicContact CB-CD1 4.05Å; A169-L185 HydrophobicContact CB-CG 4.29Å; A169-L185 PolarHBondContact O-N 2.92Å; L185-Q209 HydrophobicContact CB-CG 4.42Å; L185-L211 HydrophobicContact CD2-CB 4.5Å; L185-L211 HydrophobicContact CD2-CD1 3.91Å; L185-L231 HydrophobicContact CD2-CD1 3.6Å; L185-G235 WeakPolarHBondContact CD1-O 3.1Å; L185-L238 HydrophobicContact CD1-CD2 4.09Å; L185-L238 HydrophobicContact CD1-CG 4.06Å; L185-L238 HydrophobicContact CD2-CD2 4.02Å; L185-L238 HydrophobicContact CG-CD1 3.97Å; L185-L238 HydrophobicContact CG-CD2 3.94Å; L185-L238 HydrophobicContact CG-CG 3.93Å; L185-I253 HydrophobicContact CD1-CG2 4.33Å; L185-I253 HydrophobicContact CD2-CG2 4.15Å
186E94.3Very high82.4Confident3 Ų350.7 Ų50.71%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-127138.2-171.8-73.4-174.7-145.500113K139 S165 I166 C184 Q209 T210 T212 Y214K139-E186 VanDerWaalsContact CE-OE1 3.26Å; K139-E186 WeakPolarHBondContact CE-OE1 3.4Å; K139-E186 IonicContact NZ-OE1 2.82Å; K139-E186 PolarHBondContact NZ-OE1 3.45Å; K139-E186 IonicContact NZ-OE2 3.02Å; K139-E186 PolarHBondContact NZ-OE2 3.11Å; S165-E186 WeakPolarHBondContact OG-CG 3.46Å; S165-E186 PolarHBondContact OG-OE2 2.89Å; I166-E186 CarbonylContact O-C 3.58Å; I166-E186 VanDerWaalsContact O-CA 3.26Å; I166-E186 WeakPolarHBondContact O-CA 3.29Å; C184-E186 HydrophobicContact CB-CG 4.13Å; E186-Q209 CarbonylContact O-C 3.58Å; E186-T210 PolarHBondContact N-O 2.65Å; E186-T210 PolarHBondContact O-N 2.79Å; E186-T210 PolarHBondContact O-OG1 2.81Å; E186-T212 HydrophobicContact CB-CG2 4.28Å; E186-T212 HydrophobicContact CG-CG2 4.46Å; E186-T212 PolarHBondContact OE1-OG1 3.01Å; E186-Y214 WeakPolarHBondContact OE1-CE2 3.35Å; E186-Y214 PolarHBondContact OE1-OH 2.82Å
187V91.8Very high81.1Confident6 Ų657.8 Ų57.84%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-115116.2167.2178.50000108.5S165 I166 F168 A207 Q209 F234S165-V187 WeakPolarHBondContact CA-O 3.36Å; I166-V187 PolarHBondContact N-O 2.85Å; I166-V187 PolarHBondContact O-N 3.15Å; F168-V187 HydrophobicContact CD2-CG2 4.13Å; F168-V187 HydrophobicContact CE2-CB 4.03Å; F168-V187 HydrophobicContact CE2-CG2 3.45Å; F168-V187 VanDerWaalsContact CE2-CG2 3.45Å; F168-V187 HydrophobicContact CZ-CG2 4.17Å; V187-A207 HydrophobicContact CG1-CB 4.39Å; V187-Q209 HydrophobicContact CG2-CB 3.98Å; V187-Q209 HydrophobicContact CG2-CG 3.97Å; V187-F234 HydrophobicContact CG2-CE1 3.95Å
188D87.6Confident79.9Confident56 Ų5652.7 Ų52.730%0.29927%0.274SS..EExtended strand (participates in β ladder)trans-77.9122.6169.7-159.1-28.8000109.1K162 E190K162-D188 WeakPolarHBondContact CE-OD2 3.22Å; K162-D188 IonicContact NZ-OD2 2.86Å; K162-D188 PolarHBondContact NZ-OD2 3.49Å; D188-E190 WeakPolarHBondContact OD1-CB 3.48Å; D188-E190 PolarHBondContact OD1-N 3.41Å
189Y84.9Confident78.9Confident40 Ų4052.6 Ų52.616%0.15728%0.283CS..  trans-112.114.2176.769.4-88.1000112.2E136 Q164 I166 A191 K192 I193E136-Y189 HydrophobicContact CG-CE1 4.35Å; E136-Y189 PolarHBondContact OE1-OH 2.92Å; Q164-Y189 VanDerWaalsContact CA-CE1 3.46Å; Q164-Y189 HydrophobicContact CB-CD1 4.46Å; Q164-Y189 HydrophobicContact CB-CD2 4.46Å; Q164-Y189 HydrophobicContact CB-CE1 4.14Å; Q164-Y189 HydrophobicContact CB-CE2 4.15Å; Q164-Y189 HydrophobicContact CG-CE2 4.22Å; Q164-Y189 WeakPolarHBondContact O-CD1 3.23Å; Q164-Y189 WeakPolarHBondContact O-CE1 3.47Å; Q164-Y189 PolarHBondContact O-N 3.43Å; I166-Y189 HydrophobicContact CD1-CD1 3.79Å; I166-Y189 HydrophobicContact CD1-CE1 4.1Å; I166-Y189 HydrophobicContact CG1-CD1 3.69Å; I166-Y189 HydrophobicContact CG1-CE1 3.69Å; Y189-A191 PolarHBondContact O-N 2.94Å; Y189-K192 CarbonylContact O-C 3.59Å; Y189-K192 WeakPolarHBondContact O-CA 3.48Å; Y189-K192 VanDerWaalsContact O-CB 3.24Å; Y189-K192 WeakPolarHBondContact O-CB 3.09Å; Y189-K192 PolarHBondContact O-N 2.8Å; Y189-I193 HydrophobicContact CD2-CD1 4.1Å; Y189-I193 HydrophobicContact CD2-CG1 4.18Å; Y189-I193 HydrophobicContact CE2-CD1 3.89Å; Y189-I193 HydrophobicContact CE2-CG1 4.34Å; Y189-I193 PolarHBondContact O-N 3.07Å; Y189-I193 VanDerWaalsContact O-N 3.1Å
190E77.4Confident78Confident87 Ų8755 Ų5541%0.40730%0.299SS..Hα-helixtrans-54.4-51.2171.4-179154.8-155.600111.3K162 Q164 D188 K192 I193 E194K162-E190 IonicContact NZ-OE2 3.66Å; Q164-E190 HydrophobicContact CB-CB 4.17Å; Q164-E190 VanDerWaalsContact OE1-CA 3.32Å; D188-E190 WeakPolarHBondContact OD1-CB 3.48Å; D188-E190 PolarHBondContact OD1-N 3.41Å; E190-K192 PolarHBondContact O-N 2.94Å; E190-K192 VanDerWaalsContact O-N 3.1Å; E190-I193 WeakPolarHBondContact O-CB 3.32Å; E190-I193 PolarHBondContact O-N 3.34Å; E190-E194 PolarHBondContact O-N 2.7Å
191A63.6Low76.9Confident66 Ų6656.6 Ų56.655%0.54532%0.316SS..Hα-helixtrans-59.3-24.2173.600000112.5Y189 A195Y189-A191 PolarHBondContact O-N 2.94Å; A191-A195 WeakPolarHBondContact O-CB 3.26Å; A191-A195 PolarHBondContact O-N 3.48Å
192K59.5Low75.8Confident65 Ų6561 Ų6128%0.28334%0.336SS..Hα-helixtrans-77.9-25.7174.6-58.1-171.7-176.1179.30113.3Y189 E190 A195 D196 A207Y189-K192 CarbonylContact O-C 3.59Å; Y189-K192 WeakPolarHBondContact O-CA 3.48Å; Y189-K192 VanDerWaalsContact O-CB 3.24Å; Y189-K192 WeakPolarHBondContact O-CB 3.09Å; Y189-K192 PolarHBondContact O-N 2.8Å; E190-K192 PolarHBondContact O-N 2.94Å; E190-K192 VanDerWaalsContact O-N 3.1Å; K192-A195 VanDerWaalsContact C-N 3.34Å; K192-A195 CarbonylContact O-C 3.57Å; K192-A195 VanDerWaalsContact O-CA 3.28Å; K192-A195 WeakPolarHBondContact O-CA 3.23Å; K192-A195 WeakPolarHBondContact O-CB 3.36Å; K192-A195 PolarHBondContact O-N 3.09Å; K192-A195 VanDerWaalsContact O-N 3.08Å; K192-D196 PolarHBondContact O-N 3.29Å; K192-A207 HydrophobicContact CD-CB 4.48Å; K192-A207 VanDerWaalsContact NZ-CB 3.35Å
193I58.4Low74.4Confident72 Ų7262.3 Ų62.337%0.36935%0.347SS..Hα-helixtrans-72.7-37.9172.7-66.4164.7000109.4Q164 Y189 E190 A195 D196Q164-I193 VanDerWaalsContact CD-CD1 3.45Å; Q164-I193 HydrophobicContact CG-CD1 3.74Å; Y189-I193 HydrophobicContact CD2-CD1 4.1Å; Y189-I193 HydrophobicContact CD2-CG1 4.18Å; Y189-I193 HydrophobicContact CE2-CD1 3.89Å; Y189-I193 HydrophobicContact CE2-CG1 4.34Å; Y189-I193 PolarHBondContact O-N 3.07Å; Y189-I193 VanDerWaalsContact O-N 3.1Å; E190-I193 WeakPolarHBondContact O-CB 3.32Å; E190-I193 PolarHBondContact O-N 3.34Å; I193-A195 PolarHBondContact O-N 2.73Å; I193-D196 PolarHBondContact O-N 3.24Å
194E58.5Low73.1Confident147 Ų14765 Ų6569%0.68737%0.37SS*.Hα-helixtrans-62.1-31.7165-63.9-171.9164.800110.8E190 L197E190-E194 PolarHBondContact O-N 2.7Å; E194-L197 VanDerWaalsContact O-CB 3.3Å; E194-L197 WeakPolarHBondContact O-CB 3.36Å; E194-L197 PolarHBondContact O-N 3.23Å
195A52.1Low71.9Confident16 Ų1672.5 Ų72.513%0.13241%0.409CS..G310 helixtrans-83.6-5.6173.700000116.7A191 K192 I193 L197 D198 A203A191-A195 WeakPolarHBondContact O-CB 3.26Å; A191-A195 PolarHBondContact O-N 3.48Å; K192-A195 VanDerWaalsContact C-N 3.34Å; K192-A195 CarbonylContact O-C 3.57Å; K192-A195 VanDerWaalsContact O-CA 3.28Å; K192-A195 WeakPolarHBondContact O-CA 3.23Å; K192-A195 WeakPolarHBondContact O-CB 3.36Å; K192-A195 PolarHBondContact O-N 3.09Å; K192-A195 VanDerWaalsContact O-N 3.08Å; I193-A195 PolarHBondContact O-N 2.73Å; A195-L197 PolarHBondContact O-N 2.8Å; A195-D198 VanDerWaalsContact C-N 3.31Å; A195-D198 HydrophobicContact CB-CB 3.9Å; A195-D198 CarbonylContact O-C 3.44Å; A195-D198 VanDerWaalsContact O-CA 3.3Å; A195-D198 WeakPolarHBondContact O-CA 3.49Å; A195-D198 VanDerWaalsContact O-CB 3.29Å; A195-D198 WeakPolarHBondContact O-CB 3.46Å; A195-D198 PolarHBondContact O-N 3.27Å; A195-A203 HydrophobicContact CB-CB 3.27Å
196D57.3Low70.7Confident143 Ų14379.3 Ų79.377%0.76544%0.439SS*.G310 helixtrans-66.3-14.9165.6-80-23.1000109.3K192 I193K192-D196 PolarHBondContact O-N 3.29Å; I193-D196 PolarHBondContact O-N 3.24Å
197L61.1Low69.8Low154 Ų15479.9 Ų79.981%0.80644%0.444SS*.G310 helixtrans-84.7-15.7165.5-58159.4000113.2E194 A195 T199E194-L197 VanDerWaalsContact O-CB 3.3Å; E194-L197 WeakPolarHBondContact O-CB 3.36Å; E194-L197 PolarHBondContact O-N 3.23Å; A195-L197 PolarHBondContact O-N 2.8Å; L197-T199 PolarHBondContact O-N 3.11Å
198D66.5Low69.6Low52 Ų5283 Ų8328%0.27846%0.463SS..  trans-8995.2177.2178.221000110.4A195 T200 G201A195-D198 VanDerWaalsContact C-N 3.31Å; A195-D198 HydrophobicContact CB-CB 3.9Å; A195-D198 CarbonylContact O-C 3.44Å; A195-D198 VanDerWaalsContact O-CA 3.3Å; A195-D198 WeakPolarHBondContact O-CA 3.49Å; A195-D198 VanDerWaalsContact O-CB 3.29Å; A195-D198 WeakPolarHBondContact O-CB 3.46Å; A195-D198 PolarHBondContact O-N 3.27Å; D198-T200 PolarHBondContact O-N 2.75Å; D198-T200 VanDerWaalsContact O-N 3.07Å; D198-T200 VanDerWaalsContact OD1-CB 3.26Å; D198-T200 WeakPolarHBondContact OD1-CB 3.44Å; D198-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D198-T200 PolarHBondContact OD1-N 2.7Å; D198-T200 PolarHBondContact OD1-OG1 2.75Å; D198-T200 PolarHBondContact OD2-OG1 2.71Å; D198-G201 PolarHBondContact O-N 2.8Å
199T71.9Confident69.8Low143 Ų14380.5 Ų80.588%0.87745%0.449SS*.THydrogen-bonded Turntrans-64.8-8.3176.853.60000113.9L197L197-T199 PolarHBondContact O-N 3.11Å
200T74.8Confident70.2Confident91 Ų9180.1 Ų80.156%0.55845%0.451SS*.THydrogen-bonded Turntrans-82.9-24.1-178.574.70000113.4D198 E202D198-T200 PolarHBondContact O-N 2.75Å; D198-T200 VanDerWaalsContact O-N 3.07Å; D198-T200 VanDerWaalsContact OD1-CB 3.26Å; D198-T200 WeakPolarHBondContact OD1-CB 3.44Å; D198-T200 WeakPolarHBondContact OD1-CG2 3.37Å; D198-T200 PolarHBondContact OD1-N 2.7Å; D198-T200 PolarHBondContact OD1-OG1 2.75Å; D198-T200 PolarHBondContact OD2-OG1 2.71Å; T200-E202 PolarHBondContact O-N 2.91Å; T200-E202 PolarHBondContact OG1-N 2.96Å
201G74.6Confident71.1Confident34 Ų3476 Ų7635%0.35143%0.432SS..  trans71.95.2-17600000114.8D198 A203 A204 L205D198-G201 PolarHBondContact O-N 2.8Å; G201-A203 VanDerWaalsContact C-N 3.32Å; G201-A203 PolarHBondContact O-N 2.99Å; G201-A204 WeakPolarHBondContact O-CB 3.22Å; G201-A204 PolarHBondContact O-N 2.92Å; G201-A204 VanDerWaalsContact O-N 3.15Å; G201-L205 PolarHBondContact O-N 2.97Å
202E72.6Confident72.6Confident105 Ų10572.9 Ų72.949%0.49141%0.406SS..Hα-helixtrans-62.1-39.2179.7-77-169.5-169.800112.3T200 A204 L205 K206T200-E202 PolarHBondContact O-N 2.91Å; T200-E202 PolarHBondContact OG1-N 2.96Å; E202-A204 PolarHBondContact O-N 2.84Å; E202-L205 PolarHBondContact O-N 2.86Å; E202-L205 VanDerWaalsContact O-N 3.17Å; E202-K206 WeakPolarHBondContact O-CG 3.48Å; E202-K206 PolarHBondContact O-N 2.57Å; E202-K206 IonicContact OE2-NZ 2.7Å; E202-K206 PolarHBondContact OE2-NZ 3.1Å; E202-K206 VanDerWaalsContact OE2-NZ 3.07Å
203A67.7Low74.3Confident28 Ų2869.9 Ų69.923%0.23139%0.393CS..Hα-helixtrans-65.2-27.8178.100000112.9A195 G201 L205 K206 A207A195-A203 HydrophobicContact CB-CB 3.27Å; G201-A203 VanDerWaalsContact C-N 3.32Å; G201-A203 PolarHBondContact O-N 2.99Å; A203-L205 VanDerWaalsContact C-N 3.34Å; A203-K206 PolarHBondContact O-N 3.27Å; A203-A207 PolarHBondContact O-N 2.83Å
204A68.3Low76.2Confident58 Ų5866.8 Ų66.848%0.47938%0.377SS..Hα-helixtrans-68.2-37.1174.900000111.5G201 E202G201-A204 WeakPolarHBondContact O-CB 3.22Å; G201-A204 PolarHBondContact O-N 2.92Å; G201-A204 VanDerWaalsContact O-N 3.15Å; E202-A204 PolarHBondContact O-N 2.84Å
205L70.8Confident78Confident156 Ų15661.6 Ų61.682%0.81735%0.352SS*.Hα-helixtrans-73.1-30.3175.6-67.6168.2000112.6G201 E202 A203 A207G201-L205 PolarHBondContact O-N 2.97Å; E202-L205 PolarHBondContact O-N 2.86Å; E202-L205 VanDerWaalsContact O-N 3.17Å; A203-L205 VanDerWaalsContact C-N 3.34Å; L205-A207 VanDerWaalsContact C-N 3.3Å; L205-A207 PolarHBondContact O-N 2.86Å
206K71.5Confident80.1Confident144 Ų14460.9 Ų60.963%0.62635%0.346SS*.THydrogen-bonded Turntrans-81.1-1.4178.6-71.3174.1-172.7159.20114.4E202 A203 V208E202-K206 WeakPolarHBondContact O-CG 3.48Å; E202-K206 PolarHBondContact O-N 2.57Å; E202-K206 IonicContact OE2-NZ 2.7Å; E202-K206 PolarHBondContact OE2-NZ 3.1Å; E202-K206 VanDerWaalsContact OE2-NZ 3.07Å; A203-K206 PolarHBondContact O-N 3.27Å; K206-V208 WeakPolarHBondContact O-CG2 3.47Å; K206-V208 PolarHBondContact O-N 2.88Å
207A76Confident81.9Confident15 Ų1556 Ų5612%0.12432%0.32CS..PPolyproline II helixtrans-72.7117.9-177.600000111.2V187 K192 A203 L205 F234V187-A207 HydrophobicContact CG1-CB 4.39Å; K192-A207 HydrophobicContact CD-CB 4.48Å; K192-A207 VanDerWaalsContact NZ-CB 3.35Å; A203-A207 PolarHBondContact O-N 2.83Å; L205-A207 VanDerWaalsContact C-N 3.3Å; L205-A207 PolarHBondContact O-N 2.86Å; A207-F234 WeakPolarHBondContact O-CZ 3.39Å
208V86.8Confident83.3Confident72 Ų7251.9 Ų51.944%0.43630%0.298SS..PPolyproline II helixtrans-99.2139.3-177.8-172.10000109.6K206 P230 L231K206-V208 WeakPolarHBondContact O-CG2 3.47Å; K206-V208 PolarHBondContact O-N 2.88Å; V208-P230 HydrophobicContact CG1-CB 3.67Å; V208-L231 WeakPolarHBondContact CG1-O 3.39Å
209Q92.2Very high84.5Confident2 Ų252.8 Ų52.81%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-77.9138.9170.5-168.7-176.347.100109.5L185 E186 V187 L231 F234 G235L185-Q209 HydrophobicContact CB-CG 4.42Å; E186-Q209 CarbonylContact O-C 3.58Å; V187-Q209 HydrophobicContact CG2-CB 3.98Å; V187-Q209 HydrophobicContact CG2-CG 3.97Å; Q209-L231 PolarHBondContact O-N 2.81Å; Q209-F234 HydrophobicContact CB-CD1 3.94Å; Q209-F234 HydrophobicContact CB-CE1 3.94Å; Q209-G235 PolarHBondContact NE2-O 2.82Å; Q209-G235 PolarHBondContact OE1-O 3.36Å
210T93.8Very high85.5Confident33 Ų3351.8 Ų51.820%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-116.4134.8-178.557.30000110.2E186 E229E186-T210 PolarHBondContact N-O 2.65Å; E186-T210 PolarHBondContact O-N 2.79Å; E186-T210 PolarHBondContact O-OG1 2.81Å; T210-E229 CarbonylContact C-O 3.54Å; T210-E229 VanDerWaalsContact CA-O 3.23Å; T210-E229 WeakPolarHBondContact CA-O 3.29Å
211L95.1Very high86.4Confident0 Ų051.7 Ų51.70%031%0.305CS..EExtended strand (participates in β ladder)trans-85.5114167.4178.369.5000108.4A183 L185 F213 A228 E229 L231 L238 V251 I253 K262A183-L211 HydrophobicContact CB-CD1 4.15Å; L185-L211 HydrophobicContact CD2-CB 4.5Å; L185-L211 HydrophobicContact CD2-CD1 3.91Å; L211-F213 HydrophobicContact CD1-CE2 4.42Å; L211-F213 HydrophobicContact CD2-CD2 4.49Å; L211-F213 HydrophobicContact CD2-CE2 3.47Å; L211-F213 VanDerWaalsContact CD2-CE2 3.47Å; L211-F213 HydrophobicContact CD2-CZ 4.05Å; L211-F213 HydrophobicContact CG-CD2 4.24Å; L211-F213 HydrophobicContact CG-CE2 3.64Å; L211-A228 WeakPolarHBondContact O-CA 3.4Å; L211-E229 PolarHBondContact N-O 3.42Å; L211-E229 PolarHBondContact O-N 3.41Å; L211-L231 HydrophobicContact CB-CD1 4.43Å; L211-L231 HydrophobicContact CB-CD2 4.1Å; L211-L231 HydrophobicContact CB-CG 4.31Å; L211-L238 HydrophobicContact CD1-CD2 4.36Å; L211-V251 HydrophobicContact CD1-CG2 4.38Å; L211-V251 HydrophobicContact CD2-CG2 4.04Å; L211-I253 HydrophobicContact CD1-CD1 4.35Å; L211-I253 HydrophobicContact CD2-CD1 3.72Å; L211-I253 HydrophobicContact CG-CD1 4.45Å; L211-K262 HydrophobicContact CD2-CB 4.14Å; L211-K262 HydrophobicContact CD2-CD 4.12Å
212T95.5Very high87.3Confident0 Ų053.8 Ų53.80%031%0.305CS..EExtended strand (participates in β ladder)trans-110.8132.8-17859.60000111A183 C184 E186 Y227 A228A183-T212 CarbonylContact C-O 3.58Å; A183-T212 VanDerWaalsContact CA-O 3.3Å; A183-T212 WeakPolarHBondContact CA-O 3.5Å; C184-T212 PolarHBondContact N-O 3.22Å; C184-T212 PolarHBondContact O-N 3.49Å; C184-T212 PolarHBondContact O-OG1 2.86Å; E186-T212 HydrophobicContact CB-CG2 4.28Å; E186-T212 HydrophobicContact CG-CG2 4.46Å; E186-T212 PolarHBondContact OE1-OG1 3.01Å; T212-Y227 CarbonylContact C-O 3.51Å; T212-Y227 WeakPolarHBondContact CA-O 3.36Å; T212-A228 HydrophobicContact CG2-CB 3.93Å
213F95.9Very high88.4Confident2 Ų249.7 Ų49.71%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-106.3121.2174.5-68.4-123.3000109.1I173 L181 F182 L211 R225 K226 Y227 V251 L264I173-F213 HydrophobicContact CD1-CD1 3.27Å; I173-F213 HydrophobicContact CD1-CE1 3.17Å; I173-F213 HydrophobicContact CD1-CG 4.35Å; I173-F213 HydrophobicContact CD1-CZ 4.18Å; L181-F213 HydrophobicContact CD1-CD1 4.43Å; F182-F213 CarbonylContact O-C 3.12Å; F182-F213 WeakPolarHBondContact O-CA 3.28Å; L211-F213 HydrophobicContact CD1-CE2 4.42Å; L211-F213 HydrophobicContact CD2-CD2 4.49Å; L211-F213 HydrophobicContact CD2-CE2 3.47Å; L211-F213 VanDerWaalsContact CD2-CE2 3.47Å; L211-F213 HydrophobicContact CD2-CZ 4.05Å; L211-F213 HydrophobicContact CG-CD2 4.24Å; L211-F213 HydrophobicContact CG-CE2 3.64Å; F213-R225 CarbonylContact O-C 3.49Å; F213-K226 PolarHBondContact O-N 3.46Å; F213-Y227 AromaticContact CD2-CD1 3.89Å; F213-Y227 HydrophobicContact CD2-CD1 3.89Å; F213-Y227 HydrophobicContact CE2-CD1 4.1Å; F213-Y227 PolarHBondContact N-O 3.17Å; F213-Y227 PolarHBondContact O-N 2.73Å; F213-V251 HydrophobicContact CZ-CG2 4.33Å; F213-L264 HydrophobicContact CD1-CD1 3.83Å; F213-L264 HydrophobicContact CD1-CD2 4.13Å; F213-L264 HydrophobicContact CD1-CG 3.91Å; F213-L264 HydrophobicContact CD2-CD2 4.38Å; F213-L264 HydrophobicContact CE1-CD1 4.14Å; F213-L264 HydrophobicContact CE1-CD2 4.18Å; F213-L264 HydrophobicContact CE1-CG 3.78Å; F213-L264 HydrophobicContact CE2-CD2 4.43Å; F213-L264 HydrophobicContact CG-CD1 4.49Å; F213-L264 HydrophobicContact CG-CD2 4.24Å; F213-L264 HydrophobicContact CZ-CD2 4.36Å; F213-L264 HydrophobicContact CZ-CG 4.31Å
214Y96.7Very high89.7Confident8 Ų851.3 Ų51.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-98.8121.4171.7-70.4-86.4000109.5M131 K139 A160 L181 F182 C184 E186 V223 V224 R225M131-Y214 HydrophobicContact CE-CD2 4.1Å; M131-Y214 HydrophobicContact CE-CG 4.3Å; K139-Y214 HydrophobicContact CD-CE2 4.22Å; K139-Y214 PolarHBondContact NZ-OH 2.75Å; A160-Y214 HydrophobicContact CB-CD1 4.02Å; A160-Y214 HydrophobicContact CB-CE1 4.1Å; L181-Y214 CarbonylContact C-O 3.59Å; L181-Y214 WeakPolarHBondContact CA-O 3.13Å; F182-Y214 PolarHBondContact N-O 2.74Å; F182-Y214 PolarHBondContact O-N 2.88Å; C184-Y214 HydrophobicContact CB-CE2 4.37Å; E186-Y214 WeakPolarHBondContact OE1-CE2 3.35Å; E186-Y214 PolarHBondContact OE1-OH 2.82Å; Y214-V223 HydrophobicContact CD1-CG1 4.03Å; Y214-V223 HydrophobicContact CG-CG1 4.43Å; Y214-V224 CarbonylContact C-O 3.56Å; Y214-V224 WeakPolarHBondContact CA-O 3.37Å; Y214-R225 HydrophobicContact CD1-CB 4.26Å; Y214-R225 HydrophobicContact CD1-CG 4.32Å; Y214-R225 HydrophobicContact CE1-CB 4.02Å; Y214-R225 HydrophobicContact CE1-CG 3.96Å
215E96.5Very high90.9Very high38 Ų3854.3 Ų54.318%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-99.9126.7175.5-176.4170.5-144.300110.2N179 L181 V223 V224 K226N179-E215 HydrophobicContact CB-CG 3.97Å; L181-E215 HydrophobicContact CD2-CB 3.46Å; L181-E215 VanDerWaalsContact CD2-CB 3.46Å; L181-E215 HydrophobicContact CD2-CG 3.7Å; E215-V223 CarbonylContact O-C 3.56Å; E215-V223 VanDerWaalsContact O-CA 3.3Å; E215-V223 WeakPolarHBondContact O-CA 3.25Å; E215-V224 PolarHBondContact N-O 2.83Å; E215-V224 PolarHBondContact O-N 2.98Å; E215-K226 HydrophobicContact CB-CB 4.09Å; E215-K226 HydrophobicContact CB-CD 4.23Å; E215-K226 IonicContact OE1-NZ 3.11Å; E215-K226 PolarHBondContact OE1-NZ 3.34Å; E215-K226 WeakPolarHBondContact OE2-CD 3.45Å; E215-K226 WeakPolarHBondContact OE2-CE 3.33Å; E215-K226 IonicContact OE2-NZ 2.92Å; E215-K226 PolarHBondContact OE2-NZ 2.84Å
216L96.3Very high92Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-90.2105.8168174.266.9000108.6A129 V141 I143 L158 N179 P180 L218 V223A129-L216 HydrophobicContact CB-CD2 3.43Å; A129-L216 VanDerWaalsContact CB-CD2 3.43Å; V141-L216 HydrophobicContact CG1-CD1 4.28Å; V141-L216 HydrophobicContact CG1-CD2 3.97Å; I143-L216 HydrophobicContact CD1-CD1 4.47Å; I143-L216 HydrophobicContact CG1-CD2 4.05Å; L158-L216 HydrophobicContact CD1-CD1 3.37Å; N179-L216 WeakPolarHBondContact CB-O 3.42Å; P180-L216 HydrophobicContact CB-CB 4.25Å; P180-L216 HydrophobicContact CB-CD2 4.4Å; P180-L216 HydrophobicContact CG-CD2 4.15Å; P180-L216 PolarHBondContact O-N 3.04Å; L216-L218 HydrophobicContact CD2-CD2 3.78Å; L216-L218 HydrophobicContact CG-CD2 4.14Å; L216-L218 PolarHBondContact O-N 3.31Å; L216-V223 HydrophobicContact CD1-CG2 3.77Å
217D95.4Very high92.9Very high40 Ų4049.6 Ų49.621%0.21426%0.264CS..EExtended strand (participates in β ladder)trans-78.4105.3170.9-169.9-35.9000109G219 L220 N221 H222D217-G219 PolarHBondContact O-N 3.15Å; D217-G219 WeakPolarHBondContact OD1-CA 3.3Å; D217-G219 PolarHBondContact OD1-N 3.35Å; D217-L220 HydrophobicContact CB-CB 4.1Å; D217-L220 PolarHBondContact OD1-N 3.3Å; D217-L220 WeakPolarHBondContact OD2-CD1 3.31Å; D217-L220 WeakPolarHBondContact OD2-CG 3.5Å; D217-N221 VanDerWaalsContact O-CA 3.32Å; D217-N221 WeakPolarHBondContact O-CA 3.25Å; D217-N221 PolarHBondContact O-N 3.28Å; D217-H222 PolarHBondContact N-O 3.16Å; D217-H222 VanDerWaalsContact N-O 3.08Å
218L91.2Very high93.6Very high68 Ų6850.9 Ų50.936%0.35628%0.275SS..THydrogen-bonded Turntrans-67.2-25.3-179.9-68.8172.2000112.5I143 N179 P180 L216I143-L218 HydrophobicContact CD1-CD2 4.24Å; I143-L218 HydrophobicContact CG2-CD2 4.35Å; N179-L218 PolarHBondContact OD1-N 3.43Å; P180-L218 HydrophobicContact CG-CD1 4.29Å; P180-L218 HydrophobicContact CG-CG 4.49Å; L216-L218 HydrophobicContact CD2-CD2 3.78Å; L216-L218 HydrophobicContact CG-CD2 4.14Å; L216-L218 PolarHBondContact O-N 3.31Å
219G91.3Very high93.9Very high71 Ų7149.8 Ų49.873%0.73227%0.265SS*.THydrogen-bonded Turntrans-80-41.5178.600000112.5D217D217-G219 PolarHBondContact O-N 3.15Å; D217-G219 WeakPolarHBondContact OD1-CA 3.3Å; D217-G219 PolarHBondContact OD1-N 3.35Å
220L92.5Very high93.9Very high122 Ų12253.5 Ų53.564%0.63929%0.29SS*.THydrogen-bonded Turntrans-89.4-9.7178.5-63.6179.8000113.6D217 H222D217-L220 HydrophobicContact CB-CB 4.1Å; D217-L220 PolarHBondContact OD1-N 3.3Å; D217-L220 WeakPolarHBondContact OD2-CD1 3.31Å; D217-L220 WeakPolarHBondContact OD2-CG 3.5Å; L220-H222 VanDerWaalsContact C-N 3.34Å; L220-H222 VanDerWaalsContact CB-CE1 3.47Å; L220-H222 WeakPolarHBondContact CB-CE1 3.31Å; L220-H222 WeakPolarHBondContact CB-ND1 3.42Å; L220-H222 PolarHBondContact O-N 2.76Å
221N92.9Very high93.7Very high89 Ų8952.3 Ų52.348%0.47628%0.282SS..THydrogen-bonded Turntrans53.445.6178.7-166.537.9000113.5I143 L158 D217I143-N221 VanDerWaalsContact CD1-OD1 3.23Å; I143-N221 WeakPolarHBondContact CD1-OD1 3.38Å; L158-N221 WeakPolarHBondContact CD2-O 3.46Å; D217-N221 VanDerWaalsContact O-CA 3.32Å; D217-N221 WeakPolarHBondContact O-CA 3.25Å; D217-N221 PolarHBondContact O-N 3.28Å
222H94.5Very high93.3Very high78 Ų7860.2 Ų60.236%0.36132%0.319SS..EExtended strand (participates in β ladder)trans-146.1161.5174.274.9-60000110.6D217 L220 V224D217-H222 PolarHBondContact N-O 3.16Å; D217-H222 VanDerWaalsContact N-O 3.08Å; L220-H222 VanDerWaalsContact C-N 3.34Å; L220-H222 VanDerWaalsContact CB-CE1 3.47Å; L220-H222 WeakPolarHBondContact CB-CE1 3.31Å; L220-H222 WeakPolarHBondContact CB-ND1 3.42Å; L220-H222 PolarHBondContact O-N 2.76Å; H222-V224 WeakPolarHBondContact CD2-CG2 3.31Å; H222-V224 WeakPolarHBondContact NE2-CG2 3.21Å
223V96.1Very high92.9Very high20 Ų2063.1 Ų63.112%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-106.7128.7179.6-176.20000109V141 L158 A160 Y214 E215 L216V141-V223 HydrophobicContact CB-CG2 3.91Å; V141-V223 HydrophobicContact CG1-CG2 4.41Å; V141-V223 HydrophobicContact CG2-CG2 3.75Å; L158-V223 HydrophobicContact CB-CG2 3.96Å; L158-V223 HydrophobicContact CD1-CG2 4.3Å; A160-V223 HydrophobicContact CB-CB 4.23Å; A160-V223 HydrophobicContact CB-CG1 3.86Å; Y214-V223 HydrophobicContact CD1-CG1 4.03Å; Y214-V223 HydrophobicContact CG-CG1 4.43Å; E215-V223 CarbonylContact O-C 3.56Å; E215-V223 VanDerWaalsContact O-CA 3.3Å; E215-V223 WeakPolarHBondContact O-CA 3.25Å; L216-V223 HydrophobicContact CD1-CG2 3.77Å
224V95Very high92.6Very high62 Ų6267.9 Ų67.938%0.37635%0.353SS..EExtended strand (participates in β ladder)trans-117.3140.8179.3-171.20000109.6Y214 E215 H222 K226Y214-V224 CarbonylContact C-O 3.56Å; Y214-V224 WeakPolarHBondContact CA-O 3.37Å; E215-V224 PolarHBondContact N-O 2.83Å; E215-V224 PolarHBondContact O-N 2.98Å; H222-V224 WeakPolarHBondContact CD2-CG2 3.31Å; H222-V224 WeakPolarHBondContact NE2-CG2 3.21Å; V224-K226 PolarHBondContact O-N 3.27Å; V224-K226 VanDerWaalsContact O-N 3.1Å
225R93.7Very high92.4Very high120 Ų12067.7 Ų67.745%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-78.292.8168.4-158.4-17984.2171.18.1108.6F213 Y214F213-R225 CarbonylContact O-C 3.49Å; Y214-R225 HydrophobicContact CD1-CB 4.26Å; Y214-R225 HydrophobicContact CD1-CG 4.32Å; Y214-R225 HydrophobicContact CE1-CB 4.02Å; Y214-R225 HydrophobicContact CE1-CG 3.96Å
226K92Very high92.3Very high107 Ų10768.7 Ų68.747%0.46536%0.361SS..EExtended strand (participates in β ladder)trans-71.8-42.7-172.2-170.8-175.8-160.6149.70112.4L181 F213 E215 V224 L264L181-K226 HydrophobicContact CD2-CD 4.32Å; F213-K226 PolarHBondContact O-N 3.46Å; E215-K226 HydrophobicContact CB-CB 4.09Å; E215-K226 HydrophobicContact CB-CD 4.23Å; E215-K226 IonicContact OE1-NZ 3.11Å; E215-K226 PolarHBondContact OE1-NZ 3.34Å; E215-K226 WeakPolarHBondContact OE2-CD 3.45Å; E215-K226 WeakPolarHBondContact OE2-CE 3.33Å; E215-K226 IonicContact OE2-NZ 2.92Å; E215-K226 PolarHBondContact OE2-NZ 2.84Å; V224-K226 PolarHBondContact O-N 3.27Å; V224-K226 VanDerWaalsContact O-N 3.1Å; K226-L264 HydrophobicContact CD-CD1 4.4Å
227Y90.7Very high92.2Very high94 Ų9471.3 Ų71.337%0.36937%0.372SS..EExtended strand (participates in β ladder)trans-141.2147.4-173.4-167-104.5000110.2T212 F213 E229 L264T212-Y227 CarbonylContact C-O 3.51Å; T212-Y227 WeakPolarHBondContact CA-O 3.36Å; F213-Y227 AromaticContact CD2-CD1 3.89Å; F213-Y227 HydrophobicContact CD2-CD1 3.89Å; F213-Y227 HydrophobicContact CE2-CD1 4.1Å; F213-Y227 PolarHBondContact N-O 3.17Å; F213-Y227 PolarHBondContact O-N 2.73Å; Y227-E229 HydrophobicContact CD1-CB 4.32Å; Y227-E229 HydrophobicContact CE1-CB 3.52Å; Y227-E229 HydrophobicContact CE1-CG 4.34Å; Y227-E229 PolarHBondContact OH-OE2 2.83Å; Y227-L264 HydrophobicContact CD1-CD2 3.72Å; Y227-L264 HydrophobicContact CD2-CD2 3.99Å; Y227-L264 HydrophobicContact CE1-CD2 4.31Å; Y227-L264 HydrophobicContact CG-CD2 3.53Å
228A92.3Very high92.2Very high43 Ų4369.6 Ų69.636%0.35536%0.363SS..EExtended strand (participates in β ladder)trans-154.7115.3176.700000108.9L211 T212L211-A228 WeakPolarHBondContact O-CA 3.4Å; T212-A228 HydrophobicContact CG2-CB 3.93Å
229E91.5Very high92.4Very high48 Ų4866.7 Ų66.722%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-129.3134.5-175.8-167.1-170.8-176.400110.9T210 L211 Y227 K262T210-E229 CarbonylContact C-O 3.54Å; T210-E229 VanDerWaalsContact CA-O 3.23Å; T210-E229 WeakPolarHBondContact CA-O 3.29Å; L211-E229 PolarHBondContact N-O 3.42Å; L211-E229 PolarHBondContact O-N 3.41Å; Y227-E229 HydrophobicContact CD1-CB 4.32Å; Y227-E229 HydrophobicContact CE1-CB 3.52Å; Y227-E229 HydrophobicContact CE1-CG 4.34Å; Y227-E229 PolarHBondContact OH-OE2 2.83Å; E229-K262 IonicContact OE1-NZ 3.91Å; E229-K262 PolarHBondContact OE1-NZ 3.03Å; E229-K262 IonicContact OE2-NZ 3.16Å; E229-K262 PolarHBondContact OE2-NZ 3.47Å
230P92Very high92.5Very high81 Ų8164.4 Ų64.453%0.52632%0.322SS..EExtended strand (participates in β ladder)trans-67.5142.917428.1-33.4000111.9V208V208-P230 HydrophobicContact CG1-CB 3.67Å
231L91Very high92.7Very high8 Ų858.6 Ų58.64%0.04229%0.292CS..  trans-99.4144173.6-60.9178000110.3L185 V208 Q209 L211 H233 I253 L260 K262L185-L231 HydrophobicContact CD2-CD1 3.6Å; V208-L231 WeakPolarHBondContact CG1-O 3.39Å; Q209-L231 PolarHBondContact O-N 2.81Å; L211-L231 HydrophobicContact CB-CD1 4.43Å; L211-L231 HydrophobicContact CB-CD2 4.1Å; L211-L231 HydrophobicContact CB-CG 4.31Å; L231-H233 WeakPolarHBondContact CB-O 3.42Å; L231-I253 HydrophobicContact CD1-CD1 4.17Å; L231-I253 HydrophobicContact CD1-CG2 4.1Å; L231-I253 HydrophobicContact CD2-CD1 3.63Å; L231-L260 HydrophobicContact CD2-CD2 4.3Å; L231-K262 HydrophobicContact CD2-CD 4.26Å
232E86.2Confident92.7Very high165 Ų16555 Ų5577%0.77127%0.273SS*.SBendtrans-71.4-40.1175.5-176.3172.5-17700112.2
233H86.7Confident92.5Very high61 Ų6151.2 Ų51.228%0.28226%0.256SS..SBendtrans-114.5149.8178.8-57.7-47.2000110.9L231 G235 C255 Y258L231-H233 WeakPolarHBondContact CB-O 3.42Å; H233-G235 PolarHBondContact O-N 2.84Å; H233-C255 HydrophobicContact CB-CB 3.84Å; H233-Y258 AromaticContact CD2-CD2 3.56Å; H233-Y258 AromaticContact CD2-CE2 3.97Å; H233-Y258 AromaticContact NE2-CD2 3.73Å; H233-Y258 AromaticContact NE2-CE2 3.63Å
234F89.8Confident92Very high103 Ų10352.5 Ų52.545%0.45227%0.273SS..  trans-71.6119174.6-84.7-97000110.3V187 A207 Q209 C255 E256V187-F234 HydrophobicContact CG2-CE1 3.95Å; A207-F234 WeakPolarHBondContact O-CZ 3.39Å; Q209-F234 HydrophobicContact CB-CD1 3.94Å; Q209-F234 HydrophobicContact CB-CE1 3.94Å; F234-C255 WeakPolarHBondContact O-CA 3.44Å; F234-E256 PolarHBondContact O-N 2.92Å
235G92.3Very high91.6Very high4 Ų454.5 Ų54.54%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-85.5140.317000000112.5L185 Q209 H233 C254L185-G235 WeakPolarHBondContact CD1-O 3.1Å; Q209-G235 PolarHBondContact NE2-O 2.82Å; Q209-G235 PolarHBondContact OE1-O 3.36Å; H233-G235 PolarHBondContact O-N 2.84Å; G235-C254 CarbonylContact C-O 3.02Å; G235-C254 WeakPolarHBondContact CA-O 3.41Å
236N94.4Very high91.2Very high59 Ų5951.6 Ų51.632%0.31629%0.289SS..EExtended strand (participates in β ladder)trans-110.4-24176.471.3-58.1000113.3C254 V290N236-C254 PolarHBondContact N-O 2.89Å; N236-C254 PolarHBondContact OD1-O 3.26Å; N236-V290 PolarHBondContact ND2-O 3.02Å
237H94Very high91.1Very high54 Ų5447.3 Ų47.325%0.2528%0.276CS..EExtended strand (participates in β ladder)trans-141.2151.6-175.4-169.253.4000112C254 S293H237-C254 HydrophobicContact CB-CB 4.07Å; H237-C254 PolarHBondContact O-N 2.82Å; H237-S293 PolarHBondContact NE2-OG 2.93Å
238L95.7Very high91.1Very high5 Ų543.5 Ų43.53%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-125.9140.2179.2-69.9178000110.6A169 I171 A183 L185 L211 L252 I253A169-L238 HydrophobicContact CB-CB 4.46Å; A169-L238 HydrophobicContact CB-CD1 4.11Å; A169-L238 HydrophobicContact CB-CG 3.97Å; I171-L238 HydrophobicContact CB-CB 4.06Å; I171-L238 HydrophobicContact CB-CD1 4.45Å; I171-L238 HydrophobicContact CG2-CB 3.85Å; I171-L238 HydrophobicContact CG2-CD1 3.9Å; I171-L238 HydrophobicContact CG2-CG 4.5Å; A183-L238 HydrophobicContact CB-CD1 4.37Å; L185-L238 HydrophobicContact CD1-CD2 4.09Å; L185-L238 HydrophobicContact CD1-CG 4.06Å; L185-L238 HydrophobicContact CD2-CD2 4.02Å; L185-L238 HydrophobicContact CG-CD1 3.97Å; L185-L238 HydrophobicContact CG-CD2 3.94Å; L185-L238 HydrophobicContact CG-CG 3.93Å; L211-L238 HydrophobicContact CD1-CD2 4.36Å; L238-L252 WeakPolarHBondContact CA-O 3.18Å; L238-I253 HydrophobicContact CD2-CB 4.21Å; L238-I253 HydrophobicContact CD2-CG1 3.88Å; L238-I253 HydrophobicContact CD2-CG2 4.09Å
239I95.7Very high91.1Very high6 Ų642.2 Ų42.23%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-124.1127.7175.4-46.2174.8000108.8V251 L252 S293 F304 V306I239-V251 WeakPolarHBondContact O-CA 3.48Å; I239-L252 HydrophobicContact CB-CB 4.1Å; I239-L252 HydrophobicContact CB-CD1 4.31Å; I239-L252 HydrophobicContact CD1-CD1 4.49Å; I239-L252 HydrophobicContact CG2-CD1 4.49Å; I239-L252 PolarHBondContact N-O 3.13Å; I239-L252 PolarHBondContact O-N 3.24Å; I239-S293 VanDerWaalsContact CD1-CB 3.48Å; I239-F304 HydrophobicContact CG2-CD1 3.58Å; I239-F304 HydrophobicContact CG2-CE1 3.85Å; I239-F304 HydrophobicContact CG2-CG 4.4Å; I239-V306 HydrophobicContact CD1-CG2 3.95Å
240A94.6Very high91.2Very high23 Ų2340 Ų4019%0.1924%0.241CC..EExtended strand (participates in β ladder)trans-76.1127174.500000110.5I171 G172I171-A240 HydrophobicContact CD1-CB 4.47Å; I171-A240 HydrophobicContact CG1-CB 3.73Å; G172-A240 VanDerWaalsContact O-CB 3.3Å; G172-A240 WeakPolarHBondContact O-CB 3.29Å
241V94.9Very high91.4Very high0 Ų036.1 Ų36.10%022%0.216CC..PPolyproline II helixtrans-85.9132.6172.3-179.70000108.8P248 S249 G250 L252 Y261 F302 F304 L318V241-P248 HydrophobicContact CG1-CG 4Å; V241-S249 WeakPolarHBondContact CB-O 3.34Å; V241-S249 WeakPolarHBondContact CG1-O 3.4Å; V241-G250 PolarHBondContact N-O 2.98Å; V241-G250 VanDerWaalsContact N-O 3.09Å; V241-L252 HydrophobicContact CG2-CD1 4.09Å; V241-L252 HydrophobicContact CG2-CG 3.79Å; V241-Y261 HydrophobicContact CB-CE2 4.4Å; V241-Y261 HydrophobicContact CG2-CD2 4.14Å; V241-Y261 HydrophobicContact CG2-CE2 3.89Å; V241-F302 HydrophobicContact CG1-CE2 4.08Å; V241-F302 HydrophobicContact CG1-CZ 4.27Å; V241-F304 HydrophobicContact CB-CZ 4.36Å; V241-F304 HydrophobicContact CG1-CZ 4.32Å; V241-F304 HydrophobicContact CG2-CZ 4.06Å; V241-L318 HydrophobicContact CG1-CD1 3.73Å; V241-L318 HydrophobicContact CG2-CD1 3.93Å
242P93.1Very high91.6Very high13 Ų1335.7 Ų35.78%0.08421%0.214CC..PPolyproline II helixtrans-54.6142.1174.6-26.235.7000111.7D246 G247 S249 K297 F302P242-D246 HydrophobicContact CB-CB 4.41Å; P242-G247 CarbonylContact O-C 3.44Å; P242-G247 VanDerWaalsContact O-CA 3.28Å; P242-G247 WeakPolarHBondContact O-CA 3.35Å; P242-S249 PolarHBondContact O-N 3.13Å; P242-K297 HydrophobicContact CB-CD 4.48Å; P242-F302 HydrophobicContact CB-CD1 4.42Å; P242-F302 HydrophobicContact CB-CG 4.44Å; P242-F302 HydrophobicContact CG-CB 3.95Å; P242-F302 HydrophobicContact CG-CD1 4.31Å; P242-F302 HydrophobicContact CG-CD2 4.09Å; P242-F302 HydrophobicContact CG-CG 3.85Å
243G90.6Very high92.1Very high0 Ų027.9 Ų27.90%018%0.177CC..  trans-142-175.9-176.500000114.1D174 G247D174-G243 VanDerWaalsContact CG-N 3.34Å; D174-G243 WeakPolarHBondContact O-CA 3.31Å; D174-G243 PolarHBondContact OD2-N 2.93Å; D174-G243 VanDerWaalsContact OD2-N 3.13Å; G243-G247 VanDerWaalsContact CA-O 3.32Å; G243-G247 WeakPolarHBondContact CA-O 3.38Å
244G86.4Confident92.5Very high47 Ų4725 Ų2549%0.48516%0.163SC..G310 helixtrans71.1-126.6-168.700000110.7D246G244-D246 PolarHBondContact O-N 3.46Å
245A85.7Confident92.7Very high104 Ų10420.2 Ų20.286%0.8614%0.143SC*.G310 helixtrans-75-9.6-179.200000114.1
246D86.3Confident92.6Very high58 Ų5824.2 Ų24.231%0.3116%0.161SC..G310 helixtrans-104.1-9.8-169.2-59.2-73.1000113.6R126 P242 G244 K297 F302R126-D246 IonicContact NH2-OD2 3.69Å; R126-D246 PolarHBondContact NH2-OD2 3.19Å; R126-D246 VanDerWaalsContact NH2-OD2 3.09Å; P242-D246 HydrophobicContact CB-CB 4.41Å; G244-D246 PolarHBondContact O-N 3.46Å; D246-K297 VanDerWaalsContact CB-CE 3.46Å; D246-K297 VanDerWaalsContact CB-NZ 3.33Å; D246-K297 VanDerWaalsContact OD1-CE 3.31Å; D246-K297 WeakPolarHBondContact OD1-CE 3.5Å; D246-K297 IonicContact OD1-NZ 3.67Å; D246-K297 WeakPolarHBondContact OD2-CE 3.18Å; D246-K297 IonicContact OD2-NZ 3.93Å; D246-K297 PolarHBondContact OD2-NZ 2.91Å; D246-F302 WeakPolarHBondContact O-CD1 3.09Å
247G88.7Confident92.4Very high18 Ų1823 Ų2319%0.18616%0.155CC..SBendtrans170.9-177-175.800000113.4P242 G243 S249P242-G247 CarbonylContact O-C 3.44Å; P242-G247 VanDerWaalsContact O-CA 3.28Å; P242-G247 WeakPolarHBondContact O-CA 3.35Å; G243-G247 VanDerWaalsContact CA-O 3.32Å; G243-G247 WeakPolarHBondContact CA-O 3.38Å; G247-S249 VanDerWaalsContact C-N 3.3Å; G247-S249 PolarHBondContact O-N 3.25Å
248P91.6Very high92.2Very high14 Ų1423.3 Ų23.39%0.09115%0.154CC..  trans-79.3-2.3-171.232.9-37.2000114.8V241 N263 T320 V325V241-P248 HydrophobicContact CG1-CG 4Å; P248-N263 PolarHBondContact O-ND2 3.5Å; P248-T320 HydrophobicContact CB-CG2 4.11Å; P248-T320 HydrophobicContact CG-CG2 3.81Å; P248-V325 HydrophobicContact CB-CG2 3.92Å; P248-V325 HydrophobicContact CG-CG2 3.61Å
249S93.1Very high92.2Very high16 Ų1623 Ų2311%0.11215%0.152CC..  trans63.1-169-167.8-169.20000112I173 D174 V241 P242 G247 Y261I173-S249 VanDerWaalsContact CG2-OG 3.31Å; I173-S249 WeakPolarHBondContact CG2-OG 3.17Å; D174-S249 WeakPolarHBondContact O-CB 3.4Å; D174-S249 PolarHBondContact O-OG 2.94Å; V241-S249 WeakPolarHBondContact CB-O 3.34Å; V241-S249 WeakPolarHBondContact CG1-O 3.4Å; P242-S249 PolarHBondContact O-N 3.13Å; G247-S249 VanDerWaalsContact C-N 3.3Å; G247-S249 PolarHBondContact O-N 3.25Å; S249-Y261 PolarHBondContact O-OH 2.96Å
250G92.8Very high92.1Very high0 Ų023.9 Ų23.90%016%0.157CC..  trans96.4-172.6179.200000114.6V241 N263V241-G250 PolarHBondContact N-O 2.98Å; V241-G250 VanDerWaalsContact N-O 3.09Å; G250-N263 WeakPolarHBondContact CA-OD1 3.43Å
251V95.3Very high92.2Very high0 Ų022.8 Ų22.80%015%0.148CC..EExtended strand (participates in β ladder)trans-133.8143.3-177.2-64.20000111.5I171 I173 A183 L211 F213 I239 I253 K262I171-V251 HydrophobicContact CG2-CG1 3.97Å; I173-V251 HydrophobicContact CD1-CG1 4.1Å; I173-V251 HydrophobicContact CG1-CG1 3.67Å; A183-V251 HydrophobicContact CB-CG1 3.94Å; L211-V251 HydrophobicContact CD1-CG2 4.38Å; L211-V251 HydrophobicContact CD2-CG2 4.04Å; F213-V251 HydrophobicContact CZ-CG2 4.33Å; I239-V251 WeakPolarHBondContact O-CA 3.48Å; V251-I253 HydrophobicContact CG2-CG1 4.31Å; V251-K262 PolarHBondContact N-O 3.42Å; V251-K262 PolarHBondContact O-N 3.36Å
252L96.1Very high92.1Very high0 Ų023.2 Ų23.20%015%0.15CC..EExtended strand (participates in β ladder)trans-97.9127.8165-58.9161.5000108.6L238 I239 V241 I259 L260 Y261 F304 L316 L318 M328L238-L252 WeakPolarHBondContact CA-O 3.18Å; I239-L252 HydrophobicContact CB-CB 4.1Å; I239-L252 HydrophobicContact CB-CD1 4.31Å; I239-L252 HydrophobicContact CD1-CD1 4.49Å; I239-L252 HydrophobicContact CG2-CD1 4.49Å; I239-L252 PolarHBondContact N-O 3.13Å; I239-L252 PolarHBondContact O-N 3.24Å; V241-L252 HydrophobicContact CG2-CD1 4.09Å; V241-L252 HydrophobicContact CG2-CG 3.79Å; L252-I259 HydrophobicContact CB-CG2 4.25Å; L252-I259 HydrophobicContact CD2-CG2 4.36Å; L252-L260 CarbonylContact C-O 3.47Å; L252-L260 WeakPolarHBondContact CA-O 3.34Å; L252-Y261 HydrophobicContact CD2-CD2 3.85Å; L252-Y261 HydrophobicContact CD2-CG 4.24Å; L252-Y261 HydrophobicContact CG-CD2 4.43Å; L252-F304 HydrophobicContact CD1-CD2 3.81Å; L252-F304 HydrophobicContact CD1-CE2 3.79Å; L252-F304 HydrophobicContact CD1-CG 4.21Å; L252-F304 HydrophobicContact CD1-CZ 4.17Å; L252-L316 HydrophobicContact CD1-CD2 3.41Å; L252-L316 VanDerWaalsContact CD1-CD2 3.41Å; L252-L316 HydrophobicContact CD2-CD2 4.16Å; L252-L316 HydrophobicContact CG-CD2 4.38Å; L252-L318 HydrophobicContact CD2-CD2 4.25Å; L252-M328 HydrophobicContact CD2-CE 3.57Å; L252-M328 HydrophobicContact CD2-SD 4.26Å
253I96.4Very high92Very high0 Ų024.5 Ų24.50%016%0.156CC..EExtended strand (participates in β ladder)trans-105.9114179.2-44.1174.5000107L185 L211 L231 L238 V251 C255 I259 L260 K262L185-I253 HydrophobicContact CD1-CG2 4.33Å; L185-I253 HydrophobicContact CD2-CG2 4.15Å; L211-I253 HydrophobicContact CD1-CD1 4.35Å; L211-I253 HydrophobicContact CD2-CD1 3.72Å; L211-I253 HydrophobicContact CG-CD1 4.45Å; L231-I253 HydrophobicContact CD1-CD1 4.17Å; L231-I253 HydrophobicContact CD1-CG2 4.1Å; L231-I253 HydrophobicContact CD2-CD1 3.63Å; L238-I253 HydrophobicContact CD2-CB 4.21Å; L238-I253 HydrophobicContact CD2-CG1 3.88Å; L238-I253 HydrophobicContact CD2-CG2 4.09Å; V251-I253 HydrophobicContact CG2-CG1 4.31Å; I253-C255 PolarHBondContact O-N 2.8Å; I253-I259 WeakPolarHBondContact O-CA 3.43Å; I253-L260 HydrophobicContact CB-CB 4.34Å; I253-L260 HydrophobicContact CD1-CD2 4.22Å; I253-L260 PolarHBondContact N-O 3.18Å; I253-L260 PolarHBondContact O-N 3.33Å; I253-K262 HydrophobicContact CD1-CB 4.4Å; I253-K262 HydrophobicContact CD1-CD 4.16Å; I253-K262 HydrophobicContact CD1-CG 4.08Å
254C95.7Very high91.8Very high0 Ų026.7 Ų26.70%017%0.167CC..EExtended strand (participates in β ladder)trans-83.6113.7173.4-560000108.2G235 N236 H237 V290G235-C254 CarbonylContact C-O 3.02Å; G235-C254 WeakPolarHBondContact CA-O 3.41Å; N236-C254 PolarHBondContact N-O 2.89Å; N236-C254 PolarHBondContact OD1-O 3.26Å; H237-C254 HydrophobicContact CB-CB 4.07Å; H237-C254 PolarHBondContact O-N 2.82Å; C254-V290 HydrophobicContact CB-CB 3.75Å; C254-V290 HydrophobicContact CB-CG1 4.29Å; C254-V290 HydrophobicContact CB-CG2 3.88Å
255C93.1Very high91.7Very high4 Ų428 Ų283%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-107.1172.4177.3-62.50000110.4H233 F234 I253 N257 Y258H233-C255 HydrophobicContact CB-CB 3.84Å; F234-C255 WeakPolarHBondContact O-CA 3.44Å; I253-C255 PolarHBondContact O-N 2.8Å; C255-N257 PolarHBondContact O-N 3.38Å; C255-Y258 CarbonylContact C-O 3.58Å; C255-Y258 WeakPolarHBondContact CA-O 3.18Å; C255-Y258 PolarHBondContact N-O 3.01Å; C255-Y258 PolarHBondContact O-N 3.44Å; C255-Y258 VanDerWaalsContact O-O 3.05Å
256E90.1Very high91.5Very high87 Ų8731.9 Ų31.941%0.40718%0.181SC..SBendtrans-61117.8169.7-169.6169.6-157.700110.6F234 Y258 T287 L289F234-E256 PolarHBondContact O-N 2.92Å; E256-Y258 WeakPolarHBondContact O-CD2 3.45Å; E256-Y258 PolarHBondContact O-N 3.1Å; E256-Y258 VanDerWaalsContact O-N 3.08Å; E256-T287 HydrophobicContact CG-CG2 3.73Å; E256-T287 WeakPolarHBondContact CG-OG1 3.44Å; E256-T287 WeakPolarHBondContact OE1-CB 3.41Å; E256-T287 WeakPolarHBondContact OE1-CG2 3.24Å; E256-T287 PolarHBondContact OE1-OG1 3.49Å; E256-L289 HydrophobicContact CB-CD2 4.1Å; E256-L289 HydrophobicContact CG-CD2 4.38Å
257N89.8Confident91.6Very high35 Ų3530.2 Ų30.219%0.18717%0.172CC..SBendtrans63.4-8.5-173.9-56.9-47.7000117.7C255 S273 L274 R276 T287 A288C255-N257 PolarHBondContact O-N 3.38Å; N257-S273 CarbonylContact O-C 3.56Å; N257-S273 WeakPolarHBondContact O-CA 3.33Å; N257-L274 PolarHBondContact O-N 3.36Å; N257-R276 PolarHBondContact OD1-NH2 3.37Å; N257-T287 WeakPolarHBondContact ND2-CG2 3.43Å; N257-T287 WeakPolarHBondContact OD1-CA 3.21Å; N257-A288 PolarHBondContact N-O 2.9Å; N257-A288 PolarHBondContact OD1-N 3.46Å
258Y91.5Very high91.6Very high59 Ų5937 Ų3723%0.23120%0.198CC..EExtended strand (participates in β ladder)trans-131.7152.5-173.8-57.3-80.8000112.4H233 C255 E256 I272H233-Y258 AromaticContact CD2-CD2 3.56Å; H233-Y258 AromaticContact CD2-CE2 3.97Å; H233-Y258 AromaticContact NE2-CD2 3.73Å; H233-Y258 AromaticContact NE2-CE2 3.63Å; C255-Y258 CarbonylContact C-O 3.58Å; C255-Y258 WeakPolarHBondContact CA-O 3.18Å; C255-Y258 PolarHBondContact N-O 3.01Å; C255-Y258 PolarHBondContact O-N 3.44Å; C255-Y258 VanDerWaalsContact O-O 3.05Å; E256-Y258 WeakPolarHBondContact O-CD2 3.45Å; E256-Y258 PolarHBondContact O-N 3.1Å; E256-Y258 VanDerWaalsContact O-N 3.08Å; Y258-I272 CarbonylContact C-O 3.51Å; Y258-I272 WeakPolarHBondContact CA-O 3.43Å
259I94.3Very high91.6Very high0 Ų040.1 Ų40.10%021%0.214CC..EExtended strand (participates in β ladder)trans-116.5126.6163.9-52.9177.1000107.6L252 I253 Q271 I272 L274 V306 L316 M328 I330L252-I259 HydrophobicContact CB-CG2 4.25Å; L252-I259 HydrophobicContact CD2-CG2 4.36Å; I253-I259 WeakPolarHBondContact O-CA 3.43Å; I259-Q271 WeakPolarHBondContact O-CA 3.33Å; I259-I272 HydrophobicContact CB-CG2 3.96Å; I259-I272 PolarHBondContact N-O 3.43Å; I259-I272 PolarHBondContact O-N 2.94Å; I259-L274 HydrophobicContact CD1-CD2 3.72Å; I259-L274 HydrophobicContact CG1-CD2 3.84Å; I259-L274 HydrophobicContact CG1-CG 4.36Å; I259-V306 HydrophobicContact CD1-CG1 4.3Å; I259-L316 HydrophobicContact CD1-CD1 4.33Å; I259-M328 HydrophobicContact CB-CE 4.18Å; I259-M328 HydrophobicContact CG2-CE 3.75Å; I259-I330 HydrophobicContact CD1-CD1 4.25Å
260L94.6Very high91.6Very high23 Ų2340.3 Ų40.312%0.1221%0.214CC..EExtended strand (participates in β ladder)trans-113.1126.3-178.1-173.273.1000110L231 L252 I253 K262 D269 I270 Q271L231-L260 HydrophobicContact CD2-CD2 4.3Å; L252-L260 CarbonylContact C-O 3.47Å; L252-L260 WeakPolarHBondContact CA-O 3.34Å; I253-L260 HydrophobicContact CB-CB 4.34Å; I253-L260 HydrophobicContact CD1-CD2 4.22Å; I253-L260 PolarHBondContact N-O 3.18Å; I253-L260 PolarHBondContact O-N 3.33Å; L260-K262 HydrophobicContact CD2-CD 4.06Å; L260-K262 HydrophobicContact CD2-CG 3.88Å; L260-K262 HydrophobicContact CG-CG 4.01Å; L260-D269 HydrophobicContact CD1-CB 4.22Å; L260-I270 CarbonylContact C-O 3.51Å; L260-I270 WeakPolarHBondContact CA-O 3.47Å; L260-Q271 HydrophobicContact CD1-CB 3.8Å
261Y95.3Very high91.5Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-92.4126168.1175.4-109.8000110V241 S249 L252 N263 Q267 I270 L318 V325 M328V241-Y261 HydrophobicContact CB-CE2 4.4Å; V241-Y261 HydrophobicContact CG2-CD2 4.14Å; V241-Y261 HydrophobicContact CG2-CE2 3.89Å; S249-Y261 PolarHBondContact O-OH 2.96Å; L252-Y261 HydrophobicContact CD2-CD2 3.85Å; L252-Y261 HydrophobicContact CD2-CG 4.24Å; L252-Y261 HydrophobicContact CG-CD2 4.43Å; Y261-N263 HydrophobicContact CE1-CB 4.4Å; Y261-Q267 HydrophobicContact CD1-CG 4.29Å; Y261-Q267 HydrophobicContact CE1-CG 3.69Å; Y261-I270 PolarHBondContact N-O 3.17Å; Y261-I270 PolarHBondContact O-N 2.86Å; Y261-L318 HydrophobicContact CD2-CD1 4.35Å; Y261-L318 HydrophobicContact CE2-CD1 4.35Å; Y261-V325 HydrophobicContact CD1-CB 3.88Å; Y261-V325 HydrophobicContact CD1-CG1 4.07Å; Y261-V325 HydrophobicContact CD1-CG2 4Å; Y261-V325 HydrophobicContact CE1-CB 3.47Å; Y261-V325 VanDerWaalsContact CE1-CB 3.47Å; Y261-V325 HydrophobicContact CE1-CG1 4.14Å; Y261-V325 HydrophobicContact CE1-CG2 3.25Å; Y261-V325 HydrophobicContact CE2-CG2 4.31Å; Y261-V325 VanDerWaalsContact CZ-CG2 3.43Å; Y261-V325 WeakPolarHBondContact OH-CG2 3.49Å; Y261-M328 VanDerWaalsContact CB-SD 3.59Å
262K93.3Very high91.4Very high10 Ų1045.2 Ų45.24%0.04324%0.237CC..EExtended strand (participates in β ladder)trans-131.4138.9173.5-67.6-153.5173.8-139.60111.1L211 E229 L231 V251 I253 L260 D269L211-K262 HydrophobicContact CD2-CB 4.14Å; L211-K262 HydrophobicContact CD2-CD 4.12Å; E229-K262 IonicContact OE1-NZ 3.91Å; E229-K262 PolarHBondContact OE1-NZ 3.03Å; E229-K262 IonicContact OE2-NZ 3.16Å; E229-K262 PolarHBondContact OE2-NZ 3.47Å; L231-K262 HydrophobicContact CD2-CD 4.26Å; V251-K262 PolarHBondContact N-O 3.42Å; V251-K262 PolarHBondContact O-N 3.36Å; I253-K262 HydrophobicContact CD1-CB 4.4Å; I253-K262 HydrophobicContact CD1-CD 4.16Å; I253-K262 HydrophobicContact CD1-CG 4.08Å; L260-K262 HydrophobicContact CD2-CD 4.06Å; L260-K262 HydrophobicContact CD2-CG 3.88Å; L260-K262 HydrophobicContact CG-CG 4.01Å; K262-D269 WeakPolarHBondContact CD-OD1 3.45Å; K262-D269 VanDerWaalsContact CE-CG 3.4Å; K262-D269 WeakPolarHBondContact CE-OD1 3.31Å; K262-D269 WeakPolarHBondContact CE-OD2 3.25Å; K262-D269 WeakPolarHBondContact CG-OD1 3.47Å; K262-D269 IonicContact NZ-OD1 2.99Å; K262-D269 PolarHBondContact NZ-OD1 3.39Å; K262-D269 IonicContact NZ-OD2 3.81Å; K262-D269 PolarHBondContact NZ-OD2 3.49Å
263N91.2Very high91.1Very high39 Ų3945.6 Ų45.621%0.20924%0.24CC..  trans-138.3162172-163.77.9000110.3P248 G250 Y261 Q267P248-N263 PolarHBondContact O-ND2 3.5Å; G250-N263 WeakPolarHBondContact CA-OD1 3.43Å; Y261-N263 HydrophobicContact CE1-CB 4.4Å; N263-Q267 HydrophobicContact CB-CB 4.1Å; N263-Q267 HydrophobicContact CB-CG 4.05Å
264L87.2Confident90.9Very high47 Ų4745.8 Ų45.825%0.24624%0.24CC..SBendtrans-73148.8172.9-64.4173.8000110.5L181 F213 K226 Y227L181-L264 HydrophobicContact CD1-CD1 3.71Å; F213-L264 HydrophobicContact CD1-CD1 3.83Å; F213-L264 HydrophobicContact CD1-CD2 4.13Å; F213-L264 HydrophobicContact CD1-CG 3.91Å; F213-L264 HydrophobicContact CD2-CD2 4.38Å; F213-L264 HydrophobicContact CE1-CD1 4.14Å; F213-L264 HydrophobicContact CE1-CD2 4.18Å; F213-L264 HydrophobicContact CE1-CG 3.78Å; F213-L264 HydrophobicContact CE2-CD2 4.43Å; F213-L264 HydrophobicContact CG-CD1 4.49Å; F213-L264 HydrophobicContact CG-CD2 4.24Å; F213-L264 HydrophobicContact CZ-CD2 4.36Å; F213-L264 HydrophobicContact CZ-CG 4.31Å; K226-L264 HydrophobicContact CD-CD1 4.4Å; Y227-L264 HydrophobicContact CD1-CD2 3.72Å; Y227-L264 HydrophobicContact CD2-CD2 3.99Å; Y227-L264 HydrophobicContact CE1-CD2 4.31Å; Y227-L264 HydrophobicContact CG-CD2 3.53Å
265G83.8Confident90.6Very high75 Ų7546 Ų4677%0.77324%0.242SC*.SBendtrans105.9-142.117300000113.1Q267G265-Q267 VanDerWaalsContact C-N 3.3Å
266E82Confident90.3Very high185 Ų18549 Ų4986%0.86425%0.253SS*.SBendtrans-85.61.3-177.1-61.3-175172.500113.4Q268E266-Q268 PolarHBondContact O-N 3.36Å
267Q87.9Confident90.1Very high23 Ų2345.6 Ų45.611%0.10724%0.236CC..PPolyproline II helixtrans-63.9125.8178.417964.658.600110.6Y261 N263 G265 V325Y261-Q267 HydrophobicContact CD1-CG 4.29Å; Y261-Q267 HydrophobicContact CE1-CG 3.69Å; N263-Q267 HydrophobicContact CB-CB 4.1Å; N263-Q267 HydrophobicContact CB-CG 4.05Å; G265-Q267 VanDerWaalsContact C-N 3.3Å; Q267-V325 PolarHBondContact NE2-O 2.81Å
268Q88.9Confident89.5Confident160 Ų16048.4 Ų48.475%0.74824%0.244SC*.PPolyproline II helixtrans-77.4148.1170.9-65.9-176.3-1.900110.7E266 I270E266-Q268 PolarHBondContact O-N 3.36Å; Q268-I270 PolarHBondContact O-N 2.92Å
269D91.4Very high88.3Confident80 Ų8046.4 Ų46.443%0.42824%0.239SC..PPolyproline II helixtrans-62.7123.6172.4-70.8-8.6000110L260 K262L260-D269 HydrophobicContact CD1-CB 4.22Å; K262-D269 WeakPolarHBondContact CD-OD1 3.45Å; K262-D269 VanDerWaalsContact CE-CG 3.4Å; K262-D269 WeakPolarHBondContact CE-OD1 3.31Å; K262-D269 WeakPolarHBondContact CE-OD2 3.25Å; K262-D269 WeakPolarHBondContact CG-OD1 3.47Å; K262-D269 IonicContact NZ-OD1 2.99Å; K262-D269 PolarHBondContact NZ-OD1 3.39Å; K262-D269 IonicContact NZ-OD2 3.81Å; K262-D269 PolarHBondContact NZ-OD2 3.49Å
270I92.6Very high87Confident20 Ų2047.8 Ų47.810%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-114.9128.1176.8-62.7170.2000108.4L260 Y261 Q268 V325 M328L260-I270 CarbonylContact C-O 3.51Å; L260-I270 WeakPolarHBondContact CA-O 3.47Å; Y261-I270 PolarHBondContact N-O 3.17Å; Y261-I270 PolarHBondContact O-N 2.86Å; Q268-I270 PolarHBondContact O-N 2.92Å; I270-V325 HydrophobicContact CD1-CB 4.15Å; I270-V325 HydrophobicContact CD1-CG1 3.82Å; I270-V325 WeakPolarHBondContact CD1-O 3.45Å; I270-M328 HydrophobicContact CB-CG 4.44Å; I270-M328 HydrophobicContact CB-SD 4.34Å; I270-M328 HydrophobicContact CG2-CB 4.32Å; I270-M328 HydrophobicContact CG2-CG 3.69Å; I270-M328 HydrophobicContact CG2-SD 3.94Å
271Q91.2Very high85.7Confident99 Ų9947.2 Ų47.246%0.46325%0.245SC..EExtended strand (participates in β ladder)trans-119.7147.4179.764.7-1780.900111.7I259 L260 S380I259-Q271 WeakPolarHBondContact O-CA 3.33Å; L260-Q271 HydrophobicContact CD1-CB 3.8Å; Q271-S380 VanDerWaalsContact O-CB 3.24Å; Q271-S380 WeakPolarHBondContact O-CB 3.49Å
272I92.2Very high84.5Confident3 Ų349.4 Ų49.42%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-135.7136.8170.5-168161.8000110.1Y258 I259 L316 M328 I330 F390Y258-I272 CarbonylContact C-O 3.51Å; Y258-I272 WeakPolarHBondContact CA-O 3.43Å; I259-I272 HydrophobicContact CB-CG2 3.96Å; I259-I272 PolarHBondContact N-O 3.43Å; I259-I272 PolarHBondContact O-N 2.94Å; I272-L316 HydrophobicContact CG2-CD1 4.47Å; I272-M328 HydrophobicContact CB-CB 4.4Å; I272-M328 HydrophobicContact CD1-CB 4.46Å; I272-M328 WeakPolarHBondContact CD1-O 3.31Å; I272-M328 HydrophobicContact CG2-CB 4.29Å; I272-M328 HydrophobicContact CG2-CE 3.75Å; I272-M328 HydrophobicContact CG2-SD 4.36Å; I272-I330 HydrophobicContact CD1-CB 3.95Å; I272-I330 HydrophobicContact CD1-CG2 3.44Å; I272-I330 VanDerWaalsContact CD1-CG2 3.44Å; I272-I330 HydrophobicContact CG1-CG2 4.09Å; I272-F390 HydrophobicContact CG1-CE2 4.26Å
273S91.3Very high83.4Confident9 Ų951.3 Ų51.36%0.06327%0.266CS..EExtended strand (participates in β ladder)trans-75.3139.1174.166.20000110.9N257 P275 L384 F390N257-S273 CarbonylContact O-C 3.56Å; N257-S273 WeakPolarHBondContact O-CA 3.33Å; S273-P275 WeakPolarHBondContact O-CD 3.29Å; S273-L384 VanDerWaalsContact OG-CD1 3.3Å; S273-L384 WeakPolarHBondContact OG-CD1 3.35Å; S273-F390 WeakPolarHBondContact OG-CD2 3.26Å; S273-F390 WeakPolarHBondContact OG-CE2 3.47Å
274L90.8Very high82.4Confident3 Ų354.8 Ų54.82%0.01629%0.29CS..PPolyproline II helixtrans-67.1124.9171.9-72.5172.9000110.3N257 I259 A288 V290 I330 T389N257-L274 PolarHBondContact O-N 3.36Å; I259-L274 HydrophobicContact CD1-CD2 3.72Å; I259-L274 HydrophobicContact CG1-CD2 3.84Å; I259-L274 HydrophobicContact CG1-CG 4.36Å; L274-A288 HydrophobicContact CD1-CB 4.22Å; L274-V290 HydrophobicContact CD1-CG2 4.21Å; L274-V290 HydrophobicContact CD2-CG2 4.25Å; L274-I330 HydrophobicContact CD2-CD1 4.26Å; L274-T389 PolarHBondContact O-OG1 2.9Å
275P90.3Very high81.7Confident6 Ų660.8 Ų60.84%0.03932%0.317CS..PPolyproline II helixtrans-64.4144176.1-21.532.8000112.7S273 F314 I330 F378 F390 F392S273-P275 WeakPolarHBondContact O-CD 3.29Å; P275-F314 HydrophobicContact CB-CE1 3.81Å; P275-F314 HydrophobicContact CB-CZ 4.07Å; P275-F314 HydrophobicContact CG-CD1 4.26Å; P275-F314 HydrophobicContact CG-CE1 3.73Å; P275-F314 HydrophobicContact CG-CZ 4.29Å; P275-I330 HydrophobicContact CG-CG2 3.92Å; P275-F378 HydrophobicContact CB-CD2 4.28Å; P275-F378 HydrophobicContact CB-CE2 4.04Å; P275-F378 HydrophobicContact CG-CD2 3.68Å; P275-F378 HydrophobicContact CG-CE2 3.94Å; P275-F390 CarbonylContact C-O 3.44Å; P275-F390 VanDerWaalsContact CA-O 3.24Å; P275-F390 WeakPolarHBondContact CA-O 3.47Å; P275-F390 HydrophobicContact CB-CB 4.01Å; P275-F390 HydrophobicContact CG-CB 4.13Å; P275-F392 HydrophobicContact CB-CD1 3.78Å; P275-F392 HydrophobicContact CB-CE1 4.35Å
276R87.2Confident81.3Confident65 Ų6559 Ų5925%0.24529%0.287CS..EExtended strand (participates in β ladder)trans-109.9155.6176.6-63.5-167.8-179.7-166.1-7.8112.4N257 R286 T389 F390 Y391 F392N257-R276 PolarHBondContact OD1-NH2 3.37Å; R276-R286 VanDerWaalsContact CZ-O 3.26Å; R276-R286 PolarHBondContact NH1-O 3.47Å; R276-R286 VanDerWaalsContact NH1-O 3.12Å; R276-R286 PolarHBondContact NH2-O 3.28Å; R276-T389 HydrophobicContact CB-CG2 4.48Å; R276-T389 HydrophobicContact CG-CG2 4.09Å; R276-F390 PolarHBondContact N-O 3.01Å; R276-Y391 HydrophobicContact CB-CD1 4.24Å; R276-Y391 HydrophobicContact CB-CE1 4.23Å; R276-Y391 CarbonylContact O-C 3.57Å; R276-Y391 VanDerWaalsContact O-CA 3.25Å; R276-Y391 WeakPolarHBondContact O-CA 3.4Å; R276-F392 VanDerWaalsContact C-CE1 3.48Å; R276-F392 WeakPolarHBondContact O-CD1 3.39Å; R276-F392 PolarHBondContact O-N 3.28Å
277R86Confident81.3Confident16 Ų1652.1 Ų52.16%0.0626%0.258CS..EExtended strand (participates in β ladder)trans-72.3135176.7-65.6174177.1-173.92.7110.8S279 D280 Q310 D312 F392 P394 F830R277-S279 VanDerWaalsContact C-N 3.34Å; R277-D280 HydrophobicContact CB-CB 4.21Å; R277-D280 WeakPolarHBondContact CD-OD2 3.22Å; R277-D280 IonicContact CZ-OD2 2.68Å; R277-D280 IonicContact NE-OD2 2.6Å; R277-D280 IonicContact NH1-OD2 2.72Å; R277-D280 PolarHBondContact NH1-OD2 2.69Å; R277-Q310 PolarHBondContact NH2-O 2.87Å; R277-D312 IonicContact CZ-OD1 3.77Å; R277-D312 IonicContact CZ-OD2 2.86Å; R277-D312 IonicContact NE-OD1 2.85Å; R277-D312 PolarHBondContact NE-OD1 2.79Å; R277-D312 IonicContact NE-OD2 3.72Å; R277-D312 PolarHBondContact NE-OD2 2.98Å; R277-D312 VanDerWaalsContact NH2-CG 3.33Å; R277-D312 IonicContact NH2-OD1 3.73Å; R277-D312 PolarHBondContact NH2-OD1 3.45Å; R277-D312 IonicContact NH2-OD2 3.95Å; R277-D312 PolarHBondContact NH2-OD2 2.85Å; R277-F392 WeakPolarHBondContact CA-O 3.2Å; R277-F392 HydrophobicContact CG-CE1 3.85Å; R277-F392 HydrophobicContact CG-CE2 4.15Å; R277-F392 HydrophobicContact CG-CZ 3.5Å; R277-P394 HydrophobicContact CG-CG 4.33Å; R277-F830 PolarHBondContact NH1-O 2.89Å; R277-F830 PolarHBondContact NH2-O 2.91Å
278R76.8Confident81.2Confident95 Ų9551.8 Ų51.836%0.35826%0.259SS..SBendtrans-67.9-30.7175.1-71-177.8-171.5-173.92.5113.9Y391 F392R278-Y391 HydrophobicContact CG-CD1 4.32Å; R278-Y391 HydrophobicContact CG-CG 4.33Å; R278-Y391 PolarHBondContact NE-O 2.95Å; R278-Y391 PolarHBondContact NH2-O 2.95Å; R278-F392 PolarHBondContact N-O 3Å
279S65.1Low81.4Confident17 Ų1747 Ų4712%0.11924%0.238CC..SBendtrans-88.8-13.4-166.350.80000114.9R277 A281 M798R277-S279 VanDerWaalsContact C-N 3.34Å; S279-A281 PolarHBondContact O-N 2.96Å; S279-M798 WeakPolarHBondContact O-CE 3.43Å
280D67.9Low81.5Confident28 Ų2843.2 Ų43.215%0.1522%0.218CC..  trans-91.3118.2-161-76.515.1000109.9R277 E282R277-D280 HydrophobicContact CB-CB 4.21Å; R277-D280 WeakPolarHBondContact CD-OD2 3.22Å; R277-D280 IonicContact CZ-OD2 2.68Å; R277-D280 IonicContact NE-OD2 2.6Å; R277-D280 IonicContact NH1-OD2 2.72Å; R277-D280 PolarHBondContact NH1-OD2 2.69Å; D280-E282 HydrophobicContact CB-CG 4.06Å; D280-E282 PolarHBondContact O-N 3.32Å
281A67.1Low81.7Confident11 Ų1145 Ų459%0.09123%0.229CC..  trans-72.360.6171.500000110S279 F786 L791 K794S279-A281 PolarHBondContact O-N 2.96Å; A281-F786 WeakPolarHBondContact O-CE2 3.03Å; A281-L791 HydrophobicContact CB-CD1 4.47Å; A281-K794 HydrophobicContact CB-CB 4.29Å
282E70.1Confident81.8Confident46 Ų4640.5 Ų40.522%0.21521%0.209CC..  trans-91.6162.5177.2-75.8-164.4168.800112.1D280 P284 R286 Q310 P833 R834D280-E282 HydrophobicContact CB-CG 4.06Å; D280-E282 PolarHBondContact O-N 3.32Å; E282-P284 VanDerWaalsContact O-CD 3.31Å; E282-P284 WeakPolarHBondContact O-CD 3.45Å; E282-R286 IonicContact OE1-CZ 3.78Å; E282-R286 IonicContact OE1-NH1 2.84Å; E282-R286 PolarHBondContact OE1-NH1 3.09Å; E282-R286 IonicContact OE2-CZ 3.31Å; E282-R286 IonicContact OE2-NH1 2.85Å; E282-R286 PolarHBondContact OE2-NH1 3.29Å; E282-Q310 PolarHBondContact OE1-NE2 2.78Å; E282-Q310 PolarHBondContact OE2-NE2 3.33Å; E282-Q310 VanDerWaalsContact OE2-NE2 3.1Å; E282-P833 HydrophobicContact CG-CB 4.41Å; E282-R834 PolarHBondContact OE1-N 2.94Å
283D69.9Low82Confident51 Ų5141.8 Ų41.827%0.27322%0.218SC..  trans-61.4118.1168.9-168.7-12.1000109.6E285 R286D283-E285 PolarHBondContact O-N 3.28Å; D283-E285 VanDerWaalsContact O-N 3.16Å; D283-E285 PolarHBondContact OD1-N 3.45Å; D283-R286 HydrophobicContact CB-CB 4.35Å; D283-R286 VanDerWaalsContact O-CB 3.29Å; D283-R286 WeakPolarHBondContact O-CB 3.35Å; D283-R286 PolarHBondContact O-N 3.19Å
284P69.8Low82.1Confident111 Ų11141.6 Ų41.672%0.72122%0.218SC*.THydrogen-bonded Turntrans-57.9-29.1-179.7-24.134.2000113.2E282 R286E282-P284 VanDerWaalsContact O-CD 3.31Å; E282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-R286 PolarHBondContact O-N 3.14Å
285E73.1Confident82.1Confident173 Ų17345.3 Ų45.381%0.80824%0.243SC*.THydrogen-bonded Turntrans-73.8-14.3179.6-63.4-172.9174.300112.9D283D283-E285 PolarHBondContact O-N 3.28Å; D283-E285 VanDerWaalsContact O-N 3.16Å; D283-E285 PolarHBondContact OD1-N 3.45Å
286R75.1Confident82Confident38 Ų3847.2 Ų47.214%0.14325%0.252CS..PPolyproline II helixtrans-69.5138.5-179.4-175.9176.9169.2-152.21.7110.6R276 E282 D283 P284 E309 R834R276-R286 VanDerWaalsContact CZ-O 3.26Å; R276-R286 PolarHBondContact NH1-O 3.47Å; R276-R286 VanDerWaalsContact NH1-O 3.12Å; R276-R286 PolarHBondContact NH2-O 3.28Å; E282-R286 IonicContact OE1-CZ 3.78Å; E282-R286 IonicContact OE1-NH1 2.84Å; E282-R286 PolarHBondContact OE1-NH1 3.09Å; E282-R286 IonicContact OE2-CZ 3.31Å; E282-R286 IonicContact OE2-NH1 2.85Å; E282-R286 PolarHBondContact OE2-NH1 3.29Å; D283-R286 HydrophobicContact CB-CB 4.35Å; D283-R286 VanDerWaalsContact O-CB 3.29Å; D283-R286 WeakPolarHBondContact O-CB 3.35Å; D283-R286 PolarHBondContact O-N 3.19Å; P284-R286 PolarHBondContact O-N 3.14Å; R286-E309 IonicContact CZ-OE1 3.04Å; R286-E309 IonicContact CZ-OE2 3.7Å; R286-E309 IonicContact NE-OE1 3.97Å; R286-E309 PolarHBondContact NE-OE1 3.47Å; R286-E309 IonicContact NE-OE2 2.69Å; R286-E309 IonicContact NH2-OE1 2.63Å; R286-E309 PolarHBondContact NH2-OE1 3.35Å; R286-E309 IonicContact NH2-OE2 3.88Å; R286-E309 PolarHBondContact NH2-OE2 3.1Å; R286-R834 VanDerWaalsContact CZ-CD 3.4Å; R286-R834 VanDerWaalsContact NH1-CB 3.3Å; R286-R834 VanDerWaalsContact NH1-CG 3.27Å; R286-R834 VanDerWaalsContact NH2-CD 3.26Å; R286-R834 VanDerWaalsContact NH2-NE 3.16Å
287T82.3Confident82Confident40 Ų4048.4 Ų48.425%0.24526%0.259CS..PPolyproline II helixtrans-101.4155.1175.958.30000111.3E256 N257E256-T287 HydrophobicContact CG-CG2 3.73Å; E256-T287 WeakPolarHBondContact CG-OG1 3.44Å; E256-T287 WeakPolarHBondContact OE1-CB 3.41Å; E256-T287 WeakPolarHBondContact OE1-CG2 3.24Å; E256-T287 PolarHBondContact OE1-OG1 3.49Å; N257-T287 WeakPolarHBondContact ND2-CG2 3.43Å; N257-T287 WeakPolarHBondContact OD1-CA 3.21Å
288A86.5Confident81.9Confident16 Ų1650.1 Ų50.113%0.13227%0.271CS..PPolyproline II helixtrans-102.5136.4178.300000110.5N257 L274N257-A288 PolarHBondContact N-O 2.9Å; N257-A288 PolarHBondContact OD1-N 3.46Å; L274-A288 HydrophobicContact CD1-CB 4.22Å
289L92.4Very high81.9Confident61 Ų6155.9 Ų55.932%0.31930%0.299SS..  trans-121.4150.2174.7-67.6172000110.6E256 T308 E309E256-L289 HydrophobicContact CB-CD2 4.1Å; E256-L289 HydrophobicContact CG-CD2 4.38Å; L289-T308 WeakPolarHBondContact O-CA 3.45Å; L289-E309 PolarHBondContact O-N 3.49Å; L289-E309 VanDerWaalsContact O-N 3.11Å
290V94.9Very high82.7Confident0 Ų060.3 Ų60.30%033%0.33CS..EExtended strand (participates in β ladder)trans-83.2127.6168.2172.80000108.9N236 C254 L274 V306 Q307N236-V290 PolarHBondContact ND2-O 3.02Å; C254-V290 HydrophobicContact CB-CB 3.75Å; C254-V290 HydrophobicContact CB-CG1 4.29Å; C254-V290 HydrophobicContact CB-CG2 3.88Å; L274-V290 HydrophobicContact CD1-CG2 4.21Å; L274-V290 HydrophobicContact CD2-CG2 4.25Å; V290-V306 HydrophobicContact CB-CG1 3.97Å; V290-V306 HydrophobicContact CG1-CG1 3.32Å; V290-V306 HydrophobicContact CG2-CG1 3.38Å; V290-Q307 CarbonylContact C-O 3.37Å; V290-Q307 WeakPolarHBondContact CA-O 3.47Å
291V94.9Very high83.6Confident56 Ų5662.3 Ų62.334%0.33934%0.339SS..EExtended strand (participates in β ladder)trans-94.5-37.7-179.6-66.20000112.8Q307 E309 V338V291-Q307 HydrophobicContact CG2-CB 4.07Å; V291-Q307 HydrophobicContact CG2-CG 4.16Å; V291-Q307 WeakPolarHBondContact CG2-O 3.34Å; V291-Q307 PolarHBondContact N-O 2.96Å; V291-E309 HydrophobicContact CG1-CB 4.03Å; V291-V338 HydrophobicContact CG1-CG1 4.46Å; V291-V338 HydrophobicContact CG2-CG1 4.14Å
292C94.6Very high84.8Confident6 Ų663.1 Ų63.14%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-155.7166.8179.867.90000111.2Q307 A339C292-Q307 PolarHBondContact O-N 3.34Å; C292-Q307 PolarHBondContact SG-OE1 3.13Å; C292-A339 PolarHBondContact SG-O 3.17Å
293S95.2Very high85.9Confident29 Ų2961.3 Ų61.320%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-145.9148.1-178.563.70000111.4H237 I239 L305H237-S293 PolarHBondContact NE2-OG 2.93Å; I239-S293 VanDerWaalsContact CD1-CB 3.48Å; S293-L305 CarbonylContact C-O 3.55Å; S293-L305 WeakPolarHBondContact CA-O 3.28Å
294A94Very high87.1Confident6 Ų658.9 Ų58.95%0.0532%0.319CS..EExtended strand (participates in β ladder)trans-122.9136166.200000109.9F304 L305 M342 L344A294-F304 CarbonylContact O-C 3.57Å; A294-F304 WeakPolarHBondContact O-CA 3.46Å; A294-L305 PolarHBondContact N-O 2.86Å; A294-L305 PolarHBondContact O-N 3.27Å; A294-M342 HydrophobicContact CB-CB 3.84Å; A294-L344 HydrophobicContact CB-CD1 3.6Å; A294-L344 HydrophobicContact CB-CG 3.92Å
295S91.9Very high88.3Confident80 Ų8053.6 Ų53.656%0.55929%0.285SS*.EExtended strand (participates in β ladder)trans-100.7137.1171.357.80000109.8
296H88.1Confident89.4Confident46 Ų4645.4 Ų45.421%0.21325%0.247CC..EExtended strand (participates in β ladder)trans-124.5130.3171.7-177.5-107.1000110.1T298 F302 F303 L344H296-T298 WeakPolarHBondContact CE1-CG2 3.44Å; H296-F302 VanDerWaalsContact O-CA 3.26Å; H296-F302 WeakPolarHBondContact O-CA 3.1Å; H296-F303 HydrophobicContact CB-CD1 4.42Å; H296-F303 HydrophobicContact CB-CD2 4.44Å; H296-F303 HydrophobicContact CB-CE1 3.97Å; H296-F303 HydrophobicContact CB-CE2 3.96Å; H296-F303 HydrophobicContact CB-CZ 3.7Å; H296-F303 AromaticContact CG-CE1 3.91Å; H296-F303 AromaticContact CG-CZ 3.84Å; H296-F303 PolarHBondContact N-O 2.88Å; H296-F303 AromaticContact ND1-CE1 3.2Å; H296-F303 WeakPolarHBondContact ND1-CE1 3.35Å; H296-F303 AromaticContact ND1-CZ 3.51Å; H296-F303 PolarHBondContact O-N 3.06Å; H296-L344 HydrophobicContact CB-CD1 3.68Å
297K86.2Confident90.4Very high91 Ų9143.6 Ų43.640%0.39624%0.24SC..EExtended strand (participates in β ladder)trans-122.7120.3-177.9177.3176.7174.4170.60109.2P242 D246P242-K297 HydrophobicContact CB-CD 4.48Å; D246-K297 VanDerWaalsContact CB-CE 3.46Å; D246-K297 VanDerWaalsContact CB-NZ 3.33Å; D246-K297 VanDerWaalsContact OD1-CE 3.31Å; D246-K297 WeakPolarHBondContact OD1-CE 3.5Å; D246-K297 IonicContact OD1-NZ 3.67Å; D246-K297 WeakPolarHBondContact OD2-CE 3.18Å; D246-K297 IonicContact OD2-NZ 3.93Å; D246-K297 PolarHBondContact OD2-NZ 2.91Å
298T83.3Confident91Very high51 Ų5142 Ų4231%0.31323%0.23SC..  trans-106177.6164.368.40000109.2H296 S300 M301H296-T298 WeakPolarHBondContact CE1-CG2 3.44Å; T298-S300 VanDerWaalsContact C-N 3.27Å; T298-S300 PolarHBondContact O-N 2.88Å; T298-S300 PolarHBondContact OG1-OG 2.86Å; T298-M301 PolarHBondContact N-O 2.64Å; T298-M301 WeakPolarHBondContact OG1-CG 3.44Å; T298-M301 PolarHBondContact OG1-N 3.04Å; T298-M301 VanDerWaalsContact OG1-N 3.08Å; T298-M301 PolarHBondContact OG1-O 3.1Å
299K78.5Confident91.2Very high216 Ų21642.9 Ų42.994%0.93923%0.231SC*.SBendtrans-70.4-23.6176.6-69.8-174.7177.8-177.60113.4
300S80.4Confident91Very high111 Ų11141.9 Ų41.978%0.77623%0.225SC*.SBendtrans-104.5-32.6-173.649.70000113T298T298-S300 VanDerWaalsContact C-N 3.27Å; T298-S300 PolarHBondContact O-N 2.88Å; T298-S300 PolarHBondContact OG1-OG 2.86Å
301M87.5Confident90.9Very high70 Ų7041.9 Ų41.935%0.34523%0.225SC..  trans-147.8156.7-175.164.2-172.7-68.600111.1T298 F303T298-M301 PolarHBondContact N-O 2.64Å; T298-M301 WeakPolarHBondContact OG1-CG 3.44Å; T298-M301 PolarHBondContact OG1-N 3.04Å; T298-M301 VanDerWaalsContact OG1-N 3.08Å; T298-M301 PolarHBondContact OG1-O 3.1Å; M301-F303 HydrophobicContact CE-CD1 4.32Å
302F91.4Very high90.9Very high28 Ų2839.3 Ų39.312%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-127.5150.5166.961.9-91.2000109.1V241 P242 D246 H296 F304 L318V241-F302 HydrophobicContact CG1-CE2 4.08Å; V241-F302 HydrophobicContact CG1-CZ 4.27Å; P242-F302 HydrophobicContact CB-CD1 4.42Å; P242-F302 HydrophobicContact CB-CG 4.44Å; P242-F302 HydrophobicContact CG-CB 3.95Å; P242-F302 HydrophobicContact CG-CD1 4.31Å; P242-F302 HydrophobicContact CG-CD2 4.09Å; P242-F302 HydrophobicContact CG-CG 3.85Å; D246-F302 WeakPolarHBondContact O-CD1 3.09Å; H296-F302 VanDerWaalsContact O-CA 3.26Å; H296-F302 WeakPolarHBondContact O-CA 3.1Å; F302-F304 AromaticContact CD2-CE2 3.79Å; F302-F304 HydrophobicContact CD2-CE2 3.79Å; F302-F304 AromaticContact CD2-CZ 3.74Å; F302-F304 HydrophobicContact CD2-CZ 3.74Å; F302-F304 AromaticContact CE2-CE2 3.85Å; F302-F304 HydrophobicContact CE2-CE2 3.85Å; F302-F304 AromaticContact CE2-CZ 3.96Å; F302-F304 HydrophobicContact CE2-CZ 3.96Å; F302-L318 HydrophobicContact CE2-CB 4.24Å; F302-L318 HydrophobicContact CE2-CD1 4.07Å; F302-L318 HydrophobicContact CE2-CG 4.29Å; F302-L318 HydrophobicContact CZ-CB 4.37Å
303F93.1Very high90.9Very high7 Ų739 Ų393%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-147.1163.3173.464.5-93.8000109.3H296 M301 L305 K315 T317 L344 L367H296-F303 HydrophobicContact CB-CD1 4.42Å; H296-F303 HydrophobicContact CB-CD2 4.44Å; H296-F303 HydrophobicContact CB-CE1 3.97Å; H296-F303 HydrophobicContact CB-CE2 3.96Å; H296-F303 HydrophobicContact CB-CZ 3.7Å; H296-F303 AromaticContact CG-CE1 3.91Å; H296-F303 AromaticContact CG-CZ 3.84Å; H296-F303 PolarHBondContact N-O 2.88Å; H296-F303 AromaticContact ND1-CE1 3.2Å; H296-F303 WeakPolarHBondContact ND1-CE1 3.35Å; H296-F303 AromaticContact ND1-CZ 3.51Å; H296-F303 PolarHBondContact O-N 3.06Å; M301-F303 HydrophobicContact CE-CD1 4.32Å; F303-L305 HydrophobicContact CD2-CD2 4.22Å; F303-L305 HydrophobicContact CD2-CG 4.38Å; F303-L305 HydrophobicContact CE2-CD2 4.1Å; F303-L305 HydrophobicContact CE2-CG 4.08Å; F303-K315 HydrophobicContact CB-CG 4.38Å; F303-K315 HydrophobicContact CD2-CG 4.25Å; F303-T317 HydrophobicContact CB-CG2 3.95Å; F303-L344 HydrophobicContact CE2-CD1 4.42Å; F303-L367 HydrophobicContact CE1-CD2 4.14Å; F303-L367 HydrophobicContact CZ-CD2 4.04Å
304F95.3Very high90.9Very high0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-119.9139.6177.6-45.6-85.9000109.5I239 V241 L252 A294 F302 V306 K315 L316 L318I239-F304 HydrophobicContact CG2-CD1 3.58Å; I239-F304 HydrophobicContact CG2-CE1 3.85Å; I239-F304 HydrophobicContact CG2-CG 4.4Å; V241-F304 HydrophobicContact CB-CZ 4.36Å; V241-F304 HydrophobicContact CG1-CZ 4.32Å; V241-F304 HydrophobicContact CG2-CZ 4.06Å; L252-F304 HydrophobicContact CD1-CD2 3.81Å; L252-F304 HydrophobicContact CD1-CE2 3.79Å; L252-F304 HydrophobicContact CD1-CG 4.21Å; L252-F304 HydrophobicContact CD1-CZ 4.17Å; A294-F304 CarbonylContact O-C 3.57Å; A294-F304 WeakPolarHBondContact O-CA 3.46Å; F302-F304 AromaticContact CD2-CE2 3.79Å; F302-F304 HydrophobicContact CD2-CE2 3.79Å; F302-F304 AromaticContact CD2-CZ 3.74Å; F302-F304 HydrophobicContact CD2-CZ 3.74Å; F302-F304 AromaticContact CE2-CE2 3.85Å; F302-F304 HydrophobicContact CE2-CE2 3.85Å; F302-F304 AromaticContact CE2-CZ 3.96Å; F302-F304 HydrophobicContact CE2-CZ 3.96Å; F304-V306 HydrophobicContact CB-CG2 4.34Å; F304-K315 CarbonylContact O-C 3.58Å; F304-K315 WeakPolarHBondContact O-CA 3.32Å; F304-L316 HydrophobicContact CB-CB 4.24Å; F304-L316 HydrophobicContact CD2-CB 4.48Å; F304-L316 HydrophobicContact CD2-CD2 4.06Å; F304-L316 PolarHBondContact N-O 2.82Å; F304-L316 PolarHBondContact O-N 3.11Å; F304-L318 HydrophobicContact CE2-CD1 4.17Å; F304-L318 HydrophobicContact CE2-CG 4.28Å
305L95.8Very high91Very high1 Ų137.6 Ų37.61%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-101.2124.2165-63.1-175.1000107.9S293 A294 F303 V313 F314 K315 F333 M342 L344 L350S293-L305 CarbonylContact C-O 3.55Å; S293-L305 WeakPolarHBondContact CA-O 3.28Å; A294-L305 PolarHBondContact N-O 2.86Å; A294-L305 PolarHBondContact O-N 3.27Å; F303-L305 HydrophobicContact CD2-CD2 4.22Å; F303-L305 HydrophobicContact CD2-CG 4.38Å; F303-L305 HydrophobicContact CE2-CD2 4.1Å; F303-L305 HydrophobicContact CE2-CG 4.08Å; L305-V313 HydrophobicContact CB-CG1 3.88Å; L305-V313 HydrophobicContact CD1-CG1 4.4Å; L305-V313 HydrophobicContact CD2-CG1 4.16Å; L305-V313 HydrophobicContact CG-CG1 4.37Å; L305-F314 CarbonylContact C-O 3.57Å; L305-F314 WeakPolarHBondContact CA-O 3.38Å; L305-K315 HydrophobicContact CD2-CB 4.15Å; L305-K315 HydrophobicContact CD2-CG 4.45Å; L305-F333 HydrophobicContact CD1-CE1 4.46Å; L305-F333 HydrophobicContact CD2-CD1 4.25Å; L305-F333 HydrophobicContact CD2-CG 4.22Å; L305-M342 HydrophobicContact CB-CE 4.37Å; L305-M342 WeakPolarHBondContact O-CE 3.47Å; L305-L344 HydrophobicContact CD1-CD1 3.93Å; L305-L344 HydrophobicContact CD1-CD2 3.94Å; L305-L344 HydrophobicContact CD1-CG 4.37Å; L305-L344 HydrophobicContact CG-CD1 4.14Å; L305-L350 HydrophobicContact CD1-CD2 4.17Å
306V96.1Very high91.1Very high1 Ų133.8 Ų33.81%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-121.9123.2-175.4-177.60000108.1I239 I259 V290 F304 V313 F314 L316I239-V306 HydrophobicContact CD1-CG2 3.95Å; I259-V306 HydrophobicContact CD1-CG1 4.3Å; V290-V306 HydrophobicContact CB-CG1 3.97Å; V290-V306 HydrophobicContact CG1-CG1 3.32Å; V290-V306 HydrophobicContact CG2-CG1 3.38Å; F304-V306 HydrophobicContact CB-CG2 4.34Å; V306-V313 CarbonylContact O-C 3.59Å; V306-V313 WeakPolarHBondContact O-CA 3.36Å; V306-F314 PolarHBondContact N-O 2.79Å; V306-F314 PolarHBondContact O-N 2.88Å; V306-L316 HydrophobicContact CG2-CB 4.38Å
307Q96.6Very high91.4Very high0 Ų032.7 Ų32.70%017%0.166CC..EExtended strand (participates in β ladder)trans-103134.4-178.6-165.9-177.23500111.3V290 V291 C292 G311 D312 V313 L336 P337 M342V290-Q307 CarbonylContact C-O 3.37Å; V290-Q307 WeakPolarHBondContact CA-O 3.47Å; V291-Q307 HydrophobicContact CG2-CB 4.07Å; V291-Q307 HydrophobicContact CG2-CG 4.16Å; V291-Q307 WeakPolarHBondContact CG2-O 3.34Å; V291-Q307 PolarHBondContact N-O 2.96Å; C292-Q307 PolarHBondContact O-N 3.34Å; C292-Q307 PolarHBondContact SG-OE1 3.13Å; Q307-G311 PolarHBondContact NE2-O 2.88Å; Q307-D312 CarbonylContact C-O 3.58Å; Q307-D312 WeakPolarHBondContact CA-O 3.46Å; Q307-V313 HydrophobicContact CB-CG2 4.38Å; Q307-V313 HydrophobicContact CG-CG2 4.09Å; Q307-L336 PolarHBondContact NE2-O 3.11Å; Q307-P337 PolarHBondContact NE2-O 3.02Å; Q307-M342 HydrophobicContact CB-CE 3.82Å; Q307-M342 HydrophobicContact CB-SD 4.21Å
308T94.4Very high91.7Very high6 Ų629.2 Ų29.24%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-87.4168.8173.268.70000112.4L289 Q310 G311 D312 F314L289-T308 WeakPolarHBondContact O-CA 3.45Å; T308-Q310 PolarHBondContact O-N 3.32Å; T308-Q310 VanDerWaalsContact O-N 3.11Å; T308-G311 PolarHBondContact O-N 2.62Å; T308-D312 PolarHBondContact N-O 2.93Å; T308-D312 PolarHBondContact OG1-N 2.86Å; T308-F314 HydrophobicContact CG2-CD2 3.93Å; T308-F314 HydrophobicContact CG2-CE2 3.55Å
309E91.2Very high92.1Very high34 Ų3430.7 Ų30.716%0.15916%0.155CC..THydrogen-bonded Turntrans-64.5-8.9176.158.2158.8-172.800116.1R286 L289 V291 R834R286-E309 IonicContact CZ-OE1 3.04Å; R286-E309 IonicContact CZ-OE2 3.7Å; R286-E309 IonicContact NE-OE1 3.97Å; R286-E309 PolarHBondContact NE-OE1 3.47Å; R286-E309 IonicContact NE-OE2 2.69Å; R286-E309 IonicContact NH2-OE1 2.63Å; R286-E309 PolarHBondContact NH2-OE1 3.35Å; R286-E309 IonicContact NH2-OE2 3.88Å; R286-E309 PolarHBondContact NH2-OE2 3.1Å; L289-E309 PolarHBondContact O-N 3.49Å; L289-E309 VanDerWaalsContact O-N 3.11Å; V291-E309 HydrophobicContact CG1-CB 4.03Å; E309-R834 PolarHBondContact O-NH2 2.92Å; E309-R834 IonicContact OE2-CZ 3.91Å; E309-R834 IonicContact OE2-NH1 2.68Å; E309-R834 PolarHBondContact OE2-NH1 3.33Å; E309-R834 IonicContact OE2-NH2 2.63Å
310Q88.6Confident92.6Very high41 Ų4123.5 Ų23.519%0.19213%0.13CC..THydrogen-bonded Turntrans-93-5.7170.7-71.7177.3-23.100112.7R277 E282 T308 D312R277-Q310 PolarHBondContact NH2-O 2.87Å; E282-Q310 PolarHBondContact OE1-NE2 2.78Å; E282-Q310 PolarHBondContact OE2-NE2 3.33Å; E282-Q310 VanDerWaalsContact OE2-NE2 3.1Å; T308-Q310 PolarHBondContact O-N 3.32Å; T308-Q310 VanDerWaalsContact O-N 3.11Å; Q310-D312 PolarHBondContact OE1-OD2 2.78Å
311G92.2Very high92.8Very high0 Ų022.3 Ų22.30%012%0.118CC..  trans91.73.5-177.100000114.5Q307 T308 V313 L336Q307-G311 PolarHBondContact NE2-O 2.88Å; T308-G311 PolarHBondContact O-N 2.62Å; G311-V313 PolarHBondContact O-N 2.88Å; G311-L336 CarbonylContact C-O 3.51Å; G311-L336 WeakPolarHBondContact CA-O 3.44Å; G311-L336 PolarHBondContact O-N 3.12Å
312D94.1Very high92.5Very high2 Ų227.6 Ų27.61%0.01114%0.141CC..EExtended strand (participates in β ladder)trans-74.6124179.1-58.3-43.4000110.5R277 Q307 T308 Q310 F314 Y332 T335 F392R277-D312 IonicContact CZ-OD1 3.77Å; R277-D312 IonicContact CZ-OD2 2.86Å; R277-D312 IonicContact NE-OD1 2.85Å; R277-D312 PolarHBondContact NE-OD1 2.79Å; R277-D312 IonicContact NE-OD2 3.72Å; R277-D312 PolarHBondContact NE-OD2 2.98Å; R277-D312 VanDerWaalsContact NH2-CG 3.33Å; R277-D312 IonicContact NH2-OD1 3.73Å; R277-D312 PolarHBondContact NH2-OD1 3.45Å; R277-D312 IonicContact NH2-OD2 3.95Å; R277-D312 PolarHBondContact NH2-OD2 2.85Å; Q307-D312 CarbonylContact C-O 3.58Å; Q307-D312 WeakPolarHBondContact CA-O 3.46Å; T308-D312 PolarHBondContact N-O 2.93Å; T308-D312 PolarHBondContact OG1-N 2.86Å; Q310-D312 PolarHBondContact OE1-OD2 2.78Å; D312-F314 HydrophobicContact CB-CE2 3.77Å; D312-F314 HydrophobicContact CB-CZ 4.23Å; D312-Y332 HydrophobicContact CB-CD2 4.49Å; D312-Y332 HydrophobicContact CB-CE2 4.19Å; D312-T335 WeakPolarHBondContact OD1-CG2 3.35Å; D312-T335 PolarHBondContact OD1-OG1 2.76Å; D312-F392 HydrophobicContact CB-CZ 4.1Å
313V95.4Very high92Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-96.5125.7177.5-176.30000108.4L305 V306 Q307 G311 F333 D334 L336L305-V313 HydrophobicContact CB-CG1 3.88Å; L305-V313 HydrophobicContact CD1-CG1 4.4Å; L305-V313 HydrophobicContact CD2-CG1 4.16Å; L305-V313 HydrophobicContact CG-CG1 4.37Å; V306-V313 CarbonylContact O-C 3.59Å; V306-V313 WeakPolarHBondContact O-CA 3.36Å; Q307-V313 HydrophobicContact CB-CG2 4.38Å; Q307-V313 HydrophobicContact CG-CG2 4.09Å; G311-V313 PolarHBondContact O-N 2.88Å; V313-F333 HydrophobicContact CG1-CB 4.3Å; V313-F333 HydrophobicContact CG1-CD1 4.26Å; V313-F333 WeakPolarHBondContact O-CA 3.49Å; V313-F333 VanDerWaalsContact O-CB 3.3Å; V313-F333 WeakPolarHBondContact O-CB 3.17Å; V313-F333 PolarHBondContact O-N 2.86Å; V313-D334 WeakPolarHBondContact CA-O 3.29Å; V313-D334 WeakPolarHBondContact CB-O 3.39Å; V313-D334 PolarHBondContact N-O 2.77Å; V313-D334 PolarHBondContact O-N 3.01Å; V313-L336 HydrophobicContact CG2-CB 4.3Å; V313-L336 HydrophobicContact CG2-CD1 3.8Å; V313-L336 HydrophobicContact CG2-CG 3.97Å
314F95.1Very high91.8Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-110.3136.3174.1-65.7-86.5000110.2P275 L305 V306 T308 D312 I330 K331 Y332 F392P275-F314 HydrophobicContact CB-CE1 3.81Å; P275-F314 HydrophobicContact CB-CZ 4.07Å; P275-F314 HydrophobicContact CG-CD1 4.26Å; P275-F314 HydrophobicContact CG-CE1 3.73Å; P275-F314 HydrophobicContact CG-CZ 4.29Å; L305-F314 CarbonylContact C-O 3.57Å; L305-F314 WeakPolarHBondContact CA-O 3.38Å; V306-F314 PolarHBondContact N-O 2.79Å; V306-F314 PolarHBondContact O-N 2.88Å; T308-F314 HydrophobicContact CG2-CD2 3.93Å; T308-F314 HydrophobicContact CG2-CE2 3.55Å; D312-F314 HydrophobicContact CB-CE2 3.77Å; D312-F314 HydrophobicContact CB-CZ 4.23Å; F314-I330 HydrophobicContact CB-CD1 3.77Å; F314-I330 HydrophobicContact CB-CG1 3.62Å; F314-I330 HydrophobicContact CD1-CD1 4.13Å; F314-I330 HydrophobicContact CD1-CG1 3.93Å; F314-I330 HydrophobicContact CG-CD1 3.93Å; F314-I330 HydrophobicContact CG-CG1 4Å; F314-K331 CarbonylContact C-O 3.5Å; F314-K331 VanDerWaalsContact CA-O 3.32Å; F314-K331 WeakPolarHBondContact CA-O 3.42Å; F314-Y332 HydrophobicContact CE1-CD2 4.27Å; F314-F392 HydrophobicContact CE1-CD1 4.23Å; F314-F392 HydrophobicContact CE1-CE1 4.13Å; F314-F392 HydrophobicContact CE1-CZ 4.43Å; F314-F392 HydrophobicContact CZ-CD1 4.1Å; F314-F392 AromaticContact CZ-CE1 3.56Å; F314-F392 HydrophobicContact CZ-CE1 3.56Å; F314-F392 AromaticContact CZ-CZ 3.82Å; F314-F392 HydrophobicContact CZ-CZ 3.82Å
315K95.2Very high91.6Very high5 Ų536.2 Ų36.22%0.02219%0.188CC..EExtended strand (participates in β ladder)trans-84.6119166.5-176.3-177.1179.2-177.40108.5F303 F304 L305 T317 I330 K331 F333 L367 D369F303-K315 HydrophobicContact CB-CG 4.38Å; F303-K315 HydrophobicContact CD2-CG 4.25Å; F304-K315 CarbonylContact O-C 3.58Å; F304-K315 WeakPolarHBondContact O-CA 3.32Å; L305-K315 HydrophobicContact CD2-CB 4.15Å; L305-K315 HydrophobicContact CD2-CG 4.45Å; K315-T317 HydrophobicContact CG-CG2 4.44Å; K315-I330 WeakPolarHBondContact O-CA 3.47Å; K315-K331 PolarHBondContact N-O 3.34Å; K315-K331 PolarHBondContact O-N 3.32Å; K315-F333 HydrophobicContact CB-CB 4.43Å; K315-F333 HydrophobicContact CB-CD2 4.41Å; K315-L367 WeakPolarHBondContact CD-O 3.39Å; K315-L367 PolarHBondContact NZ-O 3.05Å; K315-D369 IonicContact NZ-OD1 3.58Å; K315-D369 PolarHBondContact NZ-OD1 3.11Å; K315-D369 IonicContact NZ-OD2 3.57Å; K315-D369 PolarHBondContact NZ-OD2 3.35Å
316L94.7Very high91.4Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-107.3127.5176.1-171.688.2000109.5L252 I259 I272 F304 V306 M328 K329 I330L252-L316 HydrophobicContact CD1-CD2 3.41Å; L252-L316 VanDerWaalsContact CD1-CD2 3.41Å; L252-L316 HydrophobicContact CD2-CD2 4.16Å; L252-L316 HydrophobicContact CG-CD2 4.38Å; I259-L316 HydrophobicContact CD1-CD1 4.33Å; I272-L316 HydrophobicContact CG2-CD1 4.47Å; F304-L316 HydrophobicContact CB-CB 4.24Å; F304-L316 HydrophobicContact CD2-CB 4.48Å; F304-L316 HydrophobicContact CD2-CD2 4.06Å; F304-L316 PolarHBondContact N-O 2.82Å; F304-L316 PolarHBondContact O-N 3.11Å; V306-L316 HydrophobicContact CG2-CB 4.38Å; L316-M328 HydrophobicContact CD1-CE 3.88Å; L316-M328 HydrophobicContact CD2-CE 3.97Å; L316-M328 HydrophobicContact CG-CE 4.38Å; L316-K329 WeakPolarHBondContact CA-O 3.44Å; L316-I330 HydrophobicContact CD1-CB 4.07Å; L316-I330 HydrophobicContact CD1-CD1 4.33Å; L316-I330 HydrophobicContact CD1-CG1 4.24Å
317T94.3Very high91.2Very high23 Ų2340.7 Ų40.714%0.14121%0.213CC..EExtended strand (participates in β ladder)trans-124.9149.1176.847.90000109.8F303 K315 K329F303-T317 HydrophobicContact CB-CG2 3.95Å; K315-T317 HydrophobicContact CG-CG2 4.44Å; T317-K329 PolarHBondContact N-O 3.34Å; T317-K329 PolarHBondContact O-N 2.92Å; T317-K329 WeakPolarHBondContact OG1-CB 3.47Å
318L93Very high91.1Very high18 Ų1840.7 Ų40.79%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-115.6125.9178-58-178.1000108.4V241 L252 Y261 F302 F304 V325 M328V241-L318 HydrophobicContact CG1-CD1 3.73Å; V241-L318 HydrophobicContact CG2-CD1 3.93Å; L252-L318 HydrophobicContact CD2-CD2 4.25Å; Y261-L318 HydrophobicContact CD2-CD1 4.35Å; Y261-L318 HydrophobicContact CE2-CD1 4.35Å; F302-L318 HydrophobicContact CE2-CB 4.24Å; F302-L318 HydrophobicContact CE2-CD1 4.07Å; F302-L318 HydrophobicContact CE2-CG 4.29Å; F302-L318 HydrophobicContact CZ-CB 4.37Å; F304-L318 HydrophobicContact CE2-CD1 4.17Å; F304-L318 HydrophobicContact CE2-CG 4.28Å; L318-V325 HydrophobicContact CB-CG1 4.32Å; L318-V325 HydrophobicContact CD2-CG1 4.41Å; L318-M328 HydrophobicContact CD2-CB 4.32Å; L318-M328 HydrophobicContact CD2-CE 4.35Å; L318-M328 HydrophobicContact CD2-CG 3.61Å; L318-M328 HydrophobicContact CD2-SD 4.48Å
319E91.6Very high91Very high82 Ų8242 Ų4238%0.38322%0.218SC..EExtended strand (participates in β ladder)trans-92.4132.7172-68.8-77.7-174.900109.1V325 T326 E327 K329E319-V325 WeakPolarHBondContact O-CA 3.45Å; E319-T326 PolarHBondContact O-N 2.89Å; E319-T326 PolarHBondContact O-OG1 2.86Å; E319-E327 HydrophobicContact CB-CG 3.64Å; E319-E327 HydrophobicContact CG-CG 3.84Å; E319-E327 PolarHBondContact N-O 3.47Å; E319-E327 VanDerWaalsContact N-O 3.08Å; E319-K329 HydrophobicContact CG-CD 4.01Å; E319-K329 IonicContact OE1-NZ 3.93Å; E319-K329 PolarHBondContact OE1-NZ 3.13Å
320T87.9Confident91.2Very high65 Ų6540.4 Ų40.440%0.39921%0.211SC..EExtended strand (participates in β ladder)trans-123139.1-177.4590000111.6P248 I324 V325P248-T320 HydrophobicContact CB-CG2 4.11Å; P248-T320 HydrophobicContact CG-CG2 3.81Å; T320-I324 CarbonylContact C-O 3.56Å; T320-I324 WeakPolarHBondContact CA-O 3.31Å; T320-V325 HydrophobicContact CG2-CG2 3.93Å
321V86.2Confident91.4Very high86 Ų8639.3 Ų39.352%0.52121%0.205SC..EExtended strand (participates in β ladder)trans-126.9120.2171.5179.30000107.3D323 I324 T326V321-D323 VanDerWaalsContact C-N 3.29Å; V321-D323 PolarHBondContact O-N 2.8Å; V321-I324 PolarHBondContact N-O 2.96Å; V321-I324 PolarHBondContact O-N 3.02Å; V321-T326 HydrophobicContact CB-CG2 3.74Å; V321-T326 HydrophobicContact CG2-CG2 3.58Å
322E81.1Confident91.5Very high181 Ų18139.6 Ų39.685%0.84621%0.207SC*.THydrogen-bonded Turntrans51.245.1179.2-58.9-176.8174.500113.4I324E322-I324 PolarHBondContact O-N 3.35Å; E322-I324 VanDerWaalsContact O-N 3.17Å
323D80.2Confident91.5Very high131 Ų13139.8 Ų39.870%0.70121%0.208SC*.THydrogen-bonded Turntrans68.1-0.9-177.3-56.3-34.8000116.2V321V321-D323 VanDerWaalsContact C-N 3.29Å; V321-D323 PolarHBondContact O-N 2.8Å
324I88.7Confident91.4Very high81 Ų8139.8 Ų39.842%0.41521%0.208SC..EExtended strand (participates in β ladder)trans-94.8131.2173-59.6176.1000108.6T320 V321 E322 T326T320-I324 CarbonylContact C-O 3.56Å; T320-I324 WeakPolarHBondContact CA-O 3.31Å; V321-I324 PolarHBondContact N-O 2.96Å; V321-I324 PolarHBondContact O-N 3.02Å; E322-I324 PolarHBondContact O-N 3.35Å; E322-I324 VanDerWaalsContact O-N 3.17Å; I324-T326 PolarHBondContact O-N 3.31Å
325V91.7Very high91.4Very high3 Ų340.3 Ų40.32%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-73.5127.7173-179.80000108.1P248 Y261 Q267 I270 L318 E319 T320P248-V325 HydrophobicContact CB-CG2 3.92Å; P248-V325 HydrophobicContact CG-CG2 3.61Å; Y261-V325 HydrophobicContact CD1-CB 3.88Å; Y261-V325 HydrophobicContact CD1-CG1 4.07Å; Y261-V325 HydrophobicContact CD1-CG2 4Å; Y261-V325 HydrophobicContact CE1-CB 3.47Å; Y261-V325 VanDerWaalsContact CE1-CB 3.47Å; Y261-V325 HydrophobicContact CE1-CG1 4.14Å; Y261-V325 HydrophobicContact CE1-CG2 3.25Å; Y261-V325 HydrophobicContact CE2-CG2 4.31Å; Y261-V325 VanDerWaalsContact CZ-CG2 3.43Å; Y261-V325 WeakPolarHBondContact OH-CG2 3.49Å; Q267-V325 PolarHBondContact NE2-O 2.81Å; I270-V325 HydrophobicContact CD1-CB 4.15Å; I270-V325 HydrophobicContact CD1-CG1 3.82Å; I270-V325 WeakPolarHBondContact CD1-O 3.45Å; L318-V325 HydrophobicContact CB-CG1 4.32Å; L318-V325 HydrophobicContact CD2-CG1 4.41Å; E319-V325 WeakPolarHBondContact O-CA 3.45Å; T320-V325 HydrophobicContact CG2-CG2 3.93Å
326T90.8Very high91.3Very high61 Ų6140.2 Ų40.237%0.37421%0.21SC..EExtended strand (participates in β ladder)trans-100.9-39.2-178.851.60000112.8E319 V321 I324E319-T326 PolarHBondContact O-N 2.89Å; E319-T326 PolarHBondContact O-OG1 2.86Å; V321-T326 HydrophobicContact CB-CG2 3.74Å; V321-T326 HydrophobicContact CG2-CG2 3.58Å; I324-T326 PolarHBondContact O-N 3.31Å
327E92.3Very high91.2Very high36 Ų3641.4 Ų41.417%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-148.2152179.362.8175.4172.900112E319 K329 S379 S380 L381E319-E327 HydrophobicContact CB-CG 3.64Å; E319-E327 HydrophobicContact CG-CG 3.84Å; E319-E327 PolarHBondContact N-O 3.47Å; E319-E327 VanDerWaalsContact N-O 3.08Å; E327-K329 WeakPolarHBondContact OE1-CE 3.29Å; E327-K329 IonicContact OE1-NZ 3.8Å; E327-S379 WeakPolarHBondContact OE2-CB 3.49Å; E327-S379 PolarHBondContact OE2-OG 2.79Å; E327-S380 WeakPolarHBondContact CA-OG 3.33Å; E327-L381 HydrophobicContact CB-CD1 3.99Å; E327-L381 HydrophobicContact CB-CG 3.89Å; E327-L381 HydrophobicContact CG-CD1 4.45Å; E327-L381 WeakPolarHBondContact OE2-CD1 3.46Å
328M93.8Very high91.3Very high0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-103.6132.9169-64.918059.500108.5L252 I259 Y261 I270 I272 L316 L318 S379 S380L252-M328 HydrophobicContact CD2-CE 3.57Å; L252-M328 HydrophobicContact CD2-SD 4.26Å; I259-M328 HydrophobicContact CB-CE 4.18Å; I259-M328 HydrophobicContact CG2-CE 3.75Å; Y261-M328 VanDerWaalsContact CB-SD 3.59Å; I270-M328 HydrophobicContact CB-CG 4.44Å; I270-M328 HydrophobicContact CB-SD 4.34Å; I270-M328 HydrophobicContact CG2-CB 4.32Å; I270-M328 HydrophobicContact CG2-CG 3.69Å; I270-M328 HydrophobicContact CG2-SD 3.94Å; I272-M328 HydrophobicContact CB-CB 4.4Å; I272-M328 HydrophobicContact CD1-CB 4.46Å; I272-M328 WeakPolarHBondContact CD1-O 3.31Å; I272-M328 HydrophobicContact CG2-CB 4.29Å; I272-M328 HydrophobicContact CG2-CE 3.75Å; I272-M328 HydrophobicContact CG2-SD 4.36Å; L316-M328 HydrophobicContact CD1-CE 3.88Å; L316-M328 HydrophobicContact CD2-CE 3.97Å; L316-M328 HydrophobicContact CG-CE 4.38Å; L318-M328 HydrophobicContact CD2-CB 4.32Å; L318-M328 HydrophobicContact CD2-CE 4.35Å; L318-M328 HydrophobicContact CD2-CG 3.61Å; L318-M328 HydrophobicContact CD2-SD 4.48Å; M328-S379 WeakPolarHBondContact O-CA 3.05Å; M328-S380 PolarHBondContact N-OG 2.76Å; M328-S380 PolarHBondContact O-N 2.86Å
329K93.9Very high91.4Very high33 Ų3340.9 Ų40.914%0.14322%0.216CC..EExtended strand (participates in β ladder)trans-114.3134.4175.1-70.7171.3177-179.20109.7L316 T317 E319 E327 E377 F378L316-K329 WeakPolarHBondContact CA-O 3.44Å; T317-K329 PolarHBondContact N-O 3.34Å; T317-K329 PolarHBondContact O-N 2.92Å; T317-K329 WeakPolarHBondContact OG1-CB 3.47Å; E319-K329 HydrophobicContact CG-CD 4.01Å; E319-K329 IonicContact OE1-NZ 3.93Å; E319-K329 PolarHBondContact OE1-NZ 3.13Å; E327-K329 WeakPolarHBondContact OE1-CE 3.29Å; E327-K329 IonicContact OE1-NZ 3.8Å; K329-E377 HydrophobicContact CB-CG 4.08Å; K329-E377 HydrophobicContact CD-CG 4.42Å; K329-E377 HydrophobicContact CG-CG 4.36Å; K329-F378 CarbonylContact C-O 3.48Å; K329-F378 VanDerWaalsContact CA-O 3.3Å; K329-F378 WeakPolarHBondContact CA-O 3.22Å
330I93.9Very high91.5Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-127.1126.3176.6-163.5168.7000109.6I259 I272 L274 P275 F314 K315 L316 F378I259-I330 HydrophobicContact CD1-CD1 4.25Å; I272-I330 HydrophobicContact CD1-CB 3.95Å; I272-I330 HydrophobicContact CD1-CG2 3.44Å; I272-I330 VanDerWaalsContact CD1-CG2 3.44Å; I272-I330 HydrophobicContact CG1-CG2 4.09Å; L274-I330 HydrophobicContact CD2-CD1 4.26Å; P275-I330 HydrophobicContact CG-CG2 3.92Å; F314-I330 HydrophobicContact CB-CD1 3.77Å; F314-I330 HydrophobicContact CB-CG1 3.62Å; F314-I330 HydrophobicContact CD1-CD1 4.13Å; F314-I330 HydrophobicContact CD1-CG1 3.93Å; F314-I330 HydrophobicContact CG-CD1 3.93Å; F314-I330 HydrophobicContact CG-CG1 4Å; K315-I330 WeakPolarHBondContact O-CA 3.47Å; L316-I330 HydrophobicContact CD1-CB 4.07Å; L316-I330 HydrophobicContact CD1-CD1 4.33Å; L316-I330 HydrophobicContact CD1-CG1 4.24Å; I330-F378 HydrophobicContact CG2-CB 3.87Å; I330-F378 HydrophobicContact CG2-CD2 4.32Å; I330-F378 PolarHBondContact N-O 3.42Å; I330-F378 PolarHBondContact O-N 2.97Å
331K93.3Very high91.9Very high18 Ų1838.1 Ų38.18%0.07820%0.203CC..EExtended strand (participates in β ladder)trans-127.2135.4178.8-170.8175.9177.6-179.60109F314 K315 F333 G368 D373 E375 E377F314-K331 CarbonylContact C-O 3.5Å; F314-K331 VanDerWaalsContact CA-O 3.32Å; F314-K331 WeakPolarHBondContact CA-O 3.42Å; K315-K331 PolarHBondContact N-O 3.34Å; K315-K331 PolarHBondContact O-N 3.32Å; K331-F333 PolarHBondContact O-N 2.68Å; K331-G368 WeakPolarHBondContact CE-O 3.12Å; K331-G368 PolarHBondContact NZ-O 3.31Å; K331-D373 VanDerWaalsContact NZ-CB 3.3Å; K331-D373 IonicContact NZ-OD2 3.56Å; K331-D373 PolarHBondContact NZ-OD2 3.38Å; K331-E375 HydrophobicContact CG-CB 4.46Å; K331-E377 HydrophobicContact CB-CG 4.48Å
332Y94.1Very high92.3Very high7 Ų734.4 Ų34.43%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-64.5134.7173.6171.9-116.6000109.4D312 F314 T335 E375 F392 R395D312-Y332 HydrophobicContact CB-CD2 4.49Å; D312-Y332 HydrophobicContact CB-CE2 4.19Å; F314-Y332 HydrophobicContact CE1-CD2 4.27Å; Y332-T335 PolarHBondContact OH-N 2.88Å; Y332-T335 PolarHBondContact OH-OG1 2.85Å; Y332-E375 VanDerWaalsContact CD1-OE1 3.29Å; Y332-E375 WeakPolarHBondContact CD1-OE1 3.48Å; Y332-F392 AromaticContact CD1-CD2 3.78Å; Y332-F392 HydrophobicContact CD1-CD2 3.78Å; Y332-F392 HydrophobicContact CD1-CE2 4.12Å; Y332-F392 AromaticContact CD2-CD2 3.74Å; Y332-F392 HydrophobicContact CD2-CD2 3.74Å; Y332-F392 AromaticContact CD2-CE2 3.39Å; Y332-F392 HydrophobicContact CD2-CE2 3.39Å; Y332-F392 HydrophobicContact CD2-CZ 4.13Å; Y332-F392 HydrophobicContact CE1-CD2 4.16Å; Y332-F392 HydrophobicContact CE1-CE2 4.18Å; Y332-F392 HydrophobicContact CE2-CD2 4.15Å; Y332-F392 AromaticContact CE2-CE2 3.48Å; Y332-F392 HydrophobicContact CE2-CE2 3.48Å; Y332-F392 VanDerWaalsContact CE2-CE2 3.48Å; Y332-F392 HydrophobicContact CE2-CZ 4.29Å; Y332-F392 AromaticContact CG-CD2 3.54Å; Y332-F392 HydrophobicContact CG-CD2 3.54Å; Y332-F392 AromaticContact CG-CE2 3.73Å; Y332-F392 HydrophobicContact CG-CE2 3.73Å; Y332-F392 HydrophobicContact CG-CG 4.42Å; Y332-F392 AromaticContact CZ-CE2 3.89Å; Y332-R395 HydrophobicContact CE1-CG 4.09Å; Y332-R395 PolarHBondContact OH-N 3.4Å
333F93.3Very high92.9Very high6 Ų626.2 Ų26.23%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-109.3-59.3-173.4-172.9-105.9000111.7L305 V313 K315 K331 R395 N399 L400L305-F333 HydrophobicContact CD1-CE1 4.46Å; L305-F333 HydrophobicContact CD2-CD1 4.25Å; L305-F333 HydrophobicContact CD2-CG 4.22Å; V313-F333 HydrophobicContact CG1-CB 4.3Å; V313-F333 HydrophobicContact CG1-CD1 4.26Å; V313-F333 WeakPolarHBondContact O-CA 3.49Å; V313-F333 VanDerWaalsContact O-CB 3.3Å; V313-F333 WeakPolarHBondContact O-CB 3.17Å; V313-F333 PolarHBondContact O-N 2.86Å; K315-F333 HydrophobicContact CB-CB 4.43Å; K315-F333 HydrophobicContact CB-CD2 4.41Å; K331-F333 PolarHBondContact O-N 2.68Å; F333-R395 PolarHBondContact O-NH1 2.94Å; F333-R395 PolarHBondContact O-NH2 3.36Å; F333-N399 HydrophobicContact CD1-CB 4.43Å; F333-N399 HydrophobicContact CD2-CB 4.1Å; F333-N399 HydrophobicContact CE1-CB 3.94Å; F333-N399 HydrophobicContact CE2-CB 3.55Å; F333-N399 HydrophobicContact CZ-CB 3.46Å; F333-N399 VanDerWaalsContact CZ-CB 3.46Å; F333-N399 PolarHBondContact O-ND2 2.88Å; F333-L400 HydrophobicContact CD1-CD1 4.35Å; F333-L400 HydrophobicContact CE1-CD1 3.9Å; F333-L400 HydrophobicContact CE1-CD2 3.88Å; F333-L400 HydrophobicContact CE1-CG 3.72Å; F333-L400 HydrophobicContact CZ-CD2 4.35Å; F333-L400 HydrophobicContact CZ-CG 4.44Å
334D94.2Very high93.5Very high0 Ų021.4 Ų21.40%012%0.117CC..EExtended strand (participates in β ladder)trans-166.7166.7175.3-92-32.9000108.4V313 R395 L397 R398 N399 L400V313-D334 WeakPolarHBondContact CA-O 3.29Å; V313-D334 WeakPolarHBondContact CB-O 3.39Å; V313-D334 PolarHBondContact N-O 2.77Å; V313-D334 PolarHBondContact O-N 3.01Å; D334-R395 IonicContact OD1-CZ 2.69Å; D334-R395 IonicContact OD1-NH1 3.32Å; D334-R395 PolarHBondContact OD1-NH1 2.91Å; D334-R395 IonicContact OD1-NH2 3.96Å; D334-L397 HydrophobicContact CB-CD2 3.83Å; D334-L397 WeakPolarHBondContact OD1-CA 3.35Å; D334-R398 PolarHBondContact OD1-N 3.08Å; D334-R398 VanDerWaalsContact OD1-N 3.11Å; D334-N399 WeakPolarHBondContact OD2-CA 3.42Å; D334-N399 WeakPolarHBondContact OD2-CB 3.48Å; D334-N399 PolarHBondContact OD2-N 3.11Å; D334-N399 VanDerWaalsContact OD2-N 3.07Å; D334-L400 HydrophobicContact CB-CD1 4.11Å; D334-L400 WeakPolarHBondContact OD2-CB 3.33Å; D334-L400 WeakPolarHBondContact OD2-CG 3.14Å; D334-L400 PolarHBondContact OD2-N 3.19Å
335T94.2Very high93.5Very high11 Ų1117.8 Ų17.87%0.06710%0.098CC..EExtended strand (participates in β ladder)trans-106.2124.9171.5-590000109.7D312 Y332 F830D312-T335 WeakPolarHBondContact OD1-CG2 3.35Å; D312-T335 PolarHBondContact OD1-OG1 2.76Å; Y332-T335 PolarHBondContact OH-N 2.88Å; Y332-T335 PolarHBondContact OH-OG1 2.85Å; T335-F830 HydrophobicContact CG2-CD1 3.96Å
336L94.2Very high93.1Very high2 Ų224.5 Ų24.51%0.0113%0.127CC..  trans-125.8160.2-178.5-54.8178000109.8Q307 G311 V313 V338 L350 I352 Y362 L397 L400Q307-L336 PolarHBondContact NE2-O 3.11Å; G311-L336 CarbonylContact C-O 3.51Å; G311-L336 WeakPolarHBondContact CA-O 3.44Å; G311-L336 PolarHBondContact O-N 3.12Å; V313-L336 HydrophobicContact CG2-CB 4.3Å; V313-L336 HydrophobicContact CG2-CD1 3.8Å; V313-L336 HydrophobicContact CG2-CG 3.97Å; L336-V338 PolarHBondContact O-N 3.22Å; L336-L350 HydrophobicContact CD1-CD2 3.97Å; L336-I352 HydrophobicContact CD1-CD1 3.72Å; L336-I352 HydrophobicContact CD1-CG1 3.85Å; L336-Y362 HydrophobicContact CD1-CD2 4.46Å; L336-Y362 HydrophobicContact CD1-CE2 4.34Å; L336-Y362 HydrophobicContact CD2-CD1 4.44Å; L336-Y362 HydrophobicContact CD2-CD2 4.28Å; L336-Y362 HydrophobicContact CD2-CE1 3.97Å; L336-Y362 HydrophobicContact CD2-CE2 3.76Å; L336-L397 HydrophobicContact CD2-CD2 3.78Å; L336-L400 HydrophobicContact CD1-CD1 3.67Å; L336-L400 HydrophobicContact CD2-CD1 3.8Å; L336-L400 HydrophobicContact CG-CD1 4.18Å
337P93.1Very high92.7Very high25 Ų2524.6 Ų24.616%0.16213%0.128CC..  trans-54.3140.4170.4-27.738000111.7Q307 A339 A354 Y360Q307-P337 PolarHBondContact NE2-O 3.02Å; P337-A339 PolarHBondContact O-N 3.25Å; P337-A354 HydrophobicContact CB-CB 4.37Å; P337-Y360 HydrophobicContact CB-CE2 4.24Å; P337-Y360 HydrophobicContact CG-CD2 3.98Å; P337-Y360 HydrophobicContact CG-CE2 3.59Å
338V94.9Very high92.5Very high28 Ų2824.1 Ų24.117%0.1713%0.133CC..  trans-56.1126.7-179.8-178.80000109.6V291 L336 A354 E355V291-V338 HydrophobicContact CG1-CG1 4.46Å; V291-V338 HydrophobicContact CG2-CG1 4.14Å; L336-V338 PolarHBondContact O-N 3.22Å; V338-A354 CarbonylContact O-C 3.57Å; V338-A354 VanDerWaalsContact O-CA 3.31Å; V338-A354 WeakPolarHBondContact O-CA 2.98Å; V338-E355 HydrophobicContact CB-CG 4.1Å; V338-E355 HydrophobicContact CG1-CG 4.03Å; V338-E355 WeakPolarHBondContact O-CG 3.33Å; V338-E355 PolarHBondContact O-N 3.31Å
339A95.5Very high92.4Very high2 Ų224.8 Ų24.82%0.01714%0.135CC..EExtended strand (participates in β ladder)trans-118.9145.3-17300000113.9C292 P337 M342 I352 A353C292-A339 PolarHBondContact SG-O 3.17Å; P337-A339 PolarHBondContact O-N 3.25Å; A339-M342 HydrophobicContact CB-CG 4.36Å; A339-I352 HydrophobicContact CB-CG2 3.73Å; A339-A353 CarbonylContact C-O 3.55Å; A339-A353 VanDerWaalsContact CA-O 3.29Å; A339-A353 WeakPolarHBondContact CA-O 3.08Å; A339-A353 WeakPolarHBondContact CB-O 3.42Å
340N95.1Very high92.4Very high65 Ų6523.2 Ų23.235%0.34813%0.129SC..EExtended strand (participates in β ladder)trans-73.9-33.9169.3-73.2-25.2000111.5I14 A353 E355I14-N340 PolarHBondContact O-ND2 2.87Å; N340-A353 PolarHBondContact N-O 3.39Å; N340-E355 WeakPolarHBondContact OD1-CB 3.43Å
341S94.9Very high92.5Very high24 Ų2423.2 Ų23.217%0.16813%0.129CC..EExtended strand (participates in β ladder)trans-151.2145.7177.8-177.10000111.5A17 A353A17-S341 PolarHBondContact O-OG 2.84Å; S341-A353 PolarHBondContact O-N 3.03Å
342M95.3Very high92.7Very high8 Ų822.3 Ų22.34%0.03913%0.125CC..EExtended strand (participates in β ladder)trans-120.2129.2174.3-66.2-167.7-69.500109.4A294 L305 Q307 A339 L350 F351 I352A294-M342 HydrophobicContact CB-CB 3.84Å; L305-M342 HydrophobicContact CB-CE 4.37Å; L305-M342 WeakPolarHBondContact O-CE 3.47Å; Q307-M342 HydrophobicContact CB-CE 3.82Å; Q307-M342 HydrophobicContact CB-SD 4.21Å; A339-M342 HydrophobicContact CB-CG 4.36Å; M342-L350 HydrophobicContact CB-CD1 4.31Å; M342-F351 WeakPolarHBondContact CA-O 3.4Å; M342-I352 HydrophobicContact CB-CD1 4.22Å; M342-I352 HydrophobicContact CG-CD1 3.56Å; M342-I352 HydrophobicContact SD-CD1 3.78Å
343C93.8Very high92.8Very high10 Ų1022 Ų227%0.06812%0.124CC..EExtended strand (participates in β ladder)trans-120.4112.4179.6-70.10000110.5F351C343-F351 HydrophobicContact CB-CB 4.21Å; C343-F351 HydrophobicContact CB-CD1 4.39Å; C343-F351 PolarHBondContact N-O 3.49Å; C343-F351 PolarHBondContact O-N 2.99Å
344L92.4Very high92.9Very high30 Ų3021.8 Ų21.816%0.15712%0.123CC..EExtended strand (participates in β ladder)trans-84.6119.5172.3-74.1163.7000109.9A294 H296 F303 L305 L350 I364A294-L344 HydrophobicContact CB-CD1 3.6Å; A294-L344 HydrophobicContact CB-CG 3.92Å; H296-L344 HydrophobicContact CB-CD1 3.68Å; F303-L344 HydrophobicContact CE2-CD1 4.42Å; L305-L344 HydrophobicContact CD1-CD1 3.93Å; L305-L344 HydrophobicContact CD1-CD2 3.94Å; L305-L344 HydrophobicContact CD1-CG 4.37Å; L305-L344 HydrophobicContact CG-CD1 4.14Å; L344-L350 HydrophobicContact CD2-CB 4.11Å; L344-L350 HydrophobicContact CD2-CD1 3.68Å; L344-L350 HydrophobicContact CD2-CG 4.36Å; L344-L350 HydrophobicContact CG-CD1 3.95Å; L344-I364 HydrophobicContact CD2-CD1 3.67Å
345L89.6Confident92.9Very high5 Ų525.1 Ų25.13%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-97.4141.8-178.1-56.7179.9000110.6V30 V43 T347 G348 F349 L361V30-L345 HydrophobicContact CG2-CD1 4.27Å; V30-L345 HydrophobicContact CG2-CD2 3.73Å; V43-L345 HydrophobicContact CG2-CD1 3.42Å; V43-L345 VanDerWaalsContact CG2-CD1 3.42Å; L345-T347 PolarHBondContact O-N 2.8Å; L345-G348 PolarHBondContact O-N 2.65Å; L345-F349 HydrophobicContact CB-CB 4.19Å; L345-F349 WeakPolarHBondContact CB-O 3.38Å; L345-F349 HydrophobicContact CD1-CB 4.04Å; L345-F349 HydrophobicContact CG-CB 4.48Å; L345-F349 PolarHBondContact N-O 2.88Å; L345-L361 HydrophobicContact CD1-CD1 4.42Å
346K83.2Confident92.8Very high143 Ų14328 Ų2862%0.62215%0.15SC*.THydrogen-bonded Turntrans-62.1-19.2-176.9-68.2178.5-178.1168.70113.8T28 G348T28-K346 HydrophobicContact CG2-CB 4Å; T28-K346 HydrophobicContact CG2-CD 3.98Å; T28-K346 HydrophobicContact CG2-CG 3.97Å; K346-G348 PolarHBondContact O-N 3.09Å
347T81.6Confident92.7Very high63 Ų6328.3 Ų28.339%0.38715%0.153SC..THydrogen-bonded Turntrans-80.75.2177.444.60000113.5L345 F349L345-T347 PolarHBondContact O-N 2.8Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.49Å
348G87.8Confident92.7Very high26 Ų2628.2 Ų28.227%0.26815%0.152SC..THydrogen-bonded Turntrans85.129.3179.700000113.4L345 K346 I364L345-G348 PolarHBondContact O-N 2.65Å; K346-G348 PolarHBondContact O-N 3.09Å; G348-I364 PolarHBondContact O-N 2.92Å
349F92Very high92.8Very high14 Ų1427.1 Ų27.16%0.06114%0.144CC..EExtended strand (participates in β ladder)trans-117149.6177.2-67.3-93.6000111.1V43 L345 T347 L361 Y362 Q363 V403V43-F349 HydrophobicContact CG1-CD2 4.36Å; V43-F349 HydrophobicContact CG1-CE1 4.41Å; V43-F349 HydrophobicContact CG1-CE2 4.21Å; V43-F349 HydrophobicContact CG1-CZ 4.23Å; L345-F349 HydrophobicContact CB-CB 4.19Å; L345-F349 WeakPolarHBondContact CB-O 3.38Å; L345-F349 HydrophobicContact CD1-CB 4.04Å; L345-F349 HydrophobicContact CG-CB 4.48Å; L345-F349 PolarHBondContact N-O 2.88Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.49Å; F349-L361 HydrophobicContact CB-CD1 4Å; F349-L361 HydrophobicContact CD1-CD1 4.34Å; F349-L361 HydrophobicContact CD1-CD2 3.87Å; F349-L361 HydrophobicContact CD1-CG 4.01Å; F349-L361 HydrophobicContact CE1-CD2 4.28Å; F349-Y362 CarbonylContact C-O 3.21Å; F349-Y362 VanDerWaalsContact CA-O 3.25Å; F349-Y362 WeakPolarHBondContact CA-O 3.42Å; F349-Q363 HydrophobicContact CD1-CB 4.11Å; F349-Q363 HydrophobicContact CE1-CB 4.04Å; F349-Q363 HydrophobicContact CE1-CG 4.38Å; F349-V403 HydrophobicContact CE1-CG2 4.2Å
350L94.6Very high92.7Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-120.1114.6174.7172.761.3000108.6L305 L336 M342 L344 I352 Y362 I364 L400L305-L350 HydrophobicContact CD1-CD2 4.17Å; L336-L350 HydrophobicContact CD1-CD2 3.97Å; M342-L350 HydrophobicContact CB-CD1 4.31Å; L344-L350 HydrophobicContact CD2-CB 4.11Å; L344-L350 HydrophobicContact CD2-CD1 3.68Å; L344-L350 HydrophobicContact CD2-CG 4.36Å; L344-L350 HydrophobicContact CG-CD1 3.95Å; L350-I352 HydrophobicContact CD1-CD1 3.87Å; L350-I352 HydrophobicContact CD2-CD1 3.91Å; L350-I352 HydrophobicContact CD2-CG1 4.47Å; L350-I352 HydrophobicContact CG-CD1 3.7Å; L350-I352 HydrophobicContact CG-CG1 4.14Å; L350-Y362 PolarHBondContact N-O 3.4Å; L350-Y362 PolarHBondContact O-N 2.8Å; L350-I364 HydrophobicContact CB-CG1 4.41Å; L350-L400 HydrophobicContact CB-CD2 4.45Å; L350-L400 HydrophobicContact CD2-CD1 3.82Å; L350-L400 HydrophobicContact CD2-CD2 4.1Å
351F95.8Very high92.8Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-93.8127.5174.2176.6-108.2000110.5I14 A17 V30 V32 L41 M50 M342 C343 A353 H359 L361 I406I14-F351 HydrophobicContact CD1-CE1 4.46Å; I14-F351 HydrophobicContact CD1-CZ 3.91Å; A17-F351 HydrophobicContact CB-CD1 4.48Å; A17-F351 HydrophobicContact CB-CE1 4.11Å; V30-F351 HydrophobicContact CG1-CD1 3.84Å; V30-F351 HydrophobicContact CG1-CE1 4.01Å; V32-F351 HydrophobicContact CG1-CE1 3.99Å; V32-F351 HydrophobicContact CG1-CZ 4.36Å; L41-F351 HydrophobicContact CD1-CZ 4.22Å; M50-F351 HydrophobicContact CE-CD2 4.03Å; M50-F351 HydrophobicContact CE-CE2 4.22Å; M50-F351 HydrophobicContact CE-CG 4.48Å; M342-F351 WeakPolarHBondContact CA-O 3.4Å; C343-F351 HydrophobicContact CB-CB 4.21Å; C343-F351 HydrophobicContact CB-CD1 4.39Å; C343-F351 PolarHBondContact N-O 3.49Å; C343-F351 PolarHBondContact O-N 2.99Å; F351-A353 HydrophobicContact CE1-CB 4.09Å; F351-H359 HydrophobicContact CE2-CB 4.47Å; F351-L361 HydrophobicContact CB-CD1 4.1Å; F351-L361 HydrophobicContact CD2-CD1 4.44Å; F351-I406 HydrophobicContact CE2-CD1 3.82Å
352I96.5Very high92.8Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-115.1107.8-177-60.9-59.5000109.3L336 A339 M342 L350 A354 H359 Y360 Y362L336-I352 HydrophobicContact CD1-CD1 3.72Å; L336-I352 HydrophobicContact CD1-CG1 3.85Å; A339-I352 HydrophobicContact CB-CG2 3.73Å; M342-I352 HydrophobicContact CB-CD1 4.22Å; M342-I352 HydrophobicContact CG-CD1 3.56Å; M342-I352 HydrophobicContact SD-CD1 3.78Å; L350-I352 HydrophobicContact CD1-CD1 3.87Å; L350-I352 HydrophobicContact CD2-CD1 3.91Å; L350-I352 HydrophobicContact CD2-CG1 4.47Å; L350-I352 HydrophobicContact CG-CD1 3.7Å; L350-I352 HydrophobicContact CG-CG1 4.14Å; I352-A354 PolarHBondContact O-N 2.83Å; I352-H359 WeakPolarHBondContact O-CB 3Å; I352-Y360 PolarHBondContact N-O 2.9Å; I352-Y360 PolarHBondContact O-N 3.18Å; I352-Y360 VanDerWaalsContact O-N 3.12Å; I352-Y362 HydrophobicContact CB-CE2 4.22Å; I352-Y362 HydrophobicContact CG1-CD2 3.73Å; I352-Y362 HydrophobicContact CG1-CE2 3.72Å
353A96.4Very high92.7Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-86.783.8172.200000109.9I14 A17 A339 N340 S341 F351I14-A353 HydrophobicContact CB-CB 4.01Å; I14-A353 HydrophobicContact CD1-CB 4.39Å; I14-A353 HydrophobicContact CG2-CB 3.61Å; A17-A353 HydrophobicContact CB-CB 4.25Å; A339-A353 CarbonylContact C-O 3.55Å; A339-A353 VanDerWaalsContact CA-O 3.29Å; A339-A353 WeakPolarHBondContact CA-O 3.08Å; A339-A353 WeakPolarHBondContact CB-O 3.42Å; N340-A353 PolarHBondContact N-O 3.39Å; S341-A353 PolarHBondContact O-N 3.03Å; F351-A353 HydrophobicContact CE1-CB 4.09Å
354A95.2Very high92.6Very high1 Ų129.8 Ų29.81%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-51142.1177.600000112.6P337 V338 I352 F356 N358 H359P337-A354 HydrophobicContact CB-CB 4.37Å; V338-A354 CarbonylContact O-C 3.57Å; V338-A354 VanDerWaalsContact O-CA 3.31Å; V338-A354 WeakPolarHBondContact O-CA 2.98Å; I352-A354 PolarHBondContact O-N 2.83Å; A354-F356 VanDerWaalsContact C-N 3.28Å; A354-F356 PolarHBondContact O-N 3.05Å; A354-N358 WeakPolarHBondContact CB-O 3.49Å; A354-H359 PolarHBondContact N-ND1 3.19Å; A354-H359 PolarHBondContact O-CE1 3.11Å; A354-H359 VanDerWaalsContact O-CE1 3.32Å; A354-H359 PolarHBondContact O-ND1 3.05Å
355E94.2Very high92.6Very high70 Ų7031 Ų3133%0.32716%0.164SC..SBendtrans-63.5-36.3178.461165.2-161.900112.4V338 N340V338-E355 HydrophobicContact CB-CG 4.1Å; V338-E355 HydrophobicContact CG1-CG 4.03Å; V338-E355 WeakPolarHBondContact O-CG 3.33Å; V338-E355 PolarHBondContact O-N 3.31Å; N340-E355 WeakPolarHBondContact OD1-CB 3.43Å
356F93.4Very high92.5Very high73 Ų7335.8 Ų35.832%0.3218%0.182SC..SBendtrans-146.5149.7-179-64.7-61000108.7A354 P411 R434 I437A354-F356 VanDerWaalsContact C-N 3.28Å; A354-F356 PolarHBondContact O-N 3.05Å; F356-P411 HydrophobicContact CD1-CB 4.17Å; F356-P411 HydrophobicContact CD1-CG 3.78Å; F356-P411 HydrophobicContact CE1-CB 4.35Å; F356-P411 HydrophobicContact CE1-CG 4.25Å; F356-P411 HydrophobicContact CG-CG 4.39Å; F356-R434 HydrophobicContact CB-CB 4.02Å; F356-R434 HydrophobicContact CD2-CB 4.28Å; F356-R434 HydrophobicContact CD2-CG 4.27Å; F356-R434 HydrophobicContact CG-CB 4.3Å; F356-I437 WeakPolarHBondContact O-CD1 3.38Å
357G91.4Very high92.7Very high7 Ų732.7 Ų32.77%0.07217%0.172CC..SBendtrans77.6-166.1-175.400000112.9S408 A410G357-S408 WeakPolarHBondContact O-CB 3.43Å; G357-S408 PolarHBondContact O-OG 3.02Å; G357-A410 PolarHBondContact N-O 3.02Å
358N94.1Very high92.6Very high24 Ų2429.8 Ų29.813%0.12816%0.155CC..  trans-66.9154-174.5-57.2-25.1000111.7A354 Y360 E405 I406 L407 S408 K441A354-N358 WeakPolarHBondContact CB-O 3.49Å; N358-Y360 HydrophobicContact CB-CE2 4.4Å; N358-Y360 WeakPolarHBondContact O-CD2 3.19Å; N358-Y360 WeakPolarHBondContact O-CE2 3.45Å; N358-E405 HydrophobicContact CB-CG 3.92Å; N358-E405 WeakPolarHBondContact CB-OE1 3.46Å; N358-E405 PolarHBondContact ND2-OE1 2.72Å; N358-I406 CarbonylContact C-O 3.58Å; N358-I406 WeakPolarHBondContact CA-O 3.44Å; N358-I406 WeakPolarHBondContact CB-O 3.47Å; N358-L407 WeakPolarHBondContact OD1-CA 3.47Å; N358-S408 PolarHBondContact OD1-N 3.43Å; N358-S408 PolarHBondContact OD1-O 2.89Å; N358-K441 PolarHBondContact OD1-NZ 3.24Å
359H95.2Very high92Very high4 Ų432.7 Ų32.72%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-101.9157175.4-47.7-63000110.1S12 I14 F351 I352 A354 I406S12-H359 PolarHBondContact O-NE2 3.44Å; I14-H359 VanDerWaalsContact CD1-CD2 3.46Å; I14-H359 WeakPolarHBondContact CD1-CD2 3.26Å; F351-H359 HydrophobicContact CE2-CB 4.47Å; I352-H359 WeakPolarHBondContact O-CB 3Å; A354-H359 PolarHBondContact N-ND1 3.19Å; A354-H359 PolarHBondContact O-CE1 3.11Å; A354-H359 VanDerWaalsContact O-CE1 3.32Å; A354-H359 PolarHBondContact O-ND1 3.05Å; H359-I406 HydrophobicContact CB-CB 4.19Å; H359-I406 PolarHBondContact N-O 3.22Å; H359-I406 PolarHBondContact O-N 3.37Å
360Y95.4Very high90.9Very high35 Ų3535.9 Ų35.914%0.13718%0.179CC..EExtended strand (participates in β ladder)trans-133.3143.3-169.8-59.5-91.8000111.9P337 I352 N358 Y362 E402 E405P337-Y360 HydrophobicContact CB-CE2 4.24Å; P337-Y360 HydrophobicContact CG-CD2 3.98Å; P337-Y360 HydrophobicContact CG-CE2 3.59Å; I352-Y360 PolarHBondContact N-O 2.9Å; I352-Y360 PolarHBondContact O-N 3.18Å; I352-Y360 VanDerWaalsContact O-N 3.12Å; N358-Y360 HydrophobicContact CB-CE2 4.4Å; N358-Y360 WeakPolarHBondContact O-CD2 3.19Å; N358-Y360 WeakPolarHBondContact O-CE2 3.45Å; Y360-Y362 HydrophobicContact CG-CE2 4.12Å; Y360-E402 HydrophobicContact CD1-CG 4.4Å; Y360-E405 HydrophobicContact CD1-CB 4.36Å; Y360-E405 HydrophobicContact CD1-CG 4.19Å; Y360-E405 HydrophobicContact CE1-CB 4.38Å; Y360-E405 HydrophobicContact CE1-CG 3.83Å
361L95.1Very high89.4Confident0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-111.3119.5166.1-175.675.7000108.6V43 G48 M50 L345 F349 F351 V403 H404V43-L361 HydrophobicContact CG1-CD2 4.04Å; V43-L361 HydrophobicContact CG2-CD1 4.08Å; V43-L361 HydrophobicContact CG2-CD2 4.04Å; G48-L361 WeakPolarHBondContact O-CD2 3.35Å; M50-L361 HydrophobicContact CG-CB 4.24Å; M50-L361 HydrophobicContact CG-CD1 4.36Å; M50-L361 HydrophobicContact CG-CD2 3.94Å; M50-L361 HydrophobicContact CG-CG 4.41Å; M50-L361 HydrophobicContact SD-CD1 4.23Å; M50-L361 HydrophobicContact SD-CD2 4.29Å; L345-L361 HydrophobicContact CD1-CD1 4.42Å; F349-L361 HydrophobicContact CB-CD1 4Å; F349-L361 HydrophobicContact CD1-CD1 4.34Å; F349-L361 HydrophobicContact CD1-CD2 3.87Å; F349-L361 HydrophobicContact CD1-CG 4.01Å; F349-L361 HydrophobicContact CE1-CD2 4.28Å; F351-L361 HydrophobicContact CB-CD1 4.1Å; F351-L361 HydrophobicContact CD2-CD1 4.44Å; L361-V403 PolarHBondContact O-N 2.94Å; L361-H404 HydrophobicContact CB-CB 4.16Å; L361-H404 PolarHBondContact N-O 3.39Å; L361-H404 PolarHBondContact O-N 2.72Å
362Y95.1Very high87.8Confident8 Ų852.3 Ų52.33%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-106.5147174.6-60.8-86000110.6L336 F349 L350 I352 Y360 L397 L400 I401 E402L336-Y362 HydrophobicContact CD1-CD2 4.46Å; L336-Y362 HydrophobicContact CD1-CE2 4.34Å; L336-Y362 HydrophobicContact CD2-CD1 4.44Å; L336-Y362 HydrophobicContact CD2-CD2 4.28Å; L336-Y362 HydrophobicContact CD2-CE1 3.97Å; L336-Y362 HydrophobicContact CD2-CE2 3.76Å; F349-Y362 CarbonylContact C-O 3.21Å; F349-Y362 VanDerWaalsContact CA-O 3.25Å; F349-Y362 WeakPolarHBondContact CA-O 3.42Å; L350-Y362 PolarHBondContact N-O 3.4Å; L350-Y362 PolarHBondContact O-N 2.8Å; I352-Y362 HydrophobicContact CB-CE2 4.22Å; I352-Y362 HydrophobicContact CG1-CD2 3.73Å; I352-Y362 HydrophobicContact CG1-CE2 3.72Å; Y360-Y362 HydrophobicContact CG-CE2 4.12Å; Y362-L397 HydrophobicContact CD1-CD1 4.28Å; Y362-L397 HydrophobicContact CE1-CD1 3.78Å; Y362-L400 HydrophobicContact CD1-CB 4.1Å; Y362-L400 HydrophobicContact CG-CB 4.31Å; Y362-L400 HydrophobicContact CG-CD1 4.41Å; Y362-I401 CarbonylContact C-O 3.57Å; Y362-I401 WeakPolarHBondContact CA-O 3.41Å; Y362-E402 HydrophobicContact CD1-CB 4.02Å; Y362-E402 HydrophobicContact CD1-CG 4.46Å; Y362-E402 HydrophobicContact CE1-CB 3.83Å; Y362-E402 HydrophobicContact CE1-CG 4.03Å
363Q93.6Very high86.3Confident87 Ų8753.6 Ų53.641%0.40727%0.267SS..EExtended strand (participates in β ladder)trans-95.9134.2165.3-179.8176.812.900109.1F349 A365 L400 I401 V403F349-Q363 HydrophobicContact CD1-CB 4.11Å; F349-Q363 HydrophobicContact CE1-CB 4.04Å; F349-Q363 HydrophobicContact CE1-CG 4.38Å; Q363-A365 PolarHBondContact O-N 2.87Å; Q363-L400 WeakPolarHBondContact O-CA 3.42Å; Q363-I401 PolarHBondContact N-O 3.42Å; Q363-I401 PolarHBondContact O-N 3.49Å; Q363-V403 HydrophobicContact CB-CG2 3.54Å
364I92.5Very high84.9Confident36 Ų3661.8 Ų61.819%0.18531%0.305CS..EExtended strand (participates in β ladder)trans-80.1105.2176.2-57.2171.3000107.5L344 G348 L350 R366 L367 L400L344-I364 HydrophobicContact CD2-CD1 3.67Å; G348-I364 PolarHBondContact O-N 2.92Å; L350-I364 HydrophobicContact CB-CG1 4.41Å; I364-R366 WeakPolarHBondContact CG2-O 3.4Å; I364-L367 HydrophobicContact CG2-CD2 4.14Å; I364-L400 HydrophobicContact CB-CD2 4.45Å; I364-L400 HydrophobicContact CG1-CD2 3.86Å
365A91.2Very high83.9Confident55 Ų5563.3 Ų63.346%0.45531%0.313SS..  trans-81-41.617600000111.1Q363 N399 I401Q363-A365 PolarHBondContact O-N 2.87Å; A365-N399 PolarHBondContact N-O 2.8Å; A365-I401 HydrophobicContact CB-CD1 3.84Å; A365-I401 HydrophobicContact CB-CG1 4.07Å
366R89Confident83.2Confident106 Ų10664.3 Ų64.340%0.432%0.319SS..  trans-135.1148.4-179.7-62.3-179.4-178.6-169.7-4.3110.5I364 G368 E370 N399I364-R366 WeakPolarHBondContact CG2-O 3.4Å; R366-G368 VanDerWaalsContact C-N 3.33Å; R366-E370 WeakPolarHBondContact CD-OE2 3.5Å; R366-E370 IonicContact CZ-OE2 2.88Å; R366-E370 VanDerWaalsContact CZ-OE2 3.3Å; R366-E370 IonicContact NE-OE2 3.75Å; R366-E370 PolarHBondContact NE-OE2 2.85Å; R366-E370 IonicContact NH1-OE2 3.11Å; R366-E370 PolarHBondContact NH1-OE2 3.12Å; R366-E370 IonicContact NH2-OE2 3.83Å; R366-N399 WeakPolarHBondContact CB-OD1 3.47Å; R366-N399 PolarHBondContact N-O 2.78Å
367L85.7Confident82.9Confident78 Ų7864.3 Ų64.341%0.40832%0.32SS..  trans-86.1-6.5176.1-69.3172.3000112.9F303 K315 I364F303-L367 HydrophobicContact CE1-CD2 4.14Å; F303-L367 HydrophobicContact CZ-CD2 4.04Å; K315-L367 WeakPolarHBondContact CD-O 3.39Å; K315-L367 PolarHBondContact NZ-O 3.05Å; I364-L367 HydrophobicContact CG2-CD2 4.14Å
368G80.1Confident82.8Confident2 Ų264.6 Ų64.62%0.02132%0.319CS..SBendtrans76.226.6-17900000114.7K331 R366 D373K331-G368 WeakPolarHBondContact CE-O 3.12Å; K331-G368 PolarHBondContact NZ-O 3.31Å; R366-G368 VanDerWaalsContact C-N 3.33Å; G368-D373 VanDerWaalsContact CA-OD2 3.27Å; G368-D373 WeakPolarHBondContact CA-OD2 3.31Å
369D75Confident82.7Confident86 Ų8664 Ų6446%0.4632%0.317SS..  trans-11310176.9-63.8-34.2000112.5K315 D373K315-D369 IonicContact NZ-OD1 3.58Å; K315-D369 PolarHBondContact NZ-OD1 3.11Å; K315-D369 IonicContact NZ-OD2 3.57Å; K315-D369 PolarHBondContact NZ-OD2 3.35Å; D369-D373 PolarHBondContact N-OD2 3.45Å
370E69.6Low82.4Confident82 Ų8265.2 Ų65.238%0.38333%0.326SS..  trans-75.6143-174.1-68178.4-177.500110.3R366 D372 D373R366-E370 WeakPolarHBondContact CD-OE2 3.5Å; R366-E370 IonicContact CZ-OE2 2.88Å; R366-E370 VanDerWaalsContact CZ-OE2 3.3Å; R366-E370 IonicContact NE-OE2 3.75Å; R366-E370 PolarHBondContact NE-OE2 2.85Å; R366-E370 IonicContact NH1-OE2 3.11Å; R366-E370 PolarHBondContact NH1-OE2 3.12Å; R366-E370 IonicContact NH2-OE2 3.83Å; E370-D372 PolarHBondContact O-N 3.22Å; E370-D372 VanDerWaalsContact O-N 3.13Å; E370-D373 PolarHBondContact N-OD2 2.96Å; E370-D373 VanDerWaalsContact O-CB 3.27Å; E370-D373 WeakPolarHBondContact O-CB 3.14Å; E370-D373 PolarHBondContact O-N 3Å
371E62.4Low82Confident202 Ų20269.3 Ų69.394%0.94435%0.35SS*.THydrogen-bonded Turntrans-60.6-23.8-179.8-66.3-177.3176.500112.7D373E371-D373 VanDerWaalsContact C-N 3.25Å; E371-D373 PolarHBondContact O-N 2.9Å
372D62.1Low81.6Confident142 Ų14273.2 Ų73.276%0.75937%0.369SS*.THydrogen-bonded Turntrans-78.7-4.3176.5-66.9-22.9000113.1E370 E374E370-D372 PolarHBondContact O-N 3.22Å; E370-D372 VanDerWaalsContact O-N 3.13Å; D372-E374 PolarHBondContact O-N 3.49Å; D372-E374 VanDerWaalsContact O-N 3.12Å
373D65.5Low80.7Confident28 Ų2879 Ų7915%0.1541%0.407CS..  trans-75.5101.6177.7-72.4-27.2000110.4K331 G368 D369 E370 E371 E375K331-D373 VanDerWaalsContact NZ-CB 3.3Å; K331-D373 IonicContact NZ-OD2 3.56Å; K331-D373 PolarHBondContact NZ-OD2 3.38Å; G368-D373 VanDerWaalsContact CA-OD2 3.27Å; G368-D373 WeakPolarHBondContact CA-OD2 3.31Å; D369-D373 PolarHBondContact N-OD2 3.45Å; E370-D373 PolarHBondContact N-OD2 2.96Å; E370-D373 VanDerWaalsContact O-CB 3.27Å; E370-D373 WeakPolarHBondContact O-CB 3.14Å; E370-D373 PolarHBondContact O-N 3Å; E371-D373 VanDerWaalsContact C-N 3.25Å; E371-D373 PolarHBondContact O-N 2.9Å; D373-E375 PolarHBondContact O-N 3.21Å
374E67.8Low79.9Confident171 Ų17177.8 Ų77.880%0.79940%0.404SS*.  trans-62.92.7174.1-60.5177.6160.700114.4D372D372-E374 PolarHBondContact O-N 3.49Å; D372-E374 VanDerWaalsContact O-N 3.12Å
375E73.3Confident79Confident34 Ų3483.1 Ų83.116%0.15943%0.428CS..PPolyproline II helixtrans-82.3129.8-173.9-63.4-161.913200112.3K331 Y332 D373 E377 R395K331-E375 HydrophobicContact CG-CB 4.46Å; Y332-E375 VanDerWaalsContact CD1-OE1 3.29Å; Y332-E375 WeakPolarHBondContact CD1-OE1 3.48Å; D373-E375 PolarHBondContact O-N 3.21Å; E375-E377 PolarHBondContact O-N 2.86Å; E375-R395 IonicContact OE1-CZ 2.98Å; E375-R395 IonicContact OE1-NE 3.25Å; E375-R395 PolarHBondContact OE1-NE 2.89Å; E375-R395 IonicContact OE1-NH2 3.3Å; E375-R395 PolarHBondContact OE1-NH2 2.88Å; E375-R395 IonicContact OE2-CZ 3.28Å; E375-R395 IonicContact OE2-NE 3.34Å; E375-R395 IonicContact OE2-NH2 3.8Å; E375-R395 PolarHBondContact OE2-NH2 2.89Å
376I80.6Confident77.7Confident91 Ų9190.5 Ų90.547%0.46745%0.453SS..PPolyproline II helixtrans-67.7118.6179.8-51.4173.7000109F378I376-F378 HydrophobicContact CB-CE1 4.01Å; I376-F378 HydrophobicContact CB-CZ 3.96Å; I376-F378 HydrophobicContact CG2-CD1 3.82Å; I376-F378 HydrophobicContact CG2-CE1 3.48Å; I376-F378 VanDerWaalsContact CG2-CE1 3.48Å; I376-F378 HydrophobicContact CG2-CZ 3.96Å
377E85.6Confident76.7Confident72 Ų7288.7 Ų88.734%0.33647%0.467SS..EExtended strand (participates in β ladder)trans-84.2119.2166.5-176.2174.4-123.800108.6K329 K331 E375 M382K329-E377 HydrophobicContact CB-CG 4.08Å; K329-E377 HydrophobicContact CD-CG 4.42Å; K329-E377 HydrophobicContact CG-CG 4.36Å; K331-E377 HydrophobicContact CB-CG 4.48Å; E375-E377 PolarHBondContact O-N 2.86Å; E377-M382 VanDerWaalsContact O-CE 3.31Å; E377-M382 WeakPolarHBondContact O-CE 3.45Å
378F90.6Very high76.3Confident13 Ų1389.7 Ų89.76%0.05747%0.47CS..EExtended strand (participates in β ladder)trans-93.1134.3178.7-53.1-73.4000109.5P275 K329 I330 I376 F390 F392P275-F378 HydrophobicContact CB-CD2 4.28Å; P275-F378 HydrophobicContact CB-CE2 4.04Å; P275-F378 HydrophobicContact CG-CD2 3.68Å; P275-F378 HydrophobicContact CG-CE2 3.94Å; K329-F378 CarbonylContact C-O 3.48Å; K329-F378 VanDerWaalsContact CA-O 3.3Å; K329-F378 WeakPolarHBondContact CA-O 3.22Å; I330-F378 HydrophobicContact CG2-CB 3.87Å; I330-F378 HydrophobicContact CG2-CD2 4.32Å; I330-F378 PolarHBondContact N-O 3.42Å; I330-F378 PolarHBondContact O-N 2.97Å; I376-F378 HydrophobicContact CB-CE1 4.01Å; I376-F378 HydrophobicContact CB-CZ 3.96Å; I376-F378 HydrophobicContact CG2-CD1 3.82Å; I376-F378 HydrophobicContact CG2-CE1 3.48Å; I376-F378 VanDerWaalsContact CG2-CE1 3.48Å; I376-F378 HydrophobicContact CG2-CZ 3.96Å; F378-F390 HydrophobicContact CB-CD1 4.22Å; F378-F390 HydrophobicContact CB-CD2 3.72Å; F378-F390 HydrophobicContact CB-CE1 4.38Å; F378-F390 HydrophobicContact CB-CE2 3.9Å; F378-F390 HydrophobicContact CB-CG 3.9Å; F378-F390 HydrophobicContact CB-CZ 4.23Å; F378-F390 HydrophobicContact CD1-CB 3.63Å; F378-F390 AromaticContact CD1-CD1 3.35Å; F378-F390 HydrophobicContact CD1-CD1 3.35Å; F378-F390 HydrophobicContact CD1-CD2 4.18Å; F378-F390 HydrophobicContact CD1-CE1 4.02Å; F378-F390 AromaticContact CD1-CG 3.45Å; F378-F390 HydrophobicContact CD1-CG 3.45Å; F378-F390 VanDerWaalsContact CD1-CG 3.45Å; F378-F390 HydrophobicContact CD2-CB 4.06Å; F378-F390 HydrophobicContact CD2-CG 4.34Å; F378-F390 HydrophobicContact CE1-CB 3.72Å; F378-F390 AromaticContact CE1-CD1 3.92Å; F378-F390 HydrophobicContact CE1-CD1 3.92Å; F378-F390 HydrophobicContact CE1-CG 4.02Å; F378-F390 HydrophobicContact CE2-CB 4.14Å; F378-F390 HydrophobicContact CG-CB 3.81Å; F378-F390 AromaticContact CG-CD1 3.97Å; F378-F390 HydrophobicContact CG-CD1 3.97Å; F378-F390 AromaticContact CG-CD2 3.94Å; F378-F390 HydrophobicContact CG-CD2 3.94Å; F378-F390 AromaticContact CG-CG 3.63Å; F378-F390 HydrophobicContact CG-CG 3.63Å; F378-F390 HydrophobicContact CZ-CB 3.97Å; F378-F392 HydrophobicContact CE2-CB 4.47Å
379S90.5Very high76.4Confident11 Ų1190.6 Ų90.68%0.07748%0.475CS..EExtended strand (participates in β ladder)trans-112.1147.7176.4164.60000110.6E327 M328 L381 M382E327-S379 WeakPolarHBondContact OE2-CB 3.49Å; E327-S379 PolarHBondContact OE2-OG 2.79Å; M328-S379 WeakPolarHBondContact O-CA 3.05Å; S379-L381 PolarHBondContact O-N 3.36Å; S379-L381 VanDerWaalsContact O-N 3.16Å; S379-L381 PolarHBondContact OG-N 3.31Å; S379-M382 WeakPolarHBondContact O-CB 3.37Å; S379-M382 PolarHBondContact O-N 3.44Å; S379-M382 VanDerWaalsContact O-N 3.11Å
380S89.1Confident76.9Confident31 Ų3187.5 Ų87.522%0.21746%0.457CS..THydrogen-bonded Turntrans-59.4-16.8169.858.50000113.9Q271 E327 M328Q271-S380 VanDerWaalsContact O-CB 3.24Å; Q271-S380 WeakPolarHBondContact O-CB 3.49Å; E327-S380 WeakPolarHBondContact CA-OG 3.33Å; M328-S380 PolarHBondContact N-OG 2.76Å; M328-S380 PolarHBondContact O-N 2.86Å
381L87.8Confident77.7Confident120 Ų12089.2 Ų89.263%0.62846%0.461SS*.THydrogen-bonded Turntrans-84.4-10.5176.7-62.4-179.8000113.6E327 S379E327-L381 HydrophobicContact CB-CD1 3.99Å; E327-L381 HydrophobicContact CB-CG 3.89Å; E327-L381 HydrophobicContact CG-CD1 4.45Å; E327-L381 WeakPolarHBondContact OE2-CD1 3.46Å; S379-L381 PolarHBondContact O-N 3.36Å; S379-L381 VanDerWaalsContact O-N 3.16Å; S379-L381 PolarHBondContact OG-N 3.31Å
382M86.6Confident79Confident82 Ų8280.2 Ų80.240%0.40442%0.419SS..SBendtrans-71.1130.3176.8-64.8-177.1178.800109.6E377 S379 L384 F390E377-M382 VanDerWaalsContact O-CE 3.31Å; E377-M382 WeakPolarHBondContact O-CE 3.45Å; S379-M382 WeakPolarHBondContact O-CB 3.37Å; S379-M382 PolarHBondContact O-N 3.44Å; S379-M382 VanDerWaalsContact O-N 3.11Å; M382-L384 PolarHBondContact O-N 3.44Å; M382-F390 HydrophobicContact CB-CE1 4.02Å; M382-F390 HydrophobicContact CB-CZ 3.97Å; M382-F390 HydrophobicContact SD-CE1 4.14Å
383P75.8Confident80.1Confident129 Ų12975.6 Ų75.684%0.83840%0.398SS*.  trans-68.7122.8-179.627.8-32.9000110.1
384L77.4Confident81.2Confident63 Ų6374.8 Ų74.833%0.3339%0.394SS..  trans-120.1139167.7-71.9173000108S273 M382 E388 F390S273-L384 VanDerWaalsContact OG-CD1 3.3Å; S273-L384 WeakPolarHBondContact OG-CD1 3.35Å; M382-L384 PolarHBondContact O-N 3.44Å; L384-E388 HydrophobicContact CB-CB 4.43Å; L384-E388 HydrophobicContact CD2-CB 4.16Å; L384-F390 HydrophobicContact CD1-CD1 4.25Å; L384-F390 HydrophobicContact CD1-CD2 4.06Å; L384-F390 HydrophobicContact CD1-CE1 3.78Å; L384-F390 HydrophobicContact CD1-CE2 3.55Å; L384-F390 HydrophobicContact CD1-CG 4.37Å; L384-F390 HydrophobicContact CD1-CZ 3.4Å; L384-F390 HydrophobicContact CD2-CD1 4.05Å; L384-F390 HydrophobicContact CD2-CE1 3.76Å; L384-F390 HydrophobicContact CD2-CZ 4.25Å; L384-F390 HydrophobicContact CG-CD1 4.49Å; L384-F390 HydrophobicContact CG-CE1 3.83Å; L384-F390 HydrophobicContact CG-CE2 4.45Å; L384-F390 HydrophobicContact CG-CZ 3.81Å
385E72.1Confident82.2Confident147 Ų14767.8 Ų67.869%0.68736%0.36SS*.  trans-71.2158.5169-62.2-168.3170.300110.8G387 E388E385-G387 PolarHBondContact O-N 3.01Å; E385-E388 HydrophobicContact CB-CG 4.01Å; E385-E388 PolarHBondContact N-OE2 2.85Å; E385-E388 VanDerWaalsContact N-OE2 3.12Å; E385-E388 PolarHBondContact O-N 2.92Å
386E64.9Low83Confident210 Ų21072.4 Ų72.498%0.98138%0.382SS*.THydrogen-bonded Turntrans-57.8114.6176.5-79.1-176.9178.600110.5
387G67.8Low83.5Confident68 Ų6871.1 Ų71.170%0.70138%0.376SS*.THydrogen-bonded Turntrans99.4-7.8-179.300000115E385E385-G387 PolarHBondContact O-N 3.01Å
388E77Confident83.7Confident99 Ų9974.5 Ų74.546%0.46339%0.385SS..  trans-79.7157171.5-66-172.3149.500112L384 E385L384-E388 HydrophobicContact CB-CB 4.43Å; L384-E388 HydrophobicContact CD2-CB 4.16Å; E385-E388 HydrophobicContact CB-CG 4.01Å; E385-E388 PolarHBondContact N-OE2 2.85Å; E385-E388 VanDerWaalsContact N-OE2 3.12Å; E385-E388 PolarHBondContact O-N 2.92Å
389T82.1Confident83.8Confident22 Ų2274 Ų7414%0.13538%0.383CS..  trans-142.4155.2-178.9175.60000110.1L274 R276 Y391L274-T389 PolarHBondContact O-OG1 2.9Å; R276-T389 HydrophobicContact CB-CG2 4.48Å; R276-T389 HydrophobicContact CG-CG2 4.09Å; T389-Y391 HydrophobicContact CG2-CE2 4.06Å; T389-Y391 VanDerWaalsContact O-CD2 3.28Å; T389-Y391 WeakPolarHBondContact O-CD2 3.17Å; T389-Y391 WeakPolarHBondContact O-CE2 3.43Å
390F86.8Confident84Confident20 Ų2073.6 Ų73.69%0.08838%0.38CS..  trans-70.6150173.1-60.7-59.9000111.7I272 S273 P275 R276 F378 M382 L384I272-F390 HydrophobicContact CG1-CE2 4.26Å; S273-F390 WeakPolarHBondContact OG-CD2 3.26Å; S273-F390 WeakPolarHBondContact OG-CE2 3.47Å; P275-F390 CarbonylContact C-O 3.44Å; P275-F390 VanDerWaalsContact CA-O 3.24Å; P275-F390 WeakPolarHBondContact CA-O 3.47Å; P275-F390 HydrophobicContact CB-CB 4.01Å; P275-F390 HydrophobicContact CG-CB 4.13Å; R276-F390 PolarHBondContact N-O 3.01Å; F378-F390 HydrophobicContact CB-CD1 4.22Å; F378-F390 HydrophobicContact CB-CD2 3.72Å; F378-F390 HydrophobicContact CB-CE1 4.38Å; F378-F390 HydrophobicContact CB-CE2 3.9Å; F378-F390 HydrophobicContact CB-CG 3.9Å; F378-F390 HydrophobicContact CB-CZ 4.23Å; F378-F390 HydrophobicContact CD1-CB 3.63Å; F378-F390 AromaticContact CD1-CD1 3.35Å; F378-F390 HydrophobicContact CD1-CD1 3.35Å; F378-F390 HydrophobicContact CD1-CD2 4.18Å; F378-F390 HydrophobicContact CD1-CE1 4.02Å; F378-F390 AromaticContact CD1-CG 3.45Å; F378-F390 HydrophobicContact CD1-CG 3.45Å; F378-F390 VanDerWaalsContact CD1-CG 3.45Å; F378-F390 HydrophobicContact CD2-CB 4.06Å; F378-F390 HydrophobicContact CD2-CG 4.34Å; F378-F390 HydrophobicContact CE1-CB 3.72Å; F378-F390 AromaticContact CE1-CD1 3.92Å; F378-F390 HydrophobicContact CE1-CD1 3.92Å; F378-F390 HydrophobicContact CE1-CG 4.02Å; F378-F390 HydrophobicContact CE2-CB 4.14Å; F378-F390 HydrophobicContact CG-CB 3.81Å; F378-F390 AromaticContact CG-CD1 3.97Å; F378-F390 HydrophobicContact CG-CD1 3.97Å; F378-F390 AromaticContact CG-CD2 3.94Å; F378-F390 HydrophobicContact CG-CD2 3.94Å; F378-F390 AromaticContact CG-CG 3.63Å; F378-F390 HydrophobicContact CG-CG 3.63Å; F378-F390 HydrophobicContact CZ-CB 3.97Å; M382-F390 HydrophobicContact CB-CE1 4.02Å; M382-F390 HydrophobicContact CB-CZ 3.97Å; M382-F390 HydrophobicContact SD-CE1 4.14Å; L384-F390 HydrophobicContact CD1-CD1 4.25Å; L384-F390 HydrophobicContact CD1-CD2 4.06Å; L384-F390 HydrophobicContact CD1-CE1 3.78Å; L384-F390 HydrophobicContact CD1-CE2 3.55Å; L384-F390 HydrophobicContact CD1-CG 4.37Å; L384-F390 HydrophobicContact CD1-CZ 3.4Å; L384-F390 HydrophobicContact CD2-CD1 4.05Å; L384-F390 HydrophobicContact CD2-CE1 3.76Å; L384-F390 HydrophobicContact CD2-CZ 4.25Å; L384-F390 HydrophobicContact CG-CD1 4.49Å; L384-F390 HydrophobicContact CG-CE1 3.83Å; L384-F390 HydrophobicContact CG-CE2 4.45Å; L384-F390 HydrophobicContact CG-CZ 3.81Å
391Y86.1Confident84.2Confident118 Ų11876.4 Ų76.446%0.46339%0.392SS..EExtended strand (participates in β ladder)trans-126.9130.5-179.7-71.8-85.4000113.1R276 R278 T389R276-Y391 HydrophobicContact CB-CD1 4.24Å; R276-Y391 HydrophobicContact CB-CE1 4.23Å; R276-Y391 CarbonylContact O-C 3.57Å; R276-Y391 VanDerWaalsContact O-CA 3.25Å; R276-Y391 WeakPolarHBondContact O-CA 3.4Å; R278-Y391 HydrophobicContact CG-CD1 4.32Å; R278-Y391 HydrophobicContact CG-CG 4.33Å; R278-Y391 PolarHBondContact NE-O 2.95Å; R278-Y391 PolarHBondContact NH2-O 2.95Å; T389-Y391 HydrophobicContact CG2-CE2 4.06Å; T389-Y391 VanDerWaalsContact O-CD2 3.28Å; T389-Y391 WeakPolarHBondContact O-CD2 3.17Å; T389-Y391 WeakPolarHBondContact O-CE2 3.43Å
392F88.8Confident84.5Confident14 Ų1475 Ų756%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-124.1166.2177.277.1-75.4000112.1P275 R276 R277 R278 D312 F314 Y332 F378 P394P275-F392 HydrophobicContact CB-CD1 3.78Å; P275-F392 HydrophobicContact CB-CE1 4.35Å; R276-F392 VanDerWaalsContact C-CE1 3.48Å; R276-F392 WeakPolarHBondContact O-CD1 3.39Å; R276-F392 PolarHBondContact O-N 3.28Å; R277-F392 WeakPolarHBondContact CA-O 3.2Å; R277-F392 HydrophobicContact CG-CE1 3.85Å; R277-F392 HydrophobicContact CG-CE2 4.15Å; R277-F392 HydrophobicContact CG-CZ 3.5Å; R278-F392 PolarHBondContact N-O 3Å; D312-F392 HydrophobicContact CB-CZ 4.1Å; F314-F392 HydrophobicContact CE1-CD1 4.23Å; F314-F392 HydrophobicContact CE1-CE1 4.13Å; F314-F392 HydrophobicContact CE1-CZ 4.43Å; F314-F392 HydrophobicContact CZ-CD1 4.1Å; F314-F392 AromaticContact CZ-CE1 3.56Å; F314-F392 HydrophobicContact CZ-CE1 3.56Å; F314-F392 AromaticContact CZ-CZ 3.82Å; F314-F392 HydrophobicContact CZ-CZ 3.82Å; Y332-F392 AromaticContact CD1-CD2 3.78Å; Y332-F392 HydrophobicContact CD1-CD2 3.78Å; Y332-F392 HydrophobicContact CD1-CE2 4.12Å; Y332-F392 AromaticContact CD2-CD2 3.74Å; Y332-F392 HydrophobicContact CD2-CD2 3.74Å; Y332-F392 AromaticContact CD2-CE2 3.39Å; Y332-F392 HydrophobicContact CD2-CE2 3.39Å; Y332-F392 HydrophobicContact CD2-CZ 4.13Å; Y332-F392 HydrophobicContact CE1-CD2 4.16Å; Y332-F392 HydrophobicContact CE1-CE2 4.18Å; Y332-F392 HydrophobicContact CE2-CD2 4.15Å; Y332-F392 AromaticContact CE2-CE2 3.48Å; Y332-F392 HydrophobicContact CE2-CE2 3.48Å; Y332-F392 VanDerWaalsContact CE2-CE2 3.48Å; Y332-F392 HydrophobicContact CE2-CZ 4.29Å; Y332-F392 AromaticContact CG-CD2 3.54Å; Y332-F392 HydrophobicContact CG-CD2 3.54Å; Y332-F392 AromaticContact CG-CE2 3.73Å; Y332-F392 HydrophobicContact CG-CE2 3.73Å; Y332-F392 HydrophobicContact CG-CG 4.42Å; Y332-F392 AromaticContact CZ-CE2 3.89Å; F378-F392 HydrophobicContact CE2-CB 4.47Å; F392-P394 HydrophobicContact CE2-CB 4.41Å
393S86.6Confident84.7Confident44 Ų4473.5 Ų73.531%0.30838%0.377SS..  trans-113117.7177.1-69.50000109.7
394P87.9Confident85.5Confident11 Ų1169 Ų697%0.07135%0.345CS..  trans-65.6148.9178.528.9-36.4000111.1R277 F392 L825 F830R277-P394 HydrophobicContact CG-CG 4.33Å; F392-P394 HydrophobicContact CE2-CB 4.41Å; P394-L825 HydrophobicContact CB-CD1 4.39Å; P394-L825 HydrophobicContact CG-CD1 3.47Å; P394-L825 VanDerWaalsContact CG-CD1 3.47Å; P394-F830 HydrophobicContact CB-CD1 3.89Å; P394-F830 HydrophobicContact CB-CE1 3.94Å
395R88Confident86.2Confident25 Ų2569.5 Ų69.59%0.09435%0.346CS..  trans-144.4168.1-17868.5178.6167.233.78.1110.8Y332 F333 D334 E375 F830Y332-R395 HydrophobicContact CE1-CG 4.09Å; Y332-R395 PolarHBondContact OH-N 3.4Å; F333-R395 PolarHBondContact O-NH1 2.94Å; F333-R395 PolarHBondContact O-NH2 3.36Å; D334-R395 IonicContact OD1-CZ 2.69Å; D334-R395 IonicContact OD1-NH1 3.32Å; D334-R395 PolarHBondContact OD1-NH1 2.91Å; D334-R395 IonicContact OD1-NH2 3.96Å; E375-R395 IonicContact OE1-CZ 2.98Å; E375-R395 IonicContact OE1-NE 3.25Å; E375-R395 PolarHBondContact OE1-NE 2.89Å; E375-R395 IonicContact OE1-NH2 3.3Å; E375-R395 PolarHBondContact OE1-NH2 2.88Å; E375-R395 IonicContact OE2-CZ 3.28Å; E375-R395 IonicContact OE2-NE 3.34Å; E375-R395 IonicContact OE2-NH2 3.8Å; E375-R395 PolarHBondContact OE2-NH2 2.89Å; R395-F830 WeakPolarHBondContact O-CE1 2.96Å; R395-F830 VanDerWaalsContact O-CZ 3.26Å; R395-F830 WeakPolarHBondContact O-CZ 3.42Å
396E89.9Confident87Confident131 Ų13164.5 Ų64.561%0.61232%0.323SS*.SBendtrans-64162.5173.6-61.5-170.2153.800112R398E396-R398 PolarHBondContact O-N 2.94Å
397L91.6Very high88.2Confident64 Ų6457.3 Ų57.334%0.33529%0.291SS..  trans-56.3122.7-177.6-60.4177.8000110.9D334 L336 Y362 L400D334-L397 HydrophobicContact CB-CD2 3.83Å; D334-L397 WeakPolarHBondContact OD1-CA 3.35Å; L336-L397 HydrophobicContact CD2-CD2 3.78Å; Y362-L397 HydrophobicContact CD1-CD1 4.28Å; Y362-L397 HydrophobicContact CE1-CD1 3.78Å; L397-L400 WeakPolarHBondContact CB-O 3.27Å
398R90.5Very high89.4Confident142 Ų14254.1 Ų54.154%0.53626%0.258SS..SBendtrans-119.6-38.3175.3-72.8-169.9179.3175.5-2112.3D334 E396D334-R398 PolarHBondContact OD1-N 3.08Å; D334-R398 VanDerWaalsContact OD1-N 3.11Å; E396-R398 PolarHBondContact O-N 2.94Å
399N92.4Very high90.1Very high2 Ų249.4 Ų49.41%0.01124%0.236CC..SBendtrans-88.3-25.5-177.2-65.9-45000111.8F333 D334 A365 R366F333-N399 HydrophobicContact CD1-CB 4.43Å; F333-N399 HydrophobicContact CD2-CB 4.1Å; F333-N399 HydrophobicContact CE1-CB 3.94Å; F333-N399 HydrophobicContact CE2-CB 3.55Å; F333-N399 HydrophobicContact CZ-CB 3.46Å; F333-N399 VanDerWaalsContact CZ-CB 3.46Å; F333-N399 PolarHBondContact O-ND2 2.88Å; D334-N399 WeakPolarHBondContact OD2-CA 3.42Å; D334-N399 WeakPolarHBondContact OD2-CB 3.48Å; D334-N399 PolarHBondContact OD2-N 3.11Å; D334-N399 VanDerWaalsContact OD2-N 3.07Å; A365-N399 PolarHBondContact N-O 2.8Å; R366-N399 WeakPolarHBondContact CB-OD1 3.47Å; R366-N399 PolarHBondContact N-O 2.78Å
400L94.4Very high90.7Very high4 Ų448.5 Ų48.52%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-113.6142.5-178.3-63.4174000112.2F333 D334 L336 L350 Y362 Q363 I364 L397F333-L400 HydrophobicContact CD1-CD1 4.35Å; F333-L400 HydrophobicContact CE1-CD1 3.9Å; F333-L400 HydrophobicContact CE1-CD2 3.88Å; F333-L400 HydrophobicContact CE1-CG 3.72Å; F333-L400 HydrophobicContact CZ-CD2 4.35Å; F333-L400 HydrophobicContact CZ-CG 4.44Å; D334-L400 HydrophobicContact CB-CD1 4.11Å; D334-L400 WeakPolarHBondContact OD2-CB 3.33Å; D334-L400 WeakPolarHBondContact OD2-CG 3.14Å; D334-L400 PolarHBondContact OD2-N 3.19Å; L336-L400 HydrophobicContact CD1-CD1 3.67Å; L336-L400 HydrophobicContact CD2-CD1 3.8Å; L336-L400 HydrophobicContact CG-CD1 4.18Å; L350-L400 HydrophobicContact CB-CD2 4.45Å; L350-L400 HydrophobicContact CD2-CD1 3.82Å; L350-L400 HydrophobicContact CD2-CD2 4.1Å; Y362-L400 HydrophobicContact CD1-CB 4.1Å; Y362-L400 HydrophobicContact CG-CB 4.31Å; Y362-L400 HydrophobicContact CG-CD1 4.41Å; Q363-L400 WeakPolarHBondContact O-CA 3.42Å; I364-L400 HydrophobicContact CB-CD2 4.45Å; I364-L400 HydrophobicContact CG1-CD2 3.86Å; L397-L400 WeakPolarHBondContact CB-O 3.27Å
401I94.1Very high91.1Very high89 Ų8947.9 Ų47.946%0.45623%0.229SC..EExtended strand (participates in β ladder)trans-113.9125.5170.3-60.6170.7000107.5Y362 Q363 A365 V403Y362-I401 CarbonylContact C-O 3.57Å; Y362-I401 WeakPolarHBondContact CA-O 3.41Å; Q363-I401 PolarHBondContact N-O 3.42Å; Q363-I401 PolarHBondContact O-N 3.49Å; A365-I401 HydrophobicContact CB-CD1 3.84Å; A365-I401 HydrophobicContact CB-CG1 4.07Å; I401-V403 PolarHBondContact O-N 3.45Å
402E93.2Very high91.6Very high92 Ų9242.3 Ų42.343%0.4321%0.207SC..EExtended strand (participates in β ladder)trans-69.5119.9173.9-170.1-176.7154.100109.7Y360 Y362Y360-E402 HydrophobicContact CD1-CG 4.4Å; Y362-E402 HydrophobicContact CD1-CB 4.02Å; Y362-E402 HydrophobicContact CD1-CG 4.46Å; Y362-E402 HydrophobicContact CE1-CB 3.83Å; Y362-E402 HydrophobicContact CE1-CG 4.03Å
403V92Very high91.9Very high50 Ų5043.6 Ų43.630%0.30321%0.214SC..EExtended strand (participates in β ladder)trans-105.5-43.6-177.3-176.60000111.3G48 F349 L361 Q363 I401G48-V403 WeakPolarHBondContact O-CG1 3.44Å; F349-V403 HydrophobicContact CE1-CG2 4.2Å; L361-V403 PolarHBondContact O-N 2.94Å; Q363-V403 HydrophobicContact CB-CG2 3.54Å; I401-V403 PolarHBondContact O-N 3.45Å
404H91.8Very high92.3Very high33 Ų3342.1 Ų42.115%0.15320%0.204CC..EExtended strand (participates in β ladder)trans-147.7134.5-175.6-173.5-134.1000112M50 L361M50-H404 PolarHBondContact N-ND1 3.46Å; M50-H404 VanDerWaalsContact N-ND1 3.14Å; L361-H404 HydrophobicContact CB-CB 4.16Å; L361-H404 PolarHBondContact N-O 3.39Å; L361-H404 PolarHBondContact O-N 2.72Å
405E91Very high92.6Very high75 Ų7542 Ų4235%0.3520%0.203SC..EExtended strand (participates in β ladder)trans-106.2123.3174.1-176.9-175.7-158.100109.7N358 Y360 L407N358-E405 HydrophobicContact CB-CG 3.92Å; N358-E405 WeakPolarHBondContact CB-OE1 3.46Å; N358-E405 PolarHBondContact ND2-OE1 2.72Å; Y360-E405 HydrophobicContact CD1-CB 4.36Å; Y360-E405 HydrophobicContact CD1-CG 4.19Å; Y360-E405 HydrophobicContact CE1-CB 4.38Å; Y360-E405 HydrophobicContact CE1-CG 3.83Å; E405-L407 HydrophobicContact CG-CD2 4.45Å
406I90.4Very high92.9Very high42 Ų4244.1 Ų44.122%0.21521%0.214CC..EExtended strand (participates in β ladder)trans-96.9112.8174-52.8179.4000108.2M50 F351 N358 H359M50-I406 HydrophobicContact CB-CD1 3.89Å; M50-I406 HydrophobicContact CB-CG1 4.47Å; M50-I406 HydrophobicContact CG-CD1 4.16Å; F351-I406 HydrophobicContact CE2-CD1 3.82Å; N358-I406 CarbonylContact C-O 3.58Å; N358-I406 WeakPolarHBondContact CA-O 3.44Å; N358-I406 WeakPolarHBondContact CB-O 3.47Å; H359-I406 HydrophobicContact CB-CB 4.19Å; H359-I406 PolarHBondContact N-O 3.22Å; H359-I406 PolarHBondContact O-N 3.37Å
407L90.4Very high93.1Very high58 Ų5838.2 Ų38.230%0.30419%0.187SC..  trans-66.6134.8-177.8-58.5178000111.7N358 E405 Y755N358-L407 WeakPolarHBondContact OD1-CA 3.47Å; E405-L407 HydrophobicContact CG-CD2 4.45Å; L407-Y755 HydrophobicContact CB-CD2 4.44Å; L407-Y755 HydrophobicContact CD1-CD2 3.56Å; L407-Y755 HydrophobicContact CD1-CE2 4.34Å; L407-Y755 HydrophobicContact CD1-CG 3.8Å
408S92Very high93Very high1 Ų136.4 Ų36.41%0.00718%0.181CC..  trans-132.8141.5177.81750000111.4S12 G357 N358 A410 K441S12-S408 WeakPolarHBondContact CB-OG 3.39Å; S12-S408 PolarHBondContact OG-OG 3Å; G357-S408 WeakPolarHBondContact O-CB 3.43Å; G357-S408 PolarHBondContact O-OG 3.02Å; N358-S408 PolarHBondContact OD1-N 3.43Å; N358-S408 PolarHBondContact OD1-O 2.89Å; S408-A410 PolarHBondContact OG-N 2.92Å; S408-K441 PolarHBondContact O-NZ 2.86Å
409L93Very high93Very high0 Ų032.1 Ų32.10%017%0.169CC..  trans-91.7-8175.9-71.7165.2000112.4Q9 S12 P411 I412 V430 C432 K441 L443 Y755 I1104Q9-L409 HydrophobicContact CG-CD1 3.94Å; S12-L409 PolarHBondContact OG-N 3.1Å; L409-P411 CarbonylContact O-C 3.58Å; L409-P411 VanDerWaalsContact O-C 3.24Å; L409-I412 HydrophobicContact CB-CD1 4.01Å; L409-I412 HydrophobicContact CB-CG1 3.99Å; L409-I412 HydrophobicContact CD1-CD1 4.5Å; L409-I412 VanDerWaalsContact O-CG1 3.26Å; L409-I412 WeakPolarHBondContact O-CG1 3.15Å; L409-I412 PolarHBondContact O-N 2.88Å; L409-V430 HydrophobicContact CD2-CB 4.45Å; L409-V430 HydrophobicContact CD2-CG1 4.17Å; L409-C432 WeakPolarHBondContact O-CB 3.49Å; L409-K441 HydrophobicContact CD2-CB 4.29Å; L409-K441 HydrophobicContact CD2-CD 3.86Å; L409-L443 HydrophobicContact CD1-CD1 3.93Å; L409-L443 HydrophobicContact CD1-CD2 4.39Å; L409-L443 HydrophobicContact CD2-CD1 4.3Å; L409-L443 HydrophobicContact CD2-CD2 4.09Å; L409-Y755 HydrophobicContact CD1-CE1 3.94Å; L409-Y755 HydrophobicContact CD2-CD1 4.27Å; L409-Y755 HydrophobicContact CD2-CE1 4.01Å; L409-Y755 HydrophobicContact CG-CE1 3.84Å; L409-I1104 HydrophobicContact CD1-CD1 4.3Å
410A93.1Very high92.7Very high3 Ų332.5 Ų32.53%0.02517%0.171CC..PPolyproline II helixtrans-75.5132.7-177.200000111.7S12 A13 G357 S408S12-A410 PolarHBondContact OG-N 2.6Å; A13-A410 HydrophobicContact CB-CB 3.65Å; G357-A410 PolarHBondContact N-O 3.02Å; S408-A410 PolarHBondContact OG-N 2.92Å
411P96.2Very high92.2Very high8 Ų833.6 Ų33.65%0.05218%0.181CC..SBendcis-88.9132.8-7.433.4-30.7000113F356 L409 L413 C432 G433 I1100F356-P411 HydrophobicContact CD1-CB 4.17Å; F356-P411 HydrophobicContact CD1-CG 3.78Å; F356-P411 HydrophobicContact CE1-CB 4.35Å; F356-P411 HydrophobicContact CE1-CG 4.25Å; F356-P411 HydrophobicContact CG-CG 4.39Å; L409-P411 CarbonylContact O-C 3.58Å; L409-P411 VanDerWaalsContact O-C 3.24Å; P411-L413 HydrophobicContact CB-CD2 4.4Å; P411-L413 PolarHBondContact O-N 2.85Å; P411-C432 WeakPolarHBondContact O-CA 3.35Å; P411-C432 WeakPolarHBondContact O-CB 3.49Å; P411-G433 PolarHBondContact O-N 2.82Å; P411-I1100 VanDerWaalsContact CA-O 3.22Å; P411-I1100 WeakPolarHBondContact CA-O 3.36Å; P411-I1100 HydrophobicContact CB-CG1 3.74Å
412I96.5Very high91.5Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-79.7118.3168.4-57.9178.8000108.5L409 C415 V430 T1080 A1098 T1099 I1104L409-I412 HydrophobicContact CB-CD1 4.01Å; L409-I412 HydrophobicContact CB-CG1 3.99Å; L409-I412 HydrophobicContact CD1-CD1 4.5Å; L409-I412 VanDerWaalsContact O-CG1 3.26Å; L409-I412 WeakPolarHBondContact O-CG1 3.15Å; L409-I412 PolarHBondContact O-N 2.88Å; I412-C415 HydrophobicContact CG2-CB 4.25Å; I412-V430 HydrophobicContact CB-CG1 4.14Å; I412-V430 HydrophobicContact CD1-CG1 3.96Å; I412-V430 HydrophobicContact CG1-CG1 3.65Å; I412-V430 HydrophobicContact CG2-CG1 3.68Å; I412-T1080 WeakPolarHBondContact O-CB 3.35Å; I412-T1080 VanDerWaalsContact O-CG2 3.22Å; I412-T1080 WeakPolarHBondContact O-CG2 3.42Å; I412-T1080 PolarHBondContact O-OG1 3.06Å; I412-A1098 HydrophobicContact CD1-CB 4.1Å; I412-A1098 HydrophobicContact CG2-CB 3.92Å; I412-T1099 WeakPolarHBondContact CB-O 3.41Å; I412-I1104 HydrophobicContact CD1-CG1 4.3Å
413L95.5Very high90.7Very high41 Ų4135.7 Ų35.722%0.21519%0.186CC..EExtended strand (participates in β ladder)trans-103.7-33.6-178.5-62175.1000112.5P411 A431 T763 P764P411-L413 HydrophobicContact CB-CD2 4.4Å; P411-L413 PolarHBondContact O-N 2.85Å; L413-A431 PolarHBondContact N-O 2.91Å; L413-T763 HydrophobicContact CD1-CG2 3.22Å; L413-P764 HydrophobicContact CD1-CG 4.42Å; L413-P764 WeakPolarHBondContact CD1-O 3.01Å
414S94.4Very high89.9Confident14 Ų1438.5 Ų38.510%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-147.2144.3174.5-170.90000109.1A431 F767S414-A431 PolarHBondContact N-O 2.91Å; S414-A431 PolarHBondContact O-N 3.35Å; S414-F767 WeakPolarHBondContact OG-CD1 3.36Å
415C94.7Very high89.4Confident8 Ų837.4 Ų37.45%0.05420%0.195CC..EExtended strand (participates in β ladder)trans-141.8139.2176.7174.70000109.3I412 I428 Y429 S1081 A1098I412-C415 HydrophobicContact CG2-CB 4.25Å; C415-I428 WeakPolarHBondContact SG-CG2 3.18Å; C415-Y429 CarbonylContact C-O 3.59Å; C415-Y429 VanDerWaalsContact CA-O 3.26Å; C415-Y429 WeakPolarHBondContact CA-O 3.46Å; C415-S1081 WeakPolarHBondContact CB-OG 3.5Å; C415-A1098 HydrophobicContact CB-CB 4.1Å
416E93.8Very high89.3Confident70 Ų7035 Ų3533%0.32719%0.186SC..EExtended strand (participates in β ladder)trans-135.8137.9173.2-72.6-73.8162.300108.9Y429 F767E416-Y429 PolarHBondContact N-O 3.19Å; E416-Y429 PolarHBondContact O-N 3.48Å; E416-F767 HydrophobicContact CB-CE2 3.57Å; E416-F767 HydrophobicContact CB-CZ 3.54Å; E416-F767 HydrophobicContact CG-CD2 4.3Å; E416-F767 HydrophobicContact CG-CE1 4.44Å; E416-F767 HydrophobicContact CG-CE2 3.54Å; E416-F767 HydrophobicContact CG-CZ 3.62Å
417I93.7Very high89.3Confident7 Ų733 Ų334%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-111.8113.4-178.8-57.7174.6000107.5P426 Q427 I428 Q1083 T1085 L1087 I1096I417-P426 HydrophobicContact CG2-CB 3.9Å; I417-P426 HydrophobicContact CG2-CG 4.26Å; I417-Q427 WeakPolarHBondContact CA-O 3.45Å; I417-I428 HydrophobicContact CD1-CG1 4.45Å; I417-I428 HydrophobicContact CG1-CB 4.43Å; I417-I428 HydrophobicContact CG1-CG1 4.2Å; I417-I428 HydrophobicContact CG1-CG2 4.07Å; I417-Q1083 PolarHBondContact O-NE2 2.83Å; I417-T1085 HydrophobicContact CB-CG2 4.08Å; I417-T1085 HydrophobicContact CD1-CG2 4Å; I417-T1085 HydrophobicContact CG2-CG2 3.87Å; I417-L1087 HydrophobicContact CG2-CD2 4.37Å; I417-I1096 HydrophobicContact CD1-CB 3.83Å; I417-I1096 HydrophobicContact CD1-CD1 3.42Å; I417-I1096 VanDerWaalsContact CD1-CD1 3.42Å; I417-I1096 HydrophobicContact CD1-CG1 4.21Å; I417-I1096 HydrophobicContact CD1-CG2 3.56Å
418A91Very high89.4Confident26 Ų2630.3 Ų30.322%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-153.6153.3-175.900000110.2L420 Q427 Y429A418-L420 HydrophobicContact CB-CD2 3.71Å; A418-L420 HydrophobicContact CB-CG 3.97Å; A418-L420 PolarHBondContact O-N 2.86Å; A418-Q427 PolarHBondContact N-O 2.84Å; A418-Q427 VanDerWaalsContact N-O 3.12Å; A418-Q427 PolarHBondContact O-N 3.26Å; A418-Q427 VanDerWaalsContact O-O 3.14Å; A418-Q427 PolarHBondContact O-OE1 3.2Å; A418-Y429 WeakPolarHBondContact O-CE2 3.36Å
419D88.9Confident89.6Confident52 Ų5230.3 Ų30.328%0.27816%0.162SC..  trans-92.682169.5-172.817.4000109.3F422 E423 D424 P426 Q427D419-F422 VanDerWaalsContact OD1-CA 3.31Å; D419-F422 WeakPolarHBondContact OD1-CA 3.49Å; D419-F422 PolarHBondContact OD1-N 3.01Å; D419-F422 WeakPolarHBondContact OD2-CA 3.45Å; D419-E423 PolarHBondContact OD1-N 2.92Å; D419-E423 PolarHBondContact OD2-N 3.29Å; D419-D424 PolarHBondContact OD2-N 2.89Å; D419-P426 HydrophobicContact CB-CB 4.48Å; D419-Q427 PolarHBondContact OD1-NE2 3.02Å
420L87.1Confident89.7Confident10 Ų1030.3 Ų30.35%0.05216%0.162CC..SBendtrans-88-15.4178-47.2179.9000112.1A418 Q427 Y429 V769 L774 I776 P849A418-L420 HydrophobicContact CB-CD2 3.71Å; A418-L420 HydrophobicContact CB-CG 3.97Å; A418-L420 PolarHBondContact O-N 2.86Å; L420-Q427 VanDerWaalsContact N-OE1 3.08Å; L420-Y429 HydrophobicContact CB-CE2 4.09Å; L420-Y429 WeakPolarHBondContact CB-OH 3.5Å; L420-Y429 HydrophobicContact CD1-CD1 4.36Å; L420-Y429 HydrophobicContact CD1-CD2 3.99Å; L420-Y429 HydrophobicContact CD1-CE1 4Å; L420-Y429 HydrophobicContact CD1-CE2 3.6Å; L420-Y429 HydrophobicContact CD1-CG 4.38Å; L420-Y429 HydrophobicContact CG-CD2 4.35Å; L420-Y429 HydrophobicContact CG-CE2 3.61Å; L420-V769 HydrophobicContact CD1-CG1 4.22Å; L420-V769 HydrophobicContact CD1-CG2 4.09Å; L420-V769 HydrophobicContact CD2-CG1 3.68Å; L420-L774 HydrophobicContact CD2-CB 4.4Å; L420-L774 HydrophobicContact CD2-CD2 4.2Å; L420-I776 HydrophobicContact CD1-CD1 4.35Å; L420-I776 HydrophobicContact CD1-CG1 4.29Å; L420-P849 HydrophobicContact CB-CB 4.15Å; L420-P849 HydrophobicContact CB-CG 4.07Å; L420-P849 HydrophobicContact CD1-CB 3.78Å; L420-P849 HydrophobicContact CD1-CG 4.15Å
421A83.2Confident89.8Confident27 Ų2730.2 Ų30.222%0.22316%0.16CC..SBendtrans-98.3-4.2-179.700000113.7E423A421-E423 HydrophobicContact CB-CG 3.83Å
422F80.5Confident89.7Confident158 Ų15829.9 Ų29.969%0.69316%0.159SC*.  trans56.345.8-175-57.7-77.2000112.9D419 L774D419-F422 VanDerWaalsContact OD1-CA 3.31Å; D419-F422 WeakPolarHBondContact OD1-CA 3.49Å; D419-F422 PolarHBondContact OD1-N 3.01Å; D419-F422 WeakPolarHBondContact OD2-CA 3.45Å; F422-L774 HydrophobicContact CE2-CD1 3.66Å; F422-L774 HydrophobicContact CZ-CD1 3.55Å
423E75.7Confident89.6Confident67 Ų6730 Ų3031%0.31316%0.16SC..  trans-9612-178.8-64.8177.4-169.700112.9D419 A421 T425 R444D419-E423 PolarHBondContact OD1-N 2.92Å; D419-E423 PolarHBondContact OD2-N 3.29Å; A421-E423 HydrophobicContact CB-CG 3.83Å; E423-T425 PolarHBondContact O-N 2.68Å; E423-R444 IonicContact OE1-CZ 3.76Å; E423-R444 IonicContact OE1-NE 2.74Å; E423-R444 PolarHBondContact OE1-NE 3.46Å; E423-R444 IonicContact OE1-NH2 3.12Å; E423-R444 WeakPolarHBondContact OE2-CD 3.41Å; E423-R444 IonicContact OE2-NE 3.68Å; E423-R444 PolarHBondContact OE2-NE 2.9Å
424D75.8Confident89.5Confident108 Ų10832.6 Ų32.658%0.57817%0.166SC*.SBendtrans63.4-32.2-171.3-67.2-38.1000114.9D419 T1089D419-D424 PolarHBondContact OD2-N 2.89Å; D424-T1089 PolarHBondContact O-OG1 2.96Å; D424-T1089 VanDerWaalsContact O-OG1 3.13Å
425T80.5Confident89.4Confident11 Ų1132.3 Ų32.37%0.06717%0.166CC..SBendtrans-97.6127.6169.347.10000111.1E423 Q427 R697E423-T425 PolarHBondContact O-N 2.68Å; T425-Q427 PolarHBondContact O-NE2 3.25Å; T425-R697 VanDerWaalsContact CG2-CZ 3.5Å; T425-R697 PolarHBondContact OG1-NH1 3.05Å
426P88.2Confident89.2Confident23 Ų2332.8 Ų32.815%0.14917%0.169CC..PPolyproline II helixtrans-62.9142.6178.525.6-31.6000111.1I417 D419 T1086 L1087I417-P426 HydrophobicContact CG2-CB 3.9Å; I417-P426 HydrophobicContact CG2-CG 4.26Å; D419-P426 HydrophobicContact CB-CB 4.48Å; P426-T1086 WeakPolarHBondContact CG-O 3.42Å; P426-L1087 WeakPolarHBondContact CD-O 3.14Å
427Q90.6Very high89.1Confident1 Ų131.9 Ų31.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-94.1154.8174.9-49.483.746.500109.3I417 A418 D419 L420 T425 Y429 V442 R444I417-Q427 WeakPolarHBondContact CA-O 3.45Å; A418-Q427 PolarHBondContact N-O 2.84Å; A418-Q427 VanDerWaalsContact N-O 3.12Å; A418-Q427 PolarHBondContact O-N 3.26Å; A418-Q427 VanDerWaalsContact O-O 3.14Å; A418-Q427 PolarHBondContact O-OE1 3.2Å; D419-Q427 PolarHBondContact OD1-NE2 3.02Å; L420-Q427 VanDerWaalsContact N-OE1 3.08Å; T425-Q427 PolarHBondContact O-NE2 3.25Å; Q427-Y429 HydrophobicContact CB-CD2 4.44Å; Q427-Y429 HydrophobicContact CB-CE2 3.74Å; Q427-Y429 PolarHBondContact OE1-OH 3.08Å; Q427-V442 HydrophobicContact CB-CG1 3.9Å; Q427-V442 HydrophobicContact CG-CG1 4.41Å; Q427-R444 HydrophobicContact CB-CG 4.46Å; Q427-R444 HydrophobicContact CG-CG 3.91Å
428I93.6Very high89.1Confident2 Ų231.6 Ų31.61%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-101.3110.2176.4-48.2177.3000107.4C415 I417 V430 L443 F753 I1104C415-I428 WeakPolarHBondContact SG-CG2 3.18Å; I417-I428 HydrophobicContact CD1-CG1 4.45Å; I417-I428 HydrophobicContact CG1-CB 4.43Å; I417-I428 HydrophobicContact CG1-CG1 4.2Å; I417-I428 HydrophobicContact CG1-CG2 4.07Å; I428-V430 HydrophobicContact CG2-CG2 3.73Å; I428-L443 HydrophobicContact CB-CB 4.06Å; I428-L443 HydrophobicContact CB-CD1 4.22Å; I428-L443 HydrophobicContact CB-CG 4.48Å; I428-L443 HydrophobicContact CG2-CD1 4.25Å; I428-L443 PolarHBondContact N-O 2.85Å; I428-L443 PolarHBondContact O-N 3.27Å; I428-F753 HydrophobicContact CD1-CE1 3.94Å; I428-F753 HydrophobicContact CD1-CZ 4.14Å; I428-I1104 HydrophobicContact CD1-CD1 4.24Å; I428-I1104 HydrophobicContact CD1-CG2 4.37Å; I428-I1104 HydrophobicContact CG2-CD1 4.25Å
429Y94.9Very high89.3Confident1 Ų130.7 Ų30.70%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-91.3120.4176.2-65.1-91.8000108.8C415 E416 A418 L420 Q427 V442 F767 I776 P849C415-Y429 CarbonylContact C-O 3.59Å; C415-Y429 VanDerWaalsContact CA-O 3.26Å; C415-Y429 WeakPolarHBondContact CA-O 3.46Å; E416-Y429 PolarHBondContact N-O 3.19Å; E416-Y429 PolarHBondContact O-N 3.48Å; A418-Y429 WeakPolarHBondContact O-CE2 3.36Å; L420-Y429 HydrophobicContact CB-CE2 4.09Å; L420-Y429 WeakPolarHBondContact CB-OH 3.5Å; L420-Y429 HydrophobicContact CD1-CD1 4.36Å; L420-Y429 HydrophobicContact CD1-CD2 3.99Å; L420-Y429 HydrophobicContact CD1-CE1 4Å; L420-Y429 HydrophobicContact CD1-CE2 3.6Å; L420-Y429 HydrophobicContact CD1-CG 4.38Å; L420-Y429 HydrophobicContact CG-CD2 4.35Å; L420-Y429 HydrophobicContact CG-CE2 3.61Å; Q427-Y429 HydrophobicContact CB-CD2 4.44Å; Q427-Y429 HydrophobicContact CB-CE2 3.74Å; Q427-Y429 PolarHBondContact OE1-OH 3.08Å; Y429-V442 HydrophobicContact CD1-CB 4.45Å; Y429-V442 HydrophobicContact CD1-CG1 4.22Å; Y429-V442 HydrophobicContact CD1-CG2 3.67Å; Y429-V442 HydrophobicContact CE1-CB 4.31Å; Y429-V442 HydrophobicContact CE1-CG1 3.79Å; Y429-V442 HydrophobicContact CE1-CG2 3.57Å; Y429-F767 WeakPolarHBondContact O-CZ 3.34Å; Y429-I776 HydrophobicContact CD1-CD1 3.8Å; Y429-I776 HydrophobicContact CE1-CD1 4.31Å; Y429-I776 HydrophobicContact CG-CD1 4.43Å; Y429-P849 HydrophobicContact CE1-CB 3.79Å
430V95.3Very high89.6Confident0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-125.1117.3-171.2-176.10000109.6L409 I412 I428 C432 M440 K441 L443L409-V430 HydrophobicContact CD2-CB 4.45Å; L409-V430 HydrophobicContact CD2-CG1 4.17Å; I412-V430 HydrophobicContact CB-CG1 4.14Å; I412-V430 HydrophobicContact CD1-CG1 3.96Å; I412-V430 HydrophobicContact CG1-CG1 3.65Å; I412-V430 HydrophobicContact CG2-CG1 3.68Å; I428-V430 HydrophobicContact CG2-CG2 3.73Å; V430-C432 HydrophobicContact CG1-CB 4.13Å; V430-M440 CarbonylContact O-C 3.57Å; V430-M440 WeakPolarHBondContact O-CA 3.12Å; V430-K441 PolarHBondContact N-O 3.25Å; V430-K441 PolarHBondContact O-N 2.94Å; V430-L443 HydrophobicContact CG2-CD1 3.87Å; V430-L443 HydrophobicContact CG2-CG 4.31Å
431A95.6Very high89.9Confident0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-90.5113.5170.100000109.1L413 S414 M440 P764 F767L413-A431 PolarHBondContact N-O 2.91Å; S414-A431 PolarHBondContact N-O 2.91Å; S414-A431 PolarHBondContact O-N 3.35Å; A431-M440 HydrophobicContact CB-CE 4.22Å; A431-M440 HydrophobicContact CB-SD 4.26Å; A431-P764 HydrophobicContact CB-CB 3.8Å; A431-P764 HydrophobicContact CB-CG 3.79Å; A431-F767 HydrophobicContact CB-CD1 3.84Å; A431-F767 HydrophobicContact CB-CE1 4.01Å
432C95Very high90.3Very high2 Ų226.7 Ų26.71%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-139.8174.2-171.4660000113.9L409 P411 V430 S438 S439L409-C432 WeakPolarHBondContact O-CB 3.49Å; P411-C432 WeakPolarHBondContact O-CA 3.35Å; P411-C432 WeakPolarHBondContact O-CB 3.49Å; V430-C432 HydrophobicContact CG1-CB 4.13Å; C432-S438 CarbonylContact O-C 3.57Å; C432-S438 VanDerWaalsContact O-CA 3.31Å; C432-S438 WeakPolarHBondContact O-CA 3.36Å; C432-S439 PolarHBondContact N-O 2.97Å; C432-S439 PolarHBondContact O-N 2.84Å; C432-S439 VanDerWaalsContact O-O 3.13Å; C432-S439 PolarHBondContact SG-O 3.13Å
433G93.4Very high90.9Very high2 Ų219.1 Ų19.12%0.02110%0.098CC..  trans90.3-178.7178.300000113.9P411 S438P411-G433 PolarHBondContact O-N 2.82Å; G433-S438 PolarHBondContact O-OG 2.96Å
434R93.9Very high91.5Very high95 Ų9516.6 Ų16.636%0.3589%0.086SC..SBendtrans-133.2125.7-172.7176.558.9173.1148.52.4111.3F356 I437 S438 T763 D782F356-R434 HydrophobicContact CB-CB 4.02Å; F356-R434 HydrophobicContact CD2-CB 4.28Å; F356-R434 HydrophobicContact CD2-CG 4.27Å; F356-R434 HydrophobicContact CG-CB 4.3Å; R434-I437 HydrophobicContact CB-CG1 4.46Å; R434-I437 WeakPolarHBondContact O-CG1 3.35Å; R434-I437 PolarHBondContact O-N 2.8Å; R434-S438 PolarHBondContact N-OG 3.44Å; R434-T763 PolarHBondContact NH1-OG1 2.82Å; R434-D782 IonicContact CZ-OD1 3.42Å; R434-D782 IonicContact NH1-OD1 3.79Å; R434-D782 PolarHBondContact NH1-OD1 2.89Å
435G91.6Very high91.9Very high8 Ų812.3 Ų12.38%0.0826%0.062CC..G310 helixtrans61.4-130.7174.800000111.6I437 S438 R762 T763 D782G435-I437 VanDerWaalsContact C-N 3.28Å; G435-I437 PolarHBondContact O-N 2.69Å; G435-S438 VanDerWaalsContact O-CB 3.31Å; G435-S438 WeakPolarHBondContact O-CB 3.45Å; G435-S438 PolarHBondContact O-N 3.38Å; G435-S438 PolarHBondContact O-OG 2.78Å; G435-R762 CarbonylContact O-C 3.58Å; G435-R762 VanDerWaalsContact O-C 3.32Å; G435-R762 VanDerWaalsContact O-CA 3.32Å; G435-R762 WeakPolarHBondContact O-CA 3.42Å; G435-T763 PolarHBondContact N-OG1 2.84Å; G435-D782 WeakPolarHBondContact CA-OD2 3.39Å
436P90.6Very high92.1Very high19 Ų1911.9 Ų11.912%0.1236%0.059CC..G310 helixtrans-73.2-16.6-178.431.2-35.2000113.8S438 Q759 N761 P827P436-S438 PolarHBondContact O-N 2.83Å; P436-Q759 PolarHBondContact O-NE2 2.85Å; P436-N761 WeakPolarHBondContact CA-O 3.45Å; P436-P827 HydrophobicContact CB-CB 3.86Å; P436-P827 HydrophobicContact CB-CG 4.28Å; P436-P827 HydrophobicContact CG-CB 4.23Å; P436-P827 WeakPolarHBondContact CG-O 3.34Å
437I92Very high92Very high51 Ų5110.8 Ų10.826%0.2625%0.053SC..G310 helixtrans-87.413.4175.560.4162.8000112.5F356 R434 G435 E828F356-I437 WeakPolarHBondContact O-CD1 3.38Å; R434-I437 HydrophobicContact CB-CG1 4.46Å; R434-I437 WeakPolarHBondContact O-CG1 3.35Å; R434-I437 PolarHBondContact O-N 2.8Å; G435-I437 VanDerWaalsContact C-N 3.28Å; G435-I437 PolarHBondContact O-N 2.69Å; I437-E828 WeakPolarHBondContact CG2-O 3.18Å
438S94.5Very high91.7Very high0 Ų015 Ų150%07%0.072CC..  trans-72.4146.1176.9-78.30000112.3C432 G433 R434 G435 P436 Q759 L760 R762 T763 P764C432-S438 CarbonylContact O-C 3.57Å; C432-S438 VanDerWaalsContact O-CA 3.31Å; C432-S438 WeakPolarHBondContact O-CA 3.36Å; G433-S438 PolarHBondContact O-OG 2.96Å; R434-S438 PolarHBondContact N-OG 3.44Å; G435-S438 VanDerWaalsContact O-CB 3.31Å; G435-S438 WeakPolarHBondContact O-CB 3.45Å; G435-S438 PolarHBondContact O-N 3.38Å; G435-S438 PolarHBondContact O-OG 2.78Å; P436-S438 PolarHBondContact O-N 2.83Å; S438-Q759 PolarHBondContact O-NE2 2.93Å; S438-L760 WeakPolarHBondContact O-CB 3.42Å; S438-L760 PolarHBondContact O-N 2.88Å; S438-R762 WeakPolarHBondContact CB-O 3.22Å; S438-T763 WeakPolarHBondContact OG-CA 3.35Å; S438-P764 VanDerWaalsContact OG-CD 3.27Å; S438-P764 WeakPolarHBondContact OG-CD 2.84Å
439S94.4Very high91.2Very high8 Ų816.1 Ų16.16%0.0568%0.079CC..EExtended strand (participates in β ladder)trans-147.3150.2177.253.50000112.2C432 K441 Y758C432-S439 PolarHBondContact N-O 2.97Å; C432-S439 PolarHBondContact O-N 2.84Å; C432-S439 VanDerWaalsContact O-O 3.13Å; C432-S439 PolarHBondContact SG-O 3.13Å; S439-K441 VanDerWaalsContact OG-CE 3.24Å; S439-K441 WeakPolarHBondContact OG-CE 3.35Å; S439-Y758 CarbonylContact C-O 3.59Å; S439-Y758 WeakPolarHBondContact CA-O 3.4Å; S439-Y758 WeakPolarHBondContact CB-O 3.42Å
440M94.5Very high90.9Very high1 Ų118.6 Ų18.61%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-89.8112.1162.7179.969.578.100107.7V430 A431 Y758 F767 I776 L778 M847V430-M440 CarbonylContact O-C 3.57Å; V430-M440 WeakPolarHBondContact O-CA 3.12Å; A431-M440 HydrophobicContact CB-CE 4.22Å; A431-M440 HydrophobicContact CB-SD 4.26Å; M440-Y758 PolarHBondContact N-O 3.24Å; M440-Y758 PolarHBondContact O-N 3.05Å; M440-F767 HydrophobicContact CE-CB 4.36Å; M440-F767 HydrophobicContact CE-CD1 3.98Å; M440-F767 HydrophobicContact CE-CD2 4.32Å; M440-F767 HydrophobicContact CE-CE1 4.3Å; M440-F767 HydrophobicContact CE-CG 3.99Å; M440-F767 HydrophobicContact SD-CE1 4.43Å; M440-I776 HydrophobicContact CE-CD1 4.34Å; M440-I776 HydrophobicContact CE-CG2 3.79Å; M440-L778 HydrophobicContact CE-CD2 4Å; M440-M847 HydrophobicContact CB-CE 4.42Å; M440-M847 HydrophobicContact CB-SD 4.04Å; M440-M847 HydrophobicContact CG-SD 4.18Å
441K93.4Very high90.5Very high3 Ų322.9 Ų22.91%0.01311%0.112CC..EExtended strand (participates in β ladder)trans-102.4133.5178.9-63.1-169.6179.2-1750110.4N358 S408 L409 V430 S439 Y755 T756 S757N358-K441 PolarHBondContact OD1-NZ 3.24Å; S408-K441 PolarHBondContact O-NZ 2.86Å; L409-K441 HydrophobicContact CD2-CB 4.29Å; L409-K441 HydrophobicContact CD2-CD 3.86Å; V430-K441 PolarHBondContact N-O 3.25Å; V430-K441 PolarHBondContact O-N 2.94Å; S439-K441 VanDerWaalsContact OG-CE 3.24Å; S439-K441 WeakPolarHBondContact OG-CE 3.35Å; K441-Y755 HydrophobicContact CD-CD1 4.45Å; K441-T756 CarbonylContact C-O 3.54Å; K441-T756 VanDerWaalsContact CA-O 3.29Å; K441-T756 WeakPolarHBondContact CA-O 3.37Å; K441-S757 WeakPolarHBondContact CE-OG 3.28Å
442V93Very high90.2Very high0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-104.4116.3171.6-172.10000108Q427 Y429 R444 T756 Y758Q427-V442 HydrophobicContact CB-CG1 3.9Å; Q427-V442 HydrophobicContact CG-CG1 4.41Å; Y429-V442 HydrophobicContact CD1-CB 4.45Å; Y429-V442 HydrophobicContact CD1-CG1 4.22Å; Y429-V442 HydrophobicContact CD1-CG2 3.67Å; Y429-V442 HydrophobicContact CE1-CB 4.31Å; Y429-V442 HydrophobicContact CE1-CG1 3.79Å; Y429-V442 HydrophobicContact CE1-CG2 3.57Å; V442-R444 HydrophobicContact CG1-CG 4.47Å; V442-T756 PolarHBondContact N-O 3.49Å; V442-T756 PolarHBondContact O-N 3.34Å; V442-Y758 HydrophobicContact CG2-CD2 4.42Å; V442-Y758 HydrophobicContact CG2-CE2 3.8Å
443L91.6Very high89.9Confident0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-95.8125.7175.3-49.5170.4000109.3L409 I428 V430 F753 N754 Y755 I1104L409-L443 HydrophobicContact CD1-CD1 3.93Å; L409-L443 HydrophobicContact CD1-CD2 4.39Å; L409-L443 HydrophobicContact CD2-CD1 4.3Å; L409-L443 HydrophobicContact CD2-CD2 4.09Å; I428-L443 HydrophobicContact CB-CB 4.06Å; I428-L443 HydrophobicContact CB-CD1 4.22Å; I428-L443 HydrophobicContact CB-CG 4.48Å; I428-L443 HydrophobicContact CG2-CD1 4.25Å; I428-L443 PolarHBondContact N-O 2.85Å; I428-L443 PolarHBondContact O-N 3.27Å; V430-L443 HydrophobicContact CG2-CD1 3.87Å; V430-L443 HydrophobicContact CG2-CG 4.31Å; L443-F753 HydrophobicContact CB-CB 4.45Å; L443-F753 HydrophobicContact CB-CD1 3.99Å; L443-F753 HydrophobicContact CB-CG 4.44Å; L443-F753 HydrophobicContact CD2-CB 4.49Å; L443-N754 WeakPolarHBondContact CA-O 3.47Å; L443-Y755 HydrophobicContact CD2-CD1 3.18Å; L443-Y755 HydrophobicContact CD2-CE1 3.31Å; L443-Y755 HydrophobicContact CD2-CG 4.03Å; L443-I1104 HydrophobicContact CD1-CD1 3.28Å
444R88.4Confident89.8Confident14 Ų1433 Ų335%0.05317%0.169CC..EExtended strand (participates in β ladder)trans-117.9133.3172.3-67.3178.4-177.580.3-1.7108.7E423 Q427 V442 G446 R714 F753 N754 T756E423-R444 IonicContact OE1-CZ 3.76Å; E423-R444 IonicContact OE1-NE 2.74Å; E423-R444 PolarHBondContact OE1-NE 3.46Å; E423-R444 IonicContact OE1-NH2 3.12Å; E423-R444 WeakPolarHBondContact OE2-CD 3.41Å; E423-R444 IonicContact OE2-NE 3.68Å; E423-R444 PolarHBondContact OE2-NE 2.9Å; Q427-R444 HydrophobicContact CB-CG 4.46Å; Q427-R444 HydrophobicContact CG-CG 3.91Å; V442-R444 HydrophobicContact CG1-CG 4.47Å; R444-G446 PolarHBondContact O-N 2.8Å; R444-R714 VanDerWaalsContact CZ-NH2 3.28Å; R444-F753 WeakPolarHBondContact O-CA 3.46Å; R444-N754 PolarHBondContact N-O 3.46Å; R444-N754 VanDerWaalsContact N-O 3.09Å; R444-N754 PolarHBondContact O-N 2.93Å; R444-T756 PolarHBondContact NH1-OG1 3.41Å
445H85.6Confident89.6Confident18 Ų1831.3 Ų31.38%0.08317%0.172CC..EExtended strand (participates in β ladder)trans-71.9123.4172.8172.4-133.9000109.9P712 V752 F753 F1195H445-P712 WeakPolarHBondContact CE1-CD 3.29Å; H445-P712 VanDerWaalsContact CE1-CG 3.42Å; H445-P712 WeakPolarHBondContact CE1-CG 3.36Å; H445-P712 WeakPolarHBondContact ND1-CG 3.42Å; H445-P712 VanDerWaalsContact NE2-CD 3.33Å; H445-P712 WeakPolarHBondContact NE2-CD 3.47Å; H445-V752 WeakPolarHBondContact CD2-CG1 3.04Å; H445-V752 PolarHBondContact CD2-O 2.83Å; H445-F753 HydrophobicContact CB-CD1 4.44Å; H445-F753 HydrophobicContact CB-CE1 4.26Å; H445-F1195 HydrophobicContact CB-CD1 3.85Å; H445-F1195 HydrophobicContact CB-CD2 4.34Å; H445-F1195 HydrophobicContact CB-CE1 3.66Å; H445-F1195 HydrophobicContact CB-CE2 4.21Å; H445-F1195 HydrophobicContact CB-CG 4.17Å; H445-F1195 HydrophobicContact CB-CZ 3.84Å; H445-F1195 AromaticContact CD2-CG 3.78Å; H445-F1195 VanDerWaalsContact CE1-CB 3.49Å; H445-F1195 WeakPolarHBondContact CE1-CB 3.3Å; H445-F1195 AromaticContact CE1-CD1 3.47Å; H445-F1195 VanDerWaalsContact CE1-CD1 3.47Å; H445-F1195 WeakPolarHBondContact CE1-CD1 3.35Å; H445-F1195 AromaticContact CE1-CG 3.69Å; H445-F1195 AromaticContact CG-CD1 3.36Å; H445-F1195 AromaticContact CG-CE1 3.72Å; H445-F1195 AromaticContact CG-CG 3.57Å; H445-F1195 AromaticContact ND1-CD1 3Å; H445-F1195 WeakPolarHBondContact ND1-CD1 3.31Å; H445-F1195 AromaticContact ND1-CE1 3.56Å; H445-F1195 AromaticContact ND1-CG 3.55Å; H445-F1195 AromaticContact NE2-CG 3.89Å
446G85.1Confident89.6Confident1 Ų138.5 Ų38.51%0.0120%0.204CC..SBendtrans149.2165.6171.800000112.9R444 P712 V752 N754R444-G446 PolarHBondContact O-N 2.8Å; G446-P712 CarbonylContact C-O 3.56Å; G446-P712 WeakPolarHBondContact CA-O 3.36Å; G446-V752 PolarHBondContact N-O 3.14Å; G446-N754 PolarHBondContact O-ND2 3.08Å; G446-N754 PolarHBondContact O-OD1 2.85Å
447L85.7Confident89.5Confident1 Ų138.2 Ų38.21%0.00520%0.201CC..BIsolated β-bridgetrans-73.4140.4176.8-65.8173.3000111L700 Y702 T711 P712 R714 I746 L749 N754L447-L700 HydrophobicContact CD1-CB 4.06Å; L447-L700 HydrophobicContact CD1-CD2 3.66Å; L447-L700 HydrophobicContact CD1-CG 4.49Å; L447-Y702 HydrophobicContact CD1-CE1 4.11Å; L447-T711 WeakPolarHBondContact CD1-OG1 3.41Å; L447-T711 VanDerWaalsContact CG-OG1 3.29Å; L447-T711 WeakPolarHBondContact CG-OG1 3.44Å; L447-P712 PolarHBondContact N-O 2.65Å; L447-R714 PolarHBondContact O-N 3.06Å; L447-R714 VanDerWaalsContact O-N 3.15Å; L447-I746 HydrophobicContact CB-CG2 4.45Å; L447-I746 HydrophobicContact CD1-CD1 4.28Å; L447-I746 HydrophobicContact CD1-CG2 4.36Å; L447-L749 HydrophobicContact CD1-CD2 4.43Å; L447-N754 VanDerWaalsContact C-ND2 3.32Å; L447-N754 PolarHBondContact O-ND2 2.81Å
448E82.8Confident89.3Confident90 Ų9040.7 Ų40.742%0.42122%0.22SC..  trans-72.1136.5170.6-163.8170.6-169.600109.9K748 N754E448-K748 IonicContact OE2-NZ 3.38Å; E448-N754 WeakPolarHBondContact CB-OD1 3.27Å; E448-N754 PolarHBondContact N-ND2 3.15Å; E448-N754 PolarHBondContact N-OD1 3.3Å
449V84.9Confident88.9Confident24 Ų2442.9 Ų42.915%0.14524%0.243CC..  trans-121131177.3-1770000109.1I713 Y715 L744V449-I713 HydrophobicContact CG2-CG2 3.11Å; V449-Y715 HydrophobicContact CB-CD2 4.2Å; V449-Y715 HydrophobicContact CG1-CD2 4.26Å; V449-Y715 HydrophobicContact CG1-CE2 4.42Å; V449-L744 HydrophobicContact CG1-CB 3.62Å; V449-L744 HydrophobicContact CG1-CD1 3.93Å; V449-L744 HydrophobicContact CG1-CD2 3.73Å; V449-L744 HydrophobicContact CG1-CG 3.94Å
450I86.8Confident88.6Confident53 Ų5348.3 Ų48.327%0.27227%0.271SS..EExtended strand (participates in β ladder)trans-95.4124.4170.9-58.5-177.6000108.3M452 L744 M745 E747I450-M452 HydrophobicContact CG2-SD 3.99Å; I450-M452 PolarHBondContact O-N 2.87Å; I450-L744 WeakPolarHBondContact O-CA 3.3Å; I450-M745 HydrophobicContact CD1-CE 4.18Å; I450-M745 PolarHBondContact N-O 2.74Å; I450-M745 PolarHBondContact O-N 3.48Å; I450-E747 HydrophobicContact CD1-CB 4.42Å; I450-E747 HydrophobicContact CD1-CG 3.55Å; I450-E747 VanDerWaalsContact CD1-OE1 3.3Å; I450-E747 WeakPolarHBondContact CD1-OE1 3.43Å; I450-E747 WeakPolarHBondContact CD1-OE2 3.24Å
451E87.8Confident88.5Confident91 Ų9148.8 Ų48.843%0.42527%0.274SS..EExtended strand (participates in β ladder)trans-83.3109.7173.5-62.2-176.6152.200109.3Y715 R742 L744E451-Y715 VanDerWaalsContact CD-OH 3.28Å; E451-Y715 HydrophobicContact CG-CE2 3.75Å; E451-Y715 WeakPolarHBondContact CG-OH 3.39Å; E451-Y715 WeakPolarHBondContact OE1-CE2 3.49Å; E451-Y715 PolarHBondContact OE1-OH 2.85Å; E451-R742 IonicContact OE1-NH1 2.89Å; E451-R742 PolarHBondContact OE1-NH1 3.04Å; E451-L744 HydrophobicContact CG-CD2 4Å
452M88.3Confident88.3Confident79 Ų7951.9 Ų51.939%0.38929%0.291SS..EExtended strand (participates in β ladder)trans-83.1-39.5178.7-63.6-59-65.800111.7I450 I743 M745I450-M452 HydrophobicContact CG2-SD 3.99Å; I450-M452 PolarHBondContact O-N 2.87Å; M452-I743 HydrophobicContact CB-CB 4.28Å; M452-I743 HydrophobicContact CB-CG2 4.1Å; M452-I743 PolarHBondContact N-O 2.85Å; M452-M745 HydrophobicContact CG-CB 4.18Å; M452-M745 HydrophobicContact SD-CE 4.11Å
453A89.6Confident88.3Confident46 Ų4652.6 Ų52.638%0.3830%0.297SS..EExtended strand (participates in β ladder)trans-153.1149.1179.500000111.8R742 I743A453-R742 WeakPolarHBondContact O-CA 3.43Å; A453-I743 HydrophobicContact CB-CB 4.22Å; A453-I743 HydrophobicContact CB-CD1 4.1Å; A453-I743 HydrophobicContact CB-CG1 4.23Å; A453-I743 PolarHBondContact O-N 3.34Å
454I90.6Very high88.4Confident90 Ų9052.6 Ų52.646%0.46230%0.297SS..EExtended strand (participates in β ladder)trans-131.3128.7173.7-57.6174.1000107.9R742I454-R742 HydrophobicContact CG1-CG 4.33Å; I454-R742 HydrophobicContact CG2-CG 4.33Å
455S91Very high88.7Confident61 Ų6154.1 Ų54.143%0.42730%0.303SS..EExtended strand (participates in β ladder)trans-129.2127.2171.3-174.10000109.4S740 L741S455-S740 CarbonylContact O-C 3.59Å; S455-S740 WeakPolarHBondContact O-CA 3.38Å; S455-L741 PolarHBondContact N-O 2.76Å; S455-L741 PolarHBondContact O-N 2.85Å
456E91.2Very high89.1Confident159 Ų15954.1 Ų54.174%0.74330%0.304SS*.EExtended strand (participates in β ladder)trans-72140169.6-65.2-170.9168.300109.8
457L89Confident89.4Confident13 Ų1354.2 Ų54.27%0.06830%0.304CS..  trans-112146.8179.7-70.2174.6000110.7G459 P461 V481 F483 L488 N739 L741L457-G459 PolarHBondContact O-N 2.91Å; L457-P461 HydrophobicContact CD1-CB 4.06Å; L457-P461 HydrophobicContact CD1-CG 3.79Å; L457-V481 HydrophobicContact CD1-CG1 3.79Å; L457-V481 HydrophobicContact CD1-CG2 4.46Å; L457-F483 HydrophobicContact CB-CE1 4.46Å; L457-F483 HydrophobicContact CB-CZ 4.28Å; L457-L488 HydrophobicContact CD2-CD2 4.01Å; L457-N739 PolarHBondContact N-O 3.05Å; L457-L741 HydrophobicContact CD1-CB 3.75Å; L457-L741 HydrophobicContact CD2-CB 4.36Å; L457-L741 HydrophobicContact CG-CB 3.95Å
458P86.4Confident89.6Confident102 Ų10256.4 Ų56.466%0.66231%0.314SS*.SBendtrans-72.5110175.328.9-32.9000110.8F483P458-F483 WeakPolarHBondContact O-CE1 3.42Å
459G86.4Confident89.9Confident46 Ų4658.6 Ų58.647%0.47432%0.322SS..SBendtrans87.8-160.6176.400000113.8L457 P461L457-G459 PolarHBondContact O-N 2.91Å; G459-P461 WeakPolarHBondContact O-CD 3.42Å
460N88.6Confident90Very high122 Ų12260.3 Ų60.365%0.65233%0.328SS*.  trans-103.198.5-176.1-70.2-12.5000110.1
461P92.2Very high90Very high11 Ų1160.5 Ų60.57%0.07133%0.332CS..EExtended strand (participates in β ladder)trans-66.3145.3173.330.1-37.7000110.9L457 G459 V481 S482 F483 I736L457-P461 HydrophobicContact CD1-CB 4.06Å; L457-P461 HydrophobicContact CD1-CG 3.79Å; G459-P461 WeakPolarHBondContact O-CD 3.42Å; P461-V481 HydrophobicContact CB-CG1 3.6Å; P461-S482 CarbonylContact C-O 3.45Å; P461-S482 WeakPolarHBondContact CA-O 3.43Å; P461-F483 HydrophobicContact CB-CD1 4.08Å; P461-F483 HydrophobicContact CB-CE1 3.79Å; P461-F483 HydrophobicContact CB-CZ 4.29Å; P461-F483 HydrophobicContact CG-CE1 4.37Å; P461-I736 HydrophobicContact CB-CD1 3.85Å; P461-I736 HydrophobicContact CB-CG1 4.4Å; P461-I736 HydrophobicContact CB-CG2 4.26Å; P461-I736 HydrophobicContact CG-CD1 4.22Å; P461-I736 HydrophobicContact CG-CG1 4.28Å; P461-I736 HydrophobicContact CG-CG2 3.51Å
462N89.9Confident89.9Confident68 Ų6862.3 Ų62.336%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-104.6-30.6-178.460.413.6000113.5S482 F483N462-S482 PolarHBondContact N-O 3.46Å; N462-S482 WeakPolarHBondContact OD1-CB 3.45Å; N462-S482 PolarHBondContact OD1-O 3.45Å; N462-S482 PolarHBondContact OD1-OG 2.87Å; N462-F483 PolarHBondContact ND2-O 3.47Å; N462-F483 VanDerWaalsContact ND2-O 3.1Å
463A92.4Very high89.9Confident15 Ų1561.6 Ų61.612%0.12434%0.342CS..EExtended strand (participates in β ladder)trans-155.9154.2-17600000112W465 S482 S720 I736A463-W465 HydrophobicContact CB-CH2 3.21Å; A463-W465 HydrophobicContact CB-CZ2 3.58Å; A463-W465 HydrophobicContact CB-CZ3 3.73Å; A463-S482 PolarHBondContact O-N 3.41Å; A463-S720 WeakPolarHBondContact CA-OG 3.23Å; A463-I736 VanDerWaalsContact C-CD1 3.44Å
464V94.5Very high89.7Confident1 Ų167.1 Ų67.11%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-134.2141.7175.661.20000111I479 V480 V481 S720 V734 I736 L741V464-I479 HydrophobicContact CG2-CG2 3.73Å; V464-V480 CarbonylContact C-O 3.33Å; V464-V480 WeakPolarHBondContact CA-O 3.45Å; V464-V481 HydrophobicContact CG2-CG2 4.27Å; V464-S720 PolarHBondContact N-OG 3.31Å; V464-V734 HydrophobicContact CG2-CG1 3.69Å; V464-I736 HydrophobicContact CB-CD1 3.61Å; V464-I736 HydrophobicContact CB-CG1 4.08Å; V464-I736 HydrophobicContact CG1-CD1 3.87Å; V464-I736 HydrophobicContact CG1-CG1 4.03Å; V464-L741 HydrophobicContact CG2-CD1 4.13Å
465W94.2Very high89.7Confident46 Ų4665 Ų6517%0.17435%0.35CS..EExtended strand (participates in β ladder)trans-136.2147.5171.4-57.5-87.5000110.5A463 I479 V480 T510 L511 C513A463-W465 HydrophobicContact CB-CH2 3.21Å; A463-W465 HydrophobicContact CB-CZ2 3.58Å; A463-W465 HydrophobicContact CB-CZ3 3.73Å; W465-I479 CarbonylContact O-C 3.59Å; W465-I479 WeakPolarHBondContact O-CA 3.5Å; W465-V480 HydrophobicContact CE3-CG1 4.46Å; W465-V480 PolarHBondContact N-O 2.63Å; W465-V480 PolarHBondContact O-N 2.63Å; W465-T510 HydrophobicContact CH2-CG2 4.37Å; W465-T510 VanDerWaalsContact CH2-O 3.25Å; W465-T510 WeakPolarHBondContact CH2-O 3.31Å; W465-T510 HydrophobicContact CZ3-CG2 3.98Å; W465-L511 WeakPolarHBondContact CZ2-O 3.42Å; W465-C513 HydrophobicContact CB-CB 4.27Å; W465-C513 HydrophobicContact CG-CB 4.43Å
466T93.4Very high89.7Confident17 Ų1762.9 Ų62.910%0.10433%0.334CS..EExtended strand (participates in β ladder)trans-108.1141.2168.949.50000108.9Y478 I479 S722 S723 F724 V734T466-Y478 CarbonylContact C-O 3.59Å; T466-Y478 WeakPolarHBondContact CA-O 3.41Å; T466-I479 HydrophobicContact CG2-CG1 4.29Å; T466-S722 PolarHBondContact N-OG 2.82Å; T466-S722 PolarHBondContact OG1-OG 2.94Å; T466-S723 VanDerWaalsContact CB-O 3.31Å; T466-S723 WeakPolarHBondContact CB-O 3.42Å; T466-S723 WeakPolarHBondContact CG2-O 3.32Å; T466-S723 PolarHBondContact OG1-O 3.07Å; T466-F724 HydrophobicContact CG2-CB 4.31Å; T466-F724 HydrophobicContact CG2-CD2 3.92Å; T466-V734 HydrophobicContact CG2-CB 4.32Å; T466-V734 HydrophobicContact CG2-CG2 4.02Å
467V91.6Very high89.7Confident3 Ų356.4 Ų56.42%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-140.8133.5-179.4-159.40000110.7A477 Y478 C513 L515 L521V467-A477 PolarHBondContact O-N 2.85Å; V467-Y478 PolarHBondContact N-O 3.47Å; V467-Y478 PolarHBondContact O-N 2.75Å; V467-C513 HydrophobicContact CG2-CB 4.09Å; V467-L515 HydrophobicContact CG1-CB 3.95Å; V467-L521 HydrophobicContact CB-CD2 4.3Å; V467-L521 HydrophobicContact CG1-CD2 3.37Å
468K90.9Very high89.9Confident48 Ų4857.5 Ų57.521%0.20931%0.31CS..  trans-75156.1170.1-58.5-169.6167.9-161.50111.2H470 D473 E474 D476 L515K468-H470 WeakPolarHBondContact CB-O 3.49Å; K468-D473 WeakPolarHBondContact CD-O 3.12Å; K468-D473 WeakPolarHBondContact CE-O 3.38Å; K468-D473 PolarHBondContact NZ-O 2.78Å; K468-E474 WeakPolarHBondContact CE-O 3.27Å; K468-E474 PolarHBondContact NZ-O 2.79Å; K468-D476 WeakPolarHBondContact CG-OD1 3.24Å; K468-L515 HydrophobicContact CB-CD2 4.38Å
469K87.3Confident90.2Very high135 Ų13552.7 Ų52.759%0.58728%0.279SS*.SBendtrans-81.8-42.3174-173178.6179.1-178.10111A477K469-A477 HydrophobicContact CB-CB 3.89Å
470H88.8Confident90.6Very high60 Ų6050.5 Ų50.528%0.27826%0.257SS..SBendtrans-126.3152.7173.4-162.7-96.9000110.6K468 D472 D473 A518K468-H470 WeakPolarHBondContact CB-O 3.49Å; H470-D472 IonicContact CE1-OD2 3.89Å; H470-D472 PolarHBondContact CE1-OD2 3.24Å; H470-D472 PolarHBondContact ND1-N 2.94Å; H470-D472 IonicContact ND1-OD2 3.8Å; H470-D472 PolarHBondContact ND1-OD2 2.86Å; H470-D472 PolarHBondContact O-N 3.34Å; H470-D473 WeakPolarHBondContact CB-OD2 3.42Å; H470-D473 PolarHBondContact N-OD2 2.73Å; H470-D473 WeakPolarHBondContact O-CB 3.37Å; H470-D473 PolarHBondContact O-N 2.83Å; H470-A518 CarbonylContact C-O 3.56Å; H470-A518 WeakPolarHBondContact CA-O 3.38Å; H470-A518 PolarHBondContact CD2-O 3.18Å
471V85.2Confident90.9Very high57 Ų5744.7 Ų44.735%0.34523%0.225SC..THydrogen-bonded Turntrans-63.4-29.6179.565.90000113.1L515 A518V471-L515 HydrophobicContact CB-CD2 4.07Å; V471-A518 HydrophobicContact CG1-CB 4.43Å; V471-A518 PolarHBondContact N-O 3.22Å
472D86.9Confident91Very high129 Ų12944.1 Ų44.169%0.6922%0.222SC*.THydrogen-bonded Turntrans-85-6.7-179.4-59.2-32.5000113.3H470H470-D472 IonicContact CE1-OD2 3.89Å; H470-D472 PolarHBondContact CE1-OD2 3.24Å; H470-D472 PolarHBondContact ND1-N 2.94Å; H470-D472 IonicContact ND1-OD2 3.8Å; H470-D472 PolarHBondContact ND1-OD2 2.86Å; H470-D472 PolarHBondContact O-N 3.34Å
473D88.2Confident91.1Very high64 Ų6442 Ų4234%0.34221%0.21SC..  trans-69.4135.4177.1-65-23.5000109.3K468 H470K468-D473 WeakPolarHBondContact CD-O 3.12Å; K468-D473 WeakPolarHBondContact CE-O 3.38Å; K468-D473 PolarHBondContact NZ-O 2.78Å; H470-D473 WeakPolarHBondContact CB-OD2 3.42Å; H470-D473 PolarHBondContact N-OD2 2.73Å; H470-D473 WeakPolarHBondContact O-CB 3.37Å; H470-D473 PolarHBondContact O-N 2.83Å
474E85.9Confident90.9Very high163 Ų16346.1 Ų46.176%0.76223%0.233SC*.SBendtrans-69-41.8175.5-67.3-175171.500110.6K468K468-E474 WeakPolarHBondContact CE-O 3.27Å; K468-E474 PolarHBondContact NZ-O 2.79Å
475N89.7Confident90.7Very high46 Ų4652.3 Ų52.325%0.24627%0.266CS..SBendtrans-97.2156.4-174.4-61.4-30.3000113.6S726 D727N475-S726 WeakPolarHBondContact OD1-CA 3.36Å; N475-D727 VanDerWaalsContact ND2-CG 3.28Å; N475-D727 PolarHBondContact ND2-OD1 2.93Å
476D91.1Very high90.6Very high16 Ų1651.9 Ų51.99%0.08627%0.272CS..  trans-76.6146.5169.1-64.7-46.6000111K468 I492 F724 S725K468-D476 WeakPolarHBondContact CG-OD1 3.24Å; D476-I492 HydrophobicContact CB-CD1 3.68Å; D476-I492 VanDerWaalsContact O-CD1 3.29Å; D476-I492 WeakPolarHBondContact O-CD1 3.16Å; D476-F724 WeakPolarHBondContact OD2-CA 3.32Å; D476-S725 PolarHBondContact N-O 3.22Å; D476-S725 PolarHBondContact OD2-N 2.96Å
477A91Very high90.6Very high22 Ų2251.6 Ų51.618%0.18227%0.271CS..  trans-105.2-33.1-176.900000113V467 K469 S491 I492V467-A477 PolarHBondContact O-N 2.85Å; K469-A477 HydrophobicContact CB-CB 3.89Å; A477-S491 WeakPolarHBondContact O-CA 3.27Å; A477-I492 PolarHBondContact O-N 2.84Å
478Y92.7Very high90.7Very high36 Ų3652.5 Ų52.514%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-131.5141.1-177.4-58.5-74000112.6T466 V467 V489 L490T466-Y478 CarbonylContact C-O 3.59Å; T466-Y478 WeakPolarHBondContact CA-O 3.41Å; V467-Y478 PolarHBondContact N-O 3.47Å; V467-Y478 PolarHBondContact O-N 2.75Å; Y478-V489 HydrophobicContact CD1-CG1 3.92Å; Y478-V489 HydrophobicContact CG-CG1 4.35Å; Y478-L490 CarbonylContact C-O 3.57Å; Y478-L490 VanDerWaalsContact CA-O 3.25Å; Y478-L490 WeakPolarHBondContact CA-O 3.36Å
479I93.6Very high90.8Very high1 Ų150.6 Ų50.61%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-107.3117.5163.9-58.2169.9000107.5V464 W465 T466 V481 L490 I492 F724 V734 L741V464-I479 HydrophobicContact CG2-CG2 3.73Å; W465-I479 CarbonylContact O-C 3.59Å; W465-I479 WeakPolarHBondContact O-CA 3.5Å; T466-I479 HydrophobicContact CG2-CG1 4.29Å; I479-V481 HydrophobicContact CG2-CG2 4.13Å; I479-L490 HydrophobicContact CB-CB 4.29Å; I479-L490 PolarHBondContact N-O 2.91Å; I479-L490 PolarHBondContact O-N 3.29Å; I479-I492 HydrophobicContact CD1-CD1 4.29Å; I479-I492 HydrophobicContact CD1-CG1 4.01Å; I479-I492 HydrophobicContact CG1-CD1 3.81Å; I479-I492 HydrophobicContact CG1-CG1 3.88Å; I479-F724 HydrophobicContact CD1-CD2 4.46Å; I479-F724 HydrophobicContact CD1-CE2 3.98Å; I479-F724 HydrophobicContact CG1-CE2 4.38Å; I479-V734 HydrophobicContact CD1-CG2 4.09Å; I479-V734 HydrophobicContact CG2-CG1 4.19Å; I479-L741 HydrophobicContact CG2-CD2 4.37Å
480V94.2Very high91.1Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-104.3117.7178.4-176.20000108.9V464 W465 T487 V489 F504V464-V480 CarbonylContact C-O 3.33Å; V464-V480 WeakPolarHBondContact CA-O 3.45Å; W465-V480 HydrophobicContact CE3-CG1 4.46Å; W465-V480 PolarHBondContact N-O 2.63Å; W465-V480 PolarHBondContact O-N 2.63Å; V480-T487 HydrophobicContact CG1-CG2 3.37Å; V480-V489 HydrophobicContact CG1-CG2 4.29Å; V480-V489 HydrophobicContact CG2-CG1 4.3Å; V480-V489 HydrophobicContact CG2-CG2 4.25Å; V480-F504 HydrophobicContact CG2-CD2 4.46Å; V480-F504 HydrophobicContact CG2-CE2 4.14Å; V480-F504 HydrophobicContact CG2-CZ 4.25Å
481V94.4Very high91.2Very high0 Ų043.6 Ų43.60%024%0.241CC..EExtended strand (participates in β ladder)trans-109.9119178.4-178.10000109.1L457 P461 V464 I479 F483 T487 L488 I736 L741L457-V481 HydrophobicContact CD1-CG1 3.79Å; L457-V481 HydrophobicContact CD1-CG2 4.46Å; P461-V481 HydrophobicContact CB-CG1 3.6Å; V464-V481 HydrophobicContact CG2-CG2 4.27Å; I479-V481 HydrophobicContact CG2-CG2 4.13Å; V481-F483 HydrophobicContact CB-CE2 4.46Å; V481-F483 HydrophobicContact CG1-CE2 3.93Å; V481-F483 HydrophobicContact CG1-CZ 3.99Å; V481-T487 CarbonylContact O-C 3.24Å; V481-T487 WeakPolarHBondContact O-CA 3.09Å; V481-L488 HydrophobicContact CB-CB 4.39Å; V481-L488 PolarHBondContact N-O 2.74Å; V481-L488 PolarHBondContact O-N 2.68Å; V481-I736 HydrophobicContact CG1-CD1 4.42Å; V481-L741 HydrophobicContact CG2-CD1 4.13Å
482S94.4Very high91.3Very high0 Ų042.4 Ų42.40%023%0.232CC..EExtended strand (participates in β ladder)trans-93143.9175.2171.30000111P461 N462 A463 T510P461-S482 CarbonylContact C-O 3.45Å; P461-S482 WeakPolarHBondContact CA-O 3.43Å; N462-S482 PolarHBondContact N-O 3.46Å; N462-S482 WeakPolarHBondContact OD1-CB 3.45Å; N462-S482 PolarHBondContact OD1-O 3.45Å; N462-S482 PolarHBondContact OD1-OG 2.87Å; A463-S482 PolarHBondContact O-N 3.41Å; S482-T510 PolarHBondContact OG-N 3.34Å; S482-T510 VanDerWaalsContact OG-N 3.08Å; S482-T510 PolarHBondContact OG-O 3.27Å; S482-T510 VanDerWaalsContact OG-O 3.11Å
483F92.8Very high91Very high23 Ų2338.8 Ų38.810%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-117.7178.6170.6-61.8-90.3000108.8L457 P458 P461 N462 V481 N485 A486 L488 S509L457-F483 HydrophobicContact CB-CE1 4.46Å; L457-F483 HydrophobicContact CB-CZ 4.28Å; P458-F483 WeakPolarHBondContact O-CE1 3.42Å; P461-F483 HydrophobicContact CB-CD1 4.08Å; P461-F483 HydrophobicContact CB-CE1 3.79Å; P461-F483 HydrophobicContact CB-CZ 4.29Å; P461-F483 HydrophobicContact CG-CE1 4.37Å; N462-F483 PolarHBondContact ND2-O 3.47Å; N462-F483 VanDerWaalsContact ND2-O 3.1Å; V481-F483 HydrophobicContact CB-CE2 4.46Å; V481-F483 HydrophobicContact CG1-CE2 3.93Å; V481-F483 HydrophobicContact CG1-CZ 3.99Å; F483-N485 VanDerWaalsContact C-N 3.28Å; F483-N485 PolarHBondContact O-N 3.34Å; F483-A486 WeakPolarHBondContact CA-O 3.29Å; F483-A486 WeakPolarHBondContact CB-O 3.49Å; F483-A486 PolarHBondContact N-O 3.42Å; F483-L488 HydrophobicContact CE2-CB 3.76Å; F483-L488 HydrophobicContact CE2-CD2 4.38Å; F483-S509 WeakPolarHBondContact O-CB 3.22Å
484V88.9Confident90.4Very high101 Ų10143 Ų4361%0.61225%0.248SC*.SBendtrans-60.4-37.6179.4-177.10000112.3S509V484-S509 WeakPolarHBondContact O-CB 3.42Å
485N89.1Confident90.1Very high131 Ų13139.4 Ų39.470%0.70124%0.237SC*.SBendtrans-1263.7-174.2-65.6-25000114.1F483 T507F483-N485 VanDerWaalsContact C-N 3.28Å; F483-N485 PolarHBondContact O-N 3.34Å; N485-T507 CarbonylContact O-C 3.54Å
486A92.9Very high89.9Confident38 Ų3840.9 Ų40.931%0.31425%0.248SC..  trans-152.5166-174.600000110.8F483 G506 T508F483-A486 WeakPolarHBondContact CA-O 3.29Å; F483-A486 WeakPolarHBondContact CB-O 3.49Å; F483-A486 PolarHBondContact N-O 3.42Å; A486-G506 CarbonylContact C-O 3.44Å; A486-G506 VanDerWaalsContact CA-O 3.28Å; A486-G506 WeakPolarHBondContact CA-O 3.21Å; A486-G506 WeakPolarHBondContact CB-O 3.33Å; A486-T508 CarbonylContact C-O 3.59Å
487T93.2Very high89.8Confident11 Ų1145.8 Ų45.87%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-131.7129.7171.8-59.60000108.6V480 V481 G506 T508 T510V480-T487 HydrophobicContact CG1-CG2 3.37Å; V481-T487 CarbonylContact O-C 3.24Å; V481-T487 WeakPolarHBondContact O-CA 3.09Å; T487-G506 PolarHBondContact N-O 3.18Å; T487-G506 VanDerWaalsContact O-CA 3.23Å; T487-G506 WeakPolarHBondContact O-CA 3.32Å; T487-T508 PolarHBondContact N-O 2.83Å; T487-T508 PolarHBondContact OG1-O 2.78Å; T487-T510 WeakPolarHBondContact CG2-OG1 3.39Å; T487-T510 WeakPolarHBondContact OG1-CB 3.48Å; T487-T510 PolarHBondContact OG1-N 3.4Å; T487-T510 PolarHBondContact OG1-OG1 2.65Å
488L93.4Very high89.7Confident22 Ų2251.2 Ų51.212%0.11529%0.292CS..EExtended strand (participates in β ladder)trans-102.5137.1174.7178.367000108.9L457 V481 F483 L490 E498L457-L488 HydrophobicContact CD2-CD2 4.01Å; V481-L488 HydrophobicContact CB-CB 4.39Å; V481-L488 PolarHBondContact N-O 2.74Å; V481-L488 PolarHBondContact O-N 2.68Å; F483-L488 HydrophobicContact CE2-CB 3.76Å; F483-L488 HydrophobicContact CE2-CD2 4.38Å; L488-L490 HydrophobicContact CD1-CD2 4.39Å; L488-L490 HydrophobicContact CD2-CD2 4.11Å; L488-L490 HydrophobicContact CG-CD2 4.07Å; L488-L490 HydrophobicContact CG-CG 4.44Å; L488-E498 HydrophobicContact CD1-CB 4.46Å; L488-E498 HydrophobicContact CD1-CG 3.56Å; L488-E498 WeakPolarHBondContact CD1-OE1 3.39Å
489V93.2Very high89.5Confident8 Ų850.7 Ų50.75%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-121.4125.4176.9-176.20000108.7Y478 V480 V499 F504Y478-V489 HydrophobicContact CD1-CG1 3.92Å; Y478-V489 HydrophobicContact CG-CG1 4.35Å; V480-V489 HydrophobicContact CG1-CG2 4.29Å; V480-V489 HydrophobicContact CG2-CG1 4.3Å; V480-V489 HydrophobicContact CG2-CG2 4.25Å; V489-V499 PolarHBondContact O-N 2.95Å; V489-F504 HydrophobicContact CG1-CD2 4.23Å; V489-F504 HydrophobicContact CG2-CB 3.85Å; V489-F504 HydrophobicContact CG2-CD2 3.97Å; V489-F504 HydrophobicContact CG2-CG 4.12Å
490L92.6Very high89.2Confident16 Ų1656.8 Ų56.88%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-111.7135.8176.9-52.2174.1000108.7Y478 I479 L488 V496 E497 E498 L741Y478-L490 CarbonylContact C-O 3.57Å; Y478-L490 VanDerWaalsContact CA-O 3.25Å; Y478-L490 WeakPolarHBondContact CA-O 3.36Å; I479-L490 HydrophobicContact CB-CB 4.29Å; I479-L490 PolarHBondContact N-O 2.91Å; I479-L490 PolarHBondContact O-N 3.29Å; L488-L490 HydrophobicContact CD1-CD2 4.39Å; L488-L490 HydrophobicContact CD2-CD2 4.11Å; L488-L490 HydrophobicContact CG-CD2 4.07Å; L488-L490 HydrophobicContact CG-CG 4.44Å; L490-V496 HydrophobicContact CB-CG1 3.78Å; L490-V496 HydrophobicContact CD1-CG1 3.92Å; L490-V496 HydrophobicContact CG-CG1 4.34Å; L490-E497 CarbonylContact C-O 3.56Å; L490-E497 WeakPolarHBondContact CA-O 2.95Å; L490-E498 HydrophobicContact CD2-CB 4.09Å; L490-L741 HydrophobicContact CD1-CD2 3.84Å
491S91.3Very high88.7Confident31 Ų3161 Ų6122%0.21735%0.352CS..EExtended strand (participates in β ladder)trans-89.4143.8168.757.20000111.2A477 V496 E497 V499A477-S491 WeakPolarHBondContact O-CA 3.27Å; S491-V496 WeakPolarHBondContact O-CA 3.39Å; S491-E497 PolarHBondContact N-O 2.89Å; S491-E497 PolarHBondContact O-N 3.32Å; S491-E497 PolarHBondContact OG-O 3.32Å; S491-V499 WeakPolarHBondContact OG-CG2 3.24Å
492I88.3Confident88.1Confident33 Ų3361.6 Ų61.617%0.16936%0.356CS..EExtended strand (participates in β ladder)trans-98.5112.4174.4-53.5151.7000107.6D476 A477 I479 F724D476-I492 HydrophobicContact CB-CD1 3.68Å; D476-I492 VanDerWaalsContact O-CD1 3.29Å; D476-I492 WeakPolarHBondContact O-CD1 3.16Å; A477-I492 PolarHBondContact O-N 2.84Å; I479-I492 HydrophobicContact CD1-CD1 4.29Å; I479-I492 HydrophobicContact CD1-CG1 4.01Å; I479-I492 HydrophobicContact CG1-CD1 3.81Å; I479-I492 HydrophobicContact CG1-CG1 3.88Å; I492-F724 HydrophobicContact CD1-CD2 4.22Å; I492-F724 HydrophobicContact CD1-CE2 3.5Å; I492-F724 VanDerWaalsContact CD1-CE2 3.5Å; I492-F724 HydrophobicContact CD1-CZ 4.43Å; I492-F724 HydrophobicContact CG1-CE2 3.98Å; I492-F724 HydrophobicContact CG2-CE2 4.4Å; I492-F724 HydrophobicContact CG2-CZ 4.29Å
493G79.8Confident87.7Confident52 Ų5262.6 Ų62.654%0.53637%0.367SS..SBendtrans-130.1-140165.600000109.3T495G493-T495 PolarHBondContact N-O 2.9Å; G493-T495 PolarHBondContact O-N 2.69Å
494D75.6Confident87.5Confident154 Ų15462.3 Ų62.382%0.82437%0.365SS*.SBendtrans-65.3-32168.4-61.7-31.3000111.6
495T80.2Confident87.5Confident86 Ų8659.3 Ų59.353%0.52835%0.346SS..SBendtrans-121.4151.2173.349.40000109.8G493 E497G493-T495 PolarHBondContact N-O 2.9Å; G493-T495 PolarHBondContact O-N 2.69Å; T495-E497 PolarHBondContact OG1-OE1 2.91Å
496V84.9Confident87.5Confident78 Ų7854.8 Ų54.847%0.47333%0.33SS..EExtended strand (participates in β ladder)trans-90115.1173.4-177.90000108.3L490 S491L490-V496 HydrophobicContact CB-CG1 3.78Å; L490-V496 HydrophobicContact CD1-CG1 3.92Å; L490-V496 HydrophobicContact CG-CG1 4.34Å; S491-V496 WeakPolarHBondContact O-CA 3.39Å
497E88.6Confident87.4Confident118 Ų11858.1 Ų58.155%0.55135%0.347SS*.EExtended strand (participates in β ladder)trans-123.4147.1-175.8-64.9-171.7178.400111.9L490 S491 T495L490-E497 CarbonylContact C-O 3.56Å; L490-E497 WeakPolarHBondContact CA-O 2.95Å; S491-E497 PolarHBondContact N-O 2.89Å; S491-E497 PolarHBondContact O-N 3.32Å; S491-E497 PolarHBondContact OG-O 3.32Å; T495-E497 PolarHBondContact OG1-OE1 2.91Å
498E89.9Confident87.3Confident136 Ų13659 Ų5964%0.63635%0.352SS*.EExtended strand (participates in β ladder)trans-74.1127.6174.3179.5177.4172.100111L488 L490L488-E498 HydrophobicContact CD1-CB 4.46Å; L488-E498 HydrophobicContact CD1-CG 3.56Å; L488-E498 WeakPolarHBondContact CD1-OE1 3.39Å; L490-E498 HydrophobicContact CD2-CB 4.09Å
499V89Confident87.3Confident26 Ų2659.1 Ų59.116%0.15835%0.354CS..  trans-121.3126.6-176.4177.20000111.6V489 S491 D501V489-V499 PolarHBondContact O-N 2.95Å; S491-V499 WeakPolarHBondContact OG-CG2 3.24Å; V499-D501 WeakPolarHBondContact CG1-OD1 3.33Å
500T86.1Confident87.3Confident129 Ų12958.9 Ų58.979%0.79135%0.353SS*.SBendtrans-101.2-17.1178.953.20000113.8S502T500-S502 VanDerWaalsContact C-N 3.35Å
501D83.4Confident87.2Confident88 Ų8860.8 Ų60.847%0.47136%0.363SS..THydrogen-bonded Turntrans-92.911.8-177.484.7-45.1000114.2V499 G503 R536V499-D501 WeakPolarHBondContact CG1-OD1 3.33Å; D501-G503 PolarHBondContact O-N 3.34Å; D501-R536 IonicContact OD2-CZ 3.48Å; D501-R536 IonicContact OD2-NH1 2.96Å; D501-R536 PolarHBondContact OD2-NH1 2.95Å; D501-R536 IonicContact OD2-NH2 3.1Å; D501-R536 PolarHBondContact OD2-NH2 3.31Å; D501-R536 VanDerWaalsContact OD2-NH2 3.1Å
502S83.3Confident87.1Confident12 Ų1260 Ų608%0.08436%0.358CS..THydrogen-bonded Turntrans-67.5-18.1-17959.90000114.2T500 F504T500-S502 VanDerWaalsContact C-N 3.35Å; S502-F504 VanDerWaalsContact C-N 3.34Å
503G85.2Confident87.3Confident22 Ų2258.7 Ų58.723%0.22735%0.351CS..SBendtrans90.1-9.8-177.600000114.6D501 R530 I532D501-G503 PolarHBondContact O-N 3.34Å; G503-R530 PolarHBondContact O-NE 3.26Å; G503-R530 VanDerWaalsContact O-NE 3.07Å; G503-R530 PolarHBondContact O-NH2 3.38Å; G503-I532 VanDerWaalsContact C-CD1 3.41Å; G503-I532 WeakPolarHBondContact O-CD1 3.46Å
504F89Confident87.7Confident16 Ų1657.8 Ų57.87%0.0734%0.335CS..  trans-67.8149.7173.7-72.1-75000111.9V480 V489 S502 G506 C513 L521 Q523 I532V480-F504 HydrophobicContact CG2-CD2 4.46Å; V480-F504 HydrophobicContact CG2-CE2 4.14Å; V480-F504 HydrophobicContact CG2-CZ 4.25Å; V489-F504 HydrophobicContact CG1-CD2 4.23Å; V489-F504 HydrophobicContact CG2-CB 3.85Å; V489-F504 HydrophobicContact CG2-CD2 3.97Å; V489-F504 HydrophobicContact CG2-CG 4.12Å; S502-F504 VanDerWaalsContact C-N 3.34Å; F504-G506 PolarHBondContact O-N 3.02Å; F504-C513 HydrophobicContact CE1-CB 4.18Å; F504-C513 WeakPolarHBondContact CE1-SG 3.02Å; F504-L521 HydrophobicContact CE2-CD1 4.08Å; F504-L521 HydrophobicContact CZ-CB 4.14Å; F504-L521 HydrophobicContact CZ-CD1 4.11Å; F504-Q523 HydrophobicContact CD1-CB 3.73Å; F504-Q523 HydrophobicContact CD1-CG 3.93Å; F504-Q523 HydrophobicContact CE1-CB 3.91Å; F504-Q523 HydrophobicContact CE1-CG 4.43Å; F504-I532 HydrophobicContact CD1-CD1 3.99Å; F504-I532 HydrophobicContact CE1-CD1 4.17Å; F504-I532 HydrophobicContact CG-CD1 4.17Å
505L89.2Confident88.4Confident39 Ų3951.5 Ų51.520%0.20430%0.302CS..  trans-81.5107.4171.6-169.462.2000109.7T507 T508 Q523 F525L505-T507 WeakPolarHBondContact CD1-OG1 2.91Å; L505-T508 HydrophobicContact CD2-CG2 4.11Å; L505-T508 WeakPolarHBondContact CD2-OG1 3.1Å; L505-Q523 PolarHBondContact O-NE2 2.54Å; L505-F525 HydrophobicContact CD2-CD2 4.2Å; L505-F525 HydrophobicContact CD2-CE2 4.05Å; L505-F525 HydrophobicContact CD2-CZ 4.26Å
506G88.2Confident88.7Confident35 Ų3548.2 Ų48.236%0.36128%0.281SS..  trans-82.6-13178.500000115.3A486 T487 F504A486-G506 CarbonylContact C-O 3.44Å; A486-G506 VanDerWaalsContact CA-O 3.28Å; A486-G506 WeakPolarHBondContact CA-O 3.21Å; A486-G506 WeakPolarHBondContact CB-O 3.33Å; T487-G506 PolarHBondContact N-O 3.18Å; T487-G506 VanDerWaalsContact O-CA 3.23Å; T487-G506 WeakPolarHBondContact O-CA 3.32Å; F504-G506 PolarHBondContact O-N 3.02Å
507T90.5Very high88.5Confident109 Ų10946.4 Ų46.467%0.66928%0.278SS*.SBendtrans-87.4-3-170.955.60000115N485 L505N485-T507 CarbonylContact O-C 3.54Å; L505-T507 WeakPolarHBondContact CD1-OG1 2.91Å
508T91.9Very high88.3Confident30 Ų3042.9 Ų42.918%0.18427%0.269CS..SBendtrans-134.2159.1-179.258.60000109.6A486 T487 L505A486-T508 CarbonylContact C-O 3.59Å; T487-T508 PolarHBondContact N-O 2.83Å; T487-T508 PolarHBondContact OG1-O 2.78Å; L505-T508 HydrophobicContact CD2-CG2 4.11Å; L505-T508 WeakPolarHBondContact CD2-OG1 3.1Å
509S92.7Very high88.2Confident23 Ų2340 Ų4016%0.16126%0.257CS..  trans-63141.3168.9600000110.7F483 V484 F525 P526F483-S509 WeakPolarHBondContact O-CB 3.22Å; V484-S509 WeakPolarHBondContact O-CB 3.42Å; S509-F525 WeakPolarHBondContact O-CB 3.25Å; S509-P526 VanDerWaalsContact O-CD 3.26Å; S509-P526 WeakPolarHBondContact O-CD 3.49Å
510T93.4Very high88.2Confident4 Ų439.6 Ų39.63%0.02526%0.256CS..  trans-100.1136.3173.6-64.20000109.5W465 S482 T487 C513 Q523W465-T510 HydrophobicContact CH2-CG2 4.37Å; W465-T510 VanDerWaalsContact CH2-O 3.25Å; W465-T510 WeakPolarHBondContact CH2-O 3.31Å; W465-T510 HydrophobicContact CZ3-CG2 3.98Å; S482-T510 PolarHBondContact OG-N 3.34Å; S482-T510 VanDerWaalsContact OG-N 3.08Å; S482-T510 PolarHBondContact OG-O 3.27Å; S482-T510 VanDerWaalsContact OG-O 3.11Å; T487-T510 WeakPolarHBondContact CG2-OG1 3.39Å; T487-T510 WeakPolarHBondContact OG1-CB 3.48Å; T487-T510 PolarHBondContact OG1-N 3.4Å; T487-T510 PolarHBondContact OG1-OG1 2.65Å; T510-C513 WeakPolarHBondContact CG2-SG 3.27Å; T510-Q523 HydrophobicContact CG2-CG 3.8Å; T510-Q523 PolarHBondContact OG1-NE2 3.25Å
511L90.5Very high88.4Confident56 Ų5634.2 Ų34.229%0.29322%0.222SC..SBendtrans-92.4-32.6176.1-65.5173.3000112.1W465 V524 P526 I549W465-L511 WeakPolarHBondContact CZ2-O 3.42Å; L511-V524 HydrophobicContact CB-CG1 4.37Å; L511-V524 HydrophobicContact CD1-CG1 4.4Å; L511-V524 PolarHBondContact N-O 3.47Å; L511-P526 HydrophobicContact CD1-CG 4.37Å; L511-P526 HydrophobicContact CG-CG 4.42Å; L511-I549 HydrophobicContact CD1-CB 4.08Å; L511-I549 HydrophobicContact CD1-CG2 3.93Å; L511-I549 WeakPolarHBondContact CD1-O 3.34Å
512C90.2Very high88.8Confident14 Ų1430.4 Ų30.410%0.09520%0.202CC..EExtended strand (participates in β ladder)trans-161.7143176.9-177.50000110.9Q523 V524 C552 V554C512-Q523 WeakPolarHBondContact O-CA 2.98Å; C512-V524 HydrophobicContact CB-CB 4.35Å; C512-V524 HydrophobicContact CB-CG2 4.47Å; C512-V524 PolarHBondContact N-O 3.01Å; C512-V524 PolarHBondContact O-N 3.21Å; C512-C552 WeakPolarHBondContact CB-SG 3.2Å; C512-V554 WeakPolarHBondContact SG-CG2 3.29Å
513C90.8Very high89.2Confident6 Ų629.9 Ų29.94%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-125.1138.4166.6-77.10000110W465 V467 F504 T510 V522W465-C513 HydrophobicContact CB-CB 4.27Å; W465-C513 HydrophobicContact CG-CB 4.43Å; V467-C513 HydrophobicContact CG2-CB 4.09Å; F504-C513 HydrophobicContact CE1-CB 4.18Å; F504-C513 WeakPolarHBondContact CE1-SG 3.02Å; T510-C513 WeakPolarHBondContact CG2-SG 3.27Å; C513-V522 VanDerWaalsContact CA-O 3.3Å; C513-V522 WeakPolarHBondContact CA-O 3.3Å
514T89.2Confident89.6Confident33 Ų3329.1 Ų29.120%0.20219%0.189CC..EExtended strand (participates in β ladder)trans-154162.8175-166.40000112.4L521 V522 V554T514-L521 WeakPolarHBondContact O-CA 3.39Å; T514-V522 HydrophobicContact CG2-CB 4.36Å; T514-V522 PolarHBondContact N-O 3.21Å; T514-V522 PolarHBondContact O-N 2.85Å; T514-V554 HydrophobicContact CG2-CB 3.82Å; T514-V554 HydrophobicContact CG2-CG1 4.2Å; T514-V554 HydrophobicContact CG2-CG2 3.59Å
515L89.8Confident89.7Confident21 Ų2128.4 Ų28.411%0.1119%0.186CC..EExtended strand (participates in β ladder)trans-86.6119.3166.3-175.372.9000109.2V467 K468 V471 L521V467-L515 HydrophobicContact CG1-CB 3.95Å; K468-L515 HydrophobicContact CB-CD2 4.38Å; V471-L515 HydrophobicContact CB-CD2 4.07Å; L515-L521 HydrophobicContact CD1-CD2 3.96Å
516L86.1Confident89.8Confident18 Ų1827.9 Ų27.99%0.09419%0.186CC..EExtended strand (participates in β ladder)trans-104.6128.7173.1179.480.9000110S520 V522 S559L516-S520 CarbonylContact C-O 3.51Å; L516-S520 WeakPolarHBondContact CA-O 3.38Å; L516-S520 PolarHBondContact N-O 2.88Å; L516-S520 VanDerWaalsContact O-CB 3.28Å; L516-S520 WeakPolarHBondContact O-CB 3.39Å; L516-S520 PolarHBondContact O-N 3.5Å; L516-S520 PolarHBondContact O-OG 3.36Å; L516-V522 HydrophobicContact CB-CG2 3.71Å; L516-V522 HydrophobicContact CD2-CG2 3.85Å; L516-V522 HydrophobicContact CG-CG2 4.35Å; L516-S559 VanDerWaalsContact CD1-CB 3.48Å; L516-S559 WeakPolarHBondContact CD1-OG 3.32Å; L516-S559 WeakPolarHBondContact CD2-OG 3.38Å; L516-S559 WeakPolarHBondContact CG-OG 3.31Å
517G82.6Confident89.9Confident39 Ų3932.5 Ų32.540%0.40220%0.197SC..THydrogen-bonded Turntrans70.8-138.3-179.500000111.5R556G517-R556 PolarHBondContact N-O 2.93Å
518A83Confident89.9Confident44 Ų4427.3 Ų27.336%0.36417%0.166SC..THydrogen-bonded Turntrans-89.3-45.5-176.600000112.7H470 V471H470-A518 CarbonylContact C-O 3.56Å; H470-A518 WeakPolarHBondContact CA-O 3.38Å; H470-A518 PolarHBondContact CD2-O 3.18Å; V471-A518 HydrophobicContact CG1-CB 4.43Å; V471-A518 PolarHBondContact N-O 3.22Å
519D88.1Confident89.8Confident75 Ų7527.8 Ų27.840%0.40117%0.167SC..THydrogen-bonded Turntrans-141.26.7-168.466.8-21.5000114.1G534D519-G534 WeakPolarHBondContact O-CA 3.1Å; D519-G534 PolarHBondContact O-N 3.12Å; D519-G534 WeakPolarHBondContact OD2-CA 3.4Å
520S89.3Confident89.7Confident19 Ų1929 Ų2913%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-96.2127.1-177110000111.4L516 H531 I532L516-S520 CarbonylContact C-O 3.51Å; L516-S520 WeakPolarHBondContact CA-O 3.38Å; L516-S520 PolarHBondContact N-O 2.88Å; L516-S520 VanDerWaalsContact O-CB 3.28Å; L516-S520 WeakPolarHBondContact O-CB 3.39Å; L516-S520 PolarHBondContact O-N 3.5Å; L516-S520 PolarHBondContact O-OG 3.36Å; S520-H531 WeakPolarHBondContact CB-NE2 3.23Å; S520-I532 CarbonylContact C-O 3.41Å; S520-I532 WeakPolarHBondContact CA-O 3.31Å
521L90.9Very high89.6Confident15 Ų1531 Ų318%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-95.4142.3176.4-55.9164.1000109.8V467 F504 T514 L515 I532V467-L521 HydrophobicContact CB-CD2 4.3Å; V467-L521 HydrophobicContact CG1-CD2 3.37Å; F504-L521 HydrophobicContact CE2-CD1 4.08Å; F504-L521 HydrophobicContact CZ-CB 4.14Å; F504-L521 HydrophobicContact CZ-CD1 4.11Å; T514-L521 WeakPolarHBondContact O-CA 3.39Å; L515-L521 HydrophobicContact CD1-CD2 3.96Å; L521-I532 HydrophobicContact CB-CB 4.2Å; L521-I532 HydrophobicContact CB-CD1 4.44Å; L521-I532 PolarHBondContact N-O 2.84Å; L521-I532 PolarHBondContact O-N 3.12Å
522V91.2Very high89.6Confident9 Ų928.6 Ų28.66%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-122.6128.1173.91770000109.2C513 T514 L516 V524 I529 R530C513-V522 VanDerWaalsContact CA-O 3.3Å; C513-V522 WeakPolarHBondContact CA-O 3.3Å; T514-V522 HydrophobicContact CG2-CB 4.36Å; T514-V522 PolarHBondContact N-O 3.21Å; T514-V522 PolarHBondContact O-N 2.85Å; L516-V522 HydrophobicContact CB-CG2 3.71Å; L516-V522 HydrophobicContact CD2-CG2 3.85Å; L516-V522 HydrophobicContact CG-CG2 4.35Å; V522-V524 HydrophobicContact CG1-CG2 4.31Å; V522-I529 HydrophobicContact CG1-CG2 3.73Å; V522-R530 WeakPolarHBondContact CA-O 3.24Å
523Q92.2Very high89.4Confident0 Ų030.1 Ų30.10%017%0.17CC..EExtended strand (participates in β ladder)trans-113.7124.1171.9-176.3-171.515.300109.2F504 L505 T510 C512 R530F504-Q523 HydrophobicContact CD1-CB 3.73Å; F504-Q523 HydrophobicContact CD1-CG 3.93Å; F504-Q523 HydrophobicContact CE1-CB 3.91Å; F504-Q523 HydrophobicContact CE1-CG 4.43Å; L505-Q523 PolarHBondContact O-NE2 2.54Å; T510-Q523 HydrophobicContact CG2-CG 3.8Å; T510-Q523 PolarHBondContact OG1-NE2 3.25Å; C512-Q523 WeakPolarHBondContact O-CA 2.98Å; Q523-R530 HydrophobicContact CB-CB 4.27Å; Q523-R530 PolarHBondContact N-O 2.91Å; Q523-R530 PolarHBondContact O-N 2.9Å
524V92Very high88.9Confident6 Ų632 Ų324%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-102.9129.9172.8-175.10000108.5L511 C512 V522 I529 I549 C552L511-V524 HydrophobicContact CB-CG1 4.37Å; L511-V524 HydrophobicContact CD1-CG1 4.4Å; L511-V524 PolarHBondContact N-O 3.47Å; C512-V524 HydrophobicContact CB-CB 4.35Å; C512-V524 HydrophobicContact CB-CG2 4.47Å; C512-V524 PolarHBondContact N-O 3.01Å; C512-V524 PolarHBondContact O-N 3.21Å; V522-V524 HydrophobicContact CG1-CG2 4.31Å; V524-I529 HydrophobicContact CG1-CG1 4.28Å; V524-I529 HydrophobicContact CG2-CG1 4.35Å; V524-I529 HydrophobicContact CG2-CG2 4.35Å; V524-I549 HydrophobicContact CG1-CD1 3.9Å; V524-I549 HydrophobicContact CG1-CG2 4.18Å; V524-C552 HydrophobicContact CB-CB 4.49Å; V524-C552 HydrophobicContact CG1-CB 3.96Å; V524-C552 HydrophobicContact CG2-CB 4.49Å
525F92.6Very high88.7Confident1 Ų134.5 Ų34.50%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-135.1163177.459.5-79000109.2L505 S509 E527 G528 R530 E540L505-F525 HydrophobicContact CD2-CD2 4.2Å; L505-F525 HydrophobicContact CD2-CE2 4.05Å; L505-F525 HydrophobicContact CD2-CZ 4.26Å; S509-F525 WeakPolarHBondContact O-CB 3.25Å; F525-E527 HydrophobicContact CD2-CB 3.97Å; F525-E527 HydrophobicContact CE2-CB 3.79Å; F525-E527 PolarHBondContact O-N 2.99Å; F525-G528 CarbonylContact C-O 3.44Å; F525-G528 WeakPolarHBondContact CD1-O 3.38Å; F525-G528 VanDerWaalsContact CE1-C 3.42Å; F525-G528 WeakPolarHBondContact CE1-O 3.41Å; F525-G528 PolarHBondContact N-O 2.91Å; F525-G528 PolarHBondContact O-N 2.88Å; F525-R530 HydrophobicContact CD1-CB 4.48Å; F525-R530 HydrophobicContact CE1-CB 3.85Å; F525-E540 HydrophobicContact CZ-CG 4.23Å
526P90.4Very high88.4Confident29 Ų2941.6 Ų41.619%0.18823%0.227CC..THydrogen-bonded Turntrans-56.4-30.8-170.4-29.636.3000115.3S509 L511 M548 I549S509-P526 VanDerWaalsContact O-CD 3.26Å; S509-P526 WeakPolarHBondContact O-CD 3.49Å; L511-P526 HydrophobicContact CD1-CG 4.37Å; L511-P526 HydrophobicContact CG-CG 4.42Å; P526-M548 WeakPolarHBondContact O-CA 3.42Å; P526-I549 PolarHBondContact O-N 2.88Å
527E90.5Very high88.4Confident131 Ų13147.8 Ų47.861%0.61225%0.249SC*.THydrogen-bonded Turntrans-92.3-9.4-177.6-59.2-175.7169.800113.9F525 V543F525-E527 HydrophobicContact CD2-CB 3.97Å; F525-E527 HydrophobicContact CE2-CB 3.79Å; F525-E527 PolarHBondContact O-N 2.99Å; E527-V543 VanDerWaalsContact C-CG2 3.46Å; E527-V543 VanDerWaalsContact O-CG2 3.31Å; E527-V543 WeakPolarHBondContact O-CG2 3.46Å; E527-V543 PolarHBondContact O-N 2.8Å
528G90Very high88.7Confident0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans176.1-176.5-173.600000116.7F525 W541F525-G528 CarbonylContact C-O 3.44Å; F525-G528 WeakPolarHBondContact CD1-O 3.38Å; F525-G528 VanDerWaalsContact CE1-C 3.42Å; F525-G528 WeakPolarHBondContact CE1-O 3.41Å; F525-G528 PolarHBondContact N-O 2.91Å; F525-G528 PolarHBondContact O-N 2.88Å; G528-W541 CarbonylContact C-O 3.53Å; G528-W541 WeakPolarHBondContact CA-O 3.39Å
529I90.8Very high89Confident41 Ų4150.6 Ų50.621%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-122.4127.2174.5-56.9170.7000107.4V522 V524 E540 W541 I549V522-I529 HydrophobicContact CG1-CG2 3.73Å; V524-I529 HydrophobicContact CG1-CG1 4.28Å; V524-I529 HydrophobicContact CG2-CG1 4.35Å; V524-I529 HydrophobicContact CG2-CG2 4.35Å; I529-E540 CarbonylContact O-C 3.48Å; I529-E540 WeakPolarHBondContact O-CA 3.47Å; I529-W541 HydrophobicContact CB-CB 4.3Å; I529-W541 HydrophobicContact CB-CE3 4.42Å; I529-W541 HydrophobicContact CD1-CE3 4.01Å; I529-W541 HydrophobicContact CD1-CZ3 4.39Å; I529-W541 HydrophobicContact CG1-CE3 3.99Å; I529-W541 PolarHBondContact N-O 2.99Å; I529-W541 PolarHBondContact O-N 3.33Å; I529-I549 HydrophobicContact CD1-CD1 4.43Å; I529-I549 HydrophobicContact CG1-CD1 3.89Å
530R91.1Very high89Confident49 Ų4951.8 Ų51.819%0.18525%0.254CS..EExtended strand (participates in β ladder)trans-109.7117.7177.7-173175.2-169.21636.5108.9G503 V522 Q523 F525 I532 V538G503-R530 PolarHBondContact O-NE 3.26Å; G503-R530 VanDerWaalsContact O-NE 3.07Å; G503-R530 PolarHBondContact O-NH2 3.38Å; V522-R530 WeakPolarHBondContact CA-O 3.24Å; Q523-R530 HydrophobicContact CB-CB 4.27Å; Q523-R530 PolarHBondContact N-O 2.91Å; Q523-R530 PolarHBondContact O-N 2.9Å; F525-R530 HydrophobicContact CD1-CB 4.48Å; F525-R530 HydrophobicContact CE1-CB 3.85Å; R530-I532 HydrophobicContact CG-CG1 4.26Å; R530-V538 HydrophobicContact CG-CG1 3.51Å
531H89.9Confident88.9Confident44 Ų4456 Ų5620%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-104.6117.8176.1174.8-138.8000109.1S520 V538 N539S520-H531 WeakPolarHBondContact CB-NE2 3.23Å; H531-V538 CarbonylContact O-C 3.58Å; H531-V538 WeakPolarHBondContact O-CA 3.48Å; H531-N539 HydrophobicContact CB-CB 4.33Å; H531-N539 PolarHBondContact N-O 2.75Å; H531-N539 PolarHBondContact O-N 2.87Å
532I90.4Very high88.7Confident6 Ų662.3 Ų62.33%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-108.2109.9-177.1-52.6162.1000106.8G503 F504 S520 L521 R530 R537 V538G503-I532 VanDerWaalsContact C-CD1 3.41Å; G503-I532 WeakPolarHBondContact O-CD1 3.46Å; F504-I532 HydrophobicContact CD1-CD1 3.99Å; F504-I532 HydrophobicContact CE1-CD1 4.17Å; F504-I532 HydrophobicContact CG-CD1 4.17Å; S520-I532 CarbonylContact C-O 3.41Å; S520-I532 WeakPolarHBondContact CA-O 3.31Å; L521-I532 HydrophobicContact CB-CB 4.2Å; L521-I532 HydrophobicContact CB-CD1 4.44Å; L521-I532 PolarHBondContact N-O 2.84Å; L521-I532 PolarHBondContact O-N 3.12Å; R530-I532 HydrophobicContact CG-CG1 4.26Å; I532-R537 WeakPolarHBondContact CA-O 3.47Å; I532-V538 HydrophobicContact CG1-CG2 4.42Å
533Q85.7Confident88.5Confident47 Ų4763.1 Ų63.122%0.2230%0.299CS..  trans-76.1159.4176.5-65.3-177.2-4.600110.7D535 R536 R537Q533-D535 WeakPolarHBondContact CB-OD1 3.46Å; Q533-D535 PolarHBondContact O-N 3.02Å; Q533-D535 VanDerWaalsContact O-N 3.09Å; Q533-R536 WeakPolarHBondContact O-CA 3.42Å; Q533-R536 PolarHBondContact O-N 3.2Å; Q533-R537 HydrophobicContact CB-CB 4.36Å; Q533-R537 PolarHBondContact N-O 3.42Å; Q533-R537 VanDerWaalsContact OE1-NH2 3.09Å
534G82.1Confident88.1Confident44 Ų4465.6 Ų65.645%0.45432%0.315SS..THydrogen-bonded Turntrans-58.2-24.5179.500000114.3D519 R536D519-G534 WeakPolarHBondContact O-CA 3.1Å; D519-G534 PolarHBondContact O-N 3.12Å; D519-G534 WeakPolarHBondContact OD2-CA 3.4Å; G534-R536 PolarHBondContact O-N 2.96Å
535D84Confident87.5Confident86 Ų8670 Ų7046%0.4635%0.352SS..THydrogen-bonded Turntrans-83.813.9173.168.16.2000114.5Q533 R537Q533-D535 WeakPolarHBondContact CB-OD1 3.46Å; Q533-D535 PolarHBondContact O-N 3.02Å; Q533-D535 VanDerWaalsContact O-N 3.09Å; D535-R537 VanDerWaalsContact CG-NE 3.3Å; D535-R537 PolarHBondContact O-N 3.14Å; D535-R537 VanDerWaalsContact OD1-CB 3.25Å; D535-R537 WeakPolarHBondContact OD1-CB 3.33Å; D535-R537 WeakPolarHBondContact OD1-CG 3.38Å; D535-R537 PolarHBondContact OD1-N 2.97Å; D535-R537 IonicContact OD1-NE 3.2Å; D535-R537 PolarHBondContact OD1-NE 2.97Å; D535-R537 IonicContact OD2-CZ 3.04Å; D535-R537 IonicContact OD2-NE 2.68Å; D535-R537 PolarHBondContact OD2-NE 2.92Å; D535-R537 IonicContact OD2-NH2 2.68Å; D535-R537 PolarHBondContact OD2-NH2 2.88Å
536R82.7Confident87Confident171 Ų17182.2 Ų82.265%0.64540%0.398SS*.SBendtrans66.611-178.2-52.4-178.1174.7-150.6-6.5114.7D501 Q533 G534D501-R536 IonicContact OD2-CZ 3.48Å; D501-R536 IonicContact OD2-NH1 2.96Å; D501-R536 PolarHBondContact OD2-NH1 2.95Å; D501-R536 IonicContact OD2-NH2 3.1Å; D501-R536 PolarHBondContact OD2-NH2 3.31Å; D501-R536 VanDerWaalsContact OD2-NH2 3.1Å; Q533-R536 WeakPolarHBondContact O-CA 3.42Å; Q533-R536 PolarHBondContact O-N 3.2Å; G534-R536 PolarHBondContact O-N 2.96Å
537R87.5Confident86.8Confident147 Ų14788.2 Ų88.256%0.55542%0.417SS*.  trans-69.3134.9170-73.4-175.6-70.6174.1-8110.6I532 Q533 D535I532-R537 WeakPolarHBondContact CA-O 3.47Å; Q533-R537 HydrophobicContact CB-CB 4.36Å; Q533-R537 PolarHBondContact N-O 3.42Å; Q533-R537 VanDerWaalsContact OE1-NH2 3.09Å; D535-R537 VanDerWaalsContact CG-NE 3.3Å; D535-R537 PolarHBondContact O-N 3.14Å; D535-R537 VanDerWaalsContact OD1-CB 3.25Å; D535-R537 WeakPolarHBondContact OD1-CB 3.33Å; D535-R537 WeakPolarHBondContact OD1-CG 3.38Å; D535-R537 PolarHBondContact OD1-N 2.97Å; D535-R537 IonicContact OD1-NE 3.2Å; D535-R537 PolarHBondContact OD1-NE 2.97Å; D535-R537 IonicContact OD2-CZ 3.04Å; D535-R537 IonicContact OD2-NE 2.68Å; D535-R537 PolarHBondContact OD2-NE 2.92Å; D535-R537 IonicContact OD2-NH2 2.68Å; D535-R537 PolarHBondContact OD2-NH2 2.88Å
538V88.7Confident86.7Confident53 Ų5389 Ų8932%0.32142%0.422SS..EExtended strand (participates in β ladder)trans-113.3118.9-178.1178.90000109.5R530 H531 I532R530-V538 HydrophobicContact CG-CG1 3.51Å; H531-V538 CarbonylContact O-C 3.58Å; H531-V538 WeakPolarHBondContact O-CA 3.48Å; I532-V538 HydrophobicContact CG1-CG2 4.42Å
539N89.1Confident86.6Confident89 Ų8990.6 Ų90.648%0.47643%0.43SS..EExtended strand (participates in β ladder)trans-105.4119.5169.6-67.6-21.3000109.1H531H531-N539 HydrophobicContact CB-CB 4.33Å; H531-N539 PolarHBondContact N-O 2.75Å; H531-N539 PolarHBondContact O-N 2.87Å
540E88.1Confident86.4Confident101 Ų10192.7 Ų92.747%0.47245%0.448SS..EExtended strand (participates in β ladder)trans-108.4126.1-179.4-165.5-172.9146.100110.5F525 I529 K542F525-E540 HydrophobicContact CZ-CG 4.23Å; I529-E540 CarbonylContact O-C 3.48Å; I529-E540 WeakPolarHBondContact O-CA 3.47Å; E540-K542 WeakPolarHBondContact OE1-CE 3.36Å
541W87.6Confident86.2Confident107 Ų10793.1 Ų93.141%0.40545%0.454SS..EExtended strand (participates in β ladder)trans-103.3120.7171.6-18088.6000109.1G528 I529 V543 I549G528-W541 CarbonylContact C-O 3.53Å; G528-W541 WeakPolarHBondContact CA-O 3.39Å; I529-W541 HydrophobicContact CB-CB 4.3Å; I529-W541 HydrophobicContact CB-CE3 4.42Å; I529-W541 HydrophobicContact CD1-CE3 4.01Å; I529-W541 HydrophobicContact CD1-CZ3 4.39Å; I529-W541 HydrophobicContact CG1-CE3 3.99Å; I529-W541 PolarHBondContact N-O 2.99Å; I529-W541 PolarHBondContact O-N 3.33Å; W541-V543 HydrophobicContact CE3-CG2 4.45Å; W541-V543 HydrophobicContact CH2-CG2 4.3Å; W541-V543 HydrophobicContact CZ3-CB 4.34Å; W541-V543 HydrophobicContact CZ3-CG2 3.67Å; W541-I549 HydrophobicContact CZ3-CD1 4.15Å
542K87.2Confident86.1Confident148 Ų14892.8 Ų92.864%0.64346%0.457SS*.EExtended strand (participates in β ladder)trans-95.5139.7179.3-65.7-174.2177.3-173.20111.2E540E540-K542 WeakPolarHBondContact OE1-CE 3.36Å
543V85.3Confident85.9Confident26 Ų2694.7 Ų94.716%0.15847%0.469CS..PPolyproline II helixtrans-66.3143.5177.1-178.40000110.3E527 W541 R547 I549E527-V543 VanDerWaalsContact C-CG2 3.46Å; E527-V543 VanDerWaalsContact O-CG2 3.31Å; E527-V543 WeakPolarHBondContact O-CG2 3.46Å; E527-V543 PolarHBondContact O-N 2.8Å; W541-V543 HydrophobicContact CE3-CG2 4.45Å; W541-V543 HydrophobicContact CH2-CG2 4.3Å; W541-V543 HydrophobicContact CZ3-CB 4.34Å; W541-V543 HydrophobicContact CZ3-CG2 3.67Å; V543-R547 HydrophobicContact CG1-CB 3.74Å; V543-R547 VanDerWaalsContact CG1-O 3.22Å; V543-R547 WeakPolarHBondContact CG1-O 3.35Å; V543-I549 HydrophobicContact CG2-CD1 3.94Å; V543-I549 HydrophobicContact CG2-CG1 3.54Å
544P84.5Confident85.8Confident52 Ų5294.6 Ų94.634%0.33847%0.471SS..PPolyproline II helixtrans-53.5141.1171.3-26.835.1000112.6R546 R547P544-R546 PolarHBondContact O-N 3.05Å; P544-R547 PolarHBondContact O-N 2.91Å; P544-R547 VanDerWaalsContact O-N 3.14Å
545A80.3Confident85.8Confident97 Ų9793.1 Ų93.180%0.80245%0.453SS*.THydrogen-bonded Turntrans-51137.6-173.800000113.1R547A545-R547 VanDerWaalsContact C-N 3.29Å; A545-R547 PolarHBondContact O-N 3.34Å
546R81.5Confident85.5Confident258 Ų25894.5 Ų94.597%0.97445%0.452SS*.THydrogen-bonded Turntrans69.312-177.4-51179.5177.8-180-1.2116P544P544-R546 PolarHBondContact O-N 3.05Å
547R85.2Confident85Confident156 Ų15692 Ų9259%0.58945%0.445SS*.  trans-115155.5167.8-63.1-172.6178.8-165.3-1.3109.5V543 P544 A545V543-R547 HydrophobicContact CG1-CB 3.74Å; V543-R547 VanDerWaalsContact CG1-O 3.22Å; V543-R547 WeakPolarHBondContact CG1-O 3.35Å; P544-R547 PolarHBondContact O-N 2.91Å; P544-R547 VanDerWaalsContact O-N 3.14Å; A545-R547 VanDerWaalsContact C-N 3.29Å; A545-R547 PolarHBondContact O-N 3.34Å
548M88.1Confident84Confident147 Ų14785.7 Ų85.772%0.72442%0.423SS*.  trans-130.9150.8170.8-66.6-175.2-6900108P526 S550P526-M548 WeakPolarHBondContact O-CA 3.42Å; M548-S550 PolarHBondContact O-N 2.74Å
549I88.7Confident82.4Confident33 Ų3385.2 Ų85.217%0.16942%0.421CS..  trans-72.5116169.9-54.6179.4000106.8L511 V524 P526 I529 W541 V543 N551L511-I549 HydrophobicContact CD1-CB 4.08Å; L511-I549 HydrophobicContact CD1-CG2 3.93Å; L511-I549 WeakPolarHBondContact CD1-O 3.34Å; V524-I549 HydrophobicContact CG1-CD1 3.9Å; V524-I549 HydrophobicContact CG1-CG2 4.18Å; P526-I549 PolarHBondContact O-N 2.88Å; I529-I549 HydrophobicContact CD1-CD1 4.43Å; I529-I549 HydrophobicContact CG1-CD1 3.89Å; W541-I549 HydrophobicContact CZ3-CD1 4.15Å; V543-I549 HydrophobicContact CG2-CD1 3.94Å; V543-I549 HydrophobicContact CG2-CG1 3.54Å; I549-N551 WeakPolarHBondContact CG2-O 3.41Å
550S86.4Confident80.5Confident85 Ų8583.4 Ų83.459%0.59442%0.424SS*.  trans-85.6-42.9174.953.20000111.7M548M548-S550 PolarHBondContact O-N 2.74Å
551N86.9Confident78.7Confident58 Ų5887.7 Ų87.731%0.3144%0.444SS..  trans-138.8150.2-174.3-73.5-57.2000110.6I549 V575 V576 M578I549-N551 WeakPolarHBondContact CG2-O 3.41Å; N551-V575 PolarHBondContact ND2-O 2.87Å; N551-V576 PolarHBondContact ND2-O 2.84Å; N551-V576 PolarHBondContact OD1-O 2.98Å; N551-M578 VanDerWaalsContact C-CE 3.42Å; N551-M578 HydrophobicContact CB-CE 3.7Å; N551-M578 VanDerWaalsContact O-CE 3.22Å; N551-M578 WeakPolarHBondContact O-CE 3.17Å
552C88.8Confident77.1Confident38 Ų3884 Ų8426%0.25743%0.432SS..  trans-143.9151174.257.30000110.5C512 V524C512-C552 WeakPolarHBondContact CB-SG 3.2Å; V524-C552 HydrophobicContact CB-CB 4.49Å; V524-C552 HydrophobicContact CG1-CB 3.96Å; V524-C552 HydrophobicContact CG2-CB 4.49Å
553T86.3Confident75.4Confident45 Ų4581.5 Ų81.528%0.27643%0.426SS..  trans-133.3147166.7-175.80000107.4M578 L580 L593T553-M578 HydrophobicContact CG2-CB 3.9Å; T553-L580 HydrophobicContact CG2-CB 4Å; T553-L580 WeakPolarHBondContact OG1-CB 3.44Å; T553-L580 PolarHBondContact OG1-N 2.85Å; T553-L580 VanDerWaalsContact OG1-N 3.13Å; T553-L593 HydrophobicContact CG2-CD1 3.73Å
554V83.5Confident74.2Confident46 Ų4682.3 Ų82.328%0.27943%0.428SS..  trans-137.2153.8-176.1-61.80000109.8C512 T514C512-V554 WeakPolarHBondContact SG-CG2 3.29Å; T514-V554 HydrophobicContact CG2-CB 3.82Å; T514-V554 HydrophobicContact CG2-CG1 4.2Å; T514-V554 HydrophobicContact CG2-CG2 3.59Å
555N81.4Confident72.9Confident12 Ų1284.5 Ų84.56%0.06443%0.432CS..  trans-137.1-177161.972.213.6000109.6K557 Q558 L580 V583N555-K557 VanDerWaalsContact C-N 3.34Å; N555-K557 PolarHBondContact O-N 3.01Å; N555-K557 PolarHBondContact OD1-N 3.11Å; N555-Q558 PolarHBondContact ND2-OE1 2.85Å; N555-Q558 WeakPolarHBondContact OD1-CA 3.46Å; N555-Q558 WeakPolarHBondContact OD1-CB 3.36Å; N555-Q558 PolarHBondContact OD1-N 2.85Å; N555-L580 HydrophobicContact CB-CD2 3.86Å; N555-L580 HydrophobicContact CB-CG 4.22Å; N555-L580 VanDerWaalsContact ND2-CD2 3.29Å; N555-L580 WeakPolarHBondContact ND2-CD2 3.46Å; N555-V583 WeakPolarHBondContact ND2-CG2 3.34Å
556R77.4Confident72Confident115 Ų11585.5 Ų85.543%0.43443%0.428SS..SBendtrans-67.9-25.2-171.6-62.1-171.8-166.3169.414115.2G517 E582G517-R556 PolarHBondContact N-O 2.93Å; R556-E582 IonicContact CZ-OE2 3.66Å; R556-E582 IonicContact NH2-OE1 2.76Å; R556-E582 IonicContact NH2-OE2 3.91Å; R556-E582 PolarHBondContact NH2-OE2 2.84Å; R556-E582 VanDerWaalsContact NH2-OE2 3.11Å
557K73.5Confident71.5Confident118 Ų11878.9 Ų78.951%0.51341%0.408SS..SBendtrans-124-24.2-170.8-65.7-174-176.6173.20114.6N555 S559 V583 E587 V588N555-K557 VanDerWaalsContact C-N 3.34Å; N555-K557 PolarHBondContact O-N 3.01Å; N555-K557 PolarHBondContact OD1-N 3.11Å; K557-S559 PolarHBondContact O-N 2.94Å; K557-V583 HydrophobicContact CB-CG2 4.3Å; K557-V583 HydrophobicContact CD-CG1 4.39Å; K557-E587 PolarHBondContact NZ-O 2.99Å; K557-V588 WeakPolarHBondContact CD-O 3.33Å
558Q66.4Low71.2Confident16 Ų1679.1 Ų79.18%0.07541%0.41CS..  trans-9289.2-176.5-61.2179-94.500109.8N555 L562 R589 C590N555-Q558 PolarHBondContact ND2-OE1 2.85Å; N555-Q558 WeakPolarHBondContact OD1-CA 3.46Å; N555-Q558 WeakPolarHBondContact OD1-CB 3.36Å; N555-Q558 PolarHBondContact OD1-N 2.85Å; Q558-L562 HydrophobicContact CB-CD1 3.45Å; Q558-L562 VanDerWaalsContact CB-CD1 3.45Å; Q558-L562 HydrophobicContact CG-CD1 3.71Å; Q558-R589 HydrophobicContact CG-CB 4.02Å; Q558-C590 PolarHBondContact OE1-O 2.95Å
559S53.9Low70.8Confident42 Ų4276.5 Ų76.529%0.29439%0.394SS..SBendtrans-148.5152.2162860000112.6L516 K557 Q561L516-S559 VanDerWaalsContact CD1-CB 3.48Å; L516-S559 WeakPolarHBondContact CD1-OG 3.32Å; L516-S559 WeakPolarHBondContact CD2-OG 3.38Å; L516-S559 WeakPolarHBondContact CG-OG 3.31Å; K557-S559 PolarHBondContact O-N 2.94Å; S559-Q561 VanDerWaalsContact C-N 3.3Å; S559-Q561 PolarHBondContact O-N 3.48Å
560G49.7Very low70.6Confident52 Ų5282.7 Ų82.754%0.53642%0.422SS..SBendtrans71.1-27.4157.800000120.2
561Q49.7Very low70.5Confident190 Ų19080.7 Ų80.789%0.88840%0.404SS*.SBendtrans-124.77.2-175.8-73.4-170.6-800115S559S559-Q561 VanDerWaalsContact C-N 3.3Å; S559-Q561 PolarHBondContact O-N 3.48Å
562L54.1Low70.3Confident31 Ų3181.9 Ų81.916%0.16242%0.417CS..SBendtrans-82.4151.1-177.7-66.9166.2000111.7Q558 E564 F565Q558-L562 HydrophobicContact CB-CD1 3.45Å; Q558-L562 VanDerWaalsContact CB-CD1 3.45Å; Q558-L562 HydrophobicContact CG-CD1 3.71Å; L562-E564 HydrophobicContact CB-CB 4.33Å; L562-E564 HydrophobicContact CB-CG 4.35Å; L562-E564 PolarHBondContact O-N 2.8Å; L562-F565 HydrophobicContact CB-CD2 4.49Å; L562-F565 PolarHBondContact O-N 2.65Å
563N51.5Low70.2Confident94 Ų9482.1 Ų82.150%0.50342%0.419SS..G310 helixtrans-50.6-26.7175.5-74.7-2000112.7F565 T566 E567N563-F565 PolarHBondContact O-N 3.48Å; N563-F565 VanDerWaalsContact O-N 3.13Å; N563-T566 WeakPolarHBondContact O-CA 3.25Å; N563-T566 WeakPolarHBondContact O-CB 3.46Å; N563-T566 PolarHBondContact O-N 2.96Å; N563-T566 PolarHBondContact O-OG1 3.09Å; N563-E567 PolarHBondContact O-N 2.87Å
564E59.5Low70.4Confident44 Ų4487.2 Ų87.221%0.20644%0.439CS..G310 helixtrans-54.5-25.1172.9-58.9163.7-145.300113.9L562 L607L562-E564 HydrophobicContact CB-CB 4.33Å; L562-E564 HydrophobicContact CB-CG 4.35Å; L562-E564 PolarHBondContact O-N 2.8Å; E564-L607 HydrophobicContact CG-CD2 4.29Å
565F57.2Low70.8Confident97 Ų9786.9 Ų86.943%0.42544%0.437SS..G310 helixtrans-83.6-22.9173.4-72.8-85.9000113L562 N563L562-F565 HydrophobicContact CB-CD2 4.49Å; L562-F565 PolarHBondContact O-N 2.65Å; N563-F565 PolarHBondContact O-N 3.48Å; N563-F565 VanDerWaalsContact O-N 3.13Å
566T62.9Low71.3Confident118 Ų11887.9 Ų87.972%0.72444%0.443SS*.THydrogen-bonded Turntrans-83-37.7178.762.80000111.9N563N563-T566 WeakPolarHBondContact O-CA 3.25Å; N563-T566 WeakPolarHBondContact O-CB 3.46Å; N563-T566 PolarHBondContact O-N 2.96Å; N563-T566 PolarHBondContact O-OG1 3.09Å
567E70.7Confident71.9Confident119 Ų11982.8 Ų82.856%0.55643%0.426SS*.SBendtrans-105.9120.6178.4-170171.4-175.500110.1N563 L613N563-E567 PolarHBondContact O-N 2.87Å; E567-L613 HydrophobicContact CB-CD1 4.31Å; E567-L613 HydrophobicContact CG-CD1 4.43Å; E567-L613 VanDerWaalsContact O-CD1 3.24Å; E567-L613 WeakPolarHBondContact O-CD1 3.3Å
568R77.8Confident72.8Confident162 Ų16279.7 Ų79.761%0.61141%0.414SS*.  trans-104.4114.1177.5-66.2-178.8-178.1174.40.1109.2
569K81.7Confident74Confident91 Ų9179.1 Ų79.140%0.39641%0.412SS..PPolyproline II helixtrans-86.4120.2173.3-174.3173.4-177.4-179.20110.3M571 L613K569-M571 HydrophobicContact CD-SD 4.35Å; K569-M571 HydrophobicContact CG-SD 4.41Å; K569-L613 HydrophobicContact CB-CB 4.4Å; K569-L613 HydrophobicContact CB-CD1 4.25Å; K569-L613 HydrophobicContact CD-CB 4.15Å; K569-L613 VanDerWaalsContact CD-O 3.22Å; K569-L613 WeakPolarHBondContact CD-O 3.44Å; K569-L613 WeakPolarHBondContact CE-O 3.34Å; K569-L613 PolarHBondContact NZ-O 3.41Å
570E83.6Confident75.7Confident163 Ų16377.8 Ų77.876%0.76240%0.401SS*.PPolyproline II helixtrans-79.8127.5168.5-65.5-169.1161.300109.4
571M84.2Confident77.3Confident44 Ų4475.5 Ų75.522%0.21738%0.377CS..PPolyproline II helixtrans-85.9155.7174.9-60.9-61.7-84.400109.5K569 C573 V575 V595 L597 I605K569-M571 HydrophobicContact CD-SD 4.35Å; K569-M571 HydrophobicContact CG-SD 4.41Å; M571-C573 PolarHBondContact O-N 2.73Å; M571-V575 HydrophobicContact CG-CG2 4.19Å; M571-V595 HydrophobicContact CE-CG1 4.27Å; M571-L597 HydrophobicContact CB-CD2 4.02Å; M571-L597 HydrophobicContact CE-CD1 4.02Å; M571-L597 HydrophobicContact CE-CD2 3.95Å; M571-L597 HydrophobicContact CE-CG 4.37Å; M571-L597 HydrophobicContact CG-CD2 4.3Å; M571-I605 HydrophobicContact CE-CD1 3.98Å; M571-I605 HydrophobicContact SD-CD1 4.29Å
572S82.5Confident78.8Confident82 Ų8270.7 Ų70.757%0.57336%0.355SS*.SBendtrans-64.1-25179.651.30000113.4R603S572-R603 PolarHBondContact OG-NH2 3.5Å
573C87.2Confident80.1Confident44 Ų4470.4 Ų70.430%0.29735%0.354SS..SBendtrans-141.6169.3-173.3-61.40000109.6M571 L597 T598M571-C573 PolarHBondContact O-N 2.73Å; C573-L597 HydrophobicContact CB-CB 4.3Å; C573-T598 WeakPolarHBondContact CB-OG1 3.44Å
574E89.9Confident81.5Confident152 Ų15268.4 Ų68.471%0.7135%0.347SS*.  trans-67.7142.3178.7-64.1-175.5170.100111L597 T598E574-L597 WeakPolarHBondContact O-CA 3.46Å; E574-T598 HydrophobicContact CB-CG2 3.88Å; E574-T598 PolarHBondContact O-N 3.44Å
575V91.7Very high82.3Confident39 Ų3972.8 Ų72.824%0.23638%0.379CS..EExtended strand (participates in β ladder)trans-84120.9178.41760000109.1N551 M571 M578 V595 L597N551-V575 PolarHBondContact ND2-O 2.87Å; M571-V575 HydrophobicContact CG-CG2 4.19Å; V575-M578 HydrophobicContact CG1-CG 3.6Å; V575-M578 HydrophobicContact CG1-SD 4.07Å; V575-V595 HydrophobicContact CB-CG1 4.37Å; V575-V595 HydrophobicContact CG1-CG1 3.7Å; V575-V595 HydrophobicContact CG2-CG1 3.86Å; V575-L597 HydrophobicContact CG2-CD2 3.89Å
576V91.6Very high83.4Confident32 Ų3272.2 Ų72.219%0.19440%0.4CS..EExtended strand (participates in β ladder)trans-91-44.2-178.8-179.90000111.3N551 A596 T598 L624N551-V576 PolarHBondContact ND2-O 2.84Å; N551-V576 PolarHBondContact OD1-O 2.98Å; V576-A596 PolarHBondContact N-O 3.42Å; V576-T598 HydrophobicContact CG2-CG2 3.51Å; V576-L624 HydrophobicContact CG1-CD2 4.15Å; V576-L624 HydrophobicContact CG1-CG 4.23Å; V576-L624 HydrophobicContact CG2-CD1 3.9Å; V576-L624 HydrophobicContact CG2-CD2 4.29Å; V576-L624 HydrophobicContact CG2-CG 4.18Å
577S91.4Very high84.2Confident9 Ų971.3 Ų71.36%0.06339%0.388CS..EExtended strand (participates in β ladder)trans-152.3157.6178.865.30000111.3A596 G625 T626 L628S577-A596 PolarHBondContact O-N 3.13Å; S577-A596 WeakPolarHBondContact OG-CB 3.45Å; S577-G625 PolarHBondContact OG-O 2.81Å; S577-T626 WeakPolarHBondContact CB-O 3.32Å; S577-L628 WeakPolarHBondContact OG-CG 3.26Å
578M92.5Very high84.7Confident52 Ų5270.7 Ų70.726%0.25639%0.392SS..EExtended strand (participates in β ladder)trans-137.9147.6-179.4-65.6-175.9-73.100109.7N551 T553 V575 A594 V595N551-M578 VanDerWaalsContact C-CE 3.42Å; N551-M578 HydrophobicContact CB-CE 3.7Å; N551-M578 VanDerWaalsContact O-CE 3.22Å; N551-M578 WeakPolarHBondContact O-CE 3.17Å; T553-M578 HydrophobicContact CG2-CB 3.9Å; V575-M578 HydrophobicContact CG1-CG 3.6Å; V575-M578 HydrophobicContact CG1-SD 4.07Å; M578-A594 CarbonylContact C-O 3.58Å; M578-A594 WeakPolarHBondContact CA-O 3.49Å; M578-V595 HydrophobicContact CG-CG1 4.32Å; M578-V595 HydrophobicContact CG-CG2 4.34Å
579A91.7Very high84.9Confident5 Ų565.7 Ų65.74%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-139.7138.3172.400000111.7A594 L628 I630A579-A594 HydrophobicContact CB-CB 4.47Å; A579-A594 PolarHBondContact N-O 2.7Å; A579-A594 PolarHBondContact O-N 3.49Å; A579-L628 HydrophobicContact CB-CB 3.51Å; A579-L628 WeakPolarHBondContact CB-O 3.39Å; A579-I630 HydrophobicContact CB-CD1 4.48Å; A579-I630 HydrophobicContact CB-CG1 4.12Å
580L88.8Confident85Confident13 Ų1361.6 Ų61.67%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-122.3137.8174.2-170.358.5000108.6T553 N555 C590 F592 L607 K682T553-L580 HydrophobicContact CG2-CB 4Å; T553-L580 WeakPolarHBondContact OG1-CB 3.44Å; T553-L580 PolarHBondContact OG1-N 2.85Å; T553-L580 VanDerWaalsContact OG1-N 3.13Å; N555-L580 HydrophobicContact CB-CD2 3.86Å; N555-L580 HydrophobicContact CB-CG 4.22Å; N555-L580 VanDerWaalsContact ND2-CD2 3.29Å; N555-L580 WeakPolarHBondContact ND2-CD2 3.46Å; L580-C590 HydrophobicContact CD1-CB 4.12Å; L580-F592 WeakPolarHBondContact CD1-O 3.31Å; L580-L607 HydrophobicContact CD1-CD1 3.58Å; L580-K682 PolarHBondContact O-NZ 2.81Å
581A83Confident85.1Confident4 Ų457 Ų573%0.03333%0.331CS..PPolyproline II helixtrans-74.4163.2174.400000110.6C590 I630 L642A581-C590 WeakPolarHBondContact CB-SG 3.31Å; A581-I630 HydrophobicContact CB-CB 3.95Å; A581-I630 HydrophobicContact CB-CG2 3.52Å; A581-L642 HydrophobicContact CB-CD2 4.48Å
582E80.9Confident85.4Confident90 Ų9055.2 Ų55.242%0.42132%0.322SS..PPolyproline II helixtrans-65.4153.8165.8-62-154.8165.900109.9R556 P584R556-E582 IonicContact CZ-OE2 3.66Å; R556-E582 IonicContact NH2-OE1 2.76Å; R556-E582 IonicContact NH2-OE2 3.91Å; R556-E582 PolarHBondContact NH2-OE2 2.84Å; R556-E582 VanDerWaalsContact NH2-OE2 3.11Å; E582-P584 WeakPolarHBondContact O-CD 3.48Å
583V82.7Confident85.8Confident25 Ų2552.4 Ų52.415%0.15230%0.301CS..PPolyproline II helixtrans-75.8121.2176.9-177.80000107.8N555 K557 E587N555-V583 WeakPolarHBondContact ND2-CG2 3.34Å; K557-V583 HydrophobicContact CB-CG2 4.3Å; K557-V583 HydrophobicContact CD-CG1 4.39Å; V583-E587 HydrophobicContact CG1-CB 4.03Å; V583-E587 WeakPolarHBondContact CG1-O 3.45Å
584P79.7Confident86.1Confident52 Ų5250.3 Ų50.334%0.33829%0.286SS..PPolyproline II helixtrans-55.1149.3177.4-2635.2000112.2E582 G586 E587E582-P584 WeakPolarHBondContact O-CD 3.48Å; P584-G586 PolarHBondContact O-N 3.3Å; P584-E587 HydrophobicContact CB-CB 4.37Å; P584-E587 HydrophobicContact CB-CG 4.23Å; P584-E587 PolarHBondContact O-N 3Å
585P76.5Confident86.2Confident135 Ų13543.3 Ų43.388%0.87725%0.254SS*.THydrogen-bonded Turntrans-59.1127.5175.625.3-32.8000110
586G80.5Confident86.3Confident85 Ų8541.4 Ų41.488%0.87624%0.243SC*.THydrogen-bonded Turntrans94.1-18.5-176.100000114.9P584P584-G586 PolarHBondContact O-N 3.3Å
587E80.6Confident86.4Confident100 Ų10039.9 Ų39.947%0.46723%0.234SC..  trans-90.9159176-64.9-169.7176.600112.4K557 V583 P584K557-E587 PolarHBondContact NZ-O 2.99Å; V583-E587 HydrophobicContact CG1-CB 4.03Å; V583-E587 WeakPolarHBondContact CG1-O 3.45Å; P584-E587 HydrophobicContact CB-CB 4.37Å; P584-E587 HydrophobicContact CB-CG 4.23Å; P584-E587 PolarHBondContact O-N 3Å
588V80.8Confident86.4Confident106 Ų10642.3 Ų42.364%0.64225%0.248SC*.SBendtrans-96.3-29179.1-176.50000111.4K557K557-V588 WeakPolarHBondContact CD-O 3.33Å
589R81.2Confident86.4Confident57 Ų5742.8 Ų42.822%0.21525%0.251CS..SBendtrans-143.2155.1-175.665.1-178.470.3-154.90.1109.8Q558 L607Q558-R589 HydrophobicContact CG-CB 4.02Å; R589-L607 WeakPolarHBondContact CD-O 3.31Å; R589-L607 PolarHBondContact NH1-O 3.14Å
590C84Confident86.4Confident4 Ų446.9 Ų46.93%0.02727%0.27CS..  trans-85.3137.3163.8-178.90000108.5Q558 L580 A581Q558-C590 PolarHBondContact OE1-O 2.95Å; L580-C590 HydrophobicContact CD1-CB 4.12Å; A581-C590 WeakPolarHBondContact CB-SG 3.31Å
591R86.8Confident86.7Confident67 Ų6746.6 Ų46.625%0.25327%0.269SS..SBendtrans-72-32.9179.3-177.9171.9-178.7-159.4-7.4113.6S606 L607 D608 V661R591-S606 CarbonylContact O-C 3.53Å; R591-S606 WeakPolarHBondContact O-CA 3.3Å; R591-L607 PolarHBondContact O-N 2.78Å; R591-D608 WeakPolarHBondContact CD-OD2 3.11Å; R591-D608 WeakPolarHBondContact CG-OD2 3.2Å; R591-D608 IonicContact NE-OD2 3.58Å; R591-D608 PolarHBondContact NE-OD2 2.91Å; R591-V661 PolarHBondContact NH1-O 3.45Å; R591-V661 PolarHBondContact NH2-O 2.58Å
592F89.3Confident87.1Confident7 Ų746.4 Ų46.43%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-109.5124.5-165.9-55-67.1000113L580 I604 L616 L642 L658 N660L580-F592 WeakPolarHBondContact CD1-O 3.31Å; F592-I604 HydrophobicContact CB-CG2 4.17Å; F592-I604 HydrophobicContact CD1-CG2 3.72Å; F592-I604 HydrophobicContact CG-CG2 4.32Å; F592-L616 HydrophobicContact CD1-CD1 3.72Å; F592-L616 HydrophobicContact CE1-CD1 3.59Å; F592-L642 HydrophobicContact CD2-CD1 4.21Å; F592-L642 HydrophobicContact CE2-CD1 4.47Å; F592-L658 HydrophobicContact CB-CD2 4.05Å; F592-L658 HydrophobicContact CD2-CD2 3.97Å; F592-L658 HydrophobicContact CG-CD2 4.09Å; F592-N660 WeakPolarHBondContact CE2-O 3.46Å; F592-N660 VanDerWaalsContact CZ-O 3.3Å; F592-N660 WeakPolarHBondContact CZ-O 3.32Å
593L91.1Very high87.7Confident22 Ų2244 Ų4412%0.11525%0.254CS..EExtended strand (participates in β ladder)trans-108.6123167.3173.767.9000109.2T553 V595 I604 I605 L607T553-L593 HydrophobicContact CG2-CD1 3.73Å; L593-V595 HydrophobicContact CD2-CG2 3.91Å; L593-V595 HydrophobicContact CG-CG2 3.81Å; L593-I604 CarbonylContact O-C 3.5Å; L593-I604 WeakPolarHBondContact O-CA 3.09Å; L593-I605 HydrophobicContact CB-CB 4.25Å; L593-I605 PolarHBondContact N-O 2.89Å; L593-I605 PolarHBondContact O-N 2.83Å; L593-L607 HydrophobicContact CB-CD1 4.03Å; L593-L607 HydrophobicContact CB-CD2 4.01Å; L593-L607 HydrophobicContact CB-CG 3.97Å; L593-L607 HydrophobicContact CD2-CD2 4.17Å
594A93Very high88.2Confident0 Ų042.8 Ų42.80%025%0.247CC..EExtended strand (participates in β ladder)trans-95.7130.7172.300000110.3M578 A579 V602 R603 I604 L628 I630 L644M578-A594 CarbonylContact C-O 3.58Å; M578-A594 WeakPolarHBondContact CA-O 3.49Å; A579-A594 HydrophobicContact CB-CB 4.47Å; A579-A594 PolarHBondContact N-O 2.7Å; A579-A594 PolarHBondContact O-N 3.49Å; A594-V602 HydrophobicContact CB-CG1 4.45Å; A594-R603 WeakPolarHBondContact CA-O 3.33Å; A594-I604 HydrophobicContact CB-CD1 3.82Å; A594-L628 HydrophobicContact CB-CD1 4.02Å; A594-I630 HydrophobicContact CB-CD1 4.01Å; A594-I630 HydrophobicContact CB-CG1 4.45Å; A594-L644 HydrophobicContact CB-CD1 3.65Å
595V93.4Very high88.7Confident5 Ų540.6 Ų40.63%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-129120.7-178.8-174.70000110.1M571 V575 M578 L593 L597 V602 R603 I605M571-V595 HydrophobicContact CE-CG1 4.27Å; V575-V595 HydrophobicContact CB-CG1 4.37Å; V575-V595 HydrophobicContact CG1-CG1 3.7Å; V575-V595 HydrophobicContact CG2-CG1 3.86Å; M578-V595 HydrophobicContact CG-CG1 4.32Å; M578-V595 HydrophobicContact CG-CG2 4.34Å; L593-V595 HydrophobicContact CD2-CG2 3.91Å; L593-V595 HydrophobicContact CG-CG2 3.81Å; V595-L597 HydrophobicContact CG1-CD2 4.02Å; V595-V602 CarbonylContact O-C 3.01Å; V595-V602 WeakPolarHBondContact O-CA 3.42Å; V595-R603 PolarHBondContact N-O 2.61Å; V595-R603 PolarHBondContact O-N 3.11Å; V595-I605 HydrophobicContact CB-CD1 4.49Å; V595-I605 HydrophobicContact CG2-CD1 3.82Å
596A93.2Very high89.4Confident0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-92.7135.9171.400000110.5V576 S577 S601 V602 G625 L628V576-A596 PolarHBondContact N-O 3.42Å; S577-A596 PolarHBondContact O-N 3.13Å; S577-A596 WeakPolarHBondContact OG-CB 3.45Å; A596-S601 WeakPolarHBondContact CA-O 3.48Å; A596-V602 HydrophobicContact CB-CG2 4.02Å; A596-G625 WeakPolarHBondContact CB-O 3.21Å; A596-L628 HydrophobicContact CB-CD1 3.83Å; A596-L628 HydrophobicContact CB-CG 4.2Å
597L92.9Very high89.7Confident0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-116.2163.5-177.2-61.6177.8000111.6M571 C573 E574 V575 V595 D599 H600 S601 R603M571-L597 HydrophobicContact CB-CD2 4.02Å; M571-L597 HydrophobicContact CE-CD1 4.02Å; M571-L597 HydrophobicContact CE-CD2 3.95Å; M571-L597 HydrophobicContact CE-CG 4.37Å; M571-L597 HydrophobicContact CG-CD2 4.3Å; C573-L597 HydrophobicContact CB-CB 4.3Å; E574-L597 WeakPolarHBondContact O-CA 3.46Å; V575-L597 HydrophobicContact CG2-CD2 3.89Å; V595-L597 HydrophobicContact CG1-CD2 4.02Å; L597-D599 WeakPolarHBondContact CB-OD1 3.39Å; L597-D599 PolarHBondContact O-N 3.47Å; L597-H600 PolarHBondContact O-N 3.44Å; L597-S601 PolarHBondContact N-O 3.04Å; L597-R603 HydrophobicContact CD1-CG 4.39Å; L597-R603 VanDerWaalsContact CD1-NE 3.3Å
598T92.9Very high89.9Confident60 Ų6027.6 Ų27.637%0.36814%0.139SC..THydrogen-bonded Turntrans-68.2-9.3175.757.10000114.9C573 E574 V576 H600C573-T598 WeakPolarHBondContact CB-OG1 3.44Å; E574-T598 HydrophobicContact CB-CG2 3.88Å; E574-T598 PolarHBondContact O-N 3.44Å; V576-T598 HydrophobicContact CG2-CG2 3.51Å; T598-H600 PolarHBondContact O-N 2.86Å
599D91.6Very high90Very high61 Ų6126.1 Ų26.133%0.32613%0.131SC..THydrogen-bonded Turntrans-81.412.9175662.4000113.7L597 S601 R603L597-D599 WeakPolarHBondContact CB-OD1 3.39Å; L597-D599 PolarHBondContact O-N 3.47Å; D599-S601 VanDerWaalsContact C-N 3.31Å; D599-S601 VanDerWaalsContact CG-OG 3.26Å; D599-S601 PolarHBondContact O-N 2.99Å; D599-S601 VanDerWaalsContact OD1-CB 3.25Å; D599-S601 WeakPolarHBondContact OD1-CB 3.17Å; D599-S601 PolarHBondContact OD1-N 2.92Å; D599-S601 PolarHBondContact OD1-OG 3.49Å; D599-S601 PolarHBondContact OD2-OG 3.41Å; D599-R603 IonicContact OD2-NH2 3.72Å; D599-R603 PolarHBondContact OD2-NH2 2.78Å; D599-R603 VanDerWaalsContact OD2-NH2 3.1Å
600H92.6Very high90.2Very high92 Ų9230.3 Ų30.343%0.42616%0.163SC..SBendtrans59.236.9-173-47.9-68000113L597 T598 L621 L624L597-H600 PolarHBondContact O-N 3.44Å; T598-H600 PolarHBondContact O-N 2.86Å; H600-L621 WeakPolarHBondContact O-CB 3.28Å; H600-L621 PolarHBondContact O-N 3.27Å; H600-L624 PolarHBondContact ND1-N 3.49Å
601S93.4Very high90.3Very high6 Ų632.3 Ų32.34%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-122.9153172.8760000113A596 L597 D599 Q619A596-S601 WeakPolarHBondContact CA-O 3.48Å; L597-S601 PolarHBondContact N-O 3.04Å; D599-S601 VanDerWaalsContact C-N 3.31Å; D599-S601 VanDerWaalsContact CG-OG 3.26Å; D599-S601 PolarHBondContact O-N 2.99Å; D599-S601 VanDerWaalsContact OD1-CB 3.25Å; D599-S601 WeakPolarHBondContact OD1-CB 3.17Å; D599-S601 PolarHBondContact OD1-N 2.92Å; D599-S601 PolarHBondContact OD1-OG 3.49Å; D599-S601 PolarHBondContact OD2-OG 3.41Å; S601-Q619 CarbonylContact C-O 3.55Å; S601-Q619 WeakPolarHBondContact CA-O 3.27Å
602V93.1Very high90.2Very high1 Ų130.2 Ų30.21%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-113132.2165.51730000109A594 V595 A596 M618 Q619 L621 L628 L644A594-V602 HydrophobicContact CB-CG1 4.45Å; V595-V602 CarbonylContact O-C 3.01Å; V595-V602 WeakPolarHBondContact O-CA 3.42Å; A596-V602 HydrophobicContact CB-CG2 4.02Å; V602-M618 WeakPolarHBondContact O-CA 3.32Å; V602-Q619 PolarHBondContact N-O 2.78Å; V602-Q619 PolarHBondContact O-N 2.68Å; V602-L621 HydrophobicContact CG2-CD1 3.43Å; V602-L621 VanDerWaalsContact CG2-CD1 3.43Å; V602-L621 HydrophobicContact CG2-CD2 3.92Å; V602-L621 HydrophobicContact CG2-CG 3.84Å; V602-L628 HydrophobicContact CG1-CD1 4.38Å; V602-L628 HydrophobicContact CG2-CD1 4.46Å; V602-L628 HydrophobicContact CG2-CD2 3.95Å; V602-L644 HydrophobicContact CG1-CD2 3.96Å
603R92.5Very high90Very high39 Ų3931.1 Ų31.115%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-116.8134.3178.3-57.3-171-170.6175.48110.2S572 A594 V595 L597 D599 Y617 M618S572-R603 PolarHBondContact OG-NH2 3.5Å; A594-R603 WeakPolarHBondContact CA-O 3.33Å; V595-R603 PolarHBondContact N-O 2.61Å; V595-R603 PolarHBondContact O-N 3.11Å; L597-R603 HydrophobicContact CD1-CG 4.39Å; L597-R603 VanDerWaalsContact CD1-NE 3.3Å; D599-R603 IonicContact OD2-NH2 3.72Å; D599-R603 PolarHBondContact OD2-NH2 2.78Å; D599-R603 VanDerWaalsContact OD2-NH2 3.1Å; R603-Y617 CarbonylContact C-O 3.58Å; R603-Y617 WeakPolarHBondContact CA-O 3.25Å; R603-M618 HydrophobicContact CG-CB 4.46Å; R603-M618 HydrophobicContact CG-CG 4.24Å
604I92.9Very high89.8Confident0 Ų031.9 Ų31.90%018%0.183CC..EExtended strand (participates in β ladder)trans-93.1125.4169.9-54.7-55000107.9F592 L593 A594 L616 Y617 L644 L658 L665F592-I604 HydrophobicContact CB-CG2 4.17Å; F592-I604 HydrophobicContact CD1-CG2 3.72Å; F592-I604 HydrophobicContact CG-CG2 4.32Å; L593-I604 CarbonylContact O-C 3.5Å; L593-I604 WeakPolarHBondContact O-CA 3.09Å; A594-I604 HydrophobicContact CB-CD1 3.82Å; I604-L616 HydrophobicContact CG2-CB 4.39Å; I604-L616 HydrophobicContact CG2-CD1 4.3Å; I604-L616 PolarHBondContact O-N 2.89Å; I604-Y617 PolarHBondContact N-O 2.8Å; I604-Y617 PolarHBondContact O-N 3.45Å; I604-L644 HydrophobicContact CD1-CD2 4.13Å; I604-L658 HydrophobicContact CD1-CD1 4.22Å; I604-L658 HydrophobicContact CG1-CD1 4.15Å; I604-L658 HydrophobicContact CG2-CD1 4.33Å; I604-L665 HydrophobicContact CD1-CD1 4.22Å; I604-L665 HydrophobicContact CD1-CD2 4.27Å; I604-L665 HydrophobicContact CD1-CG 4.49Å; I604-L665 HydrophobicContact CG1-CD1 4.06Å; I604-L665 HydrophobicContact CG1-CD2 4.32Å; I604-L665 HydrophobicContact CG1-CG 4.12Å
605I90.9Very high89.6Confident5 Ų534.7 Ų34.73%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-117.8135.8-177.1-63.4-179.3000108.7M571 L593 V595 L613 A614M571-I605 HydrophobicContact CE-CD1 3.98Å; M571-I605 HydrophobicContact SD-CD1 4.29Å; L593-I605 HydrophobicContact CB-CB 4.25Å; L593-I605 PolarHBondContact N-O 2.89Å; L593-I605 PolarHBondContact O-N 2.83Å; V595-I605 HydrophobicContact CB-CD1 4.49Å; V595-I605 HydrophobicContact CG2-CD1 3.82Å; I605-L613 HydrophobicContact CG2-CB 4.5Å; I605-L613 HydrophobicContact CG2-CD2 4.29Å; I605-A614 CarbonylContact C-O 3.54Å; I605-A614 VanDerWaalsContact CA-O 3.28Å; I605-A614 WeakPolarHBondContact CA-O 3.49Å
606S90.1Very high89.5Confident0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-78.7137.4174.3-169.50000111.3R591 D608 D611 L613 A614R591-S606 CarbonylContact O-C 3.53Å; R591-S606 WeakPolarHBondContact O-CA 3.3Å; S606-D608 PolarHBondContact OG-N 2.73Å; S606-D611 VanDerWaalsContact CB-CG 3.49Å; S606-D611 VanDerWaalsContact CB-OD1 3.31Å; S606-D611 WeakPolarHBondContact CB-OD1 3.39Å; S606-D611 WeakPolarHBondContact CB-OD2 3.34Å; S606-D611 PolarHBondContact OG-OD1 2.78Å; S606-D611 PolarHBondContact OG-OD2 2.85Å; S606-L613 WeakPolarHBondContact O-CA 3.36Å; S606-L613 PolarHBondContact O-N 3.25Å; S606-A614 PolarHBondContact N-O 2.57Å
607L86.9Confident89.4Confident2 Ų241 Ų411%0.0123%0.23CC..  trans-110.18.7171.8-57.7-174.1000112.3E564 L580 R589 R591 L593 L613E564-L607 HydrophobicContact CG-CD2 4.29Å; L580-L607 HydrophobicContact CD1-CD1 3.58Å; R589-L607 WeakPolarHBondContact CD-O 3.31Å; R589-L607 PolarHBondContact NH1-O 3.14Å; R591-L607 PolarHBondContact O-N 2.78Å; L593-L607 HydrophobicContact CB-CD1 4.03Å; L593-L607 HydrophobicContact CB-CD2 4.01Å; L593-L607 HydrophobicContact CB-CG 3.97Å; L593-L607 HydrophobicContact CD2-CD2 4.17Å; L607-L613 HydrophobicContact CD2-CD2 4.46Å
608D85.7Confident89.3Confident46 Ų4646.2 Ų46.225%0.24626%0.256CS..SBendtrans-68.5147.5172.7-81.3-19.2000110.6R591 S606 V610 D611 C612R591-D608 WeakPolarHBondContact CD-OD2 3.11Å; R591-D608 WeakPolarHBondContact CG-OD2 3.2Å; R591-D608 IonicContact NE-OD2 3.58Å; R591-D608 PolarHBondContact NE-OD2 2.91Å; S606-D608 PolarHBondContact OG-N 2.73Å; D608-V610 PolarHBondContact O-N 2.61Å; D608-V610 VanDerWaalsContact O-N 3.13Å; D608-D611 WeakPolarHBondContact CB-OD1 3.47Å; D608-D611 CarbonylContact O-C 3.58Å; D608-D611 PolarHBondContact O-N 2.79Å; D608-C612 WeakPolarHBondContact O-CA 3.3Å; D608-C612 VanDerWaalsContact O-CB 3.28Å; D608-C612 WeakPolarHBondContact O-CB 3.4Å; D608-C612 PolarHBondContact O-N 2.85Å
609P82.9Confident89.2Confident75 Ų7545.2 Ų45.249%0.48725%0.247SC..SBendtrans-60-25.6-179.3-2331.9000114.5
610V85.3Confident89.3Confident145 Ų14546.3 Ų46.388%0.87927%0.265SS*.SBendtrans-77-40.2-172.9-177.10000111.4D608D608-V610 PolarHBondContact O-N 2.61Å; D608-V610 VanDerWaalsContact O-N 3.13Å
611D86.2Confident89.3Confident46 Ų4642.7 Ų42.725%0.24625%0.249CC..SBendtrans-12838.4-177.462.6-12.2000110.7S606 D608 L613 A614S606-D611 VanDerWaalsContact CB-CG 3.49Å; S606-D611 VanDerWaalsContact CB-OD1 3.31Å; S606-D611 WeakPolarHBondContact CB-OD1 3.39Å; S606-D611 WeakPolarHBondContact CB-OD2 3.34Å; S606-D611 PolarHBondContact OG-OD1 2.78Å; S606-D611 PolarHBondContact OG-OD2 2.85Å; D608-D611 WeakPolarHBondContact CB-OD1 3.47Å; D608-D611 CarbonylContact O-C 3.58Å; D608-D611 PolarHBondContact O-N 2.79Å; D611-L613 PolarHBondContact O-N 3.49Å; D611-A614 HydrophobicContact CB-CB 3.94Å; D611-A614 WeakPolarHBondContact O-CB 3.34Å; D611-A614 PolarHBondContact O-N 2.81Å
612C84.6Confident89.2Confident23 Ų2347.2 Ų47.216%0.15528%0.278CS..THydrogen-bonded Turntrans-54.6127.3-176-172.30000110.7D608 A614D608-C612 WeakPolarHBondContact O-CA 3.3Å; D608-C612 VanDerWaalsContact O-CB 3.28Å; D608-C612 WeakPolarHBondContact O-CB 3.4Å; D608-C612 PolarHBondContact O-N 2.85Å; C612-A614 PolarHBondContact O-N 2.81Å
613L84.5Confident89.2Confident25 Ų2547.9 Ų47.913%0.13128%0.283CS..THydrogen-bonded Turntrans63.512.6-176.3-57.4169.9000114.9E567 K569 I605 S606 L607 D611E567-L613 HydrophobicContact CB-CD1 4.31Å; E567-L613 HydrophobicContact CG-CD1 4.43Å; E567-L613 VanDerWaalsContact O-CD1 3.24Å; E567-L613 WeakPolarHBondContact O-CD1 3.3Å; K569-L613 HydrophobicContact CB-CB 4.4Å; K569-L613 HydrophobicContact CB-CD1 4.25Å; K569-L613 HydrophobicContact CD-CB 4.15Å; K569-L613 VanDerWaalsContact CD-O 3.22Å; K569-L613 WeakPolarHBondContact CD-O 3.44Å; K569-L613 WeakPolarHBondContact CE-O 3.34Å; K569-L613 PolarHBondContact NZ-O 3.41Å; I605-L613 HydrophobicContact CG2-CB 4.5Å; I605-L613 HydrophobicContact CG2-CD2 4.29Å; S606-L613 WeakPolarHBondContact O-CA 3.36Å; S606-L613 PolarHBondContact O-N 3.25Å; L607-L613 HydrophobicContact CD2-CD2 4.46Å; D611-L613 PolarHBondContact O-N 3.49Å
614A88.1Confident89.2Confident39 Ų3947.6 Ų47.632%0.32229%0.285SS..  trans-70.2141.2170.600000111I605 S606 D611 C612I605-A614 CarbonylContact C-O 3.54Å; I605-A614 VanDerWaalsContact CA-O 3.28Å; I605-A614 WeakPolarHBondContact CA-O 3.49Å; S606-A614 PolarHBondContact N-O 2.57Å; D611-A614 HydrophobicContact CB-CB 3.94Å; D611-A614 WeakPolarHBondContact O-CB 3.34Å; D611-A614 PolarHBondContact O-N 2.81Å; C612-A614 PolarHBondContact O-N 2.81Å
615S88.5Confident89.2Confident59 Ų5947.7 Ų47.741%0.41329%0.285SS..EExtended strand (participates in β ladder)trans-82.5117.6174.5-162.20000108.6
616L90.1Very high89.2Confident54 Ų5449.4 Ų49.428%0.28330%0.296SS..EExtended strand (participates in β ladder)trans-86.3-48.9179.7-64.2177.4000111.6F592 I604F592-L616 HydrophobicContact CD1-CD1 3.72Å; F592-L616 HydrophobicContact CE1-CD1 3.59Å; I604-L616 HydrophobicContact CG2-CB 4.39Å; I604-L616 HydrophobicContact CG2-CD1 4.3Å; I604-L616 PolarHBondContact O-N 2.89Å
617Y90.9Very high89.4Confident82 Ų8250.2 Ų50.232%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-144.1152.7-175.2-162-100.4000111.6R603 I604 Q619 G663 E664 L665R603-Y617 CarbonylContact C-O 3.58Å; R603-Y617 WeakPolarHBondContact CA-O 3.25Å; I604-Y617 PolarHBondContact N-O 2.8Å; I604-Y617 PolarHBondContact O-N 3.45Å; Y617-Q619 HydrophobicContact CE1-CB 4.25Å; Y617-G663 WeakPolarHBondContact CB-O 3.23Å; Y617-E664 HydrophobicContact CD2-CB 4.22Å; Y617-E664 HydrophobicContact CD2-CG 3.77Å; Y617-E664 HydrophobicContact CE2-CB 4.26Å; Y617-E664 HydrophobicContact CE2-CG 3.89Å; Y617-L665 HydrophobicContact CD1-CB 3.92Å; Y617-L665 HydrophobicContact CD1-CD1 4.07Å; Y617-L665 HydrophobicContact CD1-CG 3.92Å; Y617-L665 HydrophobicContact CE1-CB 3.79Å; Y617-L665 HydrophobicContact CE1-CD1 4.48Å; Y617-L665 HydrophobicContact CE1-CG 4.3Å
618M91.4Very high89.8Confident110 Ų11050.8 Ų50.854%0.54231%0.305SS..EExtended strand (participates in β ladder)trans-132.8130.5175.3179.2-155.4-69.200108.9V602 R603V602-M618 WeakPolarHBondContact O-CA 3.32Å; R603-M618 HydrophobicContact CG-CB 4.46Å; R603-M618 HydrophobicContact CG-CG 4.24Å
619Q91.3Very high90.1Very high40 Ų4048.8 Ų48.819%0.18729%0.294CS..EExtended strand (participates in β ladder)trans-123.6132.6172.3-175.9173.63.600109.9S601 V602 Y617 L665 T668S601-Q619 CarbonylContact C-O 3.55Å; S601-Q619 WeakPolarHBondContact CA-O 3.27Å; V602-Q619 PolarHBondContact N-O 2.78Å; V602-Q619 PolarHBondContact O-N 2.68Å; Y617-Q619 HydrophobicContact CE1-CB 4.25Å; Q619-L665 HydrophobicContact CB-CD1 3.92Å; Q619-L665 VanDerWaalsContact OE1-CD1 3.23Å; Q619-T668 PolarHBondContact NE2-OG1 3.23Å; Q619-T668 VanDerWaalsContact NE2-OG1 3.13Å
620A93.1Very high90.6Very high84 Ų8445.3 Ų45.369%0.69427%0.272SS*.EExtended strand (participates in β ladder)trans-76.1137.1170.500000110.3
621L92.3Very high90.6Very high16 Ų1638.7 Ų38.78%0.08423%0.232CC..  trans-101.9148175.5-59.8-178.3000110.3H600 V602 A623 L648 L654H600-L621 WeakPolarHBondContact O-CB 3.28Å; H600-L621 PolarHBondContact O-N 3.27Å; V602-L621 HydrophobicContact CG2-CD1 3.43Å; V602-L621 VanDerWaalsContact CG2-CD1 3.43Å; V602-L621 HydrophobicContact CG2-CD2 3.92Å; V602-L621 HydrophobicContact CG2-CG 3.84Å; L621-A623 WeakPolarHBondContact CB-O 3.24Å; L621-A623 PolarHBondContact O-N 2.82Å; L621-L648 HydrophobicContact CB-CD2 4.24Å; L621-L648 HydrophobicContact CD1-CD2 3.76Å; L621-L648 HydrophobicContact CD2-CD2 4.42Å; L621-L648 HydrophobicContact CG-CD2 4.38Å; L621-L654 HydrophobicContact CD2-CD1 3.77Å
622P91.4Very high90.1Very high101 Ų10139 Ų3966%0.65624%0.24SC*.SBendtrans-64.6-23.9173.9-2232.8000114.5L648P622-L648 HydrophobicContact CB-CD1 4.33Å; P622-L648 HydrophobicContact CG-CD1 4.26Å
623A93.1Very high89.2Confident14 Ų1438.6 Ų38.612%0.11624%0.238CC..SBendtrans-151.5177.8-178.200000109.8L621 G625 L648 N650L621-A623 WeakPolarHBondContact CB-O 3.24Å; L621-A623 PolarHBondContact O-N 2.82Å; A623-G625 PolarHBondContact O-N 3.48Å; A623-L648 HydrophobicContact CB-CB 4.22Å; A623-L648 HydrophobicContact CB-CD1 4.2Å; A623-N650 HydrophobicContact CB-CB 4.36Å
624L94Very high87.9Confident34 Ų3445 Ų4518%0.17827%0.267CS..  trans-63.2128.6-179.3-162.772.6000111.6V576 H600 T626 L648 E649V576-L624 HydrophobicContact CG1-CD2 4.15Å; V576-L624 HydrophobicContact CG1-CG 4.23Å; V576-L624 HydrophobicContact CG2-CD1 3.9Å; V576-L624 HydrophobicContact CG2-CD2 4.29Å; V576-L624 HydrophobicContact CG2-CG 4.18Å; H600-L624 PolarHBondContact ND1-N 3.49Å; L624-T626 PolarHBondContact O-N 2.78Å; L624-L648 CarbonylContact O-C 3.47Å; L624-L648 VanDerWaalsContact O-CA 3.31Å; L624-L648 WeakPolarHBondContact O-CA 2.99Å; L624-E649 HydrophobicContact CB-CB 4.13Å; L624-E649 WeakPolarHBondContact CB-OE2 3.22Å; L624-E649 PolarHBondContact O-N 3.47Å
625G92.2Very high86.2Confident1 Ų144.8 Ų44.81%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-7883178.200000112.5S577 A596 A623 S627 G647S577-G625 PolarHBondContact OG-O 2.81Å; A596-G625 WeakPolarHBondContact CB-O 3.21Å; A623-G625 PolarHBondContact O-N 3.48Å; G625-S627 PolarHBondContact O-N 3.32Å; G625-G647 CarbonylContact C-O 3.47Å
626T91.7Very high84Confident42 Ų4249.6 Ų49.626%0.25829%0.285SS..EExtended strand (participates in β ladder)trans-65.3-32.6-176.447.60000114.4S577 L624 G647 E649 P677 V678S577-T626 WeakPolarHBondContact CB-O 3.32Å; L624-T626 PolarHBondContact O-N 2.78Å; T626-G647 PolarHBondContact N-O 2.84Å; T626-G647 PolarHBondContact OG1-O 3.12Å; T626-E649 HydrophobicContact CG2-CB 3.79Å; T626-E649 HydrophobicContact CG2-CG 4.35Å; T626-P677 HydrophobicContact CG2-CB 4.2Å; T626-V678 PolarHBondContact OG1-O 3.07Å
627S93.9Very high81.9Confident16 Ų1654.2 Ų54.211%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-144150.1174.568.70000111.3G625 G647 V678 K679 L680G625-S627 PolarHBondContact O-N 3.32Å; S627-G647 PolarHBondContact N-O 3.22Å; S627-G647 VanDerWaalsContact N-O 3.11Å; S627-G647 PolarHBondContact O-N 2.91Å; S627-V678 PolarHBondContact OG-O 3.47Å; S627-K679 WeakPolarHBondContact OG-CA 3.5Å; S627-L680 WeakPolarHBondContact OG-CG 3.26Å; S627-L680 PolarHBondContact OG-N 2.69Å; S627-L680 VanDerWaalsContact OG-N 3.08Å
628L94.5Very high79.5Confident15 Ų1557.7 Ų57.78%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-129.2147.4176.4-65.9178000109.1S577 A579 A594 A596 V602 L644 N645 A646S577-L628 WeakPolarHBondContact OG-CG 3.26Å; A579-L628 HydrophobicContact CB-CB 3.51Å; A579-L628 WeakPolarHBondContact CB-O 3.39Å; A594-L628 HydrophobicContact CB-CD1 4.02Å; A596-L628 HydrophobicContact CB-CD1 3.83Å; A596-L628 HydrophobicContact CB-CG 4.2Å; V602-L628 HydrophobicContact CG1-CD1 4.38Å; V602-L628 HydrophobicContact CG2-CD1 4.46Å; V602-L628 HydrophobicContact CG2-CD2 3.95Å; L628-L644 HydrophobicContact CD2-CD1 4.45Å; L628-N645 CarbonylContact C-O 3.59Å; L628-N645 WeakPolarHBondContact CA-O 3.22Å; L628-A646 HydrophobicContact CD2-CB 3.49Å; L628-A646 VanDerWaalsContact CD2-CB 3.49Å
629C92.8Very high77.5Confident4 Ų456 Ų563%0.02733%0.334CS..EExtended strand (participates in β ladder)trans-148.6122.5173.7178.60000110.8N645 L680 K682 V691C629-N645 HydrophobicContact CB-CB 4.38Å; C629-N645 PolarHBondContact N-O 3.24Å; C629-N645 WeakPolarHBondContact O-CB 3.36Å; C629-N645 PolarHBondContact O-N 2.92Å; C629-N645 PolarHBondContact O-ND2 2.8Å; C629-L680 HydrophobicContact CB-CB 3.79Å; C629-L680 HydrophobicContact CB-CD1 4.1Å; C629-K682 WeakPolarHBondContact SG-CG 3.39Å; C629-V691 HydrophobicContact CB-CG1 4.42Å
630I91.9Very high76.1Confident2 Ų255.5 Ų55.51%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-97.5118.3171.5-55.4171.2000108.6A579 A581 A594 L642 F643 L644 L658 K682A579-I630 HydrophobicContact CB-CD1 4.48Å; A579-I630 HydrophobicContact CB-CG1 4.12Å; A581-I630 HydrophobicContact CB-CB 3.95Å; A581-I630 HydrophobicContact CB-CG2 3.52Å; A594-I630 HydrophobicContact CB-CD1 4.01Å; A594-I630 HydrophobicContact CB-CG1 4.45Å; I630-L642 HydrophobicContact CG2-CD2 4.22Å; I630-F643 WeakPolarHBondContact CA-O 3.25Å; I630-L644 HydrophobicContact CG1-CD1 3.78Å; I630-L658 HydrophobicContact CG2-CD2 4.44Å; I630-K682 WeakPolarHBondContact O-CE 3.5Å; I630-K682 PolarHBondContact O-NZ 2.72Å
631A85.4Confident75.3Confident6 Ų653.5 Ų53.55%0.0532%0.321CS..EExtended strand (participates in β ladder)trans-120.5135.1177.100000110.1F643 T689 V691A631-F643 PolarHBondContact N-O 3.34Å; A631-F643 PolarHBondContact O-N 3.44Å; A631-T689 HydrophobicContact CB-CG2 4.21Å; A631-V691 HydrophobicContact CB-CG2 3.67Å
632A76.7Confident75Confident51 Ų5153.9 Ų53.942%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-91.5136.5169.700000108.4L642A632-L642 HydrophobicContact CB-CD2 3.72Å
633C64.6Low74.9Confident15 Ų1550 Ų5010%0.10130%0.295CS..EExtended strand (participates in β ladder)trans-112.2129.8168.6-71.80000109.6G635 G640 S641 F643 Y708C633-G635 PolarHBondContact O-N 2.76Å; C633-G635 VanDerWaalsContact O-N 3.13Å; C633-G640 WeakPolarHBondContact O-CA 3.5Å; C633-S641 PolarHBondContact N-O 3.49Å; C633-F643 HydrophobicContact CB-CE2 4.26Å; C633-Y708 HydrophobicContact CB-CE1 4.33Å; C633-Y708 WeakPolarHBondContact CB-OH 3.34Å
634E58.7Low74.9Confident159 Ų15949.4 Ų49.474%0.74329%0.29SS*.  trans-76.393.7169-63.6-174.7170.400107.7
635G52.5Low74.9Confident35 Ų3547.9 Ų47.936%0.36128%0.282SS..  trans-98.7171.3165.900000110.5C633 E637C633-G635 PolarHBondContact O-N 2.76Å; C633-G635 VanDerWaalsContact O-N 3.13Å; G635-E637 PolarHBondContact O-N 3.46Å
636E42.6Very low75.1Confident161 Ų16148 Ų4875%0.75228%0.283SS*.SBendtrans-56.9-16.3-177.9-67.5-176.1163.600114.8T638E636-T638 PolarHBondContact O-N 3.34Å
637E44.5Very low75.3Confident150 Ų15046 Ų4670%0.70127%0.271SS*.SBendtrans-74.6121.6171.1-64.4-166.9168.300109.9G635 S639G635-E637 PolarHBondContact O-N 3.46Å; E637-S639 CarbonylContact O-C 3.59Å; E637-S639 PolarHBondContact O-N 3.19Å
638T40.9Very low75.3Confident156 Ų15645.2 Ų45.296%0.95727%0.266SS*.SBendtrans-55.31.2-178.543.90000115.7E636E636-T638 PolarHBondContact O-N 3.34Å
639S50Low75.3Confident74 Ų7449.4 Ų49.452%0.51729%0.285SS..SBendtrans-132.992.7172.541.40000108.2E637 S641E637-S639 CarbonylContact O-C 3.59Å; E637-S639 PolarHBondContact O-N 3.19Å; S639-S641 PolarHBondContact O-N 3.26Å
640G61.2Low75.2Confident29 Ų2952.7 Ų52.730%0.29930%0.302SS..PPolyproline II helixtrans-48.6137.2-175.700000113.3C633 N660C633-G640 WeakPolarHBondContact O-CA 3.5Å; G640-N660 PolarHBondContact O-ND2 2.83Å
641S75.9Confident75.1Confident43 Ų4352.6 Ų52.630%0.30130%0.302SS..EExtended strand (participates in β ladder)trans-78.6132.9179.546.80000110.5C633 S639 F643C633-S641 PolarHBondContact N-O 3.49Å; S639-S641 PolarHBondContact O-N 3.26Å; S641-F643 VanDerWaalsContact OG-CE2 3.29Å; S641-F643 WeakPolarHBondContact OG-CE2 3.38Å
642L87Confident75.4Confident24 Ų2453.2 Ų53.213%0.12630%0.304CS..EExtended strand (participates in β ladder)trans-89.1134.2174.7-70.2172.8000110.1A581 F592 I630 A632 L658 N660A581-L642 HydrophobicContact CB-CD2 4.48Å; F592-L642 HydrophobicContact CD2-CD1 4.21Å; F592-L642 HydrophobicContact CE2-CD1 4.47Å; I630-L642 HydrophobicContact CG2-CD2 4.22Å; A632-L642 HydrophobicContact CB-CD2 3.72Å; L642-L658 HydrophobicContact CB-CB 4.04Å; L642-L658 HydrophobicContact CB-CD2 4.2Å; L642-L658 HydrophobicContact CB-CG 4.43Å; L642-L658 HydrophobicContact CD1-CD2 4.28Å; L642-L658 PolarHBondContact O-N 2.96Å; L642-N660 WeakPolarHBondContact CB-OD1 3.44Å; L642-N660 VanDerWaalsContact CD1-OD1 3.27Å; L642-N660 WeakPolarHBondContact CD1-OD1 3.28Å; L642-N660 VanDerWaalsContact CG-OD1 3.24Å; L642-N660 WeakPolarHBondContact CG-OD1 3.41Å
643F89.5Confident76.2Confident18 Ų1851.1 Ų51.18%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-117.5128.8173.4-63.4-86.4000110.4I630 A631 C633 S641 R655 T656 V657 Y708I630-F643 WeakPolarHBondContact CA-O 3.25Å; A631-F643 PolarHBondContact N-O 3.34Å; A631-F643 PolarHBondContact O-N 3.44Å; C633-F643 HydrophobicContact CB-CE2 4.26Å; S641-F643 VanDerWaalsContact OG-CE2 3.29Å; S641-F643 WeakPolarHBondContact OG-CE2 3.38Å; F643-R655 HydrophobicContact CB-CG 4.4Å; F643-R655 HydrophobicContact CD1-CG 4.14Å; F643-R655 VanDerWaalsContact CD1-NE 3.29Å; F643-T656 CarbonylContact C-O 3.55Å; F643-T656 WeakPolarHBondContact CA-O 3.25Å; F643-V657 HydrophobicContact CD1-CG2 4.07Å; F643-V657 HydrophobicContact CE1-CG2 3.63Å; F643-Y708 HydrophobicContact CE2-CE1 4.44Å; F643-Y708 AromaticContact CE2-CZ 3.87Å; F643-Y708 WeakPolarHBondContact CE2-OH 3.42Å; F643-Y708 HydrophobicContact CZ-CE2 4.29Å
644L93.2Very high77.5Confident3 Ų350.7 Ų50.72%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-90.7117.5166.8176.768000109.2A594 V602 I604 L628 I630 T656 L665A594-L644 HydrophobicContact CB-CD1 3.65Å; V602-L644 HydrophobicContact CG1-CD2 3.96Å; I604-L644 HydrophobicContact CD1-CD2 4.13Å; L628-L644 HydrophobicContact CD2-CD1 4.45Å; I630-L644 HydrophobicContact CG1-CD1 3.78Å; L644-T656 PolarHBondContact N-O 2.88Å; L644-T656 PolarHBondContact O-N 3.41Å; L644-L665 HydrophobicContact CB-CD2 4.06Å; L644-L665 HydrophobicContact CD2-CD1 3.79Å; L644-L665 HydrophobicContact CD2-CD2 3.71Å; L644-L665 HydrophobicContact CD2-CG 4.44Å
645N94.2Very high79Confident1 Ų143.9 Ų43.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-101.4126.5171.8-57.5-81000108.7L628 C629 L653 L654 R655 L680 L701L628-N645 CarbonylContact C-O 3.59Å; L628-N645 WeakPolarHBondContact CA-O 3.22Å; C629-N645 HydrophobicContact CB-CB 4.38Å; C629-N645 PolarHBondContact N-O 3.24Å; C629-N645 WeakPolarHBondContact O-CB 3.36Å; C629-N645 PolarHBondContact O-N 2.92Å; C629-N645 PolarHBondContact O-ND2 2.8Å; N645-L653 HydrophobicContact CB-CD1 4.28Å; N645-L654 CarbonylContact C-O 3.6Å; N645-L654 VanDerWaalsContact CA-O 3.29Å; N645-L654 WeakPolarHBondContact CA-O 3.2Å; N645-R655 WeakPolarHBondContact OD1-CG 3.28Å; N645-L680 HydrophobicContact CB-CD1 3.85Å; N645-L680 VanDerWaalsContact O-CD1 3.28Å; N645-L680 WeakPolarHBondContact O-CD1 2.99Å; N645-L701 WeakPolarHBondContact OD1-CD2 3.37Å
646A94.8Very high80.8Confident4 Ų442.4 Ų42.43%0.03323%0.234CC..EExtended strand (participates in β ladder)trans-121.7116.617800000110.6L628 L654L628-A646 HydrophobicContact CD2-CB 3.49Å; L628-A646 VanDerWaalsContact CD2-CB 3.49Å; A646-L654 HydrophobicContact CB-CB 4.32Å; A646-L654 PolarHBondContact N-O 3.49Å; A646-L654 PolarHBondContact O-N 3.27Å
647G95.7Very high83Confident0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-92.7120.5176.300000110.9G625 T626 S627G625-G647 CarbonylContact C-O 3.47Å; T626-G647 PolarHBondContact N-O 2.84Å; T626-G647 PolarHBondContact OG1-O 3.12Å; S627-G647 PolarHBondContact N-O 3.22Å; S627-G647 VanDerWaalsContact N-O 3.11Å; S627-G647 PolarHBondContact O-N 2.91Å
648L95.2Very high85.2Confident0 Ų029.7 Ų29.70%018%0.178CC..EExtended strand (participates in β ladder)trans-95.3157.4-175.5-53.9-171.7000112.6L621 P622 A623 L624 N650 G651 V652 L654 V678L621-L648 HydrophobicContact CB-CD2 4.24Å; L621-L648 HydrophobicContact CD1-CD2 3.76Å; L621-L648 HydrophobicContact CD2-CD2 4.42Å; L621-L648 HydrophobicContact CG-CD2 4.38Å; P622-L648 HydrophobicContact CB-CD1 4.33Å; P622-L648 HydrophobicContact CG-CD1 4.26Å; A623-L648 HydrophobicContact CB-CB 4.22Å; A623-L648 HydrophobicContact CB-CD1 4.2Å; L624-L648 CarbonylContact O-C 3.47Å; L624-L648 VanDerWaalsContact O-CA 3.31Å; L624-L648 WeakPolarHBondContact O-CA 2.99Å; L648-N650 VanDerWaalsContact C-N 3.28Å; L648-N650 VanDerWaalsContact CB-OD1 3.25Å; L648-N650 WeakPolarHBondContact CB-OD1 3.35Å; L648-N650 PolarHBondContact O-N 3.36Å; L648-G651 PolarHBondContact O-N 3.28Å; L648-G651 VanDerWaalsContact O-N 3.16Å; L648-V652 HydrophobicContact CB-CB 4.33Å; L648-V652 VanDerWaalsContact CB-O 3.31Å; L648-V652 WeakPolarHBondContact CB-O 3.39Å; L648-V652 HydrophobicContact CD1-CB 4.04Å; L648-V652 HydrophobicContact CD1-CG1 4.16Å; L648-V652 HydrophobicContact CG-CB 4.39Å; L648-V652 WeakPolarHBondContact CG-O 3.43Å; L648-V652 PolarHBondContact N-O 3.29Å; L648-L654 HydrophobicContact CD1-CD1 3.93Å; L648-L654 HydrophobicContact CD1-CG 4.24Å; L648-L654 HydrophobicContact CD2-CD1 4.3Å; L648-L654 HydrophobicContact CG-CD1 4.36Å; L648-V678 PolarHBondContact O-N 2.86Å; L648-V678 VanDerWaalsContact O-N 3.12Å
649E94Very high87.4Confident102 Ų10224.4 Ų24.448%0.47714%0.144SC..THydrogen-bonded Turntrans-60.9-34.3178.4-173.7178.8-174.700113.3L624 T626 G651 P677L624-E649 HydrophobicContact CB-CB 4.13Å; L624-E649 WeakPolarHBondContact CB-OE2 3.22Å; L624-E649 PolarHBondContact O-N 3.47Å; T626-E649 HydrophobicContact CG2-CB 3.79Å; T626-E649 HydrophobicContact CG2-CG 4.35Å; E649-G651 PolarHBondContact O-N 3.45Å; E649-P677 HydrophobicContact CG-CG 4.27Å; E649-P677 WeakPolarHBondContact O-CA 3.49Å
650N90.7Very high88.9Confident74 Ų7423.7 Ų23.740%0.39613%0.134SC..THydrogen-bonded Turntrans-79.68.9179.268.2-9.4000113.8A623 L648 V652 Y672A623-N650 HydrophobicContact CB-CB 4.36Å; L648-N650 VanDerWaalsContact C-N 3.28Å; L648-N650 VanDerWaalsContact CB-OD1 3.25Å; L648-N650 WeakPolarHBondContact CB-OD1 3.35Å; L648-N650 PolarHBondContact O-N 3.36Å; N650-V652 WeakPolarHBondContact OD1-CB 3.39Å; N650-V652 WeakPolarHBondContact OD1-CG2 3.29Å; N650-V652 PolarHBondContact OD1-N 2.85Å; N650-Y672 WeakPolarHBondContact O-CE2 3.42Å
651G90.1Very high90Very high0 Ų027 Ų270%015%0.148CC..SBendtrans84.211.117800000115.6L648 E649 L673 G674 R676 V678L648-G651 PolarHBondContact O-N 3.28Å; L648-G651 VanDerWaalsContact O-N 3.16Å; E649-G651 PolarHBondContact O-N 3.45Å; G651-L673 PolarHBondContact O-N 2.84Å; G651-G674 VanDerWaalsContact CA-O 3.29Å; G651-G674 WeakPolarHBondContact CA-O 3.3Å; G651-R676 VanDerWaalsContact CA-O 3.25Å; G651-R676 WeakPolarHBondContact CA-O 3.3Å; G651-V678 WeakPolarHBondContact O-CG2 2.97Å
652V91.7Very high90.4Very high18 Ų1827.6 Ų27.611%0.10915%0.15CC..EExtended strand (participates in β ladder)trans-90.8135.5175.3175.50000110.9L648 N650 L654 T670 R671 Y672L648-V652 HydrophobicContact CB-CB 4.33Å; L648-V652 VanDerWaalsContact CB-O 3.31Å; L648-V652 WeakPolarHBondContact CB-O 3.39Å; L648-V652 HydrophobicContact CD1-CB 4.04Å; L648-V652 HydrophobicContact CD1-CG1 4.16Å; L648-V652 HydrophobicContact CG-CB 4.39Å; L648-V652 WeakPolarHBondContact CG-O 3.43Å; L648-V652 PolarHBondContact N-O 3.29Å; N650-V652 WeakPolarHBondContact OD1-CB 3.39Å; N650-V652 WeakPolarHBondContact OD1-CG2 3.29Å; N650-V652 PolarHBondContact OD1-N 2.85Å; V652-L654 HydrophobicContact CG1-CD2 4.21Å; V652-L654 HydrophobicContact CG1-CG 4.44Å; V652-T670 HydrophobicContact CG1-CG2 3.46Å; V652-T670 VanDerWaalsContact CG1-CG2 3.46Å; V652-R671 CarbonylContact C-O 3.55Å; V652-R671 WeakPolarHBondContact CA-O 3.49Å; V652-Y672 HydrophobicContact CG2-CD2 3.99Å
653L93Very high90.3Very high7 Ų726.5 Ų26.54%0.03714%0.144CC..EExtended strand (participates in β ladder)trans-100.3129.8167.217761.7000109.7N645 R671 L673 L680 A693 L710N645-L653 HydrophobicContact CB-CD1 4.28Å; L653-R671 PolarHBondContact N-O 3.34Å; L653-R671 PolarHBondContact O-N 2.83Å; L653-L673 HydrophobicContact CB-CD1 3.74Å; L653-L673 HydrophobicContact CB-CD2 4.43Å; L653-L673 HydrophobicContact CB-CG 3.95Å; L653-L673 HydrophobicContact CD2-CD1 4.08Å; L653-L673 HydrophobicContact CG-CD1 4.49Å; L653-L680 HydrophobicContact CD1-CD1 4.1Å; L653-L680 HydrophobicContact CD1-CD2 3.71Å; L653-L680 HydrophobicContact CD1-CG 4.45Å; L653-A693 HydrophobicContact CD2-CB 4.2Å; L653-L710 HydrophobicContact CD2-CD1 4.25Å; L653-L710 HydrophobicContact CD2-CD2 4.25Å
654L92.4Very high90.3Very high7 Ų728.8 Ų28.84%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-109.7129.2169.8-61.4173.8000109.1L621 N645 A646 L648 V652 T668 R669 T670L621-L654 HydrophobicContact CD2-CD1 3.77Å; N645-L654 CarbonylContact C-O 3.6Å; N645-L654 VanDerWaalsContact CA-O 3.29Å; N645-L654 WeakPolarHBondContact CA-O 3.2Å; A646-L654 HydrophobicContact CB-CB 4.32Å; A646-L654 PolarHBondContact N-O 3.49Å; A646-L654 PolarHBondContact O-N 3.27Å; L648-L654 HydrophobicContact CD1-CD1 3.93Å; L648-L654 HydrophobicContact CD1-CG 4.24Å; L648-L654 HydrophobicContact CD2-CD1 4.3Å; L648-L654 HydrophobicContact CG-CD1 4.36Å; V652-L654 HydrophobicContact CG1-CD2 4.21Å; V652-L654 HydrophobicContact CG1-CG 4.44Å; L654-T668 HydrophobicContact CB-CG2 4.17Å; L654-T668 HydrophobicContact CD2-CG2 3.86Å; L654-T668 HydrophobicContact CG-CG2 4.48Å; L654-R669 CarbonylContact C-O 3.52Å; L654-R669 WeakPolarHBondContact CA-O 3.48Å; L654-T670 HydrophobicContact CD2-CG2 3.71Å; L654-T670 WeakPolarHBondContact CD2-OG1 3.45Å
655R90.4Very high90.1Very high15 Ų1529.1 Ų29.16%0.05716%0.157CC..EExtended strand (participates in β ladder)trans-115.9123.3170.5175.4-177.1169.7-144.20.1108.4F643 N645 T668 R669 Y708F643-R655 HydrophobicContact CB-CG 4.4Å; F643-R655 HydrophobicContact CD1-CG 4.14Å; F643-R655 VanDerWaalsContact CD1-NE 3.29Å; N645-R655 WeakPolarHBondContact OD1-CG 3.28Å; R655-T668 CarbonylContact O-C 3.58Å; R655-T668 VanDerWaalsContact O-CA 3.32Å; R655-T668 WeakPolarHBondContact O-CA 3.16Å; R655-R669 PolarHBondContact N-O 3.1Å; R655-R669 PolarHBondContact O-N 3.26Å; R655-Y708 VanDerWaalsContact NH1-CG 3.32Å; R655-Y708 VanDerWaalsContact NH2-CD1 3.33Å; R655-Y708 VanDerWaalsContact NH2-CD2 3.28Å
656T90.7Very high89.7Confident4 Ų435.9 Ų35.93%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-128.2137.7-177.7-48.50000109.5F643 L644 L658 L665 R666 T668F643-T656 CarbonylContact C-O 3.55Å; F643-T656 WeakPolarHBondContact CA-O 3.25Å; L644-T656 PolarHBondContact N-O 2.88Å; L644-T656 PolarHBondContact O-N 3.41Å; T656-L658 PolarHBondContact O-N 3.44Å; T656-L665 HydrophobicContact CG2-CB 3.63Å; T656-L665 HydrophobicContact CG2-CD2 4.25Å; T656-L665 HydrophobicContact CG2-CG 4.48Å; T656-R666 WeakPolarHBondContact CG2-O 3.14Å; T656-T668 VanDerWaalsContact CG2-OG1 3.24Å; T656-T668 WeakPolarHBondContact CG2-OG1 3.33Å; T656-T668 PolarHBondContact OG1-OG1 2.93Å
657V88.6Confident88.9Confident43 Ų4338 Ų3826%0.26119%0.194SC..EExtended strand (participates in β ladder)trans-69.2125172.4-177.90000108.2F643 L665 R666 D667F643-V657 HydrophobicContact CD1-CG2 4.07Å; F643-V657 HydrophobicContact CE1-CG2 3.63Å; V657-L665 WeakPolarHBondContact O-CA 3.34Å; V657-R666 WeakPolarHBondContact CA-O 3.35Å; V657-R666 WeakPolarHBondContact CB-O 3.47Å; V657-R666 PolarHBondContact N-O 3.4Å; V657-R666 PolarHBondContact O-N 3.09Å; V657-D667 HydrophobicContact CG2-CB 4.04Å
658L89.7Confident88.4Confident2 Ų239.8 Ų39.81%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-97.3117.3172.8178.167.9000108.2F592 I604 I630 L642 T656 N660 L665F592-L658 HydrophobicContact CB-CD2 4.05Å; F592-L658 HydrophobicContact CD2-CD2 3.97Å; F592-L658 HydrophobicContact CG-CD2 4.09Å; I604-L658 HydrophobicContact CD1-CD1 4.22Å; I604-L658 HydrophobicContact CG1-CD1 4.15Å; I604-L658 HydrophobicContact CG2-CD1 4.33Å; I630-L658 HydrophobicContact CG2-CD2 4.44Å; L642-L658 HydrophobicContact CB-CB 4.04Å; L642-L658 HydrophobicContact CB-CD2 4.2Å; L642-L658 HydrophobicContact CB-CG 4.43Å; L642-L658 HydrophobicContact CD1-CD2 4.28Å; L642-L658 PolarHBondContact O-N 2.96Å; T656-L658 PolarHBondContact O-N 3.44Å; L658-N660 PolarHBondContact O-N 3.03Å; L658-L665 HydrophobicContact CB-CD2 4.23Å; L658-L665 HydrophobicContact CD1-CD2 3.67Å
659D86.9Confident87.9Confident45 Ų4541.9 Ų41.924%0.24121%0.212CC..PPolyproline II helixtrans-66.2122.3174.9178.92.4000110.5V661 T662 G663 E664D659-V661 PolarHBondContact O-N 2.7Å; D659-V661 VanDerWaalsContact O-N 3.09Å; D659-V661 PolarHBondContact OD1-N 2.85Å; D659-T662 WeakPolarHBondContact CB-OG1 3.18Å; D659-T662 VanDerWaalsContact CG-OG1 3.26Å; D659-T662 WeakPolarHBondContact OD2-CB 3.27Å; D659-T662 WeakPolarHBondContact OD2-CG2 3.4Å; D659-T662 PolarHBondContact OD2-N 2.8Å; D659-T662 PolarHBondContact OD2-OG1 3.24Å; D659-G663 WeakPolarHBondContact O-CA 3.35Å; D659-G663 PolarHBondContact O-N 2.99Å; D659-E664 PolarHBondContact N-O 2.98Å
660N82.9Confident87.5Confident58 Ų5841.2 Ų41.231%0.3122%0.215SC..THydrogen-bonded Turntrans-59.3-21-179.8-68.2-6.1000113.1F592 G640 L642 L658F592-N660 WeakPolarHBondContact CE2-O 3.46Å; F592-N660 VanDerWaalsContact CZ-O 3.3Å; F592-N660 WeakPolarHBondContact CZ-O 3.32Å; G640-N660 PolarHBondContact O-ND2 2.83Å; L642-N660 WeakPolarHBondContact CB-OD1 3.44Å; L642-N660 VanDerWaalsContact CD1-OD1 3.27Å; L642-N660 WeakPolarHBondContact CD1-OD1 3.28Å; L642-N660 VanDerWaalsContact CG-OD1 3.24Å; L642-N660 WeakPolarHBondContact CG-OD1 3.41Å; L658-N660 PolarHBondContact O-N 3.03Å
661V83.4Confident87.2Confident99 Ų9939.2 Ų39.260%0.620%0.202SC*.THydrogen-bonded Turntrans-102.2-52-177.6-176.90000112.5R591 D659R591-V661 PolarHBondContact NH1-O 3.45Å; R591-V661 PolarHBondContact NH2-O 2.58Å; D659-V661 PolarHBondContact O-N 2.7Å; D659-V661 VanDerWaalsContact O-N 3.09Å; D659-V661 PolarHBondContact OD1-N 2.85Å
662T85.3Confident87.1Confident56 Ų5645.1 Ų45.134%0.34423%0.225SC..THydrogen-bonded Turntrans-90.8-22.3-172.863.40000113.4D659 E664D659-T662 WeakPolarHBondContact CB-OG1 3.18Å; D659-T662 VanDerWaalsContact CG-OG1 3.26Å; D659-T662 WeakPolarHBondContact OD2-CB 3.27Å; D659-T662 WeakPolarHBondContact OD2-CG2 3.4Å; D659-T662 PolarHBondContact OD2-N 2.8Å; D659-T662 PolarHBondContact OD2-OG1 3.24Å; T662-E664 PolarHBondContact O-N 2.92Å; T662-E664 WeakPolarHBondContact OG1-CB 3.37Å; T662-E664 WeakPolarHBondContact OG1-CG 3.36Å; T662-E664 PolarHBondContact OG1-N 3.11Å; T662-E664 VanDerWaalsContact OG1-N 3.14Å
663G84Confident86.8Confident0 Ų044.4 Ų44.40%022%0.221CC..  trans71.310.8-16800000113.6Y617 D659Y617-G663 WeakPolarHBondContact CB-O 3.23Å; D659-G663 WeakPolarHBondContact O-CA 3.35Å; D659-G663 PolarHBondContact O-N 2.99Å
664E89.7Confident86.3Confident67 Ų6744.3 Ų44.331%0.31322%0.221SC..  trans-66.9143.2172.5-72.6-174.8177.200111.1Y617 D659 T662 R666Y617-E664 HydrophobicContact CD2-CB 4.22Å; Y617-E664 HydrophobicContact CD2-CG 3.77Å; Y617-E664 HydrophobicContact CE2-CB 4.26Å; Y617-E664 HydrophobicContact CE2-CG 3.89Å; D659-E664 PolarHBondContact N-O 2.98Å; T662-E664 PolarHBondContact O-N 2.92Å; T662-E664 WeakPolarHBondContact OG1-CB 3.37Å; T662-E664 WeakPolarHBondContact OG1-CG 3.36Å; T662-E664 PolarHBondContact OG1-N 3.11Å; T662-E664 VanDerWaalsContact OG1-N 3.14Å; E664-R666 IonicContact OE2-CZ 3.3Å; E664-R666 IonicContact OE2-NE 2.75Å; E664-R666 PolarHBondContact OE2-NE 3.24Å; E664-R666 VanDerWaalsContact OE2-NE 3.11Å; E664-R666 IonicContact OE2-NH2 2.87Å; E664-R666 PolarHBondContact OE2-NH2 3.48Å
665L88.5Confident86.1Confident9 Ų948.9 Ų48.95%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-99.6114.8178.1-66.6177.2000109.3I604 Y617 Q619 L644 T656 V657 L658I604-L665 HydrophobicContact CD1-CD1 4.22Å; I604-L665 HydrophobicContact CD1-CD2 4.27Å; I604-L665 HydrophobicContact CD1-CG 4.49Å; I604-L665 HydrophobicContact CG1-CD1 4.06Å; I604-L665 HydrophobicContact CG1-CD2 4.32Å; I604-L665 HydrophobicContact CG1-CG 4.12Å; Y617-L665 HydrophobicContact CD1-CB 3.92Å; Y617-L665 HydrophobicContact CD1-CD1 4.07Å; Y617-L665 HydrophobicContact CD1-CG 3.92Å; Y617-L665 HydrophobicContact CE1-CB 3.79Å; Y617-L665 HydrophobicContact CE1-CD1 4.48Å; Y617-L665 HydrophobicContact CE1-CG 4.3Å; Q619-L665 HydrophobicContact CB-CD1 3.92Å; Q619-L665 VanDerWaalsContact OE1-CD1 3.23Å; L644-L665 HydrophobicContact CB-CD2 4.06Å; L644-L665 HydrophobicContact CD2-CD1 3.79Å; L644-L665 HydrophobicContact CD2-CD2 3.71Å; L644-L665 HydrophobicContact CD2-CG 4.44Å; T656-L665 HydrophobicContact CG2-CB 3.63Å; T656-L665 HydrophobicContact CG2-CD2 4.25Å; T656-L665 HydrophobicContact CG2-CG 4.48Å; V657-L665 WeakPolarHBondContact O-CA 3.34Å; L658-L665 HydrophobicContact CB-CD2 4.23Å; L658-L665 HydrophobicContact CD1-CD2 3.67Å
666R85.9Confident86.1Confident144 Ų14453.3 Ų53.354%0.54327%0.266SS..EExtended strand (participates in β ladder)trans-127.1161.1-177.3-60.8-177.6-177.61792.4111.5T656 V657 E664T656-R666 WeakPolarHBondContact CG2-O 3.14Å; V657-R666 WeakPolarHBondContact CA-O 3.35Å; V657-R666 WeakPolarHBondContact CB-O 3.47Å; V657-R666 PolarHBondContact N-O 3.4Å; V657-R666 PolarHBondContact O-N 3.09Å; E664-R666 IonicContact OE2-CZ 3.3Å; E664-R666 IonicContact OE2-NE 2.75Å; E664-R666 PolarHBondContact OE2-NE 3.24Å; E664-R666 VanDerWaalsContact OE2-NE 3.11Å; E664-R666 IonicContact OE2-NH2 2.87Å; E664-R666 PolarHBondContact OE2-NH2 3.48Å
667D79Confident86.2Confident49 Ų4956 Ų5626%0.26228%0.284SS..EExtended strand (participates in β ladder)trans48.862.5179-169.123.9000114.8V657 R669 K1184V657-D667 HydrophobicContact CG2-CB 4.04Å; D667-R669 PolarHBondContact O-N 3.2Å; D667-R669 IonicContact OD2-NE 3.35Å; D667-R669 IonicContact OD2-NH2 3.96Å; D667-K1184 VanDerWaalsContact OD1-CD 3.31Å; D667-K1184 WeakPolarHBondContact OD1-CD 3.28Å; D667-K1184 WeakPolarHBondContact OD1-CE 3.5Å; D667-K1184 IonicContact OD1-NZ 3.2Å; D667-K1184 PolarHBondContact OD1-NZ 2.77Å
668T84.9Confident86.5Confident36 Ų3654 Ų5422%0.22127%0.272CS..EExtended strand (participates in β ladder)trans-71.4124.5173.3-56.90000110.9Q619 L654 R655 T656 K1184Q619-T668 PolarHBondContact NE2-OG1 3.23Å; Q619-T668 VanDerWaalsContact NE2-OG1 3.13Å; L654-T668 HydrophobicContact CB-CG2 4.17Å; L654-T668 HydrophobicContact CD2-CG2 3.86Å; L654-T668 HydrophobicContact CG-CG2 4.48Å; R655-T668 CarbonylContact O-C 3.58Å; R655-T668 VanDerWaalsContact O-CA 3.32Å; R655-T668 WeakPolarHBondContact O-CA 3.16Å; T656-T668 VanDerWaalsContact CG2-OG1 3.24Å; T656-T668 WeakPolarHBondContact CG2-OG1 3.33Å; T656-T668 PolarHBondContact OG1-OG1 2.93Å; T668-K1184 PolarHBondContact O-NZ 3.18Å
669R83.9Confident86.7Confident45 Ų4557.6 Ų57.617%0.1729%0.287CS..EExtended strand (participates in β ladder)trans-104.4134.4169-59.4-176.3-175.3-172.5-5109.1L654 R655 D667 E1187L654-R669 CarbonylContact C-O 3.52Å; L654-R669 WeakPolarHBondContact CA-O 3.48Å; R655-R669 PolarHBondContact N-O 3.1Å; R655-R669 PolarHBondContact O-N 3.26Å; D667-R669 PolarHBondContact O-N 3.2Å; D667-R669 IonicContact OD2-NE 3.35Å; D667-R669 IonicContact OD2-NH2 3.96Å; R669-E1187 IonicContact CZ-OE1 2.7Å; R669-E1187 IonicContact CZ-OE2 3.54Å; R669-E1187 VanDerWaalsContact CZ-OE2 3.32Å; R669-E1187 IonicContact NE-OE2 3.29Å; R669-E1187 IonicContact NH1-OE1 3.45Å; R669-E1187 PolarHBondContact NH1-OE1 2.88Å; R669-E1187 IonicContact NH1-OE2 2.66Å; R669-E1187 PolarHBondContact NH1-OE2 2.93Å; R669-E1187 IonicContact NH2-OE1 3.43Å
670T85.7Confident87.1Confident87 Ų8756.2 Ų56.253%0.53428%0.28SS..EExtended strand (participates in β ladder)trans-118.9130.6-173.9-56.60000109.9V652 L654V652-T670 HydrophobicContact CG1-CG2 3.46Å; V652-T670 VanDerWaalsContact CG1-CG2 3.46Å; L654-T670 HydrophobicContact CD2-CG2 3.71Å; L654-T670 WeakPolarHBondContact CD2-OG1 3.45Å
671R85.6Confident87.6Confident33 Ų3355.6 Ų55.613%0.12527%0.274CS..EExtended strand (participates in β ladder)trans-140.9131.6176.3-171.3143173.1-166.316.1111.7V652 L653 L673 W699 L710 T1191 F1195V652-R671 CarbonylContact C-O 3.55Å; V652-R671 WeakPolarHBondContact CA-O 3.49Å; L653-R671 PolarHBondContact N-O 3.34Å; L653-R671 PolarHBondContact O-N 2.83Å; R671-L673 HydrophobicContact CB-CD2 4.47Å; R671-L673 HydrophobicContact CG-CD2 4Å; R671-W699 VanDerWaalsContact NH2-CZ3 3.3Å; R671-L710 HydrophobicContact CB-CD2 4.18Å; R671-L710 VanDerWaalsContact CD-CD2 3.41Å; R671-L710 HydrophobicContact CG-CD2 3.9Å; R671-L710 PolarHBondContact NH1-O 2.94Å; R671-T1191 HydrophobicContact CG-CG2 4.32Å; R671-F1195 PolarHBondContact NH2-OXT 3.38Å
672Y86.1Confident88Confident123 Ų12353.8 Ų53.848%0.48226%0.258SS..EExtended strand (participates in β ladder)trans-83122.4172.5-179.4-101.7000109.6N650 V652 G674 T675N650-Y672 WeakPolarHBondContact O-CE2 3.42Å; V652-Y672 HydrophobicContact CG2-CD2 3.99Å; Y672-G674 WeakPolarHBondContact CE2-O 3.5Å; Y672-G674 VanDerWaalsContact CZ-C 3.47Å; Y672-G674 PolarHBondContact OH-O 2.9Å; Y672-T675 WeakPolarHBondContact OH-CG2 3.2Å
673L85.8Confident88.3Confident4 Ų451.2 Ų51.22%0.02124%0.243CC..  trans-101-25-175.5-60.3-170.4000113.5G651 L653 R671 V678 A693 W699 L710G651-L673 PolarHBondContact O-N 2.84Å; L653-L673 HydrophobicContact CB-CD1 3.74Å; L653-L673 HydrophobicContact CB-CD2 4.43Å; L653-L673 HydrophobicContact CB-CG 3.95Å; L653-L673 HydrophobicContact CD2-CD1 4.08Å; L653-L673 HydrophobicContact CG-CD1 4.49Å; R671-L673 HydrophobicContact CB-CD2 4.47Å; R671-L673 HydrophobicContact CG-CD2 4Å; L673-V678 HydrophobicContact CB-CG2 4.41Å; L673-V678 HydrophobicContact CD1-CG1 3.82Å; L673-V678 HydrophobicContact CD1-CG2 4.11Å; L673-V678 HydrophobicContact CG-CG2 4.49Å; L673-A693 HydrophobicContact CD1-CB 3.53Å; L673-W699 HydrophobicContact CD1-CB 4.42Å; L673-W699 HydrophobicContact CD1-CG 4.31Å; L673-W699 HydrophobicContact CD2-CB 4.33Å; L673-W699 HydrophobicContact CD2-CD2 3.76Å; L673-W699 HydrophobicContact CD2-CE3 4.32Å; L673-W699 HydrophobicContact CD2-CG 3.77Å; L673-W699 HydrophobicContact CG-CG 4.42Å; L673-W699 PolarHBondContact O-NE1 2.84Å; L673-L710 HydrophobicContact CD2-CD2 3.85Å
674G83.7Confident88.4Confident4 Ų456 Ų564%0.04126%0.263CS..  trans167.4-178.3-172.300000113.5G651 Y672 S695 S696G651-G674 VanDerWaalsContact CA-O 3.29Å; G651-G674 WeakPolarHBondContact CA-O 3.3Å; Y672-G674 WeakPolarHBondContact CE2-O 3.5Å; Y672-G674 VanDerWaalsContact CZ-C 3.47Å; Y672-G674 PolarHBondContact OH-O 2.9Å; G674-S695 WeakPolarHBondContact CA-OG 3.42Å; G674-S696 WeakPolarHBondContact CA-OG 3.3Å
675T86.5Confident88.2Confident103 Ų10353.4 Ų53.463%0.63225%0.252SS*.SBendtrans-85.1-13.9-179510000113.9Y672Y672-T675 WeakPolarHBondContact OH-CG2 3.2Å
676R90.5Very high87.8Confident109 Ų10957.7 Ų57.741%0.41127%0.272SS..SBendtrans-94.7155.1179.6-67.8-157.8-176.2177.5-2111.9G651 V678 S695 Q717 E719G651-R676 VanDerWaalsContact CA-O 3.25Å; G651-R676 WeakPolarHBondContact CA-O 3.3Å; R676-V678 PolarHBondContact O-N 2.79Å; R676-S695 PolarHBondContact O-OG 3.32Å; R676-Q717 VanDerWaalsContact NE-NE2 3.11Å; R676-Q717 VanDerWaalsContact NH1-OE1 3.15Å; R676-E719 IonicContact NH1-OE1 3.47Å; R676-E719 PolarHBondContact NH1-OE1 2.86Å; R676-E719 VanDerWaalsContact NH1-OE1 3.12Å
677P93.8Very high87.4Confident61 Ų6159.1 Ų59.140%0.39628%0.284SS..PPolyproline II helixtrans-51.3137.9171.5-28.335.8000112.8T626 E649T626-P677 HydrophobicContact CG2-CB 4.2Å; E649-P677 HydrophobicContact CG-CG 4.27Å; E649-P677 WeakPolarHBondContact O-CA 3.49Å
678V95.1Very high87.7Confident0 Ų060 Ų600%029%0.287CS..PPolyproline II helixtrans-83.7120.4-179-1760000110.5T626 S627 L648 G651 L673 R676 L680 A693 I694T626-V678 PolarHBondContact OG1-O 3.07Å; S627-V678 PolarHBondContact OG-O 3.47Å; L648-V678 PolarHBondContact O-N 2.86Å; L648-V678 VanDerWaalsContact O-N 3.12Å; G651-V678 WeakPolarHBondContact O-CG2 2.97Å; L673-V678 HydrophobicContact CB-CG2 4.41Å; L673-V678 HydrophobicContact CD1-CG1 3.82Å; L673-V678 HydrophobicContact CD1-CG2 4.11Å; L673-V678 HydrophobicContact CG-CG2 4.49Å; R676-V678 PolarHBondContact O-N 2.79Å; V678-L680 HydrophobicContact CG1-CD2 4.18Å; V678-L680 HydrophobicContact CG1-CG 4.39Å; V678-A693 HydrophobicContact CG1-CB 4.01Å; V678-I694 CarbonylContact C-O 3.6Å; V678-I694 WeakPolarHBondContact CA-O 3.49Å
679K94.6Very high87.8Confident77 Ų7760.5 Ų60.534%0.33529%0.29SS..EExtended strand (participates in β ladder)trans-99.8135.3169.7-61.2173.5179.6172.30109.7S627 F681 A693 I694 E719S627-K679 WeakPolarHBondContact OG-CA 3.5Å; K679-F681 HydrophobicContact CB-CE2 3.62Å; K679-F681 HydrophobicContact CB-CZ 3.94Å; K679-F681 HydrophobicContact CD-CZ 4.38Å; K679-A693 CarbonylContact O-C 3.55Å; K679-A693 WeakPolarHBondContact O-CA 3.38Å; K679-I694 HydrophobicContact CB-CB 4.43Å; K679-I694 PolarHBondContact N-O 2.85Å; K679-I694 PolarHBondContact O-N 3.1Å; K679-E719 VanDerWaalsContact CD-O 3.32Å; K679-E719 WeakPolarHBondContact CD-O 3.25Å; K679-E719 PolarHBondContact NZ-O 3.36Å; K679-E719 IonicContact NZ-OE2 3.96Å; K679-E719 PolarHBondContact NZ-OE2 2.92Å
680L95.1Very high88.1Confident17 Ų1758.5 Ų58.59%0.08928%0.283CS..EExtended strand (participates in β ladder)trans-114.1132.8-177.2-65.9168.4000111.5S627 C629 N645 L653 V678 V691 A693S627-L680 WeakPolarHBondContact OG-CG 3.26Å; S627-L680 PolarHBondContact OG-N 2.69Å; S627-L680 VanDerWaalsContact OG-N 3.08Å; C629-L680 HydrophobicContact CB-CB 3.79Å; C629-L680 HydrophobicContact CB-CD1 4.1Å; N645-L680 HydrophobicContact CB-CD1 3.85Å; N645-L680 VanDerWaalsContact O-CD1 3.28Å; N645-L680 WeakPolarHBondContact O-CD1 2.99Å; L653-L680 HydrophobicContact CD1-CD1 4.1Å; L653-L680 HydrophobicContact CD1-CD2 3.71Å; L653-L680 HydrophobicContact CD1-CG 4.45Å; V678-L680 HydrophobicContact CG1-CD2 4.18Å; V678-L680 HydrophobicContact CG1-CG 4.39Å; L680-V691 HydrophobicContact CB-CG1 4.46Å; L680-V691 HydrophobicContact CD2-CG1 3.82Å; L680-A693 HydrophobicContact CD2-CB 3.58Å
681F93.5Very high88.4Confident44 Ų4454.5 Ų54.519%0.19326%0.258CS..EExtended strand (participates in β ladder)trans-129.8139.9178.6-56.5-81.5000110.2K679 V691 L692 I694 A721K679-F681 HydrophobicContact CB-CE2 3.62Å; K679-F681 HydrophobicContact CB-CZ 3.94Å; K679-F681 HydrophobicContact CD-CZ 4.38Å; F681-V691 WeakPolarHBondContact O-CA 3.36Å; F681-L692 HydrophobicContact CB-CB 4.38Å; F681-L692 PolarHBondContact N-O 3.39Å; F681-L692 PolarHBondContact O-N 3.46Å; F681-I694 HydrophobicContact CD2-CD1 3.62Å; F681-I694 HydrophobicContact CD2-CG1 3.98Å; F681-I694 HydrophobicContact CE2-CB 4.35Å; F681-I694 HydrophobicContact CE2-CD1 3.46Å; F681-I694 VanDerWaalsContact CE2-CD1 3.46Å; F681-I694 HydrophobicContact CE2-CG1 3.96Å; F681-A721 HydrophobicContact CB-CB 4.45Å; F681-A721 WeakPolarHBondContact CD1-O 3.4Å; F681-A721 HydrophobicContact CD2-CB 4.26Å; F681-A721 HydrophobicContact CG-CB 4.25Å
682K91.2Very high88.8Confident62 Ų6253 Ų5327%0.2725%0.253SS..EExtended strand (participates in β ladder)trans-83.4133.7172-64.1-174.3-162.9-172.50108.8L580 C629 I630L580-K682 PolarHBondContact O-NZ 2.81Å; C629-K682 WeakPolarHBondContact SG-CG 3.39Å; I630-K682 WeakPolarHBondContact O-CE 3.5Å; I630-K682 PolarHBondContact O-NZ 2.72Å
683V90.5Very high89.2Confident2 Ų247.2 Ų47.21%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-138.3154.2-179.9-58.80000110.5A690 L692 L700 F733V683-A690 HydrophobicContact CG2-CB 3.86Å; V683-A690 PolarHBondContact N-O 3.49Å; V683-A690 PolarHBondContact O-N 3Å; V683-A690 VanDerWaalsContact O-O 3.08Å; V683-L692 HydrophobicContact CG1-CB 3.85Å; V683-L692 HydrophobicContact CG1-CD2 4.26Å; V683-L692 HydrophobicContact CG2-CB 4.22Å; V683-L700 HydrophobicContact CG2-CD1 3.77Å; V683-F733 HydrophobicContact CB-CD1 3.53Å; V683-F733 HydrophobicContact CB-CE1 3.33Å; V683-F733 HydrophobicContact CB-CZ 4.2Å; V683-F733 HydrophobicContact CG1-CD1 3.7Å; V683-F733 HydrophobicContact CG1-CE1 4.04Å; V683-F733 HydrophobicContact CG1-CG 4.46Å; V683-F733 HydrophobicContact CG2-CD1 4.21Å; V683-F733 HydrophobicContact CG2-CE1 3.7Å; V683-F733 HydrophobicContact CG2-CZ 4.06Å
684K87.8Confident89.6Confident100 Ų10047.2 Ų47.244%0.43523%0.23SC..EExtended strand (participates in β ladder)trans-101.6135.4178.1-72.3-170.8176.8-172.20110.7Q688 F733K684-Q688 WeakPolarHBondContact CA-O 3.43Å; K684-F733 VanDerWaalsContact O-CE1 3.23Å; K684-F733 WeakPolarHBondContact O-CE1 3.18Å
685L84.2Confident90Very high13 Ų1347.2 Ų47.27%0.06823%0.229CC..EExtended strand (participates in β ladder)trans-151.5124.2-178.5-170.778.6000109.2E687 Q688 A690 L700 Y702 F733 I746 L749L685-E687 PolarHBondContact O-N 2.85Å; L685-Q688 PolarHBondContact N-O 3.4Å; L685-Q688 PolarHBondContact O-N 3.06Å; L685-A690 HydrophobicContact CB-CB 4.18Å; L685-L700 HydrophobicContact CD2-CD2 3.81Å; L685-Y702 HydrophobicContact CD2-CD2 4.31Å; L685-Y702 HydrophobicContact CD2-CG 4.07Å; L685-F733 HydrophobicContact CD1-CZ 4.02Å; L685-I746 HydrophobicContact CD1-CB 4.47Å; L685-L749 HydrophobicContact CD1-CD1 4.19Å; L685-L749 HydrophobicContact CD1-CD2 4.46Å; L685-L749 HydrophobicContact CD2-CD1 3.74Å; L685-L749 HydrophobicContact CD2-CD2 3.37Å; L685-L749 HydrophobicContact CD2-CG 4.15Å; L685-L749 HydrophobicContact CG-CD1 3.84Å; L685-L749 HydrophobicContact CG-CD2 4.28Å
686Q79.6Confident90Very high99 Ų9943.7 Ų43.746%0.46321%0.209SC..THydrogen-bonded Turntrans5144.1-173-59.3-172.1-34.500112.1Q688 E731 L749Q686-Q688 PolarHBondContact O-N 2.68Å; Q686-E731 WeakPolarHBondContact CA-OE2 3.31Å; Q686-E731 PolarHBondContact N-OE2 3.4Å; Q686-L749 HydrophobicContact CG-CD1 3.76Å
687E78.9Confident89.8Confident174 Ų17441.4 Ų41.481%0.81320%0.2SC*.THydrogen-bonded Turntrans60.7-3.4-173.2-54.4-174.2165.200115.8L685 E731L685-E687 PolarHBondContact O-N 2.85Å; E687-E731 PolarHBondContact N-OE1 2.73Å
688Q83.9Confident89.7Confident67 Ų6738.6 Ų38.631%0.31318%0.183SC..EExtended strand (participates in β ladder)trans-93.9155.2178.4-62.8-172.12.400111.8K684 L685 Q686 A690K684-Q688 WeakPolarHBondContact CA-O 3.43Å; L685-Q688 PolarHBondContact N-O 3.4Å; L685-Q688 PolarHBondContact O-N 3.06Å; Q686-Q688 PolarHBondContact O-N 2.68Å; Q688-A690 PolarHBondContact O-N 2.92Å
689T87Confident89.5Confident46 Ų4639.1 Ų39.128%0.28219%0.185SC..EExtended strand (participates in β ladder)trans-80.7119.3174.6-58.60000110A631A631-T689 HydrophobicContact CB-CG2 4.21Å
690A90.7Very high89.4Confident3 Ų335.5 Ų35.53%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-110.9162.9172.100000110.8V683 L685 Q688 L700 L701V683-A690 HydrophobicContact CG2-CB 3.86Å; V683-A690 PolarHBondContact N-O 3.49Å; V683-A690 PolarHBondContact O-N 3Å; V683-A690 VanDerWaalsContact O-O 3.08Å; L685-A690 HydrophobicContact CB-CB 4.18Å; Q688-A690 PolarHBondContact O-N 2.92Å; A690-L700 HydrophobicContact CB-CD1 4.2Å; A690-L701 CarbonylContact C-O 3.57Å; A690-L701 WeakPolarHBondContact CA-O 3.34Å; A690-L701 WeakPolarHBondContact CB-O 3.44Å
691V93Very high89.2Confident3 Ų335.5 Ų35.52%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-119.5118.1179.5-176.80000109.7C629 A631 L680 F681 L701C629-V691 HydrophobicContact CB-CG1 4.42Å; A631-V691 HydrophobicContact CB-CG2 3.67Å; L680-V691 HydrophobicContact CB-CG1 4.46Å; L680-V691 HydrophobicContact CD2-CG1 3.82Å; F681-V691 WeakPolarHBondContact O-CA 3.36Å; V691-L701 HydrophobicContact CB-CB 4.16Å; V691-L701 HydrophobicContact CB-CD2 4.31Å; V691-L701 PolarHBondContact N-O 3.26Å; V691-L701 WeakPolarHBondContact O-CB 3.44Å; V691-L701 PolarHBondContact O-N 3.16Å
692L94.3Very high88.9Confident3 Ų333.8 Ų33.82%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-91.9115174.2178.963.8000109.5F681 V683 I694 W699 L700 I713 A721F681-L692 HydrophobicContact CB-CB 4.38Å; F681-L692 PolarHBondContact N-O 3.39Å; F681-L692 PolarHBondContact O-N 3.46Å; V683-L692 HydrophobicContact CG1-CB 3.85Å; V683-L692 HydrophobicContact CG1-CD2 4.26Å; V683-L692 HydrophobicContact CG2-CB 4.22Å; L692-I694 HydrophobicContact CD2-CD1 4.28Å; L692-I694 HydrophobicContact CD2-CG1 4.48Å; L692-I694 HydrophobicContact CG-CD1 4.42Å; L692-I694 HydrophobicContact CG-CG1 4.09Å; L692-W699 CarbonylContact C-O 3.58Å; L692-W699 WeakPolarHBondContact CA-O 3.49Å; L692-L700 HydrophobicContact CB-CD1 4.35Å; L692-L700 HydrophobicContact CD1-CD1 4.41Å; L692-I713 HydrophobicContact CD1-CD1 3.37Å; L692-A721 HydrophobicContact CD2-CB 3.37Å
693A94.5Very high88.4Confident0 Ų032.5 Ų32.50%016%0.156CC..EExtended strand (participates in β ladder)trans-104.5115.7178.200000110.7L653 L673 V678 K679 L680 S698 W699L653-A693 HydrophobicContact CD2-CB 4.2Å; L673-A693 HydrophobicContact CD1-CB 3.53Å; V678-A693 HydrophobicContact CG1-CB 4.01Å; K679-A693 CarbonylContact O-C 3.55Å; K679-A693 WeakPolarHBondContact O-CA 3.38Å; L680-A693 HydrophobicContact CD2-CB 3.58Å; A693-S698 CarbonylContact O-C 3.52Å; A693-W699 HydrophobicContact CB-CB 4.37Å; A693-W699 PolarHBondContact N-O 2.93Å; A693-W699 PolarHBondContact O-N 3.25Å
694I94.2Very high87.6Confident4 Ų434.1 Ų34.12%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-106.9125.5-175.1-55.8-176.1000109.6V678 K679 F681 L692 L718 A721V678-I694 CarbonylContact C-O 3.6Å; V678-I694 WeakPolarHBondContact CA-O 3.49Å; K679-I694 HydrophobicContact CB-CB 4.43Å; K679-I694 PolarHBondContact N-O 2.85Å; K679-I694 PolarHBondContact O-N 3.1Å; F681-I694 HydrophobicContact CD2-CD1 3.62Å; F681-I694 HydrophobicContact CD2-CG1 3.98Å; F681-I694 HydrophobicContact CE2-CB 4.35Å; F681-I694 HydrophobicContact CE2-CD1 3.46Å; F681-I694 VanDerWaalsContact CE2-CD1 3.46Å; F681-I694 HydrophobicContact CE2-CG1 3.96Å; L692-I694 HydrophobicContact CD2-CD1 4.28Å; L692-I694 HydrophobicContact CD2-CG1 4.48Å; L692-I694 HydrophobicContact CG-CD1 4.42Å; L692-I694 HydrophobicContact CG-CG1 4.09Å; I694-L718 HydrophobicContact CD1-CB 3.84Å; I694-L718 HydrophobicContact CD1-CD1 4.45Å; I694-L718 HydrophobicContact CG2-CB 4.03Å; I694-L718 WeakPolarHBondContact CG2-O 3.36Å; I694-A721 HydrophobicContact CD1-CB 4.03Å
695S91.4Very high86.6Confident4 Ų435.3 Ų35.33%0.02817%0.17CC..SBendtrans-138.2-129.7175.8177.80000109.8G674 R676 R697 Q717G674-S695 WeakPolarHBondContact CA-OG 3.42Å; R676-S695 PolarHBondContact O-OG 3.32Å; S695-R697 PolarHBondContact N-O 2.86Å; S695-Q717 PolarHBondContact O-NE2 2.9Å; S695-Q717 VanDerWaalsContact O-NE2 3.09Å
696S87.2Confident85.7Confident29 Ų2940.1 Ų40.120%0.20320%0.196CC..SBendtrans-65.7-34.5166.460.70000110.9G674G674-S696 WeakPolarHBondContact CA-OG 3.3Å
697R85.4Confident85.3Confident61 Ų6138.3 Ų38.323%0.2319%0.185CC..SBendtrans-120.4158167-63-170.3-63.2-176.7-5.7110.4T425 S695T425-R697 VanDerWaalsContact CG2-CZ 3.5Å; T425-R697 PolarHBondContact OG1-NH1 3.05Å; S695-R697 PolarHBondContact N-O 2.86Å
698S91.1Very high85.2Confident3 Ų332.2 Ų32.22%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-89.9139.1173.5-58.10000109.5A693 P712 I713 L718A693-S698 CarbonylContact O-C 3.52Å; S698-P712 CarbonylContact O-C 3.55Å; S698-P712 WeakPolarHBondContact O-CA 3.45Å; S698-I713 PolarHBondContact O-N 3.04Å; S698-L718 WeakPolarHBondContact OG-CD1 3.24Å; S698-L718 WeakPolarHBondContact OG-CG 3.22Å
699W91.7Very high85Confident11 Ų1131.1 Ų31.14%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-131.5136.3-177.4-66.180.9000109.8R671 L673 L692 A693 L710 T711 P712R671-W699 VanDerWaalsContact NH2-CZ3 3.3Å; L673-W699 HydrophobicContact CD1-CB 4.42Å; L673-W699 HydrophobicContact CD1-CG 4.31Å; L673-W699 HydrophobicContact CD2-CB 4.33Å; L673-W699 HydrophobicContact CD2-CD2 3.76Å; L673-W699 HydrophobicContact CD2-CE3 4.32Å; L673-W699 HydrophobicContact CD2-CG 3.77Å; L673-W699 HydrophobicContact CG-CG 4.42Å; L673-W699 PolarHBondContact O-NE1 2.84Å; L692-W699 CarbonylContact C-O 3.58Å; L692-W699 WeakPolarHBondContact CA-O 3.49Å; A693-W699 HydrophobicContact CB-CB 4.37Å; A693-W699 PolarHBondContact N-O 2.93Å; A693-W699 PolarHBondContact O-N 3.25Å; W699-L710 HydrophobicContact CB-CD1 4.09Å; W699-L710 HydrophobicContact CE3-CD2 4.46Å; W699-L710 HydrophobicContact CE3-CG 4.1Å; W699-T711 CarbonylContact C-O 3.58Å; W699-T711 VanDerWaalsContact CA-O 3.31Å; W699-T711 WeakPolarHBondContact CA-O 3.34Å; W699-P712 HydrophobicContact CD2-CB 3.94Å; W699-P712 HydrophobicContact CE3-CB 3.9Å; W699-P712 HydrophobicContact CE3-CG 4.28Å; W699-P712 VanDerWaalsContact CE3-N 3.33Å; W699-P712 HydrophobicContact CH2-CB 4.22Å; W699-P712 HydrophobicContact CH2-CG 4.23Å; W699-P712 HydrophobicContact CZ2-CB 4.27Å; W699-P712 HydrophobicContact CZ3-CB 4.04Å; W699-P712 HydrophobicContact CZ3-CG 3.99Å
700L91.7Very high85Confident1 Ų130 Ų301%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-107.2122.5177.6-168.964.5000110L447 V683 L685 A690 L692 Y702 L710 T711 I713 I746L447-L700 HydrophobicContact CD1-CB 4.06Å; L447-L700 HydrophobicContact CD1-CD2 3.66Å; L447-L700 HydrophobicContact CD1-CG 4.49Å; V683-L700 HydrophobicContact CG2-CD1 3.77Å; L685-L700 HydrophobicContact CD2-CD2 3.81Å; A690-L700 HydrophobicContact CB-CD1 4.2Å; L692-L700 HydrophobicContact CB-CD1 4.35Å; L692-L700 HydrophobicContact CD1-CD1 4.41Å; L700-Y702 HydrophobicContact CB-CD1 4.29Å; L700-Y702 HydrophobicContact CD2-CD1 3.97Å; L700-Y702 HydrophobicContact CD2-CE1 4.46Å; L700-Y702 HydrophobicContact CG-CD1 3.88Å; L700-L710 WeakPolarHBondContact O-CA 3.36Å; L700-T711 PolarHBondContact N-O 3.43Å; L700-T711 PolarHBondContact O-N 2.84Å; L700-I713 HydrophobicContact CB-CD1 4.14Å; L700-I713 HydrophobicContact CB-CG1 4.17Å; L700-I746 HydrophobicContact CD2-CD1 3.74Å
701L90.6Very high84.8Confident17 Ų1730.1 Ų30.19%0.08914%0.142CC..EExtended strand (participates in β ladder)trans-98.4115.3169.5-179.869.6000108.9N645 A690 V691 H709 L710N645-L701 WeakPolarHBondContact OD1-CD2 3.37Å; A690-L701 CarbonylContact C-O 3.57Å; A690-L701 WeakPolarHBondContact CA-O 3.34Å; A690-L701 WeakPolarHBondContact CB-O 3.44Å; V691-L701 HydrophobicContact CB-CB 4.16Å; V691-L701 HydrophobicContact CB-CD2 4.31Å; V691-L701 PolarHBondContact N-O 3.26Å; V691-L701 WeakPolarHBondContact O-CB 3.44Å; V691-L701 PolarHBondContact O-N 3.16Å; L701-H709 VanDerWaalsContact CA-O 3.31Å; L701-H709 WeakPolarHBondContact CA-O 3.19Å; L701-L710 HydrophobicContact CB-CD1 3.69Å; L701-L710 HydrophobicContact CD1-CB 4.04Å; L701-L710 HydrophobicContact CD1-CD1 4.19Å
702Y87.9Confident84.6Confident8 Ų830 Ų303%0.03114%0.142CC..EExtended strand (participates in β ladder)trans-142.9163.5-17962.7-76.6000110.9L447 L685 L700 F704 H709 T711 L749L447-Y702 HydrophobicContact CD1-CE1 4.11Å; L685-Y702 HydrophobicContact CD2-CD2 4.31Å; L685-Y702 HydrophobicContact CD2-CG 4.07Å; L700-Y702 HydrophobicContact CB-CD1 4.29Å; L700-Y702 HydrophobicContact CD2-CD1 3.97Å; L700-Y702 HydrophobicContact CD2-CE1 4.46Å; L700-Y702 HydrophobicContact CG-CD1 3.88Å; Y702-F704 HydrophobicContact CD2-CB 3.75Å; Y702-F704 HydrophobicContact CE2-CB 3.59Å; Y702-F704 HydrophobicContact CE2-CG 4.22Å; Y702-H709 HydrophobicContact CD1-CB 4.14Å; Y702-H709 HydrophobicContact CD2-CB 4.39Å; Y702-H709 HydrophobicContact CE1-CB 3.59Å; Y702-H709 HydrophobicContact CE2-CB 3.9Å; Y702-H709 VanDerWaalsContact CZ-CB 3.47Å; Y702-H709 PolarHBondContact N-O 3.42Å; Y702-H709 PolarHBondContact O-N 2.75Å; Y702-T711 HydrophobicContact CE1-CG2 4.27Å; Y702-T711 WeakPolarHBondContact CE1-OG1 3.44Å; Y702-L749 HydrophobicContact CD1-CD2 4.36Å; Y702-L749 HydrophobicContact CD2-CD2 3.7Å; Y702-L749 HydrophobicContact CE1-CD2 4.15Å; Y702-L749 HydrophobicContact CE2-CB 4.04Å; Y702-L749 HydrophobicContact CE2-CD2 3.43Å; Y702-L749 VanDerWaalsContact CE2-CD2 3.43Å; Y702-L749 HydrophobicContact CE2-CG 4.3Å; Y702-L749 HydrophobicContact CG-CD2 4.16Å; Y702-L749 PolarHBondContact OH-O 2.81Å
703H80.9Confident84.3Confident34 Ų3430.4 Ų30.416%0.15714%0.144CC..EExtended strand (participates in β ladder)trans-104.5125.3175.7-177.9-103.9000108.6Y708H703-Y708 HydrophobicContact CB-CD1 4.33Å; H703-Y708 HydrophobicContact CB-CE1 4.11Å; H703-Y708 AromaticContact CD2-CZ 3.91Å
704F73.7Confident83.6Confident37 Ų3735 Ų3516%0.16216%0.161CC..EExtended strand (participates in β ladder)trans-148.2133.7-178.6-176.1-108.1000109.7Y702 N706 R707 L749Y702-F704 HydrophobicContact CD2-CB 3.75Å; Y702-F704 HydrophobicContact CE2-CB 3.59Å; Y702-F704 HydrophobicContact CE2-CG 4.22Å; F704-N706 VanDerWaalsContact C-N 3.32Å; F704-N706 PolarHBondContact O-N 3.45Å; F704-R707 PolarHBondContact N-O 2.58Å; F704-R707 PolarHBondContact O-N 3.14Å; F704-L749 HydrophobicContact CD2-CB 4.34Å; F704-L749 HydrophobicContact CE2-CB 4.37Å
705Q67.8Low83.1Confident124 Ų12437.2 Ų37.258%0.57917%0.169SC*.THydrogen-bonded Turntrans4946.9-179.7-63.6-179.9-7.900114R707Q705-R707 PolarHBondContact O-N 3.41Å
706N64.6Low82.8Confident115 Ų11541.7 Ų41.762%0.61519%0.193SC*.THydrogen-bonded Turntrans60.917.8-178.2-64.6-8.9000115.2F704F704-N706 VanDerWaalsContact C-N 3.32Å; F704-N706 PolarHBondContact O-N 3.45Å
707R70.7Confident82.8Confident60 Ų6043.3 Ų43.323%0.22620%0.197CC..EExtended strand (participates in β ladder)trans-127.2147174.9-168.1173.9-178.1172.82.2110.9F704 Q705 H709 E1158F704-R707 PolarHBondContact N-O 2.58Å; F704-R707 PolarHBondContact O-N 3.14Å; Q705-R707 PolarHBondContact O-N 3.41Å; R707-H709 PolarHBondContact O-CD2 3.02Å; R707-E1158 IonicContact CZ-OE2 3.01Å; R707-E1158 IonicContact NH1-OE1 3.27Å; R707-E1158 IonicContact NH1-OE2 3.27Å; R707-E1158 PolarHBondContact NH1-OE2 3.03Å; R707-E1158 IonicContact NH2-OE1 2.78Å; R707-E1158 PolarHBondContact NH2-OE1 3.1Å; R707-E1158 IonicContact NH2-OE2 3.01Å
708Y76.3Confident83.1Confident46 Ų4640.6 Ų40.618%0.1819%0.187CC..EExtended strand (participates in β ladder)trans-83.7128.2168.6-73.1-82.2000109.9C633 F643 R655 H703C633-Y708 HydrophobicContact CB-CE1 4.33Å; C633-Y708 WeakPolarHBondContact CB-OH 3.34Å; F643-Y708 HydrophobicContact CE2-CE1 4.44Å; F643-Y708 AromaticContact CE2-CZ 3.87Å; F643-Y708 WeakPolarHBondContact CE2-OH 3.42Å; F643-Y708 HydrophobicContact CZ-CE2 4.29Å; R655-Y708 VanDerWaalsContact NH1-CG 3.32Å; R655-Y708 VanDerWaalsContact NH2-CD1 3.33Å; R655-Y708 VanDerWaalsContact NH2-CD2 3.28Å; H703-Y708 HydrophobicContact CB-CD1 4.33Å; H703-Y708 HydrophobicContact CB-CE1 4.11Å; H703-Y708 AromaticContact CD2-CZ 3.91Å
709H80.8Confident83.1Confident44 Ų4443.3 Ų43.320%0.20420%0.199CC..EExtended strand (participates in β ladder)trans-113131.7175.1-70.2-87.2000109L701 Y702 R707 T711L701-H709 VanDerWaalsContact CA-O 3.31Å; L701-H709 WeakPolarHBondContact CA-O 3.19Å; Y702-H709 HydrophobicContact CD1-CB 4.14Å; Y702-H709 HydrophobicContact CD2-CB 4.39Å; Y702-H709 HydrophobicContact CE1-CB 3.59Å; Y702-H709 HydrophobicContact CE2-CB 3.9Å; Y702-H709 VanDerWaalsContact CZ-CB 3.47Å; Y702-H709 PolarHBondContact N-O 3.42Å; Y702-H709 PolarHBondContact O-N 2.75Å; R707-H709 PolarHBondContact O-CD2 3.02Å; H709-T711 HydrophobicContact CB-CG2 4.34Å
710L86.3Confident83.1Confident22 Ų2243 Ų4312%0.11520%0.198CC..EExtended strand (participates in β ladder)trans-118.5101.6165.4179.777.4000107.4L653 R671 L673 W699 L700 L701L653-L710 HydrophobicContact CD2-CD1 4.25Å; L653-L710 HydrophobicContact CD2-CD2 4.25Å; R671-L710 HydrophobicContact CB-CD2 4.18Å; R671-L710 VanDerWaalsContact CD-CD2 3.41Å; R671-L710 HydrophobicContact CG-CD2 3.9Å; R671-L710 PolarHBondContact NH1-O 2.94Å; L673-L710 HydrophobicContact CD2-CD2 3.85Å; W699-L710 HydrophobicContact CB-CD1 4.09Å; W699-L710 HydrophobicContact CE3-CD2 4.46Å; W699-L710 HydrophobicContact CE3-CG 4.1Å; L700-L710 WeakPolarHBondContact O-CA 3.36Å; L701-L710 HydrophobicContact CB-CD1 3.69Å; L701-L710 HydrophobicContact CD1-CB 4.04Å; L701-L710 HydrophobicContact CD1-CD1 4.19Å
711T87.2Confident83.2Confident6 Ų643.1 Ų43.14%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-118.4142.8-174.556.50000110.3L447 W699 L700 Y702 H709L447-T711 WeakPolarHBondContact CD1-OG1 3.41Å; L447-T711 VanDerWaalsContact CG-OG1 3.29Å; L447-T711 WeakPolarHBondContact CG-OG1 3.44Å; W699-T711 CarbonylContact C-O 3.58Å; W699-T711 VanDerWaalsContact CA-O 3.31Å; W699-T711 WeakPolarHBondContact CA-O 3.34Å; L700-T711 PolarHBondContact N-O 3.43Å; L700-T711 PolarHBondContact O-N 2.84Å; Y702-T711 HydrophobicContact CE1-CG2 4.27Å; Y702-T711 WeakPolarHBondContact CE1-OG1 3.44Å; H709-T711 HydrophobicContact CB-CG2 4.34Å
712P88.9Confident83.3Confident2 Ų243.1 Ų43.11%0.01320%0.201CC..EExtended strand (participates in β ladder)trans-71.4151174.229.7-28.9000109.1H445 G446 L447 S698 W699H445-P712 WeakPolarHBondContact CE1-CD 3.29Å; H445-P712 VanDerWaalsContact CE1-CG 3.42Å; H445-P712 WeakPolarHBondContact CE1-CG 3.36Å; H445-P712 WeakPolarHBondContact ND1-CG 3.42Å; H445-P712 VanDerWaalsContact NE2-CD 3.33Å; H445-P712 WeakPolarHBondContact NE2-CD 3.47Å; G446-P712 CarbonylContact C-O 3.56Å; G446-P712 WeakPolarHBondContact CA-O 3.36Å; L447-P712 PolarHBondContact N-O 2.65Å; S698-P712 CarbonylContact O-C 3.55Å; S698-P712 WeakPolarHBondContact O-CA 3.45Å; W699-P712 HydrophobicContact CD2-CB 3.94Å; W699-P712 HydrophobicContact CE3-CB 3.9Å; W699-P712 HydrophobicContact CE3-CG 4.28Å; W699-P712 VanDerWaalsContact CE3-N 3.33Å; W699-P712 HydrophobicContact CH2-CB 4.22Å; W699-P712 HydrophobicContact CH2-CG 4.23Å; W699-P712 HydrophobicContact CZ2-CB 4.27Å; W699-P712 HydrophobicContact CZ3-CB 4.04Å; W699-P712 HydrophobicContact CZ3-CG 3.99Å
713I87.4Confident83.6Confident11 Ų1144.5 Ų44.56%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-97.5125.6173.1-58.4-177.6000106.8V449 L692 S698 L700 Y715 I746V449-I713 HydrophobicContact CG2-CG2 3.11Å; L692-I713 HydrophobicContact CD1-CD1 3.37Å; S698-I713 PolarHBondContact O-N 3.04Å; L700-I713 HydrophobicContact CB-CD1 4.14Å; L700-I713 HydrophobicContact CB-CG1 4.17Å; I713-Y715 VanDerWaalsContact C-N 3.31Å; I713-Y715 PolarHBondContact O-N 3.4Å; I713-I746 HydrophobicContact CD1-CD1 4.24Å
714R80Confident84.1Confident97 Ų9743.4 Ų43.437%0.36621%0.207SC..  trans-76.889.1176.9-175-167.1173.8-173-2.2108.8R444 L447 T756R444-R714 VanDerWaalsContact CZ-NH2 3.28Å; L447-R714 PolarHBondContact O-N 3.06Å; L447-R714 VanDerWaalsContact O-N 3.15Å; R714-T756 PolarHBondContact NH1-OG1 3.25Å
715Y83.5Confident85Confident49 Ų4942.9 Ų42.919%0.19221%0.208CC..SBendtrans-152.9169.9179.6-152-108.6000111.8V449 E451 I713 L718 R742 L744V449-Y715 HydrophobicContact CB-CD2 4.2Å; V449-Y715 HydrophobicContact CG1-CD2 4.26Å; V449-Y715 HydrophobicContact CG1-CE2 4.42Å; E451-Y715 VanDerWaalsContact CD-OH 3.28Å; E451-Y715 HydrophobicContact CG-CE2 3.75Å; E451-Y715 WeakPolarHBondContact CG-OH 3.39Å; E451-Y715 WeakPolarHBondContact OE1-CE2 3.49Å; E451-Y715 PolarHBondContact OE1-OH 2.85Å; I713-Y715 VanDerWaalsContact C-N 3.31Å; I713-Y715 PolarHBondContact O-N 3.4Å; Y715-L718 HydrophobicContact CD1-CD2 3.59Å; Y715-L718 HydrophobicContact CD1-CG 4.34Å; Y715-L718 HydrophobicContact CE1-CD2 3.91Å; Y715-R742 WeakPolarHBondContact OH-CD 3.35Å; Y715-R742 PolarHBondContact OH-NH1 3.18Å; Y715-L744 HydrophobicContact CD1-CD1 4.05Å; Y715-L744 HydrophobicContact CE1-CD1 3.88Å; Y715-L744 HydrophobicContact CE1-CD2 4.1Å; Y715-L744 HydrophobicContact CE2-CD1 4.48Å; Y715-L744 HydrophobicContact CE2-CD2 3.84Å; Y715-L744 HydrophobicContact CG-CD1 4.38Å; Y715-L744 WeakPolarHBondContact OH-CD2 3.3Å
716L85.3Confident86Confident99 Ų9937.6 Ų37.652%0.51819%0.185SC..SBendtrans-57.8157.5168.4-65.6168.4000110.2L718L716-L718 PolarHBondContact O-N 2.82Å
717Q87.1Confident87Confident63 Ų6338.7 Ų38.729%0.29419%0.19SC..PPolyproline II helixtrans-57.9124.2174.1175.9159.346.100110.9R676 S695R676-Q717 VanDerWaalsContact NE-NE2 3.11Å; R676-Q717 VanDerWaalsContact NH1-OE1 3.15Å; S695-Q717 PolarHBondContact O-NE2 2.9Å; S695-Q717 VanDerWaalsContact O-NE2 3.09Å
718L91.9Very high87.6Confident4 Ų442.8 Ų42.82%0.02121%0.212CC..PPolyproline II helixtrans-96155.7177.8-57.3-176.4000110.4I694 S698 Y715 L716 V735 I736 A737I694-L718 HydrophobicContact CD1-CB 3.84Å; I694-L718 HydrophobicContact CD1-CD1 4.45Å; I694-L718 HydrophobicContact CG2-CB 4.03Å; I694-L718 WeakPolarHBondContact CG2-O 3.36Å; S698-L718 WeakPolarHBondContact OG-CD1 3.24Å; S698-L718 WeakPolarHBondContact OG-CG 3.22Å; Y715-L718 HydrophobicContact CD1-CD2 3.59Å; Y715-L718 HydrophobicContact CD1-CG 4.34Å; Y715-L718 HydrophobicContact CE1-CD2 3.91Å; L716-L718 PolarHBondContact O-N 2.82Å; L718-V735 HydrophobicContact CD1-CB 4.11Å; L718-V735 HydrophobicContact CD1-CG1 3.95Å; L718-V735 HydrophobicContact CD1-CG2 4.38Å; L718-V735 HydrophobicContact CD2-CB 3.97Å; L718-V735 HydrophobicContact CD2-CG2 3.63Å; L718-I736 WeakPolarHBondContact CA-O 3.14Å; L718-A737 HydrophobicContact CD2-CB 4.09Å
719E90.7Very high88Confident59 Ų5940.7 Ų40.728%0.27620%0.204SC..SBendtrans-114.2-35.4177.6-73.1-63163.400113.4R676 K679 I736R676-E719 IonicContact NH1-OE1 3.47Å; R676-E719 PolarHBondContact NH1-OE1 2.86Å; R676-E719 VanDerWaalsContact NH1-OE1 3.12Å; K679-E719 VanDerWaalsContact CD-O 3.32Å; K679-E719 WeakPolarHBondContact CD-O 3.25Å; K679-E719 PolarHBondContact NZ-O 3.36Å; K679-E719 IonicContact NZ-OE2 3.96Å; K679-E719 PolarHBondContact NZ-OE2 2.92Å; E719-I736 HydrophobicContact CB-CG2 4.19Å; E719-I736 PolarHBondContact N-O 3.32Å
720S92.5Very high88.1Confident4 Ų442.7 Ų42.73%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-154.8154178.8-176.40000110A463 V464 V735 I736A463-S720 WeakPolarHBondContact CA-OG 3.23Å; V464-S720 PolarHBondContact N-OG 3.31Å; S720-V735 WeakPolarHBondContact O-CA 3.31Å; S720-I736 PolarHBondContact O-N 2.95Å
721A93.9Very high88.2Confident4 Ų444.9 Ų44.93%0.03323%0.231CC..EExtended strand (participates in β ladder)trans-148.1152.9-178.900000112F681 L692 I694 V734 V735F681-A721 HydrophobicContact CB-CB 4.45Å; F681-A721 WeakPolarHBondContact CD1-O 3.4Å; F681-A721 HydrophobicContact CD2-CB 4.26Å; F681-A721 HydrophobicContact CG-CB 4.25Å; L692-A721 HydrophobicContact CD2-CB 3.37Å; I694-A721 HydrophobicContact CD1-CB 4.03Å; A721-V734 CarbonylContact C-O 3.59Å; A721-V734 VanDerWaalsContact CA-O 3.29Å; A721-V734 WeakPolarHBondContact CA-O 3.36Å; A721-V735 HydrophobicContact CB-CG1 3.87Å
722S93.1Very high88.3Confident17 Ų1744.7 Ų44.712%0.11923%0.23CC..EExtended strand (participates in β ladder)trans-144150.5173.4-154.80000110.6T466 F733 V734T466-S722 PolarHBondContact N-OG 2.82Å; T466-S722 PolarHBondContact OG1-OG 2.94Å; S722-F733 CarbonylContact O-C 3.56Å; S722-F733 VanDerWaalsContact O-CA 3.29Å; S722-F733 WeakPolarHBondContact O-CA 3.18Å; S722-V734 PolarHBondContact N-O 2.7Å; S722-V734 PolarHBondContact O-N 2.92Å
723S92.4Very high88.4Confident37 Ų3745 Ų4526%0.25923%0.231SC..EExtended strand (participates in β ladder)trans-63.7138.6173.653.30000110.8T466T466-S723 VanDerWaalsContact CB-O 3.31Å; T466-S723 WeakPolarHBondContact CB-O 3.42Å; T466-S723 WeakPolarHBondContact CG2-O 3.32Å; T466-S723 PolarHBondContact OG1-O 3.07Å
724F92.3Very high88.7Confident11 Ų1144.4 Ų44.45%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-131.5136.1-178.5177.9-106.5000110.8T466 D476 I479 I492 S726 C729 G732 V734 I743T466-F724 HydrophobicContact CG2-CB 4.31Å; T466-F724 HydrophobicContact CG2-CD2 3.92Å; D476-F724 WeakPolarHBondContact OD2-CA 3.32Å; I479-F724 HydrophobicContact CD1-CD2 4.46Å; I479-F724 HydrophobicContact CD1-CE2 3.98Å; I479-F724 HydrophobicContact CG1-CE2 4.38Å; I492-F724 HydrophobicContact CD1-CD2 4.22Å; I492-F724 HydrophobicContact CD1-CE2 3.5Å; I492-F724 VanDerWaalsContact CD1-CE2 3.5Å; I492-F724 HydrophobicContact CD1-CZ 4.43Å; I492-F724 HydrophobicContact CG1-CE2 3.98Å; I492-F724 HydrophobicContact CG2-CE2 4.4Å; I492-F724 HydrophobicContact CG2-CZ 4.29Å; F724-S726 VanDerWaalsContact CE1-OG 3.26Å; F724-S726 WeakPolarHBondContact CE1-OG 3.35Å; F724-C729 HydrophobicContact CD1-CB 4.42Å; F724-C729 HydrophobicContact CE1-CB 4.25Å; F724-G732 PolarHBondContact N-O 3.11Å; F724-G732 CarbonylContact O-C 3.54Å; F724-G732 PolarHBondContact O-N 2.69Å; F724-G732 VanDerWaalsContact O-O 3.1Å; F724-V734 HydrophobicContact CB-CB 4.42Å; F724-V734 HydrophobicContact CB-CG2 3.53Å; F724-V734 HydrophobicContact CD1-CG2 4.27Å; F724-V734 HydrophobicContact CD2-CG2 3.4Å; F724-V734 HydrophobicContact CE2-CG2 4.12Å; F724-V734 HydrophobicContact CG-CG2 3.47Å; F724-V734 VanDerWaalsContact CG-CG2 3.47Å; F724-I743 HydrophobicContact CD1-CG2 3.64Å; F724-I743 HydrophobicContact CE1-CD1 4.01Å; F724-I743 HydrophobicContact CE1-CG2 3.73Å; F724-I743 HydrophobicContact CZ-CD1 3.95Å
725S91.6Very high89.4Confident27 Ų2739.9 Ų39.919%0.18921%0.211CC..  trans-136.6130.9174.7-169.60000110.7D476 P730D476-S725 PolarHBondContact N-O 3.22Å; D476-S725 PolarHBondContact OD2-N 2.96Å; S725-P730 WeakPolarHBondContact CB-O 3.3Å; S725-P730 PolarHBondContact OG-O 2.97Å
726S90.1Very high89.9Confident13 Ų1337.6 Ų37.69%0.09120%0.202CC..  trans-153.516717863.70000110N475 F724 Q728 C729 P730N475-S726 WeakPolarHBondContact OD1-CA 3.36Å; F724-S726 VanDerWaalsContact CE1-OG 3.26Å; F724-S726 WeakPolarHBondContact CE1-OG 3.35Å; S726-Q728 PolarHBondContact O-N 3.12Å; S726-Q728 VanDerWaalsContact O-N 3.17Å; S726-C729 PolarHBondContact N-O 2.93Å; S726-C729 CarbonylContact O-C 3.58Å; S726-C729 PolarHBondContact O-N 2.74Å; S726-C729 VanDerWaalsContact O-N 3.12Å; S726-C729 PolarHBondContact OG-N 2.95Å; S726-C729 PolarHBondContact OG-O 3.38Å; S726-P730 WeakPolarHBondContact O-CA 3.39Å
727D85.7Confident90.1Very high137 Ų13733 Ų3373%0.73318%0.179SC*.SBendtrans-58.7-30.9177.8-67.4-32.3000113.6N475N475-D727 VanDerWaalsContact ND2-CG 3.28Å; N475-D727 PolarHBondContact ND2-OD1 2.93Å
728Q83.4Confident90.1Very high147 Ų14733.2 Ų33.269%0.68719%0.191SC*.SBendtrans-84.1-28.2178.9-63.6179.89.600113.2S726S726-Q728 PolarHBondContact O-N 3.12Å; S726-Q728 VanDerWaalsContact O-N 3.17Å
729C84Confident90Very high2 Ų236.6 Ų36.61%0.01421%0.209CC..  trans-136.788.4-178.9-174.60000107.5F724 S726 E731F724-C729 HydrophobicContact CD1-CB 4.42Å; F724-C729 HydrophobicContact CE1-CB 4.25Å; S726-C729 PolarHBondContact N-O 2.93Å; S726-C729 CarbonylContact O-C 3.58Å; S726-C729 PolarHBondContact O-N 2.74Å; S726-C729 VanDerWaalsContact O-N 3.12Å; S726-C729 PolarHBondContact OG-N 2.95Å; S726-C729 PolarHBondContact OG-O 3.38Å; C729-E731 VanDerWaalsContact C-N 3.27Å; C729-E731 PolarHBondContact O-N 3.32Å
730P83.9Confident90.1Very high86 Ų8634 Ų3456%0.55820%0.198SC*.SBendtrans-59.2-40.7-175.7-25.934.3000112.1S725 S726S725-P730 WeakPolarHBondContact CB-O 3.3Å; S725-P730 PolarHBondContact OG-O 2.97Å; S726-P730 WeakPolarHBondContact O-CA 3.39Å
731E86.8Confident90.1Very high68 Ų6834.2 Ų34.232%0.31820%0.199SC..SBendtrans-131.8110.4175-63.6-166.415000110.4Q686 E687 C729Q686-E731 WeakPolarHBondContact CA-OE2 3.31Å; Q686-E731 PolarHBondContact N-OE2 3.4Å; E687-E731 PolarHBondContact N-OE1 2.73Å; C729-E731 VanDerWaalsContact C-N 3.27Å; C729-E731 PolarHBondContact O-N 3.32Å
732G90.2Very high90Very high2 Ų236 Ų362%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-149.4-171.8175.100000112.8F724 L744F724-G732 PolarHBondContact N-O 3.11Å; F724-G732 CarbonylContact O-C 3.54Å; F724-G732 PolarHBondContact O-N 2.69Å; F724-G732 VanDerWaalsContact O-O 3.1Å; G732-L744 CarbonylContact C-O 3.58Å; G732-L744 VanDerWaalsContact CA-O 3.26Å; G732-L744 WeakPolarHBondContact CA-O 3.33Å
733F91Very high90Very high7 Ų736 Ų363%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-132.9134.6176-42.5-62.2000109.8V683 K684 L685 S722 V735 L744 I746V683-F733 HydrophobicContact CB-CD1 3.53Å; V683-F733 HydrophobicContact CB-CE1 3.33Å; V683-F733 HydrophobicContact CB-CZ 4.2Å; V683-F733 HydrophobicContact CG1-CD1 3.7Å; V683-F733 HydrophobicContact CG1-CE1 4.04Å; V683-F733 HydrophobicContact CG1-CG 4.46Å; V683-F733 HydrophobicContact CG2-CD1 4.21Å; V683-F733 HydrophobicContact CG2-CE1 3.7Å; V683-F733 HydrophobicContact CG2-CZ 4.06Å; K684-F733 VanDerWaalsContact O-CE1 3.23Å; K684-F733 WeakPolarHBondContact O-CE1 3.18Å; L685-F733 HydrophobicContact CD1-CZ 4.02Å; S722-F733 CarbonylContact O-C 3.56Å; S722-F733 VanDerWaalsContact O-CA 3.29Å; S722-F733 WeakPolarHBondContact O-CA 3.18Å; F733-V735 HydrophobicContact CB-CG1 4.21Å; F733-L744 PolarHBondContact N-O 3.44Å; F733-L744 PolarHBondContact O-N 3.44Å; F733-I746 HydrophobicContact CD2-CD1 4.46Å; F733-I746 HydrophobicContact CE2-CD1 3.79Å; F733-I746 HydrophobicContact CE2-CG1 4.07Å
734V94.1Very high90Very high0 Ų034.6 Ų34.60%019%0.193CC..EExtended strand (participates in β ladder)trans-91.3127.2166.7175.90000107.4V464 T466 I479 A721 S722 F724 L741 R742 I743V464-V734 HydrophobicContact CG2-CG1 3.69Å; T466-V734 HydrophobicContact CG2-CB 4.32Å; T466-V734 HydrophobicContact CG2-CG2 4.02Å; I479-V734 HydrophobicContact CD1-CG2 4.09Å; I479-V734 HydrophobicContact CG2-CG1 4.19Å; A721-V734 CarbonylContact C-O 3.59Å; A721-V734 VanDerWaalsContact CA-O 3.29Å; A721-V734 WeakPolarHBondContact CA-O 3.36Å; S722-V734 PolarHBondContact N-O 2.7Å; S722-V734 PolarHBondContact O-N 2.92Å; F724-V734 HydrophobicContact CB-CB 4.42Å; F724-V734 HydrophobicContact CB-CG2 3.53Å; F724-V734 HydrophobicContact CD1-CG2 4.27Å; F724-V734 HydrophobicContact CD2-CG2 3.4Å; F724-V734 HydrophobicContact CE2-CG2 4.12Å; F724-V734 HydrophobicContact CG-CG2 3.47Å; F724-V734 VanDerWaalsContact CG-CG2 3.47Å; V734-L741 HydrophobicContact CG1-CD1 3.43Å; V734-L741 VanDerWaalsContact CG1-CD1 3.43Å; V734-L741 HydrophobicContact CG1-CG 4.09Å; V734-R742 WeakPolarHBondContact CA-O 3.38Å; V734-I743 HydrophobicContact CG2-CG1 4.07Å
735V94.3Very high89.9Confident2 Ų235.6 Ų35.61%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-129.2155.4-177.2-52.20000111.5L718 S720 A721 F733 R742 L744L718-V735 HydrophobicContact CD1-CB 4.11Å; L718-V735 HydrophobicContact CD1-CG1 3.95Å; L718-V735 HydrophobicContact CD1-CG2 4.38Å; L718-V735 HydrophobicContact CD2-CB 3.97Å; L718-V735 HydrophobicContact CD2-CG2 3.63Å; S720-V735 WeakPolarHBondContact O-CA 3.31Å; A721-V735 HydrophobicContact CB-CG1 3.87Å; F733-V735 HydrophobicContact CB-CG1 4.21Å; V735-R742 HydrophobicContact CG2-CB 3.93Å; V735-R742 PolarHBondContact N-O 2.91Å; V735-R742 PolarHBondContact O-N 2.85Å; V735-L744 HydrophobicContact CB-CD1 4.29Å; V735-L744 HydrophobicContact CG1-CD1 3.89Å; V735-L744 HydrophobicContact CG1-CG 4.45Å; V735-L744 HydrophobicContact CG2-CD1 3.4Å; V735-L744 VanDerWaalsContact CG2-CD1 3.4Å; V735-L744 HydrophobicContact CG2-CG 3.8Å
736I93.5Very high89.6Confident0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-106.9126.3170.4-70.9163.9000108.5P461 A463 V464 V481 L718 E719 S720 S740 L741P461-I736 HydrophobicContact CB-CD1 3.85Å; P461-I736 HydrophobicContact CB-CG1 4.4Å; P461-I736 HydrophobicContact CB-CG2 4.26Å; P461-I736 HydrophobicContact CG-CD1 4.22Å; P461-I736 HydrophobicContact CG-CG1 4.28Å; P461-I736 HydrophobicContact CG-CG2 3.51Å; A463-I736 VanDerWaalsContact C-CD1 3.44Å; V464-I736 HydrophobicContact CB-CD1 3.61Å; V464-I736 HydrophobicContact CB-CG1 4.08Å; V464-I736 HydrophobicContact CG1-CD1 3.87Å; V464-I736 HydrophobicContact CG1-CG1 4.03Å; V481-I736 HydrophobicContact CG1-CD1 4.42Å; L718-I736 WeakPolarHBondContact CA-O 3.14Å; E719-I736 HydrophobicContact CB-CG2 4.19Å; E719-I736 PolarHBondContact N-O 3.32Å; S720-I736 PolarHBondContact O-N 2.95Å; I736-S740 WeakPolarHBondContact CA-O 3.26Å; I736-L741 HydrophobicContact CG1-CD1 4.31Å
737A89.7Confident88.9Confident4 Ų438.4 Ų38.43%0.03321%0.207CC..EExtended strand (participates in β ladder)trans-124.6111.217100000109L718 N739 S740L718-A737 HydrophobicContact CD2-CB 4.09Å; A737-N739 PolarHBondContact O-N 2.9Å; A737-N739 VanDerWaalsContact O-N 3.07Å; A737-S740 PolarHBondContact N-O 3.48Å; A737-S740 PolarHBondContact O-N 3.46Å; A737-S740 PolarHBondContact O-OG 2.89Å
738A87Confident88.3Confident66 Ų6635.6 Ų35.655%0.54519%0.188SC..THydrogen-bonded Turntrans50.4-109.5-173.100000112.6
739N90.4Very high87.9Confident75 Ų7529.1 Ų29.140%0.40116%0.158SC..THydrogen-bonded Turntrans-102.416.6179.165.9-27.3000113.2L457 A737L457-N739 PolarHBondContact N-O 3.05Å; A737-N739 PolarHBondContact O-N 2.9Å; A737-N739 VanDerWaalsContact O-N 3.07Å
740S92.3Very high87Confident6 Ų631.5 Ų31.54%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-122.5139.9-178.164.70000112.3S455 I736 A737 R742S455-S740 CarbonylContact O-C 3.59Å; S455-S740 WeakPolarHBondContact O-CA 3.38Å; I736-S740 WeakPolarHBondContact CA-O 3.26Å; A737-S740 PolarHBondContact N-O 3.48Å; A737-S740 PolarHBondContact O-N 3.46Å; A737-S740 PolarHBondContact O-OG 2.89Å; S740-R742 PolarHBondContact OG-NE 3.18Å
741L92.5Very high86.4Confident8 Ų830 Ų304%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-90.5130.6165.6-172.871.8000108.4S455 L457 V464 I479 V481 L490 V734 I736S455-L741 PolarHBondContact N-O 2.76Å; S455-L741 PolarHBondContact O-N 2.85Å; L457-L741 HydrophobicContact CD1-CB 3.75Å; L457-L741 HydrophobicContact CD2-CB 4.36Å; L457-L741 HydrophobicContact CG-CB 3.95Å; V464-L741 HydrophobicContact CG2-CD1 4.13Å; I479-L741 HydrophobicContact CG2-CD2 4.37Å; V481-L741 HydrophobicContact CG2-CD1 4.13Å; L490-L741 HydrophobicContact CD1-CD2 3.84Å; V734-L741 HydrophobicContact CG1-CD1 3.43Å; V734-L741 VanDerWaalsContact CG1-CD1 3.43Å; V734-L741 HydrophobicContact CG1-CG 4.09Å; I736-L741 HydrophobicContact CG1-CD1 4.31Å
742R93Very high85.7Confident40 Ų4028.4 Ų28.415%0.15117%0.167CC..EExtended strand (participates in β ladder)trans-134.3141.2-179-51.2-168.2-179.9-148.8-4.5110.8E451 A453 I454 Y715 V734 V735 S740 L744E451-R742 IonicContact OE1-NH1 2.89Å; E451-R742 PolarHBondContact OE1-NH1 3.04Å; A453-R742 WeakPolarHBondContact O-CA 3.43Å; I454-R742 HydrophobicContact CG1-CG 4.33Å; I454-R742 HydrophobicContact CG2-CG 4.33Å; Y715-R742 WeakPolarHBondContact OH-CD 3.35Å; Y715-R742 PolarHBondContact OH-NH1 3.18Å; V734-R742 WeakPolarHBondContact CA-O 3.38Å; V735-R742 HydrophobicContact CG2-CB 3.93Å; V735-R742 PolarHBondContact N-O 2.91Å; V735-R742 PolarHBondContact O-N 2.85Å; S740-R742 PolarHBondContact OG-NE 3.18Å; R742-L744 HydrophobicContact CB-CD2 4.24Å
743I92.3Very high85.3Confident19 Ų1928.4 Ų28.410%0.09717%0.167CC..EExtended strand (participates in β ladder)trans-106.3121.2174.7-55.8-178.8000107.5M452 A453 F724 V734M452-I743 HydrophobicContact CB-CB 4.28Å; M452-I743 HydrophobicContact CB-CG2 4.1Å; M452-I743 PolarHBondContact N-O 2.85Å; A453-I743 HydrophobicContact CB-CB 4.22Å; A453-I743 HydrophobicContact CB-CD1 4.1Å; A453-I743 HydrophobicContact CB-CG1 4.23Å; A453-I743 PolarHBondContact O-N 3.34Å; F724-I743 HydrophobicContact CD1-CG2 3.64Å; F724-I743 HydrophobicContact CE1-CD1 4.01Å; F724-I743 HydrophobicContact CE1-CG2 3.73Å; F724-I743 HydrophobicContact CZ-CD1 3.95Å; V734-I743 HydrophobicContact CG2-CG1 4.07Å
744L92.1Very high84.9Confident6 Ų628.4 Ų28.43%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-119.8144.9-171.9-57.2-176.7000110.7V449 I450 E451 Y715 G732 F733 V735 R742V449-L744 HydrophobicContact CG1-CB 3.62Å; V449-L744 HydrophobicContact CG1-CD1 3.93Å; V449-L744 HydrophobicContact CG1-CD2 3.73Å; V449-L744 HydrophobicContact CG1-CG 3.94Å; I450-L744 WeakPolarHBondContact O-CA 3.3Å; E451-L744 HydrophobicContact CG-CD2 4Å; Y715-L744 HydrophobicContact CD1-CD1 4.05Å; Y715-L744 HydrophobicContact CE1-CD1 3.88Å; Y715-L744 HydrophobicContact CE1-CD2 4.1Å; Y715-L744 HydrophobicContact CE2-CD1 4.48Å; Y715-L744 HydrophobicContact CE2-CD2 3.84Å; Y715-L744 HydrophobicContact CG-CD1 4.38Å; Y715-L744 WeakPolarHBondContact OH-CD2 3.3Å; G732-L744 CarbonylContact C-O 3.58Å; G732-L744 VanDerWaalsContact CA-O 3.26Å; G732-L744 WeakPolarHBondContact CA-O 3.33Å; F733-L744 PolarHBondContact N-O 3.44Å; F733-L744 PolarHBondContact O-N 3.44Å; V735-L744 HydrophobicContact CB-CD1 4.29Å; V735-L744 HydrophobicContact CG1-CD1 3.89Å; V735-L744 HydrophobicContact CG1-CG 4.45Å; V735-L744 HydrophobicContact CG2-CD1 3.4Å; V735-L744 VanDerWaalsContact CG2-CD1 3.4Å; V735-L744 HydrophobicContact CG2-CG 3.8Å; R742-L744 HydrophobicContact CB-CD2 4.24Å
745M90Very high84.3Confident33 Ų3330.7 Ų30.716%0.16318%0.176CC..EExtended strand (participates in β ladder)trans-129.9145.5173.6-174.8174.867.400109.9I450 M452 E747I450-M745 HydrophobicContact CD1-CE 4.18Å; I450-M745 PolarHBondContact N-O 2.74Å; I450-M745 PolarHBondContact O-N 3.48Å; M452-M745 HydrophobicContact CG-CB 4.18Å; M452-M745 HydrophobicContact SD-CE 4.11Å; M745-E747 HydrophobicContact CE-CG 3.76Å
746I84.9Confident84Confident15 Ų1532.1 Ų32.18%0.07719%0.185CC..  trans-116.9108.1176.2-59.5178.6000108.1L447 L685 L700 I713 F733 L749L447-I746 HydrophobicContact CB-CG2 4.45Å; L447-I746 HydrophobicContact CD1-CD1 4.28Å; L447-I746 HydrophobicContact CD1-CG2 4.36Å; L685-I746 HydrophobicContact CD1-CB 4.47Å; L700-I746 HydrophobicContact CD2-CD1 3.74Å; I713-I746 HydrophobicContact CD1-CD1 4.24Å; F733-I746 HydrophobicContact CD2-CD1 4.46Å; F733-I746 HydrophobicContact CE2-CD1 3.79Å; F733-I746 HydrophobicContact CE2-CG1 4.07Å; I746-L749 HydrophobicContact CG2-CD2 4.36Å
747E75.2Confident83.8Confident84 Ų8434.7 Ų34.739%0.39320%0.203SC..  trans-85.3-40.2-179.9-70.8-172.5166.500113.2R49 I450 M745R49-E747 IonicContact CZ-OE2 3.1Å; R49-E747 VanDerWaalsContact CZ-OE2 3.25Å; R49-E747 IonicContact NH1-OE2 3.47Å; R49-E747 PolarHBondContact NH1-OE2 2.84Å; R49-E747 IonicContact NH2-OE1 3.28Å; R49-E747 IonicContact NH2-OE2 3.55Å; R49-E747 PolarHBondContact NH2-OE2 3.25Å; I450-E747 HydrophobicContact CD1-CB 4.42Å; I450-E747 HydrophobicContact CD1-CG 3.55Å; I450-E747 VanDerWaalsContact CD1-OE1 3.3Å; I450-E747 WeakPolarHBondContact CD1-OE1 3.43Å; I450-E747 WeakPolarHBondContact CD1-OE2 3.24Å; M745-E747 HydrophobicContact CE-CG 3.76Å
748K73.7Confident84Confident77 Ų7736.1 Ų36.134%0.33521%0.208SC..  trans-111.8107.2-169.5-65.5177.4-175.2165.20111.2E448 T751E448-K748 IonicContact OE2-NZ 3.38Å; K748-T751 WeakPolarHBondContact CB-OG1 3.42Å
749L74.7Confident84.2Confident11 Ų1136.9 Ų36.96%0.05820%0.2CC..SBendtrans-93.2-21.8180-77.6157.3000114.6L447 L685 Q686 Y702 F704 I746L447-L749 HydrophobicContact CD1-CD2 4.43Å; L685-L749 HydrophobicContact CD1-CD1 4.19Å; L685-L749 HydrophobicContact CD1-CD2 4.46Å; L685-L749 HydrophobicContact CD2-CD1 3.74Å; L685-L749 HydrophobicContact CD2-CD2 3.37Å; L685-L749 HydrophobicContact CD2-CG 4.15Å; L685-L749 HydrophobicContact CG-CD1 3.84Å; L685-L749 HydrophobicContact CG-CD2 4.28Å; Q686-L749 HydrophobicContact CG-CD1 3.76Å; Y702-L749 HydrophobicContact CD1-CD2 4.36Å; Y702-L749 HydrophobicContact CD2-CD2 3.7Å; Y702-L749 HydrophobicContact CE1-CD2 4.15Å; Y702-L749 HydrophobicContact CE2-CB 4.04Å; Y702-L749 HydrophobicContact CE2-CD2 3.43Å; Y702-L749 VanDerWaalsContact CE2-CD2 3.43Å; Y702-L749 HydrophobicContact CE2-CG 4.3Å; Y702-L749 HydrophobicContact CG-CD2 4.16Å; Y702-L749 PolarHBondContact OH-O 2.81Å; F704-L749 HydrophobicContact CD2-CB 4.34Å; F704-L749 HydrophobicContact CE2-CB 4.37Å; I746-L749 HydrophobicContact CG2-CD2 4.36Å
750G66.3Low84.4Confident53 Ų5333.3 Ų33.355%0.54618%0.181SC..SBendtrans-87.5-17.5-17600000114.7
751T69.8Low84.3Confident54 Ų5436.7 Ų36.733%0.33120%0.198SC..  trans-92.2113.5-178.550.60000110.4K748K748-T751 WeakPolarHBondContact CB-OG1 3.42Å
752V73.3Confident84.3Confident34 Ų3437.1 Ų37.121%0.20620%0.2CC..  trans-80.1-29-178.3-179.20000112H445 G446 F1195H445-V752 WeakPolarHBondContact CD2-CG1 3.04Å; H445-V752 PolarHBondContact CD2-O 2.83Å; G446-V752 PolarHBondContact N-O 3.14Å; V752-F1195 HydrophobicContact CG1-CB 4.45Å
753F82Confident84.5Confident2 Ų235.3 Ų35.31%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-107.5133.5177.2-69.1-77.5000111.8L8 Q9 I428 L443 R444 H445 Y755 F1195L8-F753 HydrophobicContact CB-CE2 4.11Å; L8-F753 HydrophobicContact CB-CZ 4.26Å; Q9-F753 HydrophobicContact CB-CD2 4.28Å; Q9-F753 HydrophobicContact CB-CE2 4.18Å; I428-F753 HydrophobicContact CD1-CE1 3.94Å; I428-F753 HydrophobicContact CD1-CZ 4.14Å; L443-F753 HydrophobicContact CB-CB 4.45Å; L443-F753 HydrophobicContact CB-CD1 3.99Å; L443-F753 HydrophobicContact CB-CG 4.44Å; L443-F753 HydrophobicContact CD2-CB 4.49Å; R444-F753 WeakPolarHBondContact O-CA 3.46Å; H445-F753 HydrophobicContact CB-CD1 4.44Å; H445-F753 HydrophobicContact CB-CE1 4.26Å; F753-Y755 WeakPolarHBondContact O-CE2 3.23Å; F753-F1195 HydrophobicContact CE1-CD2 4.08Å; F753-F1195 AromaticContact CE1-CE2 3.56Å; F753-F1195 HydrophobicContact CE1-CE2 3.56Å; F753-F1195 HydrophobicContact CE1-CZ 4.27Å; F753-F1195 AromaticContact CZ-CD2 3.67Å; F753-F1195 HydrophobicContact CZ-CD2 3.67Å; F753-F1195 AromaticContact CZ-CE2 3.4Å; F753-F1195 HydrophobicContact CZ-CE2 3.4Å; F753-F1195 VanDerWaalsContact CZ-CE2 3.4Å; F753-F1195 HydrophobicContact CZ-CZ 4.48Å
754N82Confident84.7Confident7 Ų734.4 Ų34.44%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-89.2135.4166.6-70.6-32000110L443 R444 G446 L447 E448L443-N754 WeakPolarHBondContact CA-O 3.47Å; R444-N754 PolarHBondContact N-O 3.46Å; R444-N754 VanDerWaalsContact N-O 3.09Å; R444-N754 PolarHBondContact O-N 2.93Å; G446-N754 PolarHBondContact O-ND2 3.08Å; G446-N754 PolarHBondContact O-OD1 2.85Å; L447-N754 VanDerWaalsContact C-ND2 3.32Å; L447-N754 PolarHBondContact O-ND2 2.81Å; E448-N754 WeakPolarHBondContact CB-OD1 3.27Å; E448-N754 PolarHBondContact N-ND2 3.15Å; E448-N754 PolarHBondContact N-OD1 3.3Å
755Y81.1Confident84.8Confident48 Ų4837.8 Ų37.819%0.18820%0.201CC..EExtended strand (participates in β ladder)trans-98.6137.2178.7-55.4-95.5000109.8Q9 L407 L409 K441 L443 F753Q9-Y755 PolarHBondContact NE2-OH 3.3Å; Q9-Y755 PolarHBondContact OE1-OH 3.21Å; L407-Y755 HydrophobicContact CB-CD2 4.44Å; L407-Y755 HydrophobicContact CD1-CD2 3.56Å; L407-Y755 HydrophobicContact CD1-CE2 4.34Å; L407-Y755 HydrophobicContact CD1-CG 3.8Å; L409-Y755 HydrophobicContact CD1-CE1 3.94Å; L409-Y755 HydrophobicContact CD2-CD1 4.27Å; L409-Y755 HydrophobicContact CD2-CE1 4.01Å; L409-Y755 HydrophobicContact CG-CE1 3.84Å; K441-Y755 HydrophobicContact CD-CD1 4.45Å; L443-Y755 HydrophobicContact CD2-CD1 3.18Å; L443-Y755 HydrophobicContact CD2-CE1 3.31Å; L443-Y755 HydrophobicContact CD2-CG 4.03Å; F753-Y755 WeakPolarHBondContact O-CE2 3.23Å
756T87.5Confident85Confident33 Ų3339.2 Ų39.220%0.20221%0.206CC..EExtended strand (participates in β ladder)trans-126.2116.4161-54.20000106.9K441 V442 R444 R714 Y758K441-T756 CarbonylContact C-O 3.54Å; K441-T756 VanDerWaalsContact CA-O 3.29Å; K441-T756 WeakPolarHBondContact CA-O 3.37Å; V442-T756 PolarHBondContact N-O 3.49Å; V442-T756 PolarHBondContact O-N 3.34Å; R444-T756 PolarHBondContact NH1-OG1 3.41Å; R714-T756 PolarHBondContact NH1-OG1 3.25Å; T756-Y758 HydrophobicContact CG2-CE1 3.8Å
757S90.3Very high85.5Confident54 Ų5438.6 Ų38.638%0.37820%0.203SC..EExtended strand (participates in β ladder)trans-105.9129.9-172.3-540000110.7K441K441-S757 WeakPolarHBondContact CE-OG 3.28Å
758Y93.1Very high86.4Confident34 Ų3435.7 Ų35.713%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-115119.9173.1-53-52.7000109.7S439 M440 V442 T756 M847 V850 G852S439-Y758 CarbonylContact C-O 3.59Å; S439-Y758 WeakPolarHBondContact CA-O 3.4Å; S439-Y758 WeakPolarHBondContact CB-O 3.42Å; M440-Y758 PolarHBondContact N-O 3.24Å; M440-Y758 PolarHBondContact O-N 3.05Å; V442-Y758 HydrophobicContact CG2-CD2 4.42Å; V442-Y758 HydrophobicContact CG2-CE2 3.8Å; T756-Y758 HydrophobicContact CG2-CE1 3.8Å; Y758-M847 HydrophobicContact CD2-SD 4.13Å; Y758-M847 HydrophobicContact CG-SD 4.44Å; Y758-V850 PolarHBondContact OH-O 3.22Å; Y758-G852 VanDerWaalsContact CD1-CA 3.49Å; Y758-G852 VanDerWaalsContact CG-CA 3.47Å
759Q92.6Very high87.4Confident81 Ų8134 Ų3438%0.37919%0.187SC..EExtended strand (participates in β ladder)trans-66.4141.6-174-16364.11500112.6P436 S438 E828P436-Q759 PolarHBondContact O-NE2 2.85Å; S438-Q759 PolarHBondContact O-NE2 2.93Å; Q759-E828 WeakPolarHBondContact CG-OE1 3.45Å
760L93.1Very high88.3Confident1 Ų133.5 Ų33.51%0.00518%0.184CC..  trans-118.5162.1173.9-58.1176.1000109.8S438 P764 L778 M847S438-L760 WeakPolarHBondContact O-CB 3.42Å; S438-L760 PolarHBondContact O-N 2.88Å; L760-P764 HydrophobicContact CD1-CB 3.96Å; L760-P764 HydrophobicContact CD1-CG 3.89Å; L760-L778 HydrophobicContact CD1-CD1 4.25Å; L760-L778 HydrophobicContact CD2-CD1 4.2Å; L760-L778 HydrophobicContact CD2-CD2 4.27Å; L760-M847 HydrophobicContact CD2-CE 3.58Å
761N91.1Very high89.3Confident76 Ų7635.2 Ų35.241%0.40619%0.188SC..SBendtrans-90.7-29.2-176.4-64.523.2000112.3P436 E780 R845P436-N761 WeakPolarHBondContact CA-O 3.45Å; N761-E780 PolarHBondContact N-OE2 2.91Å; N761-R845 PolarHBondContact OD1-NH2 3.21Å
762R93.1Very high90.1Very high17 Ų1738.4 Ų38.46%0.06420%0.199CC..SBendtrans-141.3167.3-173.3-69.3179.8-164.8124.110.5110.5G435 S438 P764 E780 D782 D788 S842G435-R762 CarbonylContact O-C 3.58Å; G435-R762 VanDerWaalsContact O-C 3.32Å; G435-R762 VanDerWaalsContact O-CA 3.32Å; G435-R762 WeakPolarHBondContact O-CA 3.42Å; S438-R762 WeakPolarHBondContact CB-O 3.22Å; R762-P764 WeakPolarHBondContact O-CD 3.19Å; R762-E780 HydrophobicContact CB-CB 3.69Å; R762-E780 PolarHBondContact N-OE2 2.87Å; R762-E780 VanDerWaalsContact N-OE2 3.11Å; R762-D782 WeakPolarHBondContact CA-OD2 3.46Å; R762-D782 WeakPolarHBondContact CB-OD2 3.42Å; R762-D788 IonicContact NH2-OD1 3.62Å; R762-D788 PolarHBondContact NH2-OD1 2.89Å; R762-D788 IonicContact NH2-OD2 2.93Å; R762-D788 PolarHBondContact NH2-OD2 2.58Å; R762-S842 PolarHBondContact NH1-O 3.45Å
763T96.4Very high90.9Very high2 Ų238.3 Ų38.31%0.01220%0.2CC..  trans-60.3117.8180-54.70000111.8L413 R434 G435 S438 E780 T781 D782L413-T763 HydrophobicContact CD1-CG2 3.22Å; R434-T763 PolarHBondContact NH1-OG1 2.82Å; G435-T763 PolarHBondContact N-OG1 2.84Å; S438-T763 WeakPolarHBondContact OG-CA 3.35Å; T763-E780 CarbonylContact O-C 3.57Å; T763-E780 WeakPolarHBondContact O-CA 3.19Å; T763-T781 PolarHBondContact O-N 2.62Å; T763-D782 VanDerWaalsContact CB-OD1 3.23Å; T763-D782 WeakPolarHBondContact CB-OD1 3.26Å; T763-D782 PolarHBondContact N-OD2 2.93Å; T763-D782 PolarHBondContact OG1-OD1 3.05Å
764P96.3Very high91.3Very high1 Ų140.3 Ų40.31%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-69.7143.6176.728.8-34.5000110.9L413 A431 S438 L760 R762 L778 I779L413-P764 HydrophobicContact CD1-CG 4.42Å; L413-P764 WeakPolarHBondContact CD1-O 3.01Å; A431-P764 HydrophobicContact CB-CB 3.8Å; A431-P764 HydrophobicContact CB-CG 3.79Å; S438-P764 VanDerWaalsContact OG-CD 3.27Å; S438-P764 WeakPolarHBondContact OG-CD 2.84Å; L760-P764 HydrophobicContact CD1-CB 3.96Å; L760-P764 HydrophobicContact CD1-CG 3.89Å; R762-P764 WeakPolarHBondContact O-CD 3.19Å; P764-L778 HydrophobicContact CB-CD1 4.44Å; P764-I779 CarbonylContact C-O 3.49Å; P764-I779 WeakPolarHBondContact CA-O 3.01Å
765R94.9Very high91.9Very high76 Ų7640.8 Ų40.829%0.28721%0.213SC..EExtended strand (participates in β ladder)trans-108.9-47.9178.1-62.2-62.4173.7-153-3.1112.9I779 T781R765-I779 HydrophobicContact CB-CD1 3.87Å; R765-I779 HydrophobicContact CB-CG1 4.07Å; R765-I779 PolarHBondContact N-O 2.92Å; R765-T781 VanDerWaalsContact CZ-O 3.28Å; R765-T781 PolarHBondContact NE-O 3.09Å; R765-T781 VanDerWaalsContact NE-O 3.12Å; R765-T781 PolarHBondContact NH2-O 2.69Å
766K94.2Very high92.5Very high64 Ų6438.5 Ų38.528%0.27820%0.204SC..EExtended strand (participates in β ladder)trans-155.5149.1179.9-169.1172.3-176.4-177.20108.8L778 I779K766-L778 WeakPolarHBondContact O-CA 3.23Å; K766-I779 HydrophobicContact CB-CD1 4.25Å; K766-I779 HydrophobicContact CB-CG1 4.21Å; K766-I779 VanDerWaalsContact O-CG1 3.27Å; K766-I779 WeakPolarHBondContact O-CG1 3.49Å; K766-I779 PolarHBondContact O-N 3.03Å
767F95.4Very high92.8Very high1 Ų137 Ų370%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-132.8161.1169.171.6-90000110.7S414 E416 Y429 A431 M440 I776 M777 L778S414-F767 WeakPolarHBondContact OG-CD1 3.36Å; E416-F767 HydrophobicContact CB-CE2 3.57Å; E416-F767 HydrophobicContact CB-CZ 3.54Å; E416-F767 HydrophobicContact CG-CD2 4.3Å; E416-F767 HydrophobicContact CG-CE1 4.44Å; E416-F767 HydrophobicContact CG-CE2 3.54Å; E416-F767 HydrophobicContact CG-CZ 3.62Å; Y429-F767 WeakPolarHBondContact O-CZ 3.34Å; A431-F767 HydrophobicContact CB-CD1 3.84Å; A431-F767 HydrophobicContact CB-CE1 4.01Å; M440-F767 HydrophobicContact CE-CB 4.36Å; M440-F767 HydrophobicContact CE-CD1 3.98Å; M440-F767 HydrophobicContact CE-CD2 4.32Å; M440-F767 HydrophobicContact CE-CE1 4.3Å; M440-F767 HydrophobicContact CE-CG 3.99Å; M440-F767 HydrophobicContact SD-CE1 4.43Å; F767-I776 HydrophobicContact CB-CG2 3.86Å; F767-I776 HydrophobicContact CD2-CG2 3.65Å; F767-I776 HydrophobicContact CE2-CG2 4.49Å; F767-I776 HydrophobicContact CG-CG2 4.05Å; F767-M777 CarbonylContact C-O 3.59Å; F767-M777 WeakPolarHBondContact CA-O 3.34Å; F767-M777 WeakPolarHBondContact CB-O 3.49Å; F767-L778 HydrophobicContact CB-CB 3.47Å; F767-L778 VanDerWaalsContact CB-CB 3.47Å
768V94.3Very high93.1Very high23 Ų2334.4 Ų34.414%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-138.3146.3177.6-65.30000108.8M777 L869 I871 L883V768-M777 HydrophobicContact CG2-CB 4.09Å; V768-M777 PolarHBondContact N-O 2.85Å; V768-M777 PolarHBondContact O-N 3.43Å; V768-L869 HydrophobicContact CG1-CD2 4.37Å; V768-L869 HydrophobicContact CG1-CG 4.35Å; V768-L869 HydrophobicContact CG2-CD2 3.7Å; V768-L869 HydrophobicContact CG2-CG 3.91Å; V768-I871 HydrophobicContact CB-CD1 4.35Å; V768-I871 HydrophobicContact CG2-CD1 3.74Å; V768-I871 HydrophobicContact CG2-CG1 3.73Å; V768-L883 HydrophobicContact CG2-CD1 4.17Å
769V93.6Very high93.3Very high42 Ų4232.8 Ų32.826%0.25517%0.171SC..EExtended strand (participates in β ladder)trans-97.1129.1177.3-179.10000108.9L420 S771 I776L420-V769 HydrophobicContact CD1-CG1 4.22Å; L420-V769 HydrophobicContact CD1-CG2 4.09Å; L420-V769 HydrophobicContact CD2-CG1 3.68Å; V769-S771 PolarHBondContact O-N 2.81Å; V769-I776 HydrophobicContact CG2-CG1 4.47Å
770H92.9Very high93.5Very high1 Ų129 Ų291%0.00515%0.153CC..  trans-76.3121172.1-177.1-130.4000109.9E772 S773 L774 N775 M777 I871 H881H770-E772 VanDerWaalsContact C-N 3.27Å; H770-E772 PolarHBondContact O-N 3.44Å; H770-S773 PolarHBondContact ND1-N 2.69Å; H770-S773 PolarHBondContact ND1-OG 3.11Å; H770-L774 WeakPolarHBondContact O-CA 3.23Å; H770-L774 PolarHBondContact O-N 3.16Å; H770-N775 PolarHBondContact N-O 3.26Å; H770-M777 HydrophobicContact CB-CE 4.18Å; H770-I871 HydrophobicContact CB-CD1 3.96Å; H770-H881 AromaticContact NE2-CD2 3.66Å; H770-H881 AromaticContact NE2-CG 3.7Å
771S87.9Confident93.6Very high89 Ų8929 Ų2962%0.62215%0.152SC*.THydrogen-bonded Turntrans-63.4-28-171.551.90000114.7V769V769-S771 PolarHBondContact O-N 2.81Å
772E87.9Confident93.8Very high120 Ų12025.9 Ų25.956%0.56114%0.136SC*.THydrogen-bonded Turntrans-88.7-47.7-176.1-64.2179.6-17800112.8H770 H881H770-E772 VanDerWaalsContact C-N 3.27Å; H770-E772 PolarHBondContact O-N 3.44Å; E772-H881 IonicContact OE1-CD2 3.53Å; E772-H881 IonicContact OE1-CE1 3.34Å; E772-H881 IonicContact OE1-NE2 2.93Å; E772-H881 PolarHBondContact OE1-NE2 2.94Å; E772-H881 IonicContact OE2-CD2 3.87Å; E772-H881 IonicContact OE2-NE2 2.96Å
773S88.9Confident93.8Very high33 Ų3327.1 Ų27.123%0.23114%0.143CC..THydrogen-bonded Turntrans-91.7-11.1-178.669.10000113.8H770 N775 A911H770-S773 PolarHBondContact ND1-N 2.69Å; H770-S773 PolarHBondContact ND1-OG 3.11Å; S773-N775 PolarHBondContact O-N 2.88Å; S773-N775 PolarHBondContact OG-N 2.98Å; S773-N775 PolarHBondContact OG-ND2 3.25Å; S773-A911 WeakPolarHBondContact CB-O 3.45Å
774L91.5Very high93.5Very high43 Ų4329.2 Ų29.223%0.22515%0.154CC..  trans59.77.8-172.9-53.5177.8000114.5L420 F422 H770 P849L420-L774 HydrophobicContact CD2-CB 4.4Å; L420-L774 HydrophobicContact CD2-CD2 4.2Å; F422-L774 HydrophobicContact CE2-CD1 3.66Å; F422-L774 HydrophobicContact CZ-CD1 3.55Å; H770-L774 WeakPolarHBondContact O-CA 3.23Å; H770-L774 PolarHBondContact O-N 3.16Å; L774-P849 WeakPolarHBondContact O-CG 3.43Å
775N93.2Very high93.2Very high17 Ų1730 Ų309%0.09116%0.16CC..  trans-68.5147.6176.5-68-28.3000111.2H770 S773 I846 L855 G912H770-N775 PolarHBondContact N-O 3.26Å; S773-N775 PolarHBondContact O-N 2.88Å; S773-N775 PolarHBondContact OG-N 2.98Å; S773-N775 PolarHBondContact OG-ND2 3.25Å; N775-I846 HydrophobicContact CB-CG2 4.24Å; N775-L855 WeakPolarHBondContact ND2-CD1 3.49Å; N775-G912 PolarHBondContact ND2-O 2.85Å
776I94Very high93Very high1 Ų127.5 Ų27.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-92.2127.6176.9-62.2170.7000108.9L420 Y429 M440 F767 V769 L778 I846 M847 P849L420-I776 HydrophobicContact CD1-CD1 4.35Å; L420-I776 HydrophobicContact CD1-CG1 4.29Å; Y429-I776 HydrophobicContact CD1-CD1 3.8Å; Y429-I776 HydrophobicContact CE1-CD1 4.31Å; Y429-I776 HydrophobicContact CG-CD1 4.43Å; M440-I776 HydrophobicContact CE-CD1 4.34Å; M440-I776 HydrophobicContact CE-CG2 3.79Å; F767-I776 HydrophobicContact CB-CG2 3.86Å; F767-I776 HydrophobicContact CD2-CG2 3.65Å; F767-I776 HydrophobicContact CE2-CG2 4.49Å; F767-I776 HydrophobicContact CG-CG2 4.05Å; V769-I776 HydrophobicContact CG2-CG1 4.47Å; I776-L778 HydrophobicContact CG2-CD2 4.28Å; I776-I846 CarbonylContact O-C 3.55Å; I776-I846 WeakPolarHBondContact O-CA 3.5Å; I776-M847 PolarHBondContact N-O 3Å; I776-M847 PolarHBondContact O-N 2.8Å; I776-P849 HydrophobicContact CD1-CB 3.88Å; I776-P849 HydrophobicContact CG1-CB 4.26Å
777M95Very high92.9Very high0 Ų025 Ų250%014%0.141CC..EExtended strand (participates in β ladder)trans-110.2125.4169.9-58.2179.1-177.700108.3F767 V768 H770 R845 I846 L869 I871 L883 I908 L915F767-M777 CarbonylContact C-O 3.59Å; F767-M777 WeakPolarHBondContact CA-O 3.34Å; F767-M777 WeakPolarHBondContact CB-O 3.49Å; V768-M777 HydrophobicContact CG2-CB 4.09Å; V768-M777 PolarHBondContact N-O 2.85Å; V768-M777 PolarHBondContact O-N 3.43Å; H770-M777 HydrophobicContact CB-CE 4.18Å; M777-R845 WeakPolarHBondContact CA-O 3.25Å; M777-I846 HydrophobicContact CG-CG1 4.33Å; M777-I846 HydrophobicContact CG-CG2 4.38Å; M777-L869 WeakPolarHBondContact O-CD2 3.12Å; M777-I871 HydrophobicContact SD-CD1 4.12Å; M777-I871 HydrophobicContact SD-CG1 4.43Å; M777-L883 HydrophobicContact CB-CD1 4.35Å; M777-L883 HydrophobicContact CB-CD2 4.43Å; M777-L883 HydrophobicContact SD-CD1 3.79Å; M777-L883 HydrophobicContact SD-CD2 3.96Å; M777-L883 HydrophobicContact SD-CG 4.31Å; M777-I908 HydrophobicContact CE-CD1 3.95Å; M777-I908 HydrophobicContact CE-CG1 3.99Å; M777-I908 HydrophobicContact CE-CG2 3.7Å; M777-I908 HydrophobicContact SD-CD1 4Å; M777-I908 HydrophobicContact SD-CG1 4.29Å; M777-L915 HydrophobicContact SD-CD2 4.36Å
778L95.9Very high92.4Very high1 Ų128.8 Ų28.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-135152.6-174.572.1108.2000112.3M440 L760 P764 K766 F767 I776 E780 V844 R845 M847M440-L778 HydrophobicContact CE-CD2 4Å; L760-L778 HydrophobicContact CD1-CD1 4.25Å; L760-L778 HydrophobicContact CD2-CD1 4.2Å; L760-L778 HydrophobicContact CD2-CD2 4.27Å; P764-L778 HydrophobicContact CB-CD1 4.44Å; K766-L778 WeakPolarHBondContact O-CA 3.23Å; F767-L778 HydrophobicContact CB-CB 3.47Å; F767-L778 VanDerWaalsContact CB-CB 3.47Å; I776-L778 HydrophobicContact CG2-CD2 4.28Å; L778-E780 HydrophobicContact CD1-CG 3.45Å; L778-E780 VanDerWaalsContact CD1-CG 3.45Å; L778-V844 WeakPolarHBondContact O-CA 3.37Å; L778-R845 HydrophobicContact CD1-CB 4.37Å; L778-R845 HydrophobicContact CD2-CB 4.37Å; L778-R845 HydrophobicContact CG-CB 4.05Å; L778-R845 PolarHBondContact N-O 2.96Å; L778-R845 PolarHBondContact O-N 3.28Å; L778-M847 HydrophobicContact CD2-CB 4.47Å
779I96.9Very high92.2Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-108.2132.4173.948.2162.4000110.4P764 R765 K766 A843 V844 A866 L869 V885P764-I779 CarbonylContact C-O 3.49Å; P764-I779 WeakPolarHBondContact CA-O 3.01Å; R765-I779 HydrophobicContact CB-CD1 3.87Å; R765-I779 HydrophobicContact CB-CG1 4.07Å; R765-I779 PolarHBondContact N-O 2.92Å; K766-I779 HydrophobicContact CB-CD1 4.25Å; K766-I779 HydrophobicContact CB-CG1 4.21Å; K766-I779 VanDerWaalsContact O-CG1 3.27Å; K766-I779 WeakPolarHBondContact O-CG1 3.49Å; K766-I779 PolarHBondContact O-N 3.03Å; I779-A843 WeakPolarHBondContact CA-O 3.43Å; I779-V844 HydrophobicContact CG2-CG2 3.92Å; I779-A866 HydrophobicContact CB-CB 4.05Å; I779-A866 HydrophobicContact CD1-CB 4.19Å; I779-A866 HydrophobicContact CG2-CB 4Å; I779-L869 HydrophobicContact CD1-CB 4.33Å; I779-L869 HydrophobicContact CG1-CB 4.3Å; I779-L869 HydrophobicContact CG2-CB 4.44Å; I779-L869 HydrophobicContact CG2-CD1 3.96Å; I779-L869 HydrophobicContact CG2-CD2 4.31Å; I779-L869 HydrophobicContact CG2-CG 4.49Å; I779-V885 HydrophobicContact CG2-CG1 3.95Å
780E96.4Very high91.9Very high1 Ų135.1 Ų35.11%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-114.6132.2176.6-49.2174.2-163.600108.7N761 R762 T763 L778 S842 A843 R845N761-E780 PolarHBondContact N-OE2 2.91Å; R762-E780 HydrophobicContact CB-CB 3.69Å; R762-E780 PolarHBondContact N-OE2 2.87Å; R762-E780 VanDerWaalsContact N-OE2 3.11Å; T763-E780 CarbonylContact O-C 3.57Å; T763-E780 WeakPolarHBondContact O-CA 3.19Å; L778-E780 HydrophobicContact CD1-CG 3.45Å; L778-E780 VanDerWaalsContact CD1-CG 3.45Å; E780-S842 CarbonylContact O-C 3.5Å; E780-S842 WeakPolarHBondContact O-CA 3.1Å; E780-S842 PolarHBondContact O-OG 2.96Å; E780-S842 VanDerWaalsContact O-OG 3.11Å; E780-A843 PolarHBondContact N-O 3.46Å; E780-A843 PolarHBondContact O-N 2.85Å; E780-R845 IonicContact OE1-CZ 3.12Å; E780-R845 IonicContact OE1-NE 3.77Å; E780-R845 PolarHBondContact OE1-NE 2.89Å; E780-R845 IonicContact OE1-NH2 3.76Å; E780-R845 PolarHBondContact OE1-NH2 3.42Å; E780-R845 IonicContact OE2-NH2 3.41Å
781T96.1Very high91.6Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-151.4124.2-176.9-64.60000111.6T763 R765 W840 A841 S842 A865 A866T763-T781 PolarHBondContact O-N 2.62Å; R765-T781 VanDerWaalsContact CZ-O 3.28Å; R765-T781 PolarHBondContact NE-O 3.09Å; R765-T781 VanDerWaalsContact NE-O 3.12Å; R765-T781 PolarHBondContact NH2-O 2.69Å; T781-W840 HydrophobicContact CG2-CE3 3.68Å; T781-W840 HydrophobicContact CG2-CZ3 3.96Å; T781-A841 WeakPolarHBondContact CA-O 3.11Å; T781-S842 WeakPolarHBondContact OG1-CB 3.4Å; T781-S842 PolarHBondContact OG1-OG 2.97Å; T781-A865 HydrophobicContact CG2-CB 3.77Å; T781-A866 PolarHBondContact OG1-N 2.92Å; T781-A866 PolarHBondContact OG1-O 3.28Å
782D94.7Very high91.5Very high11 Ų1137.7 Ų37.76%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-119.4144.1176.6-83.8-48.4000113.6R434 G435 R762 T763 A785 W840 A841R434-D782 IonicContact CZ-OD1 3.42Å; R434-D782 IonicContact NH1-OD1 3.79Å; R434-D782 PolarHBondContact NH1-OD1 2.89Å; G435-D782 WeakPolarHBondContact CA-OD2 3.39Å; R762-D782 WeakPolarHBondContact CA-OD2 3.46Å; R762-D782 WeakPolarHBondContact CB-OD2 3.42Å; T763-D782 VanDerWaalsContact CB-OD1 3.23Å; T763-D782 WeakPolarHBondContact CB-OD1 3.26Å; T763-D782 PolarHBondContact N-OD2 2.93Å; T763-D782 PolarHBondContact OG1-OD1 3.05Å; D782-A785 HydrophobicContact CB-CB 3.7Å; D782-W840 WeakPolarHBondContact O-CA 3.43Å; D782-W840 VanDerWaalsContact O-CE3 3.26Å; D782-A841 PolarHBondContact N-O 2.8Å; D782-A841 PolarHBondContact O-N 3.27Å; D782-A841 VanDerWaalsContact O-N 3.12Å
783H92.9Very high91.5Very high44 Ų4435.9 Ų35.920%0.20418%0.18CC..EExtended strand (participates in β ladder)trans-91.8148.6171.9-170.740.1000110.2A785 M839 W840H783-A785 PolarHBondContact O-N 2.79Å; H783-M839 PolarHBondContact ND1-O 3.42Å; H783-W840 HydrophobicContact CB-CD2 4.22Å; H783-W840 HydrophobicContact CB-CE3 3.94Å; H783-W840 HydrophobicContact CB-CH2 3.61Å; H783-W840 HydrophobicContact CB-CZ2 3.9Å; H783-W840 HydrophobicContact CB-CZ3 3.63Å; H783-W840 AromaticContact CE1-CE2 3.78Å; H783-W840 AromaticContact CE1-CZ2 3.8Å; H783-W840 AromaticContact CE1-NE1 3.68Å; H783-W840 AromaticContact CG-CE2 3.84Å; H783-W840 AromaticContact CG-CH2 3.82Å; H783-W840 AromaticContact CG-CZ2 3.59Å; H783-W840 AromaticContact ND1-CD1 4Å; H783-W840 AromaticContact ND1-CD2 3.68Å; H783-W840 AromaticContact ND1-CE2 3.06Å; H783-W840 AromaticContact ND1-CH2 3.89Å; H783-W840 AromaticContact ND1-CZ2 3.2Å; H783-W840 WeakPolarHBondContact ND1-CZ2 3.4Å; H783-W840 AromaticContact ND1-NE1 3.26Å; H783-W840 PolarHBondContact ND1-NE1 3.11Å
784N90.6Very high91.3Very high46 Ų4637.8 Ų37.825%0.24618%0.184CC..SBendtrans55.338.5-175.6-60.1-8.8000111.9R834 A835 G836 S837 M839N784-R834 CarbonylContact O-C 3.14Å; N784-R834 VanDerWaalsContact O-CA 3.3Å; N784-R834 WeakPolarHBondContact O-CA 3.48Å; N784-A835 PolarHBondContact O-N 2.72Å; N784-G836 PolarHBondContact OD1-O 2.7Å; N784-S837 WeakPolarHBondContact OD1-CA 3.41Å; N784-M839 PolarHBondContact N-O 3.4Å
785A90.6Very high90.8Very high16 Ų1638 Ų3813%0.13218%0.183CC..BIsolated β-bridgetrans-125.5145.7-17800000111.2D782 H783 W840 A841 Q862D782-A785 HydrophobicContact CB-CB 3.7Å; H783-A785 PolarHBondContact O-N 2.79Å; A785-W840 CarbonylContact O-C 3.52Å; A785-A841 HydrophobicContact CB-CB 3.98Å; A785-Q862 PolarHBondContact O-NE2 3.01Å
786F89.8Confident90.3Very high25 Ų2543 Ų4311%0.1120%0.204CC..  trans-86.5146.2171-68-63.8000111.1A281 M790 L791 K794 A835 A841A281-F786 WeakPolarHBondContact O-CE2 3.03Å; F786-M790 HydrophobicContact CD1-CB 4.25Å; F786-M790 HydrophobicContact CD1-CG 3.77Å; F786-M790 HydrophobicContact CE1-CG 4.27Å; F786-L791 HydrophobicContact CB-CB 4.01Å; F786-L791 HydrophobicContact CD2-CD1 4.16Å; F786-K794 HydrophobicContact CE1-CG 4.38Å; F786-K794 HydrophobicContact CZ-CG 4.4Å; F786-A835 HydrophobicContact CD1-CB 3.52Å; F786-A835 HydrophobicContact CD2-CB 3.61Å; F786-A835 HydrophobicContact CE1-CB 3.39Å; F786-A835 HydrophobicContact CE2-CB 3.48Å; F786-A835 VanDerWaalsContact CE2-CB 3.48Å; F786-A835 HydrophobicContact CG-CB 3.64Å; F786-A835 HydrophobicContact CZ-CB 3.37Å; F786-A841 WeakPolarHBondContact O-CB 3.19Å
787T91.7Very high89.9Confident11 Ų1147.5 Ų47.57%0.06723%0.225CC..  trans-69.3153.1158.955.90000109.8K789 M790 L791 A841 Q862T787-K789 PolarHBondContact O-N 3.08Å; T787-M790 PolarHBondContact O-N 3Å; T787-M790 WeakPolarHBondContact OG1-CB 3.23Å; T787-M790 PolarHBondContact OG1-N 2.88Å; T787-L791 PolarHBondContact O-N 2.8Å; T787-A841 HydrophobicContact CG2-CB 4.01Å; T787-Q862 HydrophobicContact CG2-CB 4.43Å; T787-Q862 PolarHBondContact OG1-OE1 3.35Å; T787-Q862 VanDerWaalsContact OG1-OE1 3.08Å
788D86.7Confident89Confident80 Ų8049.1 Ų49.143%0.42823%0.233SC..Hα-helixtrans-59.9-34.5-175.2-47.4-33.7000111.5R762 Q792R762-D788 IonicContact NH2-OD1 3.62Å; R762-D788 PolarHBondContact NH2-OD1 2.89Å; R762-D788 IonicContact NH2-OD2 2.93Å; R762-D788 PolarHBondContact NH2-OD2 2.58Å; D788-Q792 WeakPolarHBondContact O-CG 3.39Å; D788-Q792 PolarHBondContact O-N 2.9Å; D788-Q792 VanDerWaalsContact O-N 3.1Å
789K89.3Confident88.1Confident149 Ų14951.4 Ų51.465%0.64824%0.244SC*.Hα-helixtrans-62.4-49.9173.3-174.5-177174.7-170.20112.2T787 L791 Q792 E793T787-K789 PolarHBondContact O-N 3.08Å; K789-L791 VanDerWaalsContact C-N 3.33Å; K789-L791 PolarHBondContact O-N 3.12Å; K789-Q792 PolarHBondContact O-N 2.87Å; K789-E793 VanDerWaalsContact CE-OE1 3.29Å; K789-E793 WeakPolarHBondContact CE-OE1 3.36Å; K789-E793 WeakPolarHBondContact O-CG 3.46Å; K789-E793 PolarHBondContact O-N 2.75Å; K789-E793 VanDerWaalsContact O-N 3.09Å
790M88.2Confident87.4Confident49 Ų4957.8 Ų57.824%0.24127%0.273CS..Hα-helixtrans-67-36.8-179.2-167.571.9-16400111.5F786 T787 E793 K794F786-M790 HydrophobicContact CD1-CB 4.25Å; F786-M790 HydrophobicContact CD1-CG 3.77Å; F786-M790 HydrophobicContact CE1-CG 4.27Å; T787-M790 PolarHBondContact O-N 3Å; T787-M790 WeakPolarHBondContact OG1-CB 3.23Å; T787-M790 PolarHBondContact OG1-N 2.88Å; M790-E793 PolarHBondContact O-N 2.89Å; M790-K794 HydrophobicContact CE-CG 4.38Å; M790-K794 WeakPolarHBondContact O-CB 3.33Å; M790-K794 WeakPolarHBondContact O-CG 3.41Å; M790-K794 PolarHBondContact O-N 3.16Å
791L86.1Confident86.5Confident37 Ų3760.1 Ų60.119%0.19429%0.293CS..Hα-helixtrans-62.6-43.6176.4-178.262.3000111.4A281 F786 T787 K789 E793 K794 K795 P833A281-L791 HydrophobicContact CB-CD1 4.47Å; F786-L791 HydrophobicContact CB-CB 4.01Å; F786-L791 HydrophobicContact CD2-CD1 4.16Å; T787-L791 PolarHBondContact O-N 2.8Å; K789-L791 VanDerWaalsContact C-N 3.33Å; K789-L791 PolarHBondContact O-N 3.12Å; L791-E793 VanDerWaalsContact C-N 3.34Å; L791-K794 PolarHBondContact O-N 3.12Å; L791-K795 WeakPolarHBondContact O-CG 3.46Å; L791-K795 PolarHBondContact O-N 3.38Å; L791-P833 HydrophobicContact CD1-CB 4.43Å; L791-P833 HydrophobicContact CD1-CG 4.22Å
792Q85.4Confident85.4Confident107 Ų10761.7 Ų61.750%0.530%0.301SS..Hα-helixtrans-64.1-38.8175.5-73.2176.91.800112.4D788 K789 K796D788-Q792 WeakPolarHBondContact O-CG 3.39Å; D788-Q792 PolarHBondContact O-N 2.9Å; D788-Q792 VanDerWaalsContact O-N 3.1Å; K789-Q792 PolarHBondContact O-N 2.87Å; Q792-K796 VanDerWaalsContact O-CG 3.31Å; Q792-K796 WeakPolarHBondContact O-CG 3.39Å; Q792-K796 PolarHBondContact O-N 3Å; Q792-K796 VanDerWaalsContact O-N 3.14Å
793E87.4Confident84.5Confident83 Ų8363.5 Ų63.539%0.38831%0.31SS..Hα-helixtrans-62.8-47174.4-72.1171.5-176.200110.8K789 M790 L791 K795 K796 E797K789-E793 VanDerWaalsContact CE-OE1 3.29Å; K789-E793 WeakPolarHBondContact CE-OE1 3.36Å; K789-E793 WeakPolarHBondContact O-CG 3.46Å; K789-E793 PolarHBondContact O-N 2.75Å; K789-E793 VanDerWaalsContact O-N 3.09Å; M790-E793 PolarHBondContact O-N 2.89Å; L791-E793 VanDerWaalsContact C-N 3.34Å; E793-K795 PolarHBondContact O-N 2.58Å; E793-K796 WeakPolarHBondContact O-CB 3.35Å; E793-K796 PolarHBondContact O-N 2.93Å; E793-E797 WeakPolarHBondContact O-CG 3.37Å; E793-E797 PolarHBondContact O-N 2.87Å
794K84.2Confident83.8Confident73 Ų7363.9 Ų63.932%0.31732%0.321SS..Hα-helixtrans-63-41177.6-77.9-75.1164.4-155.10113.7A281 F786 M790 L791 K796 E797 M798A281-K794 HydrophobicContact CB-CB 4.29Å; F786-K794 HydrophobicContact CE1-CG 4.38Å; F786-K794 HydrophobicContact CZ-CG 4.4Å; M790-K794 HydrophobicContact CE-CG 4.38Å; M790-K794 WeakPolarHBondContact O-CB 3.33Å; M790-K794 WeakPolarHBondContact O-CG 3.41Å; M790-K794 PolarHBondContact O-N 3.16Å; L791-K794 PolarHBondContact O-N 3.12Å; K794-K796 VanDerWaalsContact C-N 3.31Å; K794-K796 PolarHBondContact O-N 2.78Å; K794-E797 WeakPolarHBondContact CD-OE2 3.45Å; K794-E797 WeakPolarHBondContact CE-OE2 3.22Å; K794-E797 IonicContact NZ-OE2 3.46Å; K794-E797 PolarHBondContact NZ-OE2 3.1Å; K794-E797 PolarHBondContact O-N 2.61Å; K794-M798 WeakPolarHBondContact O-CB 3.37Å; K794-M798 PolarHBondContact O-N 3.35Å
795K82Confident83Confident48 Ų4865.9 Ų65.921%0.20933%0.331CS..Hα-helixtrans-61.2-40.9174.4-77-174.6175.2-168.40111.7L791 E793 M798 E799L791-K795 WeakPolarHBondContact O-CG 3.46Å; L791-K795 PolarHBondContact O-N 3.38Å; E793-K795 PolarHBondContact O-N 2.58Å; K795-M798 PolarHBondContact O-N 3.5Å; K795-E799 WeakPolarHBondContact O-CB 3.34Å; K795-E799 PolarHBondContact O-N 3.12Å
796K83.4Confident81.9Confident122 Ų12266 Ų6653%0.5333%0.334SS..Hα-helixtrans-66.4-40.1175.7-72.2171.8-177.8175.60112.2Q792 E793 K794 M798 E799 Q800Q792-K796 VanDerWaalsContact O-CG 3.31Å; Q792-K796 WeakPolarHBondContact O-CG 3.39Å; Q792-K796 PolarHBondContact O-N 3Å; Q792-K796 VanDerWaalsContact O-N 3.14Å; E793-K796 WeakPolarHBondContact O-CB 3.35Å; E793-K796 PolarHBondContact O-N 2.93Å; K794-K796 VanDerWaalsContact C-N 3.31Å; K794-K796 PolarHBondContact O-N 2.78Å; K796-M798 VanDerWaalsContact C-N 3.33Å; K796-E799 PolarHBondContact O-N 2.87Å; K796-Q800 WeakPolarHBondContact O-CB 3.12Å; K796-Q800 VanDerWaalsContact O-CG 3.25Å; K796-Q800 WeakPolarHBondContact O-CG 3.07Å; K796-Q800 PolarHBondContact O-N 3.42Å
797E84.2Confident80.9Confident94 Ų9472.4 Ų72.444%0.43936%0.364SS..Hα-helixtrans-60.3-44.3173.9-72.4175.4-178.900111.2E793 K794 Q800 A801E793-E797 WeakPolarHBondContact O-CG 3.37Å; E793-E797 PolarHBondContact O-N 2.87Å; K794-E797 WeakPolarHBondContact CD-OE2 3.45Å; K794-E797 WeakPolarHBondContact CE-OE2 3.22Å; K794-E797 IonicContact NZ-OE2 3.46Å; K794-E797 PolarHBondContact NZ-OE2 3.1Å; K794-E797 PolarHBondContact O-N 2.61Å; E797-Q800 PolarHBondContact O-N 2.81Å; E797-A801 WeakPolarHBondContact O-CB 3.23Å; E797-A801 PolarHBondContact O-N 2.99Å
798M77.4Confident79.5Confident35 Ų3579.9 Ų79.917%0.17240%0.398CS..Hα-helixtrans-65.9-42.7177.9-172.2172.875.900112.3S279 K794 K795 K796 Q800 A801 I802 F817 C821S279-M798 WeakPolarHBondContact O-CE 3.43Å; K794-M798 WeakPolarHBondContact O-CB 3.37Å; K794-M798 PolarHBondContact O-N 3.35Å; K795-M798 PolarHBondContact O-N 3.5Å; K796-M798 VanDerWaalsContact C-N 3.33Å; M798-Q800 VanDerWaalsContact C-N 3.31Å; M798-Q800 PolarHBondContact O-N 3.25Å; M798-A801 PolarHBondContact O-N 2.89Å; M798-I802 HydrophobicContact CG-CD1 4.07Å; M798-I802 PolarHBondContact O-N 2.7Å; M798-F817 HydrophobicContact CE-CE1 4.41Å; M798-F817 HydrophobicContact CE-CZ 4.08Å; M798-F817 HydrophobicContact CG-CE1 4.44Å; M798-F817 HydrophobicContact CG-CZ 4.37Å; M798-F817 HydrophobicContact SD-CZ 4.48Å; M798-C821 WeakPolarHBondContact CE-SG 3.47Å
799E76.7Confident78.2Confident49 Ų4980.5 Ų80.523%0.22940%0.401CS..Hα-helixtrans-58.7-44.7173.7-173.6-175.6177.200110.8K795 K796 I802 I803 K818K795-E799 WeakPolarHBondContact O-CB 3.34Å; K795-E799 PolarHBondContact O-N 3.12Å; K796-E799 PolarHBondContact O-N 2.87Å; E799-I802 PolarHBondContact O-N 2.88Å; E799-I803 HydrophobicContact CG-CD1 3.96Å; E799-I803 WeakPolarHBondContact O-CD1 3.26Å; E799-I803 WeakPolarHBondContact O-CG1 3.15Å; E799-I803 PolarHBondContact O-N 2.9Å; E799-K818 HydrophobicContact CG-CG 4.25Å
800Q81.2Confident76.7Confident133 Ų13379.3 Ų79.362%0.62141%0.412SS*.Hα-helixtrans-65.3-42177.4-73.4173.75.900112.6K796 E797 M798 I802 I803 A804K796-Q800 WeakPolarHBondContact O-CB 3.12Å; K796-Q800 VanDerWaalsContact O-CG 3.25Å; K796-Q800 WeakPolarHBondContact O-CG 3.07Å; K796-Q800 PolarHBondContact O-N 3.42Å; E797-Q800 PolarHBondContact O-N 2.81Å; M798-Q800 VanDerWaalsContact C-N 3.31Å; M798-Q800 PolarHBondContact O-N 3.25Å; Q800-I802 VanDerWaalsContact C-N 3.26Å; Q800-I802 PolarHBondContact O-N 3.27Å; Q800-I803 PolarHBondContact O-N 2.79Å; Q800-A804 PolarHBondContact O-N 2.87Å
801A79Confident75.3Confident50 Ų5082.6 Ų82.641%0.41344%0.435SS..Hα-helixtrans-60.7-39.1176.900000111.4E797 M798 A804 L805E797-A801 WeakPolarHBondContact O-CB 3.23Å; E797-A801 PolarHBondContact O-N 2.99Å; M798-A801 PolarHBondContact O-N 2.89Å; A801-A804 WeakPolarHBondContact O-CB 3.37Å; A801-A804 PolarHBondContact O-N 2.93Å; A801-L805 PolarHBondContact O-N 2.66Å
802I72.3Confident74.1Confident33 Ų3384.6 Ų84.617%0.16945%0.446CS..Hα-helixtrans-80.7-31.6-177.4-71.9168.1000112.3M798 E799 Q800 A804 L805 G806 F817M798-I802 HydrophobicContact CG-CD1 4.07Å; M798-I802 PolarHBondContact O-N 2.7Å; E799-I802 PolarHBondContact O-N 2.88Å; Q800-I802 VanDerWaalsContact C-N 3.26Å; Q800-I802 PolarHBondContact O-N 3.27Å; I802-A804 PolarHBondContact O-N 2.86Å; I802-L805 HydrophobicContact CG1-CD1 4.31Å; I802-L805 PolarHBondContact O-N 3.46Å; I802-G806 PolarHBondContact O-N 2.7Å; I802-F817 HydrophobicContact CB-CD1 3.85Å; I802-F817 HydrophobicContact CB-CE1 3.94Å; I802-F817 HydrophobicContact CD1-CD1 3.67Å; I802-F817 HydrophobicContact CD1-CD2 4.14Å; I802-F817 HydrophobicContact CD1-CE1 3Å; I802-F817 HydrophobicContact CD1-CE2 3.56Å; I802-F817 HydrophobicContact CD1-CG 4.2Å; I802-F817 HydrophobicContact CD1-CZ 2.97Å; I802-F817 HydrophobicContact CG1-CD1 4.33Å; I802-F817 HydrophobicContact CG1-CE1 4Å; I802-F817 HydrophobicContact CG1-CZ 4.31Å; I802-F817 HydrophobicContact CG2-CB 4.12Å; I802-F817 HydrophobicContact CG2-CD1 3.46Å; I802-F817 VanDerWaalsContact CG2-CD1 3.46Å; I802-F817 HydrophobicContact CG2-CD2 4.39Å; I802-F817 HydrophobicContact CG2-CE1 4.02Å; I802-F817 HydrophobicContact CG2-CG 3.7Å
803I75.5Confident73.2Confident50 Ų5084.8 Ų84.826%0.25645%0.45SS..Hα-helixtrans-60.6-38.1166.4-67.5162.8000110.6E799 Q800 Q807 V814 K818E799-I803 HydrophobicContact CG-CD1 3.96Å; E799-I803 WeakPolarHBondContact O-CD1 3.26Å; E799-I803 WeakPolarHBondContact O-CG1 3.15Å; E799-I803 PolarHBondContact O-N 2.9Å; Q800-I803 PolarHBondContact O-N 2.79Å; I803-Q807 WeakPolarHBondContact O-CG 3.25Å; I803-Q807 PolarHBondContact O-N 3.01Å; I803-V814 HydrophobicContact CG1-CG1 4.02Å; I803-K818 VanDerWaalsContact CD1-CE 3.48Å
804A78.7Confident72.3Confident52 Ų5282.4 Ų82.443%0.4344%0.441SS..Hα-helixtrans-67.4-45.6176.300000111.8Q800 A801 I802 G806 Q807Q800-A804 PolarHBondContact O-N 2.87Å; A801-A804 WeakPolarHBondContact O-CB 3.37Å; A801-A804 PolarHBondContact O-N 2.93Å; I802-A804 PolarHBondContact O-N 2.86Å; A804-G806 PolarHBondContact O-N 2.86Å; A804-Q807 WeakPolarHBondContact O-CB 3.24Å; A804-Q807 PolarHBondContact O-N 3.13Å
805L72.6Confident71.7Confident87 Ų8785 Ų8546%0.45545%0.454SS..Hα-helixtrans-62.3-41.2176.1-78.3153.5000112.5A801 I802 Q807 E808 D809 L812A801-L805 PolarHBondContact O-N 2.66Å; I802-L805 HydrophobicContact CG1-CD1 4.31Å; I802-L805 PolarHBondContact O-N 3.46Å; L805-Q807 PolarHBondContact O-N 2.9Å; L805-E808 PolarHBondContact O-N 3.45Å; L805-D809 PolarHBondContact O-N 2.77Å; L805-L812 HydrophobicContact CB-CD1 4.15Å
806G67.8Low71.1Confident18 Ų1886.3 Ų86.319%0.18646%0.463CS..Hα-helixtrans-68.6-13.7177.800000114.6I802 A804I802-G806 PolarHBondContact O-N 2.7Å; A804-G806 PolarHBondContact O-N 2.86Å
807Q68.3Low70.3Confident160 Ų16081.9 Ų81.975%0.74844%0.444SS*.Hα-helixtrans-78.4-23.5168.8-71.6175.610.800112.2I803 A804 L805I803-Q807 WeakPolarHBondContact O-CG 3.25Å; I803-Q807 PolarHBondContact O-N 3.01Å; A804-Q807 WeakPolarHBondContact O-CB 3.24Å; A804-Q807 PolarHBondContact O-N 3.13Å; L805-Q807 PolarHBondContact O-N 2.9Å
808E64.1Low69.6Low168 Ų16880.3 Ų80.379%0.78544%0.436SS*.Hα-helixtrans-91-40.9177.4-62.4-174165.300111.2L805L805-E808 PolarHBondContact O-N 3.45Å
809D59.1Low69.3Low93 Ų9384.3 Ų84.350%0.49745%0.454SS..  trans-111.4106.1-179.5-102.2-28000112.9L805 T811 L812L805-D809 PolarHBondContact O-N 2.77Å; D809-T811 PolarHBondContact O-N 2.97Å; D809-L812 HydrophobicContact CB-CD1 3.98Å; D809-L812 HydrophobicContact CB-CG 4.41Å; D809-L812 PolarHBondContact O-N 2.81Å
810S56.5Low68.9Low124 Ų12483.9 Ų83.987%0.86745%0.453SS*.THydrogen-bonded Turntrans-64.9-6.9178.761.20000115.4
811T59.5Low68.2Low118 Ų11878 Ų7872%0.72443%0.427SS*.THydrogen-bonded Turntrans-86.9-15.9-179.450.80000113.2D809D809-T811 PolarHBondContact O-N 2.97Å
812L60.6Low67.7Low80 Ų8082 Ų8242%0.41944%0.437SS..SBendtrans-82.1118.9-179.1-73.3164.4000110.5L805 D809 V814L805-L812 HydrophobicContact CB-CD1 4.15Å; D809-L812 HydrophobicContact CB-CD1 3.98Å; D809-L812 HydrophobicContact CB-CG 4.41Å; D809-L812 PolarHBondContact O-N 2.81Å; L812-V814 VanDerWaalsContact C-N 3.27Å; L812-V814 PolarHBondContact O-N 3.17Å
813D66.5Low67.8Low111 Ų11186.4 Ų86.459%0.59445%0.454SS*.  trans-77.180.3174.6-155.9-11.6000110.1E815 L816 F817D813-E815 PolarHBondContact O-N 2.88Å; D813-L816 HydrophobicContact CB-CB 4.11Å; D813-L816 PolarHBondContact O-N 3.49Å; D813-L816 VanDerWaalsContact O-N 3.13Å; D813-F817 PolarHBondContact O-N 2.92Å; D813-F817 VanDerWaalsContact O-N 3.1Å
814V69.1Low67.7Low33 Ų3391.3 Ų91.320%0.248%0.476CS..Hα-helixtrans-55.8-33.3-175.4-179.60000111.6I803 L812 F817 K818I803-V814 HydrophobicContact CG1-CG1 4.02Å; L812-V814 VanDerWaalsContact C-N 3.27Å; L812-V814 PolarHBondContact O-N 3.17Å; V814-F817 PolarHBondContact O-N 2.85Å; V814-K818 HydrophobicContact CG1-CD 4.4Å; V814-K818 WeakPolarHBondContact O-CG 3.25Å; V814-K818 PolarHBondContact O-N 2.9Å
815E71.2Confident67.8Low126 Ų12690.8 Ų90.859%0.58947%0.466SS*.Hα-helixtrans-66.8-46179.6-154.484.9-156.200111D813 F817 K818 Q819D813-E815 PolarHBondContact O-N 2.88Å; E815-F817 VanDerWaalsContact C-N 3.31Å; E815-F817 PolarHBondContact O-N 3.2Å; E815-K818 PolarHBondContact O-N 3.07Å; E815-Q819 WeakPolarHBondContact O-CG 3.33Å; E815-Q819 PolarHBondContact O-N 2.85Å
816L70.1Confident68.5Low76 Ų7689.2 Ų89.240%0.39846%0.461SS..Hα-helixtrans-61.8-42.6176-179.165000110.6D813 K818 Q819 L820D813-L816 HydrophobicContact CB-CB 4.11Å; D813-L816 PolarHBondContact O-N 3.49Å; D813-L816 VanDerWaalsContact O-N 3.13Å; L816-K818 PolarHBondContact O-N 2.8Å; L816-Q819 PolarHBondContact O-N 2.83Å; L816-L820 HydrophobicContact CG-CD1 4.16Å; L816-L820 VanDerWaalsContact O-CG 3.31Å; L816-L820 WeakPolarHBondContact O-CG 3.38Å; L816-L820 PolarHBondContact O-N 2.6Å
817F66.6Low69.4Low30 Ų3091.1 Ų91.113%0.13247%0.471CS..Hα-helixtrans-64.3-42.2178.6-166.2-90000112.3M798 I802 D813 V814 E815 Q819 L820 C821M798-F817 HydrophobicContact CE-CE1 4.41Å; M798-F817 HydrophobicContact CE-CZ 4.08Å; M798-F817 HydrophobicContact CG-CE1 4.44Å; M798-F817 HydrophobicContact CG-CZ 4.37Å; M798-F817 HydrophobicContact SD-CZ 4.48Å; I802-F817 HydrophobicContact CB-CD1 3.85Å; I802-F817 HydrophobicContact CB-CE1 3.94Å; I802-F817 HydrophobicContact CD1-CD1 3.67Å; I802-F817 HydrophobicContact CD1-CD2 4.14Å; I802-F817 HydrophobicContact CD1-CE1 3Å; I802-F817 HydrophobicContact CD1-CE2 3.56Å; I802-F817 HydrophobicContact CD1-CG 4.2Å; I802-F817 HydrophobicContact CD1-CZ 2.97Å; I802-F817 HydrophobicContact CG1-CD1 4.33Å; I802-F817 HydrophobicContact CG1-CE1 4Å; I802-F817 HydrophobicContact CG1-CZ 4.31Å; I802-F817 HydrophobicContact CG2-CB 4.12Å; I802-F817 HydrophobicContact CG2-CD1 3.46Å; I802-F817 VanDerWaalsContact CG2-CD1 3.46Å; I802-F817 HydrophobicContact CG2-CD2 4.39Å; I802-F817 HydrophobicContact CG2-CE1 4.02Å; I802-F817 HydrophobicContact CG2-CG 3.7Å; D813-F817 PolarHBondContact O-N 2.92Å; D813-F817 VanDerWaalsContact O-N 3.1Å; V814-F817 PolarHBondContact O-N 2.85Å; E815-F817 VanDerWaalsContact C-N 3.31Å; E815-F817 PolarHBondContact O-N 3.2Å; F817-Q819 VanDerWaalsContact C-N 3.32Å; F817-Q819 PolarHBondContact O-N 3.39Å; F817-L820 PolarHBondContact O-N 3.29Å; F817-C821 WeakPolarHBondContact CE1-SG 3.41Å; F817-C821 VanDerWaalsContact CZ-SG 3.57Å; F817-C821 PolarHBondContact O-N 3.12Å
818K68.8Low70.3Confident61 Ų6188.4 Ų88.427%0.26546%0.458SS..Hα-helixtrans-57.8-44.9172.9-78.5175.5176.4173.50112E799 I803 V814 E815 L816 L820 C821 Q822E799-K818 HydrophobicContact CG-CG 4.25Å; I803-K818 VanDerWaalsContact CD1-CE 3.48Å; V814-K818 HydrophobicContact CG1-CD 4.4Å; V814-K818 WeakPolarHBondContact O-CG 3.25Å; V814-K818 PolarHBondContact O-N 2.9Å; E815-K818 PolarHBondContact O-N 3.07Å; L816-K818 PolarHBondContact O-N 2.8Å; K818-L820 VanDerWaalsContact C-N 3.32Å; K818-L820 PolarHBondContact O-N 3.37Å; K818-C821 PolarHBondContact O-N 3.4Å; K818-Q822 WeakPolarHBondContact O-CB 3.47Å; K818-Q822 VanDerWaalsContact O-CG 3.26Å; K818-Q822 WeakPolarHBondContact O-CG 3.36Å; K818-Q822 PolarHBondContact O-N 3.22Å
819Q72.4Confident71.3Confident118 Ų11886.4 Ų86.455%0.55145%0.447SS*.Hα-helixtrans-62-41.1177-71.11778.500111.7E815 L816 F817 Q822 K823E815-Q819 WeakPolarHBondContact O-CG 3.33Å; E815-Q819 PolarHBondContact O-N 2.85Å; L816-Q819 PolarHBondContact O-N 2.83Å; F817-Q819 VanDerWaalsContact C-N 3.32Å; F817-Q819 PolarHBondContact O-N 3.39Å; Q819-Q822 PolarHBondContact O-N 3.4Å; Q819-K823 WeakPolarHBondContact O-CB 3.49Å; Q819-K823 PolarHBondContact O-N 3.34Å
820L66.7Low72.7Confident40 Ų4082.4 Ų82.421%0.20943%0.425CS..Hα-helixtrans-66-40.4177.5-71171.1000112.4L816 F817 K818 Q822 K823L816-L820 HydrophobicContact CG-CD1 4.16Å; L816-L820 VanDerWaalsContact O-CG 3.31Å; L816-L820 WeakPolarHBondContact O-CG 3.38Å; L816-L820 PolarHBondContact O-N 2.6Å; F817-L820 PolarHBondContact O-N 3.29Å; K818-L820 VanDerWaalsContact C-N 3.32Å; K818-L820 PolarHBondContact O-N 3.37Å; L820-Q822 VanDerWaalsContact C-N 3.33Å; L820-Q822 PolarHBondContact O-N 3.01Å; L820-K823 PolarHBondContact O-N 2.95Å
821C66.9Low74.1Confident11 Ų1178.1 Ų78.17%0.07440%0.4CS..Hα-helixtrans-66.3-34.5175-750000113.5M798 F817 K818M798-C821 WeakPolarHBondContact CE-SG 3.47Å; F817-C821 WeakPolarHBondContact CE1-SG 3.41Å; F817-C821 VanDerWaalsContact CZ-SG 3.57Å; F817-C821 PolarHBondContact O-N 3.12Å; K818-C821 PolarHBondContact O-N 3.4Å
822Q68.8Low75.2Confident133 Ų13375.2 Ų75.262%0.62138%0.384SS*.Hα-helixtrans-76.7-25.7178.4-71.9176.41100112.6K818 Q819 L820 E824K818-Q822 WeakPolarHBondContact O-CB 3.47Å; K818-Q822 VanDerWaalsContact O-CG 3.26Å; K818-Q822 WeakPolarHBondContact O-CG 3.36Å; K818-Q822 PolarHBondContact O-N 3.22Å; Q819-Q822 PolarHBondContact O-N 3.4Å; L820-Q822 VanDerWaalsContact C-N 3.33Å; L820-Q822 PolarHBondContact O-N 3.01Å; Q822-E824 PolarHBondContact O-N 3.06Å; Q822-E824 VanDerWaalsContact O-N 3.11Å
823K73.3Confident76.1Confident125 Ų12572.6 Ų72.654%0.54337%0.372SS..SBendtrans-70.3106.1176.7-168.2178.6-179.2-176.50110.1Q819 L820 L825Q819-K823 WeakPolarHBondContact O-CB 3.49Å; Q819-K823 PolarHBondContact O-N 3.34Å; L820-K823 PolarHBondContact O-N 2.95Å; K823-L825 PolarHBondContact O-N 2.67Å
824E73.5Confident76.9Confident153 Ų15371.5 Ų71.572%0.71536%0.36SS*.  trans-75.4108.1173-68.7-170.8161.300110.1Q822Q822-E824 PolarHBondContact O-N 3.06Å; Q822-E824 VanDerWaalsContact O-N 3.11Å
825L82.3Confident77.3Confident41 Ų4170.4 Ų70.422%0.21535%0.354CS..  trans-73.3133.4171.4-63.8170.6000109.5P394 K823 P827 F830P394-L825 HydrophobicContact CB-CD1 4.39Å; P394-L825 HydrophobicContact CG-CD1 3.47Å; P394-L825 VanDerWaalsContact CG-CD1 3.47Å; K823-L825 PolarHBondContact O-N 2.67Å; L825-P827 WeakPolarHBondContact O-CD 3.45Å; L825-P827 VanDerWaalsContact O-N 3.15Å; L825-F830 HydrophobicContact CB-CB 4.25Å; L825-F830 HydrophobicContact CB-CD2 3.86Å; L825-F830 HydrophobicContact CB-CG 4.11Å; L825-F830 HydrophobicContact CD1-CG 4.48Å; L825-F830 HydrophobicContact CD2-CD2 4.29Å; L825-F830 HydrophobicContact CD2-CE2 4.19Å; L825-F830 HydrophobicContact CD2-CZ 4.39Å
826P87.2Confident77.6Confident54 Ų5464.9 Ų64.935%0.35133%0.331SS..  trans-58.5115.9175.5-25.333.5000111.3E828 K829 F830P826-E828 PolarHBondContact O-N 2.9Å; P826-K829 PolarHBondContact O-N 3.44Å; P826-K829 VanDerWaalsContact O-N 3.11Å; P826-F830 WeakPolarHBondContact O-CD2 3.45Å; P826-F830 PolarHBondContact O-N 2.92Å
827P86.4Confident78.1Confident59 Ų5966.4 Ų66.438%0.38335%0.348SS..Hα-helixtrans-66-23.1-175.427.3-35.3000112.4P436 L825 K829 G831P436-P827 HydrophobicContact CB-CB 3.86Å; P436-P827 HydrophobicContact CB-CG 4.28Å; P436-P827 HydrophobicContact CG-CB 4.23Å; P436-P827 WeakPolarHBondContact CG-O 3.34Å; L825-P827 WeakPolarHBondContact O-CD 3.45Å; L825-P827 VanDerWaalsContact O-N 3.15Å; P827-K829 VanDerWaalsContact C-N 3.3Å; P827-K829 PolarHBondContact O-N 3.47Å; P827-G831 CarbonylContact O-C 3.55Å; P827-G831 WeakPolarHBondContact O-CA 3.4Å; P827-G831 PolarHBondContact O-N 3.08Å
828E86.5Confident78.9Confident102 Ų10265.7 Ų65.748%0.47735%0.349SS..Hα-helixtrans-62.6-35.1175.4-64.2169.8-16500112.5I437 Q759 P826I437-E828 WeakPolarHBondContact CG2-O 3.18Å; Q759-E828 WeakPolarHBondContact CG-OE1 3.45Å; P826-E828 PolarHBondContact O-N 2.9Å
829K86.6Confident79.9Confident127 Ų12765.9 Ų65.955%0.55235%0.351SS*.Hα-helixtrans-95.9-40.5-178.6-65.5-173.6177.3-174.90112.6P826 P827P826-K829 PolarHBondContact O-N 3.44Å; P826-K829 VanDerWaalsContact O-N 3.11Å; P827-K829 VanDerWaalsContact C-N 3.3Å; P827-K829 PolarHBondContact O-N 3.47Å
830F88.2Confident81Confident9 Ų961 Ų614%0.03933%0.328CS..Hα-helixtrans-100-7.1-172.4-65.9-81.7000114.1R277 T335 P394 R395 L825 P826R277-F830 PolarHBondContact NH1-O 2.89Å; R277-F830 PolarHBondContact NH2-O 2.91Å; T335-F830 HydrophobicContact CG2-CD1 3.96Å; P394-F830 HydrophobicContact CB-CD1 3.89Å; P394-F830 HydrophobicContact CB-CE1 3.94Å; R395-F830 WeakPolarHBondContact O-CE1 2.96Å; R395-F830 VanDerWaalsContact O-CZ 3.26Å; R395-F830 WeakPolarHBondContact O-CZ 3.42Å; L825-F830 HydrophobicContact CB-CB 4.25Å; L825-F830 HydrophobicContact CB-CD2 3.86Å; L825-F830 HydrophobicContact CB-CG 4.11Å; L825-F830 HydrophobicContact CD1-CG 4.48Å; L825-F830 HydrophobicContact CD2-CD2 4.29Å; L825-F830 HydrophobicContact CD2-CE2 4.19Å; L825-F830 HydrophobicContact CD2-CZ 4.39Å; P826-F830 WeakPolarHBondContact O-CD2 3.45Å; P826-F830 PolarHBondContact O-N 2.92Å
831G85.1Confident82.3Confident34 Ų3459.1 Ų59.135%0.35132%0.318SS..  trans78.7161-170.500000112.9P827P827-G831 CarbonylContact O-C 3.55Å; P827-G831 WeakPolarHBondContact O-CA 3.4Å; P827-G831 PolarHBondContact O-N 3.08Å
832S81.9Confident83.7Confident56 Ų5658.6 Ų58.639%0.39232%0.315SS..PPolyproline II helixtrans-87.6140.7173.4-59.20000110.7R834S832-R834 PolarHBondContact O-N 3.04Å
833P81.1Confident85Confident26 Ų2652.3 Ų52.317%0.16929%0.285CS..PPolyproline II helixtrans-56.4130.7173.6-24.433.7000111.2E282 L791E282-P833 HydrophobicContact CG-CB 4.41Å; L791-P833 HydrophobicContact CD1-CB 4.43Å; L791-P833 HydrophobicContact CD1-CG 4.22Å
834R81.8Confident86.1Confident88 Ų8846.4 Ų46.433%0.33226%0.26SS..BIsolated β-bridgetrans-85.6133-179.9-55.7-161.8-170.4156.71111.5E282 R286 E309 N784 S832 G836E282-R834 PolarHBondContact OE1-N 2.94Å; R286-R834 VanDerWaalsContact CZ-CD 3.4Å; R286-R834 VanDerWaalsContact NH1-CB 3.3Å; R286-R834 VanDerWaalsContact NH1-CG 3.27Å; R286-R834 VanDerWaalsContact NH2-CD 3.26Å; R286-R834 VanDerWaalsContact NH2-NE 3.16Å; E309-R834 PolarHBondContact O-NH2 2.92Å; E309-R834 IonicContact OE2-CZ 3.91Å; E309-R834 IonicContact OE2-NH1 2.68Å; E309-R834 PolarHBondContact OE2-NH1 3.33Å; E309-R834 IonicContact OE2-NH2 2.63Å; N784-R834 CarbonylContact O-C 3.14Å; N784-R834 VanDerWaalsContact O-CA 3.3Å; N784-R834 WeakPolarHBondContact O-CA 3.48Å; S832-R834 PolarHBondContact O-N 3.04Å; R834-G836 PolarHBondContact O-N 2.82Å
835A78.1Confident87.1Confident9 Ų939.8 Ų39.87%0.07423%0.228CC..  trans-86.81.9-170.600000116.1N784 F786 M839N784-A835 PolarHBondContact O-N 2.72Å; F786-A835 HydrophobicContact CD1-CB 3.52Å; F786-A835 HydrophobicContact CD2-CB 3.61Å; F786-A835 HydrophobicContact CE1-CB 3.39Å; F786-A835 HydrophobicContact CE2-CB 3.48Å; F786-A835 VanDerWaalsContact CE2-CB 3.48Å; F786-A835 HydrophobicContact CG-CB 3.64Å; F786-A835 HydrophobicContact CZ-CB 3.37Å; A835-M839 HydrophobicContact CB-CB 3.6Å; A835-M839 HydrophobicContact CB-CG 3.95Å; A835-M839 WeakPolarHBondContact O-CG 3.44Å
836G77.3Confident87.8Confident10 Ų1037.9 Ų37.910%0.10322%0.218CC..  trans83.4172.4-171.700000113.5N784 R834N784-G836 PolarHBondContact OD1-O 2.7Å; R834-G836 PolarHBondContact O-N 2.82Å
837S80.3Confident88.1Confident109 Ų10935.3 Ų35.376%0.76220%0.202SC*.THydrogen-bonded Turntrans-68.5132.4-171.475.40000112.7N784N784-S837 WeakPolarHBondContact OD1-CA 3.41Å
838G83.5Confident88.4Confident14 Ų1433.6 Ų33.614%0.14419%0.191CC..THydrogen-bonded Turntrans89.9-3.6175.900000115.5W840G838-W840 VanDerWaalsContact O-CD1 3.32Å
839M90.9Very high88.4Confident65 Ų6529 Ų2932%0.3217%0.17SC..  trans-83.3143.2172.6-65.2-62.6-176.500111.7H783 N784 A835 N863H783-M839 PolarHBondContact ND1-O 3.42Å; N784-M839 PolarHBondContact N-O 3.4Å; A835-M839 HydrophobicContact CB-CB 3.6Å; A835-M839 HydrophobicContact CB-CG 3.95Å; A835-M839 WeakPolarHBondContact O-CG 3.44Å; M839-N863 VanDerWaalsContact CA-OD1 3.3Å; M839-N863 WeakPolarHBondContact CA-OD1 3.34Å; M839-N863 PolarHBondContact SD-OD1 2.82Å
840W94.2Very high88.3Confident17 Ų1726.6 Ų26.66%0.06417%0.166CC..EExtended strand (participates in β ladder)trans-139.3145.7178.2-63.579.1000112.9T781 D782 H783 A785 G838 Q862 N863 A865 P891 L893T781-W840 HydrophobicContact CG2-CE3 3.68Å; T781-W840 HydrophobicContact CG2-CZ3 3.96Å; D782-W840 WeakPolarHBondContact O-CA 3.43Å; D782-W840 VanDerWaalsContact O-CE3 3.26Å; H783-W840 HydrophobicContact CB-CD2 4.22Å; H783-W840 HydrophobicContact CB-CE3 3.94Å; H783-W840 HydrophobicContact CB-CH2 3.61Å; H783-W840 HydrophobicContact CB-CZ2 3.9Å; H783-W840 HydrophobicContact CB-CZ3 3.63Å; H783-W840 AromaticContact CE1-CE2 3.78Å; H783-W840 AromaticContact CE1-CZ2 3.8Å; H783-W840 AromaticContact CE1-NE1 3.68Å; H783-W840 AromaticContact CG-CE2 3.84Å; H783-W840 AromaticContact CG-CH2 3.82Å; H783-W840 AromaticContact CG-CZ2 3.59Å; H783-W840 AromaticContact ND1-CD1 4Å; H783-W840 AromaticContact ND1-CD2 3.68Å; H783-W840 AromaticContact ND1-CE2 3.06Å; H783-W840 AromaticContact ND1-CH2 3.89Å; H783-W840 AromaticContact ND1-CZ2 3.2Å; H783-W840 WeakPolarHBondContact ND1-CZ2 3.4Å; H783-W840 AromaticContact ND1-NE1 3.26Å; H783-W840 PolarHBondContact ND1-NE1 3.11Å; A785-W840 CarbonylContact O-C 3.52Å; G838-W840 VanDerWaalsContact O-CD1 3.32Å; W840-Q862 PolarHBondContact O-NE2 3.12Å; W840-N863 PolarHBondContact N-OD1 3.39Å; W840-N863 VanDerWaalsContact N-OD1 3.14Å; W840-N863 PolarHBondContact O-N 3.15Å; W840-A865 HydrophobicContact CB-CB 4.26Å; W840-A865 HydrophobicContact CD2-CB 3.96Å; W840-A865 HydrophobicContact CE3-CB 3.84Å; W840-A865 HydrophobicContact CG-CB 4.16Å; W840-A865 HydrophobicContact CZ3-CB 4.47Å; W840-P891 HydrophobicContact CD2-CG 4.18Å; W840-P891 HydrophobicContact CG-CG 4.23Å; W840-P891 HydrophobicContact CZ2-CG 4.19Å; W840-P891 PolarHBondContact NE1-O 3.23Å; W840-L893 HydrophobicContact CH2-CD1 4.16Å; W840-L893 HydrophobicContact CH2-CD2 4.26Å; W840-L893 HydrophobicContact CH2-CG 4.39Å; W840-L893 HydrophobicContact CZ2-CD1 4.09Å; W840-L893 HydrophobicContact CZ2-CD2 4.08Å; W840-L893 HydrophobicContact CZ2-CG 3.97Å
841A94.7Very high88.2Confident0 Ų030.2 Ų30.20%019%0.186CC..EExtended strand (participates in β ladder)trans-127.3133172.400000110T781 D782 A785 F786 T787T781-A841 WeakPolarHBondContact CA-O 3.11Å; D782-A841 PolarHBondContact N-O 2.8Å; D782-A841 PolarHBondContact O-N 3.27Å; D782-A841 VanDerWaalsContact O-N 3.12Å; A785-A841 HydrophobicContact CB-CB 3.98Å; F786-A841 WeakPolarHBondContact O-CB 3.19Å; T787-A841 HydrophobicContact CG2-CB 4.01Å
842S96Very high88.3Confident0 Ų029.2 Ų29.20%018%0.175CC..EExtended strand (participates in β ladder)trans-140.8153-176.3-174.80000112.2R762 E780 T781 F860 E864 A866R762-S842 PolarHBondContact NH1-O 3.45Å; E780-S842 CarbonylContact O-C 3.5Å; E780-S842 WeakPolarHBondContact O-CA 3.1Å; E780-S842 PolarHBondContact O-OG 2.96Å; E780-S842 VanDerWaalsContact O-OG 3.11Å; T781-S842 WeakPolarHBondContact OG1-CB 3.4Å; T781-S842 PolarHBondContact OG1-OG 2.97Å; S842-F860 PolarHBondContact O-N 3.06Å; S842-F860 WeakPolarHBondContact OG-CD2 3.48Å; S842-E864 WeakPolarHBondContact CB-O 3.37Å; S842-A866 WeakPolarHBondContact OG-CB 3.3Å; S842-A866 PolarHBondContact OG-N 3.14Å
843A95.9Very high88.7Confident1 Ų134.8 Ų34.81%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-150.8157.4173.900000112.1I779 E780 L857 I858I779-A843 WeakPolarHBondContact CA-O 3.43Å; E780-A843 PolarHBondContact N-O 3.46Å; E780-A843 PolarHBondContact O-N 2.85Å; A843-L857 HydrophobicContact CB-CD1 3.91Å; A843-I858 WeakPolarHBondContact CA-O 3.48Å
844V96.4Very high89.3Confident1 Ų136.4 Ų36.41%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-104.7131.9164.8175.20000108.5L778 I779 I858 F860 L883 V885 L915L778-V844 WeakPolarHBondContact O-CA 3.37Å; I779-V844 HydrophobicContact CG2-CG2 3.92Å; V844-I858 PolarHBondContact N-O 2.83Å; V844-I858 PolarHBondContact O-N 2.85Å; V844-F860 HydrophobicContact CG2-CE2 3.54Å; V844-F860 HydrophobicContact CG2-CZ 3.43Å; V844-F860 VanDerWaalsContact CG2-CZ 3.43Å; V844-L883 HydrophobicContact CG1-CD2 4.01Å; V844-V885 HydrophobicContact CG2-CG1 4.33Å; V844-V885 HydrophobicContact CG2-CG2 3.79Å; V844-L915 HydrophobicContact CG1-CD1 3.74Å
845R95.9Very high89.8Confident13 Ų1335.8 Ų35.85%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-121.3139.2175.5-174.1-174.6-59.6-106.52.6110.9N761 M777 L778 E780 T854 Q856 L857N761-R845 PolarHBondContact OD1-NH2 3.21Å; M777-R845 WeakPolarHBondContact CA-O 3.25Å; L778-R845 HydrophobicContact CD1-CB 4.37Å; L778-R845 HydrophobicContact CD2-CB 4.37Å; L778-R845 HydrophobicContact CG-CB 4.05Å; L778-R845 PolarHBondContact N-O 2.96Å; L778-R845 PolarHBondContact O-N 3.28Å; E780-R845 IonicContact OE1-CZ 3.12Å; E780-R845 IonicContact OE1-NE 3.77Å; E780-R845 PolarHBondContact OE1-NE 2.89Å; E780-R845 IonicContact OE1-NH2 3.76Å; E780-R845 PolarHBondContact OE1-NH2 3.42Å; E780-R845 IonicContact OE2-NH2 3.41Å; R845-T854 HydrophobicContact CG-CG2 3.72Å; R845-T854 PolarHBondContact NH1-OG1 2.95Å; R845-Q856 WeakPolarHBondContact CA-O 3.27Å; R845-L857 HydrophobicContact CB-CD1 3.87Å; R845-L857 HydrophobicContact CG-CD1 4.23Å
846I96.1Very high90.6Very high1 Ų138.1 Ų38.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-105.8130.3165.7-48.2175.3000108.3N775 I776 M777 T854 L855 Q856 D913 L915N775-I846 HydrophobicContact CB-CG2 4.24Å; I776-I846 CarbonylContact O-C 3.55Å; I776-I846 WeakPolarHBondContact O-CA 3.5Å; M777-I846 HydrophobicContact CG-CG1 4.33Å; M777-I846 HydrophobicContact CG-CG2 4.38Å; I846-T854 CarbonylContact O-C 3.59Å; I846-T854 WeakPolarHBondContact O-CA 3.42Å; I846-L855 HydrophobicContact CB-CB 4.25Å; I846-L855 HydrophobicContact CG2-CB 4.2Å; I846-L855 HydrophobicContact CG2-CD1 4.01Å; I846-L855 PolarHBondContact O-N 2.93Å; I846-Q856 HydrophobicContact CD1-CB 4.07Å; I846-Q856 HydrophobicContact CG1-CB 4.4Å; I846-Q856 PolarHBondContact N-O 2.89Å; I846-D913 WeakPolarHBondContact CD1-O 3.45Å; I846-L915 HydrophobicContact CD1-CD1 3.8Å; I846-L915 HydrophobicContact CD1-CD2 4.43Å; I846-L915 HydrophobicContact CD1-CG 3.57Å; I846-L915 HydrophobicContact CG1-CD1 3.97Å; I846-L915 HydrophobicContact CG1-CG 4.29Å
847M93.6Very high91.5Very high1 Ų140.6 Ų40.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-133.3139.9-176.3-177.9-176.9-73.800110.8M440 Y758 L760 I776 L778 R853M440-M847 HydrophobicContact CB-CE 4.42Å; M440-M847 HydrophobicContact CB-SD 4.04Å; M440-M847 HydrophobicContact CG-SD 4.18Å; Y758-M847 HydrophobicContact CD2-SD 4.13Å; Y758-M847 HydrophobicContact CG-SD 4.44Å; L760-M847 HydrophobicContact CD2-CE 3.58Å; I776-M847 PolarHBondContact N-O 3Å; I776-M847 PolarHBondContact O-N 2.8Å; L778-M847 HydrophobicContact CD2-CB 4.47Å; M847-R853 WeakPolarHBondContact CA-O 3.36Å
848S92.4Very high92.2Very high23 Ų2337.1 Ų37.116%0.16119%0.192CC..  trans-76.7128.7167.81780000110.2V850 G852 R853S848-V850 VanDerWaalsContact C-N 3.32Å; S848-V850 PolarHBondContact O-N 3.06Å; S848-G852 VanDerWaalsContact O-CA 3.23Å; S848-G852 WeakPolarHBondContact O-CA 3.38Å; S848-G852 PolarHBondContact O-N 2.97Å; S848-R853 PolarHBondContact N-O 3.08Å
849P86.9Confident92.7Very high5 Ų540.2 Ų40.23%0.03221%0.21CC..THydrogen-bonded Turntrans-69.7-27.4-17829.2-37.5000113.5L420 Y429 L774 I776L420-P849 HydrophobicContact CB-CB 4.15Å; L420-P849 HydrophobicContact CB-CG 4.07Å; L420-P849 HydrophobicContact CD1-CB 3.78Å; L420-P849 HydrophobicContact CD1-CG 4.15Å; Y429-P849 HydrophobicContact CE1-CB 3.79Å; L774-P849 WeakPolarHBondContact O-CG 3.43Å; I776-P849 HydrophobicContact CD1-CB 3.88Å; I776-P849 HydrophobicContact CG1-CB 4.26Å
850V84.8Confident92.9Very high76 Ų7637.8 Ų37.846%0.46120%0.197SC..THydrogen-bonded Turntrans-78.2-49-173.8-176.20000111.1Y758 S848Y758-V850 PolarHBondContact OH-O 3.22Å; S848-V850 VanDerWaalsContact C-N 3.32Å; S848-V850 PolarHBondContact O-N 3.06Å
851D85.2Confident92.9Very high86 Ų8643 Ų4346%0.4622%0.223SC..THydrogen-bonded Turntrans-104.4-11.5-174.1-62.6-13.5000113.5R853D851-R853 HydrophobicContact CB-CG 3.97Å; D851-R853 PolarHBondContact O-N 2.92Å; D851-R853 IonicContact OD2-CZ 3.12Å; D851-R853 IonicContact OD2-NE 2.98Å; D851-R853 IonicContact OD2-NH1 3.99Å
852G86.9Confident92.8Very high12 Ų1245 Ų4512%0.12423%0.232CC..  trans70.55.6-175.100000115.4Y758 S848 T854Y758-G852 VanDerWaalsContact CD1-CA 3.49Å; Y758-G852 VanDerWaalsContact CG-CA 3.47Å; S848-G852 VanDerWaalsContact O-CA 3.23Å; S848-G852 WeakPolarHBondContact O-CA 3.38Å; S848-G852 PolarHBondContact O-N 2.97Å; G852-T854 PolarHBondContact O-N 3.03Å
853R91.9Very high92.6Very high173 Ų17346.3 Ų46.365%0.65324%0.239SC*.  trans-64.4132.7180-67.6178.4-174.7169.25.1110.5M847 S848 D851 L855M847-R853 WeakPolarHBondContact CA-O 3.36Å; S848-R853 PolarHBondContact N-O 3.08Å; D851-R853 HydrophobicContact CB-CG 3.97Å; D851-R853 PolarHBondContact O-N 2.92Å; D851-R853 IonicContact OD2-CZ 3.12Å; D851-R853 IonicContact OD2-NE 2.98Å; D851-R853 IonicContact OD2-NH1 3.99Å; R853-L855 PolarHBondContact O-N 2.94Å
854T92.7Very high92.6Very high60 Ų6046.6 Ų46.637%0.36824%0.24SC..EExtended strand (participates in β ladder)trans-76.5116.5170.7-630000109.1R845 I846 G852 L857R845-T854 HydrophobicContact CG-CG2 3.72Å; R845-T854 PolarHBondContact NH1-OG1 2.95Å; I846-T854 CarbonylContact O-C 3.59Å; I846-T854 WeakPolarHBondContact O-CA 3.42Å; G852-T854 PolarHBondContact O-N 3.03Å; T854-L857 HydrophobicContact CG2-CB 4.36Å
855L93.1Very high92.6Very high76 Ų7646.6 Ų46.640%0.39824%0.24SC..EExtended strand (participates in β ladder)trans-80.9-44.2178.6-59.9178.6000111N775 I846 R853 D913N775-L855 WeakPolarHBondContact ND2-CD1 3.49Å; I846-L855 HydrophobicContact CB-CB 4.25Å; I846-L855 HydrophobicContact CG2-CB 4.2Å; I846-L855 HydrophobicContact CG2-CD1 4.01Å; I846-L855 PolarHBondContact O-N 2.93Å; R853-L855 PolarHBondContact O-N 2.94Å; L855-D913 HydrophobicContact CD1-CB 4.06Å
856Q94.8Very high92.6Very high57 Ų5746 Ų4627%0.26624%0.238SC..EExtended strand (participates in β ladder)trans-150.6143.6177.2-163.1-176.419.400110.7R845 I846 I858 S914R845-Q856 WeakPolarHBondContact CA-O 3.27Å; I846-Q856 HydrophobicContact CD1-CB 4.07Å; I846-Q856 HydrophobicContact CG1-CB 4.4Å; I846-Q856 PolarHBondContact N-O 2.89Å; Q856-I858 HydrophobicContact CG-CG1 4.22Å; Q856-S914 VanDerWaalsContact OE1-CA 3.28Å
857L94.5Very high92.5Very high63 Ų6349.1 Ų49.133%0.3325%0.254SS..EExtended strand (participates in β ladder)trans-127.3123.4172.5-177.270000109A843 R845 T854A843-L857 HydrophobicContact CB-CD1 3.91Å; R845-L857 HydrophobicContact CB-CD1 3.87Å; R845-L857 HydrophobicContact CG-CD1 4.23Å; T854-L857 HydrophobicContact CG2-CB 4.36Å
858I95.3Very high92.6Very high35 Ų3549.1 Ų49.118%0.17926%0.255CS..EExtended strand (participates in β ladder)trans-117.3105.1178.3-57.3177.5000108.2A843 V844 Q856 F906 L915A843-I858 WeakPolarHBondContact CA-O 3.48Å; V844-I858 PolarHBondContact N-O 2.83Å; V844-I858 PolarHBondContact O-N 2.85Å; Q856-I858 HydrophobicContact CG-CG1 4.22Å; I858-F906 HydrophobicContact CD1-CE1 4.13Å; I858-L915 HydrophobicContact CD1-CB 3.9Å; I858-L915 HydrophobicContact CD1-CD1 4.28Å
859P94.6Very high92.7Very high79 Ų7948 Ų4851%0.51325%0.247SC..EExtended strand (participates in β ladder)trans-73.8142.5173.930.4-33.3000110.9
860F94.9Very high93.1Very high14 Ų1448.2 Ų48.26%0.06125%0.249CC..PPolyproline II helixtrans-88.8170.3170.3-66.5-64.3000111.8S842 V844 E864 A866 V885 I887 Y904 F906S842-F860 PolarHBondContact O-N 3.06Å; S842-F860 WeakPolarHBondContact OG-CD2 3.48Å; V844-F860 HydrophobicContact CG2-CE2 3.54Å; V844-F860 HydrophobicContact CG2-CZ 3.43Å; V844-F860 VanDerWaalsContact CG2-CZ 3.43Å; F860-E864 HydrophobicContact CB-CB 4.12Å; F860-A866 HydrophobicContact CD2-CB 4.49Å; F860-A866 HydrophobicContact CE2-CB 4.04Å; F860-V885 HydrophobicContact CE2-CG1 4.11Å; F860-V885 HydrophobicContact CZ-CB 4.29Å; F860-V885 HydrophobicContact CZ-CG1 3.86Å; F860-V885 HydrophobicContact CZ-CG2 4.45Å; F860-I887 HydrophobicContact CD1-CD1 3.75Å; F860-I887 HydrophobicContact CD2-CD1 4.02Å; F860-I887 HydrophobicContact CE1-CD1 3.68Å; F860-I887 HydrophobicContact CE2-CD1 3.9Å; F860-I887 HydrophobicContact CG-CD1 3.93Å; F860-I887 HydrophobicContact CZ-CD1 3.74Å; F860-Y904 HydrophobicContact CD1-CE1 4.33Å; F860-Y904 HydrophobicContact CD1-CE2 4.24Å; F860-Y904 HydrophobicContact CE1-CD1 4.05Å; F860-Y904 HydrophobicContact CE1-CD2 4.09Å; F860-Y904 HydrophobicContact CE1-CE1 4.2Å; F860-Y904 HydrophobicContact CE1-CE2 4.2Å; F860-Y904 HydrophobicContact CE1-CG 4Å; F860-F906 HydrophobicContact CE1-CE2 4.5Å; F860-F906 HydrophobicContact CE1-CZ 4.26Å
861E93.6Very high93.5Very high127 Ų12746.3 Ų46.359%0.59324%0.235SC*.PPolyproline II helixtrans-65.9159.2174.9-65.6-177.9170.400111.7N863 E864E861-N863 PolarHBondContact O-N 2.95Å; E861-E864 HydrophobicContact CB-CG 4.14Å; E861-E864 WeakPolarHBondContact O-CB 3.35Å; E861-E864 PolarHBondContact O-N 2.94Å
862Q92.7Very high93.9Very high43 Ų4342.3 Ų42.320%0.20121%0.214CC..THydrogen-bonded Turntrans-58.3136.2175.8-175.561.844.200110.2A785 T787 W840 E864A785-Q862 PolarHBondContact O-NE2 3.01Å; T787-Q862 HydrophobicContact CG2-CB 4.43Å; T787-Q862 PolarHBondContact OG1-OE1 3.35Å; T787-Q862 VanDerWaalsContact OG1-OE1 3.08Å; W840-Q862 PolarHBondContact O-NE2 3.12Å; Q862-E864 PolarHBondContact O-N 2.9Å
863N93.6Very high94.2Very high26 Ų2646 Ų4614%0.13923%0.229CC..THydrogen-bonded Turntrans6815.9-179-53-17.2000115.8M839 W840 E861 N890M839-N863 VanDerWaalsContact CA-OD1 3.3Å; M839-N863 WeakPolarHBondContact CA-OD1 3.34Å; M839-N863 PolarHBondContact SD-OD1 2.82Å; W840-N863 PolarHBondContact N-OD1 3.39Å; W840-N863 VanDerWaalsContact N-OD1 3.14Å; W840-N863 PolarHBondContact O-N 3.15Å; E861-N863 PolarHBondContact O-N 2.95Å; N863-N890 WeakPolarHBondContact CB-OD1 3.5Å; N863-N890 PolarHBondContact ND2-OD1 3.08Å; N863-N890 PolarHBondContact O-N 3.16Å
864E95.1Very high94.3Very high8 Ų837.9 Ų37.94%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-95.6112.3162.7-63.9-155143.100109.7S842 F860 E861 Q862 I887 Y904 K920S842-E864 WeakPolarHBondContact CB-O 3.37Å; F860-E864 HydrophobicContact CB-CB 4.12Å; E861-E864 HydrophobicContact CB-CG 4.14Å; E861-E864 WeakPolarHBondContact O-CB 3.35Å; E861-E864 PolarHBondContact O-N 2.94Å; Q862-E864 PolarHBondContact O-N 2.9Å; E864-I887 HydrophobicContact CB-CG2 3.71Å; E864-I887 HydrophobicContact CG-CG2 4.29Å; E864-Y904 WeakPolarHBondContact OE2-CE2 3.48Å; E864-Y904 PolarHBondContact OE2-OH 2.78Å; E864-K920 WeakPolarHBondContact OE1-CE 3.45Å; E864-K920 IonicContact OE1-NZ 3.17Å; E864-K920 PolarHBondContact OE1-NZ 3.27Å; E864-K920 IonicContact OE2-NZ 3.6Å
865A95.5Very high94.2Very high1 Ų138.5 Ų38.51%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-104.2117.818000000110.4T781 W840 I887 A888 P891T781-A865 HydrophobicContact CG2-CB 3.77Å; W840-A865 HydrophobicContact CB-CB 4.26Å; W840-A865 HydrophobicContact CD2-CB 3.96Å; W840-A865 HydrophobicContact CE3-CB 3.84Å; W840-A865 HydrophobicContact CG-CB 4.16Å; W840-A865 HydrophobicContact CZ3-CB 4.47Å; A865-I887 CarbonylContact O-C 3.52Å; A865-I887 VanDerWaalsContact O-CA 3.25Å; A865-I887 WeakPolarHBondContact O-CA 3.31Å; A865-A888 PolarHBondContact N-O 3.26Å; A865-A888 PolarHBondContact O-N 2.91Å; A865-P891 HydrophobicContact CB-CG 3.86Å
866A96.6Very high94.1Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-80.5128176.500000110.2I779 T781 S842 F860 V885 I887I779-A866 HydrophobicContact CB-CB 4.05Å; I779-A866 HydrophobicContact CD1-CB 4.19Å; I779-A866 HydrophobicContact CG2-CB 4Å; T781-A866 PolarHBondContact OG1-N 2.92Å; T781-A866 PolarHBondContact OG1-O 3.28Å; S842-A866 WeakPolarHBondContact OG-CB 3.3Å; S842-A866 PolarHBondContact OG-N 3.14Å; F860-A866 HydrophobicContact CD2-CB 4.49Å; F860-A866 HydrophobicContact CE2-CB 4.04Å; A866-V885 HydrophobicContact CB-CG1 3.86Å; A866-I887 HydrophobicContact CB-CG1 4.34Å
867L94.1Very high93.8Very high66 Ų6638.2 Ų38.235%0.34621%0.213SC..EExtended strand (participates in β ladder)trans-118.8-31.1-175.1-60.6178.9000112.5G886 A888 A926L867-G886 PolarHBondContact N-O 3.45Å; L867-A888 HydrophobicContact CD1-CB 3.83Å; L867-A926 HydrophobicContact CD1-CB 4.18Å
868S94.7Very high93.4Very high2 Ų239.4 Ų39.41%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-136.1152.1-176.4550000112.9V885 G886 V927 T928S868-V885 WeakPolarHBondContact O-CA 3.33Å; S868-G886 PolarHBondContact N-O 3.36Å; S868-G886 PolarHBondContact O-N 3.44Å; S868-G886 WeakPolarHBondContact OG-CA 3.38Å; S868-V927 PolarHBondContact OG-O 2.51Å; S868-T928 WeakPolarHBondContact CB-O 3.49Å
869L94.9Very high93Very high0 Ų046.2 Ų46.20%026%0.255CS..EExtended strand (participates in β ladder)trans-145.2136-175.2-170.766.8000109.4V768 M777 I779 L883 L884 V885V768-L869 HydrophobicContact CG1-CD2 4.37Å; V768-L869 HydrophobicContact CG1-CG 4.35Å; V768-L869 HydrophobicContact CG2-CD2 3.7Å; V768-L869 HydrophobicContact CG2-CG 3.91Å; M777-L869 WeakPolarHBondContact O-CD2 3.12Å; I779-L869 HydrophobicContact CD1-CB 4.33Å; I779-L869 HydrophobicContact CG1-CB 4.3Å; I779-L869 HydrophobicContact CG2-CB 4.44Å; I779-L869 HydrophobicContact CG2-CD1 3.96Å; I779-L869 HydrophobicContact CG2-CD2 4.31Å; I779-L869 HydrophobicContact CG2-CG 4.49Å; L869-L883 HydrophobicContact CD1-CD1 3.56Å; L869-L883 HydrophobicContact CD1-CD2 4.04Å; L869-L883 HydrophobicContact CD1-CG 3.82Å; L869-L883 HydrophobicContact CG-CD1 4.07Å; L869-L884 WeakPolarHBondContact CA-O 3.2Å; L869-V885 HydrophobicContact CD1-CG2 3.75Å
870A95.1Very high92.8Very high9 Ų945.2 Ų45.27%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-154.2142.8171.900000111.8V872 L884 I930A870-V872 HydrophobicContact CB-CG2 4.37Å; A870-L884 PolarHBondContact N-O 3.32Å; A870-L884 VanDerWaalsContact N-O 3.1Å; A870-L884 PolarHBondContact O-N 3.08Å; A870-I930 HydrophobicContact CB-CB 3.97Å; A870-I930 HydrophobicContact CB-CG2 3.73Å
871I94.4Very high92.7Very high35 Ų3545.2 Ų45.218%0.17925%0.246CC..EExtended strand (participates in β ladder)trans-92133.7167.1-64170.7000108.3V768 H770 M777 H881 F882 L883 I908V768-I871 HydrophobicContact CB-CD1 4.35Å; V768-I871 HydrophobicContact CG2-CD1 3.74Å; V768-I871 HydrophobicContact CG2-CG1 3.73Å; H770-I871 HydrophobicContact CB-CD1 3.96Å; M777-I871 HydrophobicContact SD-CD1 4.12Å; M777-I871 HydrophobicContact SD-CG1 4.43Å; I871-H881 HydrophobicContact CG2-CB 4.37Å; I871-F882 CarbonylContact C-O 3.58Å; I871-F882 WeakPolarHBondContact CA-O 3.08Å; I871-L883 HydrophobicContact CG1-CD1 3.77Å; I871-I908 HydrophobicContact CD1-CD1 4.4Å; I871-I908 HydrophobicContact CG1-CD1 4.07Å; I871-I908 HydrophobicContact CG2-CD1 3.97Å
872V93.4Very high92.8Very high2 Ų239.2 Ų39.21%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-139.5135.8-175.9-1780000110.8A870 F874 F882 L884 I937A870-V872 HydrophobicContact CB-CG2 4.37Å; V872-F874 HydrophobicContact CG1-CD1 4.4Å; V872-F874 HydrophobicContact CG1-CD2 4.48Å; V872-F874 HydrophobicContact CG1-CE1 4.36Å; V872-F874 HydrophobicContact CG1-CE2 4.4Å; V872-F874 HydrophobicContact CG1-CG 4.48Å; V872-F874 HydrophobicContact CG1-CZ 4.35Å; V872-F882 PolarHBondContact N-O 3Å; V872-F882 PolarHBondContact O-N 2.89Å; V872-L884 HydrophobicContact CB-CD1 4.33Å; V872-L884 HydrophobicContact CG2-CD1 3.84Å; V872-I937 HydrophobicContact CB-CG2 4.07Å; V872-I937 HydrophobicContact CG1-CG2 3.49Å; V872-I937 VanDerWaalsContact CG1-CG2 3.49Å; V872-I937 HydrophobicContact CG2-CG2 3.69Å
873Q93.2Very high93Very high91 Ų9137.1 Ų37.143%0.42521%0.208SC..EExtended strand (participates in β ladder)trans-99.6122.6161.4-66.3-179.9-38.400109.6H881Q873-H881 VanDerWaalsContact CD-CE1 3.42Å; Q873-H881 VanDerWaalsContact CG-ND1 3.3Å; Q873-H881 WeakPolarHBondContact CG-ND1 3.14Å; Q873-H881 PolarHBondContact NE2-CE1 2.9Å; Q873-H881 PolarHBondContact NE2-ND1 2.99Å; Q873-H881 PolarHBondContact NE2-NE2 2.86Å; Q873-H881 VanDerWaalsContact NE2-NE2 3.15Å
874F93.8Very high93.1Very high2 Ų235.9 Ų35.91%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-87.2142.7177.9-72.4-78.2000111V872 S876 Q877 F882 L884 G935 I937 F950 L955V872-F874 HydrophobicContact CG1-CD1 4.4Å; V872-F874 HydrophobicContact CG1-CD2 4.48Å; V872-F874 HydrophobicContact CG1-CE1 4.36Å; V872-F874 HydrophobicContact CG1-CE2 4.4Å; V872-F874 HydrophobicContact CG1-CG 4.48Å; V872-F874 HydrophobicContact CG1-CZ 4.35Å; F874-S876 PolarHBondContact O-N 3.3Å; F874-S876 VanDerWaalsContact O-N 3.07Å; F874-Q877 CarbonylContact O-C 3.56Å; F874-Q877 PolarHBondContact O-N 2.82Å; F874-F882 HydrophobicContact CD2-CB 4.44Å; F874-F882 AromaticContact CD2-CD2 3.54Å; F874-F882 HydrophobicContact CD2-CD2 3.54Å; F874-F882 AromaticContact CD2-CE2 3.87Å; F874-F882 HydrophobicContact CD2-CE2 3.87Å; F874-F882 AromaticContact CD2-CG 4Å; F874-F882 HydrophobicContact CD2-CG 4Å; F874-F882 HydrophobicContact CE2-CB 4.14Å; F874-F882 HydrophobicContact CE2-CD2 4.07Å; F874-F882 HydrophobicContact CE2-CG 4.05Å; F874-L884 HydrophobicContact CZ-CD1 4.16Å; F874-G935 CarbonylContact C-O 3.46Å; F874-G935 WeakPolarHBondContact CA-O 3.43Å; F874-I937 HydrophobicContact CE1-CD1 4.48Å; F874-I937 HydrophobicContact CE1-CG1 4.39Å; F874-I937 HydrophobicContact CE1-CG2 3.67Å; F874-I937 HydrophobicContact CZ-CD1 4.31Å; F874-I937 HydrophobicContact CZ-CG2 3.84Å; F874-F950 HydrophobicContact CB-CB 4.01Å; F874-F950 HydrophobicContact CD1-CB 3.72Å; F874-F950 HydrophobicContact CD2-CB 3.9Å; F874-F950 AromaticContact CD2-CD2 3.77Å; F874-F950 HydrophobicContact CD2-CD2 3.77Å; F874-F950 HydrophobicContact CD2-CG 4.13Å; F874-F950 HydrophobicContact CE1-CB 4.05Å; F874-F950 HydrophobicContact CE2-CB 4.25Å; F874-F950 AromaticContact CE2-CD2 3.78Å; F874-F950 HydrophobicContact CE2-CD2 3.78Å; F874-F950 HydrophobicContact CE2-CG 4.45Å; F874-F950 HydrophobicContact CG-CB 3.62Å; F874-F950 HydrophobicContact CG-CD2 4.38Å; F874-F950 HydrophobicContact CG-CG 4.29Å; F874-F950 HydrophobicContact CZ-CB 4.31Å; F874-F950 HydrophobicContact CZ-CD2 4.37Å; F874-L955 HydrophobicContact CE1-CD2 4.38Å; F874-L955 HydrophobicContact CZ-CD2 3.86Å
875A91.2Very high93.2Very high72 Ų7235.5 Ų35.560%0.59520%0.2SC*.THydrogen-bonded Turntrans-59.4-25177.100000113.4G935A875-G935 PolarHBondContact N-O 2.87Å
876S89.6Confident93.3Very high69 Ų6935.5 Ų35.548%0.48320%0.2SC..THydrogen-bonded Turntrans-78.9-18.4176.558.40000114F874F874-S876 PolarHBondContact O-N 3.3Å; F874-S876 VanDerWaalsContact O-N 3.07Å
877Q89.2Confident93.3Very high58 Ų5835.5 Ų35.527%0.27120%0.2SC..EExtended strand (participates in β ladder)trans-142.376.1178.6-65.2-16013.400109.6F874 E879 N880 F882F874-Q877 CarbonylContact O-C 3.56Å; F874-Q877 PolarHBondContact O-N 2.82Å; Q877-E879 VanDerWaalsContact C-N 3.28Å; Q877-E879 PolarHBondContact O-N 2.57Å; Q877-N880 HydrophobicContact CB-CB 4.38Å; Q877-N880 PolarHBondContact O-N 3.03Å; Q877-N880 PolarHBondContact OE1-ND2 2.93Å; Q877-F882 HydrophobicContact CB-CE2 4.06Å; Q877-F882 HydrophobicContact CB-CZ 4.21Å; Q877-F882 VanDerWaalsContact OE1-CZ 3.32Å
878P85.5Confident93.4Very high88 Ų8832.4 Ų32.457%0.57118%0.184SC*.EExtended strand (participates in β ladder)trans-70-23.5-173.227.8-35.1000113.7N880P878-N880 VanDerWaalsContact C-N 3.32Å
879E87Confident93.4Very high178 Ų17833.4 Ų33.483%0.83219%0.189SC*.EExtended strand (participates in β ladder)trans-79.3-16.3-178.9-62.4-179.7174.700113Q877Q877-E879 VanDerWaalsContact C-N 3.28Å; Q877-E879 PolarHBondContact O-N 2.57Å
880N91.1Very high93.3Very high59 Ų5936.2 Ų36.232%0.31620%0.204SC..EExtended strand (participates in β ladder)trans-110.9134.5-171.8-69.3-26.6000111.3Q877 P878 F882 L907Q877-N880 HydrophobicContact CB-CB 4.38Å; Q877-N880 PolarHBondContact O-N 3.03Å; Q877-N880 PolarHBondContact OE1-ND2 2.93Å; P878-N880 VanDerWaalsContact C-N 3.32Å; N880-F882 HydrophobicContact CB-CE2 3.72Å; N880-F882 HydrophobicContact CB-CZ 3.97Å; N880-L907 HydrophobicContact CB-CD1 3.76Å
881H93.2Very high93.1Very high13 Ų1336.3 Ų36.36%0.0620%0.204CC..EExtended strand (participates in β ladder)trans-93.9136.8169.2-65.2-90.1000110.4H770 E772 I871 Q873 I908H770-H881 AromaticContact NE2-CD2 3.66Å; H770-H881 AromaticContact NE2-CG 3.7Å; E772-H881 IonicContact OE1-CD2 3.53Å; E772-H881 IonicContact OE1-CE1 3.34Å; E772-H881 IonicContact OE1-NE2 2.93Å; E772-H881 PolarHBondContact OE1-NE2 2.94Å; E772-H881 IonicContact OE2-CD2 3.87Å; E772-H881 IonicContact OE2-NE2 2.96Å; I871-H881 HydrophobicContact CG2-CB 4.37Å; Q873-H881 VanDerWaalsContact CD-CE1 3.42Å; Q873-H881 VanDerWaalsContact CG-ND1 3.3Å; Q873-H881 WeakPolarHBondContact CG-ND1 3.14Å; Q873-H881 PolarHBondContact NE2-CE1 2.9Å; Q873-H881 PolarHBondContact NE2-ND1 2.99Å; Q873-H881 PolarHBondContact NE2-NE2 2.86Å; Q873-H881 VanDerWaalsContact NE2-NE2 3.15Å; H881-I908 HydrophobicContact CB-CB 4.14Å; H881-I908 HydrophobicContact CB-CD1 3.89Å; H881-I908 WeakPolarHBondContact O-CB 3.38Å; H881-I908 PolarHBondContact O-N 2.94Å
882F95.3Very high93Very high1 Ų139.1 Ų39.10%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-118.3136.3178.2-61.5-95.5000110.4I871 V872 F874 Q877 N880 T905 F906 L907 I918 F950I871-F882 CarbonylContact C-O 3.58Å; I871-F882 WeakPolarHBondContact CA-O 3.08Å; V872-F882 PolarHBondContact N-O 3Å; V872-F882 PolarHBondContact O-N 2.89Å; F874-F882 HydrophobicContact CD2-CB 4.44Å; F874-F882 AromaticContact CD2-CD2 3.54Å; F874-F882 HydrophobicContact CD2-CD2 3.54Å; F874-F882 AromaticContact CD2-CE2 3.87Å; F874-F882 HydrophobicContact CD2-CE2 3.87Å; F874-F882 AromaticContact CD2-CG 4Å; F874-F882 HydrophobicContact CD2-CG 4Å; F874-F882 HydrophobicContact CE2-CB 4.14Å; F874-F882 HydrophobicContact CE2-CD2 4.07Å; F874-F882 HydrophobicContact CE2-CG 4.05Å; Q877-F882 HydrophobicContact CB-CE2 4.06Å; Q877-F882 HydrophobicContact CB-CZ 4.21Å; Q877-F882 VanDerWaalsContact OE1-CZ 3.32Å; N880-F882 HydrophobicContact CB-CE2 3.72Å; N880-F882 HydrophobicContact CB-CZ 3.97Å; F882-T905 HydrophobicContact CD1-CG2 3.96Å; F882-F906 CarbonylContact C-O 3.57Å; F882-F906 VanDerWaalsContact CA-O 3.22Å; F882-F906 WeakPolarHBondContact CA-O 3.48Å; F882-L907 HydrophobicContact CD1-CD1 4.26Å; F882-L907 HydrophobicContact CE1-CD1 3.91Å; F882-L907 HydrophobicContact CZ-CD1 4.16Å; F882-I918 HydrophobicContact CD1-CD1 3.55Å; F882-I918 HydrophobicContact CE1-CD1 3.36Å; F882-F950 HydrophobicContact CD1-CE2 4.19Å; F882-F950 HydrophobicContact CE1-CD2 4.35Å; F882-F950 AromaticContact CE1-CE2 3.58Å; F882-F950 HydrophobicContact CE1-CE2 3.58Å; F882-F950 AromaticContact CE1-CZ 4Å; F882-F950 HydrophobicContact CE1-CZ 4Å; F882-F950 HydrophobicContact CZ-CD2 4.42Å; F882-F950 AromaticContact CZ-CE2 3.91Å; F882-F950 HydrophobicContact CZ-CE2 3.91Å; F882-F950 HydrophobicContact CZ-CZ 4.13Å
883L96Very high92.8Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-94.6124.1167.9-170.670000109.1V768 M777 V844 L869 I871 V885 F906 I908 L915V768-L883 HydrophobicContact CG2-CD1 4.17Å; M777-L883 HydrophobicContact CB-CD1 4.35Å; M777-L883 HydrophobicContact CB-CD2 4.43Å; M777-L883 HydrophobicContact SD-CD1 3.79Å; M777-L883 HydrophobicContact SD-CD2 3.96Å; M777-L883 HydrophobicContact SD-CG 4.31Å; V844-L883 HydrophobicContact CG1-CD2 4.01Å; L869-L883 HydrophobicContact CD1-CD1 3.56Å; L869-L883 HydrophobicContact CD1-CD2 4.04Å; L869-L883 HydrophobicContact CD1-CG 3.82Å; L869-L883 HydrophobicContact CG-CD1 4.07Å; I871-L883 HydrophobicContact CG1-CD1 3.77Å; L883-V885 HydrophobicContact CD2-CG2 4.4Å; L883-V885 HydrophobicContact CG-CG2 4.41Å; L883-F906 HydrophobicContact CB-CB 4.24Å; L883-F906 PolarHBondContact N-O 3.42Å; L883-F906 PolarHBondContact O-N 2.92Å; L883-I908 HydrophobicContact CB-CD1 4.04Å; L883-I908 HydrophobicContact CB-CG1 4.03Å; L883-L915 HydrophobicContact CB-CD2 3.86Å; L883-L915 HydrophobicContact CD2-CD1 3.56Å; L883-L915 HydrophobicContact CD2-CD2 3.78Å; L883-L915 HydrophobicContact CD2-CG 4.33Å; L883-L915 HydrophobicContact CG-CD2 4.48Å
884L96.9Very high92.5Very high0 Ų051.2 Ų51.20%027%0.265CS..EExtended strand (participates in β ladder)trans-109128.5174.7-63.5172.7000110.1L869 A870 V872 F874 I903 Y904 T905 I930 I937 L955L869-L884 WeakPolarHBondContact CA-O 3.2Å; A870-L884 PolarHBondContact N-O 3.32Å; A870-L884 VanDerWaalsContact N-O 3.1Å; A870-L884 PolarHBondContact O-N 3.08Å; V872-L884 HydrophobicContact CB-CD1 4.33Å; V872-L884 HydrophobicContact CG2-CD1 3.84Å; F874-L884 HydrophobicContact CZ-CD1 4.16Å; L884-I903 HydrophobicContact CB-CG2 4.49Å; L884-I903 HydrophobicContact CD2-CG2 4.16Å; L884-Y904 WeakPolarHBondContact CA-O 2.97Å; L884-T905 HydrophobicContact CD2-CG2 3.74Å; L884-T905 WeakPolarHBondContact CD2-OG1 3.41Å; L884-I930 HydrophobicContact CB-CD1 4.03Å; L884-I930 HydrophobicContact CB-CG2 4.23Å; L884-I930 HydrophobicContact CD1-CG2 4.09Å; L884-I937 HydrophobicContact CD1-CB 4.36Å; L884-I937 HydrophobicContact CD1-CD1 3.58Å; L884-I937 HydrophobicContact CD1-CG2 3.67Å; L884-L955 HydrophobicContact CD2-CD1 4.37Å
885V97.3Very high92.3Very high0 Ų055.2 Ų55.20%029%0.291CS..EExtended strand (participates in β ladder)trans-119.1120178.5-171.50000109.1I779 V844 F860 A866 S868 L869 L883 I887 I903 Y904 F906I779-V885 HydrophobicContact CG2-CG1 3.95Å; V844-V885 HydrophobicContact CG2-CG1 4.33Å; V844-V885 HydrophobicContact CG2-CG2 3.79Å; F860-V885 HydrophobicContact CE2-CG1 4.11Å; F860-V885 HydrophobicContact CZ-CB 4.29Å; F860-V885 HydrophobicContact CZ-CG1 3.86Å; F860-V885 HydrophobicContact CZ-CG2 4.45Å; A866-V885 HydrophobicContact CB-CG1 3.86Å; S868-V885 WeakPolarHBondContact O-CA 3.33Å; L869-V885 HydrophobicContact CD1-CG2 3.75Å; L883-V885 HydrophobicContact CD2-CG2 4.4Å; L883-V885 HydrophobicContact CG-CG2 4.41Å; V885-I887 HydrophobicContact CG1-CD1 4.45Å; V885-I887 HydrophobicContact CG1-CG1 4.11Å; V885-I903 WeakPolarHBondContact O-CA 3.44Å; V885-Y904 PolarHBondContact N-O 3.43Å; V885-Y904 PolarHBondContact O-N 3.27Å; V885-F906 HydrophobicContact CG2-CD2 4.2Å; V885-F906 HydrophobicContact CG2-CE2 3.97Å
886G96.5Very high92.2Very high0 Ų057.7 Ų57.70%029%0.285CS..EExtended strand (participates in β ladder)trans-92128.1176.300000111.3L867 S868L867-G886 PolarHBondContact N-O 3.45Å; S868-G886 PolarHBondContact N-O 3.36Å; S868-G886 PolarHBondContact O-N 3.44Å; S868-G886 WeakPolarHBondContact OG-CA 3.38Å
887I96.7Very high92.2Very high0 Ų060.3 Ų60.30%029%0.288CS..EExtended strand (participates in β ladder)trans-126.1146-171.4-62.4-164.6000111F860 E864 A865 A866 V885 G901 C902 Y904F860-I887 HydrophobicContact CD1-CD1 3.75Å; F860-I887 HydrophobicContact CD2-CD1 4.02Å; F860-I887 HydrophobicContact CE1-CD1 3.68Å; F860-I887 HydrophobicContact CE2-CD1 3.9Å; F860-I887 HydrophobicContact CG-CD1 3.93Å; F860-I887 HydrophobicContact CZ-CD1 3.74Å; E864-I887 HydrophobicContact CB-CG2 3.71Å; E864-I887 HydrophobicContact CG-CG2 4.29Å; A865-I887 CarbonylContact O-C 3.52Å; A865-I887 VanDerWaalsContact O-CA 3.25Å; A865-I887 WeakPolarHBondContact O-CA 3.31Å; A866-I887 HydrophobicContact CB-CG1 4.34Å; V885-I887 HydrophobicContact CG1-CD1 4.45Å; V885-I887 HydrophobicContact CG1-CG1 4.11Å; I887-G901 CarbonylContact O-C 3.47Å; I887-G901 WeakPolarHBondContact O-CA 3.2Å; I887-C902 VanDerWaalsContact CB-SG 3.59Å; I887-C902 PolarHBondContact N-O 3.01Å; I887-C902 PolarHBondContact O-N 2.97Å; I887-Y904 HydrophobicContact CD1-CD2 3.41Å; I887-Y904 VanDerWaalsContact CD1-CD2 3.41Å; I887-Y904 HydrophobicContact CD1-CE2 3.44Å; I887-Y904 VanDerWaalsContact CD1-CE2 3.44Å; I887-Y904 HydrophobicContact CD1-CG 4.44Å; I887-Y904 HydrophobicContact CG1-CD2 4.11Å; I887-Y904 HydrophobicContact CG1-CE2 4.41Å
888A95.9Very high92.3Very high1 Ų159.4 Ų59.41%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-106.2139.6165.900000110.9A865 L867 P891 V898 A926A865-A888 PolarHBondContact N-O 3.26Å; A865-A888 PolarHBondContact O-N 2.91Å; L867-A888 HydrophobicContact CD1-CB 3.83Å; A888-P891 HydrophobicContact CB-CB 4.19Å; A888-P891 HydrophobicContact CB-CG 4.04Å; A888-V898 HydrophobicContact CB-CG1 4.41Å; A888-A926 HydrophobicContact CB-CB 3.69Å
889I95.4Very high92.6Very high24 Ų2462.1 Ų62.112%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-106.8126.7-177.8-58.5172000109.4P891 Q899 G900 C902 M922I889-P891 VanDerWaalsContact C-CD 3.46Å; I889-Q899 PolarHBondContact O-N 3.24Å; I889-G900 PolarHBondContact N-O 3.39Å; I889-C902 HydrophobicContact CD1-CB 4.46Å; I889-M922 HydrophobicContact CD1-CE 3.49Å; I889-M922 VanDerWaalsContact CD1-CE 3.49Å; I889-M922 HydrophobicContact CD1-SD 4.42Å
890N92.3Very high92.9Very high59 Ų5954 Ų5432%0.31626%0.255SS..SBendtrans46.852.1-176.1-66.6-50.5000113.6N863 Q892 Q899N863-N890 WeakPolarHBondContact CB-OD1 3.5Å; N863-N890 PolarHBondContact ND2-OD1 3.08Å; N863-N890 PolarHBondContact O-N 3.16Å; N890-Q892 PolarHBondContact O-N 3.35Å; N890-Q899 HydrophobicContact CB-CB 4.28Å; N890-Q899 PolarHBondContact ND2-OE1 2.91Å
891P92.3Very high93.1Very high11 Ų1151.2 Ų51.27%0.07124%0.24CC..  trans-73.2126.1179.526.1-25.2000111.6W840 A865 A888 I889 V898W840-P891 HydrophobicContact CD2-CG 4.18Å; W840-P891 HydrophobicContact CG-CG 4.23Å; W840-P891 HydrophobicContact CZ2-CG 4.19Å; W840-P891 PolarHBondContact NE1-O 3.23Å; A865-P891 HydrophobicContact CB-CG 3.86Å; A888-P891 HydrophobicContact CB-CB 4.19Å; A888-P891 HydrophobicContact CB-CG 4.04Å; I889-P891 VanDerWaalsContact C-CD 3.46Å; P891-V898 HydrophobicContact CB-CG2 4.29Å
892Q91.3Very high93.2Very high93 Ų9350.6 Ų50.644%0.43524%0.237SC..BIsolated β-bridgetrans-104131.4166.9-66.3-178.5-17.100108.8N890 R896 K897N890-Q892 PolarHBondContact O-N 3.35Å; Q892-R896 VanDerWaalsContact O-CA 3.28Å; Q892-R896 WeakPolarHBondContact O-CA 3.42Å; Q892-K897 HydrophobicContact CB-CB 4.31Å; Q892-K897 PolarHBondContact N-O 2.76Å; Q892-K897 PolarHBondContact O-N 3.49Å
893L88.7Confident93.3Very high106 Ų10650.5 Ų50.556%0.55524%0.237SC*.THydrogen-bonded Turntrans-83.1-39.4-174.9-63.6176.3000113W840 P895 R896W840-L893 HydrophobicContact CH2-CD1 4.16Å; W840-L893 HydrophobicContact CH2-CD2 4.26Å; W840-L893 HydrophobicContact CH2-CG 4.39Å; W840-L893 HydrophobicContact CZ2-CD1 4.09Å; W840-L893 HydrophobicContact CZ2-CD2 4.08Å; W840-L893 HydrophobicContact CZ2-CG 3.97Å; L893-P895 CarbonylContact O-C 3.51Å; L893-R896 WeakPolarHBondContact O-CA 3.4Å; L893-R896 PolarHBondContact O-N 2.95Å
894R87Confident93.3Very high242 Ų24251.6 Ų51.691%0.91324%0.241SC*.THydrogen-bonded Turntrans-138.3112.5-175.9-168.4175.1-175.8177.5-0.5111.4
895P89.2Confident93.3Very high86 Ų8651.6 Ų51.656%0.55824%0.241SC*.THydrogen-bonded Turncis-63151-1429.5-34.9000111.3L893 K897L893-P895 CarbonylContact O-C 3.51Å; P895-K897 PolarHBondContact O-N 3.03Å
896R89.3Confident93.3Very high123 Ų12351.9 Ų51.946%0.46424%0.242SC..THydrogen-bonded Turntrans-61.9111.9179.3-177.5-175.7176-88.36.3110Q892 L893 E925 M967Q892-R896 VanDerWaalsContact O-CA 3.28Å; Q892-R896 WeakPolarHBondContact O-CA 3.42Å; L893-R896 WeakPolarHBondContact O-CA 3.4Å; L893-R896 PolarHBondContact O-N 2.95Å; R896-E925 IonicContact CZ-OE1 3.72Å; R896-E925 IonicContact NH1-OE1 3.81Å; R896-E925 PolarHBondContact NH1-OE1 3.1Å; R896-E925 IonicContact NH2-OE1 2.78Å; R896-E925 PolarHBondContact NH2-OE1 2.91Å; R896-M967 PolarHBondContact NH2-SD 3.4Å
897K90.8Very high93.2Very high125 Ų12553.7 Ų53.754%0.54325%0.252SS..BIsolated β-bridgetrans-136.2137.9172.8-66.9179.7-179.8174.30109Q892 P895Q892-K897 HydrophobicContact CB-CB 4.31Å; Q892-K897 PolarHBondContact N-O 2.76Å; Q892-K897 PolarHBondContact O-N 3.49Å; P895-K897 PolarHBondContact O-N 3.03Å
898V90.1Very high93.1Very high38 Ų3854.1 Ų54.123%0.2325%0.254CS..  trans-136.4132178.3179.70000107.3A888 P891 G900 A926A888-V898 HydrophobicContact CB-CG1 4.41Å; P891-V898 HydrophobicContact CB-CG2 4.29Å; V898-G900 WeakPolarHBondContact CG1-O 3.44Å; V898-A926 HydrophobicContact CG1-CB 4.19Å; V898-A926 HydrophobicContact CG2-CB 4.48Å
899Q92Very high93Very high145 Ų14555.3 Ų55.368%0.67826%0.262SS*.  trans-77.2-33.4180-174179.2-0.400112.1I889 N890I889-Q899 PolarHBondContact O-N 3.24Å; N890-Q899 HydrophobicContact CB-CB 4.28Å; N890-Q899 PolarHBondContact ND2-OE1 2.91Å
900G93.5Very high92.5Very high8 Ų858.8 Ų58.88%0.08230%0.295CS..EExtended strand (participates in β ladder)trans176.5-171.3176.800000111.1I889 V898I889-G900 PolarHBondContact N-O 3.39Å; V898-G900 WeakPolarHBondContact CG1-O 3.44Å
901G94.8Very high92.3Very high0 Ų058.8 Ų58.80%030%0.303CS..EExtended strand (participates in β ladder)trans-139.2172.5172.900000111.7I887 V923 E925I887-G901 CarbonylContact O-C 3.47Å; I887-G901 WeakPolarHBondContact O-CA 3.2Å; G901-V923 PolarHBondContact N-O 2.84Å; G901-V923 WeakPolarHBondContact O-CG2 3.41Å; G901-V923 PolarHBondContact O-N 3.22Å; G901-V923 VanDerWaalsContact O-O 3.11Å; G901-E925 WeakPolarHBondContact CA-O 3.45Å; G901-E925 PolarHBondContact N-O 2.84Å
902C95.7Very high92.1Very high0 Ų058.3 Ų58.30%030%0.3CS..EExtended strand (participates in β ladder)trans-147.2159.9170.962.50000112I887 I889 Y904 K920 T921 M922I887-C902 VanDerWaalsContact CB-SG 3.59Å; I887-C902 PolarHBondContact N-O 3.01Å; I887-C902 PolarHBondContact O-N 2.97Å; I889-C902 HydrophobicContact CD1-CB 4.46Å; C902-Y904 WeakPolarHBondContact SG-CE2 3.34Å; C902-K920 HydrophobicContact CB-CG 3.97Å; C902-K920 WeakPolarHBondContact SG-CE 3.18Å; C902-T921 CarbonylContact C-O 3.58Å; C902-T921 VanDerWaalsContact CA-O 3.24Å; C902-T921 WeakPolarHBondContact CA-O 3.48Å; C902-M922 HydrophobicContact CB-SD 3.82Å
903I97Very high92.1Very high0 Ų057.4 Ų57.40%030%0.298CS..EExtended strand (participates in β ladder)trans-118.3113.7174.8-51.9170.5000107.2L884 V885 T921 V923 V927 I930 V939 L955L884-I903 HydrophobicContact CB-CG2 4.49Å; L884-I903 HydrophobicContact CD2-CG2 4.16Å; V885-I903 WeakPolarHBondContact O-CA 3.44Å; I903-T921 PolarHBondContact N-O 3.46Å; I903-T921 PolarHBondContact O-N 3.01Å; I903-V923 HydrophobicContact CD1-CG1 4.49Å; I903-V927 HydrophobicContact CD1-CG2 4.48Å; I903-V927 HydrophobicContact CG1-CG1 4.28Å; I903-V927 HydrophobicContact CG1-CG2 3.82Å; I903-I930 HydrophobicContact CG2-CD1 4.39Å; I903-V939 HydrophobicContact CD1-CG1 3.97Å; I903-V939 HydrophobicContact CD1-CG2 4.23Å; I903-L955 HydrophobicContact CB-CD1 4.06Å; I903-L955 HydrophobicContact CD1-CD1 3.98Å; I903-L955 HydrophobicContact CG2-CD1 3.65Å
904Y97Very high92.4Very high22 Ų2254.4 Ų54.49%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-83.2135.9169.5-79.3-105000109.1F860 E864 L884 V885 I887 C902 F906 F917 K920F860-Y904 HydrophobicContact CD1-CE1 4.33Å; F860-Y904 HydrophobicContact CD1-CE2 4.24Å; F860-Y904 HydrophobicContact CE1-CD1 4.05Å; F860-Y904 HydrophobicContact CE1-CD2 4.09Å; F860-Y904 HydrophobicContact CE1-CE1 4.2Å; F860-Y904 HydrophobicContact CE1-CE2 4.2Å; F860-Y904 HydrophobicContact CE1-CG 4Å; E864-Y904 WeakPolarHBondContact OE2-CE2 3.48Å; E864-Y904 PolarHBondContact OE2-OH 2.78Å; L884-Y904 WeakPolarHBondContact CA-O 2.97Å; V885-Y904 PolarHBondContact N-O 3.43Å; V885-Y904 PolarHBondContact O-N 3.27Å; I887-Y904 HydrophobicContact CD1-CD2 3.41Å; I887-Y904 VanDerWaalsContact CD1-CD2 3.41Å; I887-Y904 HydrophobicContact CD1-CE2 3.44Å; I887-Y904 VanDerWaalsContact CD1-CE2 3.44Å; I887-Y904 HydrophobicContact CD1-CG 4.44Å; I887-Y904 HydrophobicContact CG1-CD2 4.11Å; I887-Y904 HydrophobicContact CG1-CE2 4.41Å; C902-Y904 WeakPolarHBondContact SG-CE2 3.34Å; Y904-F906 HydrophobicContact CD1-CE2 4.3Å; Y904-F906 AromaticContact CD1-CZ 3.97Å; Y904-F906 HydrophobicContact CD1-CZ 3.97Å; Y904-F906 HydrophobicContact CG-CE2 4.32Å; Y904-F906 HydrophobicContact CG-CZ 4.43Å; Y904-F917 AromaticContact CD1-CD2 3.88Å; Y904-F917 HydrophobicContact CD1-CD2 3.88Å; Y904-F917 AromaticContact CD1-CE2 3.49Å; Y904-F917 HydrophobicContact CD1-CE2 3.49Å; Y904-F917 VanDerWaalsContact CD1-CE2 3.49Å; Y904-F917 HydrophobicContact CE1-CD2 4.38Å; Y904-F917 AromaticContact CE1-CE2 3.82Å; Y904-F917 HydrophobicContact CE1-CE2 3.82Å; Y904-K920 HydrophobicContact CD2-CG 4.38Å; Y904-K920 HydrophobicContact CE1-CD 4.24Å; Y904-K920 HydrophobicContact CE1-CG 4.48Å; Y904-K920 HydrophobicContact CE2-CD 3.95Å; Y904-K920 HydrophobicContact CE2-CG 4.05Å; Y904-K920 WeakPolarHBondContact OH-CE 3.49Å; Y904-K920 PolarHBondContact OH-NZ 3.27Å
905T96.9Very high92.7Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-118118.7173.8-57.40000109.1F882 L884 I918 H919F882-T905 HydrophobicContact CD1-CG2 3.96Å; L884-T905 HydrophobicContact CD2-CG2 3.74Å; L884-T905 WeakPolarHBondContact CD2-OG1 3.41Å; T905-I918 HydrophobicContact CG2-CB 4.47Å; T905-I918 HydrophobicContact CG2-CD1 4.07Å; T905-I918 WeakPolarHBondContact O-CB 3.31Å; T905-I918 PolarHBondContact O-N 2.84Å; T905-H919 PolarHBondContact N-O 2.67Å; T905-H919 PolarHBondContact OG1-CE1 3.25Å
906F96.2Very high93Very high6 Ų645 Ų453%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-111.6143.2174.4-59.5-86.9000109.9I858 F860 F882 L883 V885 Y904 L915 E916 F917I858-F906 HydrophobicContact CD1-CE1 4.13Å; F860-F906 HydrophobicContact CE1-CE2 4.5Å; F860-F906 HydrophobicContact CE1-CZ 4.26Å; F882-F906 CarbonylContact C-O 3.57Å; F882-F906 VanDerWaalsContact CA-O 3.22Å; F882-F906 WeakPolarHBondContact CA-O 3.48Å; L883-F906 HydrophobicContact CB-CB 4.24Å; L883-F906 PolarHBondContact N-O 3.42Å; L883-F906 PolarHBondContact O-N 2.92Å; V885-F906 HydrophobicContact CG2-CD2 4.2Å; V885-F906 HydrophobicContact CG2-CE2 3.97Å; Y904-F906 HydrophobicContact CD1-CE2 4.3Å; Y904-F906 AromaticContact CD1-CZ 3.97Å; Y904-F906 HydrophobicContact CD1-CZ 3.97Å; Y904-F906 HydrophobicContact CG-CE2 4.32Å; Y904-F906 HydrophobicContact CG-CZ 4.43Å; F906-L915 HydrophobicContact CB-CB 4.06Å; F906-L915 HydrophobicContact CB-CD2 3.96Å; F906-L915 HydrophobicContact CB-CG 4.46Å; F906-L915 HydrophobicContact CD1-CB 4.1Å; F906-L915 HydrophobicContact CG-CB 4.25Å; F906-E916 CarbonylContact C-O 3.53Å; F906-E916 WeakPolarHBondContact CA-O 3.47Å; F906-F917 HydrophobicContact CD1-CB 4.07Å; F906-F917 HydrophobicContact CD1-CD2 4.44Å; F906-F917 HydrophobicContact CE1-CB 3.97Å; F906-F917 HydrophobicContact CE1-CD2 4Å; F906-F917 HydrophobicContact CE1-CG 4.49Å; F906-F917 HydrophobicContact CZ-CD2 4.42Å
907L95.5Very high93.3Very high39 Ų3944.6 Ų44.620%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-84.5130.7165.5-177.264.1000108.3N880 F882 L915 E916 I918N880-L907 HydrophobicContact CB-CD1 3.76Å; F882-L907 HydrophobicContact CD1-CD1 4.26Å; F882-L907 HydrophobicContact CE1-CD1 3.91Å; F882-L907 HydrophobicContact CZ-CD1 4.16Å; L907-L915 WeakPolarHBondContact O-CA 3.34Å; L907-E916 HydrophobicContact CB-CB 4.27Å; L907-E916 PolarHBondContact N-O 2.9Å; L907-E916 PolarHBondContact O-N 3.5Å; L907-I918 HydrophobicContact CB-CD1 3.81Å; L907-I918 HydrophobicContact CB-CG1 4.27Å
908I94.9Very high93.5Very high9 Ų941.3 Ų41.35%0.04624%0.235CC..EExtended strand (participates in β ladder)trans-86.3128.9174.6-61.6165.7000107.7M777 I871 H881 L883 L915M777-I908 HydrophobicContact CE-CD1 3.95Å; M777-I908 HydrophobicContact CE-CG1 3.99Å; M777-I908 HydrophobicContact CE-CG2 3.7Å; M777-I908 HydrophobicContact SD-CD1 4Å; M777-I908 HydrophobicContact SD-CG1 4.29Å; I871-I908 HydrophobicContact CD1-CD1 4.4Å; I871-I908 HydrophobicContact CG1-CD1 4.07Å; I871-I908 HydrophobicContact CG2-CD1 3.97Å; H881-I908 HydrophobicContact CB-CB 4.14Å; H881-I908 HydrophobicContact CB-CD1 3.89Å; H881-I908 WeakPolarHBondContact O-CB 3.38Å; H881-I908 PolarHBondContact O-N 2.94Å; L883-I908 HydrophobicContact CB-CD1 4.04Å; L883-I908 HydrophobicContact CB-CG1 4.03Å; I908-L915 HydrophobicContact CG1-CD2 3.72Å
909S93Very high93.8Very high25 Ų2540 Ų4018%0.17523%0.226CC..PPolyproline II helixtrans-59154.2170.6520000111.7A911 G912 D913 S914S909-A911 PolarHBondContact O-N 2.8Å; S909-G912 WeakPolarHBondContact O-CA 3.44Å; S909-G912 PolarHBondContact O-N 3.25Å; S909-G912 PolarHBondContact OG-N 3.29Å; S909-D913 PolarHBondContact OG-N 2.87Å; S909-D913 VanDerWaalsContact OG-N 3.16Å; S909-D913 PolarHBondContact OG-OD1 3.43Å; S909-S914 WeakPolarHBondContact CB-O 3.38Å; S909-S914 WeakPolarHBondContact CB-OG 3.41Å; S909-S914 PolarHBondContact N-O 3.23Å; S909-S914 PolarHBondContact OG-N 3.08Å; S909-S914 PolarHBondContact OG-O 2.79Å
910A85.8Confident93.9Very high98 Ų9836 Ų3681%0.8121%0.207SC*.THydrogen-bonded Turntrans-60-29.8178.900000113.5G912A910-G912 VanDerWaalsContact C-N 3.33Å
911A87.2Confident94.1Very high59 Ų5936.1 Ų36.149%0.48821%0.205SC..THydrogen-bonded Turntrans-82.2-10.8174.100000113.3S773 S909 D913S773-A911 WeakPolarHBondContact CB-O 3.45Å; S909-A911 PolarHBondContact O-N 2.8Å; A911-D913 VanDerWaalsContact C-N 3.25Å; A911-D913 HydrophobicContact CB-CB 4.49Å; A911-D913 PolarHBondContact O-N 3.37Å
912G88.7Confident94.2Very high0 Ų041.8 Ų41.80%023%0.233CC..SBendtrans63.828.4-176.800000113.7N775 S909 A910N775-G912 PolarHBondContact ND2-O 2.85Å; S909-G912 WeakPolarHBondContact O-CA 3.44Å; S909-G912 PolarHBondContact O-N 3.25Å; S909-G912 PolarHBondContact OG-N 3.29Å; A910-G912 VanDerWaalsContact C-N 3.33Å
913D91.4Very high94.1Very high74 Ų7442.5 Ų42.540%0.39624%0.238SC..SBendtrans-105-26.9-177.361.8-15.7000113I846 L855 S909 A911I846-D913 WeakPolarHBondContact CD1-O 3.45Å; L855-D913 HydrophobicContact CD1-CB 4.06Å; S909-D913 PolarHBondContact OG-N 2.87Å; S909-D913 VanDerWaalsContact OG-N 3.16Å; S909-D913 PolarHBondContact OG-OD1 3.43Å; A911-D913 VanDerWaalsContact C-N 3.25Å; A911-D913 HydrophobicContact CB-CB 4.49Å; A911-D913 PolarHBondContact O-N 3.37Å
914S94Very high93.9Very high43 Ų4348.9 Ų48.930%0.30127%0.267SS..  trans-126.2152.3173.973.20000114.2Q856 S909Q856-S914 VanDerWaalsContact OE1-CA 3.28Å; S909-S914 WeakPolarHBondContact CB-O 3.38Å; S909-S914 WeakPolarHBondContact CB-OG 3.41Å; S909-S914 PolarHBondContact N-O 3.23Å; S909-S914 PolarHBondContact OG-N 3.08Å; S909-S914 PolarHBondContact OG-O 2.79Å
915L94.8Very high93.8Very high9 Ų950.2 Ų50.25%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-114.2126.3173.2-67.6167.4000110.2M777 V844 I846 I858 L883 F906 L907 I908M777-L915 HydrophobicContact SD-CD2 4.36Å; V844-L915 HydrophobicContact CG1-CD1 3.74Å; I846-L915 HydrophobicContact CD1-CD1 3.8Å; I846-L915 HydrophobicContact CD1-CD2 4.43Å; I846-L915 HydrophobicContact CD1-CG 3.57Å; I846-L915 HydrophobicContact CG1-CD1 3.97Å; I846-L915 HydrophobicContact CG1-CG 4.29Å; I858-L915 HydrophobicContact CD1-CB 3.9Å; I858-L915 HydrophobicContact CD1-CD1 4.28Å; L883-L915 HydrophobicContact CB-CD2 3.86Å; L883-L915 HydrophobicContact CD2-CD1 3.56Å; L883-L915 HydrophobicContact CD2-CD2 3.78Å; L883-L915 HydrophobicContact CD2-CG 4.33Å; L883-L915 HydrophobicContact CG-CD2 4.48Å; F906-L915 HydrophobicContact CB-CB 4.06Å; F906-L915 HydrophobicContact CB-CD2 3.96Å; F906-L915 HydrophobicContact CB-CG 4.46Å; F906-L915 HydrophobicContact CD1-CB 4.1Å; F906-L915 HydrophobicContact CG-CB 4.25Å; L907-L915 WeakPolarHBondContact O-CA 3.34Å; I908-L915 HydrophobicContact CG1-CD2 3.72Å
916E94.7Very high93.6Very high121 Ų12150.4 Ų50.457%0.56528%0.276SS*.EExtended strand (participates in β ladder)trans-102.7126.3174-62.3-176.3171.500110.6F906 L907 I918F906-E916 CarbonylContact C-O 3.53Å; F906-E916 WeakPolarHBondContact CA-O 3.47Å; L907-E916 HydrophobicContact CB-CB 4.27Å; L907-E916 PolarHBondContact N-O 2.9Å; L907-E916 PolarHBondContact O-N 3.5Å; E916-I918 PolarHBondContact O-N 3.04Å
917F95.7Very high93.6Very high116 Ų11650.1 Ų50.151%0.50928%0.275SS..EExtended strand (participates in β ladder)trans-72.1129.5179.4173.9-101.9000111.8Y904 F906 H919 K920Y904-F917 AromaticContact CD1-CD2 3.88Å; Y904-F917 HydrophobicContact CD1-CD2 3.88Å; Y904-F917 AromaticContact CD1-CE2 3.49Å; Y904-F917 HydrophobicContact CD1-CE2 3.49Å; Y904-F917 VanDerWaalsContact CD1-CE2 3.49Å; Y904-F917 HydrophobicContact CE1-CD2 4.38Å; Y904-F917 AromaticContact CE1-CE2 3.82Å; Y904-F917 HydrophobicContact CE1-CE2 3.82Å; F906-F917 HydrophobicContact CD1-CB 4.07Å; F906-F917 HydrophobicContact CD1-CD2 4.44Å; F906-F917 HydrophobicContact CE1-CB 3.97Å; F906-F917 HydrophobicContact CE1-CD2 4Å; F906-F917 HydrophobicContact CE1-CG 4.49Å; F906-F917 HydrophobicContact CZ-CD2 4.42Å; F917-H919 VanDerWaalsContact CE2-C 3.48Å; F917-H919 VanDerWaalsContact CZ-C 3.43Å; F917-K920 HydrophobicContact CE2-CB 4.28Å; F917-K920 HydrophobicContact CZ-CB 4.07Å
918I94.8Very high93.5Very high56 Ų5649.3 Ų49.329%0.28727%0.271SS..EExtended strand (participates in β ladder)trans-102.2-61.5176.7-62.7165.1000111.1F882 T905 L907 E916F882-I918 HydrophobicContact CD1-CD1 3.55Å; F882-I918 HydrophobicContact CE1-CD1 3.36Å; T905-I918 HydrophobicContact CG2-CB 4.47Å; T905-I918 HydrophobicContact CG2-CD1 4.07Å; T905-I918 WeakPolarHBondContact O-CB 3.31Å; T905-I918 PolarHBondContact O-N 2.84Å; L907-I918 HydrophobicContact CB-CD1 3.81Å; L907-I918 HydrophobicContact CB-CG1 4.27Å; E916-I918 PolarHBondContact O-N 3.04Å
919H95.8Very high93.4Very high9 Ų949 Ų494%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-160.4162.1-177.765.849.8000112.6T905 F917 G951 K953T905-H919 PolarHBondContact N-O 2.67Å; T905-H919 PolarHBondContact OG1-CE1 3.25Å; F917-H919 VanDerWaalsContact CE2-C 3.48Å; F917-H919 VanDerWaalsContact CZ-C 3.43Å; H919-G951 PolarHBondContact CD2-O 2.91Å; H919-G951 VanDerWaalsContact CD2-O 3.27Å; H919-G951 PolarHBondContact NE2-O 2.93Å; H919-G951 VanDerWaalsContact NE2-O 3.11Å; H919-K953 WeakPolarHBondContact CB-O 3.44Å
920K95.6Very high93.5Very high63 Ų6348.1 Ų48.127%0.27426%0.264SS..EExtended strand (participates in β ladder)trans-114.7117.9173.7-179.2-179.5-175.91690109.7E864 C902 Y904 F917 M922E864-K920 WeakPolarHBondContact OE1-CE 3.45Å; E864-K920 IonicContact OE1-NZ 3.17Å; E864-K920 PolarHBondContact OE1-NZ 3.27Å; E864-K920 IonicContact OE2-NZ 3.6Å; C902-K920 HydrophobicContact CB-CG 3.97Å; C902-K920 WeakPolarHBondContact SG-CE 3.18Å; Y904-K920 HydrophobicContact CD2-CG 4.38Å; Y904-K920 HydrophobicContact CE1-CD 4.24Å; Y904-K920 HydrophobicContact CE1-CG 4.48Å; Y904-K920 HydrophobicContact CE2-CD 3.95Å; Y904-K920 HydrophobicContact CE2-CG 4.05Å; Y904-K920 WeakPolarHBondContact OH-CE 3.49Å; Y904-K920 PolarHBondContact OH-NZ 3.27Å; F917-K920 HydrophobicContact CE2-CB 4.28Å; F917-K920 HydrophobicContact CZ-CB 4.07Å; K920-M922 HydrophobicContact CD-SD 4.36Å; K920-M922 HydrophobicContact CG-SD 4.33Å
921T96.4Very high94Very high9 Ų944.2 Ų44.26%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-100.1114.6178.6-57.10000110.2C902 I903 K954 L955C902-T921 CarbonylContact C-O 3.58Å; C902-T921 VanDerWaalsContact CA-O 3.24Å; C902-T921 WeakPolarHBondContact CA-O 3.48Å; I903-T921 PolarHBondContact N-O 3.46Å; I903-T921 PolarHBondContact O-N 3.01Å; T921-K954 HydrophobicContact CG2-CB 4.21Å; T921-K954 WeakPolarHBondContact OG1-CA 3.08Å; T921-L955 HydrophobicContact CG2-CB 4.29Å; T921-L955 PolarHBondContact OG1-N 2.8Å
922M96.2Very high94.3Very high120 Ų12044.3 Ų44.359%0.59123%0.227SC*.EExtended strand (participates in β ladder)trans-76.1141.7178.7-58.7-60.7-70.300112I889 C902 K920I889-M922 HydrophobicContact CD1-CE 3.49Å; I889-M922 VanDerWaalsContact CD1-CE 3.49Å; I889-M922 HydrophobicContact CD1-SD 4.42Å; C902-M922 HydrophobicContact CB-SD 3.82Å; K920-M922 HydrophobicContact CD-SD 4.36Å; K920-M922 HydrophobicContact CG-SD 4.33Å
923V95.1Very high94.5Very high15 Ų1544.6 Ų44.69%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-136.9161.2176.5-65.70000111.5G901 I903 E925 V927 V941G901-V923 PolarHBondContact N-O 2.84Å; G901-V923 WeakPolarHBondContact O-CG2 3.41Å; G901-V923 PolarHBondContact O-N 3.22Å; G901-V923 VanDerWaalsContact O-O 3.11Å; I903-V923 HydrophobicContact CD1-CG1 4.49Å; V923-E925 VanDerWaalsContact CG2-O 3.27Å; V923-E925 WeakPolarHBondContact CG2-O 3.35Å; V923-V927 HydrophobicContact CG2-CG2 3.46Å; V923-V927 VanDerWaalsContact CG2-CG2 3.46Å; V923-V941 HydrophobicContact CB-CG1 4.17Å; V923-V941 HydrophobicContact CG2-CG1 4.23Å
924E92.5Very high94.3Very high133 Ų13347.4 Ų47.462%0.62123%0.234SC*.SBendtrans-73.4-25.6-171.5-61.5160.3165.500114R946E924-R946 IonicContact OE2-CZ 2.78Å; E924-R946 IonicContact OE2-NH2 3.58Å; E924-R946 PolarHBondContact OE2-NH2 2.98Å
925E93.8Very high94.1Very high50 Ų5046.5 Ų46.523%0.23423%0.231CC..SBendtrans-138.2170.5-176.7-152.9177.9162.400110.5R896 G901 V923 V941 G942R896-E925 IonicContact CZ-OE1 3.72Å; R896-E925 IonicContact NH1-OE1 3.81Å; R896-E925 PolarHBondContact NH1-OE1 3.1Å; R896-E925 IonicContact NH2-OE1 2.78Å; R896-E925 PolarHBondContact NH2-OE1 2.91Å; G901-E925 WeakPolarHBondContact CA-O 3.45Å; G901-E925 PolarHBondContact N-O 2.84Å; V923-E925 VanDerWaalsContact CG2-O 3.27Å; V923-E925 WeakPolarHBondContact CG2-O 3.35Å; E925-V941 HydrophobicContact CB-CG1 3.92Å; E925-G942 WeakPolarHBondContact OE2-CA 3.5Å
926A93.5Very high94.1Very high4 Ų449.2 Ų49.23%0.03324%0.241CC..  trans-56.2136.2176.800000112.5L867 A888 V898 T928 G942L867-A926 HydrophobicContact CD1-CB 4.18Å; A888-A926 HydrophobicContact CB-CB 3.69Å; V898-A926 HydrophobicContact CG1-CB 4.19Å; V898-A926 HydrophobicContact CG2-CB 4.48Å; A926-T928 PolarHBondContact O-N 2.88Å; A926-G942 PolarHBondContact O-N 2.92Å
927V95.7Very high94.1Very high0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-90.796.3175.2-1760000109.5S868 I903 V923 I930 V939S868-V927 PolarHBondContact OG-O 2.51Å; I903-V927 HydrophobicContact CD1-CG2 4.48Å; I903-V927 HydrophobicContact CG1-CG1 4.28Å; I903-V927 HydrophobicContact CG1-CG2 3.82Å; V923-V927 HydrophobicContact CG2-CG2 3.46Å; V923-V927 VanDerWaalsContact CG2-CG2 3.46Å; V927-I930 HydrophobicContact CG1-CD1 4.11Å; V927-I930 HydrophobicContact CG1-CG1 3.92Å; V927-V939 HydrophobicContact CG1-CG1 3.52Å
928T93Very high94.1Very high22 Ų2237.9 Ų37.914%0.13519%0.189CC..EExtended strand (participates in β ladder)trans-88.1-24-172.248.90000113.6S868 A926 G940 M967 V968S868-T928 WeakPolarHBondContact CB-O 3.49Å; A926-T928 PolarHBondContact O-N 2.88Å; T928-G940 PolarHBondContact N-O 2.84Å; T928-G940 VanDerWaalsContact N-O 3.14Å; T928-G940 PolarHBondContact OG1-O 2.82Å; T928-M967 HydrophobicContact CG2-CG 4.24Å; T928-M967 HydrophobicContact CG2-SD 3.99Å; T928-V968 WeakPolarHBondContact CB-O 3.31Å; T928-V968 PolarHBondContact OG1-O 2.96Å
929S94.1Very high94.2Very high3 Ų335.2 Ų35.22%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-151.3145.9-17962.20000112.6V939 G940 V968 I971S929-V939 WeakPolarHBondContact O-CA 3.26Å; S929-G940 PolarHBondContact O-N 3.39Å; S929-V968 VanDerWaalsContact OG-CG1 3.25Å; S929-V968 WeakPolarHBondContact OG-CG1 3.3Å; S929-I971 WeakPolarHBondContact OG-CD1 3.42Å; S929-I971 WeakPolarHBondContact OG-CG1 3.34Å
930I95.5Very high94.2Very high7 Ų734.8 Ų34.84%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-137.7133.5177-56.5174.2000107.3A870 L884 I903 V927 L938 V939A870-I930 HydrophobicContact CB-CB 3.97Å; A870-I930 HydrophobicContact CB-CG2 3.73Å; L884-I930 HydrophobicContact CB-CD1 4.03Å; L884-I930 HydrophobicContact CB-CG2 4.23Å; L884-I930 HydrophobicContact CD1-CG2 4.09Å; I903-I930 HydrophobicContact CG2-CD1 4.39Å; V927-I930 HydrophobicContact CG1-CD1 4.11Å; V927-I930 HydrophobicContact CG1-CG1 3.92Å; I930-L938 WeakPolarHBondContact CA-O 3.38Å; I930-V939 HydrophobicContact CG1-CG1 4.46Å
931S94.7Very high94.2Very high15 Ų1532 Ų3211%0.10516%0.162CC..EExtended strand (participates in β ladder)trans-139.1140.7175.5-1790000110.7I937 L938 I971S931-I937 WeakPolarHBondContact O-CA 3.4Å; S931-L938 PolarHBondContact N-O 3.38Å; S931-L938 PolarHBondContact O-N 2.98Å; S931-I971 WeakPolarHBondContact CB-O 3.41Å
932S93.4Very high93.9Very high62 Ų6231.5 Ų31.543%0.43416%0.159SC..EExtended strand (participates in β ladder)trans-68.8139.4168.960.10000110.5S973S932-S973 PolarHBondContact O-OG 2.86Å
933F93.1Very high93.8Very high5 Ų531 Ų312%0.02215%0.154CC..EExtended strand (participates in β ladder)trans-151.5113.2175.7179.2-112.3000111.3G935 R936 L938 L947 I978 Y992F933-G935 VanDerWaalsContact C-N 3.34Å; F933-G935 PolarHBondContact O-N 2.83Å; F933-R936 PolarHBondContact N-O 3.25Å; F933-R936 CarbonylContact O-C 3.59Å; F933-R936 WeakPolarHBondContact O-CA 3.42Å; F933-R936 WeakPolarHBondContact O-CB 3.47Å; F933-R936 PolarHBondContact O-N 2.71Å; F933-R936 VanDerWaalsContact O-O 3.13Å; F933-L938 HydrophobicContact CB-CD1 3.6Å; F933-L938 HydrophobicContact CB-CG 3.81Å; F933-L938 HydrophobicContact CD1-CD1 4.13Å; F933-L938 HydrophobicContact CD1-CG 4.29Å; F933-L938 HydrophobicContact CD2-CD1 4.22Å; F933-L938 HydrophobicContact CG-CD1 3.73Å; F933-L938 HydrophobicContact CG-CG 4.19Å; F933-L947 HydrophobicContact CD1-CD1 3.91Å; F933-I978 HydrophobicContact CD2-CG1 4.41Å; F933-I978 HydrophobicContact CE1-CD1 4.16Å; F933-I978 HydrophobicContact CE2-CD1 4.41Å; F933-I978 HydrophobicContact CE2-CG1 4.08Å; F933-I978 HydrophobicContact CZ-CD1 4.1Å; F933-I978 HydrophobicContact CZ-CG1 4.22Å; F933-Y992 AromaticContact CE1-CD1 3.48Å; F933-Y992 HydrophobicContact CE1-CD1 3.48Å; F933-Y992 VanDerWaalsContact CE1-CD1 3.48Å; F933-Y992 HydrophobicContact CE1-CE1 4.12Å; F933-Y992 AromaticContact CE1-CG 3.82Å; F933-Y992 HydrophobicContact CE1-CG 3.82Å; F933-Y992 AromaticContact CZ-CD1 3.93Å; F933-Y992 HydrophobicContact CZ-CD1 3.93Å; F933-Y992 HydrophobicContact CZ-CG 4.23Å
934R88.9Confident93.8Very high134 Ų13430.6 Ų30.651%0.50615%0.152SC..THydrogen-bonded Turntrans49.545.8175.4-60-176.4175.3-159.8-5.8114.3R936 G975 S976R934-R936 PolarHBondContact O-N 3.05Å; R934-G975 PolarHBondContact NE-O 3.34Å; R934-G975 VanDerWaalsContact NE-O 3.11Å; R934-G975 PolarHBondContact NH2-O 3.24Å; R934-S976 VanDerWaalsContact NH2-CA 3.3Å
935G89.4Confident93.9Very high24 Ų2424.3 Ų24.325%0.24712%0.122CC..THydrogen-bonded Turntrans69.115-177.200000114.6F874 A875 F933F874-G935 CarbonylContact C-O 3.46Å; F874-G935 WeakPolarHBondContact CA-O 3.43Å; A875-G935 PolarHBondContact N-O 2.87Å; F933-G935 VanDerWaalsContact C-N 3.34Å; F933-G935 PolarHBondContact O-N 2.83Å
936R93.2Very high94Very high65 Ų6522.3 Ų22.325%0.24511%0.113CC..EExtended strand (participates in β ladder)trans-126.9-175.9172.6-63.5-179.6-175.9166.35108.5F933 R934 L947 Y948 E949 Y992F933-R936 PolarHBondContact N-O 3.25Å; F933-R936 CarbonylContact O-C 3.59Å; F933-R936 WeakPolarHBondContact O-CA 3.42Å; F933-R936 WeakPolarHBondContact O-CB 3.47Å; F933-R936 PolarHBondContact O-N 2.71Å; F933-R936 VanDerWaalsContact O-O 3.13Å; R934-R936 PolarHBondContact O-N 3.05Å; R936-L947 HydrophobicContact CB-CD1 4.07Å; R936-L947 HydrophobicContact CB-CG 4.49Å; R936-Y948 WeakPolarHBondContact CB-O 3.45Å; R936-E949 IonicContact NE-OE1 2.9Å; R936-Y992 PolarHBondContact NH1-OH 2.8Å
937I95.1Very high94.1Very high0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-126.5140.8178.165.5178.7000112V872 F874 L884 S931 V939 L947 Y948 L955V872-I937 HydrophobicContact CB-CG2 4.07Å; V872-I937 HydrophobicContact CG1-CG2 3.49Å; V872-I937 VanDerWaalsContact CG1-CG2 3.49Å; V872-I937 HydrophobicContact CG2-CG2 3.69Å; F874-I937 HydrophobicContact CE1-CD1 4.48Å; F874-I937 HydrophobicContact CE1-CG1 4.39Å; F874-I937 HydrophobicContact CE1-CG2 3.67Å; F874-I937 HydrophobicContact CZ-CD1 4.31Å; F874-I937 HydrophobicContact CZ-CG2 3.84Å; L884-I937 HydrophobicContact CD1-CB 4.36Å; L884-I937 HydrophobicContact CD1-CD1 3.58Å; L884-I937 HydrophobicContact CD1-CG2 3.67Å; S931-I937 WeakPolarHBondContact O-CA 3.4Å; I937-V939 HydrophobicContact CD1-CG2 3.86Å; I937-V939 HydrophobicContact CG1-CG2 3.98Å; I937-L947 CarbonylContact O-C 3.57Å; I937-L947 WeakPolarHBondContact O-CA 3.4Å; I937-L947 WeakPolarHBondContact O-CD1 3.4Å; I937-Y948 PolarHBondContact N-O 3.32Å; I937-Y948 PolarHBondContact O-N 3.25Å; I937-L955 HydrophobicContact CD1-CD1 3.76Å; I937-L955 HydrophobicContact CD1-CD2 3.98Å; I937-L955 HydrophobicContact CD1-CG 4.42Å
938L96Very high94.1Very high0 Ų022.8 Ų22.80%011%0.113CC..EExtended strand (participates in β ladder)trans-99132.5166.4-68.9165.3000108.3I930 S931 F933 L945 R946 L947 I971 I978 L999I930-L938 WeakPolarHBondContact CA-O 3.38Å; S931-L938 PolarHBondContact N-O 3.38Å; S931-L938 PolarHBondContact O-N 2.98Å; F933-L938 HydrophobicContact CB-CD1 3.6Å; F933-L938 HydrophobicContact CB-CG 3.81Å; F933-L938 HydrophobicContact CD1-CD1 4.13Å; F933-L938 HydrophobicContact CD1-CG 4.29Å; F933-L938 HydrophobicContact CD2-CD1 4.22Å; F933-L938 HydrophobicContact CG-CD1 3.73Å; F933-L938 HydrophobicContact CG-CG 4.19Å; L938-L945 HydrophobicContact CB-CD1 4.47Å; L938-L945 HydrophobicContact CD2-CD1 4.42Å; L938-R946 CarbonylContact C-O 3.57Å; L938-R946 WeakPolarHBondContact CA-O 3.47Å; L938-L947 HydrophobicContact CD2-CB 4.35Å; L938-L947 HydrophobicContact CD2-CD1 3.6Å; L938-L947 HydrophobicContact CG-CD1 4.04Å; L938-I971 HydrophobicContact CB-CG2 4.21Å; L938-I971 HydrophobicContact CD1-CG2 4.21Å; L938-I978 HydrophobicContact CD1-CB 4.33Å; L938-I978 HydrophobicContact CD1-CD1 3.57Å; L938-I978 HydrophobicContact CD1-CG1 3.66Å; L938-I978 HydrophobicContact CD1-CG2 3.72Å; L938-I978 HydrophobicContact CD2-CD1 3.9Å; L938-I978 HydrophobicContact CG-CD1 4.38Å; L938-L999 HydrophobicContact CD2-CD2 4.49Å
939V96.7Very high94.1Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-130.8126.9-176.8-174.50000109.2I903 V927 S929 I930 I937 V941 R946 Y948I903-V939 HydrophobicContact CD1-CG1 3.97Å; I903-V939 HydrophobicContact CD1-CG2 4.23Å; V927-V939 HydrophobicContact CG1-CG1 3.52Å; S929-V939 WeakPolarHBondContact O-CA 3.26Å; I930-V939 HydrophobicContact CG1-CG1 4.46Å; I937-V939 HydrophobicContact CD1-CG2 3.86Å; I937-V939 HydrophobicContact CG1-CG2 3.98Å; V939-V941 HydrophobicContact CG1-CG2 3.79Å; V939-R946 PolarHBondContact N-O 2.88Å; V939-R946 PolarHBondContact O-N 3.5Å; V939-Y948 HydrophobicContact CB-CD2 4.19Å; V939-Y948 HydrophobicContact CB-CE2 4.33Å; V939-Y948 HydrophobicContact CG2-CD2 3.88Å; V939-Y948 HydrophobicContact CG2-CE2 4.41Å
940G95.7Very high94.1Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-86.7111.7168.500000110.2T928 S929T928-G940 PolarHBondContact N-O 2.84Å; T928-G940 VanDerWaalsContact N-O 3.14Å; T928-G940 PolarHBondContact OG1-O 2.82Å; S929-G940 PolarHBondContact O-N 3.39Å
941V95.3Very high94Very high3 Ų325.1 Ų25.12%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-113.190.4176.4-175.90000107.5V923 E925 V939 K943 A944V923-V941 HydrophobicContact CB-CG1 4.17Å; V923-V941 HydrophobicContact CG2-CG1 4.23Å; E925-V941 HydrophobicContact CB-CG1 3.92Å; V939-V941 HydrophobicContact CG1-CG2 3.79Å; V941-K943 PolarHBondContact O-N 3.05Å; V941-K943 VanDerWaalsContact O-N 3.13Å; V941-A944 PolarHBondContact N-O 3.28Å; V941-A944 WeakPolarHBondContact O-CB 3.33Å; V941-A944 PolarHBondContact O-N 2.63Å
942G91.9Very high93.8Very high0 Ų033.2 Ų33.20%016%0.158CC..THydrogen-bonded Turntrans56-114.5-170.300000112.1E925 A926 M967 V968E925-G942 WeakPolarHBondContact OE2-CA 3.5Å; A926-G942 PolarHBondContact O-N 2.92Å; G942-M967 WeakPolarHBondContact O-CA 3.4Å; G942-V968 PolarHBondContact O-N 3.06Å
943K93Very high93.7Very high110 Ų11039.3 Ų39.348%0.47818%0.177SC..THydrogen-bonded Turntrans-87.6-0.8175.668.9178.4178.8-179.20115.2V941 I964 Y966V941-K943 PolarHBondContact O-N 3.05Å; V941-K943 VanDerWaalsContact O-N 3.13Å; K943-I964 WeakPolarHBondContact O-CB 3.18Å; K943-Y966 WeakPolarHBondContact CB-O 3.16Å
944A94.8Very high93.8Very high6 Ų644.9 Ų44.95%0.0520%0.201CC..EExtended strand (participates in β ladder)trans-101.7125.8-17800000111.2V941 R946 E960 N961 R962V941-A944 PolarHBondContact N-O 3.28Å; V941-A944 WeakPolarHBondContact O-CB 3.33Å; V941-A944 PolarHBondContact O-N 2.63Å; A944-R946 HydrophobicContact CB-CG 4.47Å; A944-E960 HydrophobicContact CB-CG 4.44Å; A944-N961 CarbonylContact C-O 3.53Å; A944-N961 WeakPolarHBondContact CA-O 3.29Å; A944-R962 HydrophobicContact CB-CG 4.28Å
945L95.7Very high94.1Very high0 Ų038.7 Ų38.70%018%0.178CC..EExtended strand (participates in β ladder)trans-92.8119.4167.417968.3000109.1L938 E960 N961 I964 I971 I978 V980 F990 L999L938-L945 HydrophobicContact CB-CD1 4.47Å; L938-L945 HydrophobicContact CD2-CD1 4.42Å; L945-E960 CarbonylContact O-C 3.58Å; L945-E960 WeakPolarHBondContact O-CA 3.28Å; L945-N961 PolarHBondContact N-O 3.15Å; L945-N961 PolarHBondContact O-N 3.3Å; L945-I964 HydrophobicContact CB-CD1 3.71Å; L945-I971 HydrophobicContact CD1-CD1 3.5Å; L945-I971 VanDerWaalsContact CD1-CD1 3.5Å; L945-I971 HydrophobicContact CD1-CG1 4.25Å; L945-I978 HydrophobicContact CD2-CG2 4.4Å; L945-V980 HydrophobicContact CD1-CG2 4.39Å; L945-V980 HydrophobicContact CD2-CG2 3.86Å; L945-F990 HydrophobicContact CD2-CD1 4.42Å; L945-F990 HydrophobicContact CD2-CD2 4.38Å; L945-F990 HydrophobicContact CD2-CG 4.28Å; L945-L999 HydrophobicContact CD2-CD1 3.86Å; L945-L999 HydrophobicContact CD2-CD2 4.43Å; L945-L999 HydrophobicContact CG-CD1 3.93Å
946R95.3Very high94.4Very high9 Ų941.2 Ų41.23%0.03419%0.185CC..EExtended strand (participates in β ladder)trans-121.4139.8-176.3-67.6175.4178.3170.51.7111.3E924 L938 V939 A944 Y948 C959 E960E924-R946 IonicContact OE2-CZ 2.78Å; E924-R946 IonicContact OE2-NH2 3.58Å; E924-R946 PolarHBondContact OE2-NH2 2.98Å; L938-R946 CarbonylContact C-O 3.57Å; L938-R946 WeakPolarHBondContact CA-O 3.47Å; V939-R946 PolarHBondContact N-O 2.88Å; V939-R946 PolarHBondContact O-N 3.5Å; A944-R946 HydrophobicContact CB-CG 4.47Å; R946-Y948 HydrophobicContact CB-CD2 3.89Å; R946-Y948 HydrophobicContact CB-CE2 3.46Å; R946-Y948 VanDerWaalsContact CB-CE2 3.46Å; R946-Y948 HydrophobicContact CG-CE2 4.27Å; R946-C959 WeakPolarHBondContact CA-O 3.32Å; R946-E960 HydrophobicContact CG-CB 4.11Å; R946-E960 HydrophobicContact CG-CG 3.86Å; R946-E960 IonicContact CZ-OE1 3.9Å; R946-E960 VanDerWaalsContact NE-CD 3.33Å; R946-E960 IonicContact NE-OE1 3.17Å; R946-E960 PolarHBondContact NE-OE1 3.03Å; R946-E960 VanDerWaalsContact NE-OE1 3.12Å; R946-E960 IonicContact NE-OE2 3.01Å; R946-E960 IonicContact NH2-OE1 3.61Å; R946-E960 PolarHBondContact NH2-OE1 3.21Å; R946-E960 IonicContact NH2-OE2 2.9Å
947L95.2Very high94.5Very high0 Ų044.4 Ų44.40%020%0.197CC..EExtended strand (participates in β ladder)trans-98.5125.2168.5-171.375.7000108.9F933 R936 I937 L938 K958 C959 Y992F933-L947 HydrophobicContact CD1-CD1 3.91Å; R936-L947 HydrophobicContact CB-CD1 4.07Å; R936-L947 HydrophobicContact CB-CG 4.49Å; I937-L947 CarbonylContact O-C 3.57Å; I937-L947 WeakPolarHBondContact O-CA 3.4Å; I937-L947 WeakPolarHBondContact O-CD1 3.4Å; L938-L947 HydrophobicContact CD2-CB 4.35Å; L938-L947 HydrophobicContact CD2-CD1 3.6Å; L938-L947 HydrophobicContact CG-CD1 4.04Å; L947-K958 HydrophobicContact CD2-CB 4.43Å; L947-K958 PolarHBondContact O-N 3.42Å; L947-C959 HydrophobicContact CB-CB 3.89Å; L947-C959 PolarHBondContact N-O 2.84Å; L947-C959 PolarHBondContact O-N 2.69Å; L947-Y992 HydrophobicContact CD2-CE1 4.36Å; L947-Y992 HydrophobicContact CD2-CE2 3.72Å; L947-Y992 WeakPolarHBondContact CD2-OH 3.48Å
948Y95.3Very high94.4Very high13 Ų1348.6 Ų48.65%0.05122%0.215CC..EExtended strand (participates in β ladder)trans-118151.2177-76.1-98.5000111.8R936 I937 V939 R946 L955 L956 R957R936-Y948 WeakPolarHBondContact CB-O 3.45Å; I937-Y948 PolarHBondContact N-O 3.32Å; I937-Y948 PolarHBondContact O-N 3.25Å; V939-Y948 HydrophobicContact CB-CD2 4.19Å; V939-Y948 HydrophobicContact CB-CE2 4.33Å; V939-Y948 HydrophobicContact CG2-CD2 3.88Å; V939-Y948 HydrophobicContact CG2-CE2 4.41Å; R946-Y948 HydrophobicContact CB-CD2 3.89Å; R946-Y948 HydrophobicContact CB-CE2 3.46Å; R946-Y948 VanDerWaalsContact CB-CE2 3.46Å; R946-Y948 HydrophobicContact CG-CE2 4.27Å; Y948-L955 HydrophobicContact CD1-CB 3.49Å; Y948-L955 VanDerWaalsContact CD1-CB 3.49Å; Y948-L955 HydrophobicContact CE1-CB 4.16Å; Y948-L955 HydrophobicContact CG-CB 4.14Å; Y948-L956 WeakPolarHBondContact CA-O 3.4Å; Y948-R957 HydrophobicContact CD1-CB 4.13Å; Y948-R957 HydrophobicContact CE1-CB 3.78Å
949E94.5Very high94.3Very high48 Ų4849.1 Ų49.122%0.22422%0.219CC..EExtended strand (participates in β ladder)trans-118.4155.6171.5-171.4169-128.400109.9R936 L956 K958R936-E949 IonicContact NE-OE1 2.9Å; E949-L956 PolarHBondContact N-O 2.88Å; E949-L956 PolarHBondContact O-N 3.41Å; E949-K958 HydrophobicContact CB-CG 4.14Å; E949-K958 WeakPolarHBondContact OE2-CE 3.3Å; E949-K958 IonicContact OE2-NZ 2.74Å; E949-K958 PolarHBondContact OE2-NZ 3.43Å
950F94.5Very high94.1Very high24 Ų2451.5 Ų51.511%0.10523%0.23CC..  trans-61.4137.5177.8-174.9-104.2000111.8F874 F882F874-F950 HydrophobicContact CB-CB 4.01Å; F874-F950 HydrophobicContact CD1-CB 3.72Å; F874-F950 HydrophobicContact CD2-CB 3.9Å; F874-F950 AromaticContact CD2-CD2 3.77Å; F874-F950 HydrophobicContact CD2-CD2 3.77Å; F874-F950 HydrophobicContact CD2-CG 4.13Å; F874-F950 HydrophobicContact CE1-CB 4.05Å; F874-F950 HydrophobicContact CE2-CB 4.25Å; F874-F950 AromaticContact CE2-CD2 3.78Å; F874-F950 HydrophobicContact CE2-CD2 3.78Å; F874-F950 HydrophobicContact CE2-CG 4.45Å; F874-F950 HydrophobicContact CG-CB 3.62Å; F874-F950 HydrophobicContact CG-CD2 4.38Å; F874-F950 HydrophobicContact CG-CG 4.29Å; F874-F950 HydrophobicContact CZ-CB 4.31Å; F874-F950 HydrophobicContact CZ-CD2 4.37Å; F882-F950 HydrophobicContact CD1-CE2 4.19Å; F882-F950 HydrophobicContact CE1-CD2 4.35Å; F882-F950 AromaticContact CE1-CE2 3.58Å; F882-F950 HydrophobicContact CE1-CE2 3.58Å; F882-F950 AromaticContact CE1-CZ 4Å; F882-F950 HydrophobicContact CE1-CZ 4Å; F882-F950 HydrophobicContact CZ-CD2 4.42Å; F882-F950 AromaticContact CZ-CE2 3.91Å; F882-F950 HydrophobicContact CZ-CE2 3.91Å; F882-F950 HydrophobicContact CZ-CZ 4.13Å
951G92.9Very high94Very high10 Ų1052 Ų5210%0.10323%0.233CC..  trans-144.4141.7171.600000110.1H919 K953 K954H919-G951 PolarHBondContact CD2-O 2.91Å; H919-G951 VanDerWaalsContact CD2-O 3.27Å; H919-G951 PolarHBondContact NE2-O 2.93Å; H919-G951 VanDerWaalsContact NE2-O 3.11Å; G951-K953 PolarHBondContact O-N 3.4Å; G951-K953 VanDerWaalsContact O-N 3.09Å; G951-K954 CarbonylContact C-O 3.1Å; G951-K954 VanDerWaalsContact CA-O 3.24Å; G951-K954 WeakPolarHBondContact CA-O 3.16Å; G951-K954 PolarHBondContact O-N 3.17Å
952K89.9Confident93.7Very high185 Ų18558.5 Ų58.580%0.80426%0.257SS*.SBendtrans-58.8-28.4-172.1-65.5-173.6176-174.40115
953K92.5Very high93.4Very high189 Ų18964.6 Ų64.682%0.82229%0.285SS*.SBendtrans-105.5-26.3-178.6-65.8-172.2177.1-174.40113.6H919 G951H919-K953 WeakPolarHBondContact CB-O 3.44Å; G951-K953 PolarHBondContact O-N 3.4Å; G951-K953 VanDerWaalsContact O-N 3.09Å
954K94.6Very high93.3Very high123 Ų12359.5 Ų59.554%0.53526%0.263SS..SBendtrans-169.4159.6-176.163.2178.7-177.1178.60109.3T921 G951 L956T921-K954 HydrophobicContact CG2-CB 4.21Å; T921-K954 WeakPolarHBondContact OG1-CA 3.08Å; G951-K954 CarbonylContact C-O 3.1Å; G951-K954 VanDerWaalsContact CA-O 3.24Å; G951-K954 WeakPolarHBondContact CA-O 3.16Å; G951-K954 PolarHBondContact O-N 3.17Å; K954-L956 HydrophobicContact CG-CD2 4.43Å
955L95.6Very high93Very high4 Ų462.5 Ų62.52%0.02128%0.282CS..  trans-69.1135.6171.4-65.3163000110.6F874 L884 I903 T921 I937 Y948F874-L955 HydrophobicContact CE1-CD2 4.38Å; F874-L955 HydrophobicContact CZ-CD2 3.86Å; L884-L955 HydrophobicContact CD2-CD1 4.37Å; I903-L955 HydrophobicContact CB-CD1 4.06Å; I903-L955 HydrophobicContact CD1-CD1 3.98Å; I903-L955 HydrophobicContact CG2-CD1 3.65Å; T921-L955 HydrophobicContact CG2-CB 4.29Å; T921-L955 PolarHBondContact OG1-N 2.8Å; I937-L955 HydrophobicContact CD1-CD1 3.76Å; I937-L955 HydrophobicContact CD1-CD2 3.98Å; I937-L955 HydrophobicContact CD1-CG 4.42Å; Y948-L955 HydrophobicContact CD1-CB 3.49Å; Y948-L955 VanDerWaalsContact CD1-CB 3.49Å; Y948-L955 HydrophobicContact CE1-CB 4.16Å; Y948-L955 HydrophobicContact CG-CB 4.14Å
956L95.3Very high92.8Very high76 Ų7668 Ų6840%0.39830%0.304SS..EExtended strand (participates in β ladder)trans-98.9113.3-176.8-58.7179.1000110.4Y948 E949 K954 K958Y948-L956 WeakPolarHBondContact CA-O 3.4Å; E949-L956 PolarHBondContact N-O 2.88Å; E949-L956 PolarHBondContact O-N 3.41Å; K954-L956 HydrophobicContact CG-CD2 4.43Å; L956-K958 PolarHBondContact O-N 3.07Å
957R94.9Very high92.6Very high132 Ų13269.4 Ų69.450%0.49831%0.311SS..EExtended strand (participates in β ladder)trans-66.1128.2175.8-174.2-17966.4-169.3-7.3110.3Y948 E960Y948-R957 HydrophobicContact CD1-CB 4.13Å; Y948-R957 HydrophobicContact CE1-CB 3.78Å; R957-E960 IonicContact CZ-OE2 2.86Å; R957-E960 IonicContact NE-OE2 2.68Å; R957-E960 IonicContact NH1-OE2 3.18Å; R957-E960 PolarHBondContact NH1-OE2 3.47Å
958K93.6Very high92.6Very high88 Ų8869.4 Ų69.438%0.38331%0.311SS..EExtended strand (participates in β ladder)trans-110.1-40179.3-61.4-61.3178.3154.20113.5L947 E949 L956L947-K958 HydrophobicContact CD2-CB 4.43Å; L947-K958 PolarHBondContact O-N 3.42Å; E949-K958 HydrophobicContact CB-CG 4.14Å; E949-K958 WeakPolarHBondContact OE2-CE 3.3Å; E949-K958 IonicContact OE2-NZ 2.74Å; E949-K958 PolarHBondContact OE2-NZ 3.43Å; L956-K958 PolarHBondContact O-N 3.07Å
959C92.4Very high92.5Very high11 Ų1170.3 Ų70.37%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-139.1153.4-179.8-177.80000109.3R946 L947 N997 L999R946-C959 WeakPolarHBondContact CA-O 3.32Å; L947-C959 HydrophobicContact CB-CB 3.89Å; L947-C959 PolarHBondContact N-O 2.84Å; L947-C959 PolarHBondContact O-N 2.69Å; C959-N997 VanDerWaalsContact CB-O 3.23Å; C959-N997 WeakPolarHBondContact CB-O 3.47Å; C959-N997 PolarHBondContact SG-O 2.73Å; C959-L999 HydrophobicContact CB-CD1 4.43Å
960E93.6Very high92.4Very high50 Ų5069.5 Ų69.523%0.23432%0.315CS..EExtended strand (participates in β ladder)trans-146.3137.9173.4180168.1-173.600109.8A944 L945 R946 R957 R962A944-E960 HydrophobicContact CB-CG 4.44Å; L945-E960 CarbonylContact O-C 3.58Å; L945-E960 WeakPolarHBondContact O-CA 3.28Å; R946-E960 HydrophobicContact CG-CB 4.11Å; R946-E960 HydrophobicContact CG-CG 3.86Å; R946-E960 IonicContact CZ-OE1 3.9Å; R946-E960 VanDerWaalsContact NE-CD 3.33Å; R946-E960 IonicContact NE-OE1 3.17Å; R946-E960 PolarHBondContact NE-OE1 3.03Å; R946-E960 VanDerWaalsContact NE-OE1 3.12Å; R946-E960 IonicContact NE-OE2 3.01Å; R946-E960 IonicContact NH2-OE1 3.61Å; R946-E960 PolarHBondContact NH2-OE1 3.21Å; R946-E960 IonicContact NH2-OE2 2.9Å; R957-E960 IonicContact CZ-OE2 2.86Å; R957-E960 IonicContact NE-OE2 2.68Å; R957-E960 IonicContact NH1-OE2 3.18Å; R957-E960 PolarHBondContact NH1-OE2 3.47Å; E960-R962 HydrophobicContact CG-CG 4.09Å; E960-R962 IonicContact OE1-CZ 3.2Å; E960-R962 VanDerWaalsContact OE1-CZ 3.28Å; E960-R962 IonicContact OE1-NE 2.85Å; E960-R962 PolarHBondContact OE1-NE 2.66Å; E960-R962 IonicContact OE1-NH2 2.76Å; E960-R962 PolarHBondContact OE1-NH2 2.78Å; E960-R962 IonicContact OE2-NH2 2.81Å
961N92.6Very high92.5Very high11 Ų1168.4 Ų68.46%0.05931%0.311CS..EExtended strand (participates in β ladder)trans-125.9135.4167.3-173.9-46.9000108.7A944 L945 H963 F990 L999A944-N961 CarbonylContact C-O 3.53Å; A944-N961 WeakPolarHBondContact CA-O 3.29Å; L945-N961 PolarHBondContact N-O 3.15Å; L945-N961 PolarHBondContact O-N 3.3Å; N961-H963 PolarHBondContact ND2-ND1 2.69Å; N961-H963 WeakPolarHBondContact OD1-CB 3.12Å; N961-H963 PolarHBondContact OD1-N 2.82Å; N961-H963 PolarHBondContact OD1-ND1 2.88Å; N961-F990 HydrophobicContact CB-CE1 4.45Å; N961-L999 HydrophobicContact CB-CB 4.01Å; N961-L999 HydrophobicContact CB-CD1 4.46Å; N961-L999 PolarHBondContact ND2-O 2.97Å
962R90.7Very high92.6Very high139 Ų13970.4 Ų70.453%0.52532%0.319SS..  trans-119.612.1-176.9-63.2-176.7174.9-170.5-4.8113.5A944 E960 I964A944-R962 HydrophobicContact CB-CG 4.28Å; E960-R962 HydrophobicContact CG-CG 4.09Å; E960-R962 IonicContact OE1-CZ 3.2Å; E960-R962 VanDerWaalsContact OE1-CZ 3.28Å; E960-R962 IonicContact OE1-NE 2.85Å; E960-R962 PolarHBondContact OE1-NE 2.66Å; E960-R962 IonicContact OE1-NH2 2.76Å; E960-R962 PolarHBondContact OE1-NH2 2.78Å; E960-R962 IonicContact OE2-NH2 2.81Å; R962-I964 PolarHBondContact O-N 2.89Å
963H85Confident92.8Very high128 Ų12863.3 Ų63.359%0.59329%0.293SS*.  trans-82.53.3-177.1-59.2105.2000113.2N961N961-H963 PolarHBondContact ND2-ND1 2.69Å; N961-H963 WeakPolarHBondContact OD1-CB 3.12Å; N961-H963 PolarHBondContact OD1-N 2.82Å; N961-H963 PolarHBondContact OD1-ND1 2.88Å
964I90.1Very high92.7Very high4 Ų458.2 Ų58.22%0.02127%0.273CS..  trans-75.2132176.3-60.7163.4000108.3K943 L945 R962 V968 V980 D982 L988 F990K943-I964 WeakPolarHBondContact O-CB 3.18Å; L945-I964 HydrophobicContact CB-CD1 3.71Å; R962-I964 PolarHBondContact O-N 2.89Å; I964-V968 HydrophobicContact CD1-CG2 3.64Å; I964-V968 HydrophobicContact CG2-CG2 4.23Å; I964-V980 HydrophobicContact CD1-CG1 3.94Å; I964-D982 HydrophobicContact CG2-CB 4.49Å; I964-D982 WeakPolarHBondContact CG2-OD2 3.42Å; I964-L988 HydrophobicContact CB-CD1 4.38Å; I964-L988 HydrophobicContact CG1-CD1 4.05Å; I964-L988 HydrophobicContact CG2-CD1 4.04Å; I964-F990 HydrophobicContact CD1-CE2 4.42Å; I964-F990 HydrophobicContact CD1-CZ 4.2Å; I964-F990 HydrophobicContact CG1-CE2 4.28Å; I964-F990 HydrophobicContact CG1-CZ 3.83Å
965P88.2Confident92.4Very high68 Ų6855 Ų5544%0.44227%0.274SS..SBendtrans-62.9-50.8-169.6-27.737.5000115.1E985P965-E985 HydrophobicContact CB-CG 3.98Å; P965-E985 HydrophobicContact CG-CB 4.12Å; P965-E985 HydrophobicContact CG-CG 3.96Å
966Y91.3Very high92Very high115 Ų11556.3 Ų56.345%0.45128%0.284SS..SBendtrans-123.5-72.6-168.3-64-75.7000113.3K943 D982 Q984 E985K943-Y966 WeakPolarHBondContact CB-O 3.16Å; Y966-D982 PolarHBondContact N-OD2 3.38Å; Y966-Q984 HydrophobicContact CD2-CB 3.89Å; Y966-Q984 HydrophobicContact CD2-CG 4.42Å; Y966-Q984 HydrophobicContact CE2-CB 4.16Å; Y966-Q984 HydrophobicContact CE2-CG 4.18Å; Y966-E985 HydrophobicContact CD2-CG 3.89Å; Y966-E985 HydrophobicContact CE2-CG 3.69Å
967M92.8Very high91.9Very high39 Ų3953.3 Ų53.319%0.19227%0.267CS..  trans-160.8131.8-173.9-175.4175.270.700110.2R896 T928 G942 T969 D982 V983R896-M967 PolarHBondContact NH2-SD 3.4Å; T928-M967 HydrophobicContact CG2-CG 4.24Å; T928-M967 HydrophobicContact CG2-SD 3.99Å; G942-M967 WeakPolarHBondContact O-CA 3.4Å; M967-T969 PolarHBondContact O-N 3.45Å; M967-D982 PolarHBondContact N-OD2 3.15Å; M967-D982 CarbonylContact O-C 3.6Å; M967-D982 WeakPolarHBondContact O-CA 3.36Å; M967-V983 HydrophobicContact CB-CB 4.33Å; M967-V983 HydrophobicContact CB-CG1 3.91Å; M967-V983 HydrophobicContact CE-CB 4.22Å; M967-V983 HydrophobicContact CE-CG2 4.09Å; M967-V983 PolarHBondContact O-N 3.03Å
968V94.3Very high91.9Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-70.9127.5173.9-177.70000109.6T928 S929 G942 I964 I971 V980 C981T928-V968 WeakPolarHBondContact CB-O 3.31Å; T928-V968 PolarHBondContact OG1-O 2.96Å; S929-V968 VanDerWaalsContact OG-CG1 3.25Å; S929-V968 WeakPolarHBondContact OG-CG1 3.3Å; G942-V968 PolarHBondContact O-N 3.06Å; I964-V968 HydrophobicContact CD1-CG2 3.64Å; I964-V968 HydrophobicContact CG2-CG2 4.23Å; V968-I971 HydrophobicContact CG1-CD1 4.01Å; V968-I971 HydrophobicContact CG1-CG1 3.65Å; V968-V980 HydrophobicContact CB-CG1 4.39Å; V968-V980 HydrophobicContact CG1-CG1 3.79Å; V968-V980 HydrophobicContact CG2-CG1 3.83Å; V968-C981 CarbonylContact C-O 3.32Å; V968-C981 WeakPolarHBondContact CA-O 3.35Å
969T92.8Very high92Very high33 Ų3342.8 Ų42.820%0.20223%0.225CC..EExtended strand (participates in β ladder)trans-98-42173.554.10000111.7M967 C981 V983M967-T969 PolarHBondContact O-N 3.45Å; T969-C981 PolarHBondContact N-O 3.18Å; T969-C981 WeakPolarHBondContact OG1-CB 3.31Å; T969-C981 PolarHBondContact OG1-O 2.92Å; T969-V983 HydrophobicContact CG2-CB 3.68Å; T969-V983 HydrophobicContact CG2-CG2 4.03Å
970N93.8Very high92.1Very high30 Ų3042.3 Ų42.316%0.1622%0.221CC..EExtended strand (participates in β ladder)trans-150.4154.9-178.8-165.111.8000111.4C981 F1014N970-C981 HydrophobicContact CB-CB 4.41Å; N970-C981 PolarHBondContact O-N 3.46Å; N970-F1014 HydrophobicContact CB-CD1 3.99Å; N970-F1014 HydrophobicContact CB-CE1 3.65Å
971I95.4Very high92.2Very high2 Ų239.9 Ų39.91%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-135.8131180-59.4164.4000108.5S929 S931 L938 L945 V968 I978 Y979S929-I971 WeakPolarHBondContact OG-CD1 3.42Å; S929-I971 WeakPolarHBondContact OG-CG1 3.34Å; S931-I971 WeakPolarHBondContact CB-O 3.41Å; L938-I971 HydrophobicContact CB-CG2 4.21Å; L938-I971 HydrophobicContact CD1-CG2 4.21Å; L945-I971 HydrophobicContact CD1-CD1 3.5Å; L945-I971 VanDerWaalsContact CD1-CD1 3.5Å; L945-I971 HydrophobicContact CD1-CG1 4.25Å; V968-I971 HydrophobicContact CG1-CD1 4.01Å; V968-I971 HydrophobicContact CG1-CG1 3.65Å; I971-I978 HydrophobicContact CG2-CG2 3.97Å; I971-Y979 WeakPolarHBondContact CA-O 3.32Å
972L95.2Very high92.3Very high51 Ų5139.4 Ų39.427%0.26721%0.208SC..EExtended strand (participates in β ladder)trans-129.2158.7169.3-63.2178.7000109.1Y979 F1014 L1016L972-Y979 PolarHBondContact N-O 2.87Å; L972-Y979 PolarHBondContact O-N 3.14Å; L972-F1014 HydrophobicContact CB-CE2 3.76Å; L972-F1014 HydrophobicContact CB-CZ 3.71Å; L972-F1014 HydrophobicContact CD1-CD2 3.9Å; L972-F1014 HydrophobicContact CD1-CE1 4.48Å; L972-F1014 HydrophobicContact CD1-CE2 3.54Å; L972-F1014 HydrophobicContact CD1-CZ 3.87Å; L972-F1014 HydrophobicContact CG-CE1 4.24Å; L972-F1014 HydrophobicContact CG-CE2 3.73Å; L972-F1014 HydrophobicContact CG-CZ 3.57Å; L972-L1016 HydrophobicContact CB-CD1 3.89Å; L972-L1016 HydrophobicContact CB-CG 4.11Å; L972-L1016 HydrophobicContact CD1-CG 4Å
973S93.6Very high92.5Very high37 Ų3735 Ų3526%0.25920%0.196SC..EExtended strand (participates in β ladder)trans-141.7143.4179.568.30000111.4S932 R977S932-S973 PolarHBondContact O-OG 2.86Å; S973-R977 WeakPolarHBondContact CA-O 2.97Å
974M92Very high92.9Very high82 Ų8230.9 Ų30.940%0.40418%0.177SC..EExtended strand (participates in β ladder)trans-139.8118.3175.4-169.6177.7-178.900108.7S976 R977 Y979 L1016 F1019M974-S976 PolarHBondContact O-N 3.45Å; M974-R977 PolarHBondContact N-O 3.24Å; M974-R977 PolarHBondContact O-N 2.85Å; M974-Y979 HydrophobicContact CB-CE2 3.95Å; M974-L1016 HydrophobicContact CB-CD1 4.02Å; M974-F1019 HydrophobicContact CB-CD2 4.45Å; M974-F1019 HydrophobicContact CE-CB 4.38Å; M974-F1019 HydrophobicContact CG-CD2 4.13Å; M974-F1019 HydrophobicContact SD-CB 4.15Å; M974-F1019 HydrophobicContact SD-CD2 4.12Å
975G87.1Confident93Very high55 Ų5533.1 Ų33.157%0.56719%0.188SC*.THydrogen-bonded Turntrans61.6-107.418000000114R934R934-G975 PolarHBondContact NE-O 3.34Å; R934-G975 VanDerWaalsContact NE-O 3.11Å; R934-G975 PolarHBondContact NH2-O 3.24Å
976S86.8Confident93.3Very high31 Ų3129.9 Ų29.922%0.21717%0.167CC..THydrogen-bonded Turntrans-102.8-10177.249.60000114.3R934 M974 Y992R934-S976 VanDerWaalsContact NH2-CA 3.3Å; M974-S976 PolarHBondContact O-N 3.45Å; S976-Y992 PolarHBondContact O-N 3.14Å
977R92.8Very high93.4Very high13 Ų1324.4 Ų24.45%0.04915%0.145CC..EExtended strand (participates in β ladder)trans-96.3147.3-177.8-68.8-179.2179.6171-2.7110.9S973 M974 Y979 F990 F1002 F1019 D1020 D1042S973-R977 WeakPolarHBondContact CA-O 2.97Å; M974-R977 PolarHBondContact N-O 3.24Å; M974-R977 PolarHBondContact O-N 2.85Å; R977-Y979 HydrophobicContact CB-CE2 3.93Å; R977-F990 CarbonylContact C-O 3.5Å; R977-F990 WeakPolarHBondContact CA-O 3.31Å; R977-F1002 HydrophobicContact CG-CE1 4.36Å; R977-F1002 HydrophobicContact CG-CZ 4.23Å; R977-F1019 HydrophobicContact CB-CE2 4.27Å; R977-F1019 VanDerWaalsContact CD-CZ 3.4Å; R977-F1019 HydrophobicContact CG-CE2 3.99Å; R977-F1019 HydrophobicContact CG-CZ 3.74Å; R977-F1019 VanDerWaalsContact NE-CE1 3.32Å; R977-F1019 PolarHBondContact NH1-O 3.05Å; R977-D1020 IonicContact CZ-OD1 3.78Å; R977-D1020 IonicContact NH1-OD1 2.66Å; R977-D1020 PolarHBondContact NH1-OD1 2.88Å; R977-D1020 IonicContact NH2-OD1 3.52Å; R977-D1042 IonicContact CZ-OD1 3.32Å; R977-D1042 VanDerWaalsContact CZ-OD1 3.29Å; R977-D1042 IonicContact CZ-OD2 2.57Å; R977-D1042 VanDerWaalsContact NE-CG 3.32Å; R977-D1042 IonicContact NE-OD1 3.15Å; R977-D1042 PolarHBondContact NE-OD1 2.88Å; R977-D1042 VanDerWaalsContact NE-OD1 3.17Å; R977-D1042 IonicContact NE-OD2 3.33Å; R977-D1042 PolarHBondContact NE-OD2 3.29Å; R977-D1042 IonicContact NH2-OD1 2.78Å; R977-D1042 PolarHBondContact NH2-OD1 3.36Å; R977-D1042 IonicContact NH2-OD2 3.89Å; R977-D1042 PolarHBondContact NH2-OD2 2.96Å
978I95.4Very high93.4Very high0 Ų022.9 Ų22.90%014%0.138CC..EExtended strand (participates in β ladder)trans-126.6129.7177.7-61163.3000106.3F933 L938 L945 I971 V980 F990 L999F933-I978 HydrophobicContact CD2-CG1 4.41Å; F933-I978 HydrophobicContact CE1-CD1 4.16Å; F933-I978 HydrophobicContact CE2-CD1 4.41Å; F933-I978 HydrophobicContact CE2-CG1 4.08Å; F933-I978 HydrophobicContact CZ-CD1 4.1Å; F933-I978 HydrophobicContact CZ-CG1 4.22Å; L938-I978 HydrophobicContact CD1-CB 4.33Å; L938-I978 HydrophobicContact CD1-CD1 3.57Å; L938-I978 HydrophobicContact CD1-CG1 3.66Å; L938-I978 HydrophobicContact CD1-CG2 3.72Å; L938-I978 HydrophobicContact CD2-CD1 3.9Å; L938-I978 HydrophobicContact CG-CD1 4.38Å; L945-I978 HydrophobicContact CD2-CG2 4.4Å; I971-I978 HydrophobicContact CG2-CG2 3.97Å; I978-V980 HydrophobicContact CG2-CG2 3.95Å; I978-F990 HydrophobicContact CB-CB 4.02Å; I978-F990 PolarHBondContact N-O 3.47Å; I978-F990 PolarHBondContact O-N 3.12Å; I978-L999 HydrophobicContact CD1-CD2 3.38Å
979Y95.8Very high93.4Very high0 Ų022.9 Ų22.90%014%0.138CC..EExtended strand (participates in β ladder)trans-112.3123.6-178.3-49.8-99.2000106.6I971 L972 M974 R977 F989 F1014 L1016 F1019 V1022I971-Y979 WeakPolarHBondContact CA-O 3.32Å; L972-Y979 PolarHBondContact N-O 2.87Å; L972-Y979 PolarHBondContact O-N 3.14Å; M974-Y979 HydrophobicContact CB-CE2 3.95Å; R977-Y979 HydrophobicContact CB-CE2 3.93Å; Y979-F989 AromaticContact CD1-CD1 3.44Å; Y979-F989 HydrophobicContact CD1-CD1 3.44Å; Y979-F989 VanDerWaalsContact CD1-CD1 3.44Å; Y979-F989 AromaticContact CD1-CE1 3.42Å; Y979-F989 HydrophobicContact CD1-CE1 3.42Å; Y979-F989 VanDerWaalsContact CD1-CE1 3.42Å; Y979-F989 HydrophobicContact CD1-CG 4.3Å; Y979-F989 HydrophobicContact CD1-CZ 4.2Å; Y979-F989 AromaticContact CE1-CD1 3.46Å; Y979-F989 HydrophobicContact CE1-CD1 3.46Å; Y979-F989 VanDerWaalsContact CE1-CD1 3.46Å; Y979-F989 AromaticContact CE1-CE1 3.38Å; Y979-F989 HydrophobicContact CE1-CE1 3.38Å; Y979-F989 HydrophobicContact CE1-CZ 4.47Å; Y979-F1014 WeakPolarHBondContact O-CZ 2.84Å; Y979-L1016 HydrophobicContact CD1-CD2 3.81Å; Y979-L1016 HydrophobicContact CD2-CD1 3.66Å; Y979-L1016 HydrophobicContact CD2-CD2 3.53Å; Y979-L1016 HydrophobicContact CD2-CG 4.25Å; Y979-L1016 HydrophobicContact CE1-CD2 4.08Å; Y979-L1016 HydrophobicContact CE2-CD1 3.7Å; Y979-L1016 HydrophobicContact CE2-CD2 3.86Å; Y979-L1016 HydrophobicContact CE2-CG 4.45Å; Y979-L1016 HydrophobicContact CG-CD1 4.49Å; Y979-L1016 HydrophobicContact CG-CD2 3.52Å; Y979-F1019 PolarHBondContact OH-O 3.22Å; Y979-V1022 HydrophobicContact CD1-CG2 3.8Å; Y979-V1022 HydrophobicContact CE1-CG2 4.14Å
980V95.9Very high93.5Very high0 Ų021.3 Ų21.30%013%0.128CC..EExtended strand (participates in β ladder)trans-121.6127.3-173.8-177.50000107.9L945 I964 V968 I978 V987 L988 F990L945-V980 HydrophobicContact CD1-CG2 4.39Å; L945-V980 HydrophobicContact CD2-CG2 3.86Å; I964-V980 HydrophobicContact CD1-CG1 3.94Å; V968-V980 HydrophobicContact CB-CG1 4.39Å; V968-V980 HydrophobicContact CG1-CG1 3.79Å; V968-V980 HydrophobicContact CG2-CG1 3.83Å; I978-V980 HydrophobicContact CG2-CG2 3.95Å; V980-V987 WeakPolarHBondContact O-CA 3.33Å; V980-L988 HydrophobicContact CB-CB 4.4Å; V980-L988 PolarHBondContact N-O 3.38Å; V980-L988 PolarHBondContact O-N 2.91Å; V980-F990 HydrophobicContact CB-CD2 4.13Å; V980-F990 HydrophobicContact CB-CE2 3.98Å; V980-F990 HydrophobicContact CG2-CD2 3.53Å; V980-F990 HydrophobicContact CG2-CE2 3.74Å
981C94.9Very high93.4Very high0 Ų022.6 Ų22.60%013%0.13CC..EExtended strand (participates in β ladder)trans-95.6124.2175.3-147.30000109.8V968 T969 N970 C1011 F1014V968-C981 CarbonylContact C-O 3.32Å; V968-C981 WeakPolarHBondContact CA-O 3.35Å; T969-C981 PolarHBondContact N-O 3.18Å; T969-C981 WeakPolarHBondContact OG1-CB 3.31Å; T969-C981 PolarHBondContact OG1-O 2.92Å; N970-C981 HydrophobicContact CB-CB 4.41Å; N970-C981 PolarHBondContact O-N 3.46Å; C981-C1011 WeakPolarHBondContact SG-CB 3.33Å; C981-F1014 HydrophobicContact CB-CD1 3.59Å; C981-F1014 HydrophobicContact CB-CE1 3.63Å
982D94.9Very high93.2Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-87.1152.6168.7-172.8-77.4000109.5I964 Y966 M967 Q984 E985 S986I964-D982 HydrophobicContact CG2-CB 4.49Å; I964-D982 WeakPolarHBondContact CG2-OD2 3.42Å; Y966-D982 PolarHBondContact N-OD2 3.38Å; M967-D982 PolarHBondContact N-OD2 3.15Å; M967-D982 CarbonylContact O-C 3.6Å; M967-D982 WeakPolarHBondContact O-CA 3.36Å; D982-Q984 PolarHBondContact O-N 3.4Å; D982-Q984 PolarHBondContact OD1-N 2.89Å; D982-E985 HydrophobicContact CB-CB 4.19Å; D982-E985 PolarHBondContact OD1-N 2.91Å; D982-S986 PolarHBondContact N-O 2.72Å
983V93.7Very high93Very high47 Ų4721.7 Ų21.729%0.28512%0.124SC..SBendtrans-64-22.4177.967.80000113.7M967 T969 Y1010M967-V983 HydrophobicContact CB-CB 4.33Å; M967-V983 HydrophobicContact CB-CG1 3.91Å; M967-V983 HydrophobicContact CE-CB 4.22Å; M967-V983 HydrophobicContact CE-CG2 4.09Å; M967-V983 PolarHBondContact O-N 3.03Å; T969-V983 HydrophobicContact CG2-CB 3.68Å; T969-V983 HydrophobicContact CG2-CG2 4.03Å; V983-Y1010 VanDerWaalsContact O-CA 3.25Å; V983-Y1010 WeakPolarHBondContact O-CA 3.46Å
984Q94Very high92.7Very high41 Ų4123.8 Ų23.819%0.19214%0.136CC..SBendtrans-136-35.1-176179.5176.3-27.200113.3Y966 D982 S986 Q1008 R1009 Y1010Y966-Q984 HydrophobicContact CD2-CB 3.89Å; Y966-Q984 HydrophobicContact CD2-CG 4.42Å; Y966-Q984 HydrophobicContact CE2-CB 4.16Å; Y966-Q984 HydrophobicContact CE2-CG 4.18Å; D982-Q984 PolarHBondContact O-N 3.4Å; D982-Q984 PolarHBondContact OD1-N 2.89Å; Q984-S986 PolarHBondContact O-N 3.48Å; Q984-Q1008 CarbonylContact O-C 3.51Å; Q984-Q1008 WeakPolarHBondContact O-CA 3.25Å; Q984-R1009 CarbonylContact C-O 3.59Å; Q984-R1009 WeakPolarHBondContact CA-O 3.36Å; Q984-R1009 CarbonylContact O-C 3.5Å; Q984-R1009 PolarHBondContact O-N 2.69Å; Q984-Y1010 HydrophobicContact CB-CD1 4.35Å; Q984-Y1010 HydrophobicContact CB-CE1 4.15Å; Q984-Y1010 HydrophobicContact CG-CD1 4.43Å; Q984-Y1010 HydrophobicContact CG-CE1 3.85Å; Q984-Y1010 HydrophobicContact CG-CE2 4.42Å
985E92.1Very high92.5Very high52 Ų5225.7 Ų25.724%0.24315%0.152CC..BIsolated β-bridgetrans-96.335.9-174.2-65.1-67.3157.800113.5P965 Y966 D982 Q1008P965-E985 HydrophobicContact CB-CG 3.98Å; P965-E985 HydrophobicContact CG-CB 4.12Å; P965-E985 HydrophobicContact CG-CG 3.96Å; Y966-E985 HydrophobicContact CD2-CG 3.89Å; Y966-E985 HydrophobicContact CE2-CG 3.69Å; D982-E985 HydrophobicContact CB-CB 4.19Å; D982-E985 PolarHBondContact OD1-N 2.91Å; E985-Q1008 PolarHBondContact OE1-NE2 3.11Å
986S93.8Very high92.4Very high0 Ų028.3 Ų28.30%015%0.149CC..  trans59.4-141.4172.9-166.10000113.9D982 Q984 D1005 F1007 R1009D982-S986 PolarHBondContact N-O 2.72Å; Q984-S986 PolarHBondContact O-N 3.48Å; S986-D1005 WeakPolarHBondContact CB-OD2 3.44Å; S986-D1005 WeakPolarHBondContact OG-CB 3.46Å; S986-D1005 PolarHBondContact OG-OD2 2.95Å; S986-F1007 WeakPolarHBondContact CB-O 3.37Å; S986-R1009 PolarHBondContact N-O 2.96Å; S986-R1009 WeakPolarHBondContact OG-CD 3.4Å
987V93.9Very high92.4Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-105133.9-177.4-178.50000111.2V980 F989 D1005 V1022 V1024V980-V987 WeakPolarHBondContact O-CA 3.33Å; V987-F989 HydrophobicContact CB-CE2 4.41Å; V987-F989 HydrophobicContact CG1-CD2 4.34Å; V987-F989 HydrophobicContact CG1-CE2 3.89Å; V987-F989 HydrophobicContact CG1-CZ 4.35Å; V987-D1005 PolarHBondContact O-N 3.33Å; V987-V1022 HydrophobicContact CG1-CG1 4.46Å; V987-V1022 HydrophobicContact CG2-CG1 4.3Å; V987-V1024 HydrophobicContact CG2-CG2 3.48Å; V987-V1024 VanDerWaalsContact CG2-CG2 3.48Å
988L94.1Very high92.3Very high7 Ų732.9 Ų32.94%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-113.3136178.4-58.5174.3000110.1I964 V980 F990 L1001 D1004I964-L988 HydrophobicContact CB-CD1 4.38Å; I964-L988 HydrophobicContact CG1-CD1 4.05Å; I964-L988 HydrophobicContact CG2-CD1 4.04Å; V980-L988 HydrophobicContact CB-CB 4.4Å; V980-L988 PolarHBondContact N-O 3.38Å; V980-L988 PolarHBondContact O-N 2.91Å; L988-F990 HydrophobicContact CB-CD2 4.28Å; L988-F990 HydrophobicContact CB-CE2 3.68Å; L988-F990 HydrophobicContact CD1-CE2 4.32Å; L988-L1001 HydrophobicContact CB-CD1 3.84Å; L988-L1001 HydrophobicContact CD2-CD1 4.21Å; L988-D1004 HydrophobicContact CD2-CB 3.6Å
989F94.4Very high92.1Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-108118.8-176.5-65.4-112.3000110.3Y979 V987 F1002 A1003 V1022 L1036 C1067Y979-F989 AromaticContact CD1-CD1 3.44Å; Y979-F989 HydrophobicContact CD1-CD1 3.44Å; Y979-F989 VanDerWaalsContact CD1-CD1 3.44Å; Y979-F989 AromaticContact CD1-CE1 3.42Å; Y979-F989 HydrophobicContact CD1-CE1 3.42Å; Y979-F989 VanDerWaalsContact CD1-CE1 3.42Å; Y979-F989 HydrophobicContact CD1-CG 4.3Å; Y979-F989 HydrophobicContact CD1-CZ 4.2Å; Y979-F989 AromaticContact CE1-CD1 3.46Å; Y979-F989 HydrophobicContact CE1-CD1 3.46Å; Y979-F989 VanDerWaalsContact CE1-CD1 3.46Å; Y979-F989 AromaticContact CE1-CE1 3.38Å; Y979-F989 HydrophobicContact CE1-CE1 3.38Å; Y979-F989 HydrophobicContact CE1-CZ 4.47Å; V987-F989 HydrophobicContact CB-CE2 4.41Å; V987-F989 HydrophobicContact CG1-CD2 4.34Å; V987-F989 HydrophobicContact CG1-CE2 3.89Å; V987-F989 HydrophobicContact CG1-CZ 4.35Å; F989-F1002 HydrophobicContact CB-CD1 4.31Å; F989-F1002 HydrophobicContact CB-CE1 3.72Å; F989-F1002 HydrophobicContact CB-CE2 4.05Å; F989-F1002 HydrophobicContact CB-CZ 3.58Å; F989-F1002 HydrophobicContact CD1-CZ 4.38Å; F989-F1002 HydrophobicContact CG-CZ 4.43Å; F989-F1002 WeakPolarHBondContact O-CD1 3.46Å; F989-F1002 PolarHBondContact O-N 3.31Å; F989-A1003 HydrophobicContact CB-CB 4.04Å; F989-A1003 HydrophobicContact CD2-CB 4.35Å; F989-A1003 HydrophobicContact CG-CB 4.33Å; F989-A1003 PolarHBondContact N-O 3.45Å; F989-V1022 HydrophobicContact CE1-CG2 3.97Å; F989-V1022 HydrophobicContact CZ-CG2 3.75Å; F989-L1036 HydrophobicContact CD1-CD1 3.61Å; F989-L1036 HydrophobicContact CD1-CD2 4.02Å; F989-L1036 HydrophobicContact CD1-CG 3.99Å; F989-L1036 HydrophobicContact CD2-CD2 4.33Å; F989-L1036 HydrophobicContact CE1-CD1 3.68Å; F989-L1036 HydrophobicContact CE1-CD2 3.97Å; F989-L1036 HydrophobicContact CE1-CG 3.68Å; F989-L1036 HydrophobicContact CE2-CD2 4.36Å; F989-L1036 HydrophobicContact CG-CD1 4.44Å; F989-L1036 HydrophobicContact CG-CD2 4.19Å; F989-L1036 HydrophobicContact CZ-CD2 4.17Å; F989-L1036 HydrophobicContact CZ-CG 4.16Å; F989-C1067 WeakPolarHBondContact CE2-SG 3.07Å
990F93.6Very high91.8Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-112.5143.2-179-72.9-95.2000111.6L945 N961 I964 R977 I978 V980 L988 L999 I1000 L1001L945-F990 HydrophobicContact CD2-CD1 4.42Å; L945-F990 HydrophobicContact CD2-CD2 4.38Å; L945-F990 HydrophobicContact CD2-CG 4.28Å; N961-F990 HydrophobicContact CB-CE1 4.45Å; I964-F990 HydrophobicContact CD1-CE2 4.42Å; I964-F990 HydrophobicContact CD1-CZ 4.2Å; I964-F990 HydrophobicContact CG1-CE2 4.28Å; I964-F990 HydrophobicContact CG1-CZ 3.83Å; R977-F990 CarbonylContact C-O 3.5Å; R977-F990 WeakPolarHBondContact CA-O 3.31Å; I978-F990 HydrophobicContact CB-CB 4.02Å; I978-F990 PolarHBondContact N-O 3.47Å; I978-F990 PolarHBondContact O-N 3.12Å; V980-F990 HydrophobicContact CB-CD2 4.13Å; V980-F990 HydrophobicContact CB-CE2 3.98Å; V980-F990 HydrophobicContact CG2-CD2 3.53Å; V980-F990 HydrophobicContact CG2-CE2 3.74Å; L988-F990 HydrophobicContact CB-CD2 4.28Å; L988-F990 HydrophobicContact CB-CE2 3.68Å; L988-F990 HydrophobicContact CD1-CE2 4.32Å; F990-L999 HydrophobicContact CD1-CB 4.36Å; F990-I1000 CarbonylContact C-O 3.53Å; F990-I1000 WeakPolarHBondContact CA-O 3.43Å; F990-L1001 HydrophobicContact CD1-CB 4.15Å; F990-L1001 HydrophobicContact CD2-CD1 4.34Å; F990-L1001 HydrophobicContact CE1-CB 3.75Å; F990-L1001 HydrophobicContact CE1-CD1 4.37Å; F990-L1001 HydrophobicContact CE2-CD1 3.98Å; F990-L1001 HydrophobicContact CZ-CB 4.12Å; F990-L1001 HydrophobicContact CZ-CD1 3.99Å
991R92.7Very high91.6Very high56 Ų5634.7 Ų34.721%0.21118%0.18CC..EExtended strand (participates in β ladder)trans-107.3134166.1-172.7-169.6-179.5135.4-18.1109.4I1000 F1002 D1042 D1043R991-I1000 PolarHBondContact N-O 2.74Å; R991-I1000 PolarHBondContact O-N 3.32Å; R991-F1002 HydrophobicContact CB-CD1 4.03Å; R991-F1002 HydrophobicContact CB-CE1 4.29Å; R991-D1042 VanDerWaalsContact CD-O 3.23Å; R991-D1042 WeakPolarHBondContact CD-O 3.35Å; R991-D1042 HydrophobicContact CG-CB 4.5Å; R991-D1043 IonicContact CZ-OD1 3.29Å; R991-D1043 IonicContact CZ-OD2 2.74Å; R991-D1043 IonicContact NE-OD1 3.26Å; R991-D1043 PolarHBondContact NE-OD1 2.88Å; R991-D1043 VanDerWaalsContact NE-OD1 3.11Å; R991-D1043 IonicContact NH1-OD1 2.72Å; R991-D1043 PolarHBondContact NH1-OD1 3Å; R991-D1043 IonicContact NH1-OD2 2.69Å; R991-D1043 PolarHBondContact NH1-OD2 3.27Å; R991-D1043 IonicContact NH2-OD1 3.95Å; R991-D1043 PolarHBondContact NH2-OD1 2.95Å; R991-D1043 IonicContact NH2-OD2 3.4Å; R991-D1043 PolarHBondContact NH2-OD2 3.46Å
992Y91.7Very high91.4Very high10 Ų1034.7 Ų34.74%0.03918%0.18CC..EExtended strand (participates in β ladder)trans-93.6113.6169.1178.5-118.3000111.4F933 R936 L947 S976 T994 N997 L999F933-Y992 AromaticContact CE1-CD1 3.48Å; F933-Y992 HydrophobicContact CE1-CD1 3.48Å; F933-Y992 VanDerWaalsContact CE1-CD1 3.48Å; F933-Y992 HydrophobicContact CE1-CE1 4.12Å; F933-Y992 AromaticContact CE1-CG 3.82Å; F933-Y992 HydrophobicContact CE1-CG 3.82Å; F933-Y992 AromaticContact CZ-CD1 3.93Å; F933-Y992 HydrophobicContact CZ-CD1 3.93Å; F933-Y992 HydrophobicContact CZ-CG 4.23Å; R936-Y992 PolarHBondContact NH1-OH 2.8Å; L947-Y992 HydrophobicContact CD2-CE1 4.36Å; L947-Y992 HydrophobicContact CD2-CE2 3.72Å; L947-Y992 WeakPolarHBondContact CD2-OH 3.48Å; S976-Y992 PolarHBondContact O-N 3.14Å; Y992-T994 HydrophobicContact CD1-CG2 3.98Å; Y992-T994 HydrophobicContact CE1-CG2 3.77Å; Y992-N997 PolarHBondContact OH-OD1 2.96Å; Y992-L999 HydrophobicContact CD2-CD2 3.87Å; Y992-L999 HydrophobicContact CD2-CG 4.31Å; Y992-L999 HydrophobicContact CG-CD2 4.37Å
993K90.1Very high91.2Very high24 Ų2434.7 Ų34.710%0.10418%0.18CC..EExtended strand (participates in β ladder)trans-85.1111.8170.7-72.9-172-177.2162.90109.7T995 E996 N997 Q998 I1000 V1044K993-T995 VanDerWaalsContact C-N 3.35Å; K993-T995 PolarHBondContact O-N 2.89Å; K993-E996 HydrophobicContact CB-CB 4.5Å; K993-E996 WeakPolarHBondContact CD-OE2 3.43Å; K993-N997 WeakPolarHBondContact O-CA 3.43Å; K993-N997 PolarHBondContact O-N 3.44Å; K993-Q998 PolarHBondContact N-O 2.79Å; K993-Q998 PolarHBondContact O-N 3.41Å; K993-I1000 HydrophobicContact CD-CD1 3.46Å; K993-I1000 VanDerWaalsContact CD-CD1 3.46Å; K993-I1000 HydrophobicContact CG-CD1 4Å; K993-V1044 PolarHBondContact NZ-O 2.76Å
994T86.8Confident91.2Very high82 Ų8233.1 Ų33.150%0.50317%0.169SC..THydrogen-bonded Turntrans-67.6-32.5-177.947.50000113.2Y992Y992-T994 HydrophobicContact CD1-CG2 3.98Å; Y992-T994 HydrophobicContact CE1-CG2 3.77Å
995T87.3Confident91.1Very high121 Ų12131.7 Ų31.774%0.74216%0.163SC*.THydrogen-bonded Turntrans-67.2-40.8-179.547.60000112.3K993K993-T995 VanDerWaalsContact C-N 3.35Å; K993-T995 PolarHBondContact O-N 2.89Å
996E85.9Confident91Very high110 Ų11032.6 Ų32.651%0.51417%0.172SC..THydrogen-bonded Turntrans-99.4-10.2-174.7-69.3162.2-172.500112.6K993 Q998K993-E996 HydrophobicContact CB-CB 4.5Å; K993-E996 WeakPolarHBondContact CD-OE2 3.43Å; E996-Q998 HydrophobicContact CB-CB 4.11Å; E996-Q998 PolarHBondContact O-N 2.8Å
997N87.9Confident90.8Very high69 Ų6938.2 Ų38.237%0.36920%0.197SC..THydrogen-bonded Turntrans49.545.4-166.7-69.1-51.7000111.8C959 Y992 K993C959-N997 VanDerWaalsContact CB-O 3.23Å; C959-N997 WeakPolarHBondContact CB-O 3.47Å; C959-N997 PolarHBondContact SG-O 2.73Å; Y992-N997 PolarHBondContact OH-OD1 2.96Å; K993-N997 WeakPolarHBondContact O-CA 3.43Å; K993-N997 PolarHBondContact O-N 3.44Å
998Q90.2Very high90.7Very high72 Ų7243.7 Ų43.734%0.33622%0.223SC..EExtended strand (participates in β ladder)trans-115.9140-179.1-168175.4-5.800110.9K993 E996 I1000 E1046K993-Q998 PolarHBondContact N-O 2.79Å; K993-Q998 PolarHBondContact O-N 3.41Å; E996-Q998 HydrophobicContact CB-CB 4.11Å; E996-Q998 PolarHBondContact O-N 2.8Å; Q998-I1000 HydrophobicContact CG-CG1 4.04Å; Q998-E1046 PolarHBondContact NE2-OE2 2.83Å
999L91.4Very high90.7Very high2 Ų244 Ų441%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-99.6117.6171.4-68.9163.3000107.8L938 L945 C959 N961 I978 F990 Y992L938-L999 HydrophobicContact CD2-CD2 4.49Å; L945-L999 HydrophobicContact CD2-CD1 3.86Å; L945-L999 HydrophobicContact CD2-CD2 4.43Å; L945-L999 HydrophobicContact CG-CD1 3.93Å; C959-L999 HydrophobicContact CB-CD1 4.43Å; N961-L999 HydrophobicContact CB-CB 4.01Å; N961-L999 HydrophobicContact CB-CD1 4.46Å; N961-L999 PolarHBondContact ND2-O 2.97Å; I978-L999 HydrophobicContact CD1-CD2 3.38Å; F990-L999 HydrophobicContact CD1-CB 4.36Å; Y992-L999 HydrophobicContact CD2-CD2 3.87Å; Y992-L999 HydrophobicContact CD2-CG 4.31Å; Y992-L999 HydrophobicContact CG-CD2 4.37Å
1000I89.8Confident90.7Very high2 Ų248.4 Ų48.41%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-113.6126.1-175.7-64.5168.7000108.9F990 R991 K993 Q998F990-I1000 CarbonylContact C-O 3.53Å; F990-I1000 WeakPolarHBondContact CA-O 3.43Å; R991-I1000 PolarHBondContact N-O 2.74Å; R991-I1000 PolarHBondContact O-N 3.32Å; K993-I1000 HydrophobicContact CD-CD1 3.46Å; K993-I1000 VanDerWaalsContact CD-CD1 3.46Å; K993-I1000 HydrophobicContact CG-CD1 4Å; Q998-I1000 HydrophobicContact CG-CG1 4.04Å
1001L90.6Very high90.7Very high34 Ų3448.6 Ų48.618%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-77.6119.8171.717665.7000108.1L988 F990 A1003 A1063L988-L1001 HydrophobicContact CB-CD1 3.84Å; L988-L1001 HydrophobicContact CD2-CD1 4.21Å; F990-L1001 HydrophobicContact CD1-CB 4.15Å; F990-L1001 HydrophobicContact CD2-CD1 4.34Å; F990-L1001 HydrophobicContact CE1-CB 3.75Å; F990-L1001 HydrophobicContact CE1-CD1 4.37Å; F990-L1001 HydrophobicContact CE2-CD1 3.98Å; F990-L1001 HydrophobicContact CZ-CB 4.12Å; F990-L1001 HydrophobicContact CZ-CD1 3.99Å; L1001-A1003 WeakPolarHBondContact CD1-O 3.25Å; L1001-A1063 HydrophobicContact CD2-CB 4.32Å; L1001-A1063 HydrophobicContact CG-CB 4.05Å
1002F90.8Very high90.8Very high0 Ų048.4 Ų48.40%025%0.247CC..EExtended strand (participates in β ladder)trans-116.9-23.6-17871.7-91000113.8R977 F989 R991 L1036 T1040 V1044 Q1065R977-F1002 HydrophobicContact CG-CE1 4.36Å; R977-F1002 HydrophobicContact CG-CZ 4.23Å; F989-F1002 HydrophobicContact CB-CD1 4.31Å; F989-F1002 HydrophobicContact CB-CE1 3.72Å; F989-F1002 HydrophobicContact CB-CE2 4.05Å; F989-F1002 HydrophobicContact CB-CZ 3.58Å; F989-F1002 HydrophobicContact CD1-CZ 4.38Å; F989-F1002 HydrophobicContact CG-CZ 4.43Å; F989-F1002 WeakPolarHBondContact O-CD1 3.46Å; F989-F1002 PolarHBondContact O-N 3.31Å; R991-F1002 HydrophobicContact CB-CD1 4.03Å; R991-F1002 HydrophobicContact CB-CE1 4.29Å; F1002-L1036 HydrophobicContact CE2-CD1 4.02Å; F1002-L1036 HydrophobicContact CZ-CD1 4.25Å; F1002-T1040 HydrophobicContact CD2-CG2 3.94Å; F1002-T1040 HydrophobicContact CE2-CG2 3.73Å; F1002-V1044 HydrophobicContact CB-CG2 3.84Å; F1002-Q1065 WeakPolarHBondContact O-CB 3.22Å; F1002-Q1065 PolarHBondContact O-NE2 3.01Å
1003A91.5Very high90.9Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-148.2155.7176.300000113F989 L1001 L1036 Q1065F989-A1003 HydrophobicContact CB-CB 4.04Å; F989-A1003 HydrophobicContact CD2-CB 4.35Å; F989-A1003 HydrophobicContact CG-CB 4.33Å; F989-A1003 PolarHBondContact N-O 3.45Å; L1001-A1003 WeakPolarHBondContact CD1-O 3.25Å; A1003-L1036 HydrophobicContact CB-CD2 3.58Å; A1003-Q1065 WeakPolarHBondContact CA-O 3.33Å; A1003-Q1065 HydrophobicContact CB-CB 4.08Å; A1003-Q1065 WeakPolarHBondContact CB-O 3.21Å
1004D92.6Very high91.1Very high13 Ų1347.5 Ų47.57%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-149.4170.9178.760.3-11000112L988 G1062 A1063 Q1065 K1066 C1067L988-D1004 HydrophobicContact CD2-CB 3.6Å; D1004-G1062 VanDerWaalsContact OD2-CA 3.22Å; D1004-G1062 WeakPolarHBondContact OD2-CA 3.39Å; D1004-A1063 HydrophobicContact CB-CB 4.18Å; D1004-A1063 WeakPolarHBondContact OD1-CB 3.23Å; D1004-A1063 PolarHBondContact OD1-N 2.89Å; D1004-A1063 PolarHBondContact OD2-N 2.96Å; D1004-Q1065 PolarHBondContact N-O 3.07Å; D1004-K1066 WeakPolarHBondContact O-CA 3.23Å; D1004-K1066 WeakPolarHBondContact OD1-CD 3.46Å; D1004-K1066 WeakPolarHBondContact OD1-CE 3.34Å; D1004-K1066 IonicContact OD1-NZ 3.58Å; D1004-K1066 PolarHBondContact OD1-NZ 2.8Å; D1004-K1066 IonicContact OD2-NZ 3.87Å; D1004-K1066 PolarHBondContact OD2-NZ 2.91Å; D1004-C1067 PolarHBondContact O-N 3.33Å; D1004-C1067 PolarHBondContact O-SG 3.29Å
1005D92.8Very high91.6Very high12 Ų1244.4 Ų44.46%0.06423%0.226CC..  trans-79.9162.4173.9-163.2-1.4000111.1S986 V987 F1007 R1009 L1034S986-D1005 WeakPolarHBondContact CB-OD2 3.44Å; S986-D1005 WeakPolarHBondContact OG-CB 3.46Å; S986-D1005 PolarHBondContact OG-OD2 2.95Å; V987-D1005 PolarHBondContact O-N 3.33Å; D1005-F1007 PolarHBondContact OD1-N 2.77Å; D1005-R1009 IonicContact OD2-NE 2.72Å; D1005-R1009 PolarHBondContact OD2-NE 2.82Å; D1005-L1034 HydrophobicContact CB-CD1 4.13Å; D1005-L1034 WeakPolarHBondContact OD2-CD1 3.48Å
1006T90Very high92Very high70 Ų7040.1 Ų40.143%0.42920%0.198SC..SBendtrans-92.7-21.2173.952.60000113K1066T1006-K1066 HydrophobicContact CG2-CB 3.83Å; T1006-K1066 HydrophobicContact CG2-CD 4.06Å; T1006-K1066 HydrophobicContact CG2-CG 3.92Å
1007F89.8Confident92.4Very high118 Ų11835.9 Ų35.952%0.51818%0.179SC..SBendtrans-107.1143-178.4-69-88000111.9S986 D1005S986-F1007 WeakPolarHBondContact CB-O 3.37Å; D1005-F1007 PolarHBondContact OD1-N 2.77Å
1008Q91.6Very high92.6Very high115 Ų11535.4 Ų35.454%0.53718%0.176SC..  trans-72.3128167.8-68.5179.1-11.700109.7Q984 E985Q984-Q1008 CarbonylContact O-C 3.51Å; Q984-Q1008 WeakPolarHBondContact O-CA 3.25Å; E985-Q1008 PolarHBondContact OE1-NE2 3.11Å
1009R93.5Very high92.8Very high15 Ų1535 Ų356%0.05717%0.174CC..BIsolated β-bridgetrans-135.7127.2179.4-58.9-172.8-175.8-73.8-3.7109.1Q984 S986 D1005 C1011Q984-R1009 CarbonylContact C-O 3.59Å; Q984-R1009 WeakPolarHBondContact CA-O 3.36Å; Q984-R1009 CarbonylContact O-C 3.5Å; Q984-R1009 PolarHBondContact O-N 2.69Å; S986-R1009 PolarHBondContact N-O 2.96Å; S986-R1009 WeakPolarHBondContact OG-CD 3.4Å; D1005-R1009 IonicContact OD2-NE 2.72Å; D1005-R1009 PolarHBondContact OD2-NE 2.82Å; R1009-C1011 VanDerWaalsContact CB-SG 3.58Å; R1009-C1011 PolarHBondContact O-N 2.96Å; R1009-C1011 PolarHBondContact O-SG 2.94Å; R1009-C1011 VanDerWaalsContact O-SG 3.38Å
1010Y95Very high92.9Very high91 Ų9137.8 Ų37.836%0.35719%0.189SC..  trans-84.370.4-180-70.3-97000110.1V983 Q984 D1026 K1027 F1028V983-Y1010 VanDerWaalsContact O-CA 3.25Å; V983-Y1010 WeakPolarHBondContact O-CA 3.46Å; Q984-Y1010 HydrophobicContact CB-CD1 4.35Å; Q984-Y1010 HydrophobicContact CB-CE1 4.15Å; Q984-Y1010 HydrophobicContact CG-CD1 4.43Å; Q984-Y1010 HydrophobicContact CG-CE1 3.85Å; Q984-Y1010 HydrophobicContact CG-CE2 4.42Å; Y1010-D1026 WeakPolarHBondContact O-CA 3.43Å; Y1010-D1026 WeakPolarHBondContact O-CB 3.48Å; Y1010-K1027 PolarHBondContact O-N 2.92Å; Y1010-F1028 HydrophobicContact CD2-CD2 4.12Å; Y1010-F1028 AromaticContact CD2-CE2 3.49Å; Y1010-F1028 HydrophobicContact CD2-CE2 3.49Å; Y1010-F1028 VanDerWaalsContact CD2-CE2 3.49Å; Y1010-F1028 AromaticContact CE2-CE2 3.99Å; Y1010-F1028 HydrophobicContact CE2-CE2 3.99Å; Y1010-F1028 HydrophobicContact CG-CD2 4.47Å; Y1010-F1028 AromaticContact CG-CE2 3.85Å; Y1010-F1028 HydrophobicContact CG-CE2 3.85Å
1011C93.7Very high93.2Very high5 Ų537.8 Ų37.83%0.03419%0.189CC..EExtended strand (participates in β ladder)trans-70133-164.6-61.30000112.8C981 R1009 V1024 G1025C981-C1011 WeakPolarHBondContact SG-CB 3.33Å; R1009-C1011 VanDerWaalsContact CB-SG 3.58Å; R1009-C1011 PolarHBondContact O-N 2.96Å; R1009-C1011 PolarHBondContact O-SG 2.94Å; R1009-C1011 VanDerWaalsContact O-SG 3.38Å; C1011-V1024 HydrophobicContact CB-CG1 4.19Å; C1011-V1024 WeakPolarHBondContact SG-CG1 3.34Å; C1011-G1025 WeakPolarHBondContact CA-O 3.28Å
1012T93.5Very high93.5Very high52 Ų5236.2 Ų36.232%0.31918%0.18SC..EExtended strand (participates in β ladder)trans-101.6-44.2175.547.30000110.9G1025 K1027 I1079T1012-G1025 PolarHBondContact N-O 2.92Å; T1012-G1025 PolarHBondContact OG1-O 3.23Å; T1012-G1025 VanDerWaalsContact OG1-O 3.12Å; T1012-K1027 HydrophobicContact CG2-CB 4Å; T1012-I1079 VanDerWaalsContact CB-O 3.31Å; T1012-I1079 WeakPolarHBondContact CB-O 3.42Å; T1012-I1079 PolarHBondContact OG1-O 3.35Å
1013C93.7Very high93.8Very high9 Ų936.2 Ų36.26%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-147.3160.6-179.163.40000110.8G1025 T1080C1013-G1025 PolarHBondContact N-O 3.12Å; C1013-G1025 PolarHBondContact O-N 2.84Å; C1013-T1080 WeakPolarHBondContact CB-O 3.45Å
1014F95.7Very high94Very high6 Ų636.3 Ų36.33%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-153156.5173.577.1-82.5000110.4N970 L972 Y979 C981 L1016 V1022 A1023 V1024N970-F1014 HydrophobicContact CB-CD1 3.99Å; N970-F1014 HydrophobicContact CB-CE1 3.65Å; L972-F1014 HydrophobicContact CB-CE2 3.76Å; L972-F1014 HydrophobicContact CB-CZ 3.71Å; L972-F1014 HydrophobicContact CD1-CD2 3.9Å; L972-F1014 HydrophobicContact CD1-CE1 4.48Å; L972-F1014 HydrophobicContact CD1-CE2 3.54Å; L972-F1014 HydrophobicContact CD1-CZ 3.87Å; L972-F1014 HydrophobicContact CG-CE1 4.24Å; L972-F1014 HydrophobicContact CG-CE2 3.73Å; L972-F1014 HydrophobicContact CG-CZ 3.57Å; Y979-F1014 WeakPolarHBondContact O-CZ 2.84Å; C981-F1014 HydrophobicContact CB-CD1 3.59Å; C981-F1014 HydrophobicContact CB-CE1 3.63Å; F1014-L1016 HydrophobicContact CE2-CD2 4.14Å; F1014-V1022 HydrophobicContact CB-CG1 4.19Å; F1014-V1022 HydrophobicContact CD2-CG1 3.56Å; F1014-V1022 HydrophobicContact CE2-CG1 4.37Å; F1014-V1022 HydrophobicContact CG-CG1 4.31Å; F1014-A1023 CarbonylContact C-O 3.51Å; F1014-A1023 WeakPolarHBondContact CA-O 3.22Å; F1014-A1023 VanDerWaalsContact CB-O 3.26Å; F1014-A1023 WeakPolarHBondContact CB-O 3.31Å; F1014-V1024 HydrophobicContact CB-CG2 4.29Å
1015C95.4Very high94.2Very high16 Ų1635.7 Ų35.711%0.10818%0.178CC..EExtended strand (participates in β ladder)trans-133.3140.1179.2-178.10000110.1A1023 L1082C1015-A1023 PolarHBondContact N-O 3.32Å; C1015-A1023 PolarHBondContact O-N 3.39Å; C1015-L1082 HydrophobicContact CB-CB 3.81Å
1016L95.9Very high94.3Very high31 Ų3135.5 Ų35.516%0.16218%0.177CC..EExtended strand (participates in β ladder)trans-81124.7171-56.3-179.9000108.9L972 M974 Y979 F1014 V1022L972-L1016 HydrophobicContact CB-CD1 3.89Å; L972-L1016 HydrophobicContact CB-CG 4.11Å; L972-L1016 HydrophobicContact CD1-CG 4Å; M974-L1016 HydrophobicContact CB-CD1 4.02Å; Y979-L1016 HydrophobicContact CD1-CD2 3.81Å; Y979-L1016 HydrophobicContact CD2-CD1 3.66Å; Y979-L1016 HydrophobicContact CD2-CD2 3.53Å; Y979-L1016 HydrophobicContact CD2-CG 4.25Å; Y979-L1016 HydrophobicContact CE1-CD2 4.08Å; Y979-L1016 HydrophobicContact CE2-CD1 3.7Å; Y979-L1016 HydrophobicContact CE2-CD2 3.86Å; Y979-L1016 HydrophobicContact CE2-CG 4.45Å; Y979-L1016 HydrophobicContact CG-CD1 4.49Å; Y979-L1016 HydrophobicContact CG-CD2 3.52Å; F1014-L1016 HydrophobicContact CE2-CD2 4.14Å; L1016-V1022 HydrophobicContact CD2-CG1 4.45Å; L1016-V1022 HydrophobicContact CD2-CG2 3.83Å
1017L94.6Very high94.5Very high22 Ų2238.7 Ų38.712%0.11519%0.185CC..SBendtrans-92.4-42.8176.7-60179.3000110.7M1 T1021 A1023 I1033 K1084 L1095M1-L1017 HydrophobicContact CE-CD1 4.09Å; L1017-T1021 WeakPolarHBondContact CB-OG1 3.28Å; L1017-T1021 PolarHBondContact N-O 3.44Å; L1017-A1023 HydrophobicContact CD1-CB 4.15Å; L1017-A1023 HydrophobicContact CD2-CB 4.25Å; L1017-A1023 HydrophobicContact CG-CB 4.14Å; L1017-I1033 HydrophobicContact CD1-CD1 4.04Å; L1017-I1033 HydrophobicContact CD1-CG1 4.43Å; L1017-I1033 HydrophobicContact CD1-CG2 3.96Å; L1017-K1084 HydrophobicContact CD2-CB 4.26Å; L1017-K1084 HydrophobicContact CD2-CD 4.31Å; L1017-K1084 HydrophobicContact CD2-CG 4.49Å; L1017-K1084 PolarHBondContact O-NZ 3.15Å; L1017-L1095 HydrophobicContact CD2-CD1 4.04Å; L1017-L1095 HydrophobicContact CD2-CD2 4.4Å
1018D93.4Very high94.8Very high58 Ų5837.1 Ų37.131%0.3118%0.178SC..SBendtrans-146.7-166.2170.465.128.8000109.8D1020 T1021 R1035D1018-D1020 VanDerWaalsContact C-N 3.3Å; D1018-D1020 PolarHBondContact O-N 3.37Å; D1018-D1020 PolarHBondContact OD1-N 3.38Å; D1018-T1021 PolarHBondContact N-OG1 2.73Å; D1018-T1021 WeakPolarHBondContact OD1-CA 3.33Å; D1018-T1021 VanDerWaalsContact OD1-CB 3.3Å; D1018-T1021 WeakPolarHBondContact OD1-CB 3.42Å; D1018-T1021 WeakPolarHBondContact OD1-CG2 3.32Å; D1018-T1021 PolarHBondContact OD1-N 3.45Å; D1018-T1021 PolarHBondContact OD1-OG1 3.02Å; D1018-T1021 PolarHBondContact OD2-OG1 3.43Å; D1018-T1021 VanDerWaalsContact OD2-OG1 3.1Å; D1018-R1035 IonicContact OD2-NH2 2.61Å; D1018-R1035 PolarHBondContact OD2-NH2 2.87Å
1019F93.3Very high95Very high65 Ų6531.6 Ų31.629%0.28515%0.152SC..SBendtrans-69.9-22.9-178.1-172-111000114.1M974 R977 Y979M974-F1019 HydrophobicContact CB-CD2 4.45Å; M974-F1019 HydrophobicContact CE-CB 4.38Å; M974-F1019 HydrophobicContact CG-CD2 4.13Å; M974-F1019 HydrophobicContact SD-CB 4.15Å; M974-F1019 HydrophobicContact SD-CD2 4.12Å; R977-F1019 HydrophobicContact CB-CE2 4.27Å; R977-F1019 VanDerWaalsContact CD-CZ 3.4Å; R977-F1019 HydrophobicContact CG-CE2 3.99Å; R977-F1019 HydrophobicContact CG-CZ 3.74Å; R977-F1019 VanDerWaalsContact NE-CE1 3.32Å; R977-F1019 PolarHBondContact NH1-O 3.05Å; Y979-F1019 PolarHBondContact OH-O 3.22Å
1020D94.3Very high95.1Very high60 Ų6031.2 Ų31.232%0.32115%0.151SC..SBendtrans-113-12.9-175.1-64.8-49.3000112.8R977 D1018 R1035 L1036R977-D1020 IonicContact CZ-OD1 3.78Å; R977-D1020 IonicContact NH1-OD1 2.66Å; R977-D1020 PolarHBondContact NH1-OD1 2.88Å; R977-D1020 IonicContact NH2-OD1 3.52Å; D1018-D1020 VanDerWaalsContact C-N 3.3Å; D1018-D1020 PolarHBondContact O-N 3.37Å; D1018-D1020 PolarHBondContact OD1-N 3.38Å; D1020-R1035 CarbonylContact O-C 3.57Å; D1020-R1035 WeakPolarHBondContact O-CA 3.38Å; D1020-L1036 HydrophobicContact CB-CB 4.29Å; D1020-L1036 PolarHBondContact O-N 3.15Å
1021T95.4Very high95.2Very high2 Ų227 Ų271%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-120.5136.5-172.559.10000114.4L1017 D1018 L1034 R1035L1017-T1021 WeakPolarHBondContact CB-OG1 3.28Å; L1017-T1021 PolarHBondContact N-O 3.44Å; D1018-T1021 PolarHBondContact N-OG1 2.73Å; D1018-T1021 WeakPolarHBondContact OD1-CA 3.33Å; D1018-T1021 VanDerWaalsContact OD1-CB 3.3Å; D1018-T1021 WeakPolarHBondContact OD1-CB 3.42Å; D1018-T1021 WeakPolarHBondContact OD1-CG2 3.32Å; D1018-T1021 PolarHBondContact OD1-N 3.45Å; D1018-T1021 PolarHBondContact OD1-OG1 3.02Å; D1018-T1021 PolarHBondContact OD2-OG1 3.43Å; D1018-T1021 VanDerWaalsContact OD2-OG1 3.1Å; T1021-L1034 CarbonylContact C-O 3.41Å; T1021-L1034 VanDerWaalsContact CA-O 3.23Å; T1021-L1034 WeakPolarHBondContact CA-O 3.32Å; T1021-R1035 HydrophobicContact CG2-CB 3.73Å; T1021-R1035 HydrophobicContact CG2-CG 3.72Å
1022V96.6Very high95.3Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-129.9128.1-177.6-173.70000109.3Y979 V987 F989 F1014 L1016 V1024 I1033 L1034Y979-V1022 HydrophobicContact CD1-CG2 3.8Å; Y979-V1022 HydrophobicContact CE1-CG2 4.14Å; V987-V1022 HydrophobicContact CG1-CG1 4.46Å; V987-V1022 HydrophobicContact CG2-CG1 4.3Å; F989-V1022 HydrophobicContact CE1-CG2 3.97Å; F989-V1022 HydrophobicContact CZ-CG2 3.75Å; F1014-V1022 HydrophobicContact CB-CG1 4.19Å; F1014-V1022 HydrophobicContact CD2-CG1 3.56Å; F1014-V1022 HydrophobicContact CE2-CG1 4.37Å; F1014-V1022 HydrophobicContact CG-CG1 4.31Å; L1016-V1022 HydrophobicContact CD2-CG1 4.45Å; L1016-V1022 HydrophobicContact CD2-CG2 3.83Å; V1022-V1024 HydrophobicContact CG1-CG2 4Å; V1022-I1033 WeakPolarHBondContact O-CA 3.46Å; V1022-L1034 PolarHBondContact N-O 2.74Å; V1022-L1034 PolarHBondContact O-N 2.9Å
1023A97Very high95.5Very high0 Ų024.4 Ų24.40%012%0.119CC..EExtended strand (participates in β ladder)trans-92.1134167.600000109.5F1014 C1015 L1017 A1032 I1033 L1082 L1095F1014-A1023 CarbonylContact C-O 3.51Å; F1014-A1023 WeakPolarHBondContact CA-O 3.22Å; F1014-A1023 VanDerWaalsContact CB-O 3.26Å; F1014-A1023 WeakPolarHBondContact CB-O 3.31Å; C1015-A1023 PolarHBondContact N-O 3.32Å; C1015-A1023 PolarHBondContact O-N 3.39Å; L1017-A1023 HydrophobicContact CD1-CB 4.15Å; L1017-A1023 HydrophobicContact CD2-CB 4.25Å; L1017-A1023 HydrophobicContact CG-CB 4.14Å; A1023-A1032 CarbonylContact C-O 3.52Å; A1023-A1032 WeakPolarHBondContact CA-O 3.17Å; A1023-I1033 HydrophobicContact CB-CG1 4.24Å; A1023-L1082 HydrophobicContact CB-CD1 4.45Å; A1023-L1095 HydrophobicContact CB-CD1 4.34Å; A1023-L1095 HydrophobicContact CB-CD2 3.64Å
1024V96.6Very high95.6Very high2 Ų224 Ų241%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-128.1130.1-173.2-178.40000109.2V987 C1011 F1014 V1022 L1031 A1032 L1034V987-V1024 HydrophobicContact CG2-CG2 3.48Å; V987-V1024 VanDerWaalsContact CG2-CG2 3.48Å; C1011-V1024 HydrophobicContact CB-CG1 4.19Å; C1011-V1024 WeakPolarHBondContact SG-CG1 3.34Å; F1014-V1024 HydrophobicContact CB-CG2 4.29Å; V1022-V1024 HydrophobicContact CG1-CG2 4Å; V1024-L1031 WeakPolarHBondContact O-CA 3.4Å; V1024-A1032 PolarHBondContact N-O 3.4Å; V1024-A1032 PolarHBondContact O-N 3.12Å; V1024-L1034 HydrophobicContact CG2-CD1 4.12Å
1025G96Very high95.6Very high0 Ų027.9 Ų27.90%013%0.13CC..EExtended strand (participates in β ladder)trans-108.6141.3170.200000110C1011 T1012 C1013 N1030 L1082C1011-G1025 WeakPolarHBondContact CA-O 3.28Å; T1012-G1025 PolarHBondContact N-O 2.92Å; T1012-G1025 PolarHBondContact OG1-O 3.23Å; T1012-G1025 VanDerWaalsContact OG1-O 3.12Å; C1013-G1025 PolarHBondContact N-O 3.12Å; C1013-G1025 PolarHBondContact O-N 2.84Å; G1025-N1030 WeakPolarHBondContact CA-O 3.47Å; G1025-L1082 VanDerWaalsContact N-CD1 3.31Å
1026D94.5Very high95.5Very high8 Ų827.3 Ų27.34%0.04313%0.126CC..EExtended strand (participates in β ladder)trans-119.7167.9179.780.414.2000113.9Y1010 F1028 G1029 N1030Y1010-D1026 WeakPolarHBondContact O-CA 3.43Å; Y1010-D1026 WeakPolarHBondContact O-CB 3.48Å; D1026-F1028 PolarHBondContact O-N 3.3Å; D1026-F1028 WeakPolarHBondContact OD1-CA 3.43Å; D1026-F1028 PolarHBondContact OD1-N 2.84Å; D1026-G1029 PolarHBondContact O-N 3.48Å; D1026-G1029 PolarHBondContact OD1-N 2.86Å; D1026-N1030 PolarHBondContact N-O 3.43Å; D1026-N1030 VanDerWaalsContact N-O 3.1Å; D1026-N1030 PolarHBondContact OD1-N 2.68Å; D1026-N1030 PolarHBondContact OD1-ND2 3.07Å; D1026-N1030 WeakPolarHBondContact OD2-CB 3.3Å; D1026-N1030 PolarHBondContact OD2-ND2 2.97Å
1027K95.6Very high95.4Very high138 Ų13827.7 Ų27.760%0.613%0.131SC*.THydrogen-bonded Turntrans-61.6-27.1179179.6179.5174.5-176.50113.2Y1010 T1012 G1029 C1078Y1010-K1027 PolarHBondContact O-N 2.92Å; T1012-K1027 HydrophobicContact CG2-CB 4Å; K1027-G1029 VanDerWaalsContact C-N 3.34Å; K1027-C1078 WeakPolarHBondContact O-CB 3.49Å
1028F95.7Very high95.1Very high84 Ų8432.3 Ų32.337%0.36817%0.172SC..THydrogen-bonded Turntrans-87.4-6.8-177.2-67.4-72000112.6Y1010 D1026 F1074 Y1145Y1010-F1028 HydrophobicContact CD2-CD2 4.12Å; Y1010-F1028 AromaticContact CD2-CE2 3.49Å; Y1010-F1028 HydrophobicContact CD2-CE2 3.49Å; Y1010-F1028 VanDerWaalsContact CD2-CE2 3.49Å; Y1010-F1028 AromaticContact CE2-CE2 3.99Å; Y1010-F1028 HydrophobicContact CE2-CE2 3.99Å; Y1010-F1028 HydrophobicContact CG-CD2 4.47Å; Y1010-F1028 AromaticContact CG-CE2 3.85Å; Y1010-F1028 HydrophobicContact CG-CE2 3.85Å; D1026-F1028 PolarHBondContact O-N 3.3Å; D1026-F1028 WeakPolarHBondContact OD1-CA 3.43Å; D1026-F1028 PolarHBondContact OD1-N 2.84Å; F1028-F1074 VanDerWaalsContact O-CE2 3.3Å; F1028-F1074 WeakPolarHBondContact O-CE2 3.13Å; F1028-Y1145 HydrophobicContact CB-CD2 4.24Å; F1028-Y1145 HydrophobicContact CB-CE2 3.63Å; F1028-Y1145 HydrophobicContact CD1-CE1 4.43Å; F1028-Y1145 AromaticContact CD1-CZ 3.9Å; F1028-Y1145 WeakPolarHBondContact CD1-OH 3.36Å; F1028-Y1145 HydrophobicContact CG-CE1 4.45Å; F1028-Y1145 HydrophobicContact CG-CE2 4.34Å; F1028-Y1145 AromaticContact CG-CZ 4Å
1029G94.6Very high94.7Very high0 Ų032.8 Ų32.80%019%0.191CC..SBendtrans90.627178.400000114.7D1026 K1027 F1074 V1075 G1076 E1077D1026-G1029 PolarHBondContact O-N 3.48Å; D1026-G1029 PolarHBondContact OD1-N 2.86Å; K1027-G1029 VanDerWaalsContact C-N 3.34Å; G1029-F1074 WeakPolarHBondContact O-CD2 3.2Å; G1029-V1075 PolarHBondContact O-N 3.34Å; G1029-G1076 PolarHBondContact O-N 3.49Å; G1029-E1077 WeakPolarHBondContact CA-O 3.47Å
1030N96.2Very high94.4Very high6 Ų630.8 Ų30.83%0.03218%0.184CC..EExtended strand (participates in β ladder)trans-92141.8169.4-52.2-65.3000110.8G1025 D1026 F1072 F1074 Y1145G1025-N1030 WeakPolarHBondContact CA-O 3.47Å; D1026-N1030 PolarHBondContact N-O 3.43Å; D1026-N1030 VanDerWaalsContact N-O 3.1Å; D1026-N1030 PolarHBondContact OD1-N 2.68Å; D1026-N1030 PolarHBondContact OD1-ND2 3.07Å; D1026-N1030 WeakPolarHBondContact OD2-CB 3.3Å; D1026-N1030 PolarHBondContact OD2-ND2 2.97Å; N1030-F1072 HydrophobicContact CB-CE2 3.87Å; N1030-F1072 HydrophobicContact CB-CZ 3.92Å; N1030-F1072 VanDerWaalsContact OD1-CZ 3.31Å; N1030-F1072 WeakPolarHBondContact OD1-CZ 3.43Å; N1030-F1074 VanDerWaalsContact OD1-CD2 3.29Å; N1030-F1074 WeakPolarHBondContact OD1-CD2 3.39Å; N1030-Y1145 WeakPolarHBondContact ND2-CD2 3.47Å; N1030-Y1145 VanDerWaalsContact OD1-CD2 3.31Å; N1030-Y1145 WeakPolarHBondContact OD1-CD2 3.41Å
1031L96.6Very high94Very high3 Ų332.1 Ų32.12%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-113.1122.1166.8-167.5155.9000108.5V1024 I1033 F1072 F1073 I1079 L1082 L1095 Y1097 L1107V1024-L1031 WeakPolarHBondContact O-CA 3.4Å; L1031-I1033 HydrophobicContact CD2-CG1 4.19Å; L1031-F1072 WeakPolarHBondContact O-CA 3.43Å; L1031-F1073 PolarHBondContact N-O 3.11Å; L1031-F1073 PolarHBondContact O-N 2.96Å; L1031-I1079 HydrophobicContact CB-CD1 3.79Å; L1031-I1079 HydrophobicContact CD1-CD1 4.19Å; L1031-I1079 HydrophobicContact CG-CD1 4.3Å; L1031-L1082 HydrophobicContact CD1-CD2 3.95Å; L1031-L1095 HydrophobicContact CD2-CD2 4.41Å; L1031-Y1097 HydrophobicContact CD1-CD1 4.04Å; L1031-Y1097 HydrophobicContact CD1-CG 4.4Å; L1031-L1107 HydrophobicContact CD1-CD1 3.45Å; L1031-L1107 VanDerWaalsContact CD1-CD1 3.45Å; L1031-L1107 HydrophobicContact CD2-CD1 3.47Å; L1031-L1107 VanDerWaalsContact CD2-CD1 3.47Å; L1031-L1107 HydrophobicContact CG-CD1 4.09Å
1032A96.5Very high93.4Very high2 Ų232.9 Ų32.92%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-124.4142.7178.100000110.9A1023 V1024 L1069 A1071 F1072A1023-A1032 CarbonylContact C-O 3.52Å; A1023-A1032 WeakPolarHBondContact CA-O 3.17Å; V1024-A1032 PolarHBondContact N-O 3.4Å; V1024-A1032 PolarHBondContact O-N 3.12Å; A1032-L1069 HydrophobicContact CB-CD1 3.98Å; A1032-A1071 WeakPolarHBondContact CA-O 3.37Å; A1032-F1072 HydrophobicContact CB-CD2 4.24Å
1033I96.8Very high92.4Very high0 Ų036.7 Ų36.70%022%0.218CC..EExtended strand (participates in β ladder)trans-114.9118.6171.3-59.1179.6000108.6M1 L3 L1017 V1022 A1023 L1031 I1070 A1071M1-I1033 HydrophobicContact CE-CD1 3.94Å; L3-I1033 HydrophobicContact CD1-CD1 3.44Å; L3-I1033 VanDerWaalsContact CD1-CD1 3.44Å; L1017-I1033 HydrophobicContact CD1-CD1 4.04Å; L1017-I1033 HydrophobicContact CD1-CG1 4.43Å; L1017-I1033 HydrophobicContact CD1-CG2 3.96Å; V1022-I1033 WeakPolarHBondContact O-CA 3.46Å; A1023-I1033 HydrophobicContact CB-CG1 4.24Å; L1031-I1033 HydrophobicContact CD2-CG1 4.19Å; I1033-I1070 HydrophobicContact CG2-CB 4.35Å; I1033-I1070 PolarHBondContact O-N 3.07Å; I1033-A1071 HydrophobicContact CB-CB 4.1Å; I1033-A1071 HydrophobicContact CD1-CB 4.1Å; I1033-A1071 HydrophobicContact CG1-CB 4.22Å; I1033-A1071 PolarHBondContact N-O 2.93Å; I1033-A1071 PolarHBondContact O-N 3.05Å
1034L96Very high91.3Very high0 Ų038.1 Ų38.10%023%0.227CC..EExtended strand (participates in β ladder)trans-104.8140.9-179.7-55176.2000109.2D1005 T1021 V1022 V1024 C1067 E1068 L1069D1005-L1034 HydrophobicContact CB-CD1 4.13Å; D1005-L1034 WeakPolarHBondContact OD2-CD1 3.48Å; T1021-L1034 CarbonylContact C-O 3.41Å; T1021-L1034 VanDerWaalsContact CA-O 3.23Å; T1021-L1034 WeakPolarHBondContact CA-O 3.32Å; V1022-L1034 PolarHBondContact N-O 2.74Å; V1022-L1034 PolarHBondContact O-N 2.9Å; V1024-L1034 HydrophobicContact CG2-CD1 4.12Å; L1034-C1067 HydrophobicContact CB-CB 4.3Å; L1034-E1068 CarbonylContact C-O 3.31Å; L1034-E1068 WeakPolarHBondContact CA-O 3.47Å; L1034-L1069 HydrophobicContact CD2-CD1 3.92Å
1035R95.8Very high89.6Confident88 Ų8844.7 Ų44.733%0.33226%0.257SS..EExtended strand (participates in β ladder)trans-129.8137.4176.1176.8165.7-85.4178.5-2.6110.4D1018 D1020 T1021 E1068 I1070D1018-R1035 IonicContact OD2-NH2 2.61Å; D1018-R1035 PolarHBondContact OD2-NH2 2.87Å; D1020-R1035 CarbonylContact O-C 3.57Å; D1020-R1035 WeakPolarHBondContact O-CA 3.38Å; T1021-R1035 HydrophobicContact CG2-CB 3.73Å; T1021-R1035 HydrophobicContact CG2-CG 3.72Å; R1035-E1068 PolarHBondContact N-O 3.32Å; R1035-E1068 PolarHBondContact O-N 3.09Å; R1035-I1070 HydrophobicContact CB-CD1 3.91Å; R1035-I1070 HydrophobicContact CB-CG1 3.45Å; R1035-I1070 VanDerWaalsContact CB-CG1 3.45Å; R1035-I1070 HydrophobicContact CG-CG1 4.48Å
1036L94.5Very high87.8Confident5 Ų549.2 Ų49.23%0.02628%0.279CS..  trans-70.8136167.4-68.7175.5000110.6F989 F1002 A1003 D1020 T1040F989-L1036 HydrophobicContact CD1-CD1 3.61Å; F989-L1036 HydrophobicContact CD1-CD2 4.02Å; F989-L1036 HydrophobicContact CD1-CG 3.99Å; F989-L1036 HydrophobicContact CD2-CD2 4.33Å; F989-L1036 HydrophobicContact CE1-CD1 3.68Å; F989-L1036 HydrophobicContact CE1-CD2 3.97Å; F989-L1036 HydrophobicContact CE1-CG 3.68Å; F989-L1036 HydrophobicContact CE2-CD2 4.36Å; F989-L1036 HydrophobicContact CG-CD1 4.44Å; F989-L1036 HydrophobicContact CG-CD2 4.19Å; F989-L1036 HydrophobicContact CZ-CD2 4.17Å; F989-L1036 HydrophobicContact CZ-CG 4.16Å; F1002-L1036 HydrophobicContact CE2-CD1 4.02Å; F1002-L1036 HydrophobicContact CZ-CD1 4.25Å; A1003-L1036 HydrophobicContact CB-CD2 3.58Å; D1020-L1036 HydrophobicContact CB-CB 4.29Å; D1020-L1036 PolarHBondContact O-N 3.15Å; L1036-T1040 HydrophobicContact CD1-CG2 4.35Å; L1036-T1040 HydrophobicContact CD2-CG2 4.37Å
1037P93.4Very high85.6Confident39 Ų3951.4 Ų51.425%0.25329%0.29SS..  trans-57.2148.5173.4-24.332.8000112.4G1039 T1040 K1066 E1068P1037-G1039 PolarHBondContact O-N 2.87Å; P1037-T1040 WeakPolarHBondContact CD-OG1 3.32Å; P1037-T1040 WeakPolarHBondContact O-CB 3.46Å; P1037-T1040 PolarHBondContact O-N 3.25Å; P1037-T1040 PolarHBondContact O-OG1 2.98Å; P1037-K1066 WeakPolarHBondContact CD-O 3.48Å; P1037-K1066 WeakPolarHBondContact CG-O 3.2Å; P1037-E1068 HydrophobicContact CG-CG 4.23Å
1038A88.1Confident83.3Confident119 Ų11951 Ų5198%0.98330%0.302SS*.THydrogen-bonded Turntrans-61.7-19.8-176.900000114.7
1039G85.7Confident81Confident68 Ų6851.3 Ų51.370%0.70131%0.311SS*.THydrogen-bonded Turntrans-91.311.9177.300000115P1037 V1041P1037-G1039 PolarHBondContact O-N 2.87Å; G1039-V1041 PolarHBondContact O-N 3.32Å
1040T86.4Confident79Confident23 Ų2353.5 Ų53.514%0.14133%0.333CS..  trans-67.2127.7-173.5-57.90000111.6F1002 L1036 P1037F1002-T1040 HydrophobicContact CD2-CG2 3.94Å; F1002-T1040 HydrophobicContact CE2-CG2 3.73Å; L1036-T1040 HydrophobicContact CD1-CG2 4.35Å; L1036-T1040 HydrophobicContact CD2-CG2 4.37Å; P1037-T1040 WeakPolarHBondContact CD-OG1 3.32Å; P1037-T1040 WeakPolarHBondContact O-CB 3.46Å; P1037-T1040 PolarHBondContact O-N 3.25Å; P1037-T1040 PolarHBondContact O-OG1 2.98Å
1041V86.2Confident76.6Confident87 Ų8759.8 Ų59.853%0.52737%0.365SS..  trans-104.4114.8176.9-178.30000109.5G1039 D1043 Q1065G1039-V1041 PolarHBondContact O-N 3.32Å; V1041-D1043 VanDerWaalsContact C-N 3.35Å; V1041-D1043 HydrophobicContact CG1-CB 4.49Å; V1041-Q1065 PolarHBondContact O-NE2 2.85Å
1042D83.1Confident74.3Confident19 Ų1966.8 Ų66.810%0.10239%0.391CS..SBendtrans-70.5-30.6179.2-71.216.2000112.6R977 R991 V1044R977-D1042 IonicContact CZ-OD1 3.32Å; R977-D1042 VanDerWaalsContact CZ-OD1 3.29Å; R977-D1042 IonicContact CZ-OD2 2.57Å; R977-D1042 VanDerWaalsContact NE-CG 3.32Å; R977-D1042 IonicContact NE-OD1 3.15Å; R977-D1042 PolarHBondContact NE-OD1 2.88Å; R977-D1042 VanDerWaalsContact NE-OD1 3.17Å; R977-D1042 IonicContact NE-OD2 3.33Å; R977-D1042 PolarHBondContact NE-OD2 3.29Å; R977-D1042 IonicContact NH2-OD1 2.78Å; R977-D1042 PolarHBondContact NH2-OD1 3.36Å; R977-D1042 IonicContact NH2-OD2 3.89Å; R977-D1042 PolarHBondContact NH2-OD2 2.96Å; R991-D1042 VanDerWaalsContact CD-O 3.23Å; R991-D1042 WeakPolarHBondContact CD-O 3.35Å; R991-D1042 HydrophobicContact CG-CB 4.5Å; D1042-V1044 VanDerWaalsContact C-N 3.31Å; D1042-V1044 PolarHBondContact O-N 2.99Å; D1042-V1044 VanDerWaalsContact O-N 3.12Å
1043D75.8Confident72.2Confident79 Ų7969.3 Ų69.342%0.42241%0.412SS..  trans-86.563.7-177.6-82.9-46.3000112.2R991 V1041 Q1045R991-D1043 IonicContact CZ-OD1 3.29Å; R991-D1043 IonicContact CZ-OD2 2.74Å; R991-D1043 IonicContact NE-OD1 3.26Å; R991-D1043 PolarHBondContact NE-OD1 2.88Å; R991-D1043 VanDerWaalsContact NE-OD1 3.11Å; R991-D1043 IonicContact NH1-OD1 2.72Å; R991-D1043 PolarHBondContact NH1-OD1 3Å; R991-D1043 IonicContact NH1-OD2 2.69Å; R991-D1043 PolarHBondContact NH1-OD2 3.27Å; R991-D1043 IonicContact NH2-OD1 3.95Å; R991-D1043 PolarHBondContact NH2-OD1 2.95Å; R991-D1043 IonicContact NH2-OD2 3.4Å; R991-D1043 PolarHBondContact NH2-OD2 3.46Å; V1041-D1043 VanDerWaalsContact C-N 3.35Å; V1041-D1043 HydrophobicContact CG1-CB 4.49Å; D1043-Q1045 PolarHBondContact O-N 3.17Å
1044V73.1Confident69.6Low30 Ų3076.1 Ų76.118%0.18245%0.448CS..  trans-71.8125.8168.3-172.30000108.2K993 F1002 D1042K993-V1044 PolarHBondContact NZ-O 2.76Å; F1002-V1044 HydrophobicContact CB-CG2 3.84Å; D1042-V1044 VanDerWaalsContact C-N 3.31Å; D1042-V1044 PolarHBondContact O-N 2.99Å; D1042-V1044 VanDerWaalsContact O-N 3.12Å
1045Q61.8Low67.2Low141 Ų14187.4 Ų87.466%0.65949%0.491SS*.  trans-90.4107.3170.7-76.6-175.8-15.100108D1043 D1047D1043-Q1045 PolarHBondContact O-N 3.17Å; Q1045-D1047 PolarHBondContact O-N 3.33Å
1046E57.4Low65.1Low95 Ų9587.1 Ų87.144%0.44450%0.496SS..  trans-67.6109.6162.9-75.9-178.7163.200107.5Q998 P1048Q998-E1046 PolarHBondContact NE2-OE2 2.83Å; E1046-P1048 WeakPolarHBondContact O-CD 3.39Å
1047D47.4Very low63.2Low54 Ų5494.7 Ų94.729%0.28953%0.529SS..  trans-71109-176.3-156.4-13.3000110Q1045 T1049 G1050 R1052Q1045-D1047 PolarHBondContact O-N 3.33Å; D1047-T1049 PolarHBondContact O-N 3.13Å; D1047-T1049 VanDerWaalsContact O-N 3.07Å; D1047-T1049 PolarHBondContact OD1-OG1 3.03Å; D1047-G1050 PolarHBondContact O-N 3.04Å; D1047-R1052 HydrophobicContact CB-CB 4.01Å; D1047-R1052 WeakPolarHBondContact OD2-CB 3.35Å; D1047-R1052 VanDerWaalsContact OD2-CD 3.25Å; D1047-R1052 WeakPolarHBondContact OD2-CD 3.23Å; D1047-R1052 VanDerWaalsContact OD2-CG 3.23Å; D1047-R1052 WeakPolarHBondContact OD2-CG 3.14Å
1048P48.9Very low61.6Low129 Ų12994.1 Ų94.184%0.83853%0.529SS*.THydrogen-bonded Turntrans-67.9-13.6-173.3-15.429.8000113.1E1046E1046-P1048 WeakPolarHBondContact O-CD 3.39Å
1049T47.3Very low60.5Low91 Ų9191.8 Ų91.856%0.55850%0.503SS*.THydrogen-bonded Turntrans-88.3-7.9-172.562.50000113.6D1047 I1051D1047-T1049 PolarHBondContact O-N 3.13Å; D1047-T1049 VanDerWaalsContact O-N 3.07Å; D1047-T1049 PolarHBondContact OD1-OG1 3.03Å; T1049-I1051 PolarHBondContact O-N 3.19Å; T1049-I1051 VanDerWaalsContact O-N 3.11Å
1050G51.8Low59.7Low45 Ų4595 Ų9546%0.46450%0.503SS..SBendtrans70-1.4179.800000115.1D1047 A1053D1047-G1050 PolarHBondContact O-N 3.04Å; G1050-A1053 WeakPolarHBondContact O-CB 3.36Å; G1050-A1053 PolarHBondContact O-N 2.94Å
1051I46.6Very low59.2Low139 Ų139102 Ų10271%0.71354%0.54SS*.SBendtrans-77-31.1-175.3-64.1165.3000111.4T1049T1049-I1051 PolarHBondContact O-N 3.19Å; T1049-I1051 VanDerWaalsContact O-N 3.11Å
1052R48.1Very low59Low149 Ų14999.2 Ų99.256%0.56253%0.529SS*.SBendtrans-86.8-8.4170.8-78.9-176.5166.3169.8-4.9114.9D1047 L1054 W1055 D1056D1047-R1052 HydrophobicContact CB-CB 4.01Å; D1047-R1052 WeakPolarHBondContact OD2-CB 3.35Å; D1047-R1052 VanDerWaalsContact OD2-CD 3.25Å; D1047-R1052 WeakPolarHBondContact OD2-CD 3.23Å; D1047-R1052 VanDerWaalsContact OD2-CG 3.23Å; D1047-R1052 WeakPolarHBondContact OD2-CG 3.14Å; R1052-L1054 PolarHBondContact O-N 2.78Å; R1052-W1055 PolarHBondContact O-N 3.27Å; R1052-D1056 PolarHBondContact O-N 3.29Å; R1052-D1056 VanDerWaalsContact O-N 3.14Å
1053A51.3Low59Low56 Ų5698.7 Ų98.746%0.46353%0.527SS..THydrogen-bonded Turntrans-63.6-14.7-172.700000115G1050G1050-A1053 WeakPolarHBondContact O-CB 3.36Å; G1050-A1053 PolarHBondContact O-N 2.94Å
1054L43.3Very low59.3Low143 Ų14397.4 Ų97.475%0.74952%0.524SS*.THydrogen-bonded Turntrans-74.1-28.4171.9-99.2147.4000113.2R1052R1052-L1054 PolarHBondContact O-N 2.78Å
1055W46.2Very low60.1Low236 Ų23697.8 Ų97.889%0.89452%0.524SS*.THydrogen-bonded Turntrans-99.7-25.2-179.5-64.184.6000112.5R1052 K1057R1052-W1055 PolarHBondContact O-N 3.27Å; W1055-K1057 VanDerWaalsContact C-N 3.25Å; W1055-K1057 PolarHBondContact O-N 2.84Å
1056D51.6Low61.6Low82 Ų8292.9 Ų92.944%0.43950%0.5SS..  trans-85.520.7174.3-86.9-27.7000113.7R1052 G1058R1052-D1056 PolarHBondContact O-N 3.29Å; R1052-D1056 VanDerWaalsContact O-N 3.14Å; D1056-G1058 PolarHBondContact O-N 3.25Å
1057K54.2Low63.2Low165 Ų16588.6 Ų88.672%0.71748%0.481SS*.  trans-61.1106.2168-79-169177.3-176.40107.7W1055 V1059W1055-K1057 VanDerWaalsContact C-N 3.25Å; W1055-K1057 PolarHBondContact O-N 2.84Å; K1057-V1059 PolarHBondContact O-N 3.41Å
1058G59.1Low65.4Low26 Ų2691.1 Ų91.127%0.26849%0.491SS..  trans-43.8137.7179.200000111.9D1056 L1060 N1061 G1062D1056-G1058 PolarHBondContact O-N 3.25Å; G1058-L1060 PolarHBondContact O-N 3.06Å; G1058-N1061 PolarHBondContact O-N 3.13Å; G1058-G1062 WeakPolarHBondContact CA-O 3.41Å
1059V64.4Low67.6Low71 Ų7186.7 Ų86.743%0.4346%0.46SS..G310 helixtrans-65.5128.1-178.1176.60000107.6K1057 N1061 G1062 A1063 K1066K1057-V1059 PolarHBondContact O-N 3.41Å; V1059-N1061 VanDerWaalsContact C-N 3.33Å; V1059-N1061 PolarHBondContact O-N 3.05Å; V1059-G1062 PolarHBondContact O-N 3.31Å; V1059-G1062 VanDerWaalsContact O-N 3.16Å; V1059-A1063 PolarHBondContact N-O 3.09Å; V1059-K1066 HydrophobicContact CG1-CG 4.39Å; V1059-K1066 WeakPolarHBondContact O-CE 3.4Å; V1059-K1066 PolarHBondContact O-NZ 2.9Å
1060L70Confident69.9Low134 Ų13483.8 Ų83.870%0.70244%0.441SS*.G310 helixtrans56.837.8179.9-58.1167.6000114.4G1058 G1062G1058-L1060 PolarHBondContact O-N 3.06Å; L1060-G1062 PolarHBondContact O-N 3.36Å
1061N76.6Confident72Confident172 Ų17281.7 Ų81.792%0.9242%0.419SS*.G310 helixtrans62.719.7-177.3-61.8-25.3000115G1058 V1059G1058-N1061 PolarHBondContact O-N 3.13Å; V1059-N1061 VanDerWaalsContact C-N 3.33Å; V1059-N1061 PolarHBondContact O-N 3.05Å
1062G80.8Confident74.4Confident28 Ų2875.3 Ų75.329%0.28939%0.386SS..SBendtrans-124.7-145.2179.500000112.9D1004 G1058 V1059 L1060D1004-G1062 VanDerWaalsContact OD2-CA 3.22Å; D1004-G1062 WeakPolarHBondContact OD2-CA 3.39Å; G1058-G1062 WeakPolarHBondContact CA-O 3.41Å; V1059-G1062 PolarHBondContact O-N 3.31Å; V1059-G1062 VanDerWaalsContact O-N 3.16Å; L1060-G1062 PolarHBondContact O-N 3.36Å
1063A83.4Confident76.7Confident7 Ų768.3 Ų68.36%0.05836%0.36CS..  trans-69.2162.5173.700000112L1001 D1004 V1059 Q1065L1001-A1063 HydrophobicContact CD2-CB 4.32Å; L1001-A1063 HydrophobicContact CG-CB 4.05Å; D1004-A1063 HydrophobicContact CB-CB 4.18Å; D1004-A1063 WeakPolarHBondContact OD1-CB 3.23Å; D1004-A1063 PolarHBondContact OD1-N 2.89Å; D1004-A1063 PolarHBondContact OD2-N 2.96Å; V1059-A1063 PolarHBondContact N-O 3.09Å; A1063-Q1065 VanDerWaalsContact C-N 3.34Å
1064S82.8Confident78.9Confident53 Ų5365.7 Ų65.737%0.37134%0.338SS..SBendtrans-71.2-29.2178.555.30000113
1065Q89.8Confident81.4Confident38 Ų3859 Ų5918%0.17830%0.303CS..EExtended strand (participates in β ladder)trans-110136.9-177.6-59.3171.492.800110.3F1002 A1003 D1004 V1041 A1063F1002-Q1065 WeakPolarHBondContact O-CB 3.22Å; F1002-Q1065 PolarHBondContact O-NE2 3.01Å; A1003-Q1065 WeakPolarHBondContact CA-O 3.33Å; A1003-Q1065 HydrophobicContact CB-CB 4.08Å; A1003-Q1065 WeakPolarHBondContact CB-O 3.21Å; D1004-Q1065 PolarHBondContact N-O 3.07Å; V1041-Q1065 PolarHBondContact O-NE2 2.85Å; A1063-Q1065 VanDerWaalsContact C-N 3.34Å
1066K91.9Very high83.6Confident37 Ų3748.9 Ų48.916%0.16127%0.271CS..EExtended strand (participates in β ladder)trans-112.4144.3-176-61.7-55.7-179.1-179.10111.8D1004 T1006 P1037 V1059D1004-K1066 WeakPolarHBondContact O-CA 3.23Å; D1004-K1066 WeakPolarHBondContact OD1-CD 3.46Å; D1004-K1066 WeakPolarHBondContact OD1-CE 3.34Å; D1004-K1066 IonicContact OD1-NZ 3.58Å; D1004-K1066 PolarHBondContact OD1-NZ 2.8Å; D1004-K1066 IonicContact OD2-NZ 3.87Å; D1004-K1066 PolarHBondContact OD2-NZ 2.91Å; T1006-K1066 HydrophobicContact CG2-CB 3.83Å; T1006-K1066 HydrophobicContact CG2-CD 4.06Å; T1006-K1066 HydrophobicContact CG2-CG 3.92Å; P1037-K1066 WeakPolarHBondContact CD-O 3.48Å; P1037-K1066 WeakPolarHBondContact CG-O 3.2Å; V1059-K1066 HydrophobicContact CG1-CG 4.39Å; V1059-K1066 WeakPolarHBondContact O-CE 3.4Å; V1059-K1066 PolarHBondContact O-NZ 2.9Å
1067C92.6Very high85.7Confident6 Ų645.4 Ų45.44%0.04125%0.253CS..  trans-76.2148.6174-57.70000111.8F989 D1004 L1034F989-C1067 WeakPolarHBondContact CE2-SG 3.07Å; D1004-C1067 PolarHBondContact O-N 3.33Å; D1004-C1067 PolarHBondContact O-SG 3.29Å; L1034-C1067 HydrophobicContact CB-CB 4.3Å
1068E93.7Very high87.7Confident106 Ų10638.8 Ų38.850%0.49523%0.227SC..EExtended strand (participates in β ladder)trans-95.6134.8171.7-68.5178.7-172.600110.8L1034 R1035 P1037 I1070L1034-E1068 CarbonylContact C-O 3.31Å; L1034-E1068 WeakPolarHBondContact CA-O 3.47Å; R1035-E1068 PolarHBondContact N-O 3.32Å; R1035-E1068 PolarHBondContact O-N 3.09Å; P1037-E1068 HydrophobicContact CG-CG 4.23Å; E1068-I1070 PolarHBondContact O-N 3.33Å
1069L94.8Very high89.4Confident36 Ų3637.6 Ų37.619%0.18821%0.214CC..EExtended strand (participates in β ladder)trans-79.5113.3172.8-179.766.4000110A1032 L1034 A1071 F1072 K1149A1032-L1069 HydrophobicContact CB-CD1 3.98Å; L1034-L1069 HydrophobicContact CD2-CD1 3.92Å; L1069-A1071 WeakPolarHBondContact CD1-O 3.43Å; L1069-F1072 HydrophobicContact CD1-CB 4.4Å; L1069-F1072 HydrophobicContact CD2-CB 4.19Å; L1069-K1149 WeakPolarHBondContact O-CE 3.4Å; L1069-K1149 PolarHBondContact O-NZ 3.24Å
1070I95.1Very high90.9Very high31 Ų3135.6 Ų35.616%0.15920%0.202CC..EExtended strand (participates in β ladder)trans-89.4-49.2-179.5-60.5-59.4000111.6M1 I1033 R1035 E1068 K1149M1-I1070 HydrophobicContact CB-CG2 4Å; I1033-I1070 HydrophobicContact CG2-CB 4.35Å; I1033-I1070 PolarHBondContact O-N 3.07Å; R1035-I1070 HydrophobicContact CB-CD1 3.91Å; R1035-I1070 HydrophobicContact CB-CG1 3.45Å; R1035-I1070 VanDerWaalsContact CB-CG1 3.45Å; R1035-I1070 HydrophobicContact CG-CG1 4.48Å; E1068-I1070 PolarHBondContact O-N 3.33Å; I1070-K1149 WeakPolarHBondContact O-CD 3.48Å; I1070-K1149 WeakPolarHBondContact O-CG 3.35Å
1071A95.9Very high92.1Very high0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-135146.918000000111L3 A1032 I1033 L1069 K1149 V1151L3-A1071 HydrophobicContact CD1-CB 4.22Å; A1032-A1071 WeakPolarHBondContact CA-O 3.37Å; I1033-A1071 HydrophobicContact CB-CB 4.1Å; I1033-A1071 HydrophobicContact CD1-CB 4.1Å; I1033-A1071 HydrophobicContact CG1-CB 4.22Å; I1033-A1071 PolarHBondContact N-O 2.93Å; I1033-A1071 PolarHBondContact O-N 3.05Å; L1069-A1071 WeakPolarHBondContact CD1-O 3.43Å; A1071-K1149 VanDerWaalsContact CA-O 3.25Å; A1071-K1149 WeakPolarHBondContact CA-O 3.46Å; A1071-V1151 HydrophobicContact CB-CG2 4.11Å
1072F96.9Very high93.1Very high5 Ų522.6 Ų22.62%0.02213%0.134CC..EExtended strand (participates in β ladder)trans-144.5133.3175.6-177.5-87.2000109.5N1030 L1031 A1032 L1069 G1146 P1147 V1148 K1149N1030-F1072 HydrophobicContact CB-CE2 3.87Å; N1030-F1072 HydrophobicContact CB-CZ 3.92Å; N1030-F1072 VanDerWaalsContact OD1-CZ 3.31Å; N1030-F1072 WeakPolarHBondContact OD1-CZ 3.43Å; L1031-F1072 WeakPolarHBondContact O-CA 3.43Å; A1032-F1072 HydrophobicContact CB-CD2 4.24Å; L1069-F1072 HydrophobicContact CD1-CB 4.4Å; L1069-F1072 HydrophobicContact CD2-CB 4.19Å; F1072-G1146 WeakPolarHBondContact CD1-O 3.47Å; F1072-G1146 VanDerWaalsContact CE1-C 3.44Å; F1072-G1146 WeakPolarHBondContact CE1-O 3.46Å; F1072-P1147 WeakPolarHBondContact CD1-O 3.32Å; F1072-V1148 WeakPolarHBondContact O-CA 3.34Å; F1072-K1149 HydrophobicContact CB-CB 4.4Å; F1072-K1149 PolarHBondContact N-O 2.93Å; F1072-K1149 VanDerWaalsContact N-O 3.15Å; F1072-K1149 PolarHBondContact O-N 3.08Å
1073F96.9Very high93.8Very high2 Ų223.2 Ų23.21%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-149.5133.9-179.9-172.3-103000111H5 L1031 V1075 R1142 V1151 D1153H5-F1073 HydrophobicContact CB-CE1 4.24Å; H5-F1073 HydrophobicContact CB-CE2 4.3Å; H5-F1073 HydrophobicContact CB-CZ 3.89Å; H5-F1073 AromaticContact CD2-CE1 3.33Å; H5-F1073 WeakPolarHBondContact CD2-CE1 3.34Å; H5-F1073 AromaticContact CD2-CZ 3.78Å; H5-F1073 AromaticContact CE1-CE1 3.87Å; H5-F1073 AromaticContact CG-CE1 3.55Å; H5-F1073 AromaticContact CG-CZ 3.46Å; H5-F1073 VanDerWaalsContact CG-CZ 3.46Å; H5-F1073 AromaticContact ND1-CE1 3.87Å; H5-F1073 AromaticContact ND1-CZ 3.63Å; H5-F1073 AromaticContact NE2-CE1 3.54Å; L1031-F1073 PolarHBondContact N-O 3.11Å; L1031-F1073 PolarHBondContact O-N 2.96Å; F1073-V1075 HydrophobicContact CD1-CG2 3.95Å; F1073-V1075 HydrophobicContact CE1-CG2 4.22Å; F1073-R1142 HydrophobicContact CE2-CB 4.43Å; F1073-R1142 HydrophobicContact CE2-CG 4.06Å; F1073-R1142 HydrophobicContact CZ-CG 4.48Å; F1073-R1142 VanDerWaalsContact CZ-CZ 3.45Å; F1073-V1151 HydrophobicContact CB-CB 4.28Å; F1073-V1151 HydrophobicContact CB-CG1 4.27Å; F1073-V1151 HydrophobicContact CB-CG2 4.04Å; F1073-V1151 HydrophobicContact CD2-CB 3.87Å; F1073-V1151 HydrophobicContact CD2-CG1 3.52Å; F1073-V1151 HydrophobicContact CE2-CG1 3.96Å; F1073-V1151 HydrophobicContact CG-CB 4.38Å; F1073-V1151 HydrophobicContact CG-CG1 3.97Å; F1073-D1153 HydrophobicContact CE2-CB 4.32Å
1074F97.6Very high94.3Very high2 Ų226.9 Ų26.91%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-93.8113.9172.1-178.7-113.3000110.6I61 F1028 G1029 N1030 Y1141 R1142 F1144 Y1145I61-F1074 HydrophobicContact CD1-CZ 4.45Å; F1028-F1074 VanDerWaalsContact O-CE2 3.3Å; F1028-F1074 WeakPolarHBondContact O-CE2 3.13Å; G1029-F1074 WeakPolarHBondContact O-CD2 3.2Å; N1030-F1074 VanDerWaalsContact OD1-CD2 3.29Å; N1030-F1074 WeakPolarHBondContact OD1-CD2 3.39Å; F1074-Y1141 HydrophobicContact CD1-CD2 4.2Å; F1074-Y1141 AromaticContact CD1-CE2 3.97Å; F1074-Y1141 HydrophobicContact CD1-CE2 3.97Å; F1074-Y1141 WeakPolarHBondContact CD1-O 3.37Å; F1074-Y1141 HydrophobicContact CE1-CD2 4.03Å; F1074-Y1141 AromaticContact CE1-CE2 3.6Å; F1074-Y1141 HydrophobicContact CE1-CE2 3.6Å; F1074-R1142 WeakPolarHBondContact CB-O 3.21Å; F1074-R1142 PolarHBondContact N-O 3.48Å; F1074-R1142 VanDerWaalsContact O-CD 3.26Å; F1074-R1142 WeakPolarHBondContact O-CD 3.34Å; F1074-R1142 PolarHBondContact O-NH1 2.83Å; F1074-F1144 HydrophobicContact CB-CB 4.29Å; F1074-F1144 HydrophobicContact CD1-CB 3.59Å; F1074-F1144 HydrophobicContact CD1-CD2 4.4Å; F1074-F1144 HydrophobicContact CD1-CG 4.28Å; F1074-F1144 HydrophobicContact CD2-CB 3.91Å; F1074-F1144 HydrophobicContact CE1-CB 3.68Å; F1074-F1144 AromaticContact CE1-CD2 3.75Å; F1074-F1144 HydrophobicContact CE1-CD2 3.75Å; F1074-F1144 AromaticContact CE1-CG 3.85Å; F1074-F1144 HydrophobicContact CE1-CG 3.85Å; F1074-F1144 HydrophobicContact CE2-CB 4.01Å; F1074-F1144 HydrophobicContact CE2-CG 4.28Å; F1074-F1144 HydrophobicContact CG-CB 3.66Å; F1074-F1144 HydrophobicContact CZ-CB 3.87Å; F1074-F1144 HydrophobicContact CZ-CD1 4.34Å; F1074-F1144 HydrophobicContact CZ-CD2 4.01Å; F1074-F1144 AromaticContact CZ-CG 3.83Å; F1074-F1144 HydrophobicContact CZ-CG 3.83Å; F1074-Y1145 HydrophobicContact CD2-CD2 4.03Å; F1074-Y1145 HydrophobicContact CD2-CE2 4.3Å; F1074-Y1145 AromaticContact CE2-CD2 3.82Å; F1074-Y1145 HydrophobicContact CE2-CD2 3.82Å; F1074-Y1145 AromaticContact CE2-CE2 3.63Å; F1074-Y1145 HydrophobicContact CE2-CE2 3.63Å; F1074-Y1145 HydrophobicContact CZ-CE2 4.27Å
1075V95.6Very high94.8Very high3 Ų325.5 Ų25.52%0.01813%0.134CC..  trans-77.6-38.3176.71770000110.4G1029 F1073 I1079 Y1097 T1099 Y1141 R1142G1029-V1075 PolarHBondContact O-N 3.34Å; F1073-V1075 HydrophobicContact CD1-CG2 3.95Å; F1073-V1075 HydrophobicContact CE1-CG2 4.22Å; V1075-I1079 HydrophobicContact CG2-CD1 4.14Å; V1075-Y1097 HydrophobicContact CG1-CE2 3.69Å; V1075-Y1097 HydrophobicContact CG2-CE1 4.45Å; V1075-Y1097 HydrophobicContact CG2-CE2 4.05Å; V1075-T1099 HydrophobicContact CG1-CG2 4.17Å; V1075-Y1141 PolarHBondContact O-OH 3.49Å; V1075-R1142 PolarHBondContact O-NH1 2.84Å
1076G92.5Very high94.9Very high22 Ų2225.9 Ų25.923%0.22714%0.139CC..SBendtrans103.1-6.9-176.200000114.8G1029G1029-G1076 PolarHBondContact O-N 3.49Å
1077E94.3Very high94.6Very high10 Ų1024.1 Ų24.15%0.04713%0.131CC..SBendtrans-139.3144.5-173.4-55.4-176.6156.600111P11 H36 G1029 I1079 T1099 S1101 T1103P11-E1077 WeakPolarHBondContact CB-OE1 3.33Å; H36-E1077 VanDerWaalsContact CE1-CD 3.46Å; H36-E1077 IonicContact CE1-OE1 3.71Å; H36-E1077 PolarHBondContact CE1-OE1 3.29Å; H36-E1077 IonicContact ND1-OE1 3.18Å; H36-E1077 PolarHBondContact ND1-OE1 3.02Å; G1029-E1077 WeakPolarHBondContact CA-O 3.47Å; E1077-I1079 PolarHBondContact O-N 2.9Å; E1077-I1079 VanDerWaalsContact O-N 3.16Å; E1077-T1099 HydrophobicContact CB-CG2 4Å; E1077-T1099 WeakPolarHBondContact OE2-CB 3.34Å; E1077-T1099 PolarHBondContact OE2-OG1 3.09Å; E1077-S1101 VanDerWaalsContact OE1-CB 3.25Å; E1077-S1101 WeakPolarHBondContact OE1-CB 3.03Å; E1077-S1101 PolarHBondContact OE1-OG 3.14Å; E1077-S1101 WeakPolarHBondContact OE2-CB 3.47Å; E1077-T1103 VanDerWaalsContact OE2-CB 3.24Å; E1077-T1103 WeakPolarHBondContact OE2-CB 3.45Å; E1077-T1103 PolarHBondContact OE2-OG1 2.86Å
1078C96.1Very high94Very high26 Ų2626 Ų2618%0.17614%0.14CC..  trans-60118.8-1801760000111K1027 T1099 I1100K1027-C1078 WeakPolarHBondContact O-CB 3.49Å; C1078-T1099 CarbonylContact O-C 3.48Å; C1078-T1099 VanDerWaalsContact O-CA 3.31Å; C1078-T1099 WeakPolarHBondContact O-CA 3.46Å; C1078-I1100 HydrophobicContact CB-CB 4.25Å; C1078-I1100 HydrophobicContact CB-CG2 3.76Å; C1078-I1100 PolarHBondContact O-N 3.05Å
1079I96.6Very high93.1Very high0 Ų025.4 Ų25.40%014%0.144CC..EExtended strand (participates in β ladder)trans-79.7129.1179.2-55.5176000108.6T1012 L1031 V1075 E1077 L1082T1012-I1079 VanDerWaalsContact CB-O 3.31Å; T1012-I1079 WeakPolarHBondContact CB-O 3.42Å; T1012-I1079 PolarHBondContact OG1-O 3.35Å; L1031-I1079 HydrophobicContact CB-CD1 3.79Å; L1031-I1079 HydrophobicContact CD1-CD1 4.19Å; L1031-I1079 HydrophobicContact CG-CD1 4.3Å; V1075-I1079 HydrophobicContact CG2-CD1 4.14Å; E1077-I1079 PolarHBondContact O-N 2.9Å; E1077-I1079 VanDerWaalsContact O-N 3.16Å; I1079-L1082 HydrophobicContact CG2-CD2 4.29Å; I1079-L1082 HydrophobicContact CG2-CG 4.08Å
1080T95.6Very high92.2Very high29 Ų2927.8 Ų27.818%0.17818%0.177CC..EExtended strand (participates in β ladder)trans-109.2-26-177.354.10000113.1I412 C1013 A1098 I1100I412-T1080 WeakPolarHBondContact O-CB 3.35Å; I412-T1080 VanDerWaalsContact O-CG2 3.22Å; I412-T1080 WeakPolarHBondContact O-CG2 3.42Å; I412-T1080 PolarHBondContact O-OG1 3.06Å; C1013-T1080 WeakPolarHBondContact CB-O 3.45Å; T1080-A1098 PolarHBondContact N-O 3.27Å; T1080-A1098 PolarHBondContact OG1-O 3.03Å; T1080-I1100 HydrophobicContact CG2-CB 4.26Å
1081S95.5Very high91.5Very high15 Ų1527.4 Ų27.411%0.10518%0.178CC..EExtended strand (participates in β ladder)trans-141.8147.8175.264.10000112.2C415 Y1097 A1098C415-S1081 WeakPolarHBondContact CB-OG 3.5Å; S1081-Y1097 VanDerWaalsContact O-CA 3.28Å; S1081-Y1097 WeakPolarHBondContact O-CA 3.48Å; S1081-A1098 PolarHBondContact O-N 2.95Å; S1081-A1098 VanDerWaalsContact O-N 3.1Å; S1081-A1098 VanDerWaalsContact OG-CB 3.25Å; S1081-A1098 WeakPolarHBondContact OG-CB 3.44Å
1082L96.2Very high91Very high18 Ų1830.5 Ų30.59%0.09420%0.199CC..EExtended strand (participates in β ladder)trans-133.5130.3171.9-76.4167.7000108.6C1015 A1023 G1025 L1031 I1079 L1095 I1096 Y1097C1015-L1082 HydrophobicContact CB-CB 3.81Å; A1023-L1082 HydrophobicContact CB-CD1 4.45Å; G1025-L1082 VanDerWaalsContact N-CD1 3.31Å; L1031-L1082 HydrophobicContact CD1-CD2 3.95Å; I1079-L1082 HydrophobicContact CG2-CD2 4.29Å; I1079-L1082 HydrophobicContact CG2-CG 4.08Å; L1082-L1095 HydrophobicContact CB-CD1 4.41Å; L1082-L1095 HydrophobicContact CD2-CD1 4.1Å; L1082-L1095 HydrophobicContact CD2-CD2 4.42Å; L1082-L1095 HydrophobicContact CD2-CG 4.29Å; L1082-I1096 WeakPolarHBondContact CA-O 3.39Å; L1082-Y1097 VanDerWaalsContact CD2-CB 3.49Å
1083Q95.6Very high90.8Very high41 Ų4134.1 Ų34.119%0.19222%0.218CC..EExtended strand (participates in β ladder)trans-143.7131.3177.8-169.5-178.6-6.200110.6I417 I1096I417-Q1083 PolarHBondContact O-NE2 2.83Å; Q1083-I1096 PolarHBondContact N-O 3.38Å; Q1083-I1096 PolarHBondContact O-N 2.92Å
1084K95.4Very high90.6Very high84 Ų8434.1 Ų34.137%0.36522%0.219SC..EExtended strand (participates in β ladder)trans-85.1119.9168-173.2-174.967.7163.20109L1017 D1093 I1094L1017-K1084 HydrophobicContact CD2-CB 4.26Å; L1017-K1084 HydrophobicContact CD2-CD 4.31Å; L1017-K1084 HydrophobicContact CD2-CG 4.49Å; L1017-K1084 PolarHBondContact O-NZ 3.15Å; K1084-D1093 HydrophobicContact CD-CB 4.21Å; K1084-D1093 HydrophobicContact CG-CB 4.05Å; K1084-D1093 IonicContact NZ-OD2 3.3Å; K1084-I1094 WeakPolarHBondContact CA-O 3.34Å
1085T92.9Very high90.6Very high24 Ų2434.5 Ų34.515%0.14722%0.221CC..EExtended strand (participates in β ladder)trans-158175.1-177.7-1660000111.6I417 I1094 I1096I417-T1085 HydrophobicContact CB-CG2 4.08Å; I417-T1085 HydrophobicContact CD1-CG2 4Å; I417-T1085 HydrophobicContact CG2-CG2 3.87Å; T1085-I1094 PolarHBondContact N-O 2.99Å; T1085-I1094 VanDerWaalsContact O-CG1 3.31Å; T1085-I1094 WeakPolarHBondContact O-CG1 3.07Å; T1085-I1094 PolarHBondContact O-N 3.38Å; T1085-I1094 VanDerWaalsContact O-O 3.14Å; T1085-I1096 HydrophobicContact CG2-CD1 3.52Å; T1085-I1096 HydrophobicContact CG2-CG1 4.26Å
1086T91.3Very high90.6Very high46 Ų4634.5 Ų34.528%0.28222%0.221SC..  trans-109.5136.7171.8520000109P426 D1093P426-T1086 WeakPolarHBondContact CG-O 3.42Å; T1086-D1093 WeakPolarHBondContact CG2-OD1 3.39Å
1087L85.9Confident90.8Very high1 Ų133.6 Ų33.61%0.00521%0.21CC..SBendtrans-94-25.7176.9-71.9178.1000113L8 I417 P426 I1094 I1096 F1195L8-L1087 HydrophobicContact CD1-CD1 3.64Å; I417-L1087 HydrophobicContact CG2-CD2 4.37Å; P426-L1087 WeakPolarHBondContact CD-O 3.14Å; L1087-I1094 HydrophobicContact CD1-CD1 3.55Å; L1087-I1094 HydrophobicContact CG-CD1 3.76Å; L1087-I1096 HydrophobicContact CD1-CD1 3.82Å; L1087-I1096 HydrophobicContact CD2-CD1 3.47Å; L1087-I1096 VanDerWaalsContact CD2-CD1 3.47Å; L1087-I1096 HydrophobicContact CG-CD1 3.61Å; L1087-F1195 HydrophobicContact CB-CE1 4.18Å; L1087-F1195 HydrophobicContact CB-CZ 4.04Å; L1087-F1195 HydrophobicContact CD1-CE2 3.9Å; L1087-F1195 HydrophobicContact CD1-CZ 3.97Å; L1087-F1195 HydrophobicContact CD2-CE2 4.46Å; L1087-F1195 HydrophobicContact CD2-CZ 3.99Å; L1087-F1195 HydrophobicContact CG-CZ 4.22Å
1088I80.5Confident90.9Very high44 Ų4433.1 Ų33.123%0.22621%0.208CC..SBendtrans-124.5136.4180-59.1165.9000107.8G1090 S1091 A1194I1088-G1090 PolarHBondContact O-N 2.94Å; I1088-S1091 WeakPolarHBondContact O-CB 3.41Å; I1088-S1091 PolarHBondContact O-N 2.91Å; I1088-S1091 PolarHBondContact O-OG 2.99Å; I1088-A1194 WeakPolarHBondContact CD1-O 3.36Å
1089T74.9Confident90.9Very high95 Ų9531.9 Ų31.958%0.58320%0.2SC*.THydrogen-bonded Turntrans-56.7122.4174.8-35.60000110.2D424D424-T1089 PolarHBondContact O-OG1 2.96Å; D424-T1089 VanDerWaalsContact O-OG1 3.13Å
1090G75.1Confident90.9Very high85 Ų8534.8 Ų34.888%0.87622%0.215SC*.THydrogen-bonded Turntrans87.4-0.6-178.600000115.5I1088I1088-G1090 PolarHBondContact O-N 2.94Å
1091S79.8Confident90.9Very high24 Ų2433.5 Ų33.517%0.16821%0.207CC..PPolyproline II helixtrans-74.7167.1170.578.10000111.8I1088 R1192I1088-S1091 WeakPolarHBondContact O-CB 3.41Å; I1088-S1091 PolarHBondContact O-N 2.91Å; I1088-S1091 PolarHBondContact O-OG 2.99Å; S1091-R1192 WeakPolarHBondContact CB-O 3.22Å
1092S86.6Confident90.8Very high64 Ų6432.8 Ų32.845%0.44820%0.202SC..PPolyproline II helixtrans-75157168-550000111.3I1094S1092-I1094 PolarHBondContact O-N 2.86Å
1093D91.7Very high90.7Very high81 Ų8132 Ų3243%0.43320%0.198SC..PPolyproline II helixtrans-58.2134.1171.4-70.63000110.7K1084 T1086K1084-D1093 HydrophobicContact CD-CB 4.21Å; K1084-D1093 HydrophobicContact CG-CB 4.05Å; K1084-D1093 IonicContact NZ-OD2 3.3Å; T1086-D1093 WeakPolarHBondContact CG2-OD1 3.39Å
1094I93.9Very high90.7Very high3 Ų330 Ų302%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-122.9155.4173.358.7165.8000109.5K1084 T1085 L1087 S1092 I1096 A1106 A1108 Y1193K1084-I1094 WeakPolarHBondContact CA-O 3.34Å; T1085-I1094 PolarHBondContact N-O 2.99Å; T1085-I1094 VanDerWaalsContact O-CG1 3.31Å; T1085-I1094 WeakPolarHBondContact O-CG1 3.07Å; T1085-I1094 PolarHBondContact O-N 3.38Å; T1085-I1094 VanDerWaalsContact O-O 3.14Å; L1087-I1094 HydrophobicContact CD1-CD1 3.55Å; L1087-I1094 HydrophobicContact CG-CD1 3.76Å; S1092-I1094 PolarHBondContact O-N 2.86Å; I1094-I1096 HydrophobicContact CD1-CD1 3.82Å; I1094-I1096 HydrophobicContact CD1-CG1 3.77Å; I1094-I1096 HydrophobicContact CG1-CD1 4.18Å; I1094-I1096 HydrophobicContact CG1-CG1 3.98Å; I1094-A1106 HydrophobicContact CD1-CB 3.99Å; I1094-A1108 HydrophobicContact CG2-CB 4.25Å; I1094-Y1193 WeakPolarHBondContact CD1-O 3.32Å; I1094-Y1193 HydrophobicContact CG2-CD1 3.58Å; I1094-Y1193 HydrophobicContact CG2-CG 4.14Å
1095L96Very high90.7Very high9 Ų926 Ų265%0.04717%0.171CC..EExtended strand (participates in β ladder)trans-96.6111.6173.617563.3000108.8L1017 A1023 L1031 L1082 A1106 L1107L1017-L1095 HydrophobicContact CD2-CD1 4.04Å; L1017-L1095 HydrophobicContact CD2-CD2 4.4Å; A1023-L1095 HydrophobicContact CB-CD1 4.34Å; A1023-L1095 HydrophobicContact CB-CD2 3.64Å; L1031-L1095 HydrophobicContact CD2-CD2 4.41Å; L1082-L1095 HydrophobicContact CB-CD1 4.41Å; L1082-L1095 HydrophobicContact CD2-CD1 4.1Å; L1082-L1095 HydrophobicContact CD2-CD2 4.42Å; L1082-L1095 HydrophobicContact CD2-CG 4.29Å; L1095-A1106 CarbonylContact O-C 3.48Å; L1095-A1106 WeakPolarHBondContact O-CA 3.49Å; L1095-L1107 HydrophobicContact CB-CB 4.25Å; L1095-L1107 HydrophobicContact CD2-CD1 4.13Å; L1095-L1107 PolarHBondContact N-O 3.1Å; L1095-L1107 VanDerWaalsContact N-O 3.07Å; L1095-L1107 PolarHBondContact O-N 2.9Å
1096I95.8Very high90.8Very high4 Ų425 Ų252%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-97.9140.6178-59.9176.8000109.2I417 L1082 Q1083 T1085 L1087 I1094 I1104 G1105 A1106I417-I1096 HydrophobicContact CD1-CB 3.83Å; I417-I1096 HydrophobicContact CD1-CD1 3.42Å; I417-I1096 VanDerWaalsContact CD1-CD1 3.42Å; I417-I1096 HydrophobicContact CD1-CG1 4.21Å; I417-I1096 HydrophobicContact CD1-CG2 3.56Å; L1082-I1096 WeakPolarHBondContact CA-O 3.39Å; Q1083-I1096 PolarHBondContact N-O 3.38Å; Q1083-I1096 PolarHBondContact O-N 2.92Å; T1085-I1096 HydrophobicContact CG2-CD1 3.52Å; T1085-I1096 HydrophobicContact CG2-CG1 4.26Å; L1087-I1096 HydrophobicContact CD1-CD1 3.82Å; L1087-I1096 HydrophobicContact CD2-CD1 3.47Å; L1087-I1096 VanDerWaalsContact CD2-CD1 3.47Å; L1087-I1096 HydrophobicContact CG-CD1 3.61Å; I1094-I1096 HydrophobicContact CD1-CD1 3.82Å; I1094-I1096 HydrophobicContact CD1-CG1 3.77Å; I1094-I1096 HydrophobicContact CG1-CD1 4.18Å; I1094-I1096 HydrophobicContact CG1-CG1 3.98Å; I1096-I1104 HydrophobicContact CG2-CG2 3.92Å; I1096-G1105 WeakPolarHBondContact CA-O 3.39Å; I1096-G1105 WeakPolarHBondContact CG2-O 3.09Å; I1096-A1106 HydrophobicContact CG1-CB 4.4Å
1097Y96.8Very high91Very high2 Ų222.9 Ų22.91%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-129.7147.9175.372.1-96.7000110.4H5 L1031 V1075 S1081 L1082 T1099 I1104 G1105H5-Y1097 AromaticContact NE2-CE1 3.84Å; H5-Y1097 AromaticContact NE2-CZ 3.62Å; H5-Y1097 PolarHBondContact NE2-OH 2.96Å; L1031-Y1097 HydrophobicContact CD1-CD1 4.04Å; L1031-Y1097 HydrophobicContact CD1-CG 4.4Å; V1075-Y1097 HydrophobicContact CG1-CE2 3.69Å; V1075-Y1097 HydrophobicContact CG2-CE1 4.45Å; V1075-Y1097 HydrophobicContact CG2-CE2 4.05Å; S1081-Y1097 VanDerWaalsContact O-CA 3.28Å; S1081-Y1097 WeakPolarHBondContact O-CA 3.48Å; L1082-Y1097 VanDerWaalsContact CD2-CB 3.49Å; Y1097-T1099 HydrophobicContact CD2-CG2 3.83Å; Y1097-T1099 HydrophobicContact CE2-CG2 3.71Å; Y1097-I1104 WeakPolarHBondContact O-CA 3.36Å; Y1097-G1105 WeakPolarHBondContact CD1-O 3.39Å; Y1097-G1105 VanDerWaalsContact CE1-C 3.47Å; Y1097-G1105 PolarHBondContact N-O 2.9Å; Y1097-G1105 PolarHBondContact O-N 3.38Å
1098A96.8Very high91.4Very high1 Ų123 Ų231%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-120.7147.8170.800000110I412 C415 T1080 S1081 T1103I412-A1098 HydrophobicContact CD1-CB 4.1Å; I412-A1098 HydrophobicContact CG2-CB 3.92Å; C415-A1098 HydrophobicContact CB-CB 4.1Å; T1080-A1098 PolarHBondContact N-O 3.27Å; T1080-A1098 PolarHBondContact OG1-O 3.03Å; S1081-A1098 PolarHBondContact O-N 2.95Å; S1081-A1098 VanDerWaalsContact O-N 3.1Å; S1081-A1098 VanDerWaalsContact OG-CB 3.25Å; S1081-A1098 WeakPolarHBondContact OG-CB 3.44Å; A1098-T1103 CarbonylContact C-O 3.57Å; A1098-T1103 WeakPolarHBondContact CA-O 3.31Å
1099T96.9Very high92Very high0 Ų022.9 Ų22.90%016%0.156CC..EExtended strand (participates in β ladder)trans-118159.3-17678.60000112.1I412 V1075 E1077 C1078 Y1097 S1101 G1102 T1103I412-T1099 WeakPolarHBondContact CB-O 3.41Å; V1075-T1099 HydrophobicContact CG1-CG2 4.17Å; E1077-T1099 HydrophobicContact CB-CG2 4Å; E1077-T1099 WeakPolarHBondContact OE2-CB 3.34Å; E1077-T1099 PolarHBondContact OE2-OG1 3.09Å; C1078-T1099 CarbonylContact O-C 3.48Å; C1078-T1099 VanDerWaalsContact O-CA 3.31Å; C1078-T1099 WeakPolarHBondContact O-CA 3.46Å; Y1097-T1099 HydrophobicContact CD2-CG2 3.83Å; Y1097-T1099 HydrophobicContact CE2-CG2 3.71Å; T1099-S1101 PolarHBondContact O-N 2.96Å; T1099-S1101 PolarHBondContact OG1-N 3.29Å; T1099-G1102 PolarHBondContact O-N 2.78Å; T1099-G1102 VanDerWaalsContact O-N 3.09Å; T1099-T1103 PolarHBondContact N-O 3.13Å; T1099-T1103 WeakPolarHBondContact OG1-CB 3.46Å; T1099-T1103 PolarHBondContact OG1-N 2.93Å; T1099-T1103 VanDerWaalsContact OG1-N 3.09Å; T1099-T1103 PolarHBondContact OG1-OG1 3.5Å
1100I96Very high92.9Very high61 Ų6119.9 Ų19.931%0.31313%0.134SC..THydrogen-bonded Turntrans-59.9-25.9175.1-160.8168.3000113.1P411 C1078 T1080 G1102P411-I1100 VanDerWaalsContact CA-O 3.22Å; P411-I1100 WeakPolarHBondContact CA-O 3.36Å; P411-I1100 HydrophobicContact CB-CG1 3.74Å; C1078-I1100 HydrophobicContact CB-CB 4.25Å; C1078-I1100 HydrophobicContact CB-CG2 3.76Å; C1078-I1100 PolarHBondContact O-N 3.05Å; T1080-I1100 HydrophobicContact CG2-CB 4.26Å; I1100-G1102 PolarHBondContact O-N 3.1Å
1101S94.7Very high93.5Very high2 Ų219.5 Ų19.51%0.01412%0.119CC..THydrogen-bonded Turntrans-82.6-0.8179.7-46.80000113.3S12 A13 Y15 E1077 T1099S12-S1101 PolarHBondContact N-O 3.21Å; S12-S1101 PolarHBondContact OG-O 3.39Å; A13-S1101 PolarHBondContact N-O 3.07Å; Y15-S1101 PolarHBondContact OH-OG 3.31Å; E1077-S1101 VanDerWaalsContact OE1-CB 3.25Å; E1077-S1101 WeakPolarHBondContact OE1-CB 3.03Å; E1077-S1101 PolarHBondContact OE1-OG 3.14Å; E1077-S1101 WeakPolarHBondContact OE2-CB 3.47Å; T1099-S1101 PolarHBondContact O-N 2.96Å; T1099-S1101 PolarHBondContact OG1-N 3.29Å
1102G93.3Very high94.1Very high0 Ų020.3 Ų20.30%012%0.124CC..SBendtrans91.910.2-177.600000114.8T1099 I1100T1099-G1102 PolarHBondContact O-N 2.78Å; T1099-G1102 VanDerWaalsContact O-N 3.09Å; I1100-G1102 PolarHBondContact O-N 3.1Å
1103T95.1Very high94.4Very high0 Ų022 Ų220%013%0.125CC..  trans-77.3138.1176.5-52.50000109.8T7 Q9 P11 E1077 A1098 T1099T7-T1103 HydrophobicContact CG2-CG2 3.98Å; Q9-T1103 VanDerWaalsContact O-CA 3.3Å; Q9-T1103 WeakPolarHBondContact O-CA 3.46Å; Q9-T1103 WeakPolarHBondContact O-CG2 3.28Å; P11-T1103 VanDerWaalsContact CA-OG1 3.3Å; P11-T1103 WeakPolarHBondContact CA-OG1 3.05Å; P11-T1103 WeakPolarHBondContact CB-OG1 3.25Å; P11-T1103 WeakPolarHBondContact CD-OG1 3.5Å; E1077-T1103 VanDerWaalsContact OE2-CB 3.24Å; E1077-T1103 WeakPolarHBondContact OE2-CB 3.45Å; E1077-T1103 PolarHBondContact OE2-OG1 2.86Å; A1098-T1103 CarbonylContact C-O 3.57Å; A1098-T1103 WeakPolarHBondContact CA-O 3.31Å; T1099-T1103 PolarHBondContact N-O 3.13Å; T1099-T1103 WeakPolarHBondContact OG1-CB 3.46Å; T1099-T1103 PolarHBondContact OG1-N 2.93Å; T1099-T1103 VanDerWaalsContact OG1-N 3.09Å; T1099-T1103 PolarHBondContact OG1-OG1 3.5Å
1104I95.1Very high94.5Very high0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-120.1115.7167.9-56.7171.8000106.7L8 Q9 L409 I412 I428 L443 I1096 Y1097L8-I1104 WeakPolarHBondContact CA-O 3.3Å; L8-I1104 WeakPolarHBondContact CB-O 3.27Å; L8-I1104 HydrophobicContact CD1-CG2 4.26Å; L8-I1104 PolarHBondContact N-O 3.42Å; Q9-I1104 HydrophobicContact CB-CB 4Å; Q9-I1104 HydrophobicContact CB-CD1 4.33Å; Q9-I1104 HydrophobicContact CB-CG1 4.25Å; Q9-I1104 PolarHBondContact N-O 3.34Å; Q9-I1104 PolarHBondContact O-N 3.4Å; L409-I1104 HydrophobicContact CD1-CD1 4.3Å; I412-I1104 HydrophobicContact CD1-CG1 4.3Å; I428-I1104 HydrophobicContact CD1-CD1 4.24Å; I428-I1104 HydrophobicContact CD1-CG2 4.37Å; I428-I1104 HydrophobicContact CG2-CD1 4.25Å; L443-I1104 HydrophobicContact CD1-CD1 3.28Å; I1096-I1104 HydrophobicContact CG2-CG2 3.92Å; Y1097-I1104 WeakPolarHBondContact O-CA 3.36Å
1105G94.9Very high94.4Very high0 Ų026.6 Ų26.60%015%0.145CC..EExtended strand (participates in β ladder)trans-122.7164.7179.200000112.3L6 I1096 Y1097L6-G1105 CarbonylContact O-C 3.47Å; L6-G1105 VanDerWaalsContact O-CA 3.25Å; L6-G1105 WeakPolarHBondContact O-CA 3.38Å; I1096-G1105 WeakPolarHBondContact CA-O 3.39Å; I1096-G1105 WeakPolarHBondContact CG2-O 3.09Å; Y1097-G1105 WeakPolarHBondContact CD1-O 3.39Å; Y1097-G1105 VanDerWaalsContact CE1-C 3.47Å; Y1097-G1105 PolarHBondContact N-O 2.9Å; Y1097-G1105 PolarHBondContact O-N 3.38Å
1106A95Very high94.4Very high3 Ų328 Ų283%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-133145.5-179.400000110.9L6 L8 I1094 L1095 I1096L6-A1106 PolarHBondContact N-O 3.18Å; L6-A1106 PolarHBondContact O-N 3.31Å; L8-A1106 HydrophobicContact CD1-CB 4.31Å; L8-A1106 HydrophobicContact CG-CB 4.42Å; I1094-A1106 HydrophobicContact CD1-CB 3.99Å; L1095-A1106 CarbonylContact O-C 3.48Å; L1095-A1106 WeakPolarHBondContact O-CA 3.49Å; I1096-A1106 HydrophobicContact CG1-CB 4.4Å
1107L95.8Very high94.3Very high2 Ų232.3 Ų32.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-113.2111.8167.5-71.9168.4000108.5L3 Y4 H5 L1031 L1095 V1151L3-L1107 HydrophobicContact CB-CD2 4.19Å; L3-L1107 HydrophobicContact CD1-CB 4.25Å; L3-L1107 HydrophobicContact CD1-CD1 4.16Å; Y4-L1107 WeakPolarHBondContact O-CA 3.38Å; H5-L1107 HydrophobicContact CB-CD2 3.94Å; L1031-L1107 HydrophobicContact CD1-CD1 3.45Å; L1031-L1107 VanDerWaalsContact CD1-CD1 3.45Å; L1031-L1107 HydrophobicContact CD2-CD1 3.47Å; L1031-L1107 VanDerWaalsContact CD2-CD1 3.47Å; L1031-L1107 HydrophobicContact CG-CD1 4.09Å; L1095-L1107 HydrophobicContact CB-CB 4.25Å; L1095-L1107 HydrophobicContact CD2-CD1 4.13Å; L1095-L1107 PolarHBondContact N-O 3.1Å; L1095-L1107 VanDerWaalsContact N-O 3.07Å; L1095-L1107 PolarHBondContact O-N 2.9Å; L1107-V1151 HydrophobicContact CD2-CG1 3.83Å
1108A94Very high94.2Very high3 Ų333.4 Ų33.43%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-97.2133.7178.700000110.8L3 Y4 I1094 Y1193L3-A1108 CarbonylContact C-O 3.56Å; L3-A1108 WeakPolarHBondContact CA-O 3.33Å; Y4-A1108 PolarHBondContact N-O 3.33Å; Y4-A1108 PolarHBondContact O-N 3.18Å; I1094-A1108 HydrophobicContact CG2-CB 4.25Å; A1108-Y1193 HydrophobicContact CB-CD1 3.85Å; A1108-Y1193 HydrophobicContact CB-CD2 3.63Å; A1108-Y1193 HydrophobicContact CB-CE1 4.27Å; A1108-Y1193 HydrophobicContact CB-CE2 4.11Å; A1108-Y1193 HydrophobicContact CB-CG 3.5Å
1109P94.3Very high94.2Very high42 Ų4233.5 Ų33.527%0.27318%0.177SC..EExtended strand (participates in β ladder)trans-75.9134174.330.2-33000111.5L3 Y1193L3-P1109 HydrophobicContact CD2-CB 4.26Å; P1109-Y1193 HydrophobicContact CG-CE1 4.39Å; P1109-Y1193 VanDerWaalsContact O-CZ 3.23Å; P1109-Y1193 PolarHBondContact O-OH 2.81Å
1110F93.2Very high94.1Very high31 Ų3134.9 Ų34.914%0.13619%0.185CC..PPolyproline II helixtrans-65.1135.8172.3-77.2-75.9000111.6N2 L3 Y4 D1115 F1116 F1119 V1152 I1189N2-F1110 HydrophobicContact CB-CD2 3.9Å; N2-F1110 PolarHBondContact O-N 2.78Å; N2-F1110 VanDerWaalsContact O-N 3.08Å; L3-F1110 WeakPolarHBondContact O-CE2 3.44Å; Y4-F1110 HydrophobicContact CD2-CE1 4.36Å; Y4-F1110 HydrophobicContact CD2-CE2 4.43Å; Y4-F1110 AromaticContact CD2-CZ 3.69Å; Y4-F1110 HydrophobicContact CD2-CZ 3.69Å; Y4-F1110 HydrophobicContact CG-CZ 4.08Å; F1110-D1115 HydrophobicContact CD1-CB 3.99Å; F1110-D1115 HydrophobicContact CE1-CB 4.4Å; F1110-F1116 HydrophobicContact CB-CB 4.3Å; F1110-F1116 HydrophobicContact CD1-CB 4.34Å; F1110-F1116 HydrophobicContact CD2-CB 3.98Å; F1110-F1116 AromaticContact CD2-CD2 3.73Å; F1110-F1116 HydrophobicContact CD2-CD2 3.73Å; F1110-F1116 HydrophobicContact CD2-CG 4.32Å; F1110-F1116 HydrophobicContact CE2-CB 4.36Å; F1110-F1116 AromaticContact CE2-CD2 3.65Å; F1110-F1116 HydrophobicContact CE2-CD2 3.65Å; F1110-F1116 HydrophobicContact CG-CB 3.95Å; F1110-F1116 HydrophobicContact CZ-CD2 4.42Å; F1110-F1119 HydrophobicContact CE1-CB 4.17Å; F1110-F1119 AromaticContact CE1-CD2 3.58Å; F1110-F1119 HydrophobicContact CE1-CD2 3.58Å; F1110-F1119 HydrophobicContact CE1-CE2 4.36Å; F1110-F1119 HydrophobicContact CE1-CG 4.1Å; F1110-F1119 HydrophobicContact CZ-CB 3.93Å; F1110-F1119 HydrophobicContact CZ-CD2 4.2Å; F1110-F1119 HydrophobicContact CZ-CG 4.27Å; F1110-V1152 HydrophobicContact CE2-CB 4.33Å; F1110-V1152 HydrophobicContact CE2-CG2 4.05Å; F1110-V1152 HydrophobicContact CZ-CB 4.33Å; F1110-V1152 HydrophobicContact CZ-CG2 4.23Å; F1110-I1189 HydrophobicContact CD1-CD1 4.44Å; F1110-I1189 HydrophobicContact CE1-CD1 3.85Å
1111S88.8Confident94.2Very high78 Ų7836.7 Ų36.755%0.54519%0.192SC..SBendtrans-77.8-32.517651.60000113.3R1192S1111-R1192 PolarHBondContact OG-NH1 2.86Å
1112S92.2Very high94.2Very high40 Ų4036.7 Ų36.728%0.2819%0.192SC..  trans-131.7151.6-176800000110.6E1114 D1115 F1116S1112-E1114 VanDerWaalsContact C-N 3.32Å; S1112-D1115 WeakPolarHBondContact OG-CB 3.38Å; S1112-D1115 PolarHBondContact OG-N 3.42Å; S1112-D1115 PolarHBondContact OG-OD2 3.08Å; S1112-F1116 PolarHBondContact O-N 3.38Å
1113Q92.9Very high94.4Very high101 Ų10137.1 Ų37.147%0.47219%0.194SC..Hα-helixtrans-69.1-33.4174-179.462.723.400111.4N2 D1115 F1116 E1117N2-Q1113 PolarHBondContact ND2-OE1 2.86Å; Q1113-D1115 PolarHBondContact O-N 3.09Å; Q1113-F1116 WeakPolarHBondContact O-CB 3.39Å; Q1113-F1116 PolarHBondContact O-N 3.33Å; Q1113-E1117 WeakPolarHBondContact CG-OE1 3.48Å; Q1113-E1117 PolarHBondContact NE2-OE1 3.3Å; Q1113-E1117 WeakPolarHBondContact O-CG 3.35Å; Q1113-E1117 PolarHBondContact O-N 3.27Å
1114E93.3Very high94.4Very high151 Ų15142 Ų4271%0.70622%0.218SC*.Hα-helixtrans-62.2-41.7177.2-64.3177.2-172.100112.2S1112 E1117 L1118S1112-E1114 VanDerWaalsContact C-N 3.32Å; E1114-E1117 PolarHBondContact O-N 3.08Å; E1114-L1118 WeakPolarHBondContact O-CB 3.08Å; E1114-L1118 PolarHBondContact O-N 3.47Å
1115D92.4Very high94.5Very high29 Ų2943.8 Ų43.816%0.15523%0.226CC..Hα-helixtrans-65.2-45.3175.4-66.7-41.8000110.2F1110 S1112 Q1113 E1117 L1118 F1119 K1185F1110-D1115 HydrophobicContact CD1-CB 3.99Å; F1110-D1115 HydrophobicContact CE1-CB 4.4Å; S1112-D1115 WeakPolarHBondContact OG-CB 3.38Å; S1112-D1115 PolarHBondContact OG-N 3.42Å; S1112-D1115 PolarHBondContact OG-OD2 3.08Å; Q1113-D1115 PolarHBondContact O-N 3.09Å; D1115-E1117 VanDerWaalsContact C-N 3.31Å; D1115-E1117 PolarHBondContact O-N 2.96Å; D1115-L1118 PolarHBondContact O-N 3.08Å; D1115-F1119 HydrophobicContact CB-CD2 4.38Å; D1115-F1119 HydrophobicContact CB-CE2 4.47Å; D1115-F1119 WeakPolarHBondContact O-CD2 3.29Å; D1115-F1119 PolarHBondContact O-N 2.8Å; D1115-K1185 IonicContact OD1-NZ 3.51Å; D1115-K1185 PolarHBondContact OD1-NZ 3.43Å
1116F94.3Very high94.5Very high37 Ų3743.8 Ų43.816%0.16223%0.226CC..Hα-helixtrans-56.6-45.5177170.5-107.5000112.3N2 F1110 S1112 Q1113 T1120 V1152N2-F1116 HydrophobicContact CB-CB 4.44Å; N2-F1116 HydrophobicContact CB-CD1 4.48Å; N2-F1116 HydrophobicContact CB-CD2 3.47Å; N2-F1116 VanDerWaalsContact CB-CD2 3.47Å; N2-F1116 HydrophobicContact CB-CE2 3.72Å; N2-F1116 HydrophobicContact CB-CG 3.87Å; N2-F1116 HydrophobicContact CB-CZ 4.34Å; N2-F1116 VanDerWaalsContact ND2-CD1 3.32Å; N2-F1116 WeakPolarHBondContact ND2-CD1 3.49Å; N2-F1116 WeakPolarHBondContact ND2-CG 3.13Å; F1110-F1116 HydrophobicContact CB-CB 4.3Å; F1110-F1116 HydrophobicContact CD1-CB 4.34Å; F1110-F1116 HydrophobicContact CD2-CB 3.98Å; F1110-F1116 AromaticContact CD2-CD2 3.73Å; F1110-F1116 HydrophobicContact CD2-CD2 3.73Å; F1110-F1116 HydrophobicContact CD2-CG 4.32Å; F1110-F1116 HydrophobicContact CE2-CB 4.36Å; F1110-F1116 AromaticContact CE2-CD2 3.65Å; F1110-F1116 HydrophobicContact CE2-CD2 3.65Å; F1110-F1116 HydrophobicContact CG-CB 3.95Å; F1110-F1116 HydrophobicContact CZ-CD2 4.42Å; S1112-F1116 PolarHBondContact O-N 3.38Å; Q1113-F1116 WeakPolarHBondContact O-CB 3.39Å; Q1113-F1116 PolarHBondContact O-N 3.33Å; F1116-T1120 VanDerWaalsContact O-CB 3.28Å; F1116-T1120 WeakPolarHBondContact O-CB 3.34Å; F1116-T1120 PolarHBondContact O-N 3.14Å; F1116-T1120 PolarHBondContact O-OG1 3.4Å; F1116-V1152 HydrophobicContact CD2-CG2 4Å; F1116-V1152 HydrophobicContact CE2-CG2 3.8Å
1117E95.2Very high94.5Very high96 Ų9646.2 Ų46.245%0.44924%0.235SC..Hα-helixtrans-61.7-51.1176.5-74.9169.5-166.100110.6Q1113 E1114 D1115 F1119 T1120 H1121Q1113-E1117 WeakPolarHBondContact CG-OE1 3.48Å; Q1113-E1117 PolarHBondContact NE2-OE1 3.3Å; Q1113-E1117 WeakPolarHBondContact O-CG 3.35Å; Q1113-E1117 PolarHBondContact O-N 3.27Å; E1114-E1117 PolarHBondContact O-N 3.08Å; D1115-E1117 VanDerWaalsContact C-N 3.31Å; D1115-E1117 PolarHBondContact O-N 2.96Å; E1117-F1119 PolarHBondContact O-N 3.36Å; E1117-T1120 WeakPolarHBondContact O-CB 3.48Å; E1117-T1120 PolarHBondContact O-N 2.92Å; E1117-T1120 VanDerWaalsContact O-N 3.11Å; E1117-H1121 PolarHBondContact O-CD2 3.16Å; E1117-H1121 PolarHBondContact O-N 2.89Å
1118L94.7Very high94.4Very high25 Ų2549.9 Ų49.913%0.13126%0.26CS..Hα-helixtrans-54.1-49.5178.417970.3000112.6E1114 D1115 T1120 H1121 L1122 L1175 K1185E1114-L1118 WeakPolarHBondContact O-CB 3.08Å; E1114-L1118 PolarHBondContact O-N 3.47Å; D1115-L1118 PolarHBondContact O-N 3.08Å; L1118-T1120 VanDerWaalsContact C-N 3.32Å; L1118-T1120 PolarHBondContact O-N 3Å; L1118-H1121 PolarHBondContact O-N 2.84Å; L1118-L1122 WeakPolarHBondContact O-CB 3.22Å; L1118-L1122 PolarHBondContact O-N 3.18Å; L1118-L1175 HydrophobicContact CD1-CB 4.3Å; L1118-L1175 HydrophobicContact CD1-CD1 4.33Å; L1118-L1175 HydrophobicContact CD1-CD2 4.22Å; L1118-K1185 HydrophobicContact CD2-CD 3.22Å
1119F96Very high94.3Very high3 Ų351.8 Ų51.81%0.01327%0.268CS..Hα-helixtrans-69.7-31.2-179.5-78.1-75000112.4Y4 F1110 D1115 E1117 L1122 E1123 V1152 K1185 L1186 I1189Y4-F1119 AromaticContact CE2-CD1 3.94Å; Y4-F1119 HydrophobicContact CE2-CD1 3.94Å; Y4-F1119 HydrophobicContact CE2-CE1 4.42Å; Y4-F1119 HydrophobicContact CE2-CG 4.34Å; F1110-F1119 HydrophobicContact CE1-CB 4.17Å; F1110-F1119 AromaticContact CE1-CD2 3.58Å; F1110-F1119 HydrophobicContact CE1-CD2 3.58Å; F1110-F1119 HydrophobicContact CE1-CE2 4.36Å; F1110-F1119 HydrophobicContact CE1-CG 4.1Å; F1110-F1119 HydrophobicContact CZ-CB 3.93Å; F1110-F1119 HydrophobicContact CZ-CD2 4.2Å; F1110-F1119 HydrophobicContact CZ-CG 4.27Å; D1115-F1119 HydrophobicContact CB-CD2 4.38Å; D1115-F1119 HydrophobicContact CB-CE2 4.47Å; D1115-F1119 WeakPolarHBondContact O-CD2 3.29Å; D1115-F1119 PolarHBondContact O-N 2.8Å; E1117-F1119 PolarHBondContact O-N 3.36Å; F1119-L1122 HydrophobicContact CD1-CD2 4.24Å; F1119-L1122 HydrophobicContact CE1-CD2 4.46Å; F1119-E1123 WeakPolarHBondContact O-CB 3.22Å; F1119-E1123 PolarHBondContact O-N 3.02Å; F1119-V1152 HydrophobicContact CB-CG1 4.08Å; F1119-K1185 HydrophobicContact CZ-CB 4.07Å; F1119-L1186 HydrophobicContact CD1-CD2 4.26Å; F1119-L1186 HydrophobicContact CE1-CD2 3.58Å; F1119-L1186 HydrophobicContact CE1-CG 4.08Å; F1119-I1189 HydrophobicContact CD2-CD1 3.68Å; F1119-I1189 HydrophobicContact CE1-CD1 4.11Å; F1119-I1189 HydrophobicContact CE2-CD1 3.13Å; F1119-I1189 HydrophobicContact CE2-CG1 4.01Å; F1119-I1189 HydrophobicContact CG-CD1 4.4Å; F1119-I1189 HydrophobicContact CZ-CD1 3.35Å; F1119-I1189 HydrophobicContact CZ-CG1 3.97Å
1120T95.9Very high94.1Very high28 Ų2852.8 Ų52.817%0.17227%0.269CS..Hα-helixtrans-65.5-43.8172.5-59.70000111F1116 E1117 L1118 E1123 M1124 V1152F1116-T1120 VanDerWaalsContact O-CB 3.28Å; F1116-T1120 WeakPolarHBondContact O-CB 3.34Å; F1116-T1120 PolarHBondContact O-N 3.14Å; F1116-T1120 PolarHBondContact O-OG1 3.4Å; E1117-T1120 WeakPolarHBondContact O-CB 3.48Å; E1117-T1120 PolarHBondContact O-N 2.92Å; E1117-T1120 VanDerWaalsContact O-N 3.11Å; L1118-T1120 VanDerWaalsContact C-N 3.32Å; L1118-T1120 PolarHBondContact O-N 3Å; T1120-E1123 PolarHBondContact O-N 3.36Å; T1120-M1124 HydrophobicContact CG2-CE 3.9Å; T1120-M1124 WeakPolarHBondContact O-CG 3.23Å; T1120-M1124 PolarHBondContact O-N 2.78Å; T1120-V1152 WeakPolarHBondContact OG1-CG2 3.43Å
1121H96.2Very high94.1Very high99 Ų9954 Ų5446%0.45828%0.28SS..Hα-helixtrans-64-45.5175.2-79.3-84.4000111.3E1117 L1118 E1123 M1124 H1125 L1175E1117-H1121 PolarHBondContact O-CD2 3.16Å; E1117-H1121 PolarHBondContact O-N 2.89Å; L1118-H1121 PolarHBondContact O-N 2.84Å; H1121-E1123 VanDerWaalsContact C-N 3.32Å; H1121-E1123 PolarHBondContact O-N 3.01Å; H1121-M1124 WeakPolarHBondContact O-CB 3.22Å; H1121-M1124 PolarHBondContact O-N 3.25Å; H1121-M1124 VanDerWaalsContact O-N 3.09Å; H1121-H1125 PolarHBondContact O-CD2 2.86Å; H1121-H1125 PolarHBondContact O-N 2.99Å; H1121-L1175 HydrophobicContact CB-CD2 3.64Å
1122L96.2Very high94.4Very high3 Ų350.7 Ų50.72%0.01626%0.256CS..Hα-helixtrans-56.5-46174.9-179.862.8000111.5L1118 F1119 M1124 H1125 M1126 C1157 F1160 I1171 L1175 V1182 L1186L1118-L1122 WeakPolarHBondContact O-CB 3.22Å; L1118-L1122 PolarHBondContact O-N 3.18Å; F1119-L1122 HydrophobicContact CD1-CD2 4.24Å; F1119-L1122 HydrophobicContact CE1-CD2 4.46Å; L1122-M1124 VanDerWaalsContact C-N 3.3Å; L1122-M1124 PolarHBondContact O-N 3.21Å; L1122-H1125 PolarHBondContact O-N 3.45Å; L1122-M1126 HydrophobicContact CD1-CG 4.29Å; L1122-M1126 HydrophobicContact CG-CG 4.41Å; L1122-M1126 WeakPolarHBondContact O-CG 3.26Å; L1122-M1126 PolarHBondContact O-N 3.5Å; L1122-C1157 HydrophobicContact CD2-CB 4Å; L1122-C1157 HydrophobicContact CG-CB 4.5Å; L1122-F1160 HydrophobicContact CD1-CD2 4Å; L1122-I1171 HydrophobicContact CD1-CG2 3.98Å; L1122-L1175 HydrophobicContact CB-CD1 4.26Å; L1122-L1175 HydrophobicContact CD1-CD1 4.01Å; L1122-V1182 HydrophobicContact CD1-CG1 4.15Å; L1122-V1182 HydrophobicContact CD2-CG1 4.04Å; L1122-L1186 HydrophobicContact CD2-CD1 4.32Å; L1122-L1186 HydrophobicContact CD2-CD2 4.15Å; L1122-L1186 HydrophobicContact CD2-CG 4.4Å
1123E96.5Very high94.5Very high9 Ų949.9 Ų49.94%0.04225%0.249CC..Hα-helixtrans-58.5-41.7176.2-168-168.9-155.100111.5F1119 T1120 H1121 M1126 R1127 H1138 V1152 D1153 L1156F1119-E1123 WeakPolarHBondContact O-CB 3.22Å; F1119-E1123 PolarHBondContact O-N 3.02Å; T1120-E1123 PolarHBondContact O-N 3.36Å; H1121-E1123 VanDerWaalsContact C-N 3.32Å; H1121-E1123 PolarHBondContact O-N 3.01Å; E1123-M1126 PolarHBondContact O-N 2.95Å; E1123-R1127 VanDerWaalsContact CD-CZ 3.46Å; E1123-R1127 VanDerWaalsContact O-CG 3.23Å; E1123-R1127 WeakPolarHBondContact O-CG 3.4Å; E1123-R1127 PolarHBondContact O-N 2.87Å; E1123-R1127 IonicContact OE1-CZ 3.7Å; E1123-R1127 IonicContact OE1-NH2 3.8Å; E1123-R1127 PolarHBondContact OE1-NH2 3.07Å; E1123-R1127 IonicContact OE2-CZ 3.84Å; E1123-R1127 IonicContact OE2-NH1 2.78Å; E1123-R1127 IonicContact OE2-NH2 3.5Å; E1123-R1127 PolarHBondContact OE2-NH2 3.33Å; E1123-H1138 IonicContact OE1-CE1 2.81Å; E1123-H1138 PolarHBondContact OE1-CE1 2.83Å; E1123-V1152 HydrophobicContact CB-CG1 4.09Å; E1123-V1152 HydrophobicContact CG-CG1 4.4Å; E1123-D1153 WeakPolarHBondContact OE1-CB 3.48Å; E1123-D1153 PolarHBondContact OE1-N 2.8Å; E1123-D1153 VanDerWaalsContact OE1-N 3.07Å; E1123-L1156 HydrophobicContact CG-CD2 4Å
1124M95.9Very high94.5Very high103 Ų10345 Ų4551%0.50723%0.226SC..Hα-helixtrans-61.8-43.6176-70.1178.9-177.200112.7T1120 H1121 L1122 R1127T1120-M1124 HydrophobicContact CG2-CE 3.9Å; T1120-M1124 WeakPolarHBondContact O-CG 3.23Å; T1120-M1124 PolarHBondContact O-N 2.78Å; H1121-M1124 WeakPolarHBondContact O-CB 3.22Å; H1121-M1124 PolarHBondContact O-N 3.25Å; H1121-M1124 VanDerWaalsContact O-N 3.09Å; L1122-M1124 VanDerWaalsContact C-N 3.3Å; L1122-M1124 PolarHBondContact O-N 3.21Å; M1124-R1127 PolarHBondContact O-N 2.89Å
1125H96Very high94.4Very high36 Ų3638 Ų3817%0.16720%0.195CC..Hα-helixtrans-66.6-41.7175.4-73.7-80.3000111.7H1121 L1122 R1127 S1128 H1129 I1171 D1174H1121-H1125 PolarHBondContact O-CD2 2.86Å; H1121-H1125 PolarHBondContact O-N 2.99Å; L1122-H1125 PolarHBondContact O-N 3.45Å; H1125-R1127 VanDerWaalsContact C-N 3.29Å; H1125-R1127 PolarHBondContact O-N 2.87Å; H1125-S1128 PolarHBondContact O-N 2.87Å; H1125-S1128 VanDerWaalsContact O-N 3.14Å; H1125-S1128 PolarHBondContact O-OG 3.09Å; H1125-H1129 PolarHBondContact O-CD2 3.31Å; H1125-H1129 VanDerWaalsContact O-CD2 3.25Å; H1125-H1129 PolarHBondContact O-N 3.05Å; H1125-I1171 HydrophobicContact CB-CD1 4.33Å; H1125-I1171 HydrophobicContact CB-CG1 4.15Å; H1125-I1171 HydrophobicContact CB-CG2 3.9Å; H1125-D1174 IonicContact CE1-OD2 2.62Å; H1125-D1174 PolarHBondContact CE1-OD2 2.94Å; H1125-D1174 VanDerWaalsContact CE1-OD2 3.27Å; H1125-D1174 IonicContact ND1-OD2 2.69Å
1126M95.6Very high94.6Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-62.2-37.9178.4-70.4-54.9-62.900112L1122 E1123 S1128 F1130 L1156 Q1159 F1160 L1163 I1171L1122-M1126 HydrophobicContact CD1-CG 4.29Å; L1122-M1126 HydrophobicContact CG-CG 4.41Å; L1122-M1126 WeakPolarHBondContact O-CG 3.26Å; L1122-M1126 PolarHBondContact O-N 3.5Å; E1123-M1126 PolarHBondContact O-N 2.95Å; M1126-S1128 VanDerWaalsContact C-N 3.27Å; M1126-S1128 PolarHBondContact O-N 3.27Å; M1126-F1130 HydrophobicContact CE-CB 3.86Å; M1126-F1130 HydrophobicContact CE-CG 4.41Å; M1126-F1130 CarbonylContact O-C 3.58Å; M1126-F1130 VanDerWaalsContact O-C 3.31Å; M1126-F1130 WeakPolarHBondContact O-CA 3.4Å; M1126-F1130 PolarHBondContact O-N 3.36Å; M1126-L1156 HydrophobicContact CB-CD1 4.22Å; M1126-L1156 HydrophobicContact CB-CD2 3.98Å; M1126-L1156 HydrophobicContact CB-CG 3.79Å; M1126-Q1159 HydrophobicContact CE-CB 3.99Å; M1126-F1160 HydrophobicContact CE-CB 4.47Å; M1126-F1160 HydrophobicContact SD-CB 4.06Å; M1126-F1160 HydrophobicContact SD-CD2 4.08Å; M1126-L1163 HydrophobicContact CE-CD1 3.94Å; M1126-L1163 HydrophobicContact CE-CG 4.23Å; M1126-L1163 HydrophobicContact SD-CD1 3.63Å; M1126-I1171 HydrophobicContact SD-CD1 4.25Å
1127R95.1Very high94.7Very high55 Ų5539.6 Ų39.621%0.20820%0.203CC..Hα-helixtrans-59.1-34.3175.2-71.9170.3-179.4154.84.3113.4E1123 M1124 H1125 H1138 L1156E1123-R1127 VanDerWaalsContact CD-CZ 3.46Å; E1123-R1127 VanDerWaalsContact O-CG 3.23Å; E1123-R1127 WeakPolarHBondContact O-CG 3.4Å; E1123-R1127 PolarHBondContact O-N 2.87Å; E1123-R1127 IonicContact OE1-CZ 3.7Å; E1123-R1127 IonicContact OE1-NH2 3.8Å; E1123-R1127 PolarHBondContact OE1-NH2 3.07Å; E1123-R1127 IonicContact OE2-CZ 3.84Å; E1123-R1127 IonicContact OE2-NH1 2.78Å; E1123-R1127 IonicContact OE2-NH2 3.5Å; E1123-R1127 PolarHBondContact OE2-NH2 3.33Å; M1124-R1127 PolarHBondContact O-N 2.89Å; H1125-R1127 VanDerWaalsContact C-N 3.29Å; H1125-R1127 PolarHBondContact O-N 2.87Å; R1127-H1138 HydrophobicContact CG-CB 4.08Å; R1127-H1138 PolarHBondContact NE-ND1 3.36Å; R1127-L1156 HydrophobicContact CG-CD2 3.7Å
1128S92.8Very high94.8Very high79 Ų7935.1 Ų35.155%0.55218%0.183SC*.Hα-helixtrans-87.6-45.9-179.659.20000112.9H1125 M1126H1125-S1128 PolarHBondContact O-N 2.87Å; H1125-S1128 VanDerWaalsContact O-N 3.14Å; H1125-S1128 PolarHBondContact O-OG 3.09Å; M1126-S1128 VanDerWaalsContact C-N 3.27Å; M1126-S1128 PolarHBondContact O-N 3.27Å
1129H92.2Very high94.8Very high42 Ų4237.7 Ų37.719%0.19420%0.196CC..Hα-helixtrans-83.3-23.6-173.5-68.7-88.3000113.7H1125 K1167 E1170 I1171H1125-H1129 PolarHBondContact O-CD2 3.31Å; H1125-H1129 VanDerWaalsContact O-CD2 3.25Å; H1125-H1129 PolarHBondContact O-N 3.05Å; H1129-K1167 PolarHBondContact O-NZ 2.79Å; H1129-E1170 IonicContact CE1-OE1 3.27Å; H1129-E1170 IonicContact CE1-OE2 2.86Å; H1129-I1171 HydrophobicContact CB-CD1 4.08Å
1130F91.4Very high94.8Very high64 Ų6439.5 Ų39.528%0.28121%0.209SC..SBendtrans-135.367.3178.8-154.8-106.2000111.7M1126 Q1159 L1163M1126-F1130 HydrophobicContact CE-CB 3.86Å; M1126-F1130 HydrophobicContact CE-CG 4.41Å; M1126-F1130 CarbonylContact O-C 3.58Å; M1126-F1130 VanDerWaalsContact O-C 3.31Å; M1126-F1130 WeakPolarHBondContact O-CA 3.4Å; M1126-F1130 PolarHBondContact O-N 3.36Å; F1130-Q1159 HydrophobicContact CD1-CB 4.34Å; F1130-Q1159 VanDerWaalsContact CD1-OE1 3.24Å; F1130-Q1159 HydrophobicContact CE1-CB 4.41Å; F1130-Q1159 VanDerWaalsContact CE1-OE1 3.29Å; F1130-L1163 HydrophobicContact CB-CD2 3.95Å; F1130-L1163 HydrophobicContact CD2-CD2 3.5Å; F1130-L1163 HydrophobicContact CE2-CD2 4.33Å; F1130-L1163 HydrophobicContact CG-CD2 4.03Å
1131P93.2Very high94.9Very high57 Ų5738.2 Ų38.237%0.3720%0.201SC..  trans-65.3150.6-178.128.6-35.8000111.3
1132P94.8Very high94.9Very high8 Ų833.6 Ų33.65%0.05218%0.18CC..  trans-54.7141.1-177.9-27.135000114.1V58 F59 R101 C1134 G1135 R1136 H1138V58-P1132 VanDerWaalsContact O-CB 3.3Å; V58-P1132 WeakPolarHBondContact O-CB 3.49Å; F59-P1132 HydrophobicContact CB-CB 4.05Å; F59-P1132 HydrophobicContact CB-CG 3.95Å; F59-P1132 HydrophobicContact CD2-CB 4.17Å; F59-P1132 HydrophobicContact CD2-CG 4Å; F59-P1132 HydrophobicContact CG-CG 4.43Å; R101-P1132 PolarHBondContact NH1-O 2.84Å; P1132-C1134 VanDerWaalsContact C-N 3.35Å; P1132-C1134 PolarHBondContact O-N 2.84Å; P1132-G1135 PolarHBondContact O-N 3.49Å; P1132-R1136 WeakPolarHBondContact CB-O 3.45Å; P1132-R1136 WeakPolarHBondContact CD-O 3.41Å; P1132-R1136 WeakPolarHBondContact CG-O 3.43Å; P1132-H1138 HydrophobicContact CG-CB 3.96Å
1133L93.5Very high94.9Very high22 Ų2235 Ų3512%0.11519%0.189CC..THydrogen-bonded Turntrans-59.8-40.6-168.7-171.663.1000113.3L38 I56 V58 L90 L99 R101 G1135L38-L1133 HydrophobicContact CD2-CD2 4.29Å; I56-L1133 HydrophobicContact CG2-CD2 4.4Å; V58-L1133 HydrophobicContact CG1-CB 4.21Å; V58-L1133 HydrophobicContact CG1-CD2 4.31Å; L90-L1133 HydrophobicContact CD1-CD2 3.76Å; L90-L1133 HydrophobicContact CD1-CG 4.01Å; L90-L1133 HydrophobicContact CD2-CD1 3.83Å; L90-L1133 HydrophobicContact CD2-CD2 4.44Å; L90-L1133 HydrophobicContact CD2-CG 3.87Å; L99-L1133 HydrophobicContact CB-CD2 3.99Å; L99-L1133 HydrophobicContact CD1-CD2 4.12Å; R101-L1133 HydrophobicContact CB-CD1 4.27Å; R101-L1133 WeakPolarHBondContact CD-O 3.34Å; L1133-G1135 PolarHBondContact O-N 2.9Å
1134C93.1Very high94.9Very high0 Ų036.7 Ų36.70%020%0.197CC..THydrogen-bonded Turntrans-83.614.3-179.4-65.30000113.7V58 S82 S84 C88 P1132 R1136V58-C1134 HydrophobicContact CB-CB 4.32Å; S82-C1134 PolarHBondContact OG-O 2.87Å; S84-C1134 WeakPolarHBondContact CB-O 3.13Å; S84-C1134 PolarHBondContact OG-O 2.92Å; C88-C1134 PolarHBondContact SG-O 2.9Å; P1132-C1134 VanDerWaalsContact C-N 3.35Å; P1132-C1134 PolarHBondContact O-N 2.84Å; C1134-R1136 PolarHBondContact O-N 2.95Å
1135G92.1Very high94.8Very high4 Ų437.7 Ų37.74%0.04120%0.196CC..SBendtrans68.115.8179.200000113.5S84 R86 P1132 L1133S84-G1135 WeakPolarHBondContact CB-O 3.38Å; R86-G1135 WeakPolarHBondContact CD-O 3.05Å; R86-G1135 PolarHBondContact NH1-O 3.22Å; P1132-G1135 PolarHBondContact O-N 3.49Å; L1133-G1135 PolarHBondContact O-N 2.9Å
1136R95.8Very high94.6Very high12 Ų1236.8 Ų36.85%0.04520%0.196CC..  trans-74.5141.6171.1-167.664.9173.894.23.5109F59 D83 S110 P1132 C1134 S1140F59-R1136 WeakPolarHBondContact O-CB 3.39Å; F59-R1136 VanDerWaalsContact O-CG 3.32Å; F59-R1136 WeakPolarHBondContact O-CG 3.37Å; D83-R1136 IonicContact OD1-NE 3.59Å; D83-R1136 WeakPolarHBondContact OD2-CD 3.08Å; D83-R1136 IonicContact OD2-CZ 2.87Å; D83-R1136 IonicContact OD2-NE 3.65Å; D83-R1136 PolarHBondContact OD2-NE 2.48Å; D83-R1136 IonicContact OD2-NH2 3.66Å; S110-R1136 PolarHBondContact OG-NH1 3.34Å; P1132-R1136 WeakPolarHBondContact CB-O 3.45Å; P1132-R1136 WeakPolarHBondContact CD-O 3.41Å; P1132-R1136 WeakPolarHBondContact CG-O 3.43Å; C1134-R1136 PolarHBondContact O-N 2.95Å; R1136-S1140 VanDerWaalsContact NH1-CB 3.25Å; R1136-S1140 PolarHBondContact NH1-OG 3.14Å; R1136-S1140 PolarHBondContact NH2-O 3.12Å; R1136-S1140 VanDerWaalsContact NH2-O 3.08Å; R1136-S1140 PolarHBondContact NH2-OG 2.63Å
1137D96Very high94.6Very high86 Ų8641.5 Ų41.546%0.4623%0.227SC..  trans-76.6123.8167.8176.677.3000109.5L1139 S1140 Y1141D1137-L1139 PolarHBondContact O-N 2.88Å; D1137-L1139 PolarHBondContact OD2-N 2.98Å; D1137-S1140 PolarHBondContact O-N 3.41Å; D1137-S1140 VanDerWaalsContact OD2-CB 3.22Å; D1137-S1140 WeakPolarHBondContact OD2-CB 3.25Å; D1137-S1140 PolarHBondContact OD2-N 2.9Å; D1137-Y1141 WeakPolarHBondContact O-CB 3.42Å; D1137-Y1141 PolarHBondContact O-N 2.88Å
1138H96.9Very high94.7Very high2 Ų240.5 Ų40.51%0.00923%0.227CC..Hα-helixtrans-59.8-47.6-174172.4-89.9000112.5F59 E1123 R1127 P1132 S1140 Y1141 R1142 D1153F59-H1138 AromaticContact CD1-CD2 3.94Å; F59-H1138 AromaticContact CG-CD2 3.84Å; E1123-H1138 IonicContact OE1-CE1 2.81Å; E1123-H1138 PolarHBondContact OE1-CE1 2.83Å; R1127-H1138 HydrophobicContact CG-CB 4.08Å; R1127-H1138 PolarHBondContact NE-ND1 3.36Å; P1132-H1138 HydrophobicContact CG-CB 3.96Å; H1138-S1140 VanDerWaalsContact C-N 3.33Å; H1138-S1140 PolarHBondContact O-N 3.39Å; H1138-Y1141 WeakPolarHBondContact O-CB 3.43Å; H1138-Y1141 PolarHBondContact O-N 3.42Å; H1138-Y1141 VanDerWaalsContact O-N 3.13Å; H1138-R1142 PolarHBondContact O-N 2.72Å; H1138-D1153 IonicContact CD2-OD2 3.94Å; H1138-D1153 IonicContact CE1-OD2 3.63Å; H1138-D1153 IonicContact NE2-OD2 3.07Å; H1138-D1153 PolarHBondContact NE2-OD2 3.31Å
1139L96.3Very high94.8Very high79 Ų7941.7 Ų41.741%0.41422%0.222SC..Hα-helixtrans-63.8-41.7-179179.861.6000111D1137 Y1141 S1143D1137-L1139 PolarHBondContact O-N 2.88Å; D1137-L1139 PolarHBondContact OD2-N 2.98Å; L1139-Y1141 VanDerWaalsContact C-N 3.33Å; L1139-S1143 WeakPolarHBondContact O-CB 3.4Å; L1139-S1143 PolarHBondContact O-N 2.8Å; L1139-S1143 PolarHBondContact O-OG 2.84Å
1140S95.7Very high94.9Very high41 Ų4141 Ų4129%0.28722%0.223SC..Hα-helixtrans-70-26.6175.5-179.70000113.4R1136 D1137 H1138 S1143R1136-S1140 VanDerWaalsContact NH1-CB 3.25Å; R1136-S1140 PolarHBondContact NH1-OG 3.14Å; R1136-S1140 PolarHBondContact NH2-O 3.12Å; R1136-S1140 VanDerWaalsContact NH2-O 3.08Å; R1136-S1140 PolarHBondContact NH2-OG 2.63Å; D1137-S1140 PolarHBondContact O-N 3.41Å; D1137-S1140 VanDerWaalsContact OD2-CB 3.22Å; D1137-S1140 WeakPolarHBondContact OD2-CB 3.25Å; D1137-S1140 PolarHBondContact OD2-N 2.9Å; H1138-S1140 VanDerWaalsContact C-N 3.33Å; H1138-S1140 PolarHBondContact O-N 3.39Å; S1140-S1143 CarbonylContact O-C 3.56Å
1141Y96.6Very high95.2Very high1 Ų138.3 Ų38.30%0.00421%0.213CC..Hα-helixtrans-71.2-54.2171.9170.4-108.4000110.8F59 I61 F1074 V1075 D1137 H1138 L1139 S1143 F1144F59-Y1141 HydrophobicContact CB-CD1 4.03Å; F59-Y1141 HydrophobicContact CB-CE1 4.36Å; F59-Y1141 WeakPolarHBondContact O-CB 3.29Å; F59-Y1141 WeakPolarHBondContact O-CD1 3.38Å; F59-Y1141 WeakPolarHBondContact O-CD2 3.5Å; I61-Y1141 HydrophobicContact CG1-CE2 4.31Å; F1074-Y1141 HydrophobicContact CD1-CD2 4.2Å; F1074-Y1141 AromaticContact CD1-CE2 3.97Å; F1074-Y1141 HydrophobicContact CD1-CE2 3.97Å; F1074-Y1141 WeakPolarHBondContact CD1-O 3.37Å; F1074-Y1141 HydrophobicContact CE1-CD2 4.03Å; F1074-Y1141 AromaticContact CE1-CE2 3.6Å; F1074-Y1141 HydrophobicContact CE1-CE2 3.6Å; V1075-Y1141 PolarHBondContact O-OH 3.49Å; D1137-Y1141 WeakPolarHBondContact O-CB 3.42Å; D1137-Y1141 PolarHBondContact O-N 2.88Å; H1138-Y1141 WeakPolarHBondContact O-CB 3.43Å; H1138-Y1141 PolarHBondContact O-N 3.42Å; H1138-Y1141 VanDerWaalsContact O-N 3.13Å; L1139-Y1141 VanDerWaalsContact C-N 3.33Å; Y1141-S1143 PolarHBondContact O-N 2.84Å; Y1141-S1143 VanDerWaalsContact O-N 3.09Å; Y1141-F1144 WeakPolarHBondContact O-CB 3.44Å; Y1141-F1144 PolarHBondContact O-N 2.84Å; Y1141-F1144 VanDerWaalsContact O-N 3.08Å
1142R97.2Very high95.4Very high3 Ų335.7 Ų35.71%0.01120%0.195CC..Hα-helixtrans-63.5-19.3177.4-63.2-56.7-171.4-173.31.9112.5F1073 F1074 V1075 H1138 V1148 D1153F1073-R1142 HydrophobicContact CE2-CB 4.43Å; F1073-R1142 HydrophobicContact CE2-CG 4.06Å; F1073-R1142 HydrophobicContact CZ-CG 4.48Å; F1073-R1142 VanDerWaalsContact CZ-CZ 3.45Å; F1074-R1142 WeakPolarHBondContact CB-O 3.21Å; F1074-R1142 PolarHBondContact N-O 3.48Å; F1074-R1142 VanDerWaalsContact O-CD 3.26Å; F1074-R1142 WeakPolarHBondContact O-CD 3.34Å; F1074-R1142 PolarHBondContact O-NH1 2.83Å; V1075-R1142 PolarHBondContact O-NH1 2.84Å; H1138-R1142 PolarHBondContact O-N 2.72Å; R1142-V1148 HydrophobicContact CB-CG2 3.27Å; R1142-V1148 WeakPolarHBondContact O-CG2 3.38Å; R1142-D1153 IonicContact CZ-OD1 3.7Å; R1142-D1153 IonicContact CZ-OD2 3.09Å; R1142-D1153 IonicContact NE-OD2 3.85Å; R1142-D1153 PolarHBondContact NE-OD2 3.24Å; R1142-D1153 IonicContact NH2-OD1 2.78Å; R1142-D1153 PolarHBondContact NH2-OD1 2.68Å; R1142-D1153 IonicContact NH2-OD2 3.6Å; R1142-D1153 PolarHBondContact NH2-OD2 3Å
1143S96.6Very high95.5Very high31 Ų3135.3 Ų35.322%0.21719%0.193CC..THydrogen-bonded Turntrans-99.431.4174.2-54.90000114.6L1139 S1140 Y1141 Y1145 G1146 V1148L1139-S1143 WeakPolarHBondContact O-CB 3.4Å; L1139-S1143 PolarHBondContact O-N 2.8Å; L1139-S1143 PolarHBondContact O-OG 2.84Å; S1140-S1143 CarbonylContact O-C 3.56Å; Y1141-S1143 PolarHBondContact O-N 2.84Å; Y1141-S1143 VanDerWaalsContact O-N 3.09Å; S1143-Y1145 PolarHBondContact O-N 2.84Å; S1143-G1146 CarbonylContact C-O 3.58Å; S1143-G1146 WeakPolarHBondContact CA-O 3.38Å; S1143-G1146 WeakPolarHBondContact CB-O 3.43Å; S1143-V1148 WeakPolarHBondContact OG-CG2 3.36Å; S1143-V1148 PolarHBondContact OG-N 3.27Å; S1143-V1148 VanDerWaalsContact OG-N 3.08Å
1144F95.6Very high95.5Very high46 Ų4634.3 Ų34.320%0.20219%0.188CC..SBendtrans-57.7-49.9-167.9-159.6-79.9000114.2I61 D83 F1074 Y1141I61-F1144 HydrophobicContact CD1-CE2 4.15Å; I61-F1144 HydrophobicContact CD1-CZ 4.47Å; D83-F1144 WeakPolarHBondContact OD2-CE2 3.22Å; F1074-F1144 HydrophobicContact CB-CB 4.29Å; F1074-F1144 HydrophobicContact CD1-CB 3.59Å; F1074-F1144 HydrophobicContact CD1-CD2 4.4Å; F1074-F1144 HydrophobicContact CD1-CG 4.28Å; F1074-F1144 HydrophobicContact CD2-CB 3.91Å; F1074-F1144 HydrophobicContact CE1-CB 3.68Å; F1074-F1144 AromaticContact CE1-CD2 3.75Å; F1074-F1144 HydrophobicContact CE1-CD2 3.75Å; F1074-F1144 AromaticContact CE1-CG 3.85Å; F1074-F1144 HydrophobicContact CE1-CG 3.85Å; F1074-F1144 HydrophobicContact CE2-CB 4.01Å; F1074-F1144 HydrophobicContact CE2-CG 4.28Å; F1074-F1144 HydrophobicContact CG-CB 3.66Å; F1074-F1144 HydrophobicContact CZ-CB 3.87Å; F1074-F1144 HydrophobicContact CZ-CD1 4.34Å; F1074-F1144 HydrophobicContact CZ-CD2 4.01Å; F1074-F1144 AromaticContact CZ-CG 3.83Å; F1074-F1144 HydrophobicContact CZ-CG 3.83Å; Y1141-F1144 WeakPolarHBondContact O-CB 3.44Å; Y1141-F1144 PolarHBondContact O-N 2.84Å; Y1141-F1144 VanDerWaalsContact O-N 3.08Å
1145Y94.5Very high95.6Very high123 Ų12334.9 Ų34.948%0.48219%0.191SC..SBendtrans-107.1-25.2-179.3-66.8-79.5000113.5F1028 N1030 F1074 S1143F1028-Y1145 HydrophobicContact CB-CD2 4.24Å; F1028-Y1145 HydrophobicContact CB-CE2 3.63Å; F1028-Y1145 HydrophobicContact CD1-CE1 4.43Å; F1028-Y1145 AromaticContact CD1-CZ 3.9Å; F1028-Y1145 WeakPolarHBondContact CD1-OH 3.36Å; F1028-Y1145 HydrophobicContact CG-CE1 4.45Å; F1028-Y1145 HydrophobicContact CG-CE2 4.34Å; F1028-Y1145 AromaticContact CG-CZ 4Å; N1030-Y1145 WeakPolarHBondContact ND2-CD2 3.47Å; N1030-Y1145 VanDerWaalsContact OD1-CD2 3.31Å; N1030-Y1145 WeakPolarHBondContact OD1-CD2 3.41Å; F1074-Y1145 HydrophobicContact CD2-CD2 4.03Å; F1074-Y1145 HydrophobicContact CD2-CE2 4.3Å; F1074-Y1145 AromaticContact CE2-CD2 3.82Å; F1074-Y1145 HydrophobicContact CE2-CD2 3.82Å; F1074-Y1145 AromaticContact CE2-CE2 3.63Å; F1074-Y1145 HydrophobicContact CE2-CE2 3.63Å; F1074-Y1145 HydrophobicContact CZ-CE2 4.27Å; S1143-Y1145 PolarHBondContact O-N 2.84Å
1146G91.8Very high95.7Very high17 Ų1734.7 Ų34.718%0.17519%0.189CC..SBendtrans-149.5159.2176.100000109.8F1072 S1143F1072-G1146 WeakPolarHBondContact CD1-O 3.47Å; F1072-G1146 VanDerWaalsContact CE1-C 3.44Å; F1072-G1146 WeakPolarHBondContact CE1-O 3.46Å; S1143-G1146 CarbonylContact C-O 3.58Å; S1143-G1146 WeakPolarHBondContact CA-O 3.38Å; S1143-G1146 WeakPolarHBondContact CB-O 3.43Å
1147P95.9Very high95.7Very high99 Ų9934.1 Ų34.164%0.64319%0.186SC*.  trans-66.4137.2-179.427.5-33.8000111.4F1072 K1149F1072-P1147 WeakPolarHBondContact CD1-O 3.32Å; P1147-K1149 PolarHBondContact O-N 2.86Å
1148V95.8Very high95.4Very high34 Ų3431.5 Ų31.521%0.20617%0.171CC..  trans-54.8134.6170.6176.90000109.5F1072 R1142 S1143 V1151F1072-V1148 WeakPolarHBondContact O-CA 3.34Å; R1142-V1148 HydrophobicContact CB-CG2 3.27Å; R1142-V1148 WeakPolarHBondContact O-CG2 3.38Å; S1143-V1148 WeakPolarHBondContact OG-CG2 3.36Å; S1143-V1148 PolarHBondContact OG-N 3.27Å; S1143-V1148 VanDerWaalsContact OG-N 3.08Å; V1148-V1151 HydrophobicContact CG1-CB 4.5Å
1149K96.2Very high95.1Very high104 Ų10432.1 Ų32.145%0.45217%0.174SC..BIsolated β-bridgetrans-138.2125.1177.8-170.9177.3179.5177.40110.5L1069 I1070 A1071 F1072 P1147 V1151L1069-K1149 WeakPolarHBondContact O-CE 3.4Å; L1069-K1149 PolarHBondContact O-NZ 3.24Å; I1070-K1149 WeakPolarHBondContact O-CD 3.48Å; I1070-K1149 WeakPolarHBondContact O-CG 3.35Å; A1071-K1149 VanDerWaalsContact CA-O 3.25Å; A1071-K1149 WeakPolarHBondContact CA-O 3.46Å; F1072-K1149 HydrophobicContact CB-CB 4.4Å; F1072-K1149 PolarHBondContact N-O 2.93Å; F1072-K1149 VanDerWaalsContact N-O 3.15Å; F1072-K1149 PolarHBondContact O-N 3.08Å; P1147-K1149 PolarHBondContact O-N 2.86Å; K1149-V1151 WeakPolarHBondContact O-CG2 3.26Å; K1149-V1151 PolarHBondContact O-N 2.81Å; K1149-V1151 VanDerWaalsContact O-N 3.12Å
1150A94.9Very high94.9Very high27 Ų2728.3 Ų28.322%0.22316%0.155CC..SBendtrans55.425.5172.100000115.7M1 N2 L3M1-A1150 WeakPolarHBondContact O-CB 3.16Å; N2-A1150 WeakPolarHBondContact CA-O 3.17Å; L3-A1150 PolarHBondContact N-O 3.02Å
1151V96.9Very high94.4Very high9 Ų929 Ų296%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-125.7129174.2-172.90000109L3 H5 A1071 F1073 L1107 V1148 K1149L3-V1151 HydrophobicContact CB-CG1 4.49Å; L3-V1151 HydrophobicContact CB-CG2 4.21Å; L3-V1151 HydrophobicContact CD1-CG2 4.47Å; L3-V1151 CarbonylContact O-C 3.39Å; L3-V1151 WeakPolarHBondContact O-CA 3.4Å; H5-V1151 HydrophobicContact CB-CG1 4.02Å; A1071-V1151 HydrophobicContact CB-CG2 4.11Å; F1073-V1151 HydrophobicContact CB-CB 4.28Å; F1073-V1151 HydrophobicContact CB-CG1 4.27Å; F1073-V1151 HydrophobicContact CB-CG2 4.04Å; F1073-V1151 HydrophobicContact CD2-CB 3.87Å; F1073-V1151 HydrophobicContact CD2-CG1 3.52Å; F1073-V1151 HydrophobicContact CE2-CG1 3.96Å; F1073-V1151 HydrophobicContact CG-CB 4.38Å; F1073-V1151 HydrophobicContact CG-CG1 3.97Å; L1107-V1151 HydrophobicContact CD2-CG1 3.83Å; V1148-V1151 HydrophobicContact CG1-CB 4.5Å; K1149-V1151 WeakPolarHBondContact O-CG2 3.26Å; K1149-V1151 PolarHBondContact O-N 2.81Å; K1149-V1151 VanDerWaalsContact O-N 3.12Å
1152V97.1Very high93.8Very high2 Ų234.1 Ų34.11%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-99.4132.8170.4-1800000108.7L3 Y4 H5 F1110 F1116 F1119 T1120 E1123 G1154L3-V1152 PolarHBondContact O-N 3.43Å; Y4-V1152 HydrophobicContact CD2-CB 4.19Å; Y4-V1152 HydrophobicContact CD2-CG1 4.26Å; Y4-V1152 HydrophobicContact CE2-CG1 4.39Å; H5-V1152 PolarHBondContact N-O 3.3Å; F1110-V1152 HydrophobicContact CE2-CB 4.33Å; F1110-V1152 HydrophobicContact CE2-CG2 4.05Å; F1110-V1152 HydrophobicContact CZ-CB 4.33Å; F1110-V1152 HydrophobicContact CZ-CG2 4.23Å; F1116-V1152 HydrophobicContact CD2-CG2 4Å; F1116-V1152 HydrophobicContact CE2-CG2 3.8Å; F1119-V1152 HydrophobicContact CB-CG1 4.08Å; T1120-V1152 WeakPolarHBondContact OG1-CG2 3.43Å; E1123-V1152 HydrophobicContact CB-CG1 4.09Å; E1123-V1152 HydrophobicContact CG-CG1 4.4Å; V1152-G1154 PolarHBondContact O-N 3.45Å
1153D96.8Very high93.4Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-80.6100.2179.3-166.93.4000112.2H5 F1073 E1123 H1138 R1142 D1155 L1156 C1157H5-D1153 IonicContact ND1-OD1 3.33Å; H5-D1153 PolarHBondContact ND1-OD1 2.93Å; F1073-D1153 HydrophobicContact CE2-CB 4.32Å; E1123-D1153 WeakPolarHBondContact OE1-CB 3.48Å; E1123-D1153 PolarHBondContact OE1-N 2.8Å; E1123-D1153 VanDerWaalsContact OE1-N 3.07Å; H1138-D1153 IonicContact CD2-OD2 3.94Å; H1138-D1153 IonicContact CE1-OD2 3.63Å; H1138-D1153 IonicContact NE2-OD2 3.07Å; H1138-D1153 PolarHBondContact NE2-OD2 3.31Å; R1142-D1153 IonicContact CZ-OD1 3.7Å; R1142-D1153 IonicContact CZ-OD2 3.09Å; R1142-D1153 IonicContact NE-OD2 3.85Å; R1142-D1153 PolarHBondContact NE-OD2 3.24Å; R1142-D1153 IonicContact NH2-OD1 2.78Å; R1142-D1153 PolarHBondContact NH2-OD1 2.68Å; R1142-D1153 IonicContact NH2-OD2 3.6Å; R1142-D1153 PolarHBondContact NH2-OD2 3Å; D1153-D1155 VanDerWaalsContact C-N 3.31Å; D1153-D1155 PolarHBondContact O-N 3Å; D1153-D1155 PolarHBondContact OD1-N 3.43Å; D1153-L1156 HydrophobicContact CB-CB 4.4Å; D1153-L1156 PolarHBondContact O-N 3.15Å; D1153-C1157 PolarHBondContact O-N 3.33Å; D1153-C1157 PolarHBondContact O-SG 2.73Å; D1153-C1157 VanDerWaalsContact O-SG 3.39Å
1154G94.6Very high92.9Very high0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-68.4-27.9-179.500000114Y4 H5 V1152 L1156 C1157 E1158Y4-G1154 VanDerWaalsContact OH-CA 3.23Å; Y4-G1154 WeakPolarHBondContact OH-CA 3.27Å; H5-G1154 WeakPolarHBondContact O-CA 3.41Å; H5-G1154 PolarHBondContact O-N 3.42Å; V1152-G1154 PolarHBondContact O-N 3.45Å; G1154-L1156 VanDerWaalsContact C-N 3.3Å; G1154-L1156 PolarHBondContact O-N 3.33Å; G1154-C1157 CarbonylContact O-C 3.54Å; G1154-C1157 PolarHBondContact O-N 3.4Å; G1154-C1157 VanDerWaalsContact O-N 3.08Å; G1154-E1158 WeakPolarHBondContact O-CG 3.46Å; G1154-E1158 PolarHBondContact O-N 3.41Å
1155D93.6Very high92.5Very high12 Ų1241.2 Ų41.26%0.06422%0.221CC..Hα-helixtrans-67.5-34.5179.6-60.4-26.4000111.1H5 T7 E57 F59 D1153 Q1159H5-D1155 IonicContact CE1-OD2 2.74Å; H5-D1155 PolarHBondContact CE1-OD2 3.33Å; H5-D1155 IonicContact ND1-OD2 3.62Å; H5-D1155 PolarHBondContact ND1-OD2 3.44Å; T7-D1155 PolarHBondContact N-OD1 3.17Å; T7-D1155 PolarHBondContact OG1-OD2 2.82Å; E57-D1155 VanDerWaalsContact OE2-CB 3.26Å; E57-D1155 WeakPolarHBondContact OE2-CB 3.23Å; F59-D1155 HydrophobicContact CE1-CB 4.3Å; D1153-D1155 VanDerWaalsContact C-N 3.31Å; D1153-D1155 PolarHBondContact O-N 3Å; D1153-D1155 PolarHBondContact OD1-N 3.43Å; D1155-Q1159 WeakPolarHBondContact O-CG 3.2Å
1156L95.3Very high92.4Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-68.4-41.1169.8-178.968.7000111.4F59 E1123 M1126 R1127 D1153 G1154 Q1159F59-L1156 HydrophobicContact CD2-CD1 4.21Å; F59-L1156 HydrophobicContact CE1-CB 4.3Å; F59-L1156 HydrophobicContact CE2-CB 4.25Å; F59-L1156 HydrophobicContact CE2-CD1 3.52Å; F59-L1156 HydrophobicContact CE2-CG 4.48Å; F59-L1156 HydrophobicContact CZ-CB 3.79Å; F59-L1156 HydrophobicContact CZ-CD1 3.96Å; F59-L1156 HydrophobicContact CZ-CG 4.5Å; E1123-L1156 HydrophobicContact CG-CD2 4Å; M1126-L1156 HydrophobicContact CB-CD1 4.22Å; M1126-L1156 HydrophobicContact CB-CD2 3.98Å; M1126-L1156 HydrophobicContact CB-CG 3.79Å; R1127-L1156 HydrophobicContact CG-CD2 3.7Å; D1153-L1156 HydrophobicContact CB-CB 4.4Å; D1153-L1156 PolarHBondContact O-N 3.15Å; G1154-L1156 VanDerWaalsContact C-N 3.3Å; G1154-L1156 PolarHBondContact O-N 3.33Å; L1156-Q1159 WeakPolarHBondContact O-CB 3.37Å; L1156-Q1159 PolarHBondContact O-N 2.84Å
1157C94.7Very high92.4Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-67.2-36.1179.9-66.20000112.7L1122 D1153 G1154 Q1159 F1160 L1186L1122-C1157 HydrophobicContact CD2-CB 4Å; L1122-C1157 HydrophobicContact CG-CB 4.5Å; D1153-C1157 PolarHBondContact O-N 3.33Å; D1153-C1157 PolarHBondContact O-SG 2.73Å; D1153-C1157 VanDerWaalsContact O-SG 3.39Å; G1154-C1157 CarbonylContact O-C 3.54Å; G1154-C1157 PolarHBondContact O-N 3.4Å; G1154-C1157 VanDerWaalsContact O-N 3.08Å; C1157-Q1159 PolarHBondContact O-N 2.93Å; C1157-F1160 WeakPolarHBondContact O-CB 3.49Å; C1157-F1160 PolarHBondContact O-N 2.77Å; C1157-F1160 VanDerWaalsContact O-N 3.08Å; C1157-L1186 HydrophobicContact CB-CD2 3.71Å
1158E90.5Very high92.2Very high31 Ų3139.8 Ų39.815%0.14520%0.2CC..Hα-helixtrans-65-23.3176.6-72.6-155.5165.400112.6R707 G1154 F1160 S1161 R1190R707-E1158 IonicContact CZ-OE2 3.01Å; R707-E1158 IonicContact NH1-OE1 3.27Å; R707-E1158 IonicContact NH1-OE2 3.27Å; R707-E1158 PolarHBondContact NH1-OE2 3.03Å; R707-E1158 IonicContact NH2-OE1 2.78Å; R707-E1158 PolarHBondContact NH2-OE1 3.1Å; R707-E1158 IonicContact NH2-OE2 3.01Å; G1154-E1158 WeakPolarHBondContact O-CG 3.46Å; G1154-E1158 PolarHBondContact O-N 3.41Å; E1158-F1160 PolarHBondContact O-N 3Å; E1158-F1160 VanDerWaalsContact O-N 3.16Å; E1158-S1161 PolarHBondContact O-N 3.32Å; E1158-S1161 PolarHBondContact O-OG 2.82Å; E1158-R1190 WeakPolarHBondContact OE1-CD 3.46Å; E1158-R1190 IonicContact OE1-NE 3.25Å; E1158-R1190 PolarHBondContact OE1-NE 3.21Å
1159Q90Very high92.1Very high15 Ų1543.8 Ų43.87%0.0721%0.214CC..G310 helixtrans-67.9-6.9173-63.7179.3-0.700113.5M1126 F1130 D1155 L1156 C1157 S1161 L1162M1126-Q1159 HydrophobicContact CE-CB 3.99Å; F1130-Q1159 HydrophobicContact CD1-CB 4.34Å; F1130-Q1159 VanDerWaalsContact CD1-OE1 3.24Å; F1130-Q1159 HydrophobicContact CE1-CB 4.41Å; F1130-Q1159 VanDerWaalsContact CE1-OE1 3.29Å; D1155-Q1159 WeakPolarHBondContact O-CG 3.2Å; L1156-Q1159 WeakPolarHBondContact O-CB 3.37Å; L1156-Q1159 PolarHBondContact O-N 2.84Å; C1157-Q1159 PolarHBondContact O-N 2.93Å; Q1159-S1161 PolarHBondContact O-N 2.97Å; Q1159-L1162 HydrophobicContact CB-CD1 4.29Å; Q1159-L1162 HydrophobicContact CG-CD1 4.16Å; Q1159-L1162 WeakPolarHBondContact O-CB 3.21Å; Q1159-L1162 PolarHBondContact O-N 2.75Å
1160F92.2Very high92Very high0 Ų042.9 Ų42.90%021%0.211CC..G310 helixtrans-53.1-37.5171.7177.7-98.8000112L1122 M1126 C1157 E1158 L1162 L1163 Q1168 I1171 P1179 V1182 L1186L1122-F1160 HydrophobicContact CD1-CD2 4Å; M1126-F1160 HydrophobicContact CE-CB 4.47Å; M1126-F1160 HydrophobicContact SD-CB 4.06Å; M1126-F1160 HydrophobicContact SD-CD2 4.08Å; C1157-F1160 WeakPolarHBondContact O-CB 3.49Å; C1157-F1160 PolarHBondContact O-N 2.77Å; C1157-F1160 VanDerWaalsContact O-N 3.08Å; E1158-F1160 PolarHBondContact O-N 3Å; E1158-F1160 VanDerWaalsContact O-N 3.16Å; F1160-L1162 PolarHBondContact O-N 2.81Å; F1160-L1163 HydrophobicContact CD2-CD1 4.27Å; F1160-L1163 WeakPolarHBondContact O-CB 2.97Å; F1160-L1163 PolarHBondContact O-N 2.71Å; F1160-Q1168 HydrophobicContact CE1-CB 4.24Å; F1160-Q1168 HydrophobicContact CE1-CG 4.23Å; F1160-Q1168 HydrophobicContact CE2-CB 4.14Å; F1160-Q1168 HydrophobicContact CE2-CG 4.31Å; F1160-Q1168 HydrophobicContact CZ-CB 3.7Å; F1160-Q1168 HydrophobicContact CZ-CG 4.03Å; F1160-Q1168 PolarHBondContact O-NE2 2.88Å; F1160-I1171 HydrophobicContact CD2-CD1 4.48Å; F1160-I1171 HydrophobicContact CD2-CG2 4.41Å; F1160-I1171 HydrophobicContact CE2-CB 4.04Å; F1160-I1171 HydrophobicContact CE2-CD1 4.41Å; F1160-I1171 HydrophobicContact CE2-CG2 3.93Å; F1160-P1179 HydrophobicContact CE1-CB 4.45Å; F1160-P1179 HydrophobicContact CZ-CB 4.39Å; F1160-V1182 HydrophobicContact CD1-CG1 4Å; F1160-V1182 HydrophobicContact CE1-CB 4.04Å; F1160-V1182 HydrophobicContact CE1-CG1 3.88Å; F1160-V1182 HydrophobicContact CE2-CG1 4.38Å; F1160-V1182 HydrophobicContact CG-CG1 4.32Å; F1160-V1182 HydrophobicContact CZ-CB 4.23Å; F1160-V1182 HydrophobicContact CZ-CG1 4.08Å; F1160-L1186 HydrophobicContact CB-CD1 4.15Å; F1160-L1186 HydrophobicContact CD1-CD1 4.46Å
1161S85.7Confident92Very high56 Ų5641.6 Ų41.639%0.39220%0.201SC..G310 helixtrans-65-21.6177.459.70000114.3E1158 Q1159 Q1168E1158-S1161 PolarHBondContact O-N 3.32Å; E1158-S1161 PolarHBondContact O-OG 2.82Å; Q1159-S1161 PolarHBondContact O-N 2.97Å; S1161-Q1168 PolarHBondContact O-NE2 3.44Å
1162L84.7Confident91.9Very high107 Ų10741.1 Ų41.156%0.5620%0.198SC*.G310 helixtrans-87.7-9-179.8-57.8176.8000113Q1159 F1160Q1159-L1162 HydrophobicContact CB-CD1 4.29Å; Q1159-L1162 HydrophobicContact CG-CD1 4.16Å; Q1159-L1162 WeakPolarHBondContact O-CB 3.21Å; Q1159-L1162 PolarHBondContact O-N 2.75Å; F1160-L1162 PolarHBondContact O-N 2.81Å
1163L87.4Confident91.8Very high9 Ų946.5 Ų46.55%0.04722%0.223CC..SBendtrans-72.1150.7177.6-74.1177.2000111.6M1126 F1130 F1160 K1167 Q1168 I1171M1126-L1163 HydrophobicContact CE-CD1 3.94Å; M1126-L1163 HydrophobicContact CE-CG 4.23Å; M1126-L1163 HydrophobicContact SD-CD1 3.63Å; F1130-L1163 HydrophobicContact CB-CD2 3.95Å; F1130-L1163 HydrophobicContact CD2-CD2 3.5Å; F1130-L1163 HydrophobicContact CE2-CD2 4.33Å; F1130-L1163 HydrophobicContact CG-CD2 4.03Å; F1160-L1163 HydrophobicContact CD2-CD1 4.27Å; F1160-L1163 WeakPolarHBondContact O-CB 2.97Å; F1160-L1163 PolarHBondContact O-N 2.71Å; L1163-K1167 HydrophobicContact CB-CB 4.32Å; L1163-K1167 HydrophobicContact CD1-CB 4.4Å; L1163-K1167 HydrophobicContact CD2-CD 3.95Å; L1163-Q1168 HydrophobicContact CB-CG 3.77Å; L1163-Q1168 PolarHBondContact O-NE2 2.88Å; L1163-I1171 HydrophobicContact CD1-CD1 3.56Å
1164E86.7Confident91.6Very high109 Ų10951 Ų5151%0.50925%0.247SC..  trans-61.8143.1169.8-62.3-177.9-142.300110.7Y1166 K1167 Q1168E1164-Y1166 HydrophobicContact CB-CD1 3.83Å; E1164-Y1166 HydrophobicContact CB-CE1 3.63Å; E1164-Y1166 HydrophobicContact CG-CE1 4.34Å; E1164-Y1166 PolarHBondContact O-N 2.89Å; E1164-Y1166 WeakPolarHBondContact OE2-CE1 3.33Å; E1164-K1167 WeakPolarHBondContact O-CB 3.24Å; E1164-K1167 PolarHBondContact O-N 2.82Å; E1164-Q1168 PolarHBondContact O-N 3Å; E1164-Q1168 VanDerWaalsContact O-N 3.15Å
1165N87.6Confident91.6Very high112 Ų11251.9 Ų51.960%0.59925%0.252SS*.Hα-helixtrans-52.1-34.6-172.1-70.7-21.8000114.5Q1168 K1169N1165-Q1168 PolarHBondContact O-N 2.85Å; N1165-K1169 WeakPolarHBondContact O-CB 3.4Å; N1165-K1169 PolarHBondContact O-N 2.89Å
1166Y91.6Very high91.6Very high136 Ų13657.9 Ų57.953%0.53328%0.284SS..Hα-helixtrans-67.3-36.6178.175.9-92.7000112.5E1164 K1169 E1170E1164-Y1166 HydrophobicContact CB-CD1 3.83Å; E1164-Y1166 HydrophobicContact CB-CE1 3.63Å; E1164-Y1166 HydrophobicContact CG-CE1 4.34Å; E1164-Y1166 PolarHBondContact O-N 2.89Å; E1164-Y1166 WeakPolarHBondContact OE2-CE1 3.33Å; Y1166-K1169 PolarHBondContact O-N 3.03Å; Y1166-E1170 PolarHBondContact O-N 3.38Å
1167K91.7Very high91.4Very high50 Ų5063.1 Ų63.122%0.21730%0.304CS..Hα-helixtrans-72.4-39.3176.6-68.2-171.9171.2-178.50111.3H1129 L1163 E1164 K1169 E1170 I1171H1129-K1167 PolarHBondContact O-NZ 2.79Å; L1163-K1167 HydrophobicContact CB-CB 4.32Å; L1163-K1167 HydrophobicContact CD1-CB 4.4Å; L1163-K1167 HydrophobicContact CD2-CD 3.95Å; E1164-K1167 WeakPolarHBondContact O-CB 3.24Å; E1164-K1167 PolarHBondContact O-N 2.82Å; K1167-K1169 PolarHBondContact O-N 3.14Å; K1167-E1170 PolarHBondContact O-N 2.89Å; K1167-I1171 WeakPolarHBondContact O-CG1 3.28Å; K1167-I1171 PolarHBondContact O-N 2.84Å
1168Q92.3Very high91.3Very high23 Ų2366 Ų6611%0.10732%0.321CS..Hα-helixtrans-58.4-43174.1-65.9-173.516.800110.7F1160 S1161 L1163 E1164 N1165 A1172 P1179F1160-Q1168 HydrophobicContact CE1-CB 4.24Å; F1160-Q1168 HydrophobicContact CE1-CG 4.23Å; F1160-Q1168 HydrophobicContact CE2-CB 4.14Å; F1160-Q1168 HydrophobicContact CE2-CG 4.31Å; F1160-Q1168 HydrophobicContact CZ-CB 3.7Å; F1160-Q1168 HydrophobicContact CZ-CG 4.03Å; F1160-Q1168 PolarHBondContact O-NE2 2.88Å; S1161-Q1168 PolarHBondContact O-NE2 3.44Å; L1163-Q1168 HydrophobicContact CB-CG 3.77Å; L1163-Q1168 PolarHBondContact O-NE2 2.88Å; E1164-Q1168 PolarHBondContact O-N 3Å; E1164-Q1168 VanDerWaalsContact O-N 3.15Å; N1165-Q1168 PolarHBondContact O-N 2.85Å; Q1168-A1172 WeakPolarHBondContact O-CB 3.29Å; Q1168-A1172 PolarHBondContact O-N 2.79Å; Q1168-P1179 HydrophobicContact CB-CB 4.27Å; Q1168-P1179 HydrophobicContact CB-CG 4.4Å
1169K94.1Very high91.3Very high118 Ų11866.3 Ų66.351%0.51333%0.326SS..Hα-helixtrans-64.6-46176.8-174.9174.5172.8177.50112.5N1165 Y1166 K1167 A1172 E1173 P1179N1165-K1169 WeakPolarHBondContact O-CB 3.4Å; N1165-K1169 PolarHBondContact O-N 2.89Å; Y1166-K1169 PolarHBondContact O-N 3.03Å; K1167-K1169 PolarHBondContact O-N 3.14Å; K1169-A1172 PolarHBondContact O-N 3.03Å; K1169-E1173 WeakPolarHBondContact CE-OE1 3.26Å; K1169-E1173 HydrophobicContact CG-CG 4.4Å; K1169-E1173 IonicContact NZ-OE1 3.55Å; K1169-E1173 WeakPolarHBondContact O-CB 3.3Å; K1169-E1173 WeakPolarHBondContact O-CG 3.33Å; K1169-E1173 PolarHBondContact O-N 2.99Å; K1169-P1179 HydrophobicContact CB-CG 4.48Å
1170E94.8Very high91.1Very high84 Ų8469.5 Ų69.539%0.39335%0.347SS..Hα-helixtrans-56.2-51.3176.2-175.7-177.5-178.900111.6H1129 Y1166 K1167 A1172 E1173 D1174H1129-E1170 IonicContact CE1-OE1 3.27Å; H1129-E1170 IonicContact CE1-OE2 2.86Å; Y1166-E1170 PolarHBondContact O-N 3.38Å; K1167-E1170 PolarHBondContact O-N 2.89Å; E1170-A1172 PolarHBondContact O-N 2.84Å; E1170-E1173 PolarHBondContact O-N 3.38Å; E1170-D1174 PolarHBondContact O-N 2.62Å
1171I94.9Very high91Very high0 Ų073.8 Ų73.80%037%0.366CS..Hα-helixtrans-65-39.8178.9-64.3170.3000111.2L1122 H1125 M1126 H1129 F1160 L1163 K1167 D1174 L1175L1122-I1171 HydrophobicContact CD1-CG2 3.98Å; H1125-I1171 HydrophobicContact CB-CD1 4.33Å; H1125-I1171 HydrophobicContact CB-CG1 4.15Å; H1125-I1171 HydrophobicContact CB-CG2 3.9Å; M1126-I1171 HydrophobicContact SD-CD1 4.25Å; H1129-I1171 HydrophobicContact CB-CD1 4.08Å; F1160-I1171 HydrophobicContact CD2-CD1 4.48Å; F1160-I1171 HydrophobicContact CD2-CG2 4.41Å; F1160-I1171 HydrophobicContact CE2-CB 4.04Å; F1160-I1171 HydrophobicContact CE2-CD1 4.41Å; F1160-I1171 HydrophobicContact CE2-CG2 3.93Å; L1163-I1171 HydrophobicContact CD1-CD1 3.56Å; K1167-I1171 WeakPolarHBondContact O-CG1 3.28Å; K1167-I1171 PolarHBondContact O-N 2.84Å; I1171-D1174 PolarHBondContact O-N 3.36Å; I1171-L1175 HydrophobicContact CG2-CD1 4.05Å; I1171-L1175 VanDerWaalsContact O-CG 3.28Å; I1171-L1175 WeakPolarHBondContact O-CG 3.35Å; I1171-L1175 PolarHBondContact O-N 2.86Å; I1171-L1175 VanDerWaalsContact O-N 3.13Å
1172A93.8Very high91.2Very high0 Ų071.5 Ų71.50%035%0.35CS..Hα-helixtrans-66.3-41.2179.200000111.7Q1168 K1169 E1170 L1175 D1176 R1177 P1179 V1182Q1168-A1172 WeakPolarHBondContact O-CB 3.29Å; Q1168-A1172 PolarHBondContact O-N 2.79Å; K1169-A1172 PolarHBondContact O-N 3.03Å; E1170-A1172 PolarHBondContact O-N 2.84Å; A1172-L1175 CarbonylContact O-C 3.57Å; A1172-L1175 PolarHBondContact O-N 2.86Å; A1172-L1175 VanDerWaalsContact O-N 3.14Å; A1172-D1176 PolarHBondContact O-N 3.02Å; A1172-R1177 CarbonylContact C-O 3.19Å; A1172-R1177 WeakPolarHBondContact CB-O 3.23Å; A1172-R1177 CarbonylContact O-C 3.55Å; A1172-R1177 PolarHBondContact O-N 2.82Å; A1172-P1179 HydrophobicContact CB-CG 3.85Å; A1172-V1182 HydrophobicContact CB-CG2 4.33Å
1173E94.5Very high91.4Very high114 Ų11467.8 Ų67.853%0.53333%0.333SS..Hα-helixtrans-61.4-42.2174.8-75.1176.1-179.800111.5K1169 E1170 L1175 D1176K1169-E1173 WeakPolarHBondContact CE-OE1 3.26Å; K1169-E1173 HydrophobicContact CG-CG 4.4Å; K1169-E1173 IonicContact NZ-OE1 3.55Å; K1169-E1173 WeakPolarHBondContact O-CB 3.3Å; K1169-E1173 WeakPolarHBondContact O-CG 3.33Å; K1169-E1173 PolarHBondContact O-N 2.99Å; E1170-E1173 PolarHBondContact O-N 3.38Å; E1173-L1175 PolarHBondContact O-N 2.6Å; E1173-D1176 PolarHBondContact O-N 3.1Å
1174D93.8Very high91.3Very high95 Ų9569.6 Ų69.651%0.50834%0.341SS..Hα-helixtrans-63.5-27.1174.9-77.9-10.9000113.3H1125 E1170 I1171 D1176H1125-D1174 IonicContact CE1-OD2 2.62Å; H1125-D1174 PolarHBondContact CE1-OD2 2.94Å; H1125-D1174 VanDerWaalsContact CE1-OD2 3.27Å; H1125-D1174 IonicContact ND1-OD2 2.69Å; E1170-D1174 PolarHBondContact O-N 2.62Å; I1171-D1174 PolarHBondContact O-N 3.36Å; D1174-D1176 VanDerWaalsContact C-N 3.34Å
1175L93.5Very high91.5Very high19 Ų1967.1 Ų67.110%0.09933%0.328CS..THydrogen-bonded Turntrans-90.15.9175.9-64.3175.2000113.1L1118 H1121 L1122 I1171 A1172 E1173 R1177 V1182L1118-L1175 HydrophobicContact CD1-CB 4.3Å; L1118-L1175 HydrophobicContact CD1-CD1 4.33Å; L1118-L1175 HydrophobicContact CD1-CD2 4.22Å; H1121-L1175 HydrophobicContact CB-CD2 3.64Å; L1122-L1175 HydrophobicContact CB-CD1 4.26Å; L1122-L1175 HydrophobicContact CD1-CD1 4.01Å; I1171-L1175 HydrophobicContact CG2-CD1 4.05Å; I1171-L1175 VanDerWaalsContact O-CG 3.28Å; I1171-L1175 WeakPolarHBondContact O-CG 3.35Å; I1171-L1175 PolarHBondContact O-N 2.86Å; I1171-L1175 VanDerWaalsContact O-N 3.13Å; A1172-L1175 CarbonylContact O-C 3.57Å; A1172-L1175 PolarHBondContact O-N 2.86Å; A1172-L1175 VanDerWaalsContact O-N 3.14Å; E1173-L1175 PolarHBondContact O-N 2.6Å; L1175-R1177 WeakPolarHBondContact O-CG 3.44Å; L1175-R1177 PolarHBondContact O-N 2.84Å; L1175-V1182 HydrophobicContact CD1-CG2 4.35Å
1176D93.8Very high91.6Very high137 Ų13762.3 Ų62.373%0.73330%0.302SS*.THydrogen-bonded Turntrans54.836.7-172.6-63.8-49.2000113.1A1172 E1173 D1174A1172-D1176 PolarHBondContact O-N 3.02Å; E1173-D1176 PolarHBondContact O-N 3.1Å; D1174-D1176 VanDerWaalsContact C-N 3.34Å
1177R92.3Very high91.3Very high111 Ų11157.7 Ų57.742%0.41929%0.286SS..SBendtrans-135.7174.3-177-66.7-61.8179.5-79.3-4.3111.7A1172 L1175 E1181 V1182A1172-R1177 CarbonylContact C-O 3.19Å; A1172-R1177 WeakPolarHBondContact CB-O 3.23Å; A1172-R1177 CarbonylContact O-C 3.55Å; A1172-R1177 PolarHBondContact O-N 2.82Å; L1175-R1177 WeakPolarHBondContact O-CG 3.44Å; L1175-R1177 PolarHBondContact O-N 2.84Å; R1177-E1181 WeakPolarHBondContact CA-OE2 3.3Å; R1177-E1181 HydrophobicContact CB-CB 4.36Å; R1177-E1181 VanDerWaalsContact CD-OE2 3.23Å; R1177-E1181 WeakPolarHBondContact CD-OE2 3.41Å; R1177-V1182 HydrophobicContact CB-CG2 4.05Å
1178T91.3Very high91Very high60 Ų6058.2 Ų58.237%0.36829%0.291SS..  trans-99154.316958.50000111.4T1180 E1181 V1182T1178-T1180 PolarHBondContact O-N 3.16Å; T1178-T1180 VanDerWaalsContact O-N 3.15Å; T1178-T1180 PolarHBondContact OG1-OG1 3.16Å; T1178-T1180 VanDerWaalsContact OG1-OG1 3.12Å; T1178-E1181 PolarHBondContact N-OE2 3.5Å; T1178-E1181 WeakPolarHBondContact O-CB 3.17Å; T1178-E1181 PolarHBondContact O-N 2.84Å; T1178-E1181 WeakPolarHBondContact OG1-CG 3.14Å; T1178-E1181 PolarHBondContact OG1-N 2.95Å; T1178-E1181 PolarHBondContact OG1-OE2 2.94Å; T1178-V1182 PolarHBondContact O-N 3.1Å
1179P89.9Confident90.8Very high38 Ų3857.7 Ų57.725%0.24729%0.289CS..Hα-helixtrans-55.5-33.3177.9-28.536.3000113.7F1160 Q1168 K1169 A1172 S1183F1160-P1179 HydrophobicContact CE1-CB 4.45Å; F1160-P1179 HydrophobicContact CZ-CB 4.39Å; Q1168-P1179 HydrophobicContact CB-CB 4.27Å; Q1168-P1179 HydrophobicContact CB-CG 4.4Å; K1169-P1179 HydrophobicContact CB-CG 4.48Å; A1172-P1179 HydrophobicContact CB-CG 3.85Å; P1179-S1183 WeakPolarHBondContact O-CB 3.18Å; P1179-S1183 PolarHBondContact O-N 2.92Å; P1179-S1183 PolarHBondContact O-OG 3.1Å
1180T86.3Confident90.4Very high82 Ų8254 Ų5450%0.50327%0.272SS..Hα-helixtrans-68.7-40.4176.248.90000112T1178 S1183 K1184T1178-T1180 PolarHBondContact O-N 3.16Å; T1178-T1180 VanDerWaalsContact O-N 3.15Å; T1178-T1180 PolarHBondContact OG1-OG1 3.16Å; T1178-T1180 VanDerWaalsContact OG1-OG1 3.12Å; T1180-S1183 PolarHBondContact O-N 2.69Å; T1180-K1184 VanDerWaalsContact O-CB 3.26Å; T1180-K1184 WeakPolarHBondContact O-CB 3.34Å; T1180-K1184 PolarHBondContact O-N 3.07Å
1181E89.5Confident89.8Confident89 Ų8952.2 Ų52.242%0.41627%0.266SS..Hα-helixtrans-65.4-40.5174.5-74.7167.4170.400112.5R1177 T1178 K1184 K1185R1177-E1181 WeakPolarHBondContact CA-OE2 3.3Å; R1177-E1181 HydrophobicContact CB-CB 4.36Å; R1177-E1181 VanDerWaalsContact CD-OE2 3.23Å; R1177-E1181 WeakPolarHBondContact CD-OE2 3.41Å; T1178-E1181 PolarHBondContact N-OE2 3.5Å; T1178-E1181 WeakPolarHBondContact O-CB 3.17Å; T1178-E1181 PolarHBondContact O-N 2.84Å; T1178-E1181 WeakPolarHBondContact OG1-CG 3.14Å; T1178-E1181 PolarHBondContact OG1-N 2.95Å; T1178-E1181 PolarHBondContact OG1-OE2 2.94Å; E1181-K1184 PolarHBondContact O-N 3.01Å; E1181-K1185 PolarHBondContact O-N 2.94Å
1182V91.6Very high89.3Confident8 Ų857.5 Ų57.55%0.04829%0.286CS..Hα-helixtrans-63.8-47.7175.9177.40000110.2L1122 F1160 A1172 L1175 R1177 T1178 K1184 K1185 L1186L1122-V1182 HydrophobicContact CD1-CG1 4.15Å; L1122-V1182 HydrophobicContact CD2-CG1 4.04Å; F1160-V1182 HydrophobicContact CD1-CG1 4Å; F1160-V1182 HydrophobicContact CE1-CB 4.04Å; F1160-V1182 HydrophobicContact CE1-CG1 3.88Å; F1160-V1182 HydrophobicContact CE2-CG1 4.38Å; F1160-V1182 HydrophobicContact CG-CG1 4.32Å; F1160-V1182 HydrophobicContact CZ-CB 4.23Å; F1160-V1182 HydrophobicContact CZ-CG1 4.08Å; A1172-V1182 HydrophobicContact CB-CG2 4.33Å; L1175-V1182 HydrophobicContact CD1-CG2 4.35Å; R1177-V1182 HydrophobicContact CB-CG2 4.05Å; T1178-V1182 PolarHBondContact O-N 3.1Å; V1182-K1184 VanDerWaalsContact C-N 3.33Å; V1182-K1184 PolarHBondContact O-N 3.07Å; V1182-K1185 PolarHBondContact O-N 2.58Å; V1182-L1186 HydrophobicContact CG1-CD1 4.34Å; V1182-L1186 PolarHBondContact O-N 3.44Å
1183S88Confident88.8Confident29 Ų2958 Ų5820%0.20329%0.288CS..Hα-helixtrans-61.4-41.9177.2-58.10000111.9P1179 T1180 L1186 E1187P1179-S1183 WeakPolarHBondContact O-CB 3.18Å; P1179-S1183 PolarHBondContact O-N 2.92Å; P1179-S1183 PolarHBondContact O-OG 3.1Å; T1180-S1183 PolarHBondContact O-N 2.69Å; S1183-L1186 WeakPolarHBondContact O-CB 3.1Å; S1183-L1186 PolarHBondContact O-N 3.08Å; S1183-E1187 WeakPolarHBondContact O-CG 3.3Å; S1183-E1187 PolarHBondContact O-N 2.71Å
1184K86.4Confident88.1Confident47 Ų4752.6 Ų52.620%0.20426%0.263CS..Hα-helixtrans-58.9-47.7174.3-176.5-171.3-168.6147.20111.6D667 T668 T1180 E1181 V1182 L1186 E1187 D1188D667-K1184 VanDerWaalsContact OD1-CD 3.31Å; D667-K1184 WeakPolarHBondContact OD1-CD 3.28Å; D667-K1184 WeakPolarHBondContact OD1-CE 3.5Å; D667-K1184 IonicContact OD1-NZ 3.2Å; D667-K1184 PolarHBondContact OD1-NZ 2.77Å; T668-K1184 PolarHBondContact O-NZ 3.18Å; T1180-K1184 VanDerWaalsContact O-CB 3.26Å; T1180-K1184 WeakPolarHBondContact O-CB 3.34Å; T1180-K1184 PolarHBondContact O-N 3.07Å; E1181-K1184 PolarHBondContact O-N 3.01Å; V1182-K1184 VanDerWaalsContact C-N 3.33Å; V1182-K1184 PolarHBondContact O-N 3.07Å; K1184-L1186 VanDerWaalsContact C-N 3.33Å; K1184-L1186 PolarHBondContact O-N 3.22Å; K1184-E1187 PolarHBondContact O-N 3.08Å; K1184-D1188 WeakPolarHBondContact O-CB 3.39Å; K1184-D1188 PolarHBondContact O-N 3.45Å
1185K90Very high87.2Confident58 Ų5849 Ų4925%0.25224%0.243SC..Hα-helixtrans-62.4-38.3179-86-162.1167.2-148.60112.9D1115 L1118 F1119 E1181 V1182 D1188 I1189D1115-K1185 IonicContact OD1-NZ 3.51Å; D1115-K1185 PolarHBondContact OD1-NZ 3.43Å; L1118-K1185 HydrophobicContact CD2-CD 3.22Å; F1119-K1185 HydrophobicContact CZ-CB 4.07Å; E1181-K1185 PolarHBondContact O-N 2.94Å; V1182-K1185 PolarHBondContact O-N 2.58Å; K1185-D1188 PolarHBondContact O-N 3.11Å; K1185-I1189 PolarHBondContact O-N 3.02Å
1186L89.9Confident86.9Confident10 Ų1050.6 Ų50.65%0.05225%0.25CS..Hα-helixtrans-60-48.2173.4-75.1163.2000111.1F1119 L1122 C1157 F1160 V1182 S1183 K1184 D1188 I1189 R1190F1119-L1186 HydrophobicContact CD1-CD2 4.26Å; F1119-L1186 HydrophobicContact CE1-CD2 3.58Å; F1119-L1186 HydrophobicContact CE1-CG 4.08Å; L1122-L1186 HydrophobicContact CD2-CD1 4.32Å; L1122-L1186 HydrophobicContact CD2-CD2 4.15Å; L1122-L1186 HydrophobicContact CD2-CG 4.4Å; C1157-L1186 HydrophobicContact CB-CD2 3.71Å; F1160-L1186 HydrophobicContact CB-CD1 4.15Å; F1160-L1186 HydrophobicContact CD1-CD1 4.46Å; V1182-L1186 HydrophobicContact CG1-CD1 4.34Å; V1182-L1186 PolarHBondContact O-N 3.44Å; S1183-L1186 WeakPolarHBondContact O-CB 3.1Å; S1183-L1186 PolarHBondContact O-N 3.08Å; K1184-L1186 VanDerWaalsContact C-N 3.33Å; K1184-L1186 PolarHBondContact O-N 3.22Å; L1186-D1188 PolarHBondContact O-N 3.36Å; L1186-I1189 PolarHBondContact O-N 2.89Å; L1186-R1190 PolarHBondContact O-N 2.78Å
1187E84.8Confident86.5Confident40 Ų4046 Ų4619%0.18723%0.225CC..Hα-helixtrans-65.5-36.1177.2-70-178.9-153.700113.4R669 S1183 K1184 I1189 R1190 T1191R669-E1187 IonicContact CZ-OE1 2.7Å; R669-E1187 IonicContact CZ-OE2 3.54Å; R669-E1187 VanDerWaalsContact CZ-OE2 3.32Å; R669-E1187 IonicContact NE-OE2 3.29Å; R669-E1187 IonicContact NH1-OE1 3.45Å; R669-E1187 PolarHBondContact NH1-OE1 2.88Å; R669-E1187 IonicContact NH1-OE2 2.66Å; R669-E1187 PolarHBondContact NH1-OE2 2.93Å; R669-E1187 IonicContact NH2-OE1 3.43Å; S1183-E1187 WeakPolarHBondContact O-CG 3.3Å; S1183-E1187 PolarHBondContact O-N 2.71Å; K1184-E1187 PolarHBondContact O-N 3.08Å; E1187-I1189 PolarHBondContact O-N 2.81Å; E1187-R1190 PolarHBondContact O-N 3.1Å; E1187-T1191 WeakPolarHBondContact O-CB 3.48Å; E1187-T1191 PolarHBondContact O-N 2.84Å; E1187-T1191 PolarHBondContact O-OG1 3.44Å
1188D85.6Confident86.2Confident60 Ų6042.4 Ų42.432%0.32121%0.214SC..Hα-helixtrans-64.2-39.6-180-76.3-19.1000111.5K1184 K1185 L1186 T1191 R1192K1184-D1188 WeakPolarHBondContact O-CB 3.39Å; K1184-D1188 PolarHBondContact O-N 3.45Å; K1185-D1188 PolarHBondContact O-N 3.11Å; L1186-D1188 PolarHBondContact O-N 3.36Å; D1188-T1191 PolarHBondContact O-N 3.25Å; D1188-R1192 VanDerWaalsContact O-CB 3.27Å; D1188-R1192 WeakPolarHBondContact O-CB 3.47Å; D1188-R1192 PolarHBondContact O-N 2.9Å
1189I87.9Confident85.9Confident13 Ų1341.4 Ų41.47%0.06721%0.205CC..Hα-helixtrans-63.3-47174-70.3-166.2000110.2Y4 L6 F1110 F1119 K1185 L1186 E1187 T1191 R1192 Y1193Y4-I1189 HydrophobicContact CD1-CG2 3.43Å; Y4-I1189 VanDerWaalsContact CD1-CG2 3.43Å; Y4-I1189 HydrophobicContact CE1-CB 4.39Å; Y4-I1189 HydrophobicContact CE1-CG2 3.53Å; Y4-I1189 HydrophobicContact CG-CG2 4.24Å; L6-I1189 HydrophobicContact CD1-CG2 4.4Å; F1110-I1189 HydrophobicContact CD1-CD1 4.44Å; F1110-I1189 HydrophobicContact CE1-CD1 3.85Å; F1119-I1189 HydrophobicContact CD2-CD1 3.68Å; F1119-I1189 HydrophobicContact CE1-CD1 4.11Å; F1119-I1189 HydrophobicContact CE2-CD1 3.13Å; F1119-I1189 HydrophobicContact CE2-CG1 4.01Å; F1119-I1189 HydrophobicContact CG-CD1 4.4Å; F1119-I1189 HydrophobicContact CZ-CD1 3.35Å; F1119-I1189 HydrophobicContact CZ-CG1 3.97Å; K1185-I1189 PolarHBondContact O-N 3.02Å; L1186-I1189 PolarHBondContact O-N 2.89Å; E1187-I1189 PolarHBondContact O-N 2.81Å; I1189-T1191 VanDerWaalsContact C-N 3.34Å; I1189-T1191 PolarHBondContact O-N 2.93Å; I1189-R1192 PolarHBondContact O-N 3.06Å; I1189-Y1193 HydrophobicContact CG2-CD2 3.95Å; I1189-Y1193 HydrophobicContact CG2-CE2 4.34Å; I1189-Y1193 VanDerWaalsContact O-CD2 3.28Å; I1189-Y1193 WeakPolarHBondContact O-CD2 3.32Å; I1189-Y1193 PolarHBondContact O-N 2.86Å
1190R86Confident85.6Confident41 Ų4141.6 Ų41.616%0.15520%0.203CC..Hα-helixtrans-60.9-45.5178.6-157.4176.7-144.6-90.10.4111.1T7 E1158 L1186 E1187 R1192 Y1193 A1194 F1195T7-R1190 PolarHBondContact O-NH2 3.26Å; E1158-R1190 WeakPolarHBondContact OE1-CD 3.46Å; E1158-R1190 IonicContact OE1-NE 3.25Å; E1158-R1190 PolarHBondContact OE1-NE 3.21Å; L1186-R1190 PolarHBondContact O-N 2.78Å; E1187-R1190 PolarHBondContact O-N 3.1Å; R1190-R1192 VanDerWaalsContact C-N 3.3Å; R1190-R1192 PolarHBondContact O-N 2.89Å; R1190-Y1193 PolarHBondContact O-N 3.41Å; R1190-A1194 HydrophobicContact CG-CB 4.2Å; R1190-A1194 CarbonylContact O-C 3.55Å; R1190-A1194 WeakPolarHBondContact O-CA 3.35Å; R1190-A1194 WeakPolarHBondContact O-CB 3Å; R1190-A1194 PolarHBondContact O-N 2.93Å; R1190-F1195 PolarHBondContact NH1-O 3.38Å
1191T82.2Confident85.6Confident45 Ų4538.9 Ų38.928%0.27618%0.183SC..Hα-helixtrans-64-32.8179.5-57.60000112.9R671 E1187 D1188 I1189R671-T1191 HydrophobicContact CG-CG2 4.32Å; E1187-T1191 WeakPolarHBondContact O-CB 3.48Å; E1187-T1191 PolarHBondContact O-N 2.84Å; E1187-T1191 PolarHBondContact O-OG1 3.44Å; D1188-T1191 PolarHBondContact O-N 3.25Å; I1189-T1191 VanDerWaalsContact C-N 3.34Å; I1189-T1191 PolarHBondContact O-N 2.93Å
1192R83.6Confident85.3Confident112 Ų11235.3 Ų35.342%0.42317%0.166SC..Hα-helixtrans-75.5-39.2-178.4-173.6-177.5-61.81741.7112.9S1091 S1111 D1188 I1189 R1190S1091-R1192 WeakPolarHBondContact CB-O 3.22Å; S1111-R1192 PolarHBondContact OG-NH1 2.86Å; D1188-R1192 VanDerWaalsContact O-CB 3.27Å; D1188-R1192 WeakPolarHBondContact O-CB 3.47Å; D1188-R1192 PolarHBondContact O-N 2.9Å; I1189-R1192 PolarHBondContact O-N 3.06Å; R1190-R1192 VanDerWaalsContact C-N 3.3Å; R1190-R1192 PolarHBondContact O-N 2.89Å
1193Y83.7Confident84.8Confident10 Ų1037.4 Ų37.44%0.03918%0.175CC..Hα-helixtrans-112.2-20.8-169.4-64.8-72000113.8I1094 A1108 P1109 I1189 R1190I1094-Y1193 WeakPolarHBondContact CD1-O 3.32Å; I1094-Y1193 HydrophobicContact CG2-CD1 3.58Å; I1094-Y1193 HydrophobicContact CG2-CG 4.14Å; A1108-Y1193 HydrophobicContact CB-CD1 3.85Å; A1108-Y1193 HydrophobicContact CB-CD2 3.63Å; A1108-Y1193 HydrophobicContact CB-CE1 4.27Å; A1108-Y1193 HydrophobicContact CB-CE2 4.11Å; A1108-Y1193 HydrophobicContact CB-CG 3.5Å; P1109-Y1193 HydrophobicContact CG-CE1 4.39Å; P1109-Y1193 VanDerWaalsContact O-CZ 3.23Å; P1109-Y1193 PolarHBondContact O-OH 2.81Å; I1189-Y1193 HydrophobicContact CG2-CD2 3.95Å; I1189-Y1193 HydrophobicContact CG2-CE2 4.34Å; I1189-Y1193 VanDerWaalsContact O-CD2 3.28Å; I1189-Y1193 WeakPolarHBondContact O-CD2 3.32Å; I1189-Y1193 PolarHBondContact O-N 2.86Å; R1190-Y1193 PolarHBondContact O-N 3.41Å
1194A80.3Confident84.5Confident1 Ų138.1 Ų38.11%0.00817%0.173CC..  trans-144.1-162.7-168.100000110.9L8 I1088 R1190L8-A1194 HydrophobicContact CD2-CB 3.62Å; I1088-A1194 WeakPolarHBondContact CD1-O 3.36Å; R1190-A1194 HydrophobicContact CG-CB 4.2Å; R1190-A1194 CarbonylContact O-C 3.55Å; R1190-A1194 WeakPolarHBondContact O-CA 3.35Å; R1190-A1194 WeakPolarHBondContact O-CB 3Å; R1190-A1194 PolarHBondContact O-N 2.93Å
1195F74.1Confident84.4Confident20 Ų2037.3 Ų37.39%0.08817%0.17CC..  trans-90.50-168.1-62-50.1000115.1L8 H445 R671 V752 F753 L1087 R1190L8-F1195 HydrophobicContact CD1-CE2 4.45Å; L8-F1195 HydrophobicContact CD2-CD2 4.44Å; H445-F1195 HydrophobicContact CB-CD1 3.85Å; H445-F1195 HydrophobicContact CB-CD2 4.34Å; H445-F1195 HydrophobicContact CB-CE1 3.66Å; H445-F1195 HydrophobicContact CB-CE2 4.21Å; H445-F1195 HydrophobicContact CB-CG 4.17Å; H445-F1195 HydrophobicContact CB-CZ 3.84Å; H445-F1195 AromaticContact CD2-CG 3.78Å; H445-F1195 VanDerWaalsContact CE1-CB 3.49Å; H445-F1195 WeakPolarHBondContact CE1-CB 3.3Å; H445-F1195 AromaticContact CE1-CD1 3.47Å; H445-F1195 VanDerWaalsContact CE1-CD1 3.47Å; H445-F1195 WeakPolarHBondContact CE1-CD1 3.35Å; H445-F1195 AromaticContact CE1-CG 3.69Å; H445-F1195 AromaticContact CG-CD1 3.36Å; H445-F1195 AromaticContact CG-CE1 3.72Å; H445-F1195 AromaticContact CG-CG 3.57Å; H445-F1195 AromaticContact ND1-CD1 3Å; H445-F1195 WeakPolarHBondContact ND1-CD1 3.31Å; H445-F1195 AromaticContact ND1-CE1 3.56Å; H445-F1195 AromaticContact ND1-CG 3.55Å; H445-F1195 AromaticContact NE2-CG 3.89Å; R671-F1195 PolarHBondContact NH2-OXT 3.38Å; V752-F1195 HydrophobicContact CG1-CB 4.45Å; F753-F1195 HydrophobicContact CE1-CD2 4.08Å; F753-F1195 AromaticContact CE1-CE2 3.56Å; F753-F1195 HydrophobicContact CE1-CE2 3.56Å; F753-F1195 HydrophobicContact CE1-CZ 4.27Å; F753-F1195 AromaticContact CZ-CD2 3.67Å; F753-F1195 HydrophobicContact CZ-CD2 3.67Å; F753-F1195 AromaticContact CZ-CE2 3.4Å; F753-F1195 HydrophobicContact CZ-CE2 3.4Å; F753-F1195 VanDerWaalsContact CZ-CE2 3.4Å; F753-F1195 HydrophobicContact CZ-CZ 4.48Å; L1087-F1195 HydrophobicContact CB-CE1 4.18Å; L1087-F1195 HydrophobicContact CB-CZ 4.04Å; L1087-F1195 HydrophobicContact CD1-CE2 3.9Å; L1087-F1195 HydrophobicContact CD1-CZ 3.97Å; L1087-F1195 HydrophobicContact CD2-CE2 4.46Å; L1087-F1195 HydrophobicContact CD2-CZ 3.99Å; L1087-F1195 HydrophobicContact CG-CZ 4.22Å; R1190-F1195 PolarHBondContact NH1-O 3.38Å

Retrieved 1,195 of 1,195 residues in 2270.6 ms (Link to these results)

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