A0A087YKW7_POEFO Loading...

DENN domain containing 1C

AlphaFold DB , UniProt , Accession A0A087YKW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 912 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
1M51.6Low79.9Confident149 Ų14979.7 Ų79.773%0.73439%0.391SS*.  0-105.90-45.7-40-83.300107.9
2G70.6Confident80.4Confident8 Ų873.4 Ų73.48%0.08236%0.36CS..  trans-59.6-54.1-17100000118.4Y242 Q244 C389G2-Y242 WeakPolarHBondContact O-CD2 3.39Å; G2-Q244 PolarHBondContact O-NE2 3.43Å; G2-C389 PolarHBondContact N-SG 3.37Å
3S83.4Confident81.2Confident42 Ų4267.8 Ų67.829%0.29433%0.333SS..  trans-88.2143179.8-175.20000111.9L5S3-L5 PolarHBondContact OG-N 2.84Å
4R87.9Confident81.9Confident22 Ų2265.6 Ų65.68%0.08332%0.323CS..  trans-96.19.8177.2-61.7-178.863.4-176.33113.6T74 G78 C79 Q80 W243 Q244 H245R4-T74 PolarHBondContact NH2-OG1 3.03Å; R4-G78 PolarHBondContact NE-O 2.57Å; R4-G78 PolarHBondContact NH2-O 3.14Å; R4-C79 CarbonylContact O-C 3.58Å; R4-C79 WeakPolarHBondContact O-CA 3.45Å; R4-Q80 HydrophobicContact CB-CG 4.13Å; R4-Q80 PolarHBondContact O-N 3.36Å; R4-W243 WeakPolarHBondContact CD-O 3.36Å; R4-W243 PolarHBondContact NH1-O 3.17Å; R4-Q244 PolarHBondContact NH1-O 3.49Å; R4-H245 PolarHBondContact NH1-O 3.23Å
5L88.3Confident82.6Confident55 Ų5561.3 Ų61.329%0.28830%0.302SS..SBendtrans-82.7138.1169.7-59.4176.8000109.9S3 Q7 F82 P102S3-L5 PolarHBondContact OG-N 2.84Å; L5-Q7 PolarHBondContact O-N 3.23Å; L5-F82 HydrophobicContact CD2-CE2 3.75Å; L5-F82 HydrophobicContact CD2-CZ 3.65Å; L5-P102 HydrophobicContact CD1-CG 4.14Å; L5-P102 HydrophobicContact CD2-CB 4.26Å; L5-P102 HydrophobicContact CD2-CG 4.08Å
6K86.6Confident83.3Confident45 Ų4557.4 Ų57.420%0.19628%0.283CS..  trans-68115.7173.2-146.475.3165.8-167.20108P9 D75 E77 C79 Y100K6-P9 HydrophobicContact CB-CB 4.48Å; K6-P9 WeakPolarHBondContact O-CD 3.4Å; K6-D75 IonicContact NZ-OD1 2.69Å; K6-D75 IonicContact NZ-OD2 2.67Å; K6-D75 PolarHBondContact NZ-OD2 2.72Å; K6-E77 IonicContact NZ-OE1 2.75Å; K6-E77 PolarHBondContact NZ-OE1 3.1Å; K6-E77 IonicContact NZ-OE2 2.64Å; K6-C79 HydrophobicContact CD-CB 3.69Å; K6-Y100 HydrophobicContact CB-CD1 3.59Å; K6-Y100 HydrophobicContact CB-CE1 4.17Å; K6-Y100 HydrophobicContact CB-CG 3.88Å; K6-Y100 HydrophobicContact CD-CD1 4.12Å; K6-Y100 HydrophobicContact CD-CE1 3.8Å; K6-Y100 HydrophobicContact CG-CD1 3.95Å; K6-Y100 HydrophobicContact CG-CE1 4.05Å; K6-Y100 HydrophobicContact CG-CG 4.26Å
7Q78.4Confident83.9Confident171 Ų17154.1 Ų54.180%0.79927%0.267SS*.SBendtrans-66.1-42.1-172.9-70-173.6-1000113.2L5L5-Q7 PolarHBondContact O-N 3.23Å
8N80.9Confident84.4Confident113 Ų11352.5 Ų52.560%0.60426%0.258SS*.SBendtrans-126.779.3179.8-60-56000109.5
9P84.5Confident84.8Confident16 Ų1649.7 Ų49.710%0.10425%0.245CC..  trans-75.5140.2173.727.2-23.6000110.2K6 R11 Y100 L101 I138K6-P9 HydrophobicContact CB-CB 4.48Å; K6-P9 WeakPolarHBondContact O-CD 3.4Å; P9-R11 VanDerWaalsContact C-N 3.27Å; P9-R11 PolarHBondContact O-N 2.9Å; P9-Y100 HydrophobicContact CB-CD2 4.16Å; P9-Y100 HydrophobicContact CB-CG 4.28Å; P9-L101 HydrophobicContact CG-CD2 3.75Å; P9-L101 HydrophobicContact CG-CG 4.28Å; P9-I138 HydrophobicContact CG-CD1 4.01Å; P9-I138 WeakPolarHBondContact O-CD1 3.11Å
10E82.2Confident85.1Confident167 Ų16749.1 Ų49.178%0.7824%0.244SC*.SBendtrans-66.1-24.9-175.2-62.1178.8176.400114.6
11R84.4Confident85.1Confident89 Ų8947.4 Ų47.434%0.33624%0.237SC..SBendtrans-145.4149.2-166.8-55.9179-164-103.4-3.8110.9P9 F13 Y134 I138P9-R11 VanDerWaalsContact C-N 3.27Å; P9-R11 PolarHBondContact O-N 2.9Å; R11-F13 VanDerWaalsContact C-N 3.26Å; R11-F13 WeakPolarHBondContact CB-O 3.27Å; R11-F13 PolarHBondContact O-N 3.14Å; R11-Y134 VanDerWaalsContact CD-CE2 3.49Å; R11-Y134 VanDerWaalsContact NH1-CE1 3.26Å; R11-Y134 PolarHBondContact NH1-OH 2.8Å; R11-I138 VanDerWaalsContact C-CD1 3.41Å; R11-I138 WeakPolarHBondContact O-CD1 3.41Å
12T86Confident86.6Confident4 Ų441 Ų413%0.02521%0.206CC..SBendtrans-57.3-37174.953.80000112.9S99 F107 L133 Q136 I138T12-S99 WeakPolarHBondContact O-CB 3.27Å; T12-S99 PolarHBondContact O-OG 3.24Å; T12-F107 WeakPolarHBondContact O-CZ 3.42Å; T12-L133 HydrophobicContact CG2-CD1 4.13Å; T12-L133 PolarHBondContact OG1-O 2.98Å; T12-Q136 HydrophobicContact CG2-CB 3.98Å; T12-Q136 HydrophobicContact CG2-CG 4.23Å; T12-I138 HydrophobicContact CG2-CG1 4.07Å
13F90.9Very high86.8Confident1 Ų147.2 Ų47.20%0.00424%0.242CC..  trans-149.3161.3169.372.7-78.9000110.2R11 F16 F35 I97 L130 L133 Y134R11-F13 VanDerWaalsContact C-N 3.26Å; R11-F13 WeakPolarHBondContact CB-O 3.27Å; R11-F13 PolarHBondContact O-N 3.14Å; F13-F16 HydrophobicContact CD2-CB 4.4Å; F13-F16 HydrophobicContact CE2-CB 3.92Å; F13-F35 HydrophobicContact CE2-CD1 4.11Å; F13-F35 AromaticContact CZ-CD1 3.87Å; F13-F35 HydrophobicContact CZ-CD1 3.87Å; F13-F35 HydrophobicContact CZ-CE1 4.26Å; F13-I97 HydrophobicContact CB-CG2 3.68Å; F13-I97 HydrophobicContact CD2-CG2 4.31Å; F13-I97 HydrophobicContact CG-CG2 4.15Å; F13-L130 HydrophobicContact CE1-CD2 4.4Å; F13-L130 HydrophobicContact CE2-CD2 4.35Å; F13-L130 HydrophobicContact CZ-CB 4.22Å; F13-L130 HydrophobicContact CZ-CD2 3.83Å; F13-L133 HydrophobicContact CD1-CD2 3.91Å; F13-L133 HydrophobicContact CD1-CG 3.97Å; F13-L133 HydrophobicContact CE1-CB 4.07Å; F13-L133 HydrophobicContact CE1-CD2 3.87Å; F13-L133 HydrophobicContact CE1-CG 3.86Å; F13-Y134 HydrophobicContact CD1-CD2 4.48Å; F13-Y134 HydrophobicContact CD2-CD2 4.49Å; F13-Y134 HydrophobicContact CE1-CD2 4.16Å; F13-Y134 HydrophobicContact CE1-CG 4.46Å; F13-Y134 HydrophobicContact CE2-CD2 4.17Å; F13-Y134 AromaticContact CZ-CD2 3.99Å; F13-Y134 HydrophobicContact CZ-CD2 3.99Å; F13-Y134 HydrophobicContact CZ-CG 4.32Å; F13-Y134 WeakPolarHBondContact O-CD2 3.33Å; F13-Y134 WeakPolarHBondContact O-CE2 3.32Å
14N90.3Very high86.2Confident37 Ų3746.8 Ų46.820%0.19824%0.241CC..SBendtrans-102-37-177.1-61.5102000112.5L98 Y100N14-L98 PolarHBondContact N-O 2.89Å; N14-Y100 WeakPolarHBondContact OD1-CD2 3.41Å
15W92.5Very high85.2Confident0 Ų052.3 Ų52.30%026%0.262CS..EExtended strand (participates in β ladder)trans-154.9141.6-177.5-169.139.9000110.6F17 V31 F39 L48 L98W15-F17 AromaticContact CD2-CD1 3.56Å; W15-F17 HydrophobicContact CD2-CD1 3.56Å; W15-F17 HydrophobicContact CD2-CE1 4.1Å; W15-F17 HydrophobicContact CD2-CG 4.36Å; W15-F17 AromaticContact CE2-CD1 3.84Å; W15-F17 AromaticContact CE3-CD1 3.34Å; W15-F17 HydrophobicContact CE3-CD1 3.34Å; W15-F17 AromaticContact CE3-CE1 3.39Å; W15-F17 HydrophobicContact CE3-CE1 3.39Å; W15-F17 HydrophobicContact CE3-CG 4.3Å; W15-F17 HydrophobicContact CE3-CZ 4.36Å; W15-F17 HydrophobicContact CG-CD1 4.32Å; W15-F17 HydrophobicContact CH2-CB 4.31Å; W15-F17 AromaticContact CH2-CD1 3.67Å; W15-F17 HydrophobicContact CH2-CD1 3.67Å; W15-F17 HydrophobicContact CH2-CD2 4.21Å; W15-F17 AromaticContact CH2-CE1 3.94Å; W15-F17 HydrophobicContact CH2-CE1 3.94Å; W15-F17 HydrophobicContact CH2-CE2 4.44Å; W15-F17 AromaticContact CH2-CG 3.82Å; W15-F17 HydrophobicContact CH2-CG 3.82Å; W15-F17 HydrophobicContact CH2-CZ 4.32Å; W15-F17 HydrophobicContact CZ2-CB 3.9Å; W15-F17 AromaticContact CZ2-CD1 3.91Å; W15-F17 HydrophobicContact CZ2-CD1 3.91Å; W15-F17 AromaticContact CZ2-CG 3.92Å; W15-F17 HydrophobicContact CZ2-CG 3.92Å; W15-F17 AromaticContact CZ3-CD1 3.4Å; W15-F17 HydrophobicContact CZ3-CD1 3.4Å; W15-F17 HydrophobicContact CZ3-CD2 4.49Å; W15-F17 AromaticContact CZ3-CE1 3.3Å; W15-F17 HydrophobicContact CZ3-CE1 3.3Å; W15-F17 HydrophobicContact CZ3-CE2 4.41Å; W15-F17 HydrophobicContact CZ3-CG 4.03Å; W15-F17 AromaticContact CZ3-CZ 3.84Å; W15-F17 HydrophobicContact CZ3-CZ 3.84Å; W15-V31 HydrophobicContact CH2-CG2 4.48Å; W15-F39 HydrophobicContact CB-CD2 3.97Å; W15-F39 HydrophobicContact CB-CE2 3.72Å; W15-F39 HydrophobicContact CB-CZ 4.02Å; W15-F39 AromaticContact CD1-CD1 3.86Å; W15-F39 AromaticContact CD1-CD2 3.7Å; W15-F39 AromaticContact CD1-CG 3.49Å; W15-F39 VanDerWaalsContact CD1-CG 3.49Å; W15-F39 AromaticContact CD2-CD1 3.86Å; W15-F39 HydrophobicContact CD2-CD1 3.86Å; W15-F39 AromaticContact CD2-CE1 3.79Å; W15-F39 HydrophobicContact CD2-CE1 3.79Å; W15-F39 HydrophobicContact CD2-CG 4.25Å; W15-F39 HydrophobicContact CD2-CZ 4.13Å; W15-F39 AromaticContact CE2-CD1 3.75Å; W15-F39 HydrophobicContact CE3-CD1 4.48Å; W15-F39 HydrophobicContact CE3-CE1 4.01Å; W15-F39 HydrophobicContact CE3-CZ 4.34Å; W15-F39 AromaticContact CG-CD1 3.98Å; W15-F39 HydrophobicContact CG-CD1 3.98Å; W15-F39 AromaticContact CG-CD2 3.84Å; W15-F39 HydrophobicContact CG-CD2 3.84Å; W15-F39 HydrophobicContact CG-CE1 4.04Å; W15-F39 AromaticContact CG-CE2 3.92Å; W15-F39 HydrophobicContact CG-CE2 3.92Å; W15-F39 AromaticContact CG-CG 3.88Å; W15-F39 HydrophobicContact CG-CG 3.88Å; W15-F39 HydrophobicContact CG-CZ 4.01Å; W15-F39 HydrophobicContact CZ2-CD1 4.34Å; W15-F39 AromaticContact NE1-CD1 3.71Å; W15-F39 AromaticContact NE1-CG 3.67Å; W15-L48 HydrophobicContact CE3-CD1 4.31Å; W15-L48 HydrophobicContact CZ3-CB 4.1Å; W15-L48 HydrophobicContact CZ3-CD1 4.14Å; W15-L98 HydrophobicContact CB-CB 4.34Å; W15-L98 PolarHBondContact N-O 2.65Å; W15-L98 PolarHBondContact O-N 2.89Å
16F94.2Very high84.3Confident0 Ų057.1 Ų57.10%029%0.288CS..EExtended strand (participates in β ladder)trans-123.1139.4167.5168.2-104.5000109.1F13 F33 Q34 F35 L95 C96 I97 L111 L114 L130F13-F16 HydrophobicContact CD2-CB 4.4Å; F13-F16 HydrophobicContact CE2-CB 3.92Å; F16-F33 HydrophobicContact CD1-CD1 4.04Å; F16-F33 AromaticContact CD1-CE1 3.86Å; F16-F33 HydrophobicContact CD1-CE1 3.86Å; F16-F33 AromaticContact CE1-CD1 3.68Å; F16-F33 HydrophobicContact CE1-CD1 3.68Å; F16-F33 AromaticContact CE1-CE1 3.67Å; F16-F33 HydrophobicContact CE1-CE1 3.67Å; F16-Q34 CarbonylContact O-C 3.5Å; F16-Q34 VanDerWaalsContact O-CA 3.26Å; F16-Q34 WeakPolarHBondContact O-CA 3.49Å; F16-F35 HydrophobicContact CB-CB 4.43Å; F16-F35 HydrophobicContact CD1-CB 4.43Å; F16-F35 PolarHBondContact N-O 3.3Å; F16-F35 PolarHBondContact O-N 3.12Å; F16-L95 HydrophobicContact CE2-CB 4.18Å; F16-L95 HydrophobicContact CZ-CD2 4.34Å; F16-C96 VanDerWaalsContact CA-O 3.3Å; F16-C96 WeakPolarHBondContact CA-O 3.3Å; F16-C96 WeakPolarHBondContact CD2-O 3.37Å; F16-I97 HydrophobicContact CD2-CG1 3.6Å; F16-I97 HydrophobicContact CE2-CG1 4.31Å; F16-I97 HydrophobicContact CG-CG1 4.49Å; F16-L111 HydrophobicContact CE2-CD2 4.17Å; F16-L114 HydrophobicContact CD2-CD1 4.28Å; F16-L114 HydrophobicContact CE2-CD1 3.85Å; F16-L114 HydrophobicContact CZ-CD1 4.09Å; F16-L130 HydrophobicContact CB-CD1 4.47Å; F16-L130 HydrophobicContact CB-CD2 4.22Å; F16-L130 HydrophobicContact CD1-CD1 3.39Å; F16-L130 HydrophobicContact CD1-CD2 4.29Å; F16-L130 HydrophobicContact CE1-CD1 3.84Å; F16-L130 HydrophobicContact CG-CD1 4.1Å; F16-L130 HydrophobicContact CG-CD2 4.19Å
17F93.1Very high83.9Confident1 Ų161.5 Ų61.50%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-151.9152177.161.8-81.4000114W15 A19 V31 F33 Q34 P49 C52 C96W15-F17 AromaticContact CD2-CD1 3.56Å; W15-F17 HydrophobicContact CD2-CD1 3.56Å; W15-F17 HydrophobicContact CD2-CE1 4.1Å; W15-F17 HydrophobicContact CD2-CG 4.36Å; W15-F17 AromaticContact CE2-CD1 3.84Å; W15-F17 AromaticContact CE3-CD1 3.34Å; W15-F17 HydrophobicContact CE3-CD1 3.34Å; W15-F17 AromaticContact CE3-CE1 3.39Å; W15-F17 HydrophobicContact CE3-CE1 3.39Å; W15-F17 HydrophobicContact CE3-CG 4.3Å; W15-F17 HydrophobicContact CE3-CZ 4.36Å; W15-F17 HydrophobicContact CG-CD1 4.32Å; W15-F17 HydrophobicContact CH2-CB 4.31Å; W15-F17 AromaticContact CH2-CD1 3.67Å; W15-F17 HydrophobicContact CH2-CD1 3.67Å; W15-F17 HydrophobicContact CH2-CD2 4.21Å; W15-F17 AromaticContact CH2-CE1 3.94Å; W15-F17 HydrophobicContact CH2-CE1 3.94Å; W15-F17 HydrophobicContact CH2-CE2 4.44Å; W15-F17 AromaticContact CH2-CG 3.82Å; W15-F17 HydrophobicContact CH2-CG 3.82Å; W15-F17 HydrophobicContact CH2-CZ 4.32Å; W15-F17 HydrophobicContact CZ2-CB 3.9Å; W15-F17 AromaticContact CZ2-CD1 3.91Å; W15-F17 HydrophobicContact CZ2-CD1 3.91Å; W15-F17 AromaticContact CZ2-CG 3.92Å; W15-F17 HydrophobicContact CZ2-CG 3.92Å; W15-F17 AromaticContact CZ3-CD1 3.4Å; W15-F17 HydrophobicContact CZ3-CD1 3.4Å; W15-F17 HydrophobicContact CZ3-CD2 4.49Å; W15-F17 AromaticContact CZ3-CE1 3.3Å; W15-F17 HydrophobicContact CZ3-CE1 3.3Å; W15-F17 HydrophobicContact CZ3-CE2 4.41Å; W15-F17 HydrophobicContact CZ3-CG 4.03Å; W15-F17 AromaticContact CZ3-CZ 3.84Å; W15-F17 HydrophobicContact CZ3-CZ 3.84Å; F17-A19 HydrophobicContact CD2-CB 4.04Å; F17-A19 HydrophobicContact CE2-CB 3.99Å; F17-V31 HydrophobicContact CB-CG1 4.07Å; F17-V31 HydrophobicContact CD2-CG2 4.39Å; F17-F33 CarbonylContact C-O 3.55Å; F17-F33 VanDerWaalsContact CA-O 3.24Å; F17-F33 WeakPolarHBondContact CA-O 3.18Å; F17-Q34 HydrophobicContact CB-CB 4.29Å; F17-P49 HydrophobicContact CE2-CB 4.39Å; F17-P49 HydrophobicContact CE2-CG 4.15Å; F17-C52 VanDerWaalsContact CE2-SG 3.55Å; F17-C96 HydrophobicContact CD1-CB 4.06Å; F17-C96 HydrophobicContact CD2-CB 4.33Å; F17-C96 HydrophobicContact CE1-CB 3.58Å; F17-C96 HydrophobicContact CE2-CB 3.89Å; F17-C96 HydrophobicContact CG-CB 4.41Å; F17-C96 HydrophobicContact CZ-CB 3.49Å; F17-C96 VanDerWaalsContact CZ-CB 3.49Å; F17-C96 PolarHBondContact N-O 3.26Å; F17-C96 PolarHBondContact O-N 3.18Å
18E93.5Very high84.1Confident25 Ų2557.4 Ų57.412%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-98.8113.2162.9-179.5-176.3-167.100109.1V31 K32 F33 T93 C94 L95E18-V31 WeakPolarHBondContact O-CA 3.36Å; E18-K32 HydrophobicContact CB-CB 4.25Å; E18-K32 VanDerWaalsContact CD-CD 3.43Å; E18-K32 HydrophobicContact CG-CB 4.2Å; E18-K32 HydrophobicContact CG-CD 4.17Å; E18-K32 PolarHBondContact O-N 3.11Å; E18-K32 IonicContact OE1-NZ 2.81Å; E18-K32 PolarHBondContact OE1-NZ 2.72Å; E18-K32 WeakPolarHBondContact OE2-CB 3.45Å; E18-K32 VanDerWaalsContact OE2-CD 3.28Å; E18-K32 WeakPolarHBondContact OE2-CD 3.23Å; E18-F33 HydrophobicContact CB-CB 4.27Å; E18-F33 PolarHBondContact N-O 3.43Å; E18-T93 HydrophobicContact CG-CG2 4.19Å; E18-T93 WeakPolarHBondContact OE1-CB 3.38Å; E18-T93 WeakPolarHBondContact OE1-CG2 3.21Å; E18-T93 PolarHBondContact OE1-OG1 3.22Å; E18-C94 WeakPolarHBondContact CA-O 3.42Å; E18-L95 HydrophobicContact CB-CD2 3.72Å; E18-L95 HydrophobicContact CG-CD2 3.77Å
19A92.1Very high84.3Confident0 Ų052.6 Ų52.60%027%0.266CS..EExtended strand (participates in β ladder)trans-93.7144172.400000111.6F17 P49 C52 F53 T93 C94F17-A19 HydrophobicContact CD2-CB 4.04Å; F17-A19 HydrophobicContact CE2-CB 3.99Å; A19-P49 HydrophobicContact CB-CB 4.12Å; A19-C52 HydrophobicContact CB-CB 4.19Å; A19-F53 HydrophobicContact CB-CE2 3.84Å; A19-F53 HydrophobicContact CB-CZ 4.39Å; A19-T93 CarbonylContact O-C 3.56Å; A19-T93 WeakPolarHBondContact O-CA 3.47Å; A19-T93 VanDerWaalsContact O-CB 3.27Å; A19-T93 WeakPolarHBondContact O-CB 3.34Å; A19-C94 PolarHBondContact N-O 2.72Å; A19-C94 PolarHBondContact O-N 3.19Å
20T90.6Very high84.3Confident37 Ų3753.5 Ų53.523%0.22728%0.278CS..EExtended strand (participates in β ladder)trans-97.9135.4174.8520000111.7P29 G30 K32 F53 T93T20-P29 VanDerWaalsContact O-CA 3.27Å; T20-P29 WeakPolarHBondContact O-CA 3.33Å; T20-P29 WeakPolarHBondContact O-CB 3.41Å; T20-G30 WeakPolarHBondContact CB-O 3.33Å; T20-G30 PolarHBondContact N-O 3.29Å; T20-G30 WeakPolarHBondContact OG1-CA 3.42Å; T20-G30 PolarHBondContact OG1-N 3.47Å; T20-G30 VanDerWaalsContact OG1-N 3.12Å; T20-G30 PolarHBondContact OG1-O 3.23Å; T20-K32 HydrophobicContact CG2-CD 3.57Å; T20-K32 HydrophobicContact CG2-CG 3.62Å; T20-F53 WeakPolarHBondContact O-CE2 3.26Å; T20-T93 HydrophobicContact CG2-CG2 3.87Å
21C85.4Confident84.7Confident14 Ų1448 Ų4810%0.09526%0.256CS..PPolyproline II helixtrans-61.8123.5175.8-171.70000109.5F53 Q92C21-F53 HydrophobicContact CB-CD1 4.13Å; C21-F53 HydrophobicContact CB-CE1 3.68Å; C21-F53 HydrophobicContact CB-CZ 3.97Å; C21-F53 VanDerWaalsContact N-CZ 3.31Å; C21-Q92 HydrophobicContact CB-CB 4.05Å; C21-Q92 VanDerWaalsContact CB-O 3.28Å; C21-Q92 WeakPolarHBondContact CB-O 3.46Å; C21-Q92 PolarHBondContact N-O 2.86Å; C21-Q92 PolarHBondContact SG-OE1 2.9Å
22P82.9Confident84.8Confident13 Ų1349.9 Ų49.98%0.08427%0.266CS..PPolyproline II helixtrans-72.8134.5-176.728.3-34.3000111.5A24 K27 P29 I57P22-A24 PolarHBondContact O-N 2.89Å; P22-A24 VanDerWaalsContact O-N 3.14Å; P22-K27 HydrophobicContact CB-CB 4.29Å; P22-K27 WeakPolarHBondContact CB-O 2.97Å; P22-P29 HydrophobicContact CG-CB 4.49Å; P22-P29 HydrophobicContact CG-CG 4Å; P22-I57 HydrophobicContact CG-CD1 3.54Å
23V74.1Confident85Confident140 Ų14051 Ų5185%0.84827%0.271SS*.SBendtrans-66.4-17-173.6-170.80000113.3
24A71Confident85.1Confident33 Ų3353.5 Ų53.527%0.27328%0.282SS..SBendtrans-151.6159.1177.200000110.1P22 D26 K27P22-A24 PolarHBondContact O-N 2.89Å; P22-A24 VanDerWaalsContact O-N 3.14Å; A24-D26 PolarHBondContact O-N 3.16Å; A24-K27 PolarHBondContact O-N 3.33Å; A24-K27 VanDerWaalsContact O-N 3.14Å
25R67.3Low85.1Confident138 Ų13853 Ų5352%0.52128%0.278SS..THydrogen-bonded Turntrans-59-27.8179.7-69.8-176.1-178150.1-1.5113.6K27 D56 Q58R25-K27 VanDerWaalsContact C-N 3.32Å; R25-D56 IonicContact CZ-OD1 2.57Å; R25-D56 IonicContact CZ-OD2 3.66Å; R25-D56 IonicContact NE-OD1 2.84Å; R25-D56 PolarHBondContact NE-OD1 3.29Å; R25-D56 IonicContact NE-OD2 3.84Å; R25-D56 IonicContact NH2-OD1 2.72Å; R25-D56 PolarHBondContact NH2-OD1 3.36Å; R25-D56 IonicContact NH2-OD2 3.23Å; R25-D56 PolarHBondContact NH2-OD2 3.16Å; R25-Q58 HydrophobicContact CG-CG 4.18Å
26D69.2Low85Confident155 Ų15553.4 Ų53.483%0.82928%0.281SS*.THydrogen-bonded Turntrans-92.39.8-176.2-36.7-67.7000112.8A24A24-D26 PolarHBondContact O-N 3.16Å
27K79.1Confident84.6Confident137 Ų13759 Ų5960%0.59631%0.307SS*.SBendtrans-116.2142.2174.3-72.5-166.3173-169.60110.6P22 A24 R25P22-K27 HydrophobicContact CB-CB 4.29Å; P22-K27 WeakPolarHBondContact CB-O 2.97Å; A24-K27 PolarHBondContact O-N 3.33Å; A24-K27 VanDerWaalsContact O-N 3.14Å; R25-K27 VanDerWaalsContact C-N 3.32Å
28D81.9Confident84Confident86 Ų8663.6 Ų63.646%0.4633%0.332SS..PPolyproline II helixtrans-81148.7175.7-87.9-58.2000113.3G30 R50D28-G30 PolarHBondContact O-N 3.48Å; D28-R50 VanDerWaalsContact CG-NH2 3.26Å; D28-R50 IonicContact OD1-CZ 3.99Å; D28-R50 IonicContact OD1-NE 3.38Å; D28-R50 PolarHBondContact OD1-NE 2.96Å; D28-R50 IonicContact OD1-NH2 3.7Å; D28-R50 PolarHBondContact OD1-NH2 2.96Å; D28-R50 IonicContact OD2-CZ 3.82Å; D28-R50 IonicContact OD2-NE 3.67Å; D28-R50 IonicContact OD2-NH2 3.67Å; D28-R50 PolarHBondContact OD2-NH2 3.32Å
29P84.5Confident83.4Confident12 Ų1264.6 Ų64.68%0.07834%0.336CS..PPolyproline II helixtrans-68116.8175.1-13.428.6000110.1T20 P22 P49 R50 F53T20-P29 VanDerWaalsContact O-CA 3.27Å; T20-P29 WeakPolarHBondContact O-CA 3.33Å; T20-P29 WeakPolarHBondContact O-CB 3.41Å; P22-P29 HydrophobicContact CG-CB 4.49Å; P22-P29 HydrophobicContact CG-CG 4Å; P29-P49 HydrophobicContact CB-CB 3.76Å; P29-P49 HydrophobicContact CG-CB 4.18Å; P29-P49 WeakPolarHBondContact CG-O 3.21Å; P29-P49 WeakPolarHBondContact O-CB 3.45Å; P29-R50 HydrophobicContact CG-CG 4.44Å; P29-F53 HydrophobicContact CB-CD2 3.89Å; P29-F53 HydrophobicContact CB-CE2 3.91Å; P29-F53 HydrophobicContact CG-CD2 4Å
30G85.2Confident81.8Confident35 Ų3574.6 Ų74.636%0.36137%0.374SS..PPolyproline II helixtrans-80.2140.7-178.800000112.4T20 D28T20-G30 WeakPolarHBondContact CB-O 3.33Å; T20-G30 PolarHBondContact N-O 3.29Å; T20-G30 WeakPolarHBondContact OG1-CA 3.42Å; T20-G30 PolarHBondContact OG1-N 3.47Å; T20-G30 VanDerWaalsContact OG1-N 3.12Å; T20-G30 PolarHBondContact OG1-O 3.23Å; D28-G30 PolarHBondContact O-N 3.48Å
31V89.9Confident80.9Confident52 Ų5276 Ų7632%0.31538%0.38SS..EExtended strand (participates in β ladder)trans-83.6124.7173.6178.30000110W15 F17 E18 F33 Q34 P49W15-V31 HydrophobicContact CH2-CG2 4.48Å; F17-V31 HydrophobicContact CB-CG1 4.07Å; F17-V31 HydrophobicContact CD2-CG2 4.39Å; E18-V31 WeakPolarHBondContact O-CA 3.36Å; V31-F33 WeakPolarHBondContact CG1-O 3.33Å; V31-Q34 HydrophobicContact CG1-CB 4.04Å; V31-P49 HydrophobicContact CG2-CG 3.77Å
32K88Confident79.7Confident127 Ų12782.5 Ų82.555%0.55241%0.409SS*.EExtended strand (participates in β ladder)trans-87.8-41.7177.2-94.5173.8172.9-179.50113E18 T20 T93E18-K32 HydrophobicContact CB-CB 4.25Å; E18-K32 VanDerWaalsContact CD-CD 3.43Å; E18-K32 HydrophobicContact CG-CB 4.2Å; E18-K32 HydrophobicContact CG-CD 4.17Å; E18-K32 PolarHBondContact O-N 3.11Å; E18-K32 IonicContact OE1-NZ 2.81Å; E18-K32 PolarHBondContact OE1-NZ 2.72Å; E18-K32 WeakPolarHBondContact OE2-CB 3.45Å; E18-K32 VanDerWaalsContact OE2-CD 3.28Å; E18-K32 WeakPolarHBondContact OE2-CD 3.23Å; T20-K32 HydrophobicContact CG2-CD 3.57Å; T20-K32 HydrophobicContact CG2-CG 3.62Å; K32-T93 HydrophobicContact CD-CG2 4.13Å; K32-T93 VanDerWaalsContact NZ-CG2 3.28Å
33F89.1Confident78.9Confident29 Ų2983.9 Ų83.913%0.12743%0.426CS..EExtended strand (participates in β ladder)trans-143.3141.2-174.8179.3-89.6000107.9F16 F17 E18 V31 F35 I123 I126 K127 L130F16-F33 HydrophobicContact CD1-CD1 4.04Å; F16-F33 AromaticContact CD1-CE1 3.86Å; F16-F33 HydrophobicContact CD1-CE1 3.86Å; F16-F33 AromaticContact CE1-CD1 3.68Å; F16-F33 HydrophobicContact CE1-CD1 3.68Å; F16-F33 AromaticContact CE1-CE1 3.67Å; F16-F33 HydrophobicContact CE1-CE1 3.67Å; F17-F33 CarbonylContact C-O 3.55Å; F17-F33 VanDerWaalsContact CA-O 3.24Å; F17-F33 WeakPolarHBondContact CA-O 3.18Å; E18-F33 HydrophobicContact CB-CB 4.27Å; E18-F33 PolarHBondContact N-O 3.43Å; V31-F33 WeakPolarHBondContact CG1-O 3.33Å; F33-F35 HydrophobicContact CE1-CB 4.48Å; F33-I123 HydrophobicContact CE2-CG2 3.85Å; F33-I126 HydrophobicContact CE1-CG2 4.03Å; F33-I126 HydrophobicContact CZ-CG2 3.95Å; F33-K127 HydrophobicContact CE2-CG 4.28Å; F33-K127 HydrophobicContact CZ-CG 3.96Å; F33-L130 HydrophobicContact CE1-CD1 4.11Å
34Q92.3Very high78.8Confident53 Ų5378 Ų7825%0.24839%0.391CS..EExtended strand (participates in β ladder)trans-144.8154.1174.669.5179.823.900112.5F16 F17 V31 E37F16-Q34 CarbonylContact O-C 3.5Å; F16-Q34 VanDerWaalsContact O-CA 3.26Å; F16-Q34 WeakPolarHBondContact O-CA 3.49Å; F17-Q34 HydrophobicContact CB-CB 4.29Å; V31-Q34 HydrophobicContact CG1-CB 4.04Å; Q34-E37 PolarHBondContact NE2-O 2.91Å
35F91.4Very high78.9Confident25 Ų2578.1 Ų78.111%0.1139%0.39CS..EExtended strand (participates in β ladder)trans-143128.7172.2-170-82.4000110.7F13 F16 F33 L130 A131 Y134F13-F35 HydrophobicContact CE2-CD1 4.11Å; F13-F35 AromaticContact CZ-CD1 3.87Å; F13-F35 HydrophobicContact CZ-CD1 3.87Å; F13-F35 HydrophobicContact CZ-CE1 4.26Å; F16-F35 HydrophobicContact CB-CB 4.43Å; F16-F35 HydrophobicContact CD1-CB 4.43Å; F16-F35 PolarHBondContact N-O 3.3Å; F16-F35 PolarHBondContact O-N 3.12Å; F33-F35 HydrophobicContact CE1-CB 4.48Å; F35-L130 HydrophobicContact CB-CB 4.37Å; F35-L130 HydrophobicContact CB-CD1 3.8Å; F35-L130 HydrophobicContact CD1-CB 3.75Å; F35-L130 HydrophobicContact CD2-CB 4.1Å; F35-L130 HydrophobicContact CE1-CB 4.09Å; F35-L130 HydrophobicContact CE2-CB 4.4Å; F35-L130 HydrophobicContact CG-CB 3.77Å; F35-L130 HydrophobicContact CG-CD1 4.09Å; F35-L130 HydrophobicContact CZ-CB 4.42Å; F35-A131 HydrophobicContact CE2-CB 4.09Å; F35-A131 VanDerWaalsContact CZ-CA 3.45Å; F35-A131 HydrophobicContact CZ-CB 3.7Å; F35-Y134 HydrophobicContact CE1-CD1 4.02Å; F35-Y134 AromaticContact CE1-CG 3.89Å; F35-Y134 HydrophobicContact CE1-CG 3.89Å
36P90.4Very high79.3Confident10 Ų1077.8 Ų77.87%0.06539%0.394CS..SBendcis-60.5156.6-6.3-22.534.4000113.1D38 Y134P36-D38 VanDerWaalsContact C-N 3.31Å; P36-Y134 HydrophobicContact CG-CD1 4.31Å; P36-Y134 HydrophobicContact CG-CE1 3.6Å; P36-Y134 HydrophobicContact CG-CE2 3.95Å; P36-Y134 WeakPolarHBondContact CG-OH 3.45Å
37E85.8Confident79.8Confident117 Ų11773.4 Ų73.455%0.54737%0.373SS..THydrogen-bonded Turntrans-67.1-35.1177.1-66.3-179.7-171.100111.3Q34 F39 K127Q34-E37 PolarHBondContact NE2-O 2.91Å; E37-F39 PolarHBondContact O-N 3.34Å; E37-K127 VanDerWaalsContact OE1-CE 3.23Å; E37-K127 WeakPolarHBondContact OE1-CE 3.06Å; E37-K127 IonicContact OE1-NZ 3.82Å; E37-K127 PolarHBondContact OE1-NZ 3.35Å
38D81Confident80.2Confident97 Ų9767.3 Ų67.352%0.51935%0.347SS..THydrogen-bonded Turntrans-92.227.8-179.781.9-51.1000114.1P36 R40P36-D38 VanDerWaalsContact C-N 3.31Å; D38-R40 WeakPolarHBondContact O-CG 3.38Å; D38-R40 PolarHBondContact O-N 3.4Å; D38-R40 VanDerWaalsContact O-N 3.11Å; D38-R40 IonicContact OD2-CZ 2.69Å; D38-R40 IonicContact OD2-NE 3.96Å; D38-R40 PolarHBondContact OD2-NE 2.71Å; D38-R40 IonicContact OD2-NH2 3.4Å; D38-R40 PolarHBondContact OD2-NH2 3.02Å
39F79.8Confident80.6Confident47 Ų4763.2 Ų63.221%0.20633%0.325CS..  trans-58.7114.1-179.3-177.1-100.8000112.1W15 E37 D41W15-F39 HydrophobicContact CB-CD2 3.97Å; W15-F39 HydrophobicContact CB-CE2 3.72Å; W15-F39 HydrophobicContact CB-CZ 4.02Å; W15-F39 AromaticContact CD1-CD1 3.86Å; W15-F39 AromaticContact CD1-CD2 3.7Å; W15-F39 AromaticContact CD1-CG 3.49Å; W15-F39 VanDerWaalsContact CD1-CG 3.49Å; W15-F39 AromaticContact CD2-CD1 3.86Å; W15-F39 HydrophobicContact CD2-CD1 3.86Å; W15-F39 AromaticContact CD2-CE1 3.79Å; W15-F39 HydrophobicContact CD2-CE1 3.79Å; W15-F39 HydrophobicContact CD2-CG 4.25Å; W15-F39 HydrophobicContact CD2-CZ 4.13Å; W15-F39 AromaticContact CE2-CD1 3.75Å; W15-F39 HydrophobicContact CE3-CD1 4.48Å; W15-F39 HydrophobicContact CE3-CE1 4.01Å; W15-F39 HydrophobicContact CE3-CZ 4.34Å; W15-F39 AromaticContact CG-CD1 3.98Å; W15-F39 HydrophobicContact CG-CD1 3.98Å; W15-F39 AromaticContact CG-CD2 3.84Å; W15-F39 HydrophobicContact CG-CD2 3.84Å; W15-F39 HydrophobicContact CG-CE1 4.04Å; W15-F39 AromaticContact CG-CE2 3.92Å; W15-F39 HydrophobicContact CG-CE2 3.92Å; W15-F39 AromaticContact CG-CG 3.88Å; W15-F39 HydrophobicContact CG-CG 3.88Å; W15-F39 HydrophobicContact CG-CZ 4.01Å; W15-F39 HydrophobicContact CZ2-CD1 4.34Å; W15-F39 AromaticContact NE1-CD1 3.71Å; W15-F39 AromaticContact NE1-CG 3.67Å; E37-F39 PolarHBondContact O-N 3.34Å; F39-D41 HydrophobicContact CE1-CB 3.79Å; F39-D41 HydrophobicContact CZ-CB 4.02Å; F39-D41 PolarHBondContact O-N 3.18Å
40R58.3Low80.9Confident209 Ų20966.5 Ų66.579%0.78934%0.336SS*.  trans-91.67.5-160-54.9-166179.6-139.3-6.5116.9D38 E42D38-R40 WeakPolarHBondContact O-CG 3.38Å; D38-R40 PolarHBondContact O-N 3.4Å; D38-R40 VanDerWaalsContact O-N 3.11Å; D38-R40 IonicContact OD2-CZ 2.69Å; D38-R40 IonicContact OD2-NE 3.96Å; D38-R40 PolarHBondContact OD2-NE 2.71Å; D38-R40 IonicContact OD2-NH2 3.4Å; D38-R40 PolarHBondContact OD2-NH2 3.02Å; R40-E42 PolarHBondContact O-N 2.69Å
41D72.4Confident81.2Confident67 Ų6765.7 Ų65.736%0.35832%0.323SS..  trans-97.288.9178.4-174.3-11.5000110.1F39 G43 S44 S45F39-D41 HydrophobicContact CE1-CB 3.79Å; F39-D41 HydrophobicContact CZ-CB 4.02Å; F39-D41 PolarHBondContact O-N 3.18Å; D41-G43 PolarHBondContact O-N 3.29Å; D41-G43 PolarHBondContact OD1-N 2.96Å; D41-G43 VanDerWaalsContact OD1-N 3.16Å; D41-S44 PolarHBondContact O-N 3.27Å; D41-S44 PolarHBondContact OD1-N 2.68Å; D41-S44 VanDerWaalsContact OD2-CB 3.24Å; D41-S44 WeakPolarHBondContact OD2-CB 3.39Å; D41-S44 PolarHBondContact OD2-OG 3.07Å; D41-S45 PolarHBondContact O-N 2.68Å
42E61Low81.4Confident150 Ų15063.2 Ų63.270%0.70131%0.308SS*.Hα-helixtrans-64.2-23.5179.2-63.5-172.1157.800113.3R40 S45 Q46R40-E42 PolarHBondContact O-N 2.69Å; E42-S45 PolarHBondContact O-OG 3.04Å; E42-Q46 WeakPolarHBondContact O-CG 3.46Å; E42-Q46 PolarHBondContact O-NE2 2.95Å
43G65.5Low81.6Confident43 Ų4357.5 Ų57.544%0.44328%0.283SS..Hα-helixtrans-75.3-45.5174.400000111.3D41 T47D41-G43 PolarHBondContact O-N 3.29Å; D41-G43 PolarHBondContact OD1-N 2.96Å; D41-G43 VanDerWaalsContact OD1-N 3.16Å; G43-T47 WeakPolarHBondContact O-CB 3.24Å; G43-T47 WeakPolarHBondContact O-CG2 3.5Å; G43-T47 PolarHBondContact O-N 2.97Å; G43-T47 PolarHBondContact O-OG1 3.45Å
44S71.6Confident81.8Confident17 Ų1756.1 Ų56.112%0.11928%0.277CS..Hα-helixtrans-64.9-42.2174.1-75.50000112.4D41 Q46 T47 L48D41-S44 PolarHBondContact O-N 3.27Å; D41-S44 PolarHBondContact OD1-N 2.68Å; D41-S44 VanDerWaalsContact OD2-CB 3.24Å; D41-S44 WeakPolarHBondContact OD2-CB 3.39Å; D41-S44 PolarHBondContact OD2-OG 3.07Å; S44-Q46 PolarHBondContact O-N 3.18Å; S44-T47 PolarHBondContact O-N 3.38Å; S44-L48 VanDerWaalsContact O-CB 3.26Å; S44-L48 WeakPolarHBondContact O-CB 3.37Å; S44-L48 VanDerWaalsContact O-CG 3.27Å; S44-L48 WeakPolarHBondContact O-CG 3.41Å; S44-L48 PolarHBondContact O-N 3.49Å
45S73.3Confident81.6Confident35 Ų3554.2 Ų54.225%0.24527%0.267CS..Hα-helixtrans-64.6-28-175.169.70000113.6D41 E42 P49D41-S45 PolarHBondContact O-N 2.68Å; E42-S45 PolarHBondContact O-OG 3.04Å; S45-P49 WeakPolarHBondContact O-CD 3.39Å; S45-P49 WeakPolarHBondContact O-CG 3.28Å
46Q75.5Confident81.5Confident130 Ų13053.3 Ų53.361%0.60726%0.263SS*.Hα-helixtrans-85.8-38.6175.1-64.2175.843.100113E42 S44E42-Q46 WeakPolarHBondContact O-CG 3.46Å; E42-Q46 PolarHBondContact O-NE2 2.95Å; S44-Q46 PolarHBondContact O-N 3.18Å
47T80.5Confident81.2Confident64 Ų6455 Ų5539%0.39327%0.271SS..Hα-helixtrans-91.9-36.9-170.8580000114.1G43 S44 R50G43-T47 WeakPolarHBondContact O-CB 3.24Å; G43-T47 WeakPolarHBondContact O-CG2 3.5Å; G43-T47 PolarHBondContact O-N 2.97Å; G43-T47 PolarHBondContact O-OG1 3.45Å; S44-T47 PolarHBondContact O-N 3.38Å; T47-R50 VanDerWaalsContact O-CB 3.24Å; T47-R50 WeakPolarHBondContact O-CB 3.27Å; T47-R50 WeakPolarHBondContact O-CG 3.14Å; T47-R50 PolarHBondContact O-N 3.1Å; T47-R50 VanDerWaalsContact O-N 3.16Å
48L87.3Confident80.9Confident8 Ų854.7 Ų54.74%0.04227%0.27CS..G310 helixtrans-66.8-33.4-175.7-61.6-170.9000114.8W15 S44 R50 F51 L73 L98W15-L48 HydrophobicContact CE3-CD1 4.31Å; W15-L48 HydrophobicContact CZ3-CB 4.1Å; W15-L48 HydrophobicContact CZ3-CD1 4.14Å; S44-L48 VanDerWaalsContact O-CB 3.26Å; S44-L48 WeakPolarHBondContact O-CB 3.37Å; S44-L48 VanDerWaalsContact O-CG 3.27Å; S44-L48 WeakPolarHBondContact O-CG 3.41Å; S44-L48 PolarHBondContact O-N 3.49Å; L48-R50 PolarHBondContact O-N 3.1Å; L48-F51 HydrophobicContact CD2-CD2 4.36Å; L48-F51 HydrophobicContact CD2-CE2 4.46Å; L48-F51 WeakPolarHBondContact O-CB 3.27Å; L48-F51 PolarHBondContact O-N 2.89Å; L48-L73 HydrophobicContact CD1-CD1 3.75Å; L48-L73 HydrophobicContact CD2-CD1 3.43Å; L48-L73 VanDerWaalsContact CD2-CD1 3.43Å; L48-L73 HydrophobicContact CD2-CD2 3.67Å; L48-L73 HydrophobicContact CD2-CG 4.19Å; L48-L73 HydrophobicContact CG-CD1 4.25Å; L48-L98 HydrophobicContact CD1-CD2 3.96Å
49P90.3Very high80.6Confident0 Ų056.2 Ų56.20%027%0.269CS..G310 helixtrans-56.1-23.5172.3-28.137.3000113.9F17 A19 P29 V31 S45 F51 C52F17-P49 HydrophobicContact CE2-CB 4.39Å; F17-P49 HydrophobicContact CE2-CG 4.15Å; A19-P49 HydrophobicContact CB-CB 4.12Å; P29-P49 HydrophobicContact CB-CB 3.76Å; P29-P49 HydrophobicContact CG-CB 4.18Å; P29-P49 WeakPolarHBondContact CG-O 3.21Å; P29-P49 WeakPolarHBondContact O-CB 3.45Å; V31-P49 HydrophobicContact CG2-CG 3.77Å; S45-P49 WeakPolarHBondContact O-CD 3.39Å; S45-P49 WeakPolarHBondContact O-CG 3.28Å; P49-F51 PolarHBondContact O-N 2.91Å; P49-C52 WeakPolarHBondContact O-CB 3.21Å; P49-C52 PolarHBondContact O-N 3.16Å
50R90.1Very high80Confident82 Ų8256.8 Ų56.831%0.30927%0.272SS..G310 helixtrans-65.8-23.8173.2-57.4-179.6170.8-161.1-8.2113.5D28 P29 T47 L48 C52 H254D28-R50 VanDerWaalsContact CG-NH2 3.26Å; D28-R50 IonicContact OD1-CZ 3.99Å; D28-R50 IonicContact OD1-NE 3.38Å; D28-R50 PolarHBondContact OD1-NE 2.96Å; D28-R50 IonicContact OD1-NH2 3.7Å; D28-R50 PolarHBondContact OD1-NH2 2.96Å; D28-R50 IonicContact OD2-CZ 3.82Å; D28-R50 IonicContact OD2-NE 3.67Å; D28-R50 IonicContact OD2-NH2 3.67Å; D28-R50 PolarHBondContact OD2-NH2 3.32Å; P29-R50 HydrophobicContact CG-CG 4.44Å; T47-R50 VanDerWaalsContact O-CB 3.24Å; T47-R50 WeakPolarHBondContact O-CB 3.27Å; T47-R50 WeakPolarHBondContact O-CG 3.14Å; T47-R50 PolarHBondContact O-N 3.1Å; T47-R50 VanDerWaalsContact O-N 3.16Å; L48-R50 PolarHBondContact O-N 3.1Å; R50-C52 VanDerWaalsContact C-N 3.33Å; R50-H254 VanDerWaalsContact CB-CE1 3.46Å; R50-H254 WeakPolarHBondContact CB-CE1 3.1Å; R50-H254 VanDerWaalsContact CD-CE1 3.41Å; R50-H254 WeakPolarHBondContact CD-CE1 3.17Å
51F92.6Very high79.8Confident18 Ų1856.7 Ų56.78%0.07927%0.272CS..G310 helixtrans-79.7-15.5175.2-73.1-101.4000112.9L48 P49 F53 P54 F71 L73 P252 L255L48-F51 HydrophobicContact CD2-CD2 4.36Å; L48-F51 HydrophobicContact CD2-CE2 4.46Å; L48-F51 WeakPolarHBondContact O-CB 3.27Å; L48-F51 PolarHBondContact O-N 2.89Å; P49-F51 PolarHBondContact O-N 2.91Å; F51-F53 VanDerWaalsContact C-N 3.29Å; F51-P54 WeakPolarHBondContact O-CD 3.49Å; F51-F71 HydrophobicContact CB-CB 4.48Å; F51-F71 HydrophobicContact CB-CD1 3.69Å; F51-F71 HydrophobicContact CB-CD2 3.93Å; F51-F71 HydrophobicContact CB-CE1 3.69Å; F51-F71 HydrophobicContact CB-CE2 3.95Å; F51-F71 HydrophobicContact CB-CG 3.8Å; F51-F71 HydrophobicContact CB-CZ 3.83Å; F51-F71 HydrophobicContact CD1-CB 4.22Å; F51-F71 HydrophobicContact CD1-CD2 4Å; F51-F71 HydrophobicContact CD1-CG 4.15Å; F51-F71 HydrophobicContact CG-CD2 4.14Å; F51-F71 HydrophobicContact CG-CE2 4.29Å; F51-F71 HydrophobicContact CG-CG 4.34Å; F51-L73 HydrophobicContact CE1-CD2 4.22Å; F51-L73 HydrophobicContact CE2-CD2 4.25Å; F51-L73 HydrophobicContact CZ-CD2 4.08Å; F51-P252 HydrophobicContact CD1-CG 4Å; F51-P252 HydrophobicContact CD2-CG 4.37Å; F51-P252 HydrophobicContact CE1-CG 3.85Å; F51-P252 HydrophobicContact CE2-CG 4.23Å; F51-P252 HydrophobicContact CG-CG 4.27Å; F51-P252 HydrophobicContact CZ-CG 3.98Å; F51-L255 HydrophobicContact CE1-CD1 4.29Å; F51-L255 HydrophobicContact CE2-CD1 4.34Å; F51-L255 HydrophobicContact CZ-CD1 3.61Å
52C93Very high79Confident0 Ų060.7 Ų60.70%029%0.293CS..G310 helixtrans-74.8-18.5172.6-62.70000113.3F17 A19 P49 R50 P54 C94F17-C52 VanDerWaalsContact CE2-SG 3.55Å; A19-C52 HydrophobicContact CB-CB 4.19Å; P49-C52 WeakPolarHBondContact O-CB 3.21Å; P49-C52 PolarHBondContact O-N 3.16Å; R50-C52 VanDerWaalsContact C-N 3.33Å; C52-P54 VanDerWaalsContact C-CD 3.48Å; C52-C94 HydrophobicContact CB-CB 3.82Å
53F92.2Very high78.8Confident7 Ų755.2 Ų55.23%0.03128%0.277CS..SBendtrans-129.960.5179.3-52.3-77.1000111.8A19 T20 C21 P29 F51 Y55 I57 L87 C94A19-F53 HydrophobicContact CB-CE2 3.84Å; A19-F53 HydrophobicContact CB-CZ 4.39Å; T20-F53 WeakPolarHBondContact O-CE2 3.26Å; C21-F53 HydrophobicContact CB-CD1 4.13Å; C21-F53 HydrophobicContact CB-CE1 3.68Å; C21-F53 HydrophobicContact CB-CZ 3.97Å; C21-F53 VanDerWaalsContact N-CZ 3.31Å; P29-F53 HydrophobicContact CB-CD2 3.89Å; P29-F53 HydrophobicContact CB-CE2 3.91Å; P29-F53 HydrophobicContact CG-CD2 4Å; F51-F53 VanDerWaalsContact C-N 3.29Å; F53-Y55 HydrophobicContact CB-CE1 4.2Å; F53-Y55 HydrophobicContact CD1-CE1 4.33Å; F53-Y55 PolarHBondContact O-N 3.28Å; F53-I57 HydrophobicContact CB-CD1 4.13Å; F53-L87 HydrophobicContact CD1-CD1 3.95Å; F53-L87 HydrophobicContact CE1-CD1 3.57Å; F53-C94 HydrophobicContact CE1-CB 4.01Å; F53-C94 HydrophobicContact CE2-CB 4.45Å; F53-C94 HydrophobicContact CZ-CB 3.75Å
54P92.6Very high78.2Confident0 Ų060.5 Ų60.50%030%0.3CS..  trans-8546.4-167.838.6-38.7000112.8F51 C52 F69 L224 V250 P252F51-P54 WeakPolarHBondContact O-CD 3.49Å; C52-P54 VanDerWaalsContact C-CD 3.48Å; P54-F69 HydrophobicContact CG-CE2 4.23Å; P54-F69 HydrophobicContact CG-CZ 4.39Å; P54-L224 HydrophobicContact CG-CD1 4.27Å; P54-L224 HydrophobicContact CG-CD2 4.08Å; P54-V250 HydrophobicContact CB-CG1 4.41Å; P54-V250 HydrophobicContact CB-CG2 3.72Å; P54-V250 HydrophobicContact CG-CB 4.42Å; P54-V250 HydrophobicContact CG-CG1 4.02Å; P54-V250 HydrophobicContact CG-CG2 3.52Å; P54-P252 HydrophobicContact CB-CB 4.03Å
55Y89.5Confident78.4Confident12 Ų1262.4 Ų62.45%0.04732%0.317CS..SBendtrans-146165.7-174.454.3-93.8000111.5F53 I57 Q60 L87 L224 P253 H270F53-Y55 HydrophobicContact CB-CE1 4.2Å; F53-Y55 HydrophobicContact CD1-CE1 4.33Å; F53-Y55 PolarHBondContact O-N 3.28Å; Y55-I57 HydrophobicContact CD2-CG1 3.99Å; Y55-I57 HydrophobicContact CE2-CB 4.46Å; Y55-I57 HydrophobicContact CE2-CG1 3.74Å; Y55-I57 PolarHBondContact O-N 3.17Å; Y55-I57 VanDerWaalsContact O-N 3.1Å; Y55-Q60 HydrophobicContact CD2-CB 4.18Å; Y55-Q60 HydrophobicContact CE2-CB 4.47Å; Y55-Q60 VanDerWaalsContact CG-OE1 3.26Å; Y55-L87 HydrophobicContact CE1-CD2 3.9Å; Y55-L224 HydrophobicContact CD1-CD1 3.98Å; Y55-L224 HydrophobicContact CE1-CD1 4.12Å; Y55-P253 WeakPolarHBondContact O-CG 3.28Å; Y55-H270 WeakPolarHBondContact CB-ND1 3.28Å
56D88.1Confident79Confident6 Ų662.8 Ų62.83%0.03232%0.318CS..  trans-77.895.2172.9-171.99.1000111.6R25 Q58 R59 Q60 S272 L273R25-D56 IonicContact CZ-OD1 2.57Å; R25-D56 IonicContact CZ-OD2 3.66Å; R25-D56 IonicContact NE-OD1 2.84Å; R25-D56 PolarHBondContact NE-OD1 3.29Å; R25-D56 IonicContact NE-OD2 3.84Å; R25-D56 IonicContact NH2-OD1 2.72Å; R25-D56 PolarHBondContact NH2-OD1 3.36Å; R25-D56 IonicContact NH2-OD2 3.23Å; R25-D56 PolarHBondContact NH2-OD2 3.16Å; D56-Q58 PolarHBondContact O-N 2.9Å; D56-Q58 VanDerWaalsContact O-N 3.1Å; D56-Q58 PolarHBondContact OD1-N 3.06Å; D56-R59 HydrophobicContact CB-CB 4.22Å; D56-R59 HydrophobicContact CB-CG 4.45Å; D56-R59 PolarHBondContact O-N 2.84Å; D56-R59 WeakPolarHBondContact OD2-CD 3.48Å; D56-R59 VanDerWaalsContact OD2-CG 3.23Å; D56-R59 WeakPolarHBondContact OD2-CG 3.24Å; D56-R59 IonicContact OD2-NE 3.35Å; D56-Q60 PolarHBondContact O-N 2.92Å; D56-S272 PolarHBondContact N-OG 3.1Å; D56-S272 VanDerWaalsContact N-OG 3.15Å; D56-L273 HydrophobicContact CB-CD2 3.89Å
57I84.1Confident79.7Confident45 Ų4558 Ų5823%0.23130%0.295CS..THydrogen-bonded Turntrans-55.4-26-179.6-61165.5000112.5P22 F53 Y55P22-I57 HydrophobicContact CG-CD1 3.54Å; F53-I57 HydrophobicContact CB-CD1 4.13Å; Y55-I57 HydrophobicContact CD2-CG1 3.99Å; Y55-I57 HydrophobicContact CE2-CB 4.46Å; Y55-I57 HydrophobicContact CE2-CG1 3.74Å; Y55-I57 PolarHBondContact O-N 3.17Å; Y55-I57 VanDerWaalsContact O-N 3.1Å
58Q79.4Confident80.3Confident112 Ų11255.4 Ų55.452%0.52328%0.279SS..THydrogen-bonded Turntrans-77.2-27.8176.8-68.9-175.5-14.400113.5R25 D56R25-Q58 HydrophobicContact CG-CG 4.18Å; D56-Q58 PolarHBondContact O-N 2.9Å; D56-Q58 VanDerWaalsContact O-N 3.1Å; D56-Q58 PolarHBondContact OD1-N 3.06Å
59R76.3Confident80.8Confident129 Ų12955 Ų5549%0.48728%0.277SS..THydrogen-bonded Turntrans-91.5-22.4-178.6-76.1179.7173.4-143.3-0.5113.4D56 E275D56-R59 HydrophobicContact CB-CB 4.22Å; D56-R59 HydrophobicContact CB-CG 4.45Å; D56-R59 PolarHBondContact O-N 2.84Å; D56-R59 WeakPolarHBondContact OD2-CD 3.48Å; D56-R59 VanDerWaalsContact OD2-CG 3.23Å; D56-R59 WeakPolarHBondContact OD2-CG 3.24Å; D56-R59 IonicContact OD2-NE 3.35Å; R59-E275 IonicContact CZ-OE1 2.65Å; R59-E275 IonicContact CZ-OE2 2.89Å; R59-E275 IonicContact NH1-OE1 2.76Å; R59-E275 PolarHBondContact NH1-OE1 2.94Å; R59-E275 IonicContact NH1-OE2 3.79Å; R59-E275 PolarHBondContact NH1-OE2 3.13Å; R59-E275 VanDerWaalsContact NH1-OE2 3.08Å; R59-E275 IonicContact NH2-OE1 3.17Å; R59-E275 IonicContact NH2-OE2 2.9Å; R59-E275 PolarHBondContact NH2-OE2 2.82Å
60Q67Low81.1Confident59 Ų5955 Ų5528%0.27628%0.277SS..  trans-102.3117.8-174.9-167.6157.914.400111.1Y55 D56 H270Y55-Q60 HydrophobicContact CD2-CB 4.18Å; Y55-Q60 HydrophobicContact CE2-CB 4.47Å; Y55-Q60 VanDerWaalsContact CG-OE1 3.26Å; D56-Q60 PolarHBondContact O-N 2.92Å; Q60-H270 VanDerWaalsContact CD-CE1 3.47Å; Q60-H270 PolarHBondContact NE2-CE1 3.04Å; Q60-H270 PolarHBondContact NE2-NE2 3.2Å; Q60-H270 PolarHBondContact OE1-CE1 3.3Å; Q60-H270 PolarHBondContact OE1-NE2 2.9Å
61R53.3Low81.5Confident207 Ų20751.1 Ų51.178%0.78126%0.262SS*.  trans-126.4150.9173.4-65.9-168-179-1640.9111G63R61-G63 PolarHBondContact O-N 2.86Å
62D55.3Low81.7Confident150 Ų15050.6 Ų50.680%0.80226%0.26SS*.  trans56.551.2154-48.5-30.8000117.6
63G57.5Low81.7Confident35 Ų3552 Ų5236%0.36127%0.267SS..  trans-88.8122.6157.300000111.1R61 N89R61-G63 PolarHBondContact O-N 2.86Å; G63-N89 VanDerWaalsContact O-CB 3.31Å; G63-N89 WeakPolarHBondContact O-CB 3.38Å; G63-N89 PolarHBondContact O-ND2 3.36Å
64V53.2Low81.8Confident154 Ų15455 Ų5593%0.93329%0.287SS*.  trans-77.7-26-177.8-178.40000113.1
65A74.6Confident81.7Confident58 Ų5855.7 Ų55.748%0.47929%0.29SS..SBendtrans-75.5146.3-174.200000113.8
66V85.6Confident81.6Confident43 Ų4363.7 Ų63.726%0.26133%0.333SS..  trans-64.4140.1163-173.10000108.5R86 T88V66-R86 HydrophobicContact CG1-CG 3.7Å; V66-T88 HydrophobicContact CB-CG2 4.48Å; V66-T88 HydrophobicContact CG1-CG2 4.19Å; V66-T88 HydrophobicContact CG2-CG2 3.93Å
67Q90.4Very high81.6Confident29 Ų2969.3 Ų69.314%0.13636%0.359CS..EExtended strand (participates in β ladder)trans-120.5129.3171.3-73.9-176.563.200111.1R86 L87Q67-R86 WeakPolarHBondContact O-CA 3.24Å; Q67-L87 PolarHBondContact N-O 2.84Å; Q67-L87 VanDerWaalsContact N-O 3.08Å; Q67-L87 PolarHBondContact O-N 3.37Å
68H94.8Very high81.7Confident10 Ų1068.5 Ų68.55%0.04636%0.361CS..EExtended strand (participates in β ladder)trans-98.5135.1166.4-56.991.2000109.7C85 Y108 N112 R190 S225H68-C85 VanDerWaalsContact CA-O 3.29Å; H68-C85 WeakPolarHBondContact CA-O 3.26Å; H68-Y108 HydrophobicContact CB-CD1 3.78Å; H68-Y108 HydrophobicContact CB-CD2 4.45Å; H68-Y108 HydrophobicContact CB-CE1 3.79Å; H68-Y108 HydrophobicContact CB-CE2 4.46Å; H68-Y108 HydrophobicContact CB-CG 4.11Å; H68-Y108 AromaticContact CD2-CD1 3.92Å; H68-N112 PolarHBondContact CE1-OD1 2.89Å; H68-N112 PolarHBondContact NE2-OD1 2.88Å; H68-R190 PolarHBondContact ND1-NH1 2.61Å; H68-S225 WeakPolarHBondContact O-CA 3.34Å; H68-S225 WeakPolarHBondContact O-CB 3.19Å
69F96.4Very high82.3Confident0 Ų064.1 Ų64.10%034%0.343CS..EExtended strand (participates in β ladder)trans-151.3162.3174.169.4-88.8000110.1P54 F71 C85 L87 L224 T228 V250P54-F69 HydrophobicContact CG-CE2 4.23Å; P54-F69 HydrophobicContact CG-CZ 4.39Å; F69-F71 HydrophobicContact CE2-CD1 4.3Å; F69-C85 HydrophobicContact CD1-CB 3.78Å; F69-C85 HydrophobicContact CD2-CB 4.05Å; F69-C85 HydrophobicContact CE1-CB 3.52Å; F69-C85 HydrophobicContact CE2-CB 3.81Å; F69-C85 HydrophobicContact CG-CB 4.05Å; F69-C85 HydrophobicContact CZ-CB 3.54Å; F69-C85 PolarHBondContact N-O 2.81Å; F69-C85 VanDerWaalsContact N-O 3.12Å; F69-C85 WeakPolarHBondContact O-CB 3.49Å; F69-C85 PolarHBondContact O-N 3.44Å; F69-L87 HydrophobicContact CE1-CB 4.18Å; F69-L224 HydrophobicContact CB-CB 3.85Å; F69-L224 WeakPolarHBondContact CB-O 3.26Å; F69-L224 HydrophobicContact CD1-CB 3.82Å; F69-L224 HydrophobicContact CD1-CD1 3.84Å; F69-L224 HydrophobicContact CE1-CB 4.48Å; F69-L224 HydrophobicContact CE1-CD1 3.65Å; F69-L224 HydrophobicContact CG-CB 3.85Å; F69-L224 HydrophobicContact CG-CD1 4.41Å; F69-L224 HydrophobicContact CZ-CD1 4.08Å; F69-T228 WeakPolarHBondContact CA-OG1 3.3Å; F69-T228 HydrophobicContact CB-CG2 4.04Å; F69-T228 WeakPolarHBondContact CB-OG1 3.47Å; F69-T228 HydrophobicContact CD2-CG2 4.23Å; F69-V250 HydrophobicContact CD2-CG1 4.14Å; F69-V250 HydrophobicContact CE2-CG1 4.2Å
70T97.8Very high83.2Confident0 Ų058.8 Ų58.80%032%0.324CS..EExtended strand (participates in β ladder)trans-131.3109177.9-62.30000111.3F82 G83 F84 F104 Y108 T228 H232T70-F82 HydrophobicContact CG2-CB 3.86Å; T70-F82 HydrophobicContact CG2-CD1 4.02Å; T70-F82 HydrophobicContact CG2-CG 4.45Å; T70-G83 WeakPolarHBondContact CA-O 3.23Å; T70-F84 HydrophobicContact CG2-CD1 3.88Å; T70-F84 HydrophobicContact CG2-CE1 3.92Å; T70-F84 HydrophobicContact CG2-CG 4.41Å; T70-F84 WeakPolarHBondContact OG1-CD1 3.48Å; T70-F104 HydrophobicContact CG2-CD1 4.34Å; T70-F104 HydrophobicContact CG2-CE1 3.82Å; T70-Y108 PolarHBondContact OG1-OH 2.81Å; T70-T228 PolarHBondContact N-OG1 3.1Å; T70-T228 WeakPolarHBondContact O-CG2 3.24Å; T70-H232 PolarHBondContact O-NE2 2.62Å
71F97.1Very high84.4Confident0 Ų059.3 Ų59.30%032%0.323CS..EExtended strand (participates in β ladder)trans-77.6162.8167.569.2-100.8000110.6F51 F69 L73 G83 C85 V250F51-F71 HydrophobicContact CB-CB 4.48Å; F51-F71 HydrophobicContact CB-CD1 3.69Å; F51-F71 HydrophobicContact CB-CD2 3.93Å; F51-F71 HydrophobicContact CB-CE1 3.69Å; F51-F71 HydrophobicContact CB-CE2 3.95Å; F51-F71 HydrophobicContact CB-CG 3.8Å; F51-F71 HydrophobicContact CB-CZ 3.83Å; F51-F71 HydrophobicContact CD1-CB 4.22Å; F51-F71 HydrophobicContact CD1-CD2 4Å; F51-F71 HydrophobicContact CD1-CG 4.15Å; F51-F71 HydrophobicContact CG-CD2 4.14Å; F51-F71 HydrophobicContact CG-CE2 4.29Å; F51-F71 HydrophobicContact CG-CG 4.34Å; F69-F71 HydrophobicContact CE2-CD1 4.3Å; F71-L73 HydrophobicContact CD2-CD2 4.01Å; F71-L73 HydrophobicContact CD2-CG 4.21Å; F71-L73 HydrophobicContact CE2-CD1 4.25Å; F71-L73 HydrophobicContact CE2-CD2 3.86Å; F71-L73 HydrophobicContact CE2-CG 3.92Å; F71-G83 WeakPolarHBondContact CD1-O 3.46Å; F71-G83 PolarHBondContact N-O 3.33Å; F71-G83 PolarHBondContact O-N 3.11Å; F71-C85 VanDerWaalsContact CE1-SG 3.51Å; F71-V250 HydrophobicContact CB-CG1 3.82Å
72V96.9Very high86.5Confident6 Ų649.7 Ų49.74%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-130.1138.1173.7165.40000110.5Q80 R81 F82 F247 P249V72-Q80 HydrophobicContact CG1-CB 3.78Å; V72-Q80 HydrophobicContact CG1-CG 3.84Å; V72-R81 CarbonylContact C-O 3.5Å; V72-R81 VanDerWaalsContact CA-O 3.3Å; V72-R81 WeakPolarHBondContact CA-O 3.43Å; V72-F82 HydrophobicContact CG2-CD1 3.44Å; V72-F82 VanDerWaalsContact CG2-CD1 3.44Å; V72-F82 HydrophobicContact CG2-CE1 3.71Å; V72-F82 HydrophobicContact CG2-CG 4.2Å; V72-F247 HydrophobicContact CB-CD1 4.41Å; V72-F247 HydrophobicContact CB-CE1 4.32Å; V72-F247 HydrophobicContact CG1-CD1 4.19Å; V72-F247 HydrophobicContact CG1-CE1 4.41Å; V72-F247 HydrophobicContact CG2-CE1 4.2Å; V72-P249 HydrophobicContact CB-CG 3.99Å; V72-P249 HydrophobicContact CG2-CG 4.01Å
73L94.1Very high88.5Confident29 Ų2942.5 Ų42.515%0.15225%0.249CC..EExtended strand (participates in β ladder)trans-104.5141.6166.3-45171.2000107.9L48 F51 F71 R81 L98L48-L73 HydrophobicContact CD1-CD1 3.75Å; L48-L73 HydrophobicContact CD2-CD1 3.43Å; L48-L73 VanDerWaalsContact CD2-CD1 3.43Å; L48-L73 HydrophobicContact CD2-CD2 3.67Å; L48-L73 HydrophobicContact CD2-CG 4.19Å; L48-L73 HydrophobicContact CG-CD1 4.25Å; F51-L73 HydrophobicContact CE1-CD2 4.22Å; F51-L73 HydrophobicContact CE2-CD2 4.25Å; F51-L73 HydrophobicContact CZ-CD2 4.08Å; F71-L73 HydrophobicContact CD2-CD2 4.01Å; F71-L73 HydrophobicContact CD2-CG 4.21Å; F71-L73 HydrophobicContact CE2-CD1 4.25Å; F71-L73 HydrophobicContact CE2-CD2 3.86Å; F71-L73 HydrophobicContact CE2-CG 3.92Å; L73-R81 HydrophobicContact CB-CB 4.3Å; L73-R81 PolarHBondContact N-O 2.94Å; L73-R81 PolarHBondContact O-N 3.05Å; L73-L98 HydrophobicContact CD1-CD1 3.92Å; L73-L98 HydrophobicContact CD1-CD2 4.46Å
74T93.2Very high90.4Very high71 Ų7140.9 Ų40.944%0.43623%0.232SC..EExtended strand (participates in β ladder)trans-97130.6170.1-61.40000108.6R4 C79R4-T74 PolarHBondContact NH2-OG1 3.03Å; T74-C79 WeakPolarHBondContact CA-O 3.39Å
75D90.8Very high92.4Very high15 Ų1533.5 Ų33.58%0.0819%0.187CC..  trans-83.5177.3172.870.615.6000112.8K6 E77 G78 C79 Y100K6-D75 IonicContact NZ-OD1 2.69Å; K6-D75 IonicContact NZ-OD2 2.67Å; K6-D75 PolarHBondContact NZ-OD2 2.72Å; D75-E77 VanDerWaalsContact CG-OE2 3.28Å; D75-E77 PolarHBondContact O-N 3.24Å; D75-E77 WeakPolarHBondContact OD1-CA 3.4Å; D75-E77 PolarHBondContact OD1-N 2.9Å; D75-E77 VanDerWaalsContact OD1-N 3.12Å; D75-G78 PolarHBondContact O-N 3.08Å; D75-G78 PolarHBondContact OD1-N 3.25Å; D75-G78 VanDerWaalsContact OD1-N 3.16Å; D75-C79 PolarHBondContact N-O 3.4Å; D75-C79 WeakPolarHBondContact OD1-CA 3.42Å; D75-C79 WeakPolarHBondContact OD1-CB 3.31Å; D75-C79 PolarHBondContact OD1-N 3.4Å; D75-Y100 VanDerWaalsContact OD2-CE1 3.3Å; D75-Y100 WeakPolarHBondContact OD2-CE1 3.45Å; D75-Y100 PolarHBondContact OD2-OH 3.08Å
76L88.1Confident93.4Very high180 Ų18032.1 Ų32.194%0.94217%0.169SC*.THydrogen-bonded Turntrans-65.7-22.7-177.1-63.2175.8000112.1G78L76-G78 VanDerWaalsContact C-N 3.3Å
77E87.5Confident93.7Very high124 Ų12430.3 Ų30.358%0.57916%0.158SC*.THydrogen-bonded Turntrans-89.47.7176-4798.8105.600112.9K6 D75 C79K6-E77 IonicContact NZ-OE1 2.75Å; K6-E77 PolarHBondContact NZ-OE1 3.1Å; K6-E77 IonicContact NZ-OE2 2.64Å; D75-E77 VanDerWaalsContact CG-OE2 3.28Å; D75-E77 PolarHBondContact O-N 3.24Å; D75-E77 WeakPolarHBondContact OD1-CA 3.4Å; D75-E77 PolarHBondContact OD1-N 2.9Å; D75-E77 VanDerWaalsContact OD1-N 3.12Å; E77-C79 PolarHBondContact O-N 3.06Å
78G87.3Confident93.4Very high27 Ų2729.6 Ų29.628%0.27816%0.156SC..SBendtrans78.20.8178.100000114.9R4 D75 L76R4-G78 PolarHBondContact NE-O 2.57Å; R4-G78 PolarHBondContact NH2-O 3.14Å; D75-G78 PolarHBondContact O-N 3.08Å; D75-G78 PolarHBondContact OD1-N 3.25Å; D75-G78 VanDerWaalsContact OD1-N 3.16Å; L76-G78 VanDerWaalsContact C-N 3.3Å
79C91.6Very high92.3Very high21 Ų2131 Ų3114%0.14216%0.164CC..  trans-80.6155.4-177.2-59.40000112.4R4 K6 T74 D75 E77R4-C79 CarbonylContact O-C 3.58Å; R4-C79 WeakPolarHBondContact O-CA 3.45Å; K6-C79 HydrophobicContact CD-CB 3.69Å; T74-C79 WeakPolarHBondContact CA-O 3.39Å; D75-C79 PolarHBondContact N-O 3.4Å; D75-C79 WeakPolarHBondContact OD1-CA 3.42Å; D75-C79 WeakPolarHBondContact OD1-CB 3.31Å; D75-C79 PolarHBondContact OD1-N 3.4Å; E77-C79 PolarHBondContact O-N 3.06Å
80Q94.1Very high91.1Very high17 Ų1736.2 Ų36.28%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-93.1127.3-175.3-63.8178.4-14.100111.9R4 V72 F82 Y100 F247R4-Q80 HydrophobicContact CB-CG 4.13Å; R4-Q80 PolarHBondContact O-N 3.36Å; V72-Q80 HydrophobicContact CG1-CB 3.78Å; V72-Q80 HydrophobicContact CG1-CG 3.84Å; Q80-F82 HydrophobicContact CB-CE1 4.47Å; Q80-F82 HydrophobicContact CB-CE2 3.96Å; Q80-F82 HydrophobicContact CB-CZ 3.82Å; Q80-Y100 WeakPolarHBondContact O-CD1 3.38Å; Q80-F247 VanDerWaalsContact NE2-CD1 3.29Å
81R93.8Very high89.6Confident70 Ų7039.7 Ų39.726%0.26422%0.221SC..EExtended strand (participates in β ladder)trans-104.8122.1163.6-59.6175.7-170.5174.75.2108.5V72 L73 L98 Y100V72-R81 CarbonylContact C-O 3.5Å; V72-R81 VanDerWaalsContact CA-O 3.3Å; V72-R81 WeakPolarHBondContact CA-O 3.43Å; L73-R81 HydrophobicContact CB-CB 4.3Å; L73-R81 PolarHBondContact N-O 2.94Å; L73-R81 PolarHBondContact O-N 3.05Å; R81-L98 HydrophobicContact CB-CD1 4.05Å; R81-Y100 HydrophobicContact CG-CD1 3.72Å; R81-Y100 HydrophobicContact CG-CE1 3.38Å; R81-Y100 HydrophobicContact CG-CE2 4.35Å; R81-Y100 HydrophobicContact CG-CG 4.36Å; R81-Y100 VanDerWaalsContact NE-CZ 3.34Å; R81-Y100 PolarHBondContact NE-OH 2.83Å; R81-Y100 PolarHBondContact NH2-OH 2.99Å
82F96.2Very high88.9Confident4 Ų444.2 Ų44.22%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-92.5122.9-177.4-58.6-88.5000110.4L5 T70 V72 Q80 F84 L98 S99 P102 F104L5-F82 HydrophobicContact CD2-CE2 3.75Å; L5-F82 HydrophobicContact CD2-CZ 3.65Å; T70-F82 HydrophobicContact CG2-CB 3.86Å; T70-F82 HydrophobicContact CG2-CD1 4.02Å; T70-F82 HydrophobicContact CG2-CG 4.45Å; V72-F82 HydrophobicContact CG2-CD1 3.44Å; V72-F82 VanDerWaalsContact CG2-CD1 3.44Å; V72-F82 HydrophobicContact CG2-CE1 3.71Å; V72-F82 HydrophobicContact CG2-CG 4.2Å; Q80-F82 HydrophobicContact CB-CE1 4.47Å; Q80-F82 HydrophobicContact CB-CE2 3.96Å; Q80-F82 HydrophobicContact CB-CZ 3.82Å; F82-F84 HydrophobicContact CB-CD2 4.14Å; F82-F84 HydrophobicContact CB-CE1 4.16Å; F82-F84 HydrophobicContact CB-CE2 3.4Å; F82-F84 HydrophobicContact CB-CZ 3.4Å; F82-F84 VanDerWaalsContact CB-CZ 3.4Å; F82-F84 HydrophobicContact CG-CE2 4.39Å; F82-F84 HydrophobicContact CG-CZ 4.01Å; F82-L98 WeakPolarHBondContact O-CA 3.41Å; F82-S99 PolarHBondContact N-O 3.01Å; F82-S99 PolarHBondContact O-N 2.9Å; F82-P102 HydrophobicContact CD2-CB 4.46Å; F82-P102 HydrophobicContact CE1-CB 4.48Å; F82-P102 HydrophobicContact CE2-CB 3.95Å; F82-P102 HydrophobicContact CZ-CB 3.98Å; F82-F104 HydrophobicContact CD1-CZ 4.13Å; F82-F104 HydrophobicContact CE1-CZ 4.14Å
83G96.8Very high88.5Confident0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-98.387.8172.400000110.4T70 F71 C85 I97T70-G83 WeakPolarHBondContact CA-O 3.23Å; F71-G83 WeakPolarHBondContact CD1-O 3.46Å; F71-G83 PolarHBondContact N-O 3.33Å; F71-G83 PolarHBondContact O-N 3.11Å; G83-C85 PolarHBondContact O-N 3.28Å; G83-I97 CarbonylContact C-O 3.56Å
84F97.4Very high88.5Confident0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-72.3115178.5-56.8-83.4000109.1T70 F82 C96 I97 L101 F104 F107 Y108 L111T70-F84 HydrophobicContact CG2-CD1 3.88Å; T70-F84 HydrophobicContact CG2-CE1 3.92Å; T70-F84 HydrophobicContact CG2-CG 4.41Å; T70-F84 WeakPolarHBondContact OG1-CD1 3.48Å; F82-F84 HydrophobicContact CB-CD2 4.14Å; F82-F84 HydrophobicContact CB-CE1 4.16Å; F82-F84 HydrophobicContact CB-CE2 3.4Å; F82-F84 HydrophobicContact CB-CZ 3.4Å; F82-F84 VanDerWaalsContact CB-CZ 3.4Å; F82-F84 HydrophobicContact CG-CE2 4.39Å; F82-F84 HydrophobicContact CG-CZ 4.01Å; F84-C96 CarbonylContact O-C 3.53Å; F84-C96 VanDerWaalsContact O-CA 3.27Å; F84-C96 WeakPolarHBondContact O-CA 3.45Å; F84-I97 PolarHBondContact N-O 2.89Å; F84-I97 PolarHBondContact O-N 3.18Å; F84-L101 WeakPolarHBondContact CE2-O 3.39Å; F84-L101 VanDerWaalsContact CZ-O 3.31Å; F84-L101 WeakPolarHBondContact CZ-O 3.34Å; F84-F104 HydrophobicContact CD1-CD1 4.21Å; F84-F104 HydrophobicContact CE1-CB 4.25Å; F84-F104 AromaticContact CE1-CD1 3.65Å; F84-F104 HydrophobicContact CE1-CD1 3.65Å; F84-F104 HydrophobicContact CE1-CE1 4.09Å; F84-F104 AromaticContact CE1-CG 3.89Å; F84-F104 HydrophobicContact CE1-CG 3.89Å; F84-F107 HydrophobicContact CB-CB 3.89Å; F84-F107 HydrophobicContact CD1-CB 3.99Å; F84-F107 HydrophobicContact CD1-CD2 4.34Å; F84-F107 HydrophobicContact CD2-CB 3.85Å; F84-F107 AromaticContact CD2-CD2 3.48Å; F84-F107 HydrophobicContact CD2-CD2 3.48Å; F84-F107 VanDerWaalsContact CD2-CD2 3.48Å; F84-F107 HydrophobicContact CD2-CE2 4.19Å; F84-F107 AromaticContact CD2-CG 3.76Å; F84-F107 HydrophobicContact CD2-CG 3.76Å; F84-F107 HydrophobicContact CE1-CD2 4.16Å; F84-F107 HydrophobicContact CE2-CB 4.41Å; F84-F107 AromaticContact CE2-CD2 3.24Å; F84-F107 HydrophobicContact CE2-CD2 3.24Å; F84-F107 AromaticContact CE2-CE2 3.68Å; F84-F107 HydrophobicContact CE2-CE2 3.68Å; F84-F107 HydrophobicContact CE2-CG 4.02Å; F84-F107 HydrophobicContact CG-CB 3.62Å; F84-F107 HydrophobicContact CG-CD2 4.05Å; F84-F107 HydrophobicContact CG-CG 4.08Å; F84-F107 AromaticContact CZ-CD2 3.62Å; F84-F107 HydrophobicContact CZ-CD2 3.62Å; F84-F107 HydrophobicContact CZ-CE2 4.21Å; F84-Y108 HydrophobicContact CD1-CE1 4.3Å; F84-L111 HydrophobicContact CB-CD1 3.89Å; F84-L111 WeakPolarHBondContact O-CD1 3.44Å
85C96.5Very high88.6Confident0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-112.2144-174.3-75.40000112.2H68 F69 F71 G83 L95H68-C85 VanDerWaalsContact CA-O 3.29Å; H68-C85 WeakPolarHBondContact CA-O 3.26Å; F69-C85 HydrophobicContact CD1-CB 3.78Å; F69-C85 HydrophobicContact CD2-CB 4.05Å; F69-C85 HydrophobicContact CE1-CB 3.52Å; F69-C85 HydrophobicContact CE2-CB 3.81Å; F69-C85 HydrophobicContact CG-CB 4.05Å; F69-C85 HydrophobicContact CZ-CB 3.54Å; F69-C85 PolarHBondContact N-O 2.81Å; F69-C85 VanDerWaalsContact N-O 3.12Å; F69-C85 WeakPolarHBondContact O-CB 3.49Å; F69-C85 PolarHBondContact O-N 3.44Å; F71-C85 VanDerWaalsContact CE1-SG 3.51Å; G83-C85 PolarHBondContact O-N 3.28Å; C85-L95 CarbonylContact C-O 3.59Å; C85-L95 WeakPolarHBondContact CA-O 3.44Å
86R95Very high88.8Confident28 Ų2838.9 Ų38.911%0.10621%0.212CC..EExtended strand (participates in β ladder)trans-126.3106.7165.9-179.5-172.1-178.2-84.413.6108.6V66 Q67 C94 L95 L111 N112 A115V66-R86 HydrophobicContact CG1-CG 3.7Å; Q67-R86 WeakPolarHBondContact O-CA 3.24Å; R86-C94 WeakPolarHBondContact O-CA 3.31Å; R86-L95 PolarHBondContact N-O 2.84Å; R86-L95 PolarHBondContact O-N 3.12Å; R86-L111 HydrophobicContact CB-CB 3.99Å; R86-L111 HydrophobicContact CB-CD1 4.41Å; R86-L111 HydrophobicContact CB-CD2 4.49Å; R86-L111 VanDerWaalsContact CD-O 3.24Å; R86-L111 WeakPolarHBondContact CD-O 3.39Å; R86-N112 WeakPolarHBondContact CD-OD1 3.39Å; R86-N112 PolarHBondContact NE-OD1 3.15Å; R86-A115 VanDerWaalsContact NH1-CB 3.27Å
87L91.5Very high89.2Confident5 Ų530.4 Ų30.43%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-96130.5-177.8176.964.5000111F53 Y55 Q67 F69 C94 L224F53-L87 HydrophobicContact CD1-CD1 3.95Å; F53-L87 HydrophobicContact CE1-CD1 3.57Å; Y55-L87 HydrophobicContact CE1-CD2 3.9Å; Q67-L87 PolarHBondContact N-O 2.84Å; Q67-L87 VanDerWaalsContact N-O 3.08Å; Q67-L87 PolarHBondContact O-N 3.37Å; F69-L87 HydrophobicContact CE1-CB 4.18Å; L87-C94 HydrophobicContact CD1-CB 3.98Å; L87-L224 HydrophobicContact CD2-CD1 3.97Å
88T83.8Confident89.5Confident14 Ų1424.7 Ų24.79%0.08614%0.14CC..EExtended strand (participates in β ladder)trans-126108.7174.829.40000112V66 S90 T91 Q92 T93V66-T88 HydrophobicContact CB-CG2 4.48Å; V66-T88 HydrophobicContact CG1-CG2 4.19Å; V66-T88 HydrophobicContact CG2-CG2 3.93Å; T88-S90 PolarHBondContact O-N 2.83Å; T88-T91 WeakPolarHBondContact CB-OG1 3.27Å; T88-T91 PolarHBondContact O-N 3.46Å; T88-T91 PolarHBondContact O-OG1 2.96Å; T88-T91 PolarHBondContact OG1-OG1 3.28Å; T88-Q92 PolarHBondContact O-N 3.27Å; T88-Q92 VanDerWaalsContact O-N 3.13Å; T88-T93 PolarHBondContact N-O 3.05Å; T88-T93 PolarHBondContact O-N 2.79Å; T88-T93 PolarHBondContact OG1-O 3.5Å
89N72.7Confident89.8Confident39 Ų3923.4 Ų23.421%0.20913%0.127CC..THydrogen-bonded Turntrans-64.4-25.6178.5-67.6-23.1000113.3G63 Q92G63-N89 VanDerWaalsContact O-CB 3.31Å; G63-N89 WeakPolarHBondContact O-CB 3.38Å; G63-N89 PolarHBondContact O-ND2 3.36Å; N89-Q92 PolarHBondContact O-NE2 2.82Å
90S70.1Confident89.9Confident110 Ų11023.6 Ų23.677%0.76913%0.125SC*.THydrogen-bonded Turntrans-68.3-36.6176.250.90000113.4T88T88-S90 PolarHBondContact O-N 2.83Å
91T67.9Low89.7Confident73 Ų7323.5 Ų23.545%0.44813%0.125SC..THydrogen-bonded Turntrans-91.9-12.6178.462.40000113.1T88 T93T88-T91 WeakPolarHBondContact CB-OG1 3.27Å; T88-T91 PolarHBondContact O-N 3.46Å; T88-T91 PolarHBondContact O-OG1 2.96Å; T88-T91 PolarHBondContact OG1-OG1 3.28Å; T91-T93 WeakPolarHBondContact CB-OG1 3.3Å; T91-T93 PolarHBondContact O-N 2.83Å; T91-T93 PolarHBondContact OG1-N 3.33Å; T91-T93 PolarHBondContact OG1-OG1 3.13Å
92Q81.5Confident89.6Confident96 Ų9622.2 Ų22.245%0.44913%0.126SC..THydrogen-bonded Turntrans52.335.3-166.2-67.7-66.9-50.800112C21 T88 N89C21-Q92 HydrophobicContact CB-CB 4.05Å; C21-Q92 VanDerWaalsContact CB-O 3.28Å; C21-Q92 WeakPolarHBondContact CB-O 3.46Å; C21-Q92 PolarHBondContact N-O 2.86Å; C21-Q92 PolarHBondContact SG-OE1 2.9Å; T88-Q92 PolarHBondContact O-N 3.27Å; T88-Q92 VanDerWaalsContact O-N 3.13Å; N89-Q92 PolarHBondContact O-NE2 2.82Å
93T89Confident89.3Confident4 Ų423.3 Ų23.33%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-132.9159.4176.461.60000113E18 A19 T20 K32 T88 T91E18-T93 HydrophobicContact CG-CG2 4.19Å; E18-T93 WeakPolarHBondContact OE1-CB 3.38Å; E18-T93 WeakPolarHBondContact OE1-CG2 3.21Å; E18-T93 PolarHBondContact OE1-OG1 3.22Å; A19-T93 CarbonylContact O-C 3.56Å; A19-T93 WeakPolarHBondContact O-CA 3.47Å; A19-T93 VanDerWaalsContact O-CB 3.27Å; A19-T93 WeakPolarHBondContact O-CB 3.34Å; T20-T93 HydrophobicContact CG2-CG2 3.87Å; K32-T93 HydrophobicContact CD-CG2 4.13Å; K32-T93 VanDerWaalsContact NZ-CG2 3.28Å; T88-T93 PolarHBondContact N-O 3.05Å; T88-T93 PolarHBondContact O-N 2.79Å; T88-T93 PolarHBondContact OG1-O 3.5Å; T91-T93 WeakPolarHBondContact CB-OG1 3.3Å; T91-T93 PolarHBondContact O-N 2.83Å; T91-T93 PolarHBondContact OG1-N 3.33Å; T91-T93 PolarHBondContact OG1-OG1 3.13Å
94C93.3Very high89.1Confident0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-130.2130.1175.7-172.50000109.1E18 A19 C52 F53 R86 L87E18-C94 WeakPolarHBondContact CA-O 3.42Å; A19-C94 PolarHBondContact N-O 2.72Å; A19-C94 PolarHBondContact O-N 3.19Å; C52-C94 HydrophobicContact CB-CB 3.82Å; F53-C94 HydrophobicContact CE1-CB 4.01Å; F53-C94 HydrophobicContact CE2-CB 4.45Å; F53-C94 HydrophobicContact CZ-CB 3.75Å; R86-C94 WeakPolarHBondContact O-CA 3.31Å; L87-C94 HydrophobicContact CD1-CB 3.98Å
95L94.9Very high88.7Confident5 Ų526.5 Ų26.53%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-92.4132.2171.8-55.1-176.9000108.7F16 E18 C85 R86 L111 A115 L118F16-L95 HydrophobicContact CE2-CB 4.18Å; F16-L95 HydrophobicContact CZ-CD2 4.34Å; E18-L95 HydrophobicContact CB-CD2 3.72Å; E18-L95 HydrophobicContact CG-CD2 3.77Å; C85-L95 CarbonylContact C-O 3.59Å; C85-L95 WeakPolarHBondContact CA-O 3.44Å; R86-L95 PolarHBondContact N-O 2.84Å; R86-L95 PolarHBondContact O-N 3.12Å; L95-L111 HydrophobicContact CB-CD2 3.7Å; L95-A115 HydrophobicContact CD1-CB 3.65Å; L95-L118 HydrophobicContact CD1-CD1 3.86Å; L95-L118 HydrophobicContact CD2-CD1 3.51Å; L95-L118 HydrophobicContact CG-CD1 4.35Å
96C96.3Very high88.4Confident0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-130.3131.4-179.5-176.40000111.8F16 F17 F84F16-C96 VanDerWaalsContact CA-O 3.3Å; F16-C96 WeakPolarHBondContact CA-O 3.3Å; F16-C96 WeakPolarHBondContact CD2-O 3.37Å; F17-C96 HydrophobicContact CD1-CB 4.06Å; F17-C96 HydrophobicContact CD2-CB 4.33Å; F17-C96 HydrophobicContact CE1-CB 3.58Å; F17-C96 HydrophobicContact CE2-CB 3.89Å; F17-C96 HydrophobicContact CG-CB 4.41Å; F17-C96 HydrophobicContact CZ-CB 3.49Å; F17-C96 VanDerWaalsContact CZ-CB 3.49Å; F17-C96 PolarHBondContact N-O 3.26Å; F17-C96 PolarHBondContact O-N 3.18Å; F84-C96 CarbonylContact O-C 3.53Å; F84-C96 VanDerWaalsContact O-CA 3.27Å; F84-C96 WeakPolarHBondContact O-CA 3.45Å
97I95.9Very high88.3Confident1 Ų126 Ų261%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-108.4125.8164.8-63.6170.4000108.2F13 F16 G83 F84 F107 L110 L111 L114F13-I97 HydrophobicContact CB-CG2 3.68Å; F13-I97 HydrophobicContact CD2-CG2 4.31Å; F13-I97 HydrophobicContact CG-CG2 4.15Å; F16-I97 HydrophobicContact CD2-CG1 3.6Å; F16-I97 HydrophobicContact CE2-CG1 4.31Å; F16-I97 HydrophobicContact CG-CG1 4.49Å; G83-I97 CarbonylContact C-O 3.56Å; F84-I97 PolarHBondContact N-O 2.89Å; F84-I97 PolarHBondContact O-N 3.18Å; I97-F107 HydrophobicContact CB-CD1 4.39Å; I97-F107 HydrophobicContact CD1-CD1 3.8Å; I97-F107 HydrophobicContact CG2-CD1 3.82Å; I97-F107 HydrophobicContact CG2-CE1 3.88Å; I97-L110 HydrophobicContact CD1-CD2 3.76Å; I97-L110 HydrophobicContact CD1-CG 4.08Å; I97-L111 HydrophobicContact CD1-CD2 4.08Å; I97-L111 HydrophobicContact CD1-CG 3.93Å; I97-L111 HydrophobicContact CG1-CD2 3.95Å; I97-L111 HydrophobicContact CG1-CG 4.27Å; I97-L114 HydrophobicContact CD1-CD1 4.18Å
98L94.8Very high88.3Confident4 Ų426.1 Ų26.12%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-100.7119.9173.6-173.568.5000110.1N14 W15 L48 L73 R81 F82N14-L98 PolarHBondContact N-O 2.89Å; W15-L98 HydrophobicContact CB-CB 4.34Å; W15-L98 PolarHBondContact N-O 2.65Å; W15-L98 PolarHBondContact O-N 2.89Å; L48-L98 HydrophobicContact CD1-CD2 3.96Å; L73-L98 HydrophobicContact CD1-CD1 3.92Å; L73-L98 HydrophobicContact CD1-CD2 4.46Å; R81-L98 HydrophobicContact CB-CD1 4.05Å; F82-L98 WeakPolarHBondContact O-CA 3.41Å
99S93.6Very high88.7Confident0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-146.1155.7178.2-177.80000112.7T12 F82 L101T12-S99 WeakPolarHBondContact O-CB 3.27Å; T12-S99 PolarHBondContact O-OG 3.24Å; F82-S99 PolarHBondContact N-O 3.01Å; F82-S99 PolarHBondContact O-N 2.9Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact OG-N 2.91Å
100Y92.3Very high89.5Confident25 Ų2530.1 Ų30.110%0.09816%0.159CC..SBendtrans-79.1-15.1166.2-71.7-79.9000113.6K6 P9 N14 D75 Q80 R81K6-Y100 HydrophobicContact CB-CD1 3.59Å; K6-Y100 HydrophobicContact CB-CE1 4.17Å; K6-Y100 HydrophobicContact CB-CG 3.88Å; K6-Y100 HydrophobicContact CD-CD1 4.12Å; K6-Y100 HydrophobicContact CD-CE1 3.8Å; K6-Y100 HydrophobicContact CG-CD1 3.95Å; K6-Y100 HydrophobicContact CG-CE1 4.05Å; K6-Y100 HydrophobicContact CG-CG 4.26Å; P9-Y100 HydrophobicContact CB-CD2 4.16Å; P9-Y100 HydrophobicContact CB-CG 4.28Å; N14-Y100 WeakPolarHBondContact OD1-CD2 3.41Å; D75-Y100 VanDerWaalsContact OD2-CE1 3.3Å; D75-Y100 WeakPolarHBondContact OD2-CE1 3.45Å; D75-Y100 PolarHBondContact OD2-OH 3.08Å; Q80-Y100 WeakPolarHBondContact O-CD1 3.38Å; R81-Y100 HydrophobicContact CG-CD1 3.72Å; R81-Y100 HydrophobicContact CG-CE1 3.38Å; R81-Y100 HydrophobicContact CG-CE2 4.35Å; R81-Y100 HydrophobicContact CG-CG 4.36Å; R81-Y100 VanDerWaalsContact NE-CZ 3.34Å; R81-Y100 PolarHBondContact NE-OH 2.83Å; R81-Y100 PolarHBondContact NH2-OH 2.99Å
101L90.4Very high90.6Very high16 Ų1624.9 Ų24.98%0.08412%0.122CC..SBendtrans-82.2124.7-177.8-65175.1000110.6P9 F84 S99 W103 F107 I138P9-L101 HydrophobicContact CG-CD2 3.75Å; P9-L101 HydrophobicContact CG-CG 4.28Å; F84-L101 WeakPolarHBondContact CE2-O 3.39Å; F84-L101 VanDerWaalsContact CZ-O 3.31Å; F84-L101 WeakPolarHBondContact CZ-O 3.34Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact OG-N 2.91Å; L101-W103 HydrophobicContact CB-CD2 4.01Å; L101-W103 HydrophobicContact CB-CG 4.04Å; L101-W103 HydrophobicContact CD1-CD2 3.99Å; L101-W103 HydrophobicContact CD1-CE3 3.94Å; L101-W103 HydrophobicContact CD1-CH2 3.74Å; L101-W103 HydrophobicContact CD1-CZ2 3.77Å; L101-W103 HydrophobicContact CD1-CZ3 3.82Å; L101-W103 HydrophobicContact CD2-CZ2 4.28Å; L101-W103 PolarHBondContact O-N 3.08Å; L101-F107 HydrophobicContact CB-CE2 4.25Å; L101-I138 HydrophobicContact CD1-CD1 3.89Å; L101-I138 HydrophobicContact CD1-CG1 4.29Å; L101-I138 HydrophobicContact CD2-CD1 4.37Å; L101-I138 HydrophobicContact CG-CD1 4.4Å
102P91.3Very high91.7Very high43 Ų4323.8 Ų23.828%0.27911%0.114SC..  trans-80.145-17834.9-37.9000112.5L5 F82 F104L5-P102 HydrophobicContact CD1-CG 4.14Å; L5-P102 HydrophobicContact CD2-CB 4.26Å; L5-P102 HydrophobicContact CD2-CG 4.08Å; F82-P102 HydrophobicContact CD2-CB 4.46Å; F82-P102 HydrophobicContact CE1-CB 4.48Å; F82-P102 HydrophobicContact CE2-CB 3.95Å; F82-P102 HydrophobicContact CZ-CB 3.98Å; P102-F104 HydrophobicContact CB-CE2 4.08Å; P102-F104 WeakPolarHBondContact O-CD2 3.45Å; P102-F104 PolarHBondContact O-N 3.06Å
103W90.9Very high92.1Very high26 Ų2621 Ų2110%0.09811%0.105CC..  trans-91.660-173.1-60.3-8.7000112.2L101 E105 V106 F107 L147 A177 P178L101-W103 HydrophobicContact CB-CD2 4.01Å; L101-W103 HydrophobicContact CB-CG 4.04Å; L101-W103 HydrophobicContact CD1-CD2 3.99Å; L101-W103 HydrophobicContact CD1-CE3 3.94Å; L101-W103 HydrophobicContact CD1-CH2 3.74Å; L101-W103 HydrophobicContact CD1-CZ2 3.77Å; L101-W103 HydrophobicContact CD1-CZ3 3.82Å; L101-W103 HydrophobicContact CD2-CZ2 4.28Å; L101-W103 PolarHBondContact O-N 3.08Å; W103-E105 PolarHBondContact O-N 3.33Å; W103-V106 HydrophobicContact CB-CB 4.01Å; W103-V106 HydrophobicContact CB-CG2 4.17Å; W103-V106 PolarHBondContact O-N 3.5Å; W103-V106 VanDerWaalsContact O-N 3.12Å; W103-F107 HydrophobicContact CB-CD2 3.9Å; W103-F107 HydrophobicContact CB-CE2 3.81Å; W103-F107 HydrophobicContact CG-CE2 4.47Å; W103-F107 VanDerWaalsContact O-CD2 3.3Å; W103-F107 WeakPolarHBondContact O-CD2 3.37Å; W103-F107 PolarHBondContact O-N 3.12Å; W103-L147 HydrophobicContact CZ3-CD1 4.43Å; W103-A177 HydrophobicContact CH2-CB 3.76Å; W103-A177 HydrophobicContact CZ2-CB 3.57Å; W103-A177 HydrophobicContact CZ3-CB 4.38Å; W103-P178 HydrophobicContact CB-CG 4.5Å; W103-P178 VanDerWaalsContact CD1-CG 3.44Å; W103-P178 HydrophobicContact CG-CG 4.05Å
104F92Very high92.2Very high16 Ų1620.8 Ų20.87%0.0710%0.104CC..Hα-helixtrans-48.3-54.1-174.1-61.2-93.9000113.3T70 F82 F84 P102 V106 F107 Y108 N191 H232T70-F104 HydrophobicContact CG2-CD1 4.34Å; T70-F104 HydrophobicContact CG2-CE1 3.82Å; F82-F104 HydrophobicContact CD1-CZ 4.13Å; F82-F104 HydrophobicContact CE1-CZ 4.14Å; F84-F104 HydrophobicContact CD1-CD1 4.21Å; F84-F104 HydrophobicContact CE1-CB 4.25Å; F84-F104 AromaticContact CE1-CD1 3.65Å; F84-F104 HydrophobicContact CE1-CD1 3.65Å; F84-F104 HydrophobicContact CE1-CE1 4.09Å; F84-F104 AromaticContact CE1-CG 3.89Å; F84-F104 HydrophobicContact CE1-CG 3.89Å; P102-F104 HydrophobicContact CB-CE2 4.08Å; P102-F104 WeakPolarHBondContact O-CD2 3.45Å; P102-F104 PolarHBondContact O-N 3.06Å; F104-V106 VanDerWaalsContact C-N 3.3Å; F104-V106 PolarHBondContact O-N 3.31Å; F104-F107 PolarHBondContact O-N 2.65Å; F104-Y108 HydrophobicContact CB-CD2 4.36Å; F104-Y108 HydrophobicContact CB-CE2 4.03Å; F104-Y108 HydrophobicContact CD1-CE2 4.45Å; F104-Y108 WeakPolarHBondContact O-CB 3.1Å; F104-Y108 WeakPolarHBondContact O-CD2 3.41Å; F104-Y108 PolarHBondContact O-N 3.02Å; F104-N191 VanDerWaalsContact CD1-ND2 3.34Å; F104-N191 WeakPolarHBondContact CD1-ND2 3.38Å; F104-N191 VanDerWaalsContact CE1-ND2 3.26Å; F104-N191 WeakPolarHBondContact CE1-ND2 3.33Å; F104-N191 WeakPolarHBondContact CE2-ND2 3.42Å; F104-N191 WeakPolarHBondContact CG-ND2 3.45Å; F104-N191 VanDerWaalsContact CZ-ND2 3.35Å; F104-N191 WeakPolarHBondContact CZ-ND2 3.38Å; F104-H232 AromaticContact CE1-CD2 3.76Å; F104-H232 AromaticContact CE1-CG 3.94Å; F104-H232 AromaticContact CE1-NE2 3.84Å; F104-H232 HydrophobicContact CZ-CB 4.4Å; F104-H232 AromaticContact CZ-CE1 3.97Å; F104-H232 AromaticContact CZ-CG 3.88Å; F104-H232 AromaticContact CZ-ND1 3.76Å
105E90.1Very high92Very high52 Ų5221.3 Ų21.324%0.24311%0.108CC..Hα-helixtrans-66.2-30.6-176.1-68.467.1-147.600112.8W103 K109 E188 N189 R190W103-E105 PolarHBondContact O-N 3.33Å; E105-K109 VanDerWaalsContact O-CG 3.27Å; E105-K109 WeakPolarHBondContact O-CG 3.35Å; E105-K109 PolarHBondContact O-N 3.11Å; E105-E188 WeakPolarHBondContact CG-O 3.35Å; E105-N189 WeakPolarHBondContact OE1-CA 3.34Å; E105-R190 PolarHBondContact OE1-N 3.2Å
106V88.9Confident91.7Very high13 Ų1324.6 Ų24.68%0.07913%0.126CC..Hα-helixtrans-73.5-52.6176.1178.20000110W103 F104 Y108 K109 L110 F175W103-V106 HydrophobicContact CB-CB 4.01Å; W103-V106 HydrophobicContact CB-CG2 4.17Å; W103-V106 PolarHBondContact O-N 3.5Å; W103-V106 VanDerWaalsContact O-N 3.12Å; F104-V106 VanDerWaalsContact C-N 3.3Å; F104-V106 PolarHBondContact O-N 3.31Å; V106-Y108 PolarHBondContact O-N 2.96Å; V106-K109 PolarHBondContact O-N 2.98Å; V106-L110 WeakPolarHBondContact O-CB 3.05Å; V106-L110 PolarHBondContact O-N 2.92Å; V106-F175 HydrophobicContact CG1-CB 3.79Å; V106-F175 HydrophobicContact CG1-CD1 4.11Å; V106-F175 HydrophobicContact CG1-CD2 4.45Å; V106-F175 HydrophobicContact CG1-CG 3.85Å; V106-F175 HydrophobicContact CG2-CB 4.22Å
107F92.4Very high91.4Very high4 Ų427.5 Ų27.52%0.01814%0.137CC..Hα-helixtrans-68-35.3-177.2-70.5-58.6000112.7T12 F84 I97 L101 W103 F104 L110 L111T12-F107 WeakPolarHBondContact O-CZ 3.42Å; F84-F107 HydrophobicContact CB-CB 3.89Å; F84-F107 HydrophobicContact CD1-CB 3.99Å; F84-F107 HydrophobicContact CD1-CD2 4.34Å; F84-F107 HydrophobicContact CD2-CB 3.85Å; F84-F107 AromaticContact CD2-CD2 3.48Å; F84-F107 HydrophobicContact CD2-CD2 3.48Å; F84-F107 VanDerWaalsContact CD2-CD2 3.48Å; F84-F107 HydrophobicContact CD2-CE2 4.19Å; F84-F107 AromaticContact CD2-CG 3.76Å; F84-F107 HydrophobicContact CD2-CG 3.76Å; F84-F107 HydrophobicContact CE1-CD2 4.16Å; F84-F107 HydrophobicContact CE2-CB 4.41Å; F84-F107 AromaticContact CE2-CD2 3.24Å; F84-F107 HydrophobicContact CE2-CD2 3.24Å; F84-F107 AromaticContact CE2-CE2 3.68Å; F84-F107 HydrophobicContact CE2-CE2 3.68Å; F84-F107 HydrophobicContact CE2-CG 4.02Å; F84-F107 HydrophobicContact CG-CB 3.62Å; F84-F107 HydrophobicContact CG-CD2 4.05Å; F84-F107 HydrophobicContact CG-CG 4.08Å; F84-F107 AromaticContact CZ-CD2 3.62Å; F84-F107 HydrophobicContact CZ-CD2 3.62Å; F84-F107 HydrophobicContact CZ-CE2 4.21Å; I97-F107 HydrophobicContact CB-CD1 4.39Å; I97-F107 HydrophobicContact CD1-CD1 3.8Å; I97-F107 HydrophobicContact CG2-CD1 3.82Å; I97-F107 HydrophobicContact CG2-CE1 3.88Å; L101-F107 HydrophobicContact CB-CE2 4.25Å; W103-F107 HydrophobicContact CB-CD2 3.9Å; W103-F107 HydrophobicContact CB-CE2 3.81Å; W103-F107 HydrophobicContact CG-CE2 4.47Å; W103-F107 VanDerWaalsContact O-CD2 3.3Å; W103-F107 WeakPolarHBondContact O-CD2 3.37Å; W103-F107 PolarHBondContact O-N 3.12Å; F104-F107 PolarHBondContact O-N 2.65Å; F107-L110 HydrophobicContact CD1-CD2 4.23Å; F107-L110 PolarHBondContact O-N 2.71Å; F107-L111 VanDerWaalsContact O-CB 3.29Å; F107-L111 WeakPolarHBondContact O-CB 3.36Å; F107-L111 WeakPolarHBondContact O-CD1 3.49Å; F107-L111 WeakPolarHBondContact O-CG 3.2Å; F107-L111 PolarHBondContact O-N 3.24Å
108Y93.2Very high91Very high8 Ų829.5 Ų29.53%0.03115%0.148CC..Hα-helixtrans-64.8-39.6173.5-66.4-30.8000112.8H68 T70 F84 F104 V106 L111 N112H68-Y108 HydrophobicContact CB-CD1 3.78Å; H68-Y108 HydrophobicContact CB-CD2 4.45Å; H68-Y108 HydrophobicContact CB-CE1 3.79Å; H68-Y108 HydrophobicContact CB-CE2 4.46Å; H68-Y108 HydrophobicContact CB-CG 4.11Å; H68-Y108 AromaticContact CD2-CD1 3.92Å; T70-Y108 PolarHBondContact OG1-OH 2.81Å; F84-Y108 HydrophobicContact CD1-CE1 4.3Å; F104-Y108 HydrophobicContact CB-CD2 4.36Å; F104-Y108 HydrophobicContact CB-CE2 4.03Å; F104-Y108 HydrophobicContact CD1-CE2 4.45Å; F104-Y108 WeakPolarHBondContact O-CB 3.1Å; F104-Y108 WeakPolarHBondContact O-CD2 3.41Å; F104-Y108 PolarHBondContact O-N 3.02Å; V106-Y108 PolarHBondContact O-N 2.96Å; Y108-L111 HydrophobicContact CD1-CD1 4.44Å; Y108-N112 PolarHBondContact O-N 2.83Å; Y108-N112 PolarHBondContact O-ND2 3.49Å
109K90.4Very high90.6Very high128 Ų12834 Ų3456%0.55718%0.179SC*.Hα-helixtrans-67-46174-72.6175.8178.9-177.40111.4E105 V106 L111 N112 S113 F175E105-K109 VanDerWaalsContact O-CG 3.27Å; E105-K109 WeakPolarHBondContact O-CG 3.35Å; E105-K109 PolarHBondContact O-N 3.11Å; V106-K109 PolarHBondContact O-N 2.98Å; K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 3.48Å; K109-N112 WeakPolarHBondContact O-CB 3.28Å; K109-N112 PolarHBondContact O-N 2.91Å; K109-S113 PolarHBondContact O-N 3.4Å; K109-S113 VanDerWaalsContact O-N 3.1Å; K109-S113 PolarHBondContact O-OG 3.45Å; K109-F175 HydrophobicContact CB-CD1 4.41Å; K109-F175 HydrophobicContact CB-CE1 3.63Å; K109-F175 HydrophobicContact CB-CZ 4.48Å; K109-F175 HydrophobicContact CD-CD1 4.43Å; K109-F175 HydrophobicContact CD-CE1 4.2Å
110L90.4Very high90.4Very high8 Ų840.6 Ų40.64%0.04221%0.208CC..Hα-helixtrans-58.7-41.2176178.160.2000112.2I97 V106 F107 N112 S113 L114 L129 L133I97-L110 HydrophobicContact CD1-CD2 3.76Å; I97-L110 HydrophobicContact CD1-CG 4.08Å; V106-L110 WeakPolarHBondContact O-CB 3.05Å; V106-L110 PolarHBondContact O-N 2.92Å; F107-L110 HydrophobicContact CD1-CD2 4.23Å; F107-L110 PolarHBondContact O-N 2.71Å; L110-N112 VanDerWaalsContact C-N 3.28Å; L110-N112 PolarHBondContact O-N 3.41Å; L110-S113 PolarHBondContact O-N 3.49Å; L110-L114 HydrophobicContact CD1-CD1 4.18Å; L110-L114 HydrophobicContact CD1-CG 4.15Å; L110-L114 HydrophobicContact CG-CD1 3.92Å; L110-L114 HydrophobicContact CG-CG 4.37Å; L110-L114 WeakPolarHBondContact O-CB 3.42Å; L110-L114 VanDerWaalsContact O-CG 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.24Å; L110-L114 PolarHBondContact O-N 3.37Å; L110-L129 HydrophobicContact CD1-CD2 3.91Å; L110-L133 HydrophobicContact CD2-CD2 3.49Å; L110-L133 VanDerWaalsContact CD2-CD2 3.49Å
111L93Very high90Very high0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-63.5-29.9175.1-78.4162.3000113.3F16 F84 R86 L95 I97 F107 Y108 K109 A115F16-L111 HydrophobicContact CE2-CD2 4.17Å; F84-L111 HydrophobicContact CB-CD1 3.89Å; F84-L111 WeakPolarHBondContact O-CD1 3.44Å; R86-L111 HydrophobicContact CB-CB 3.99Å; R86-L111 HydrophobicContact CB-CD1 4.41Å; R86-L111 HydrophobicContact CB-CD2 4.49Å; R86-L111 VanDerWaalsContact CD-O 3.24Å; R86-L111 WeakPolarHBondContact CD-O 3.39Å; L95-L111 HydrophobicContact CB-CD2 3.7Å; I97-L111 HydrophobicContact CD1-CD2 4.08Å; I97-L111 HydrophobicContact CD1-CG 3.93Å; I97-L111 HydrophobicContact CG1-CD2 3.95Å; I97-L111 HydrophobicContact CG1-CG 4.27Å; F107-L111 VanDerWaalsContact O-CB 3.29Å; F107-L111 WeakPolarHBondContact O-CB 3.36Å; F107-L111 WeakPolarHBondContact O-CD1 3.49Å; F107-L111 WeakPolarHBondContact O-CG 3.2Å; F107-L111 PolarHBondContact O-N 3.24Å; Y108-L111 HydrophobicContact CD1-CD1 4.44Å; K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 3.48Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.44Å; L111-A115 VanDerWaalsContact O-N 3.14Å
112N91.4Very high89.9Confident51 Ų5143.8 Ų43.827%0.27324%0.237SC..Hα-helixtrans-70.3-52.9171.6-68.7-31.7000110.3H68 R86 Y108 K109 L110 L114 A115 D116H68-N112 PolarHBondContact CE1-OD1 2.89Å; H68-N112 PolarHBondContact NE2-OD1 2.88Å; R86-N112 WeakPolarHBondContact CD-OD1 3.39Å; R86-N112 PolarHBondContact NE-OD1 3.15Å; Y108-N112 PolarHBondContact O-N 2.83Å; Y108-N112 PolarHBondContact O-ND2 3.49Å; K109-N112 WeakPolarHBondContact O-CB 3.28Å; K109-N112 PolarHBondContact O-N 2.91Å; L110-N112 VanDerWaalsContact C-N 3.28Å; L110-N112 PolarHBondContact O-N 3.41Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.85Å; N112-A115 WeakPolarHBondContact O-CA 3.32Å; N112-A115 WeakPolarHBondContact O-CB 3.31Å; N112-A115 PolarHBondContact O-N 3.25Å; N112-D116 PolarHBondContact O-N 3.33Å
113S89.9Confident89.7Confident37 Ų3745.4 Ų45.426%0.25924%0.242SC..Hα-helixtrans-56.6-41.2177.8-52.90000112.7K109 L110 D116 Y117K109-S113 PolarHBondContact O-N 3.4Å; K109-S113 VanDerWaalsContact O-N 3.1Å; K109-S113 PolarHBondContact O-OG 3.45Å; L110-S113 PolarHBondContact O-N 3.49Å; S113-D116 PolarHBondContact O-N 2.71Å; S113-Y117 WeakPolarHBondContact O-CD2 3.2Å; S113-Y117 PolarHBondContact O-N 3.28Å
114L90.2Very high89.5Confident0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-62.8-39.4174.1-73170.1000112.4F16 I97 L110 N112 D116 L118 I126 L129 L130F16-L114 HydrophobicContact CD2-CD1 4.28Å; F16-L114 HydrophobicContact CE2-CD1 3.85Å; F16-L114 HydrophobicContact CZ-CD1 4.09Å; I97-L114 HydrophobicContact CD1-CD1 4.18Å; L110-L114 HydrophobicContact CD1-CD1 4.18Å; L110-L114 HydrophobicContact CD1-CG 4.15Å; L110-L114 HydrophobicContact CG-CD1 3.92Å; L110-L114 HydrophobicContact CG-CG 4.37Å; L110-L114 WeakPolarHBondContact O-CB 3.42Å; L110-L114 VanDerWaalsContact O-CG 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.24Å; L110-L114 PolarHBondContact O-N 3.37Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.85Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-L118 WeakPolarHBondContact O-CB 3.17Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.34Å; L114-I126 HydrophobicContact CD2-CB 4.48Å; L114-I126 HydrophobicContact CD2-CG1 4.17Å; L114-I126 HydrophobicContact CD2-CG2 3.98Å; L114-L129 HydrophobicContact CD2-CD2 3.96Å; L114-L130 HydrophobicContact CD1-CD2 4.19Å; L114-L130 HydrophobicContact CD2-CD2 4.33Å; L114-L130 HydrophobicContact CD2-CG 4.3Å
115A90.5Very high89.2Confident11 Ų1153.4 Ų53.49%0.09129%0.285CS..Hα-helixtrans-65.8-38174.200000112.3R86 L95 L111 N112 L118 S119R86-A115 VanDerWaalsContact NH1-CB 3.27Å; L95-A115 HydrophobicContact CD1-CB 3.65Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.44Å; L111-A115 VanDerWaalsContact O-N 3.14Å; N112-A115 WeakPolarHBondContact O-CA 3.32Å; N112-A115 WeakPolarHBondContact O-CB 3.31Å; N112-A115 PolarHBondContact O-N 3.25Å; A115-L118 PolarHBondContact O-N 2.9Å; A115-S119 PolarHBondContact O-N 3.4Å
116D88.9Confident89.1Confident74 Ų7450.9 Ų50.940%0.39627%0.273SS..Hα-helixtrans-67.8-44.4179.4-57.9-30.2000110.4N112 S113 L114 L118 S119 K120N112-D116 PolarHBondContact O-N 3.33Å; S113-D116 PolarHBondContact O-N 2.71Å; L114-D116 VanDerWaalsContact C-N 3.34Å; D116-L118 VanDerWaalsContact C-N 3.35Å; D116-L118 PolarHBondContact O-N 2.72Å; D116-S119 PolarHBondContact O-N 2.67Å; D116-S119 PolarHBondContact O-OG 3.37Å; D116-K120 VanDerWaalsContact O-CG 3.32Å; D116-K120 WeakPolarHBondContact O-CG 3.45Å; D116-K120 PolarHBondContact O-N 3.32Å; D116-K120 VanDerWaalsContact O-N 3.14Å
117Y88.4Confident89.1Confident60 Ų6053.6 Ų53.624%0.23528%0.284CS..Hα-helixtrans-60.3-40.4170.2-70.8-61.1000112.6S113 S119 K120 G121 Q122 I126 L129 M149S113-Y117 WeakPolarHBondContact O-CD2 3.2Å; S113-Y117 PolarHBondContact O-N 3.28Å; Y117-S119 PolarHBondContact O-N 3.23Å; Y117-K120 CarbonylContact O-C 3.18Å; Y117-K120 PolarHBondContact O-N 3.06Å; Y117-G121 PolarHBondContact O-N 3.01Å; Y117-G121 VanDerWaalsContact O-N 3.08Å; Y117-Q122 HydrophobicContact CD1-CB 3.95Å; Y117-Q122 PolarHBondContact O-N 2.75Å; Y117-I126 HydrophobicContact CD2-CG1 4.48Å; Y117-I126 HydrophobicContact CG-CG1 4.28Å; Y117-L129 HydrophobicContact CE2-CD2 4.48Å; Y117-M149 HydrophobicContact CE2-CE 4.21Å
118L87.3Confident88.8Confident44 Ų4456 Ų5623%0.2331%0.305CS..Hα-helixtrans-63.3-41.7176.7-79.3171.6000111.4L95 L114 A115 D116 K120 G121 I126L95-L118 HydrophobicContact CD1-CD1 3.86Å; L95-L118 HydrophobicContact CD2-CD1 3.51Å; L95-L118 HydrophobicContact CG-CD1 4.35Å; L114-L118 WeakPolarHBondContact O-CB 3.17Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.34Å; A115-L118 PolarHBondContact O-N 2.9Å; D116-L118 VanDerWaalsContact C-N 3.35Å; D116-L118 PolarHBondContact O-N 2.72Å; L118-K120 PolarHBondContact O-N 3.26Å; L118-G121 PolarHBondContact O-N 2.88Å; L118-I126 HydrophobicContact CB-CD1 4.34Å; L118-I126 HydrophobicContact CD2-CD1 3.59Å; L118-I126 HydrophobicContact CG-CD1 3.58Å
119S86.9Confident88.5Confident97 Ų9756.3 Ų56.368%0.67831%0.307SS*.Hα-helixtrans-63.5-28.6176.177.30000113.4A115 D116 Y117A115-S119 PolarHBondContact O-N 3.4Å; D116-S119 PolarHBondContact O-N 2.67Å; D116-S119 PolarHBondContact O-OG 3.37Å; Y117-S119 PolarHBondContact O-N 3.23Å
120K88.8Confident88.4Confident140 Ų14050.2 Ų50.261%0.60928%0.28SS*.THydrogen-bonded Turntrans-86.5-6.2175.3-64.9167.8-172.7174.40113.2D116 Y117 L118 Q122D116-K120 VanDerWaalsContact O-CG 3.32Å; D116-K120 WeakPolarHBondContact O-CG 3.45Å; D116-K120 PolarHBondContact O-N 3.32Å; D116-K120 VanDerWaalsContact O-N 3.14Å; Y117-K120 CarbonylContact O-C 3.18Å; Y117-K120 PolarHBondContact O-N 3.06Å; L118-K120 PolarHBondContact O-N 3.26Å; K120-Q122 VanDerWaalsContact C-N 3.32Å; K120-Q122 HydrophobicContact CB-CG 3.88Å; K120-Q122 VanDerWaalsContact CD-OE1 3.23Å
121G85.2Confident88.3Confident50 Ų5051 Ų5152%0.51529%0.288SS..THydrogen-bonded Turntrans74.715-176.300000115Y117 L118 I123Y117-G121 PolarHBondContact O-N 3.01Å; Y117-G121 VanDerWaalsContact O-N 3.08Å; L118-G121 PolarHBondContact O-N 2.88Å; G121-I123 PolarHBondContact O-N 3.27Å
122Q88.1Confident87.9Confident58 Ų5854 Ų5427%0.27131%0.306SS..  trans-81.258.6-172.6-68.8-169.9-90.600112.7Y117 K120 N124 E125 I126Y117-Q122 HydrophobicContact CD1-CB 3.95Å; Y117-Q122 PolarHBondContact O-N 2.75Å; K120-Q122 VanDerWaalsContact C-N 3.32Å; K120-Q122 HydrophobicContact CB-CG 3.88Å; K120-Q122 VanDerWaalsContact CD-OE1 3.23Å; Q122-N124 VanDerWaalsContact C-N 3.34Å; Q122-N124 PolarHBondContact O-N 2.83Å; Q122-E125 WeakPolarHBondContact CA-OE2 3.41Å; Q122-E125 HydrophobicContact CB-CB 4.27Å; Q122-E125 VanDerWaalsContact CB-CD 3.5Å; Q122-E125 HydrophobicContact CB-CG 4.32Å; Q122-E125 WeakPolarHBondContact CB-OE1 3.37Å; Q122-E125 WeakPolarHBondContact CG-OE1 3.31Å; Q122-E125 PolarHBondContact NE2-OE1 3.14Å; Q122-E125 PolarHBondContact O-N 2.99Å; Q122-I126 WeakPolarHBondContact O-CD1 3.33Å; Q122-I126 WeakPolarHBondContact O-CG1 3.39Å; Q122-I126 PolarHBondContact O-N 3.22Å; Q122-I126 VanDerWaalsContact O-N 3.11Å
123I86.9Confident87.6Confident77 Ų7752 Ų5240%0.39530%0.295SS..Hα-helixtrans-67.8-31.7-172.5-61.5172.5000112.1F33 G121 K127F33-I123 HydrophobicContact CE2-CG2 3.85Å; G121-I123 PolarHBondContact O-N 3.27Å; I123-K127 WeakPolarHBondContact O-CG 3.37Å; I123-K127 PolarHBondContact O-N 3.45Å
124N86.4Confident87.4Confident129 Ų12952.6 Ų52.669%0.6929%0.293SS*.Hα-helixtrans-71.7-40.6-179.2-67.4-29.7000110.9Q122 K127 A128Q122-N124 VanDerWaalsContact C-N 3.34Å; Q122-N124 PolarHBondContact O-N 2.83Å; N124-K127 PolarHBondContact O-N 2.99Å; N124-A128 WeakPolarHBondContact O-CB 3.46Å; N124-A128 PolarHBondContact O-N 2.88Å
125E86.4Confident87.1Confident80 Ų8060.7 Ų60.737%0.37433%0.328SS..Hα-helixtrans-65.5-41.3176.7-56.993.2130.800110.6Q122 A128 L129Q122-E125 WeakPolarHBondContact CA-OE2 3.41Å; Q122-E125 HydrophobicContact CB-CB 4.27Å; Q122-E125 VanDerWaalsContact CB-CD 3.5Å; Q122-E125 HydrophobicContact CB-CG 4.32Å; Q122-E125 WeakPolarHBondContact CB-OE1 3.37Å; Q122-E125 WeakPolarHBondContact CG-OE1 3.31Å; Q122-E125 PolarHBondContact NE2-OE1 3.14Å; Q122-E125 PolarHBondContact O-N 2.99Å; E125-A128 PolarHBondContact O-N 2.78Å; E125-L129 WeakPolarHBondContact O-CB 3.4Å; E125-L129 PolarHBondContact O-N 3.13Å
126I87.5Confident86.4Confident0 Ų062.2 Ų62.20%033%0.333CS..Hα-helixtrans-58.8-49.3169.8-71.7159.1000111.4F33 L114 Y117 L118 Q122 A128 L129 L130F33-I126 HydrophobicContact CE1-CG2 4.03Å; F33-I126 HydrophobicContact CZ-CG2 3.95Å; L114-I126 HydrophobicContact CD2-CB 4.48Å; L114-I126 HydrophobicContact CD2-CG1 4.17Å; L114-I126 HydrophobicContact CD2-CG2 3.98Å; Y117-I126 HydrophobicContact CD2-CG1 4.48Å; Y117-I126 HydrophobicContact CG-CG1 4.28Å; L118-I126 HydrophobicContact CB-CD1 4.34Å; L118-I126 HydrophobicContact CD2-CD1 3.59Å; L118-I126 HydrophobicContact CG-CD1 3.58Å; Q122-I126 WeakPolarHBondContact O-CD1 3.33Å; Q122-I126 WeakPolarHBondContact O-CG1 3.39Å; Q122-I126 PolarHBondContact O-N 3.22Å; Q122-I126 VanDerWaalsContact O-N 3.11Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.28Å; I126-L129 PolarHBondContact O-N 2.8Å; I126-L130 HydrophobicContact CG2-CD1 3.56Å; I126-L130 HydrophobicContact CG2-CG 4.3Å; I126-L130 WeakPolarHBondContact O-CB 3.5Å; I126-L130 VanDerWaalsContact O-CG 3.27Å; I126-L130 WeakPolarHBondContact O-CG 3.3Å; I126-L130 PolarHBondContact O-N 3.46Å
127K88.8Confident85.5Confident70 Ų7063.7 Ų63.730%0.30435%0.345SS..Hα-helixtrans-63.3-38.9178.8-74.1-175.9-174.3-168.20111.9F33 E37 I123 N124 A131F33-K127 HydrophobicContact CE2-CG 4.28Å; F33-K127 HydrophobicContact CZ-CG 3.96Å; E37-K127 VanDerWaalsContact OE1-CE 3.23Å; E37-K127 WeakPolarHBondContact OE1-CE 3.06Å; E37-K127 IonicContact OE1-NZ 3.82Å; E37-K127 PolarHBondContact OE1-NZ 3.35Å; I123-K127 WeakPolarHBondContact O-CG 3.37Å; I123-K127 PolarHBondContact O-N 3.45Å; N124-K127 PolarHBondContact O-N 2.99Å; K127-A131 WeakPolarHBondContact O-CB 3.35Å; K127-A131 PolarHBondContact O-N 2.95Å
128A86.6Confident84.7Confident55 Ų5562.6 Ų62.646%0.45534%0.342SS..Hα-helixtrans-65.3-46.2176.500000112N124 E125 I126 A131 T132N124-A128 WeakPolarHBondContact O-CB 3.46Å; N124-A128 PolarHBondContact O-N 2.88Å; E125-A128 PolarHBondContact O-N 2.78Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.28Å; A128-A131 PolarHBondContact O-N 3.08Å; A128-T132 WeakPolarHBondContact O-CB 3.48Å; A128-T132 PolarHBondContact O-N 2.96Å; A128-T132 PolarHBondContact O-OG1 2.94Å
129L85.5Confident83.2Confident13 Ų1362.5 Ų62.57%0.06835%0.345CS..Hα-helixtrans-57.8-55.7174169.151.3000111.2L110 L114 Y117 E125 I126 A131 T132 L133 M149L110-L129 HydrophobicContact CD1-CD2 3.91Å; L114-L129 HydrophobicContact CD2-CD2 3.96Å; Y117-L129 HydrophobicContact CE2-CD2 4.48Å; E125-L129 WeakPolarHBondContact O-CB 3.4Å; E125-L129 PolarHBondContact O-N 3.13Å; I126-L129 PolarHBondContact O-N 2.8Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 3.39Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-T132 VanDerWaalsContact O-N 3.13Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 PolarHBondContact O-N 3.24Å; L129-M149 HydrophobicContact CB-CE 4.24Å; L129-M149 HydrophobicContact CD1-CE 4.1Å; L129-M149 HydrophobicContact CD1-SD 3.51Å; L129-M149 VanDerWaalsContact CD1-SD 3.51Å; L129-M149 HydrophobicContact CD2-CE 3.8Å; L129-M149 HydrophobicContact CD2-SD 4.08Å; L129-M149 HydrophobicContact CG-CE 4.26Å; L129-M149 HydrophobicContact CG-SD 4.28Å
130L89.2Confident81.5Confident0 Ų064.9 Ų64.90%035%0.349CS..Hα-helixtrans-61.7-41-178.3-68.7170.6000111.5F13 F16 F33 F35 L114 I126 T132 Y134F13-L130 HydrophobicContact CE1-CD2 4.4Å; F13-L130 HydrophobicContact CE2-CD2 4.35Å; F13-L130 HydrophobicContact CZ-CB 4.22Å; F13-L130 HydrophobicContact CZ-CD2 3.83Å; F16-L130 HydrophobicContact CB-CD1 4.47Å; F16-L130 HydrophobicContact CB-CD2 4.22Å; F16-L130 HydrophobicContact CD1-CD1 3.39Å; F16-L130 HydrophobicContact CD1-CD2 4.29Å; F16-L130 HydrophobicContact CE1-CD1 3.84Å; F16-L130 HydrophobicContact CG-CD1 4.1Å; F16-L130 HydrophobicContact CG-CD2 4.19Å; F33-L130 HydrophobicContact CE1-CD1 4.11Å; F35-L130 HydrophobicContact CB-CB 4.37Å; F35-L130 HydrophobicContact CB-CD1 3.8Å; F35-L130 HydrophobicContact CD1-CB 3.75Å; F35-L130 HydrophobicContact CD2-CB 4.1Å; F35-L130 HydrophobicContact CE1-CB 4.09Å; F35-L130 HydrophobicContact CE2-CB 4.4Å; F35-L130 HydrophobicContact CG-CB 3.77Å; F35-L130 HydrophobicContact CG-CD1 4.09Å; F35-L130 HydrophobicContact CZ-CB 4.42Å; L114-L130 HydrophobicContact CD1-CD2 4.19Å; L114-L130 HydrophobicContact CD2-CD2 4.33Å; L114-L130 HydrophobicContact CD2-CG 4.3Å; I126-L130 HydrophobicContact CG2-CD1 3.56Å; I126-L130 HydrophobicContact CG2-CG 4.3Å; I126-L130 WeakPolarHBondContact O-CB 3.5Å; I126-L130 VanDerWaalsContact O-CG 3.27Å; I126-L130 WeakPolarHBondContact O-CG 3.3Å; I126-L130 PolarHBondContact O-N 3.46Å; L130-T132 VanDerWaalsContact C-N 3.32Å; L130-T132 PolarHBondContact O-N 2.84Å; L130-Y134 WeakPolarHBondContact O-CB 3.36Å; L130-Y134 PolarHBondContact O-N 3.18Å
131A88.2Confident79.5Confident25 Ų2561.5 Ų61.521%0.20735%0.347CS..Hα-helixtrans-66.8-30.9176.200000113.5F35 K127 A128 L129 K135F35-A131 HydrophobicContact CE2-CB 4.09Å; F35-A131 VanDerWaalsContact CZ-CA 3.45Å; F35-A131 HydrophobicContact CZ-CB 3.7Å; K127-A131 WeakPolarHBondContact O-CB 3.35Å; K127-A131 PolarHBondContact O-N 2.95Å; A128-A131 PolarHBondContact O-N 3.08Å; L129-A131 VanDerWaalsContact C-N 3.33Å; L129-A131 PolarHBondContact O-N 3.39Å; A131-K135 WeakPolarHBondContact O-CB 3.4Å; A131-K135 WeakPolarHBondContact O-CD 3.34Å; A131-K135 WeakPolarHBondContact O-CG 3.24Å; A131-K135 PolarHBondContact O-N 3.21Å
132T84.8Confident77.5Confident62 Ų6265.9 Ų65.938%0.3837%0.367SS..Hα-helixtrans-76.8-47.4176.8-50.40000110.3A128 L129 L130 Y134 K135 Q136 L153A128-T132 WeakPolarHBondContact O-CB 3.48Å; A128-T132 PolarHBondContact O-N 2.96Å; A128-T132 PolarHBondContact O-OG1 2.94Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-T132 VanDerWaalsContact O-N 3.13Å; L130-T132 VanDerWaalsContact C-N 3.32Å; L130-T132 PolarHBondContact O-N 2.84Å; T132-Y134 VanDerWaalsContact C-N 3.32Å; T132-Y134 PolarHBondContact O-N 3.34Å; T132-K135 PolarHBondContact O-N 2.92Å; T132-Q136 PolarHBondContact O-N 2.84Å; T132-Q136 VanDerWaalsContact O-N 3.14Å; T132-L153 HydrophobicContact CG2-CB 3.63Å; T132-L153 HydrophobicContact CG2-CD2 3.93Å; T132-L153 HydrophobicContact CG2-CG 4.44Å
133L84.4Confident75.5Confident9 Ų965.3 Ų65.35%0.04738%0.376CS..Hα-helixtrans-60.4-39175.1-177.664.3000112.3T12 F13 L110 L129 K135 Q136 L147T12-L133 HydrophobicContact CG2-CD1 4.13Å; T12-L133 PolarHBondContact OG1-O 2.98Å; F13-L133 HydrophobicContact CD1-CD2 3.91Å; F13-L133 HydrophobicContact CD1-CG 3.97Å; F13-L133 HydrophobicContact CE1-CB 4.07Å; F13-L133 HydrophobicContact CE1-CD2 3.87Å; F13-L133 HydrophobicContact CE1-CG 3.86Å; L110-L133 HydrophobicContact CD2-CD2 3.49Å; L110-L133 VanDerWaalsContact CD2-CD2 3.49Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 PolarHBondContact O-N 3.24Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 2.91Å; L133-Q136 VanDerWaalsContact O-CB 3.27Å; L133-Q136 WeakPolarHBondContact O-CB 3.33Å; L133-Q136 PolarHBondContact O-N 2.85Å; L133-L147 HydrophobicContact CD1-CD1 4Å
134Y86.6Confident73.7Confident51 Ų5163.8 Ų63.820%0.237%0.372CS..Hα-helixtrans-73.4-20.5179.7-172.4-109.2000114R11 F13 F35 P36 L130 T132R11-Y134 VanDerWaalsContact CD-CE2 3.49Å; R11-Y134 VanDerWaalsContact NH1-CE1 3.26Å; R11-Y134 PolarHBondContact NH1-OH 2.8Å; F13-Y134 HydrophobicContact CD1-CD2 4.48Å; F13-Y134 HydrophobicContact CD2-CD2 4.49Å; F13-Y134 HydrophobicContact CE1-CD2 4.16Å; F13-Y134 HydrophobicContact CE1-CG 4.46Å; F13-Y134 HydrophobicContact CE2-CD2 4.17Å; F13-Y134 AromaticContact CZ-CD2 3.99Å; F13-Y134 HydrophobicContact CZ-CD2 3.99Å; F13-Y134 HydrophobicContact CZ-CG 4.32Å; F13-Y134 WeakPolarHBondContact O-CD2 3.33Å; F13-Y134 WeakPolarHBondContact O-CE2 3.32Å; F35-Y134 HydrophobicContact CE1-CD1 4.02Å; F35-Y134 AromaticContact CE1-CG 3.89Å; F35-Y134 HydrophobicContact CE1-CG 3.89Å; P36-Y134 HydrophobicContact CG-CD1 4.31Å; P36-Y134 HydrophobicContact CG-CE1 3.6Å; P36-Y134 HydrophobicContact CG-CE2 3.95Å; P36-Y134 WeakPolarHBondContact CG-OH 3.45Å; L130-Y134 WeakPolarHBondContact O-CB 3.36Å; L130-Y134 PolarHBondContact O-N 3.18Å; T132-Y134 VanDerWaalsContact C-N 3.32Å; T132-Y134 PolarHBondContact O-N 3.34Å
135K84Confident72.2Confident170 Ų17058 Ų5874%0.73934%0.342SS*.Hα-helixtrans-87.9-14170.5-73.4171.7-175.11770112.9A131 T132 L133 T137A131-K135 WeakPolarHBondContact O-CB 3.4Å; A131-K135 WeakPolarHBondContact O-CD 3.34Å; A131-K135 WeakPolarHBondContact O-CG 3.24Å; A131-K135 PolarHBondContact O-N 3.21Å; T132-K135 PolarHBondContact O-N 2.92Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 2.91Å; K135-T137 PolarHBondContact O-N 2.85Å
136Q75.3Confident70.7Confident43 Ų4355.3 Ų55.320%0.20133%0.33CS..PPolyproline II helixtrans-64.9124.3-176.2-177.252.446.700110.9T12 T132 L133 L147 V155T12-Q136 HydrophobicContact CG2-CB 3.98Å; T12-Q136 HydrophobicContact CG2-CG 4.23Å; T132-Q136 PolarHBondContact O-N 2.84Å; T132-Q136 VanDerWaalsContact O-N 3.14Å; L133-Q136 VanDerWaalsContact O-CB 3.27Å; L133-Q136 WeakPolarHBondContact O-CB 3.33Å; L133-Q136 PolarHBondContact O-N 2.85Å; Q136-L147 HydrophobicContact CG-CD2 4.34Å; Q136-V155 HydrophobicContact CG-CG2 4.44Å
137T71.1Confident69.4Low105 Ų10555.7 Ų55.764%0.64433%0.333SS*.PPolyproline II helixtrans-70.4134.817048.30000109.9K135 P139K135-T137 PolarHBondContact O-N 2.85Å; T137-P139 WeakPolarHBondContact O-CD 3.41Å
138I70.3Confident67.8Low36 Ų3655.7 Ų55.719%0.18533%0.334CS..PPolyproline II helixtrans-81.7119.3170-63.3157.3000106.9P9 R11 T12 L101 L140P9-I138 HydrophobicContact CG-CD1 4.01Å; P9-I138 WeakPolarHBondContact O-CD1 3.11Å; R11-I138 VanDerWaalsContact C-CD1 3.41Å; R11-I138 WeakPolarHBondContact O-CD1 3.41Å; T12-I138 HydrophobicContact CG2-CG1 4.07Å; L101-I138 HydrophobicContact CD1-CD1 3.89Å; L101-I138 HydrophobicContact CD1-CG1 4.29Å; L101-I138 HydrophobicContact CD2-CD1 4.37Å; L101-I138 HydrophobicContact CG-CD1 4.4Å; I138-L140 PolarHBondContact O-N 2.83Å
139P56.3Low66.2Low42 Ų4254.6 Ų54.627%0.27332%0.319SS..PPolyproline II helixtrans-69.7129.8177.427.7-32.1000110.2T137 A141 V145 T157T137-P139 WeakPolarHBondContact O-CD 3.41Å; P139-A141 PolarHBondContact O-N 3.28Å; P139-V145 HydrophobicContact CG-CG2 3.4Å; P139-T157 HydrophobicContact CB-CG2 4.13Å; P139-T157 HydrophobicContact CG-CG2 4.1Å
140L51.6Low64.6Low147 Ų14755.1 Ų55.177%0.7733%0.328SS*.  trans-73.4-4.3179.1-93.265.9000114I138I138-L140 PolarHBondContact O-N 2.83Å
141A46.7Very low62.5Low69 Ų6965.2 Ų65.257%0.5738%0.376SS*.SBendtrans-90.7149.4-174.900000112P139 G143P139-A141 PolarHBondContact O-N 3.28Å; A141-G143 VanDerWaalsContact C-N 3.35Å; A141-G143 PolarHBondContact O-N 2.88Å
142P42.5Very low60.4Low143 Ų14371.5 Ų71.593%0.92940%0.4SS*.SBendtrans-68.891.8170.729.6-34.2000110.1
143G45.8Very low58.7Low45 Ų4570 Ų7046%0.46439%0.39SS..SBendtrans-161.1140.8176.900000110A141 V145A141-G143 VanDerWaalsContact C-N 3.35Å; A141-G143 PolarHBondContact O-N 2.88Å; G143-V145 PolarHBondContact O-N 2.71Å
144S50.6Low57Low45 Ų4574.1 Ų74.132%0.31541%0.412SS..  trans-78.8104.8-178.244.40000110.9T146 V159S144-T146 PolarHBondContact O-N 3.16Å; S144-V159 WeakPolarHBondContact O-CG2 3.45Å; S144-V159 WeakPolarHBondContact OG-CG2 3.21Å
145V55.1Low55.2Low9 Ų973.6 Ų73.66%0.05541%0.414CS..  trans-58.3123.7175-163.80000109.6P139 G143 L147 V155 I176 A177P139-V145 HydrophobicContact CG-CG2 3.4Å; G143-V145 PolarHBondContact O-N 2.71Å; V145-L147 HydrophobicContact CG1-CD2 3.94Å; V145-L147 HydrophobicContact CG1-CG 4.42Å; V145-V155 HydrophobicContact CG1-CG1 3.59Å; V145-I176 CarbonylContact O-C 3.41Å; V145-I176 WeakPolarHBondContact O-CA 3.44Å; V145-A177 HydrophobicContact CB-CB 3.78Å; V145-A177 HydrophobicContact CG2-CB 3.89Å; V145-A177 PolarHBondContact O-N 3.29Å
146T54.3Low53.5Low22 Ų2267.8 Ų67.814%0.13540%0.395CS..EExtended strand (participates in β ladder)trans-92129164.264.90000109.3S144 V155 S156 V159 F175 I176S144-T146 PolarHBondContact O-N 3.16Å; T146-V155 VanDerWaalsContact O-CA 3.28Å; T146-V155 WeakPolarHBondContact O-CA 3.29Å; T146-S156 PolarHBondContact N-O 2.87Å; T146-S156 PolarHBondContact O-N 3.26Å; T146-S156 WeakPolarHBondContact OG1-CB 3.26Å; T146-S156 PolarHBondContact OG1-N 3.14Å; T146-S156 PolarHBondContact OG1-O 2.97Å; T146-V159 HydrophobicContact CG2-CG2 3.88Å; T146-F175 CarbonylContact C-O 3.58Å; T146-F175 VanDerWaalsContact CA-O 3.28Å; T146-F175 WeakPolarHBondContact CA-O 3.41Å; T146-I176 HydrophobicContact CG2-CG1 4.49Å
147L59.1Low52Low9 Ų970.2 Ų70.25%0.04741%0.412CS..EExtended strand (participates in β ladder)trans-111.899.7172.3-57.7175.8000107.6W103 L133 Q136 V145 V155 Y174 F175W103-L147 HydrophobicContact CZ3-CD1 4.43Å; L133-L147 HydrophobicContact CD1-CD1 4Å; Q136-L147 HydrophobicContact CG-CD2 4.34Å; V145-L147 HydrophobicContact CG1-CD2 3.94Å; V145-L147 HydrophobicContact CG1-CG 4.42Å; L147-V155 HydrophobicContact CD2-CB 4.39Å; L147-V155 HydrophobicContact CD2-CG1 3.91Å; L147-V155 HydrophobicContact CD2-CG2 3.61Å; L147-Y174 CarbonylContact O-C 3.5Å; L147-Y174 WeakPolarHBondContact O-CA 3.45Å; L147-F175 HydrophobicContact CB-CB 4.25Å; L147-F175 HydrophobicContact CB-CD2 4.16Å; L147-F175 PolarHBondContact N-O 3.35Å; L147-F175 PolarHBondContact O-N 2.75Å
148Q56Low50.6Low69 Ų6972.2 Ų72.232%0.32241%0.414SS..EExtended strand (participates in β ladder)trans-100.2125.5-175.9-178.7179.90.800111G150 L153 L154 I172Q148-G150 PolarHBondContact O-N 3.35Å; Q148-L153 CarbonylContact O-C 3.58Å; Q148-L153 WeakPolarHBondContact O-CA 3.42Å; Q148-L154 HydrophobicContact CB-CB 4.21Å; Q148-L154 PolarHBondContact N-O 2.81Å; Q148-L154 PolarHBondContact O-N 2.86Å; Q148-I172 HydrophobicContact CG-CG2 3.36Å
149M52.1Low49.3Very low32 Ų3274.3 Ų74.316%0.15843%0.429CS..EExtended strand (participates in β ladder)trans-99.877.6-166.7-179.262.6-16200112.8Y117 L129 L153 I172 P173Y117-M149 HydrophobicContact CE2-CE 4.21Å; L129-M149 HydrophobicContact CB-CE 4.24Å; L129-M149 HydrophobicContact CD1-CE 4.1Å; L129-M149 HydrophobicContact CD1-SD 3.51Å; L129-M149 VanDerWaalsContact CD1-SD 3.51Å; L129-M149 HydrophobicContact CD2-CE 3.8Å; L129-M149 HydrophobicContact CD2-SD 4.08Å; L129-M149 HydrophobicContact CG-CE 4.26Å; L129-M149 HydrophobicContact CG-SD 4.28Å; M149-L153 HydrophobicContact SD-CD1 4.36Å; M149-I172 WeakPolarHBondContact O-CG2 3.38Å; M149-P173 HydrophobicContact CB-CG 3.83Å; M149-P173 WeakPolarHBondContact CB-O 3.05Å; M149-P173 HydrophobicContact CG-CG 4.03Å; M149-P173 PolarHBondContact N-O 2.62Å
150G53.2Low48.3Very low25 Ų2576.5 Ų76.526%0.25845%0.445SS..SBendtrans-101.8-160.4173.100000113.1Q148 Q152Q148-G150 PolarHBondContact O-N 3.35Å; G150-Q152 CarbonylContact C-O 3.52Å; G150-Q152 WeakPolarHBondContact CA-O 3.19Å; G150-Q152 PolarHBondContact N-O 2.75Å; G150-Q152 PolarHBondContact O-N 2.96Å
151E45.3Very low47.8Very low212 Ų21281 Ų8199%0.99145%0.452SS*.SBendtrans-58.6-22.9167.3-61.8-172.5143.100112.3
152Q44Very low47.1Very low156 Ų15682.2 Ų82.273%0.72946%0.456SS*.SBendtrans-123.8147.3158.1-73179-30.200109.6G150 L154G150-Q152 CarbonylContact C-O 3.52Å; G150-Q152 WeakPolarHBondContact CA-O 3.19Å; G150-Q152 PolarHBondContact N-O 2.75Å; G150-Q152 PolarHBondContact O-N 2.96Å; Q152-L154 PolarHBondContact O-N 2.87Å
153L48.8Very low47.2Very low31 Ų3182.9 Ų82.916%0.16246%0.457CS..EExtended strand (participates in β ladder)trans-72.8107.3168.6-170.281.5000108.2T132 Q148 M149 V155T132-L153 HydrophobicContact CG2-CB 3.63Å; T132-L153 HydrophobicContact CG2-CD2 3.93Å; T132-L153 HydrophobicContact CG2-CG 4.44Å; Q148-L153 CarbonylContact O-C 3.58Å; Q148-L153 WeakPolarHBondContact O-CA 3.42Å; M149-L153 HydrophobicContact SD-CD1 4.36Å; L153-V155 HydrophobicContact CD2-CG2 3.92Å; L153-V155 HydrophobicContact CG-CG2 4.06Å
154L47.6Very low46.5Very low95 Ų9583.1 Ų83.150%0.49746%0.459SS..EExtended strand (participates in β ladder)trans-87.6131.4172.6-68.8174.2000108.9Q148 Q152Q148-L154 HydrophobicContact CB-CB 4.21Å; Q148-L154 PolarHBondContact N-O 2.81Å; Q148-L154 PolarHBondContact O-N 2.86Å; Q152-L154 PolarHBondContact O-N 2.87Å
155V49.5Very low46Very low41 Ų4190.5 Ų90.525%0.24849%0.489CS..EExtended strand (participates in β ladder)trans-125.5110.1-179.6-1790000109.9Q136 V145 T146 L147 L153Q136-V155 HydrophobicContact CG-CG2 4.44Å; V145-V155 HydrophobicContact CG1-CG1 3.59Å; T146-V155 VanDerWaalsContact O-CA 3.28Å; T146-V155 WeakPolarHBondContact O-CA 3.29Å; L147-V155 HydrophobicContact CD2-CB 4.39Å; L147-V155 HydrophobicContact CD2-CG1 3.91Å; L147-V155 HydrophobicContact CD2-CG2 3.61Å; L153-V155 HydrophobicContact CD2-CG2 3.92Å; L153-V155 HydrophobicContact CG-CG2 4.06Å
156S48.2Very low44.9Very low48 Ų4896.5 Ų96.534%0.33653%0.525SS..EExtended strand (participates in β ladder)trans-108.6129.5179.5-51.50000110.4T146T146-S156 PolarHBondContact N-O 2.87Å; T146-S156 PolarHBondContact O-N 3.26Å; T146-S156 WeakPolarHBondContact OG1-CB 3.26Å; T146-S156 PolarHBondContact OG1-N 3.14Å; T146-S156 PolarHBondContact OG1-O 2.97Å
157T44.6Very low44.2Very low93 Ų93105 Ų10557%0.57156%0.564SS**SBendtrans-88-7.5171.445.60000112.9P139P139-T157 HydrophobicContact CB-CG2 4.13Å; P139-T157 HydrophobicContact CG-CG2 4.1Å
158E40.8Very low43.2Very low147 Ų147106.9 Ų106.969%0.68759%0.586SS**  trans-109.696.6-177.558.4-164.1130.300111.7S160E158-S160 PolarHBondContact O-N 2.98Å
159V43Very low42.4Very low80 Ų80108.5 Ų108.549%0.48560%0.602SS.*  trans-76.982.8168.5-179.40000108.8S144 T146 R161S144-V159 WeakPolarHBondContact O-CG2 3.45Å; S144-V159 WeakPolarHBondContact OG-CG2 3.21Å; T146-V159 HydrophobicContact CG2-CG2 3.88Å; V159-R161 PolarHBondContact O-N 3.47Å
160S35.7Very low41.8Very low89 Ų89116.4 Ų116.462%0.62264%0.638SS**  trans-59.4103.2168.6-760000109.5E158 S162E158-S160 PolarHBondContact O-N 2.98Å; S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.26Å
161R40.7Very low41.4Very low242 Ų242118.9 Ų118.991%0.91366%0.664SS**  trans-7870.3-172.7-169.1-177.3177.1159.80.8112V159V159-R161 PolarHBondContact O-N 3.47Å
162S32.2Very low41.7Very low94 Ų94111.4 Ų111.466%0.65763%0.631SS**  trans-108.7104.6168.653.30000110.3S160 G164S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.26Å; S162-G164 PolarHBondContact O-N 2.93Å
163V43.6Very low42.2Very low156 Ų156106.6 Ų106.695%0.94561%0.613SS**  trans-73.5106.4161175.90000106.9
164G31.3Very low42.7Very low50 Ų50112.2 Ų112.252%0.51563%0.633SS.*SBendtrans-173.8136.5177.200000108.4S162 T166S162-G164 PolarHBondContact O-N 2.93Å; G164-T166 PolarHBondContact O-N 2.96Å
165H40.2Very low43.7Very low200 Ų200108.7 Ų108.793%0.92661%0.614SS**  trans-68.5103.5178.9-73.7-103.4000109.7
166T33.4Very low44.6Very low135 Ų135111 Ų11183%0.82862%0.623SS**  trans-94127157.433.10000108.6G164 G168G164-T166 PolarHBondContact O-N 2.96Å; T166-G168 PolarHBondContact O-N 3.14Å
167E39.9Very low45.6Very low201 Ų201109.2 Ų109.294%0.93961%0.612SS**  trans-73.571.2178.3-63174.215500110.2
168G37Very low47Very low49 Ų49107.5 Ų107.551%0.50560%0.602SS.*PPolyproline II helixtrans-72.1152.4164.500000110.6T166 E170T166-G168 PolarHBondContact O-N 3.14Å; G168-E170 PolarHBondContact O-N 3.01Å
169P39.3Very low48.6Very low102 Ų102104.6 Ų104.666%0.66259%0.591SS**PPolyproline II helixtrans-60.7129.317925.7-34.1000111I172P169-I172 HydrophobicContact CG-CD1 4.09Å
170E40.2Very low50Low198 Ų198106.5 Ų106.593%0.92561%0.605SS**THydrogen-bonded Turntrans-59.6144.4-179.1-61.3-179.7124.300111.6G168G168-E170 PolarHBondContact O-N 3.01Å
171G45.2Very low51.8Low78 Ų78107.9 Ų107.980%0.80460%0.6SS**THydrogen-bonded Turntrans92.23.6168.600000117.4P173G171-P173 VanDerWaalsContact O-CD 3.22Å; G171-P173 WeakPolarHBondContact O-CD 3.32Å
172I49.6Very low53.9Low55 Ų5599.5 Ų99.528%0.28258%0.578SS.*  trans-83.3109.1170.1-72.7178.4000110.1Q148 M149 P169Q148-I172 HydrophobicContact CG-CG2 3.36Å; M149-I172 WeakPolarHBondContact O-CG2 3.38Å; P169-I172 HydrophobicContact CG-CD1 4.09Å
173P54.8Low56.5Low54 Ų5496.5 Ų96.535%0.35156%0.555SS.*  trans-73.3143.6177.526.5-27.8000110.8M149 G171M149-P173 HydrophobicContact CB-CG 3.83Å; M149-P173 WeakPolarHBondContact CB-O 3.05Å; M149-P173 HydrophobicContact CG-CG 4.03Å; M149-P173 PolarHBondContact N-O 2.62Å; G171-P173 VanDerWaalsContact O-CD 3.22Å; G171-P173 WeakPolarHBondContact O-CD 3.32Å
174Y60.3Low58.6Low150 Ų15091 Ų9159%0.58852%0.523SS*.EExtended strand (participates in β ladder)trans-130.1147.5172.865.7-87.8000111.7L147 I176L147-Y174 CarbonylContact O-C 3.5Å; L147-Y174 WeakPolarHBondContact O-CA 3.45Å; Y174-I176 HydrophobicContact CD2-CG1 4.19Å; Y174-I176 HydrophobicContact CE2-CD1 4.18Å; Y174-I176 HydrophobicContact CE2-CG1 4.17Å
175F67.9Low61.4Low21 Ų2190.1 Ų90.19%0.09251%0.508CS..EExtended strand (participates in β ladder)trans-115.3133.9178.7-50.3-70.9000110V106 K109 T146 L147V106-F175 HydrophobicContact CG1-CB 3.79Å; V106-F175 HydrophobicContact CG1-CD1 4.11Å; V106-F175 HydrophobicContact CG1-CD2 4.45Å; V106-F175 HydrophobicContact CG1-CG 3.85Å; V106-F175 HydrophobicContact CG2-CB 4.22Å; K109-F175 HydrophobicContact CB-CD1 4.41Å; K109-F175 HydrophobicContact CB-CE1 3.63Å; K109-F175 HydrophobicContact CB-CZ 4.48Å; K109-F175 HydrophobicContact CD-CD1 4.43Å; K109-F175 HydrophobicContact CD-CE1 4.2Å; T146-F175 CarbonylContact C-O 3.58Å; T146-F175 VanDerWaalsContact CA-O 3.28Å; T146-F175 WeakPolarHBondContact CA-O 3.41Å; L147-F175 HydrophobicContact CB-CB 4.25Å; L147-F175 HydrophobicContact CB-CD2 4.16Å; L147-F175 PolarHBondContact N-O 3.35Å; L147-F175 PolarHBondContact O-N 2.75Å
176I68.1Low63.7Low89 Ų8981.5 Ų81.546%0.45647%0.469SS..EExtended strand (participates in β ladder)trans-102122.8173.3-54.8-175.7000107.2V145 T146 Y174V145-I176 CarbonylContact O-C 3.41Å; V145-I176 WeakPolarHBondContact O-CA 3.44Å; T146-I176 HydrophobicContact CG2-CG1 4.49Å; Y174-I176 HydrophobicContact CD2-CG1 4.19Å; Y174-I176 HydrophobicContact CE2-CD1 4.18Å; Y174-I176 HydrophobicContact CE2-CG1 4.17Å
177A69.6Low66.3Low11 Ų1179 Ų799%0.09146%0.455CS..PPolyproline II helixtrans-64128.8174.700000110.3W103 V145W103-A177 HydrophobicContact CH2-CB 3.76Å; W103-A177 HydrophobicContact CZ2-CB 3.57Å; W103-A177 HydrophobicContact CZ3-CB 4.38Å; V145-A177 HydrophobicContact CB-CB 3.78Å; V145-A177 HydrophobicContact CG2-CB 3.89Å; V145-A177 PolarHBondContact O-N 3.29Å
178P75.2Confident68.6Low57 Ų5774.7 Ų74.737%0.3744%0.435SS..PPolyproline II helixtrans-69.1139.8-178.228.2-35.1000111.6W103 P180W103-P178 HydrophobicContact CB-CG 4.5Å; W103-P178 VanDerWaalsContact CD1-CG 3.44Å; W103-P178 HydrophobicContact CG-CG 4.05Å; P178-P180 WeakPolarHBondContact O-CD 3.35Å
179D73.4Confident71.1Confident86 Ų8673.8 Ų73.846%0.4642%0.418SS..PPolyproline II helixtrans-70.6117.8174.5170.321000110.5K181 S182D179-K181 PolarHBondContact O-N 3.21Å; D179-K181 WeakPolarHBondContact OD1-CB 3.43Å; D179-K181 PolarHBondContact OD1-N 3.47Å; D179-S182 WeakPolarHBondContact O-CB 3.33Å; D179-S182 PolarHBondContact O-N 2.66Å; D179-S182 PolarHBondContact O-OG 2.85Å
180P72.6Confident73.6Confident120 Ų12071.6 Ų71.678%0.77940%0.397SS*.THydrogen-bonded Turntrans-68.7-10.2179.230.5-36.9000114.2P178P178-P180 WeakPolarHBondContact O-CD 3.35Å
181K74.3Confident76.2Confident117 Ų11762.4 Ų62.451%0.50935%0.354SS..THydrogen-bonded Turntrans-84.7-15.7169.1-71.7-162.9171.7-151.70113.3D179 D401 L403D179-K181 PolarHBondContact O-N 3.21Å; D179-K181 WeakPolarHBondContact OD1-CB 3.43Å; D179-K181 PolarHBondContact OD1-N 3.47Å; K181-D401 PolarHBondContact NZ-O 3.35Å; K181-D401 IonicContact NZ-OD2 2.65Å; K181-D401 PolarHBondContact NZ-OD2 2.82Å; K181-L403 WeakPolarHBondContact O-CD1 3.31Å
182S83.3Confident78.6Confident66 Ų6658.9 Ų58.946%0.46232%0.317SS..SBendtrans-76.5142.5-174.670.10000112.7D179D179-S182 WeakPolarHBondContact O-CB 3.33Å; D179-S182 PolarHBondContact O-N 2.66Å; D179-S182 PolarHBondContact O-OG 2.85Å
183L87.3Confident80.7Confident31 Ų3157.1 Ų57.116%0.16231%0.309CS..PPolyproline II helixtrans-74.5137.2170.9-71.4174.7000110S185 Y239 C326 R330 L333 L403L183-S185 PolarHBondContact O-N 3.37Å; L183-Y239 HydrophobicContact CD2-CD1 4.12Å; L183-Y239 HydrophobicContact CD2-CE1 4.21Å; L183-C326 HydrophobicContact CB-CB 4.05Å; L183-R330 HydrophobicContact CD1-CB 4.21Å; L183-L333 HydrophobicContact CD1-CD2 4.01Å; L183-L333 HydrophobicContact CD2-CD2 4.41Å; L183-L403 HydrophobicContact CD1-CD1 4.25Å; L183-L403 HydrophobicContact CD2-CD1 4.35Å; L183-L403 HydrophobicContact CG-CD1 3.72Å
184P88.7Confident82.6Confident41 Ų4155.6 Ų55.627%0.26630%0.297SS..PPolyproline II helixtrans-54.2135.8171.6-25.334.2000111.6N189 L192 S329P184-N189 HydrophobicContact CB-CB 3.96Å; P184-L192 HydrophobicContact CB-CD2 4.05Å; P184-S329 WeakPolarHBondContact O-CB 3.43Å; P184-S329 PolarHBondContact O-OG 3.16Å
185S88.8Confident84.2Confident31 Ų3148.5 Ų48.522%0.21727%0.269CS..  trans-118.1156.7177.158.70000111.6L183 E188 N189 G325L183-S185 PolarHBondContact O-N 3.37Å; S185-E188 WeakPolarHBondContact CB-OE2 3.44Å; S185-E188 PolarHBondContact O-N 3.44Å; S185-E188 PolarHBondContact OG-OE2 3.13Å; S185-N189 WeakPolarHBondContact O-CB 3.42Å; S185-N189 PolarHBondContact O-N 2.9Å; S185-G325 WeakPolarHBondContact CA-O 3.27Å
186I89.9Confident85.5Confident20 Ų2049 Ų4910%0.10327%0.272CS..BIsolated β-bridgetrans-104.6132.9175.6-61.9175.8000107.4E188 L192 T193 I196 P324 G325 V328I186-E188 VanDerWaalsContact C-OE2 3.26Å; I186-L192 HydrophobicContact CD1-CD2 4.35Å; I186-L192 HydrophobicContact CD1-CG 4.2Å; I186-L192 HydrophobicContact CG1-CD2 4.08Å; I186-L192 HydrophobicContact CG1-CG 4.13Å; I186-T193 HydrophobicContact CG2-CG2 4.14Å; I186-I196 HydrophobicContact CD1-CB 4.28Å; I186-I196 HydrophobicContact CD1-CG1 4.11Å; I186-I196 HydrophobicContact CD1-CG2 4.37Å; I186-P324 CarbonylContact O-C 3.52Å; I186-P324 WeakPolarHBondContact O-CA 3.33Å; I186-P324 WeakPolarHBondContact O-CB 3.4Å; I186-G325 PolarHBondContact N-O 2.88Å; I186-G325 PolarHBondContact O-N 3.24Å; I186-V328 HydrophobicContact CD1-CB 4.2Å; I186-V328 HydrophobicContact CD1-CG2 3.8Å
187P87.5Confident86.7Confident81 Ų8150 Ų5053%0.52628%0.282SS..THydrogen-bonded Turncis-89.83.33.937.2-37.6000115N189 T193P187-N189 PolarHBondContact O-N 2.72Å; P187-T193 WeakPolarHBondContact CA-OG1 3.44Å; P187-T193 HydrophobicContact CB-CG2 4.45Å; P187-T193 PolarHBondContact O-OG1 2.9Å
188E87.3Confident87.9Confident111 Ų11150.5 Ų50.552%0.51929%0.286SS..THydrogen-bonded Turntrans-65.1-37.8-165.8-58.974.8-161.800113.2E105 S185 I186E105-E188 WeakPolarHBondContact CG-O 3.35Å; S185-E188 WeakPolarHBondContact CB-OE2 3.44Å; S185-E188 PolarHBondContact O-N 3.44Å; S185-E188 PolarHBondContact OG-OE2 3.13Å; I186-E188 VanDerWaalsContact C-OE2 3.26Å
189N90.6Very high88.9Confident30 Ų3048.1 Ų48.116%0.1627%0.271CS..SBendtrans-87114.1172.7-175.3-102.9000110.3E105 P184 S185 P187 N191 L192 T193E105-N189 WeakPolarHBondContact OE1-CA 3.34Å; P184-N189 HydrophobicContact CB-CB 3.96Å; S185-N189 WeakPolarHBondContact O-CB 3.42Å; S185-N189 PolarHBondContact O-N 2.9Å; P187-N189 PolarHBondContact O-N 2.72Å; N189-N191 VanDerWaalsContact C-N 3.3Å; N189-N191 PolarHBondContact O-N 3.14Å; N189-N191 PolarHBondContact OD1-N 3.31Å; N189-L192 PolarHBondContact OD1-N 2.68Å; N189-T193 WeakPolarHBondContact O-CB 3.41Å; N189-T193 PolarHBondContact O-N 2.86Å; N189-T193 PolarHBondContact O-OG1 2.94Å
190R91.5Very high90Very high56 Ų5648.5 Ų48.521%0.21127%0.273CS..Hα-helixtrans-61.5-40.4-177.6-171.7175.8-172.51577.9111.5H68 E105 T193 E194 D584H68-R190 PolarHBondContact ND1-NH1 2.61Å; E105-R190 PolarHBondContact OE1-N 3.2Å; R190-T193 PolarHBondContact O-N 2.82Å; R190-E194 VanDerWaalsContact O-CB 3.28Å; R190-E194 WeakPolarHBondContact O-CB 3.44Å; R190-E194 PolarHBondContact O-N 3.12Å; R190-D584 IonicContact CZ-OD1 2.62Å; R190-D584 IonicContact NH2-OD1 3.08Å; R190-D584 PolarHBondContact NH2-OD1 2.96Å
191N94.8Very high91Very high5 Ų544.6 Ų44.63%0.02725%0.247CC..Hα-helixtrans-64.7-50.5-173.2-65.1-28.4000112.4F104 N189 L195 S229 H232 A233F104-N191 VanDerWaalsContact CD1-ND2 3.34Å; F104-N191 WeakPolarHBondContact CD1-ND2 3.38Å; F104-N191 VanDerWaalsContact CE1-ND2 3.26Å; F104-N191 WeakPolarHBondContact CE1-ND2 3.33Å; F104-N191 WeakPolarHBondContact CE2-ND2 3.42Å; F104-N191 WeakPolarHBondContact CG-ND2 3.45Å; F104-N191 VanDerWaalsContact CZ-ND2 3.35Å; F104-N191 WeakPolarHBondContact CZ-ND2 3.38Å; N189-N191 VanDerWaalsContact C-N 3.3Å; N189-N191 PolarHBondContact O-N 3.14Å; N189-N191 PolarHBondContact OD1-N 3.31Å; N191-L195 PolarHBondContact O-N 2.87Å; N191-L195 VanDerWaalsContact O-N 3.09Å; N191-S229 PolarHBondContact OD1-OG 3.21Å; N191-H232 HydrophobicContact CB-CB 4.24Å; N191-A233 HydrophobicContact CB-CB 4.25Å; N191-A233 WeakPolarHBondContact O-CB 3.45Å
192L94.3Very high92Very high5 Ų541 Ų413%0.02624%0.244CC..Hα-helixtrans-67.2-39.4178.8-177.763.5000112.1P184 I186 N189 L195 I196 A233 V328 S329P184-L192 HydrophobicContact CB-CD2 4.05Å; I186-L192 HydrophobicContact CD1-CD2 4.35Å; I186-L192 HydrophobicContact CD1-CG 4.2Å; I186-L192 HydrophobicContact CG1-CD2 4.08Å; I186-L192 HydrophobicContact CG1-CG 4.13Å; N189-L192 PolarHBondContact OD1-N 2.68Å; L192-L195 PolarHBondContact O-N 2.74Å; L192-I196 HydrophobicContact CD1-CG1 4.15Å; L192-I196 HydrophobicContact CG-CG1 4.48Å; L192-I196 WeakPolarHBondContact O-CG1 3.38Å; L192-I196 PolarHBondContact O-N 2.8Å; L192-I196 VanDerWaalsContact O-N 3.07Å; L192-A233 HydrophobicContact CD1-CB 4.46Å; L192-V328 HydrophobicContact CD1-CG1 3.95Å; L192-V328 HydrophobicContact CD2-CB 4.4Å; L192-V328 HydrophobicContact CD2-CG1 4.31Å; L192-V328 HydrophobicContact CG-CG1 4.44Å; L192-S329 WeakPolarHBondContact CD2-OG 3.35Å
193T94.3Very high92.6Very high18 Ų1839 Ų3911%0.1123%0.228CC..Hα-helixtrans-60.3-48.7177.9-57.50000111I186 P187 N189 R190 L195 I196 V197I186-T193 HydrophobicContact CG2-CG2 4.14Å; P187-T193 WeakPolarHBondContact CA-OG1 3.44Å; P187-T193 HydrophobicContact CB-CG2 4.45Å; P187-T193 PolarHBondContact O-OG1 2.9Å; N189-T193 WeakPolarHBondContact O-CB 3.41Å; N189-T193 PolarHBondContact O-N 2.86Å; N189-T193 PolarHBondContact O-OG1 2.94Å; R190-T193 PolarHBondContact O-N 2.82Å; T193-L195 PolarHBondContact O-N 2.85Å; T193-I196 PolarHBondContact O-N 2.81Å; T193-V197 WeakPolarHBondContact O-CB 3.28Å; T193-V197 VanDerWaalsContact O-CG2 3.29Å; T193-V197 WeakPolarHBondContact O-CG2 3.42Å; T193-V197 PolarHBondContact O-N 2.8Å
194E94.3Very high93.1Very high22 Ų2237.6 Ų37.610%0.10322%0.22CC..Hα-helixtrans-63.8-40.3178.1-172.979.1-175.800112R190 I196 V197 A198 T226R190-E194 VanDerWaalsContact O-CB 3.28Å; R190-E194 WeakPolarHBondContact O-CB 3.44Å; R190-E194 PolarHBondContact O-N 3.12Å; E194-I196 PolarHBondContact O-N 2.83Å; E194-V197 PolarHBondContact O-N 3.37Å; E194-A198 WeakPolarHBondContact O-CB 3.27Å; E194-A198 PolarHBondContact O-N 2.83Å; E194-T226 HydrophobicContact CG-CG2 4.19Å; E194-T226 WeakPolarHBondContact OE1-CA 3.42Å; E194-T226 VanDerWaalsContact OE1-CB 3.31Å; E194-T226 WeakPolarHBondContact OE1-CB 3.31Å; E194-T226 PolarHBondContact OE1-OG1 2.91Å
195L95.4Very high93.4Very high0 Ų036 Ų360%021%0.21CC..Hα-helixtrans-58.8-47.117517565.4000112N191 L192 T193 V197 A198 V199 L204 C230 A233 L234N191-L195 PolarHBondContact O-N 2.87Å; N191-L195 VanDerWaalsContact O-N 3.09Å; L192-L195 PolarHBondContact O-N 2.74Å; T193-L195 PolarHBondContact O-N 2.85Å; L195-V197 VanDerWaalsContact C-N 3.34Å; L195-A198 PolarHBondContact O-N 2.82Å; L195-V199 HydrophobicContact CD1-CB 4.04Å; L195-V199 HydrophobicContact CD1-CG2 3.77Å; L195-V199 WeakPolarHBondContact O-CB 3.33Å; L195-V199 PolarHBondContact O-N 2.88Å; L195-L204 HydrophobicContact CD1-CD1 4.35Å; L195-L204 HydrophobicContact CD2-CD1 3.96Å; L195-L204 HydrophobicContact CG-CD1 4.35Å; L195-C230 HydrophobicContact CD1-CB 3.98Å; L195-A233 HydrophobicContact CB-CB 3.81Å; L195-A233 HydrophobicContact CD2-CB 3.53Å; L195-A233 HydrophobicContact CG-CB 4.27Å; L195-L234 HydrophobicContact CD1-CD1 4.46Å; L195-L234 HydrophobicContact CD1-CD2 4.47Å; L195-L234 HydrophobicContact CD1-CG 4.18Å; L195-L234 HydrophobicContact CD2-CD2 4.26Å; L195-L234 HydrophobicContact CD2-CG 4.14Å
196I94.6Very high93.8Very high32 Ų3236.8 Ų36.816%0.16421%0.21CC..Hα-helixtrans-74.4-25-176.6-64.8-67.3000112.4I186 L192 T193 E194 L204 A321 V328I186-I196 HydrophobicContact CD1-CB 4.28Å; I186-I196 HydrophobicContact CD1-CG1 4.11Å; I186-I196 HydrophobicContact CD1-CG2 4.37Å; L192-I196 HydrophobicContact CD1-CG1 4.15Å; L192-I196 HydrophobicContact CG-CG1 4.48Å; L192-I196 WeakPolarHBondContact O-CG1 3.38Å; L192-I196 PolarHBondContact O-N 2.8Å; L192-I196 VanDerWaalsContact O-N 3.07Å; T193-I196 PolarHBondContact O-N 2.81Å; E194-I196 PolarHBondContact O-N 2.83Å; I196-L204 HydrophobicContact CD1-CD2 3.56Å; I196-A321 HydrophobicContact CG2-CB 3.6Å; I196-V328 HydrophobicContact CD1-CG1 3.68Å; I196-V328 HydrophobicContact CD1-CG2 4.42Å; I196-V328 HydrophobicContact CG1-CG1 3.98Å; I196-V328 HydrophobicContact CG1-CG2 4.43Å
197V93.6Very high94.1Very high109 Ų10935.9 Ų35.966%0.66121%0.205SC*.Hα-helixtrans-80.7-31.7173170.20000112.2T193 E194 L195T193-V197 WeakPolarHBondContact O-CB 3.28Å; T193-V197 VanDerWaalsContact O-CG2 3.29Å; T193-V197 WeakPolarHBondContact O-CG2 3.42Å; T193-V197 PolarHBondContact O-N 2.8Å; E194-V197 PolarHBondContact O-N 3.37Å; L195-V197 VanDerWaalsContact C-N 3.34Å
198A94.9Very high94.6Very high22 Ų2232 Ų3218%0.18218%0.18CC..Hα-helixtrans-99.2-24.3-172.700000115.3E194 L195 T226 V290 N293E194-A198 WeakPolarHBondContact O-CB 3.27Å; E194-A198 PolarHBondContact O-N 2.83Å; L195-A198 PolarHBondContact O-N 2.82Å; A198-T226 HydrophobicContact CB-CG2 3.48Å; A198-T226 VanDerWaalsContact CB-CG2 3.48Å; A198-V290 HydrophobicContact CB-CG1 3.77Å; A198-N293 PolarHBondContact O-ND2 2.84Å
199V96.1Very high95Very high7 Ų726.7 Ų26.74%0.04216%0.155CC..SBendtrans-117.8124.7-174.1-177.40000111.7L195 N203 L204 L288 V290 N293L195-V199 HydrophobicContact CD1-CB 4.04Å; L195-V199 HydrophobicContact CD1-CG2 3.77Å; L195-V199 WeakPolarHBondContact O-CB 3.33Å; L195-V199 PolarHBondContact O-N 2.88Å; V199-N203 HydrophobicContact CG1-CB 3.82Å; V199-L204 HydrophobicContact CG1-CB 4.23Å; V199-L288 HydrophobicContact CG1-CD2 3.85Å; V199-L288 HydrophobicContact CG2-CD2 3.97Å; V199-V290 HydrophobicContact CG2-CG1 4.04Å; V199-V290 HydrophobicContact CG2-CG2 4.27Å; V199-N293 WeakPolarHBondContact CA-OD1 3.37Å
200D95.4Very high95.3Very high94 Ų9425.3 Ų25.350%0.50315%0.148SC..  trans-57.9141.3177.7-79.2-44.4000112.3G202 N203 L204 N293D200-G202 PolarHBondContact O-N 3.27Å; D200-N203 HydrophobicContact CB-CB 4.46Å; D200-N203 PolarHBondContact O-N 3.25Å; D200-L204 PolarHBondContact O-N 3.41Å; D200-N293 PolarHBondContact N-OD1 3.23Å; D200-N293 VanDerWaalsContact OD2-CB 3.28Å; D200-N293 WeakPolarHBondContact OD2-CB 3.22Å
201V94.8Very high95.6Very high38 Ų3822.7 Ų22.723%0.2314%0.138CC..Hα-helixtrans-53.8-32.3178.5-1790000112.2L205 K314 L317V201-L205 HydrophobicContact CG1-CD1 4.13Å; V201-L205 WeakPolarHBondContact O-CD1 3.43Å; V201-L205 WeakPolarHBondContact O-CG 3.4Å; V201-L205 PolarHBondContact O-N 3.48Å; V201-L205 VanDerWaalsContact O-N 3.13Å; V201-K314 HydrophobicContact CG1-CG 4.39Å; V201-L317 HydrophobicContact CG1-CB 3.86Å; V201-L317 HydrophobicContact CG1-CD1 4.11Å; V201-L317 HydrophobicContact CG2-CB 4.48Å
202G94.9Very high95.6Very high43 Ų4322.5 Ų22.544%0.44314%0.137SC..Hα-helixtrans-65.4-47.9174.200000113.3D200 L205 Q206D200-G202 PolarHBondContact O-N 3.27Å; G202-L205 PolarHBondContact O-N 2.93Å; G202-Q206 WeakPolarHBondContact O-CG 3.45Å; G202-Q206 PolarHBondContact O-N 2.97Å
203N96.3Very high95.7Very high24 Ų2423.2 Ų23.213%0.12814%0.14CC..Hα-helixtrans-66.7-39.6177.4-69.4-26.5000111.4V199 D200 L205 Q206 L207 L288 N293 L295V199-N203 HydrophobicContact CG1-CB 3.82Å; D200-N203 HydrophobicContact CB-CB 4.46Å; D200-N203 PolarHBondContact O-N 3.25Å; N203-L205 PolarHBondContact O-N 3.25Å; N203-Q206 PolarHBondContact O-N 2.96Å; N203-L207 WeakPolarHBondContact O-CG 3.33Å; N203-L207 PolarHBondContact O-N 3.16Å; N203-L288 HydrophobicContact CB-CD1 4.27Å; N203-N293 PolarHBondContact ND2-O 3.47Å; N203-N293 PolarHBondContact ND2-OD1 2.91Å; N203-L295 WeakPolarHBondContact OD1-CB 3.32Å
204L96.3Very high95.7Very high1 Ų123.4 Ų23.41%0.00514%0.139CC..Hα-helixtrans-62.5-39.9177.7179.457.1000112.5L195 I196 V199 D200 L207 Y208 L234 L317 F332L195-L204 HydrophobicContact CD1-CD1 4.35Å; L195-L204 HydrophobicContact CD2-CD1 3.96Å; L195-L204 HydrophobicContact CG-CD1 4.35Å; I196-L204 HydrophobicContact CD1-CD2 3.56Å; V199-L204 HydrophobicContact CG1-CB 4.23Å; D200-L204 PolarHBondContact O-N 3.41Å; L204-L207 PolarHBondContact O-N 2.93Å; L204-Y208 WeakPolarHBondContact O-CB 3.44Å; L204-Y208 PolarHBondContact O-N 3.09Å; L204-L234 HydrophobicContact CD1-CD2 3.8Å; L204-L317 HydrophobicContact CD2-CD1 4.31Å; L204-F332 HydrophobicContact CD1-CZ 4.16Å; L204-F332 HydrophobicContact CD2-CE2 4.33Å; L204-F332 HydrophobicContact CD2-CZ 3.93Å; L204-F332 HydrophobicContact CG-CZ 3.93Å
205L96.3Very high95.8Very high8 Ų824.9 Ų24.94%0.04214%0.144CC..Hα-helixtrans-66.5-37.6174.7-70.7163.9000112.4V201 G202 N203 A209 M310 L313 K314 L317V201-L205 HydrophobicContact CG1-CD1 4.13Å; V201-L205 WeakPolarHBondContact O-CD1 3.43Å; V201-L205 WeakPolarHBondContact O-CG 3.4Å; V201-L205 PolarHBondContact O-N 3.48Å; V201-L205 VanDerWaalsContact O-N 3.13Å; G202-L205 PolarHBondContact O-N 2.93Å; N203-L205 PolarHBondContact O-N 3.25Å; L205-A209 WeakPolarHBondContact O-CB 3.28Å; L205-A209 PolarHBondContact O-N 3.37Å; L205-M310 HydrophobicContact CB-CE 4.02Å; L205-M310 HydrophobicContact CD2-CE 3.69Å; L205-M310 HydrophobicContact CG-CE 4.46Å; L205-L313 HydrophobicContact CD2-CB 4.22Å; L205-L313 HydrophobicContact CD2-CD2 3.63Å; L205-L313 HydrophobicContact CD2-CG 3.74Å; L205-K314 HydrophobicContact CD1-CB 3.64Å; L205-K314 HydrophobicContact CD1-CD 3.98Å; L205-K314 HydrophobicContact CD1-CG 3.71Å; L205-L317 HydrophobicContact CD2-CD1 4.18Å
206Q96.6Very high95.9Very high46 Ų4626.8 Ų26.822%0.21515%0.151CC..Hα-helixtrans-70.8-38.3175.9-69.6-77.615.700112.3G202 N203 A209 S210 L295 L302G202-Q206 WeakPolarHBondContact O-CG 3.45Å; G202-Q206 PolarHBondContact O-N 2.97Å; N203-Q206 PolarHBondContact O-N 2.96Å; Q206-A209 PolarHBondContact O-N 3.37Å; Q206-S210 WeakPolarHBondContact O-CB 3.15Å; Q206-S210 PolarHBondContact O-N 3.42Å; Q206-S210 PolarHBondContact O-OG 2.98Å; Q206-L295 HydrophobicContact CB-CD2 3.31Å; Q206-L295 HydrophobicContact CG-CD2 3.87Å; Q206-L302 HydrophobicContact CG-CD2 4.29Å; Q206-L302 VanDerWaalsContact OE1-CB 3.27Å
207L97.1Very high96.1Very high1 Ų125.3 Ų25.31%0.00514%0.144CC..Hα-helixtrans-64.2-47.2172.3-78.9177.2000111.5N203 L204 A209 S210 M211 I217 L234 V286 L288 L295N203-L207 WeakPolarHBondContact O-CG 3.33Å; N203-L207 PolarHBondContact O-N 3.16Å; L204-L207 PolarHBondContact O-N 2.93Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 3.44Å; L207-S210 CarbonylContact O-C 3.51Å; L207-S210 WeakPolarHBondContact O-CB 3.14Å; L207-S210 PolarHBondContact O-N 2.93Å; L207-S210 VanDerWaalsContact O-N 3.09Å; L207-M211 WeakPolarHBondContact O-CG 3.32Å; L207-M211 PolarHBondContact O-N 3.04Å; L207-I217 HydrophobicContact CD2-CG2 3.78Å; L207-L234 HydrophobicContact CB-CD2 4.06Å; L207-L234 HydrophobicContact CD1-CD1 3.82Å; L207-L234 HydrophobicContact CD1-CD2 4.09Å; L207-V286 HydrophobicContact CD2-CG1 4.49Å; L207-L288 HydrophobicContact CD1-CD2 3.55Å; L207-L288 HydrophobicContact CD2-CB 4.45Å; L207-L288 HydrophobicContact CG-CD2 4.47Å; L207-L295 HydrophobicContact CD2-CD1 4.25Å; L207-L295 HydrophobicContact CG-CD1 4.48Å
208Y96.8Very high96.3Very high0 Ų020.1 Ų20.10%011%0.112CC..Hα-helixtrans-57.9-43.5175.2176.4-106.2000111.2L204 M211 L212 V237 L238 M310 L313 F332 A335 Q336L204-Y208 WeakPolarHBondContact O-CB 3.44Å; L204-Y208 PolarHBondContact O-N 3.09Å; Y208-M211 PolarHBondContact O-N 2.8Å; Y208-L212 HydrophobicContact CD1-CD1 3.98Å; Y208-L212 HydrophobicContact CE1-CD1 3.51Å; Y208-L212 HydrophobicContact CE1-CG 4.43Å; Y208-L212 HydrophobicContact CE2-CD1 4.34Å; Y208-L212 HydrophobicContact CE2-CG 4.5Å; Y208-L212 WeakPolarHBondContact O-CG 3.17Å; Y208-L212 PolarHBondContact O-N 2.89Å; Y208-V237 HydrophobicContact CD2-CG2 4.22Å; Y208-L238 HydrophobicContact CE2-CD2 4.48Å; Y208-M310 HydrophobicContact CD1-CE 3.94Å; Y208-M310 HydrophobicContact CD1-SD 4.16Å; Y208-M310 HydrophobicContact CE1-SD 4.14Å; Y208-L313 HydrophobicContact CD1-CD2 3.99Å; Y208-L313 HydrophobicContact CE1-CD2 3.91Å; Y208-F332 HydrophobicContact CD1-CE1 4.44Å; Y208-F332 AromaticContact CD2-CD1 3.77Å; Y208-F332 HydrophobicContact CD2-CD1 3.77Å; Y208-F332 AromaticContact CD2-CE1 3.81Å; Y208-F332 HydrophobicContact CD2-CE1 3.81Å; Y208-F332 AromaticContact CE2-CD1 3.8Å; Y208-F332 HydrophobicContact CE2-CD1 3.8Å; Y208-F332 HydrophobicContact CE2-CE1 4.3Å; Y208-F332 HydrophobicContact CG-CD1 4.22Å; Y208-F332 AromaticContact CG-CE1 3.89Å; Y208-F332 HydrophobicContact CG-CE1 3.89Å; Y208-A335 HydrophobicContact CE1-CB 4.48Å; Y208-Q336 PolarHBondContact OH-OE1 3.46Å
209A96.4Very high96.4Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-60.1-45.8171.900000112.4L205 Q206 L207 M211 L212 F213 D301 L302 I305L205-A209 WeakPolarHBondContact O-CB 3.28Å; L205-A209 PolarHBondContact O-N 3.37Å; Q206-A209 PolarHBondContact O-N 3.37Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 3.44Å; A209-M211 VanDerWaalsContact C-N 3.26Å; A209-M211 PolarHBondContact O-N 3.36Å; A209-L212 PolarHBondContact O-N 3.06Å; A209-L212 VanDerWaalsContact O-N 3.09Å; A209-F213 WeakPolarHBondContact O-CD2 3.16Å; A209-F213 PolarHBondContact O-N 3.27Å; A209-F213 VanDerWaalsContact O-N 3.14Å; A209-D301 HydrophobicContact CB-CB 4.46Å; A209-L302 HydrophobicContact CB-CB 4.29Å; A209-L302 HydrophobicContact CB-CD1 4.45Å; A209-I305 HydrophobicContact CB-CD1 3.53Å
210S96.9Very high96.5Very high0 Ų018.8 Ų18.80%010%0.102CC..Hα-helixtrans-61.2-34177.5-56.70000112.5Q206 L207 F213 E214 R215Q206-S210 WeakPolarHBondContact O-CB 3.15Å; Q206-S210 PolarHBondContact O-N 3.42Å; Q206-S210 PolarHBondContact O-OG 2.98Å; L207-S210 CarbonylContact O-C 3.51Å; L207-S210 WeakPolarHBondContact O-CB 3.14Å; L207-S210 PolarHBondContact O-N 2.93Å; L207-S210 VanDerWaalsContact O-N 3.09Å; S210-F213 PolarHBondContact O-N 2.94Å; S210-E214 PolarHBondContact O-N 3.03Å; S210-R215 WeakPolarHBondContact O-CB 3.48Å; S210-R215 VanDerWaalsContact O-CG 3.29Å; S210-R215 WeakPolarHBondContact O-CG 3.13Å; S210-R215 PolarHBondContact O-N 2.86Å
211M96.6Very high96.5Very high1 Ų114.4 Ų14.41%0.0058%0.079CC..Hα-helixtrans-71.3-39174.1-67.6179.974.700111.5L207 Y208 A209 F213 E214 I217 L234 L238 W243 L266 F382L207-M211 WeakPolarHBondContact O-CG 3.32Å; L207-M211 PolarHBondContact O-N 3.04Å; Y208-M211 PolarHBondContact O-N 2.8Å; A209-M211 VanDerWaalsContact C-N 3.26Å; A209-M211 PolarHBondContact O-N 3.36Å; M211-F213 PolarHBondContact O-N 3.12Å; M211-E214 PolarHBondContact O-N 3.49Å; M211-I217 HydrophobicContact CB-CD1 4.33Å; M211-I217 HydrophobicContact CG-CD1 3.38Å; M211-L234 HydrophobicContact CE-CB 4.25Å; M211-L234 WeakPolarHBondContact CE-O 3.38Å; M211-L234 HydrophobicContact SD-CB 3.76Å; M211-L234 HydrophobicContact SD-CD2 4.17Å; M211-L234 HydrophobicContact SD-CG 4.49Å; M211-L238 HydrophobicContact CB-CD2 4.21Å; M211-L238 HydrophobicContact CE-CD1 3.72Å; M211-L238 HydrophobicContact CE-CG 4.01Å; M211-W243 HydrophobicContact CB-CZ3 4.25Å; M211-W243 HydrophobicContact CE-CE3 4.21Å; M211-W243 HydrophobicContact CG-CZ3 4.41Å; M211-L266 HydrophobicContact CE-CD2 3.76Å; M211-L266 HydrophobicContact SD-CD2 4.49Å; M211-F382 WeakPolarHBondContact O-CE1 3.44Å
212L95.7Very high96.4Very high1 Ų115.1 Ų15.11%0.0059%0.085CC..Hα-helixtrans-67.5-12.8174.8-70.6177.7000114.4Y208 A209 L238 I305 L339 F340 L380 F382Y208-L212 HydrophobicContact CD1-CD1 3.98Å; Y208-L212 HydrophobicContact CE1-CD1 3.51Å; Y208-L212 HydrophobicContact CE1-CG 4.43Å; Y208-L212 HydrophobicContact CE2-CD1 4.34Å; Y208-L212 HydrophobicContact CE2-CG 4.5Å; Y208-L212 WeakPolarHBondContact O-CG 3.17Å; Y208-L212 PolarHBondContact O-N 2.89Å; A209-L212 PolarHBondContact O-N 3.06Å; A209-L212 VanDerWaalsContact O-N 3.09Å; L212-L238 HydrophobicContact CD2-CD2 4.25Å; L212-I305 HydrophobicContact CD1-CD1 3.85Å; L212-L339 HydrophobicContact CD1-CD1 3.66Å; L212-F340 HydrophobicContact CD2-CE2 3.77Å; L212-F340 HydrophobicContact CD2-CZ 4.02Å; L212-L380 WeakPolarHBondContact O-CD1 3.18Å; L212-F382 HydrophobicContact CD2-CE2 4.35Å; L212-F382 HydrophobicContact CD2-CZ 3.79Å
213F95.6Very high96.3Very high21 Ų2115.4 Ų15.49%0.0927%0.074CC..THydrogen-bonded Turntrans-109.118.2169.5-73.7-82.5000113A209 S210 M211 R215 D301 K304 I305 F373A209-F213 WeakPolarHBondContact O-CD2 3.16Å; A209-F213 PolarHBondContact O-N 3.27Å; A209-F213 VanDerWaalsContact O-N 3.14Å; S210-F213 PolarHBondContact O-N 2.94Å; M211-F213 PolarHBondContact O-N 3.12Å; F213-R215 VanDerWaalsContact C-N 3.31Å; F213-R215 HydrophobicContact CB-CG 4.31Å; F213-R215 PolarHBondContact O-N 2.89Å; F213-D301 HydrophobicContact CD2-CB 3.62Å; F213-D301 HydrophobicContact CE2-CB 4.06Å; F213-D301 HydrophobicContact CG-CB 4.32Å; F213-K304 HydrophobicContact CE1-CB 4.29Å; F213-K304 HydrophobicContact CE1-CD 3.93Å; F213-K304 HydrophobicContact CE2-CB 3.93Å; F213-K304 HydrophobicContact CE2-CD 4.29Å; F213-K304 HydrophobicContact CZ-CB 3.44Å; F213-K304 VanDerWaalsContact CZ-CB 3.44Å; F213-K304 HydrophobicContact CZ-CD 3.79Å; F213-K304 HydrophobicContact CZ-CG 4.27Å; F213-I305 HydrophobicContact CE2-CD1 4.3Å; F213-I305 HydrophobicContact CE2-CG1 3.88Å; F213-F373 HydrophobicContact CZ-CD2 4.18Å
214E95.9Very high96.2Very high22 Ų2214.3 Ų14.310%0.1037%0.068CC..THydrogen-bonded Turntrans42.654.7-177.5-70.6-173.615700112.3S210 M211 W243 H245 P264 L380 Q381 F382S210-E214 PolarHBondContact O-N 3.03Å; M211-E214 PolarHBondContact O-N 3.49Å; E214-W243 HydrophobicContact CB-CH2 4.37Å; E214-W243 HydrophobicContact CG-CZ3 4.26Å; E214-H245 IonicContact OE1-CD2 2.68Å; E214-H245 IonicContact OE1-NE2 3.04Å; E214-H245 PolarHBondContact OE1-NE2 2.81Å; E214-H245 IonicContact OE2-CD2 2.68Å; E214-H245 IonicContact OE2-CE1 3.06Å; E214-H245 IonicContact OE2-NE2 2.69Å; E214-H245 PolarHBondContact OE2-NE2 2.74Å; E214-P264 HydrophobicContact CB-CB 3.99Å; E214-P264 HydrophobicContact CB-CG 3.88Å; E214-P264 WeakPolarHBondContact O-CB 3.5Å; E214-P264 WeakPolarHBondContact O-CG 3.23Å; E214-L380 HydrophobicContact CB-CD2 4.22Å; E214-L380 HydrophobicContact CG-CB 4.43Å; E214-L380 HydrophobicContact CG-CD2 3.98Å; E214-Q381 VanDerWaalsContact CD-N 3.33Å; E214-Q381 PolarHBondContact OE1-N 2.83Å; E214-Q381 PolarHBondContact OE2-N 2.99Å; E214-F382 HydrophobicContact CG-CD1 3.67Å; E214-F382 HydrophobicContact CG-CE1 3.77Å; E214-F382 WeakPolarHBondContact OE1-CD1 3.37Å; E214-F382 PolarHBondContact OE1-N 3Å
215R96.4Very high96.1Very high53 Ų5314.4 Ų14.420%0.27%0.069CC..  trans-76.6164.5179-63.6-50.9-171.7-167.7-6.1113.7S210 F213 I217 W243 Y265 V286 F299 D301S210-R215 WeakPolarHBondContact O-CB 3.48Å; S210-R215 VanDerWaalsContact O-CG 3.29Å; S210-R215 WeakPolarHBondContact O-CG 3.13Å; S210-R215 PolarHBondContact O-N 2.86Å; F213-R215 VanDerWaalsContact C-N 3.31Å; F213-R215 HydrophobicContact CB-CG 4.31Å; F213-R215 PolarHBondContact O-N 2.89Å; R215-I217 HydrophobicContact CB-CG1 4.02Å; R215-I217 PolarHBondContact O-N 3.2Å; R215-W243 WeakPolarHBondContact O-CH2 3.17Å; R215-Y265 PolarHBondContact O-N 2.91Å; R215-V286 HydrophobicContact CB-CG2 4.14Å; R215-V286 HydrophobicContact CG-CG2 4.36Å; R215-F299 HydrophobicContact CB-CE2 4.43Å; R215-F299 HydrophobicContact CG-CD2 4.03Å; R215-F299 HydrophobicContact CG-CE2 4.04Å; R215-D301 IonicContact CZ-OD1 3.21Å; R215-D301 IonicContact CZ-OD2 2.72Å; R215-D301 IonicContact NE-OD1 3.94Å; R215-D301 IonicContact NE-OD2 2.8Å; R215-D301 PolarHBondContact NE-OD2 3.43Å; R215-D301 IonicContact NH2-OD1 2.97Å; R215-D301 PolarHBondContact NH2-OD1 2.92Å; R215-D301 IonicContact NH2-OD2 3.2Å; R215-D301 PolarHBondContact NH2-OD2 3.02Å
216R97.3Very high96.1Very high39 Ų3914.3 Ų14.315%0.1477%0.069CC..EExtended strand (participates in β ladder)trans-77.5102.3163.3-71.8-176.3-80.3144.1-3.7108A261 M263 Y265 E283 E284 V285 V286R216-A261 VanDerWaalsContact CD-O 3.31Å; R216-A261 WeakPolarHBondContact CD-O 3.29Å; R216-M263 WeakPolarHBondContact CD-O 3.49Å; R216-M263 WeakPolarHBondContact CG-O 3.49Å; R216-Y265 HydrophobicContact CB-CD1 4.11Å; R216-Y265 HydrophobicContact CB-CD2 4.48Å; R216-Y265 HydrophobicContact CB-CE1 3.74Å; R216-Y265 HydrophobicContact CB-CE2 4.13Å; R216-Y265 HydrophobicContact CB-CG 4.47Å; R216-Y265 HydrophobicContact CG-CD1 3.79Å; R216-Y265 HydrophobicContact CG-CE1 3.69Å; R216-Y265 HydrophobicContact CG-CG 4.42Å; R216-E283 PolarHBondContact NH1-O 2.75Å; R216-E283 PolarHBondContact NH2-O 2.73Å; R216-E284 IonicContact NH2-OE2 3.11Å; R216-E284 PolarHBondContact NH2-OE2 2.88Å; R216-V285 HydrophobicContact CB-CG2 4.19Å; R216-V285 WeakPolarHBondContact O-CG1 3.45Å; R216-V286 PolarHBondContact O-N 2.94Å
217I97.9Very high96.1Very high1 Ų112.1 Ų12.11%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-112.7124.3-173.3-57.5171.4000110.1L207 M211 R215 I219 Y265 L266 I267 V286L207-I217 HydrophobicContact CD2-CG2 3.78Å; M211-I217 HydrophobicContact CB-CD1 4.33Å; M211-I217 HydrophobicContact CG-CD1 3.38Å; R215-I217 HydrophobicContact CB-CG1 4.02Å; R215-I217 PolarHBondContact O-N 3.2Å; I217-I219 HydrophobicContact CG2-CG1 4.3Å; I217-Y265 PolarHBondContact N-O 2.82Å; I217-Y265 WeakPolarHBondContact O-CD2 3.5Å; I217-Y265 WeakPolarHBondContact O-CE2 3.19Å; I217-L266 HydrophobicContact CB-CD1 3.92Å; I217-L266 HydrophobicContact CG2-CD1 3.67Å; I217-I267 PolarHBondContact O-N 3.09Å; I217-V286 WeakPolarHBondContact CA-O 3.33Å; I217-V286 HydrophobicContact CG1-CB 4.35Å
218L97.6Very high96.1Very high0 Ų012.1 Ų12.10%06%0.059CC..EExtended strand (participates in β ladder)trans-120.8128.7180-167.969.6000110.1F220 Y265 I267 V269 V277 L282 V285 V286 I287 L288L218-F220 HydrophobicContact CD2-CE1 4.33Å; L218-F220 HydrophobicContact CD2-CE2 3.68Å; L218-F220 HydrophobicContact CD2-CZ 3.49Å; L218-F220 VanDerWaalsContact CD2-CZ 3.49Å; L218-F220 HydrophobicContact CG-CE2 4.22Å; L218-F220 HydrophobicContact CG-CZ 4.16Å; L218-Y265 HydrophobicContact CB-CE2 4.4Å; L218-I267 CarbonylContact C-O 3.54Å; L218-I267 WeakPolarHBondContact CA-O 3.5Å; L218-I267 HydrophobicContact CD1-CB 4Å; L218-I267 HydrophobicContact CD1-CG2 3.87Å; L218-V269 HydrophobicContact CD1-CG2 3.72Å; L218-V277 HydrophobicContact CD2-CG1 3.71Å; L218-L282 HydrophobicContact CD2-CD1 3.78Å; L218-V285 HydrophobicContact CB-CG1 3.87Å; L218-V286 PolarHBondContact N-O 3.45Å; L218-I287 HydrophobicContact CB-CG1 4.32Å; L218-I287 HydrophobicContact CD2-CG1 4.42Å; L218-I287 WeakPolarHBondContact O-CA 3.26Å; L218-L288 PolarHBondContact O-N 3.2Å
219I98.2Very high96.1Very high0 Ų012.1 Ų12.10%06%0.059CC..EExtended strand (participates in β ladder)trans-117.2130.9-179.6-54.4-172.2000109.3I217 L227 V231 L234 L266 I267 G268 V269 L288 V290I217-I219 HydrophobicContact CG2-CG1 4.3Å; I219-L227 HydrophobicContact CB-CD1 4.25Å; I219-L227 HydrophobicContact CG2-CD1 3.98Å; I219-L227 WeakPolarHBondContact O-CD1 3.5Å; I219-V231 HydrophobicContact CB-CG2 4.47Å; I219-V231 HydrophobicContact CD1-CG2 3.97Å; I219-L234 HydrophobicContact CD1-CD1 3.34Å; I219-L266 HydrophobicContact CD1-CD1 4.2Å; I219-I267 PolarHBondContact N-O 3.24Å; I219-G268 CarbonylContact O-C 3.53Å; I219-G268 WeakPolarHBondContact O-CA 3.16Å; I219-V269 PolarHBondContact O-N 3.45Å; I219-L288 CarbonylContact C-O 3.58Å; I219-L288 WeakPolarHBondContact CA-O 3.44Å; I219-V290 HydrophobicContact CG2-CG2 3.57Å
220F97.3Very high96.1Very high2 Ų212.2 Ų12.21%0.0096%0.059CC..EExtended strand (participates in β ladder)trans-111.6135174.3-67.4-68.4000111.5L218 V269 S274 V277 I287 L288 N289 V290L218-F220 HydrophobicContact CD2-CE1 4.33Å; L218-F220 HydrophobicContact CD2-CE2 3.68Å; L218-F220 HydrophobicContact CD2-CZ 3.49Å; L218-F220 VanDerWaalsContact CD2-CZ 3.49Å; L218-F220 HydrophobicContact CG-CE2 4.22Å; L218-F220 HydrophobicContact CG-CZ 4.16Å; F220-V269 WeakPolarHBondContact CA-O 3.47Å; F220-V269 HydrophobicContact CD1-CB 3.82Å; F220-V269 HydrophobicContact CD1-CG1 4.08Å; F220-V269 HydrophobicContact CE1-CB 3.65Å; F220-V269 HydrophobicContact CE1-CG1 3.71Å; F220-V269 HydrophobicContact CE1-CG2 4.45Å; F220-S274 VanDerWaalsContact CE1-CA 3.49Å; F220-V277 HydrophobicContact CZ-CB 4.23Å; F220-V277 HydrophobicContact CZ-CG1 4.21Å; F220-I287 HydrophobicContact CD2-CG2 3.61Å; F220-I287 HydrophobicContact CE2-CG2 3.52Å; F220-L288 PolarHBondContact N-O 3.26Å; F220-N289 HydrophobicContact CB-CB 4.46Å; F220-V290 PolarHBondContact O-N 2.67Å
221S95.9Very high96.2Very high2 Ų212.2 Ų12.21%0.0146%0.059CC..EExtended strand (participates in β ladder)trans-153.9152.4162-1750000112.6K223 H270 T271 D291S221-K223 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact OG-N 3.33Å; S221-H270 WeakPolarHBondContact O-CA 3.22Å; S221-H270 PolarHBondContact O-CD2 2.58Å; S221-T271 WeakPolarHBondContact CA-OG1 3.14Å; S221-T271 PolarHBondContact N-OG1 3.45Å; S221-T271 PolarHBondContact O-N 3.5Å; S221-T271 PolarHBondContact O-OG1 3.49Å; S221-D291 WeakPolarHBondContact CA-OD1 3.28Å; S221-D291 WeakPolarHBondContact CA-OD2 3.42Å; S221-D291 PolarHBondContact OG-OD1 3.44Å
222S92.4Very high96.2Very high53 Ų5312.9 Ų12.937%0.3716%0.062SC..SBendtrans-75.3-12.4172.5620000114.5H270 T271 D291S222-H270 PolarHBondContact O-NE2 3.27Å; S222-H270 VanDerWaalsContact O-NE2 3.14Å; S222-T271 PolarHBondContact N-OG1 3.29Å; S222-D291 WeakPolarHBondContact CB-OD1 3.41Å; S222-D291 WeakPolarHBondContact CB-OD2 3.33Å; S222-D291 VanDerWaalsContact N-CG 3.27Å; S222-D291 PolarHBondContact N-OD1 3.27Å; S222-D291 PolarHBondContact N-OD2 2.81Å; S222-D291 VanDerWaalsContact OG-CG 3.31Å; S222-D291 PolarHBondContact OG-OD1 3.47Å
223K92.7Very high96.2Very high48 Ų4813 Ų1321%0.2096%0.063CC..  trans-114.7122.7177.5-66.5-179-178.7-175.60109.4S221 S225 T226 L227 T580 S582S221-K223 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact OG-N 3.33Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 3.36Å; K223-T226 VanDerWaalsContact CB-OG1 3.28Å; K223-T226 WeakPolarHBondContact CB-OG1 3.35Å; K223-T226 PolarHBondContact O-N 3.47Å; K223-L227 WeakPolarHBondContact O-CB 3.48Å; K223-L227 PolarHBondContact O-N 2.85Å; K223-T580 PolarHBondContact NZ-O 3.45Å; K223-T580 PolarHBondContact NZ-OG1 2.94Å; K223-S582 PolarHBondContact NZ-OG 2.94Å
224L94Very high96.2Very high1 Ų112 Ų121%0.0056%0.059CC..Hα-helixtrans-68.6-30.7-179-61.3179.1000112P54 Y55 F69 L87 T228 V250 H270P54-L224 HydrophobicContact CG-CD1 4.27Å; P54-L224 HydrophobicContact CG-CD2 4.08Å; Y55-L224 HydrophobicContact CD1-CD1 3.98Å; Y55-L224 HydrophobicContact CE1-CD1 4.12Å; F69-L224 HydrophobicContact CB-CB 3.85Å; F69-L224 WeakPolarHBondContact CB-O 3.26Å; F69-L224 HydrophobicContact CD1-CB 3.82Å; F69-L224 HydrophobicContact CD1-CD1 3.84Å; F69-L224 HydrophobicContact CE1-CB 4.48Å; F69-L224 HydrophobicContact CE1-CD1 3.65Å; F69-L224 HydrophobicContact CG-CB 3.85Å; F69-L224 HydrophobicContact CG-CD1 4.41Å; F69-L224 HydrophobicContact CZ-CD1 4.08Å; L87-L224 HydrophobicContact CD2-CD1 3.97Å; L224-T228 PolarHBondContact O-N 2.92Å; L224-T228 VanDerWaalsContact O-N 3.09Å; L224-T228 PolarHBondContact O-OG1 2.92Å; L224-V250 HydrophobicContact CD2-CG2 4.25Å; L224-H270 HydrophobicContact CD2-CB 4.14Å
225S94Very high96.1Very high3 Ų311.6 Ų11.62%0.0216%0.058CC..Hα-helixtrans-58.2-59.4171.157.10000110.4H68 K223 L227 T228 S229H68-S225 WeakPolarHBondContact O-CA 3.34Å; H68-S225 WeakPolarHBondContact O-CB 3.19Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 3.36Å; S225-L227 VanDerWaalsContact C-N 3.34Å; S225-L227 PolarHBondContact O-N 3.43Å; S225-T228 PolarHBondContact O-N 3.44Å; S225-T228 PolarHBondContact O-OG1 2.9Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 3.29Å; S225-S229 PolarHBondContact O-OG 3.4Å
226T95.9Very high95.9Very high7 Ų711.2 Ų11.24%0.0437%0.067CC..Hα-helixtrans-58.7-45.6-178.2-43.40000111.3E194 A198 K223 C230 V290E194-T226 HydrophobicContact CG-CG2 4.19Å; E194-T226 WeakPolarHBondContact OE1-CA 3.42Å; E194-T226 VanDerWaalsContact OE1-CB 3.31Å; E194-T226 WeakPolarHBondContact OE1-CB 3.31Å; E194-T226 PolarHBondContact OE1-OG1 2.91Å; A198-T226 HydrophobicContact CB-CG2 3.48Å; A198-T226 VanDerWaalsContact CB-CG2 3.48Å; K223-T226 VanDerWaalsContact CB-OG1 3.28Å; K223-T226 WeakPolarHBondContact CB-OG1 3.35Å; K223-T226 PolarHBondContact O-N 3.47Å; T226-C230 WeakPolarHBondContact O-CB 3.5Å; T226-C230 PolarHBondContact O-N 3.38Å; T226-C230 PolarHBondContact O-SG 3.44Å; T226-V290 HydrophobicContact CG2-CG1 3.92Å
227L97.4Very high95.7Very high0 Ų09.8 Ų9.80%06%0.063CC..Hα-helixtrans-57-57.8178.3-176.959.5000112.9I219 K223 S225 C230 V231 V250 V269I219-L227 HydrophobicContact CB-CD1 4.25Å; I219-L227 HydrophobicContact CG2-CD1 3.98Å; I219-L227 WeakPolarHBondContact O-CD1 3.5Å; K223-L227 WeakPolarHBondContact O-CB 3.48Å; K223-L227 PolarHBondContact O-N 2.85Å; S225-L227 VanDerWaalsContact C-N 3.34Å; S225-L227 PolarHBondContact O-N 3.43Å; L227-C230 PolarHBondContact O-N 3.41Å; L227-V231 PolarHBondContact O-N 2.95Å; L227-V250 HydrophobicContact CD2-CB 4.26Å; L227-V250 HydrophobicContact CD2-CG2 3.75Å; L227-V269 VanDerWaalsContact CD2-C 3.47Å
228T97.4Very high95.5Very high0 Ų09.8 Ų9.80%06%0.062CC..Hα-helixtrans-69.3-40.3-176.456.70000111.6F69 T70 L224 S225 C230 V231 H232 P249 V250F69-T228 WeakPolarHBondContact CA-OG1 3.3Å; F69-T228 HydrophobicContact CB-CG2 4.04Å; F69-T228 WeakPolarHBondContact CB-OG1 3.47Å; F69-T228 HydrophobicContact CD2-CG2 4.23Å; T70-T228 PolarHBondContact N-OG1 3.1Å; T70-T228 WeakPolarHBondContact O-CG2 3.24Å; L224-T228 PolarHBondContact O-N 2.92Å; L224-T228 VanDerWaalsContact O-N 3.09Å; L224-T228 PolarHBondContact O-OG1 2.92Å; S225-T228 PolarHBondContact O-N 3.44Å; S225-T228 PolarHBondContact O-OG1 2.9Å; T228-C230 PolarHBondContact O-N 3.07Å; T228-V231 PolarHBondContact O-N 3.22Å; T228-H232 PolarHBondContact O-CD2 3.47Å; T228-H232 PolarHBondContact O-N 3.3Å; T228-P249 HydrophobicContact CG2-CB 4.06Å; T228-V250 HydrophobicContact CG2-CB 3.79Å; T228-V250 HydrophobicContact CG2-CG1 3.75Å
229S96.6Very high95.3Very high1 Ų112 Ų121%0.0077%0.071CC..Hα-helixtrans-60.1-42.5176.6-75.40000112.7N191 S225 H232 A233N191-S229 PolarHBondContact OD1-OG 3.21Å; S225-S229 WeakPolarHBondContact O-CB 3.36Å; S225-S229 PolarHBondContact O-N 3.29Å; S225-S229 PolarHBondContact O-OG 3.4Å; S229-H232 PolarHBondContact O-N 3.35Å; S229-A233 VanDerWaalsContact O-CB 3.27Å; S229-A233 WeakPolarHBondContact O-CB 3.4Å; S229-A233 PolarHBondContact O-N 3.04Å
230C97.3Very high95Very high1 Ų112.6 Ų12.61%0.0078%0.075CC..Hα-helixtrans-59.7-48.7174.4-71.10000111.5L195 T226 L227 T228 H232 A233 L234L195-C230 HydrophobicContact CD1-CB 3.98Å; T226-C230 WeakPolarHBondContact O-CB 3.5Å; T226-C230 PolarHBondContact O-N 3.38Å; T226-C230 PolarHBondContact O-SG 3.44Å; L227-C230 PolarHBondContact O-N 3.41Å; T228-C230 PolarHBondContact O-N 3.07Å; C230-H232 PolarHBondContact O-N 3.39Å; C230-A233 PolarHBondContact O-N 3.22Å; C230-L234 VanDerWaalsContact O-CB 3.27Å; C230-L234 WeakPolarHBondContact O-CB 3.48Å; C230-L234 WeakPolarHBondContact O-CD1 3.4Å; C230-L234 WeakPolarHBondContact O-CG 3.29Å; C230-L234 PolarHBondContact O-N 3.19Å
231V97.8Very high94.8Very high0 Ų012.6 Ų12.60%08%0.075CC..Hα-helixtrans-62.8-43.2179.91740000112.1I219 L227 T228 S235 F247 P249 L266I219-V231 HydrophobicContact CB-CG2 4.47Å; I219-V231 HydrophobicContact CD1-CG2 3.97Å; L227-V231 PolarHBondContact O-N 2.95Å; T228-V231 PolarHBondContact O-N 3.22Å; V231-S235 PolarHBondContact O-N 2.97Å; V231-S235 VanDerWaalsContact O-N 3.13Å; V231-F247 HydrophobicContact CG1-CD2 4.14Å; V231-F247 HydrophobicContact CG1-CE2 3.45Å; V231-F247 VanDerWaalsContact CG1-CE2 3.45Å; V231-F247 HydrophobicContact CG1-CZ 3.92Å; V231-P249 HydrophobicContact CB-CB 4.28Å; V231-P249 HydrophobicContact CG1-CB 4.11Å; V231-P249 HydrophobicContact CG1-CG 4.17Å; V231-L266 HydrophobicContact CG1-CD2 4.04Å; V231-L266 HydrophobicContact CG1-CG 3.9Å
232H96.7Very high94.7Very high15 Ų1515.8 Ų15.87%0.0699%0.087CC..Hα-helixtrans-64.4-46.2177.1-76.4-62.8000112.3T70 F104 N191 T228 S229 C230 S235 A236 F247T70-H232 PolarHBondContact O-NE2 2.62Å; F104-H232 AromaticContact CE1-CD2 3.76Å; F104-H232 AromaticContact CE1-CG 3.94Å; F104-H232 AromaticContact CE1-NE2 3.84Å; F104-H232 HydrophobicContact CZ-CB 4.4Å; F104-H232 AromaticContact CZ-CE1 3.97Å; F104-H232 AromaticContact CZ-CG 3.88Å; F104-H232 AromaticContact CZ-ND1 3.76Å; N191-H232 HydrophobicContact CB-CB 4.24Å; T228-H232 PolarHBondContact O-CD2 3.47Å; T228-H232 PolarHBondContact O-N 3.3Å; S229-H232 PolarHBondContact O-N 3.35Å; C230-H232 PolarHBondContact O-N 3.39Å; H232-S235 PolarHBondContact O-N 2.99Å; H232-A236 PolarHBondContact O-N 2.76Å; H232-A236 VanDerWaalsContact O-N 3.1Å; H232-F247 AromaticContact ND1-CZ 3.82Å
233A95.6Very high94.8Very high3 Ų313.3 Ų13.33%0.0257%0.07CC..Hα-helixtrans-67.3-36.8179.500000112.6N191 L192 L195 S229 C230 S235 A236 V237N191-A233 HydrophobicContact CB-CB 4.25Å; N191-A233 WeakPolarHBondContact O-CB 3.45Å; L192-A233 HydrophobicContact CD1-CB 4.46Å; L195-A233 HydrophobicContact CB-CB 3.81Å; L195-A233 HydrophobicContact CD2-CB 3.53Å; L195-A233 HydrophobicContact CG-CB 4.27Å; S229-A233 VanDerWaalsContact O-CB 3.27Å; S229-A233 WeakPolarHBondContact O-CB 3.4Å; S229-A233 PolarHBondContact O-N 3.04Å; C230-A233 PolarHBondContact O-N 3.22Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 3.23Å; A233-A236 WeakPolarHBondContact O-CB 3.31Å; A233-A236 PolarHBondContact O-N 3.16Å; A233-V237 PolarHBondContact O-N 3.41Å
234L95.7Very high94.9Very high1 Ų112.8 Ų12.81%0.0057%0.068CC..Hα-helixtrans-62.2-40.2173.1-76.1165.9000112L195 L204 L207 M211 I219 C230 A236 V237 L266L195-L234 HydrophobicContact CD1-CD1 4.46Å; L195-L234 HydrophobicContact CD1-CD2 4.47Å; L195-L234 HydrophobicContact CD1-CG 4.18Å; L195-L234 HydrophobicContact CD2-CD2 4.26Å; L195-L234 HydrophobicContact CD2-CG 4.14Å; L204-L234 HydrophobicContact CD1-CD2 3.8Å; L207-L234 HydrophobicContact CB-CD2 4.06Å; L207-L234 HydrophobicContact CD1-CD1 3.82Å; L207-L234 HydrophobicContact CD1-CD2 4.09Å; M211-L234 HydrophobicContact CE-CB 4.25Å; M211-L234 WeakPolarHBondContact CE-O 3.38Å; M211-L234 HydrophobicContact SD-CB 3.76Å; M211-L234 HydrophobicContact SD-CD2 4.17Å; M211-L234 HydrophobicContact SD-CG 4.49Å; I219-L234 HydrophobicContact CD1-CD1 3.34Å; C230-L234 VanDerWaalsContact O-CB 3.27Å; C230-L234 WeakPolarHBondContact O-CB 3.48Å; C230-L234 WeakPolarHBondContact O-CD1 3.4Å; C230-L234 WeakPolarHBondContact O-CG 3.29Å; C230-L234 PolarHBondContact O-N 3.19Å; L234-A236 PolarHBondContact O-N 3.33Å; L234-V237 VanDerWaalsContact O-CG2 3.24Å; L234-V237 WeakPolarHBondContact O-CG2 3.45Å; L234-L266 HydrophobicContact CB-CD2 4.45Å
235S94.1Very high94.9Very high13 Ų1315 Ų159%0.0918%0.079CC..Hα-helixtrans-69.3-21.3171.9-172.20000113.6V231 H232 A233V231-S235 PolarHBondContact O-N 2.97Å; V231-S235 VanDerWaalsContact O-N 3.13Å; H232-S235 PolarHBondContact O-N 2.99Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 3.23Å
236A92.3Very high95Very high46 Ų4617.3 Ų17.338%0.389%0.09SC..Hα-helixtrans-82.1-32.4179.300000113H232 A233 L234 L238 Y239H232-A236 PolarHBondContact O-N 2.76Å; H232-A236 VanDerWaalsContact O-N 3.1Å; A233-A236 WeakPolarHBondContact O-CB 3.31Å; A233-A236 PolarHBondContact O-N 3.16Å; L234-A236 PolarHBondContact O-N 3.33Å; A236-L238 PolarHBondContact O-N 2.93Å; A236-Y239 VanDerWaalsContact O-CB 3.32Å; A236-Y239 WeakPolarHBondContact O-CB 3.48Å; A236-Y239 PolarHBondContact O-N 3.07Å; A236-Y239 VanDerWaalsContact O-N 3.12Å
237V92.8Very high95.1Very high9 Ų917.1 Ų17.16%0.0559%0.088CC..THydrogen-bonded Turntrans-70.6-7.3178.9-62.80000114.3Y208 A233 L234 Y239 F332Y208-V237 HydrophobicContact CD2-CG2 4.22Å; A233-V237 PolarHBondContact O-N 3.41Å; L234-V237 VanDerWaalsContact O-CG2 3.24Å; L234-V237 WeakPolarHBondContact O-CG2 3.45Å; V237-Y239 VanDerWaalsContact C-N 3.32Å; V237-F332 HydrophobicContact CB-CB 3.97Å; V237-F332 HydrophobicContact CB-CD1 3.85Å; V237-F332 HydrophobicContact CB-CD2 3.86Å; V237-F332 HydrophobicContact CB-CE1 4.27Å; V237-F332 HydrophobicContact CB-CE2 4.28Å; V237-F332 HydrophobicContact CB-CG 3.63Å; V237-F332 HydrophobicContact CB-CZ 4.47Å; V237-F332 HydrophobicContact CG1-CB 4.29Å; V237-F332 HydrophobicContact CG1-CD1 4.29Å; V237-F332 HydrophobicContact CG1-CD2 3.4Å; V237-F332 VanDerWaalsContact CG1-CD2 3.4Å; V237-F332 HydrophobicContact CG1-CE1 4.49Å; V237-F332 HydrophobicContact CG1-CE2 3.66Å; V237-F332 HydrophobicContact CG1-CG 3.75Å; V237-F332 HydrophobicContact CG1-CZ 4.21Å; V237-F332 HydrophobicContact CG2-CD1 4.31Å; V237-F332 HydrophobicContact CG2-CE1 4.35Å
238L94.1Very high95.1Very high0 Ų018.3 Ų18.30%010%0.095CC..THydrogen-bonded Turntrans-77.5-13169.6-67.8-176.3000113.7Y208 M211 L212 A236 M241 W243 Q336Y208-L238 HydrophobicContact CE2-CD2 4.48Å; M211-L238 HydrophobicContact CB-CD2 4.21Å; M211-L238 HydrophobicContact CE-CD1 3.72Å; M211-L238 HydrophobicContact CE-CG 4.01Å; L212-L238 HydrophobicContact CD2-CD2 4.25Å; A236-L238 PolarHBondContact O-N 2.93Å; L238-M241 CarbonylContact C-O 3.6Å; L238-M241 VanDerWaalsContact CB-O 3.32Å; L238-M241 WeakPolarHBondContact CB-O 3.41Å; L238-M241 WeakPolarHBondContact O-CA 3.17Å; L238-M241 WeakPolarHBondContact O-CB 3.04Å; L238-M241 PolarHBondContact O-N 3.33Å; L238-W243 HydrophobicContact CD1-CE3 4.28Å; L238-Q336 PolarHBondContact O-NE2 3.32Å
239Y93.3Very high95.1Very high47 Ų4718.3 Ų18.318%0.18410%0.095CC..THydrogen-bonded Turntrans-47.7130-177.2171.6-86.7000111.8L183 A236 V237 M241 L333 L403L183-Y239 HydrophobicContact CD2-CD1 4.12Å; L183-Y239 HydrophobicContact CD2-CE1 4.21Å; A236-Y239 VanDerWaalsContact O-CB 3.32Å; A236-Y239 WeakPolarHBondContact O-CB 3.48Å; A236-Y239 PolarHBondContact O-N 3.07Å; A236-Y239 VanDerWaalsContact O-N 3.12Å; V237-Y239 VanDerWaalsContact C-N 3.32Å; Y239-M241 PolarHBondContact N-O 3.44Å; Y239-L333 HydrophobicContact CD1-CD1 3.77Å; Y239-L333 HydrophobicContact CE1-CD1 3.76Å; Y239-L403 HydrophobicContact CE1-CB 4.47Å
240P92.2Very high95.1Very high13 Ų1318.3 Ų18.38%0.0849%0.094CC..THydrogen-bonded Turncis-83.41.516.337.5-42.2000115.4Y242 F386 F404P240-Y242 VanDerWaalsContact O-CE2 3.22Å; P240-Y242 WeakPolarHBondContact O-CE2 3.36Å; P240-F386 HydrophobicContact CB-CD2 4.31Å; P240-F386 HydrophobicContact CB-CE2 4.05Å; P240-F386 HydrophobicContact CG-CD2 3.92Å; P240-F386 HydrophobicContact CG-CE2 3.52Å; P240-F386 HydrophobicContact CG-CZ 4.34Å; P240-F404 HydrophobicContact CB-CB 4.19Å; P240-F404 HydrophobicContact CB-CG 4.35Å; P240-F404 HydrophobicContact CG-CB 3.88Å; P240-F404 HydrophobicContact CG-CD1 3.63Å; P240-F404 HydrophobicContact CG-CD2 3.78Å; P240-F404 HydrophobicContact CG-CE1 3.93Å; P240-F404 HydrophobicContact CG-CE2 4.07Å; P240-F404 HydrophobicContact CG-CG 3.52Å; P240-F404 HydrophobicContact CG-CZ 4.14Å
241M93.6Very high95Very high2 Ų218.2 Ų18.21%0.019%0.094CC..SBendtrans-92.4156.8-177.9-47.5-175.7-174.700110.3L238 Y239 F340 F382 F383 F386L238-M241 CarbonylContact C-O 3.6Å; L238-M241 VanDerWaalsContact CB-O 3.32Å; L238-M241 WeakPolarHBondContact CB-O 3.41Å; L238-M241 WeakPolarHBondContact O-CA 3.17Å; L238-M241 WeakPolarHBondContact O-CB 3.04Å; L238-M241 PolarHBondContact O-N 3.33Å; Y239-M241 PolarHBondContact N-O 3.44Å; M241-F340 HydrophobicContact CE-CB 3.67Å; M241-F340 HydrophobicContact CE-CD1 3.83Å; M241-F340 HydrophobicContact CE-CD2 3.84Å; M241-F340 HydrophobicContact CE-CE1 4.38Å; M241-F340 HydrophobicContact CE-CE2 4.42Å; M241-F340 HydrophobicContact CE-CG 3.51Å; M241-F340 HydrophobicContact SD-CD1 4.46Å; M241-F340 HydrophobicContact SD-CD2 4.32Å; M241-F340 HydrophobicContact SD-CE1 4.43Å; M241-F340 HydrophobicContact SD-CE2 4.34Å; M241-F340 HydrophobicContact SD-CG 4.39Å; M241-F340 HydrophobicContact SD-CZ 4.38Å; M241-F382 HydrophobicContact CB-CD2 3.78Å; M241-F382 HydrophobicContact CB-CE2 4.48Å; M241-F382 HydrophobicContact CG-CD2 4.21Å; M241-F382 HydrophobicContact SD-CD2 3.5Å; M241-F382 VanDerWaalsContact SD-CD2 3.5Å; M241-F382 HydrophobicContact SD-CE2 3.54Å; M241-F382 VanDerWaalsContact SD-CE2 3.54Å; M241-F383 HydrophobicContact CE-CD2 3.9Å; M241-F383 HydrophobicContact CE-CE2 4.38Å; M241-F383 HydrophobicContact SD-CD2 4.25Å; M241-F386 HydrophobicContact CE-CB 4.44Å; M241-F386 HydrophobicContact CE-CD1 3.77Å; M241-F386 HydrophobicContact CE-CD2 4.4Å; M241-F386 HydrophobicContact CE-CE1 4.11Å; M241-F386 HydrophobicContact CE-CG 3.93Å; M241-F386 HydrophobicContact CG-CB 3.99Å; M241-F386 HydrophobicContact CG-CD2 4.16Å; M241-F386 HydrophobicContact CG-CG 4.07Å; M241-F386 HydrophobicContact SD-CB 4.41Å; M241-F386 HydrophobicContact SD-CG 4.49Å
242Y92.9Very high94.8Very high69 Ų6918.2 Ų18.227%0.2719%0.094SC..  trans-133.4148-176.3-58.8-87.4000110.8G2 P240 Q244 F382G2-Y242 WeakPolarHBondContact O-CD2 3.39Å; P240-Y242 VanDerWaalsContact O-CE2 3.22Å; P240-Y242 WeakPolarHBondContact O-CE2 3.36Å; Y242-Q244 WeakPolarHBondContact O-CG 3.27Å; Y242-Q244 PolarHBondContact O-N 2.89Å; Y242-Q244 PolarHBondContact O-NE2 2.69Å; Y242-F382 VanDerWaalsContact O-CB 3.23Å; Y242-F382 WeakPolarHBondContact O-CB 3.46Å
243W95.4Very high94.6Very high1 Ų119.1 Ų19.10%0.00410%0.101CC..  trans-69.8110.5-180-173.5-93.5000112.2R4 M211 E214 R215 L238 H245 I246 P264 L266R4-W243 WeakPolarHBondContact CD-O 3.36Å; R4-W243 PolarHBondContact NH1-O 3.17Å; M211-W243 HydrophobicContact CB-CZ3 4.25Å; M211-W243 HydrophobicContact CE-CE3 4.21Å; M211-W243 HydrophobicContact CG-CZ3 4.41Å; E214-W243 HydrophobicContact CB-CH2 4.37Å; E214-W243 HydrophobicContact CG-CZ3 4.26Å; R215-W243 WeakPolarHBondContact O-CH2 3.17Å; L238-W243 HydrophobicContact CD1-CE3 4.28Å; W243-H245 HydrophobicContact CZ2-CB 4.47Å; W243-I246 PolarHBondContact NE1-O 2.86Å; W243-P264 HydrophobicContact CH2-CB 4.12Å; W243-P264 HydrophobicContact CZ2-CB 3.9Å; W243-L266 HydrophobicContact CD2-CB 4.44Å; W243-L266 HydrophobicContact CZ2-CB 4.32Å
244Q94Very high94.3Very high36 Ų3622.5 Ų22.517%0.16812%0.116CC..  trans-82.3-29.3-172-58.3-56.6-40.800113.8G2 R4 Y242 Q381 F382 Q385G2-Q244 PolarHBondContact O-NE2 3.43Å; R4-Q244 PolarHBondContact NH1-O 3.49Å; Y242-Q244 WeakPolarHBondContact O-CG 3.27Å; Y242-Q244 PolarHBondContact O-N 2.89Å; Y242-Q244 PolarHBondContact O-NE2 2.69Å; Q244-Q381 HydrophobicContact CB-CB 4.37Å; Q244-Q381 HydrophobicContact CB-CG 3.76Å; Q244-Q381 HydrophobicContact CG-CG 4.11Å; Q244-F382 HydrophobicContact CG-CB 4.17Å; Q244-Q385 HydrophobicContact CG-CB 4.24Å; Q244-Q385 HydrophobicContact CG-CG 4.07Å
245H93.8Very high94.2Very high49 Ų4924.4 Ų24.423%0.22713%0.126CC..SBendtrans-83.2-160.7-173.2-54.4-77.4000112.8R4 E214 W243 F247 P264 Q381R4-H245 PolarHBondContact NH1-O 3.23Å; E214-H245 IonicContact OE1-CD2 2.68Å; E214-H245 IonicContact OE1-NE2 3.04Å; E214-H245 PolarHBondContact OE1-NE2 2.81Å; E214-H245 IonicContact OE2-CD2 2.68Å; E214-H245 IonicContact OE2-CE1 3.06Å; E214-H245 IonicContact OE2-NE2 2.69Å; E214-H245 PolarHBondContact OE2-NE2 2.74Å; W243-H245 HydrophobicContact CZ2-CB 4.47Å; H245-F247 PolarHBondContact O-N 2.72Å; H245-P264 HydrophobicContact CB-CB 4.04Å; H245-P264 WeakPolarHBondContact CB-O 3.48Å; H245-Q381 WeakPolarHBondContact NE2-CB 3.34Å
246I96.1Very high94.1Very high50 Ų5023.9 Ų23.926%0.25612%0.122SC..EExtended strand (participates in β ladder)trans-60.9129.3-179.2-69.8-172.4000110.1W243 I248 Y258 M263 Y265 L266 I267W243-I246 PolarHBondContact NE1-O 2.86Å; I246-I248 HydrophobicContact CG2-CD1 3.73Å; I246-I248 HydrophobicContact CG2-CG1 3.8Å; I246-Y258 HydrophobicContact CD1-CD1 4.37Å; I246-M263 HydrophobicContact CB-CE 3.7Å; I246-M263 HydrophobicContact CD1-CE 3.46Å; I246-M263 VanDerWaalsContact CD1-CE 3.46Å; I246-M263 HydrophobicContact CD1-SD 3.91Å; I246-M263 HydrophobicContact CG1-CE 3.48Å; I246-M263 VanDerWaalsContact CG1-CE 3.48Å; I246-M263 HydrophobicContact CG1-SD 4.47Å; I246-Y265 WeakPolarHBondContact O-CA 3.49Å; I246-L266 PolarHBondContact O-N 3.42Å; I246-I267 HydrophobicContact CG2-CD1 4.29Å; I246-I267 HydrophobicContact CG2-CG1 4.38Å
247F96.9Very high94.2Very high3 Ų326.4 Ų26.41%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-135.1110-178.2178.4-104.5000108.7V72 Q80 V231 H232 H245 P249 L266V72-F247 HydrophobicContact CB-CD1 4.41Å; V72-F247 HydrophobicContact CB-CE1 4.32Å; V72-F247 HydrophobicContact CG1-CD1 4.19Å; V72-F247 HydrophobicContact CG1-CE1 4.41Å; V72-F247 HydrophobicContact CG2-CE1 4.2Å; Q80-F247 VanDerWaalsContact NE2-CD1 3.29Å; V231-F247 HydrophobicContact CG1-CD2 4.14Å; V231-F247 HydrophobicContact CG1-CE2 3.45Å; V231-F247 VanDerWaalsContact CG1-CE2 3.45Å; V231-F247 HydrophobicContact CG1-CZ 3.92Å; H232-F247 AromaticContact ND1-CZ 3.82Å; H245-F247 PolarHBondContact O-N 2.72Å; F247-P249 HydrophobicContact CD1-CG 4.18Å; F247-P249 HydrophobicContact CE1-CG 3.54Å; F247-P249 HydrophobicContact CZ-CG 3.77Å; F247-L266 WeakPolarHBondContact CA-O 3.47Å; F247-L266 HydrophobicContact CD2-CB 4.38Å; F247-L266 HydrophobicContact CD2-CD2 4.09Å; F247-L266 HydrophobicContact CD2-CG 4.41Å; F247-L266 HydrophobicContact CE2-CD2 4.03Å
248I97.6Very high94.2Very high25 Ų2531.9 Ų31.913%0.12815%0.15CC..EExtended strand (participates in β ladder)trans-13693.1-177.1-52.5176.3000108.5I246 V250 L251 L266 I267 G268I246-I248 HydrophobicContact CG2-CD1 3.73Å; I246-I248 HydrophobicContact CG2-CG1 3.8Å; I248-V250 WeakPolarHBondContact CG2-O 3.31Å; I248-V250 PolarHBondContact O-N 3.09Å; I248-V250 VanDerWaalsContact O-N 3.13Å; I248-L251 HydrophobicContact CD1-CD1 3.74Å; I248-L251 HydrophobicContact CG2-CB 4.1Å; I248-L251 HydrophobicContact CG2-CD1 3.92Å; I248-L266 PolarHBondContact N-O 3.48Å; I248-I267 HydrophobicContact CB-CG1 4.31Å; I248-I267 WeakPolarHBondContact O-CA 3.41Å; I248-G268 PolarHBondContact O-N 2.95Å
249P97.4Very high94.3Very high0 Ų031.9 Ų31.90%015%0.15CC..SBendtrans-56.5-28.8-177-28.535.7000115V72 T228 V231 F247V72-P249 HydrophobicContact CB-CG 3.99Å; V72-P249 HydrophobicContact CG2-CG 4.01Å; T228-P249 HydrophobicContact CG2-CB 4.06Å; V231-P249 HydrophobicContact CB-CB 4.28Å; V231-P249 HydrophobicContact CG1-CB 4.11Å; V231-P249 HydrophobicContact CG1-CG 4.17Å; F247-P249 HydrophobicContact CD1-CG 4.18Å; F247-P249 HydrophobicContact CE1-CG 3.54Å; F247-P249 HydrophobicContact CZ-CG 3.77Å
250V97.1Very high94.2Very high1 Ų132.8 Ų32.81%0.00616%0.163CC..SBendtrans-151.3125.6167.462.90000110.5P54 F69 F71 L224 L227 T228 I248 G268P54-V250 HydrophobicContact CB-CG1 4.41Å; P54-V250 HydrophobicContact CB-CG2 3.72Å; P54-V250 HydrophobicContact CG-CB 4.42Å; P54-V250 HydrophobicContact CG-CG1 4.02Å; P54-V250 HydrophobicContact CG-CG2 3.52Å; F69-V250 HydrophobicContact CD2-CG1 4.14Å; F69-V250 HydrophobicContact CE2-CG1 4.2Å; F71-V250 HydrophobicContact CB-CG1 3.82Å; L224-V250 HydrophobicContact CD2-CG2 4.25Å; L227-V250 HydrophobicContact CD2-CB 4.26Å; L227-V250 HydrophobicContact CD2-CG2 3.75Å; T228-V250 HydrophobicContact CG2-CB 3.79Å; T228-V250 HydrophobicContact CG2-CG1 3.75Å; I248-V250 WeakPolarHBondContact CG2-O 3.31Å; I248-V250 PolarHBondContact O-N 3.09Å; I248-V250 VanDerWaalsContact O-N 3.13Å; V250-G268 CarbonylContact C-O 3.55Å; V250-G268 WeakPolarHBondContact CA-O 3.35Å
251L96.1Very high94.3Very high0 Ų033 Ų330%017%0.165CC..  trans-99.4118.1-175.2-173.372.3000110.9I248 L255 L256 C259 I267 G268 V269I248-L251 HydrophobicContact CD1-CD1 3.74Å; I248-L251 HydrophobicContact CG2-CB 4.1Å; I248-L251 HydrophobicContact CG2-CD1 3.92Å; L251-L255 HydrophobicContact CD1-CB 3.54Å; L251-L255 HydrophobicContact CD1-CD1 4.45Å; L251-L255 HydrophobicContact CG-CB 4.14Å; L251-L256 HydrophobicContact CD2-CD2 3.97Å; L251-L256 HydrophobicContact CG-CD2 4.32Å; L251-C259 WeakPolarHBondContact CD2-SG 3.17Å; L251-I267 HydrophobicContact CB-CG2 3.89Å; L251-I267 HydrophobicContact CD2-CG2 3.89Å; L251-I267 HydrophobicContact CG-CG2 4.43Å; L251-G268 WeakPolarHBondContact CB-O 3.38Å; L251-G268 PolarHBondContact N-O 2.89Å; L251-V269 HydrophobicContact CB-CG2 4.17Å; L251-V269 HydrophobicContact CD2-CG2 4.26Å
252P93.4Very high94.3Very high0 Ų038.3 Ų38.30%020%0.2CC..  trans-73.8160.7-177.429.5-35.9000113.4F51 P54 H254 L255F51-P252 HydrophobicContact CD1-CG 4Å; F51-P252 HydrophobicContact CD2-CG 4.37Å; F51-P252 HydrophobicContact CE1-CG 3.85Å; F51-P252 HydrophobicContact CE2-CG 4.23Å; F51-P252 HydrophobicContact CG-CG 4.27Å; F51-P252 HydrophobicContact CZ-CG 3.98Å; P54-P252 HydrophobicContact CB-CB 4.03Å; P252-H254 WeakPolarHBondContact CG-CE1 3.33Å; P252-H254 PolarHBondContact O-N 2.98Å; P252-L255 HydrophobicContact CG-CB 4.42Å; P252-L255 HydrophobicContact CG-CD1 3.87Å; P252-L255 HydrophobicContact CG-CG 4.08Å; P252-L255 PolarHBondContact O-N 3.04Å
253P91.5Very high94.3Very high34 Ų3437.9 Ų37.922%0.22120%0.201CC..THydrogen-bonded Turntrans-58.7-14.9-170.4-24.630.6000117.4Y55 L273 R276Y55-P253 WeakPolarHBondContact O-CG 3.28Å; P253-L273 HydrophobicContact CB-CD1 4.33Å; P253-L273 HydrophobicContact CB-CD2 4.03Å; P253-L273 HydrophobicContact CG-CD1 3.92Å; P253-L273 HydrophobicContact CG-CD2 4.03Å; P253-R276 PolarHBondContact O-NH1 2.85Å; P253-R276 VanDerWaalsContact O-NH1 3.16Å; P253-R276 PolarHBondContact O-NH2 2.84Å
254H89.5Confident94.3Very high73 Ų7339.1 Ų39.134%0.33821%0.21SC..THydrogen-bonded Turntrans-97.6-7.6-179.169.1-84.2000113.5R50 P252R50-H254 VanDerWaalsContact CB-CE1 3.46Å; R50-H254 WeakPolarHBondContact CB-CE1 3.1Å; R50-H254 VanDerWaalsContact CD-CE1 3.41Å; R50-H254 WeakPolarHBondContact CD-CE1 3.17Å; P252-H254 WeakPolarHBondContact CG-CE1 3.33Å; P252-H254 PolarHBondContact O-N 2.98Å
255L93.3Very high94.5Very high42 Ų4237.4 Ų37.422%0.2220%0.202CC..  trans-111.710.3177.2-59.2-178.5000112.8F51 L251 P252 D257 Y258F51-L255 HydrophobicContact CE1-CD1 4.29Å; F51-L255 HydrophobicContact CE2-CD1 4.34Å; F51-L255 HydrophobicContact CZ-CD1 3.61Å; L251-L255 HydrophobicContact CD1-CB 3.54Å; L251-L255 HydrophobicContact CD1-CD1 4.45Å; L251-L255 HydrophobicContact CG-CB 4.14Å; P252-L255 HydrophobicContact CG-CB 4.42Å; P252-L255 HydrophobicContact CG-CD1 3.87Å; P252-L255 HydrophobicContact CG-CG 4.08Å; P252-L255 PolarHBondContact O-N 3.04Å; L255-D257 PolarHBondContact O-N 3.26Å; L255-Y258 HydrophobicContact CB-CD2 4.06Å; L255-Y258 HydrophobicContact CD2-CD2 4.36Å; L255-Y258 HydrophobicContact CD2-CE2 3.99Å; L255-Y258 WeakPolarHBondContact O-CB 3.48Å; L255-Y258 WeakPolarHBondContact O-CD2 3.43Å; L255-Y258 PolarHBondContact O-N 3.31Å
256L93.5Very high94.7Very high1 Ų135.1 Ų35.11%0.00519%0.191CC..G310 helixtrans-59.9-14-178.8-63.6-174.9000114.6L251 Y258 C259 V269 L273 R276 V277L251-L256 HydrophobicContact CD2-CD2 3.97Å; L251-L256 HydrophobicContact CG-CD2 4.32Å; L256-Y258 PolarHBondContact O-N 3.43Å; L256-C259 PolarHBondContact O-N 3.14Å; L256-V269 HydrophobicContact CD2-CG1 4.23Å; L256-L273 HydrophobicContact CD1-CB 4.2Å; L256-L273 HydrophobicContact CD1-CD1 4.5Å; L256-L273 HydrophobicContact CD1-CD2 4.33Å; L256-L273 HydrophobicContact CD2-CD1 4.21Å; L256-R276 HydrophobicContact CD1-CB 4.08Å; L256-V277 HydrophobicContact CB-CG2 4.44Å; L256-V277 HydrophobicContact CD1-CG2 4.12Å; L256-V277 HydrophobicContact CD2-CG2 3.83Å; L256-V277 HydrophobicContact CG-CG2 4.35Å
257D93Very high94.8Very high100 Ų10032.7 Ų32.754%0.53518%0.179SC..G310 helixtrans-64.7-29.5172.5-60.4-11.8000111.6L255 C259 C260 R280L255-D257 PolarHBondContact O-N 3.26Å; D257-C259 PolarHBondContact O-N 3.47Å; D257-C260 WeakPolarHBondContact O-CB 3.24Å; D257-C260 PolarHBondContact O-N 3.09Å; D257-C260 PolarHBondContact O-SG 3.4Å; D257-R280 IonicContact OD1-CZ 3.66Å; D257-R280 IonicContact OD1-NH1 3.02Å; D257-R280 PolarHBondContact OD1-NH1 2.91Å; D257-R280 IonicContact OD1-NH2 3.75Å; D257-R280 PolarHBondContact OD1-NH2 3Å
258Y94.3Very high94.8Very high123 Ų12332.6 Ų32.648%0.48218%0.178SC..G310 helixtrans-64.3-18.1177.5-78-99.6000113.9I246 L255 L256 C260 A261I246-Y258 HydrophobicContact CD1-CD1 4.37Å; L255-Y258 HydrophobicContact CB-CD2 4.06Å; L255-Y258 HydrophobicContact CD2-CD2 4.36Å; L255-Y258 HydrophobicContact CD2-CE2 3.99Å; L255-Y258 WeakPolarHBondContact O-CB 3.48Å; L255-Y258 WeakPolarHBondContact O-CD2 3.43Å; L255-Y258 PolarHBondContact O-N 3.31Å; L256-Y258 PolarHBondContact O-N 3.43Å; Y258-C260 PolarHBondContact O-N 2.85Å; Y258-A261 VanDerWaalsContact O-CB 3.31Å; Y258-A261 WeakPolarHBondContact O-CB 3.27Å; Y258-A261 PolarHBondContact O-N 3.26Å
259C94.6Very high94.8Very high0 Ų031.4 Ų31.40%017%0.172CC..G310 helixtrans-64.9-19169.9-63.80000112.7L251 L256 D257 A261 Y265 V277 L282L251-C259 WeakPolarHBondContact CD2-SG 3.17Å; L256-C259 PolarHBondContact O-N 3.14Å; D257-C259 PolarHBondContact O-N 3.47Å; C259-A261 VanDerWaalsContact C-N 3.29Å; C259-Y265 PolarHBondContact O-OH 3.27Å; C259-Y265 VanDerWaalsContact O-OH 3.12Å; C259-V277 HydrophobicContact CB-CG1 3.97Å; C259-L282 HydrophobicContact CB-CD2 4.2Å; C259-L282 VanDerWaalsContact O-CD2 3.24Å; C259-L282 WeakPolarHBondContact O-CD2 3.46Å
260C93Very high94.7Very high66 Ų6631.7 Ų31.745%0.44617%0.173SC..G310 helixtrans-884.5179.8-39.80000112.5D257 Y258D257-C260 WeakPolarHBondContact O-CB 3.24Å; D257-C260 PolarHBondContact O-N 3.09Å; D257-C260 PolarHBondContact O-SG 3.4Å; Y258-C260 PolarHBondContact O-N 2.85Å
261A93.4Very high94.6Very high17 Ų1733.2 Ų33.214%0.1418%0.183CC..  trans-74.8139.3-173.400000111.5R216 Y258 C259 M263R216-A261 VanDerWaalsContact CD-O 3.31Å; R216-A261 WeakPolarHBondContact CD-O 3.29Å; Y258-A261 VanDerWaalsContact O-CB 3.31Å; Y258-A261 WeakPolarHBondContact O-CB 3.27Å; Y258-A261 PolarHBondContact O-N 3.26Å; C259-A261 VanDerWaalsContact C-N 3.29Å; A261-M263 HydrophobicContact CB-CE 4.35Å; A261-M263 HydrophobicContact CB-SD 3.39Å; A261-M263 WeakPolarHBondContact CB-SD 3.4Å
262P92.6Very high94.4Very high114 Ų11434.2 Ų34.274%0.7419%0.19SC*.SBendtrans-84.7-19.3-166.732.4-37.1000114.7
263M93.9Very high94.4Very high60 Ų6034.3 Ų34.330%0.29619%0.19SC..SBendtrans-74.3168.9175.620.950.650.400111.9R216 I246 A261 Y265R216-M263 WeakPolarHBondContact CD-O 3.49Å; R216-M263 WeakPolarHBondContact CG-O 3.49Å; I246-M263 HydrophobicContact CB-CE 3.7Å; I246-M263 HydrophobicContact CD1-CE 3.46Å; I246-M263 VanDerWaalsContact CD1-CE 3.46Å; I246-M263 HydrophobicContact CD1-SD 3.91Å; I246-M263 HydrophobicContact CG1-CE 3.48Å; I246-M263 VanDerWaalsContact CG1-CE 3.48Å; I246-M263 HydrophobicContact CG1-SD 4.47Å; A261-M263 HydrophobicContact CB-CE 4.35Å; A261-M263 HydrophobicContact CB-SD 3.39Å; A261-M263 WeakPolarHBondContact CB-SD 3.4Å; M263-Y265 HydrophobicContact CE-CD1 4.47Å
264P96.1Very high94.4Very high28 Ų2833.8 Ų33.818%0.18219%0.187CC..  trans-58.6136.7171.7-25.837.1000112.9E214 W243 H245E214-P264 HydrophobicContact CB-CB 3.99Å; E214-P264 HydrophobicContact CB-CG 3.88Å; E214-P264 WeakPolarHBondContact O-CB 3.5Å; E214-P264 WeakPolarHBondContact O-CG 3.23Å; W243-P264 HydrophobicContact CH2-CB 4.12Å; W243-P264 HydrophobicContact CZ2-CB 3.9Å; H245-P264 HydrophobicContact CB-CB 4.04Å; H245-P264 WeakPolarHBondContact CB-O 3.48Å
265Y97.2Very high94.5Very high0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-142.9154.3174.462.7-115.5000112.3R215 R216 I217 L218 I246 C259 M263 I267 V285R215-Y265 PolarHBondContact O-N 2.91Å; R216-Y265 HydrophobicContact CB-CD1 4.11Å; R216-Y265 HydrophobicContact CB-CD2 4.48Å; R216-Y265 HydrophobicContact CB-CE1 3.74Å; R216-Y265 HydrophobicContact CB-CE2 4.13Å; R216-Y265 HydrophobicContact CB-CG 4.47Å; R216-Y265 HydrophobicContact CG-CD1 3.79Å; R216-Y265 HydrophobicContact CG-CE1 3.69Å; R216-Y265 HydrophobicContact CG-CG 4.42Å; I217-Y265 PolarHBondContact N-O 2.82Å; I217-Y265 WeakPolarHBondContact O-CD2 3.5Å; I217-Y265 WeakPolarHBondContact O-CE2 3.19Å; L218-Y265 HydrophobicContact CB-CE2 4.4Å; I246-Y265 WeakPolarHBondContact O-CA 3.49Å; C259-Y265 PolarHBondContact O-OH 3.27Å; C259-Y265 VanDerWaalsContact O-OH 3.12Å; M263-Y265 HydrophobicContact CE-CD1 4.47Å; Y265-I267 HydrophobicContact CD1-CD1 4.23Å; Y265-I267 HydrophobicContact CD2-CB 4.02Å; Y265-I267 HydrophobicContact CD2-CD1 3.58Å; Y265-I267 HydrophobicContact CD2-CG1 3.59Å; Y265-I267 HydrophobicContact CE2-CB 4.4Å; Y265-I267 HydrophobicContact CE2-CD1 4.09Å; Y265-I267 HydrophobicContact CE2-CG1 4.33Å; Y265-I267 HydrophobicContact CG-CD1 3.67Å; Y265-I267 HydrophobicContact CG-CG1 3.98Å; Y265-V285 HydrophobicContact CE2-CG1 4.41Å; Y265-V285 VanDerWaalsContact OH-CG1 3.32Å; Y265-V285 WeakPolarHBondContact OH-CG1 3.19Å; Y265-V285 VanDerWaalsContact OH-CG2 3.24Å; Y265-V285 WeakPolarHBondContact OH-CG2 3.28Å
266L98Very high94.4Very high0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-123.5106.2166.2178.459.8000108.1M211 I217 I219 V231 L234 W243 I246 F247 I248M211-L266 HydrophobicContact CE-CD2 3.76Å; M211-L266 HydrophobicContact SD-CD2 4.49Å; I217-L266 HydrophobicContact CB-CD1 3.92Å; I217-L266 HydrophobicContact CG2-CD1 3.67Å; I219-L266 HydrophobicContact CD1-CD1 4.2Å; V231-L266 HydrophobicContact CG1-CD2 4.04Å; V231-L266 HydrophobicContact CG1-CG 3.9Å; L234-L266 HydrophobicContact CB-CD2 4.45Å; W243-L266 HydrophobicContact CD2-CB 4.44Å; W243-L266 HydrophobicContact CZ2-CB 4.32Å; I246-L266 PolarHBondContact O-N 3.42Å; F247-L266 WeakPolarHBondContact CA-O 3.47Å; F247-L266 HydrophobicContact CD2-CB 4.38Å; F247-L266 HydrophobicContact CD2-CD2 4.09Å; F247-L266 HydrophobicContact CD2-CG 4.41Å; F247-L266 HydrophobicContact CE2-CD2 4.03Å; I248-L266 PolarHBondContact N-O 3.48Å
267I98.1Very high94.3Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-128129.6-170.5-63.5179.4000110.4I217 L218 I219 I246 I248 L251 Y265 V269I217-I267 PolarHBondContact O-N 3.09Å; L218-I267 CarbonylContact C-O 3.54Å; L218-I267 WeakPolarHBondContact CA-O 3.5Å; L218-I267 HydrophobicContact CD1-CB 4Å; L218-I267 HydrophobicContact CD1-CG2 3.87Å; I219-I267 PolarHBondContact N-O 3.24Å; I246-I267 HydrophobicContact CG2-CD1 4.29Å; I246-I267 HydrophobicContact CG2-CG1 4.38Å; I248-I267 HydrophobicContact CB-CG1 4.31Å; I248-I267 WeakPolarHBondContact O-CA 3.41Å; L251-I267 HydrophobicContact CB-CG2 3.89Å; L251-I267 HydrophobicContact CD2-CG2 3.89Å; L251-I267 HydrophobicContact CG-CG2 4.43Å; Y265-I267 HydrophobicContact CD1-CD1 4.23Å; Y265-I267 HydrophobicContact CD2-CB 4.02Å; Y265-I267 HydrophobicContact CD2-CD1 3.58Å; Y265-I267 HydrophobicContact CD2-CG1 3.59Å; Y265-I267 HydrophobicContact CE2-CB 4.4Å; Y265-I267 HydrophobicContact CE2-CD1 4.09Å; Y265-I267 HydrophobicContact CE2-CG1 4.33Å; Y265-I267 HydrophobicContact CG-CD1 3.67Å; Y265-I267 HydrophobicContact CG-CG1 3.98Å; I267-V269 HydrophobicContact CG2-CG2 3.99Å
268G98.1Very high94.1Very high0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-94138.3165.200000111.8I219 I248 V250 L251I219-G268 CarbonylContact O-C 3.53Å; I219-G268 WeakPolarHBondContact O-CA 3.16Å; I248-G268 PolarHBondContact O-N 2.95Å; V250-G268 CarbonylContact C-O 3.55Å; V250-G268 WeakPolarHBondContact CA-O 3.35Å; L251-G268 WeakPolarHBondContact CB-O 3.38Å; L251-G268 PolarHBondContact N-O 2.89Å
269V97.2Very high93.9Very high0 Ų037.2 Ų37.20%021%0.205CC..EExtended strand (participates in β ladder)trans-132.6136.4173.8179.10000109.5L218 I219 F220 L227 L251 L256 I267 L273 V277L218-V269 HydrophobicContact CD1-CG2 3.72Å; I219-V269 PolarHBondContact O-N 3.45Å; F220-V269 WeakPolarHBondContact CA-O 3.47Å; F220-V269 HydrophobicContact CD1-CB 3.82Å; F220-V269 HydrophobicContact CD1-CG1 4.08Å; F220-V269 HydrophobicContact CE1-CB 3.65Å; F220-V269 HydrophobicContact CE1-CG1 3.71Å; F220-V269 HydrophobicContact CE1-CG2 4.45Å; L227-V269 VanDerWaalsContact CD2-C 3.47Å; L251-V269 HydrophobicContact CB-CG2 4.17Å; L251-V269 HydrophobicContact CD2-CG2 4.26Å; L256-V269 HydrophobicContact CD2-CG1 4.23Å; I267-V269 HydrophobicContact CG2-CG2 3.99Å; V269-L273 HydrophobicContact CG1-CB 3.72Å; V269-L273 HydrophobicContact CG1-CD1 4.26Å; V269-V277 HydrophobicContact CG1-CG2 4.2Å
270H95.6Very high93.5Very high6 Ų641.1 Ų41.13%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-67.9137.2175.8-178.7-101.1000111.7Y55 Q60 S221 S222 L224 S272 L273Y55-H270 WeakPolarHBondContact CB-ND1 3.28Å; Q60-H270 VanDerWaalsContact CD-CE1 3.47Å; Q60-H270 PolarHBondContact NE2-CE1 3.04Å; Q60-H270 PolarHBondContact NE2-NE2 3.2Å; Q60-H270 PolarHBondContact OE1-CE1 3.3Å; Q60-H270 PolarHBondContact OE1-NE2 2.9Å; S221-H270 WeakPolarHBondContact O-CA 3.22Å; S221-H270 PolarHBondContact O-CD2 2.58Å; S222-H270 PolarHBondContact O-NE2 3.27Å; S222-H270 VanDerWaalsContact O-NE2 3.14Å; L224-H270 HydrophobicContact CD2-CB 4.14Å; H270-S272 PolarHBondContact CE1-OG 2.95Å; H270-S272 PolarHBondContact ND1-N 2.92Å; H270-S272 PolarHBondContact ND1-OG 3.46Å; H270-S272 PolarHBondContact O-N 3.38Å; H270-L273 WeakPolarHBondContact O-CB 3.22Å; H270-L273 PolarHBondContact O-N 3.35Å
271T94.3Very high92.9Very high34 Ų3440.8 Ų40.821%0.20923%0.228CC..G310 helixtrans-55.7-28.4-171.9-62.70000114S221 S222 L273 S274 D291S221-T271 WeakPolarHBondContact CA-OG1 3.14Å; S221-T271 PolarHBondContact N-OG1 3.45Å; S221-T271 PolarHBondContact O-N 3.5Å; S221-T271 PolarHBondContact O-OG1 3.49Å; S222-T271 PolarHBondContact N-OG1 3.29Å; T271-L273 PolarHBondContact O-N 3.4Å; T271-L273 VanDerWaalsContact O-N 3.11Å; T271-S274 VanDerWaalsContact O-CB 3.28Å; T271-S274 WeakPolarHBondContact O-CB 3.34Å; T271-S274 PolarHBondContact O-N 2.76Å; T271-S274 PolarHBondContact O-OG 2.87Å; T271-D291 WeakPolarHBondContact CB-OD2 3.27Å; T271-D291 PolarHBondContact OG1-OD2 3.13Å
272S92.4Very high92.6Very high21 Ų2141.7 Ų41.715%0.14723%0.23CC..G310 helixtrans-65.6-11.3175.271.20000115.2D56 H270D56-S272 PolarHBondContact N-OG 3.1Å; D56-S272 VanDerWaalsContact N-OG 3.15Å; H270-S272 PolarHBondContact CE1-OG 2.95Å; H270-S272 PolarHBondContact ND1-N 2.92Å; H270-S272 PolarHBondContact ND1-OG 3.46Å; H270-S272 PolarHBondContact O-N 3.38Å
273L92.9Very high92.1Very high1 Ų143.4 Ų43.41%0.00523%0.228CC..G310 helixtrans-102.3-5174.7-57.9172.4000113.1D56 P253 L256 V269 H270 T271 E275 R276 V277D56-L273 HydrophobicContact CB-CD2 3.89Å; P253-L273 HydrophobicContact CB-CD1 4.33Å; P253-L273 HydrophobicContact CB-CD2 4.03Å; P253-L273 HydrophobicContact CG-CD1 3.92Å; P253-L273 HydrophobicContact CG-CD2 4.03Å; L256-L273 HydrophobicContact CD1-CB 4.2Å; L256-L273 HydrophobicContact CD1-CD1 4.5Å; L256-L273 HydrophobicContact CD1-CD2 4.33Å; L256-L273 HydrophobicContact CD2-CD1 4.21Å; V269-L273 HydrophobicContact CG1-CB 3.72Å; V269-L273 HydrophobicContact CG1-CD1 4.26Å; H270-L273 WeakPolarHBondContact O-CB 3.22Å; H270-L273 PolarHBondContact O-N 3.35Å; T271-L273 PolarHBondContact O-N 3.4Å; T271-L273 VanDerWaalsContact O-N 3.11Å; L273-E275 PolarHBondContact O-N 2.99Å; L273-R276 WeakPolarHBondContact O-CB 3.26Å; L273-R276 PolarHBondContact O-N 3.46Å; L273-V277 PolarHBondContact O-N 3.17Å
274S91.6Very high91.9Very high23 Ų2346 Ų4616%0.16124%0.24CC..Hα-helixtrans-58.3-43.6-171.359.70000114.1F220 T271 R276 V277 R278F220-S274 VanDerWaalsContact CE1-CA 3.49Å; T271-S274 VanDerWaalsContact O-CB 3.28Å; T271-S274 WeakPolarHBondContact O-CB 3.34Å; T271-S274 PolarHBondContact O-N 2.76Å; T271-S274 PolarHBondContact O-OG 2.87Å; S274-R276 VanDerWaalsContact C-N 3.34Å; S274-R276 PolarHBondContact O-N 3.08Å; S274-V277 PolarHBondContact O-N 3.28Å; S274-V277 VanDerWaalsContact O-N 3.1Å; S274-R278 PolarHBondContact O-N 3.27Å
275E91.3Very high91.9Very high111 Ų11145.1 Ų45.152%0.51923%0.234SC..Hα-helixtrans-54.2-46.7172.8-71.8165.8-13800112.3R59 L273 V277 R278 S279R59-E275 IonicContact CZ-OE1 2.65Å; R59-E275 IonicContact CZ-OE2 2.89Å; R59-E275 IonicContact NH1-OE1 2.76Å; R59-E275 PolarHBondContact NH1-OE1 2.94Å; R59-E275 IonicContact NH1-OE2 3.79Å; R59-E275 PolarHBondContact NH1-OE2 3.13Å; R59-E275 VanDerWaalsContact NH1-OE2 3.08Å; R59-E275 IonicContact NH2-OE1 3.17Å; R59-E275 IonicContact NH2-OE2 2.9Å; R59-E275 PolarHBondContact NH2-OE2 2.82Å; L273-E275 PolarHBondContact O-N 2.99Å; E275-V277 PolarHBondContact O-N 3.15Å; E275-R278 PolarHBondContact O-N 3.38Å; E275-S279 WeakPolarHBondContact O-CB 3.28Å; E275-S279 PolarHBondContact O-N 3.12Å; E275-S279 PolarHBondContact O-OG 3.46Å
276R91.2Very high91.9Very high105 Ų10545.1 Ų45.140%0.39623%0.234SC..Hα-helixtrans-68.4-15.3-180-69.6-175.463.7-144.2-6.3113.6P253 L256 L273 S274 S279 R280P253-R276 PolarHBondContact O-NH1 2.85Å; P253-R276 VanDerWaalsContact O-NH1 3.16Å; P253-R276 PolarHBondContact O-NH2 2.84Å; L256-R276 HydrophobicContact CD1-CB 4.08Å; L273-R276 WeakPolarHBondContact O-CB 3.26Å; L273-R276 PolarHBondContact O-N 3.46Å; S274-R276 VanDerWaalsContact C-N 3.34Å; S274-R276 PolarHBondContact O-N 3.08Å; R276-S279 PolarHBondContact O-OG 3.19Å; R276-R280 WeakPolarHBondContact O-CD 3.22Å; R276-R280 WeakPolarHBondContact O-CG 3.32Å; R276-R280 PolarHBondContact O-NE 3.38Å; R276-R280 VanDerWaalsContact O-NE 3.07Å
277V92Very high91.9Very high0 Ų045.6 Ų45.60%024%0.236CC..Hα-helixtrans-94.8-45.2176175.60000110.2L218 F220 L256 C259 V269 L273 S274 E275 S279 R280 L282L218-V277 HydrophobicContact CD2-CG1 3.71Å; F220-V277 HydrophobicContact CZ-CB 4.23Å; F220-V277 HydrophobicContact CZ-CG1 4.21Å; L256-V277 HydrophobicContact CB-CG2 4.44Å; L256-V277 HydrophobicContact CD1-CG2 4.12Å; L256-V277 HydrophobicContact CD2-CG2 3.83Å; L256-V277 HydrophobicContact CG-CG2 4.35Å; C259-V277 HydrophobicContact CB-CG1 3.97Å; V269-V277 HydrophobicContact CG1-CG2 4.2Å; L273-V277 PolarHBondContact O-N 3.17Å; S274-V277 PolarHBondContact O-N 3.28Å; S274-V277 VanDerWaalsContact O-N 3.1Å; E275-V277 PolarHBondContact O-N 3.15Å; V277-S279 VanDerWaalsContact C-N 3.26Å; V277-S279 PolarHBondContact O-N 2.95Å; V277-R280 WeakPolarHBondContact O-CB 3.2Å; V277-R280 PolarHBondContact O-N 3.25Å; V277-L282 HydrophobicContact CG1-CD1 3.58Å; V277-L282 HydrophobicContact CG1-CG 4.44Å
278R89.1Confident91.8Very high101 Ų10145.7 Ų45.738%0.38124%0.236SC..Hα-helixtrans-61.7-32.7174.3-69.2-178.6-178.8-90.78.4112.7S274 E275 R280 E296S274-R278 PolarHBondContact O-N 3.27Å; E275-R278 PolarHBondContact O-N 3.38Å; R278-R280 PolarHBondContact O-N 3.17Å; R278-E296 IonicContact CZ-OE1 3.35Å; R278-E296 IonicContact CZ-OE2 3.67Å; R278-E296 IonicContact NH1-OE1 3.71Å; R278-E296 PolarHBondContact NH1-OE1 3.31Å; R278-E296 IonicContact NH1-OE2 2.71Å; R278-E296 PolarHBondContact NH1-OE2 3.35Å; R278-E296 IonicContact NH2-OE1 3.42Å; R278-E296 PolarHBondContact NH2-OE1 2.87Å; R278-E296 IonicContact NH2-OE2 2.96Å
279S88.9Confident91.8Very high95 Ų9547 Ų4766%0.66424%0.244SC*.THydrogen-bonded Turntrans-67.92.3176.472.90000115.2E275 R276 V277E275-S279 WeakPolarHBondContact O-CB 3.28Å; E275-S279 PolarHBondContact O-N 3.12Å; E275-S279 PolarHBondContact O-OG 3.46Å; R276-S279 PolarHBondContact O-OG 3.19Å; V277-S279 VanDerWaalsContact C-N 3.26Å; V277-S279 PolarHBondContact O-N 2.95Å
280R87.2Confident91.8Very high82 Ų8247.4 Ų47.431%0.30925%0.246SC..THydrogen-bonded Turntrans-100-0.8-176.3-64174170.1-93.910.2114.6D257 R276 V277 R278D257-R280 IonicContact OD1-CZ 3.66Å; D257-R280 IonicContact OD1-NH1 3.02Å; D257-R280 PolarHBondContact OD1-NH1 2.91Å; D257-R280 IonicContact OD1-NH2 3.75Å; D257-R280 PolarHBondContact OD1-NH2 3Å; R276-R280 WeakPolarHBondContact O-CD 3.22Å; R276-R280 WeakPolarHBondContact O-CG 3.32Å; R276-R280 PolarHBondContact O-NE 3.38Å; R276-R280 VanDerWaalsContact O-NE 3.07Å; V277-R280 WeakPolarHBondContact O-CB 3.2Å; V277-R280 PolarHBondContact O-N 3.25Å; R278-R280 PolarHBondContact O-N 3.17Å
281G79.9Confident91.7Very high59 Ų5950.1 Ų50.161%0.60826%0.261SS*.  trans71.758-177.400000112.3E283G281-E283 PolarHBondContact O-N 2.64Å; G281-E283 VanDerWaalsContact O-N 3.08Å
282L86.8Confident91.8Very high35 Ų3552.5 Ų52.518%0.18328%0.275CS..  trans-74.695.8177.3-68.1-167000111.5L218 C259 V277 V285L218-L282 HydrophobicContact CD2-CD1 3.78Å; C259-L282 HydrophobicContact CB-CD2 4.2Å; C259-L282 VanDerWaalsContact O-CD2 3.24Å; C259-L282 WeakPolarHBondContact O-CD2 3.46Å; V277-L282 HydrophobicContact CG1-CD1 3.58Å; V277-L282 HydrophobicContact CG1-CG 4.44Å; L282-V285 HydrophobicContact CB-CB 4.33Å; L282-V285 HydrophobicContact CB-CG2 3.87Å; L282-V285 HydrophobicContact CD1-CG1 4.45Å; L282-V285 HydrophobicContact CD1-CG2 4.35Å; L282-V285 HydrophobicContact CG-CG2 4.48Å
283E83.2Confident92Very high151 Ų15153.3 Ų53.371%0.70628%0.278SS*.THydrogen-bonded Turntrans-85.3139.7173.4-64.9-179.5177.400111.6R216 G281 V285R216-E283 PolarHBondContact NH1-O 2.75Å; R216-E283 PolarHBondContact NH2-O 2.73Å; G281-E283 PolarHBondContact O-N 2.64Å; G281-E283 VanDerWaalsContact O-N 3.08Å; E283-V285 VanDerWaalsContact C-N 3.35Å; E283-V285 PolarHBondContact O-N 2.83Å
284E89.5Confident92.2Very high115 Ų11556.4 Ų56.454%0.53730%0.297SS..THydrogen-bonded Turntrans54.234.7179.3-23.6179.2111.200117R216 F299R216-E284 IonicContact NH2-OE2 3.11Å; R216-E284 PolarHBondContact NH2-OE2 2.88Å; E284-F299 HydrophobicContact CB-CE1 4.16Å; E284-F299 HydrophobicContact CB-CE2 4.43Å; E284-F299 HydrophobicContact CB-CZ 3.59Å; E284-F299 VanDerWaalsContact O-CE2 3.27Å; E284-F299 WeakPolarHBondContact O-CE2 3.37Å; E284-F299 VanDerWaalsContact O-CZ 3.28Å; E284-F299 WeakPolarHBondContact O-CZ 3.37Å
285V95.6Very high92.4Very high9 Ų957.2 Ų57.26%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-99.9135.6177.3-177.20000110.7R216 L218 Y265 L282 E283 I287R216-V285 HydrophobicContact CB-CG2 4.19Å; R216-V285 WeakPolarHBondContact O-CG1 3.45Å; L218-V285 HydrophobicContact CB-CG1 3.87Å; Y265-V285 HydrophobicContact CE2-CG1 4.41Å; Y265-V285 VanDerWaalsContact OH-CG1 3.32Å; Y265-V285 WeakPolarHBondContact OH-CG1 3.19Å; Y265-V285 VanDerWaalsContact OH-CG2 3.24Å; Y265-V285 WeakPolarHBondContact OH-CG2 3.28Å; L282-V285 HydrophobicContact CB-CB 4.33Å; L282-V285 HydrophobicContact CB-CG2 3.87Å; L282-V285 HydrophobicContact CD1-CG1 4.45Å; L282-V285 HydrophobicContact CD1-CG2 4.35Å; L282-V285 HydrophobicContact CG-CG2 4.48Å; E283-V285 VanDerWaalsContact C-N 3.35Å; E283-V285 PolarHBondContact O-N 2.83Å; V285-I287 HydrophobicContact CB-CG1 4.35Å; V285-I287 HydrophobicContact CG1-CG1 3.84Å
286V97.3Very high92.6Very high0 Ų055.8 Ų55.80%029%0.293CS..EExtended strand (participates in β ladder)trans-84.2122166.8178.60000108.3L207 R215 R216 I217 L218 L295 E296 F299L207-V286 HydrophobicContact CD2-CG1 4.49Å; R215-V286 HydrophobicContact CB-CG2 4.14Å; R215-V286 HydrophobicContact CG-CG2 4.36Å; R216-V286 PolarHBondContact O-N 2.94Å; I217-V286 WeakPolarHBondContact CA-O 3.33Å; I217-V286 HydrophobicContact CG1-CB 4.35Å; L218-V286 PolarHBondContact N-O 3.45Å; V286-L295 HydrophobicContact CG1-CD1 3.92Å; V286-E296 WeakPolarHBondContact CA-O 3.35Å; V286-F299 HydrophobicContact CG2-CD2 3.68Å; V286-F299 HydrophobicContact CG2-CE2 3.97Å
287I97.2Very high92.7Very high10 Ų1053.2 Ų53.25%0.05129%0.288CS..EExtended strand (participates in β ladder)trans-120.7118.4-175.8-56.2179.1000109.6L218 F220 V285 L295 E296L218-I287 HydrophobicContact CB-CG1 4.32Å; L218-I287 HydrophobicContact CD2-CG1 4.42Å; L218-I287 WeakPolarHBondContact O-CA 3.26Å; F220-I287 HydrophobicContact CD2-CG2 3.61Å; F220-I287 HydrophobicContact CE2-CG2 3.52Å; V285-I287 HydrophobicContact CB-CG1 4.35Å; V285-I287 HydrophobicContact CG1-CG1 3.84Å; I287-L295 CarbonylContact O-C 3.56Å; I287-L295 WeakPolarHBondContact O-CA 3.38Å; I287-E296 HydrophobicContact CB-CB 4.29Å; I287-E296 PolarHBondContact N-O 2.91Å; I287-E296 PolarHBondContact O-N 2.82Å
288L97.7Very high92.8Very high1 Ų157.4 Ų57.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-103126.2165.3177.662.9000109.9V199 N203 L207 L218 I219 F220 V290 L295V199-L288 HydrophobicContact CG1-CD2 3.85Å; V199-L288 HydrophobicContact CG2-CD2 3.97Å; N203-L288 HydrophobicContact CB-CD1 4.27Å; L207-L288 HydrophobicContact CD1-CD2 3.55Å; L207-L288 HydrophobicContact CD2-CB 4.45Å; L207-L288 HydrophobicContact CG-CD2 4.47Å; L218-L288 PolarHBondContact O-N 3.2Å; I219-L288 CarbonylContact C-O 3.58Å; I219-L288 WeakPolarHBondContact CA-O 3.44Å; F220-L288 PolarHBondContact N-O 3.26Å; L288-V290 HydrophobicContact CD2-CG2 3.9Å; L288-V290 HydrophobicContact CG-CG2 4.11Å; L288-L295 HydrophobicContact CB-CD1 3.83Å; L288-L295 HydrophobicContact CD1-CB 4.25Å; L288-L295 HydrophobicContact CD1-CD1 4.26Å
289N97Very high93Very high28 Ų2854.2 Ų54.215%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-97.5106.2159.8-178.44.9000109.9F220 D291 T292 N293 T294F220-N289 HydrophobicContact CB-CB 4.46Å; N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 3.35Å; N289-D291 WeakPolarHBondContact OD1-CB 3.49Å; N289-D291 PolarHBondContact OD1-N 3.46Å; N289-D291 VanDerWaalsContact OD1-N 3.12Å; N289-T292 VanDerWaalsContact CG-OG1 3.31Å; N289-T292 PolarHBondContact ND2-OG1 3.03Å; N289-T292 PolarHBondContact O-N 2.97Å; N289-T292 PolarHBondContact O-OG1 2.83Å; N289-N293 WeakPolarHBondContact O-CA 3.46Å; N289-N293 PolarHBondContact O-N 3.44Å; N289-T294 PolarHBondContact N-O 3.25Å; N289-T294 PolarHBondContact O-N 3.47Å
290V96.6Very high93.2Very high9 Ų953.3 Ų53.36%0.05529%0.293CS..THydrogen-bonded Turntrans-67.2-32.1-178.5-174.30000111.2A198 V199 I219 F220 T226 L288 T292 N293A198-V290 HydrophobicContact CB-CG1 3.77Å; V199-V290 HydrophobicContact CG2-CG1 4.04Å; V199-V290 HydrophobicContact CG2-CG2 4.27Å; I219-V290 HydrophobicContact CG2-CG2 3.57Å; F220-V290 PolarHBondContact O-N 2.67Å; T226-V290 HydrophobicContact CG2-CG1 3.92Å; L288-V290 HydrophobicContact CD2-CG2 3.9Å; L288-V290 HydrophobicContact CG-CG2 4.11Å; V290-T292 PolarHBondContact O-N 2.94Å; V290-T292 VanDerWaalsContact O-N 3.07Å; V290-N293 PolarHBondContact O-N 2.98Å
291D94.7Very high93.4Very high63 Ų6349.5 Ų49.534%0.33728%0.278SS..THydrogen-bonded Turntrans-63.6-18.2-179.6-55.8-37.9000112.8S221 S222 T271 N289S221-D291 WeakPolarHBondContact CA-OD1 3.28Å; S221-D291 WeakPolarHBondContact CA-OD2 3.42Å; S221-D291 PolarHBondContact OG-OD1 3.44Å; S222-D291 WeakPolarHBondContact CB-OD1 3.41Å; S222-D291 WeakPolarHBondContact CB-OD2 3.33Å; S222-D291 VanDerWaalsContact N-CG 3.27Å; S222-D291 PolarHBondContact N-OD1 3.27Å; S222-D291 PolarHBondContact N-OD2 2.81Å; S222-D291 VanDerWaalsContact OG-CG 3.31Å; S222-D291 PolarHBondContact OG-OD1 3.47Å; T271-D291 WeakPolarHBondContact CB-OD2 3.27Å; T271-D291 PolarHBondContact OG1-OD2 3.13Å; N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 3.35Å; N289-D291 WeakPolarHBondContact OD1-CB 3.49Å; N289-D291 PolarHBondContact OD1-N 3.46Å; N289-D291 VanDerWaalsContact OD1-N 3.12Å
292T95.8Very high94Very high83 Ų8348.9 Ų48.951%0.50926%0.261SS..THydrogen-bonded Turntrans-129.6-0.2-178.654.70000114N289 V290 T294N289-T292 VanDerWaalsContact CG-OG1 3.31Å; N289-T292 PolarHBondContact ND2-OG1 3.03Å; N289-T292 PolarHBondContact O-N 2.97Å; N289-T292 PolarHBondContact O-OG1 2.83Å; V290-T292 PolarHBondContact O-N 2.94Å; V290-T292 VanDerWaalsContact O-N 3.07Å; T292-T294 PolarHBondContact O-N 2.9Å; T292-T294 VanDerWaalsContact O-N 3.16Å; T292-T294 PolarHBondContact OG1-OG1 3.13Å
293N96.8Very high94.2Very high39 Ų3955 Ų5521%0.20929%0.286CS..THydrogen-bonded Turntrans46.434.6-167.8-94.1-78.2000114.5A198 V199 D200 N203 N289 V290A198-N293 PolarHBondContact O-ND2 2.84Å; V199-N293 WeakPolarHBondContact CA-OD1 3.37Å; D200-N293 PolarHBondContact N-OD1 3.23Å; D200-N293 VanDerWaalsContact OD2-CB 3.28Å; D200-N293 WeakPolarHBondContact OD2-CB 3.22Å; N203-N293 PolarHBondContact ND2-O 3.47Å; N203-N293 PolarHBondContact ND2-OD1 2.91Å; N289-N293 WeakPolarHBondContact O-CA 3.46Å; N289-N293 PolarHBondContact O-N 3.44Å; V290-N293 PolarHBondContact O-N 2.98Å
294T96.3Very high94.6Very high66 Ų6651.8 Ų51.841%0.40527%0.27SS..EExtended strand (participates in β ladder)trans-94119.3175.251.80000110.6N289 T292N289-T294 PolarHBondContact N-O 3.25Å; N289-T294 PolarHBondContact O-N 3.47Å; T292-T294 PolarHBondContact O-N 2.9Å; T292-T294 VanDerWaalsContact O-N 3.16Å; T292-T294 PolarHBondContact OG1-OG1 3.13Å
295L96.5Very high94.8Very high39 Ų3946.5 Ų46.520%0.20425%0.245CC..EExtended strand (participates in β ladder)trans-106.4122.7174.9-174.678.3000110.2N203 Q206 L207 V286 I287 L288 T297N203-L295 WeakPolarHBondContact OD1-CB 3.32Å; Q206-L295 HydrophobicContact CB-CD2 3.31Å; Q206-L295 HydrophobicContact CG-CD2 3.87Å; L207-L295 HydrophobicContact CD2-CD1 4.25Å; L207-L295 HydrophobicContact CG-CD1 4.48Å; V286-L295 HydrophobicContact CG1-CD1 3.92Å; I287-L295 CarbonylContact O-C 3.56Å; I287-L295 WeakPolarHBondContact O-CA 3.38Å; L288-L295 HydrophobicContact CB-CD1 3.83Å; L288-L295 HydrophobicContact CD1-CB 4.25Å; L288-L295 HydrophobicContact CD1-CD1 4.26Å; L295-T297 HydrophobicContact CD2-CG2 4.44Å
296E94.7Very high94.7Very high82 Ų8246.2 Ų46.238%0.38324%0.244SC..EExtended strand (participates in β ladder)trans-103.5122169.5-65.4157.9-129.200108.3R278 V286 I287R278-E296 IonicContact CZ-OE1 3.35Å; R278-E296 IonicContact CZ-OE2 3.67Å; R278-E296 IonicContact NH1-OE1 3.71Å; R278-E296 PolarHBondContact NH1-OE1 3.31Å; R278-E296 IonicContact NH1-OE2 2.71Å; R278-E296 PolarHBondContact NH1-OE2 3.35Å; R278-E296 IonicContact NH2-OE1 3.42Å; R278-E296 PolarHBondContact NH2-OE1 2.87Å; R278-E296 IonicContact NH2-OE2 2.96Å; V286-E296 WeakPolarHBondContact CA-O 3.35Å; I287-E296 HydrophobicContact CB-CB 4.29Å; I287-E296 PolarHBondContact N-O 2.91Å; I287-E296 PolarHBondContact O-N 2.82Å
297T94.8Very high94.5Very high50 Ų5049.8 Ų49.831%0.30727%0.273SS..  trans-139.4131.3172.9174.10000110.2L295 F299L295-T297 HydrophobicContact CD2-CG2 4.44Å; T297-F299 VanDerWaalsContact C-N 3.27Å; T297-F299 PolarHBondContact OG1-N 2.94Å; T297-F299 PolarHBondContact OG1-O 2.93Å
298P92.6Very high94.2Very high89 Ų8954.8 Ų54.858%0.57830%0.3SS*.SBendtrans-82.3-6.3168.331.9-29.3000112.3
299F94.1Very high94Very high33 Ų3354.9 Ų54.915%0.14530%0.301CS..  trans-106.3137.9-176.7-45.5-73000112.6R215 E284 V286 T297 D301R215-F299 HydrophobicContact CB-CE2 4.43Å; R215-F299 HydrophobicContact CG-CD2 4.03Å; R215-F299 HydrophobicContact CG-CE2 4.04Å; E284-F299 HydrophobicContact CB-CE1 4.16Å; E284-F299 HydrophobicContact CB-CE2 4.43Å; E284-F299 HydrophobicContact CB-CZ 3.59Å; E284-F299 VanDerWaalsContact O-CE2 3.27Å; E284-F299 WeakPolarHBondContact O-CE2 3.37Å; E284-F299 VanDerWaalsContact O-CZ 3.28Å; E284-F299 WeakPolarHBondContact O-CZ 3.37Å; V286-F299 HydrophobicContact CG2-CD2 3.68Å; V286-F299 HydrophobicContact CG2-CE2 3.97Å; T297-F299 VanDerWaalsContact C-N 3.27Å; T297-F299 PolarHBondContact OG1-N 2.94Å; T297-F299 PolarHBondContact OG1-O 2.93Å; F299-D301 VanDerWaalsContact C-N 3.28Å; F299-D301 HydrophobicContact CB-CB 4.5Å; F299-D301 VanDerWaalsContact CB-OD2 3.31Å; F299-D301 WeakPolarHBondContact CB-OD2 3.44Å; F299-D301 PolarHBondContact O-N 3.41Å
300D92.4Very high93.8Very high77 Ų7754.1 Ų54.141%0.41230%0.296SS..  trans-94.144.6174.8-159.27.2000111.5L302 K303D300-L302 PolarHBondContact O-N 3.35Å; D300-K303 VanDerWaalsContact CG-NZ 3.28Å; D300-K303 PolarHBondContact O-N 3.26Å; D300-K303 VanDerWaalsContact OD1-CD 3.26Å; D300-K303 WeakPolarHBondContact OD1-CD 3.46Å; D300-K303 WeakPolarHBondContact OD1-CE 3.32Å; D300-K303 WeakPolarHBondContact OD1-CG 3.39Å; D300-K303 IonicContact OD1-NZ 2.65Å; D300-K303 PolarHBondContact OD1-NZ 3.07Å; D300-K303 VanDerWaalsContact OD1-NZ 3.11Å; D300-K303 WeakPolarHBondContact OD2-CD 3.29Å; D300-K303 WeakPolarHBondContact OD2-CE 3.46Å; D300-K303 IonicContact OD2-NZ 2.69Å; D300-K303 PolarHBondContact OD2-NZ 3.36Å
301D93.3Very high93.7Very high1 Ų156.7 Ų56.71%0.00531%0.314CS..G310 helixtrans-69-31.7-167.6-75.3-25.4000113.4A209 F213 R215 F299 K303 K304A209-D301 HydrophobicContact CB-CB 4.46Å; F213-D301 HydrophobicContact CD2-CB 3.62Å; F213-D301 HydrophobicContact CE2-CB 4.06Å; F213-D301 HydrophobicContact CG-CB 4.32Å; R215-D301 IonicContact CZ-OD1 3.21Å; R215-D301 IonicContact CZ-OD2 2.72Å; R215-D301 IonicContact NE-OD1 3.94Å; R215-D301 IonicContact NE-OD2 2.8Å; R215-D301 PolarHBondContact NE-OD2 3.43Å; R215-D301 IonicContact NH2-OD1 2.97Å; R215-D301 PolarHBondContact NH2-OD1 2.92Å; R215-D301 IonicContact NH2-OD2 3.2Å; R215-D301 PolarHBondContact NH2-OD2 3.02Å; F299-D301 VanDerWaalsContact C-N 3.28Å; F299-D301 HydrophobicContact CB-CB 4.5Å; F299-D301 VanDerWaalsContact CB-OD2 3.31Å; F299-D301 WeakPolarHBondContact CB-OD2 3.44Å; F299-D301 PolarHBondContact O-N 3.41Å; D301-K303 PolarHBondContact O-N 2.81Å; D301-K304 WeakPolarHBondContact O-CB 3.43Å; D301-K304 PolarHBondContact O-N 3Å; D301-K304 WeakPolarHBondContact OD1-CE 3.29Å; D301-K304 IonicContact OD1-NZ 3.36Å; D301-K304 PolarHBondContact OD1-NZ 3.48Å
302L91.7Very high93.6Very high47 Ų4755.3 Ų55.325%0.24632%0.315CS..G310 helixtrans-58.6-30.7176.9178.863.9000113.1Q206 A209 D300 K304 M310Q206-L302 HydrophobicContact CG-CD2 4.29Å; Q206-L302 VanDerWaalsContact OE1-CB 3.27Å; A209-L302 HydrophobicContact CB-CB 4.29Å; A209-L302 HydrophobicContact CB-CD1 4.45Å; D300-L302 PolarHBondContact O-N 3.35Å; L302-K304 VanDerWaalsContact C-N 3.33Å; L302-M310 HydrophobicContact CD1-CB 4.15Å; L302-M310 HydrophobicContact CD1-CE 3.31Å; L302-M310 HydrophobicContact CD1-CG 3.93Å; L302-M310 HydrophobicContact CD1-SD 4.44Å
303K90.9Very high93.5Very high162 Ų16251.6 Ų51.670%0.70429%0.292SS*.G310 helixtrans-79.5-13.5178.1-64.1-174.8-156.9147.20113.9D300 D301 I305D300-K303 VanDerWaalsContact CG-NZ 3.28Å; D300-K303 PolarHBondContact O-N 3.26Å; D300-K303 VanDerWaalsContact OD1-CD 3.26Å; D300-K303 WeakPolarHBondContact OD1-CD 3.46Å; D300-K303 WeakPolarHBondContact OD1-CE 3.32Å; D300-K303 WeakPolarHBondContact OD1-CG 3.39Å; D300-K303 IonicContact OD1-NZ 2.65Å; D300-K303 PolarHBondContact OD1-NZ 3.07Å; D300-K303 VanDerWaalsContact OD1-NZ 3.11Å; D300-K303 WeakPolarHBondContact OD2-CD 3.29Å; D300-K303 WeakPolarHBondContact OD2-CE 3.46Å; D300-K303 IonicContact OD2-NZ 2.69Å; D300-K303 PolarHBondContact OD2-NZ 3.36Å; D301-K303 PolarHBondContact O-N 2.81Å; K303-I305 VanDerWaalsContact C-N 3.33Å
304K91.6Very high93.4Very high85 Ų8554.9 Ų54.937%0.3731%0.305SS..G310 helixtrans-83.5-13.5175.5-56.7173.9-171.1167.50112.3F213 D301 L302F213-K304 HydrophobicContact CE1-CB 4.29Å; F213-K304 HydrophobicContact CE1-CD 3.93Å; F213-K304 HydrophobicContact CE2-CB 3.93Å; F213-K304 HydrophobicContact CE2-CD 4.29Å; F213-K304 HydrophobicContact CZ-CB 3.44Å; F213-K304 VanDerWaalsContact CZ-CB 3.44Å; F213-K304 HydrophobicContact CZ-CD 3.79Å; F213-K304 HydrophobicContact CZ-CG 4.27Å; D301-K304 WeakPolarHBondContact O-CB 3.43Å; D301-K304 PolarHBondContact O-N 3Å; D301-K304 WeakPolarHBondContact OD1-CE 3.29Å; D301-K304 IonicContact OD1-NZ 3.36Å; D301-K304 PolarHBondContact OD1-NZ 3.48Å; L302-K304 VanDerWaalsContact C-N 3.33Å
305I93.7Very high93.2Very high4 Ų456 Ų562%0.02131%0.311CS..SBendtrans-92.5139.5177-52.9-179.5000108.6A209 L212 F213 K303 A307 M310 L339 F373A209-I305 HydrophobicContact CB-CD1 3.53Å; L212-I305 HydrophobicContact CD1-CD1 3.85Å; F213-I305 HydrophobicContact CE2-CD1 4.3Å; F213-I305 HydrophobicContact CE2-CG1 3.88Å; K303-I305 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.36Å; I305-M310 HydrophobicContact CB-CG 3.91Å; I305-M310 HydrophobicContact CD1-SD 4.33Å; I305-M310 HydrophobicContact CG2-CG 3.55Å; I305-M310 HydrophobicContact CG2-SD 3.9Å; I305-L339 HydrophobicContact CG2-CD1 4.31Å; I305-L339 HydrophobicContact CG2-CD2 3.73Å; I305-F373 HydrophobicContact CG1-CD2 4.16Å; I305-F373 HydrophobicContact CG1-CE2 4.19Å
306P93.8Very high93Very high3 Ų355.5 Ų55.52%0.01931%0.311CS..  trans-50.6122.4174.5-29.536.5000113.2D308 V309 M310 L339 M370P306-D308 VanDerWaalsContact C-N 3.29Å; P306-D308 VanDerWaalsContact C-OD1 3.29Å; P306-D308 WeakPolarHBondContact CB-OD1 3.4Å; P306-D308 PolarHBondContact O-N 3.4Å; P306-V309 HydrophobicContact CB-CG2 4.24Å; P306-V309 PolarHBondContact O-N 3.37Å; P306-V309 VanDerWaalsContact O-N 3.15Å; P306-M310 PolarHBondContact O-N 3.09Å; P306-L339 HydrophobicContact CG-CD2 4.44Å; P306-M370 HydrophobicContact CG-CB 4.11Å; P306-M370 HydrophobicContact CG-CE 3.9Å; P306-M370 HydrophobicContact CG-SD 3.91Å
307A91.8Very high92.9Very high75 Ų7551.6 Ų51.662%0.6229%0.293SS*.Hα-helixtrans-70.7-23.5-169.800000113.3I305 S311I305-A307 PolarHBondContact O-N 3.36Å; A307-S311 WeakPolarHBondContact O-CB 3.48Å; A307-S311 PolarHBondContact O-N 3.01Å; A307-S311 PolarHBondContact O-OG 3.5Å
308D91.3Very high92.6Very high114 Ų11456 Ų5661%0.6131%0.307SS*.Hα-helixtrans-61.9-45.2169.258.8-45.2000111.6P306 S311 G312P306-D308 VanDerWaalsContact C-N 3.29Å; P306-D308 VanDerWaalsContact C-OD1 3.29Å; P306-D308 WeakPolarHBondContact CB-OD1 3.4Å; P306-D308 PolarHBondContact O-N 3.4Å; D308-S311 PolarHBondContact O-OG 3.19Å; D308-G312 PolarHBondContact O-N 3.07Å
309V93.6Very high92.4Very high4 Ų459.6 Ų59.62%0.02431%0.31CS..Hα-helixtrans-66.4-47.2176.3-177.70000110.9P306 G312 L313 A335 L338 L339P306-V309 HydrophobicContact CB-CG2 4.24Å; P306-V309 PolarHBondContact O-N 3.37Å; P306-V309 VanDerWaalsContact O-N 3.15Å; V309-G312 PolarHBondContact O-N 3.03Å; V309-L313 WeakPolarHBondContact O-CB 3.35Å; V309-L313 PolarHBondContact O-N 3.15Å; V309-A335 HydrophobicContact CG1-CB 3.97Å; V309-L338 HydrophobicContact CG1-CB 4.27Å; V309-L338 HydrophobicContact CG1-CD1 4.45Å; V309-L338 HydrophobicContact CG2-CB 3.89Å; V309-L338 HydrophobicContact CG2-CD1 4.35Å; V309-L339 HydrophobicContact CB-CD2 4.38Å; V309-L339 HydrophobicContact CG1-CD1 4.5Å; V309-L339 HydrophobicContact CG1-CD2 4.22Å; V309-L339 HydrophobicContact CG1-CG 4.08Å; V309-L339 HydrophobicContact CG2-CD2 4.28Å
310M93.8Very high91.8Very high12 Ų1260.3 Ų60.36%0.05931%0.313CS..Hα-helixtrans-72.1-31.9-176.8-65.4-55.9-7600113.4L205 Y208 L302 I305 P306 L313 K314L205-M310 HydrophobicContact CB-CE 4.02Å; L205-M310 HydrophobicContact CD2-CE 3.69Å; L205-M310 HydrophobicContact CG-CE 4.46Å; Y208-M310 HydrophobicContact CD1-CE 3.94Å; Y208-M310 HydrophobicContact CD1-SD 4.16Å; Y208-M310 HydrophobicContact CE1-SD 4.14Å; L302-M310 HydrophobicContact CD1-CB 4.15Å; L302-M310 HydrophobicContact CD1-CE 3.31Å; L302-M310 HydrophobicContact CD1-CG 3.93Å; L302-M310 HydrophobicContact CD1-SD 4.44Å; I305-M310 HydrophobicContact CB-CG 3.91Å; I305-M310 HydrophobicContact CD1-SD 4.33Å; I305-M310 HydrophobicContact CG2-CG 3.55Å; I305-M310 HydrophobicContact CG2-SD 3.9Å; P306-M310 PolarHBondContact O-N 3.09Å; M310-L313 HydrophobicContact SD-CD2 4.28Å; M310-K314 VanDerWaalsContact O-CB 3.31Å; M310-K314 WeakPolarHBondContact O-CB 3.38Å; M310-K314 PolarHBondContact O-N 3.09Å
311S92.9Very high91Very high62 Ų6258.4 Ų58.443%0.43431%0.308SS..Hα-helixtrans-72.3-42172.159.10000111.9A307 D308 L313 K314 V315A307-S311 WeakPolarHBondContact O-CB 3.48Å; A307-S311 PolarHBondContact O-N 3.01Å; A307-S311 PolarHBondContact O-OG 3.5Å; D308-S311 PolarHBondContact O-OG 3.19Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.12Å; S311-K314 WeakPolarHBondContact O-CB 3.39Å; S311-K314 PolarHBondContact O-N 3.2Å; S311-V315 WeakPolarHBondContact O-CG2 3.33Å; S311-V315 PolarHBondContact O-N 2.96Å
312G92.7Very high90.2Very high35 Ų3563.5 Ų63.536%0.36134%0.339SS..Hα-helixtrans-58-44.117200000112.5D308 V309 V315 C316D308-G312 PolarHBondContact O-N 3.07Å; V309-G312 PolarHBondContact O-N 3.03Å; G312-V315 PolarHBondContact O-N 2.97Å; G312-C316 WeakPolarHBondContact O-CB 3.46Å; G312-C316 PolarHBondContact O-N 3.42Å; G312-C316 PolarHBondContact O-SG 2.95Å; G312-C316 VanDerWaalsContact O-SG 3.32Å
313L94.7Very high89.7Confident5 Ų564.3 Ų64.33%0.02635%0.348CS..Hα-helixtrans-62.1-47.1173.5-178.858.6000111.4L205 Y208 V309 M310 S311 V315 C316 L317 A331 F332 A335L205-L313 HydrophobicContact CD2-CB 4.22Å; L205-L313 HydrophobicContact CD2-CD2 3.63Å; L205-L313 HydrophobicContact CD2-CG 3.74Å; Y208-L313 HydrophobicContact CD1-CD2 3.99Å; Y208-L313 HydrophobicContact CE1-CD2 3.91Å; V309-L313 WeakPolarHBondContact O-CB 3.35Å; V309-L313 PolarHBondContact O-N 3.15Å; M310-L313 HydrophobicContact SD-CD2 4.28Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.12Å; L313-V315 VanDerWaalsContact C-N 3.35Å; L313-V315 PolarHBondContact O-N 2.75Å; L313-C316 PolarHBondContact O-N 3.03Å; L313-L317 HydrophobicContact CD1-CD1 4.03Å; L313-L317 HydrophobicContact CD1-CD2 4.48Å; L313-L317 HydrophobicContact CD1-CG 4.02Å; L313-L317 HydrophobicContact CG-CD1 3.94Å; L313-L317 HydrophobicContact CG-CG 4.35Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 3.48Å; L313-A331 HydrophobicContact CD1-CB 3.84Å; L313-F332 HydrophobicContact CD1-CD1 4.06Å; L313-F332 HydrophobicContact CD1-CE1 4.25Å; L313-F332 HydrophobicContact CD1-CG 4.29Å; L313-F332 HydrophobicContact CD2-CD1 3.99Å; L313-F332 HydrophobicContact CD2-CE1 3.89Å; L313-A335 HydrophobicContact CB-CB 4.48Å; L313-A335 HydrophobicContact CD1-CB 4.32Å; L313-A335 HydrophobicContact CD2-CB 3.99Å; L313-A335 HydrophobicContact CG-CB 4.5Å
314K94.8Very high89.5Confident107 Ų10760.6 Ų60.647%0.46534%0.341SS..Hα-helixtrans-56.8-43.3177.4-173.2174.6-178.6-179.20113V201 L205 M310 S311 K318V201-K314 HydrophobicContact CG1-CG 4.39Å; L205-K314 HydrophobicContact CD1-CB 3.64Å; L205-K314 HydrophobicContact CD1-CD 3.98Å; L205-K314 HydrophobicContact CD1-CG 3.71Å; M310-K314 VanDerWaalsContact O-CB 3.31Å; M310-K314 WeakPolarHBondContact O-CB 3.38Å; M310-K314 PolarHBondContact O-N 3.09Å; S311-K314 WeakPolarHBondContact O-CB 3.39Å; S311-K314 PolarHBondContact O-N 3.2Å; K314-K318 WeakPolarHBondContact O-CB 3.3Å; K314-K318 PolarHBondContact O-N 3.12Å
315V92.3Very high89.4Confident90 Ų9057.9 Ų57.955%0.54534%0.338SS..Hα-helixtrans-68.2-44.2177.3171.60000111.1S311 G312 L313 K318 R319S311-V315 WeakPolarHBondContact O-CG2 3.33Å; S311-V315 PolarHBondContact O-N 2.96Å; G312-V315 PolarHBondContact O-N 2.97Å; L313-V315 VanDerWaalsContact C-N 3.35Å; L313-V315 PolarHBondContact O-N 2.75Å; V315-K318 PolarHBondContact O-N 3.37Å; V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 2.87Å; V315-R319 VanDerWaalsContact O-N 3.1Å
316C91.6Very high89.1Confident28 Ų2860.3 Ų60.319%0.18935%0.354CS..Hα-helixtrans-60.1-47.6175.6-74.20000111.8G312 L313 R319 Q320 A331G312-C316 WeakPolarHBondContact O-CB 3.46Å; G312-C316 PolarHBondContact O-N 3.42Å; G312-C316 PolarHBondContact O-SG 2.95Å; G312-C316 VanDerWaalsContact O-SG 3.32Å; L313-C316 PolarHBondContact O-N 3.03Å; C316-R319 PolarHBondContact O-N 3.37Å; C316-Q320 WeakPolarHBondContact O-CB 3.46Å; C316-Q320 VanDerWaalsContact O-CG 3.31Å; C316-Q320 WeakPolarHBondContact O-CG 3.2Å; C316-Q320 PolarHBondContact O-N 3.32Å; C316-Q320 PolarHBondContact O-OE1 3.39Å; C316-A331 HydrophobicContact CB-CB 3.71Å
317L92.6Very high89Confident1 Ų161.1 Ų61.11%0.00536%0.363CS..Hα-helixtrans-60.7-49.6177.6-68.7174.2000112.1V201 L204 L205 L313 R319 Q320 A321 V328 F332V201-L317 HydrophobicContact CG1-CB 3.86Å; V201-L317 HydrophobicContact CG1-CD1 4.11Å; V201-L317 HydrophobicContact CG2-CB 4.48Å; L204-L317 HydrophobicContact CD2-CD1 4.31Å; L205-L317 HydrophobicContact CD2-CD1 4.18Å; L313-L317 HydrophobicContact CD1-CD1 4.03Å; L313-L317 HydrophobicContact CD1-CD2 4.48Å; L313-L317 HydrophobicContact CD1-CG 4.02Å; L313-L317 HydrophobicContact CG-CD1 3.94Å; L313-L317 HydrophobicContact CG-CG 4.35Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 3.48Å; L317-R319 PolarHBondContact O-N 3.22Å; L317-Q320 PolarHBondContact O-N 2.85Å; L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 2.88Å; L317-V328 HydrophobicContact CD2-CB 4.49Å; L317-V328 HydrophobicContact CD2-CG1 3.83Å; L317-V328 HydrophobicContact CD2-CG2 4.47Å; L317-F332 HydrophobicContact CD1-CE2 4.33Å; L317-F332 HydrophobicContact CD1-CZ 3.93Å; L317-F332 HydrophobicContact CD2-CD2 4.31Å; L317-F332 HydrophobicContact CD2-CE2 3.66Å; L317-F332 HydrophobicContact CD2-CZ 4.12Å
318K89.6Confident89.1Confident141 Ų14157.6 Ų57.661%0.61333%0.334SS*.Hα-helixtrans-53.4-40.6175.5-89.4-164.5167.5-162.50112.5K314 V315K314-K318 WeakPolarHBondContact O-CB 3.3Å; K314-K318 PolarHBondContact O-N 3.12Å; V315-K318 PolarHBondContact O-N 3.37Å
319R87.6Confident89.2Confident166 Ų16652.8 Ų52.863%0.62631%0.309SS*.Hα-helixtrans-79.3-36-178.9-178175.860.2-171-4.9113.5V315 C316 L317V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 2.87Å; V315-R319 VanDerWaalsContact O-N 3.1Å; C316-R319 PolarHBondContact O-N 3.37Å; L317-R319 PolarHBondContact O-N 3.22Å
320Q82.3Confident89.2Confident47 Ų4757.6 Ų57.622%0.2233%0.327CS..Hα-helixtrans-97.9-18.4-168.5-68.1166.8-2700113.8C316 L317 V322 S323 G327 V328C316-Q320 WeakPolarHBondContact O-CB 3.46Å; C316-Q320 VanDerWaalsContact O-CG 3.31Å; C316-Q320 WeakPolarHBondContact O-CG 3.2Å; C316-Q320 PolarHBondContact O-N 3.32Å; C316-Q320 PolarHBondContact O-OE1 3.39Å; L317-Q320 PolarHBondContact O-N 2.85Å; Q320-V322 PolarHBondContact O-N 2.96Å; Q320-V322 VanDerWaalsContact O-N 3.12Å; Q320-S323 PolarHBondContact O-N 2.89Å; Q320-G327 PolarHBondContact OE1-O 2.83Å; Q320-V328 HydrophobicContact CB-CG2 4.45Å
321A75.1Confident89.2Confident37 Ų3757.4 Ų57.431%0.30633%0.327SS..THydrogen-bonded Turntrans-60.4-19173.900000113.9I196 L317I196-A321 HydrophobicContact CG2-CB 3.6Å; L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 2.88Å
322V75.7Confident89.3Confident109 Ų10954.5 Ų54.566%0.66131%0.307SS*.THydrogen-bonded Turntrans-97.1-6.7177.8-165.30000112.2Q320Q320-V322 PolarHBondContact O-N 2.96Å; Q320-V322 VanDerWaalsContact O-N 3.12Å
323S81.9Confident89.5Confident63 Ų6353 Ų5344%0.44129%0.291SS..SBendtrans-102.2133.7179.6-177.30000110.8Q320Q320-S323 PolarHBondContact O-N 2.89Å
324P85.8Confident89.4Confident84 Ų8457 Ų5755%0.54531%0.307SS..  trans-65.2165.5164.130-34.2000111.4I186I186-P324 CarbonylContact O-C 3.52Å; I186-P324 WeakPolarHBondContact O-CA 3.33Å; I186-P324 WeakPolarHBondContact O-CB 3.4Å
325G89.3Confident89.5Confident29 Ų2952 Ų5230%0.29929%0.287SS..BIsolated β-bridgetrans100-171.7-177.600000114.3S185 I186 G327S185-G325 WeakPolarHBondContact CA-O 3.27Å; I186-G325 PolarHBondContact N-O 2.88Å; I186-G325 PolarHBondContact O-N 3.24Å; G325-G327 PolarHBondContact O-N 2.94Å
326C89.1Confident89.6Confident54 Ų5447.8 Ų47.837%0.36526%0.261SS..SBendtrans-83.317.3-175.560.10000114.8L183 V328 S329 R330L183-C326 HydrophobicContact CB-CB 4.05Å; C326-V328 PolarHBondContact O-N 2.98Å; C326-S329 PolarHBondContact O-N 2.96Å; C326-R330 WeakPolarHBondContact O-CB 3.43Å; C326-R330 PolarHBondContact O-N 2.69Å
327G91.2Very high89.8Confident20 Ų2046.6 Ų46.621%0.20625%0.253CS..Hα-helixtrans-56.8-50.9-171.600000113.5Q320 G325 R330 A331Q320-G327 PolarHBondContact OE1-O 2.83Å; G325-G327 PolarHBondContact O-N 2.94Å; G327-R330 PolarHBondContact O-N 2.99Å; G327-A331 PolarHBondContact O-N 3.2Å
328V92.5Very high89.8Confident1 Ų150.1 Ų50.11%0.00627%0.272CS..Hα-helixtrans-58-52178171.70000111.5I186 L192 I196 L317 Q320 C326 R330 A331 F332I186-V328 HydrophobicContact CD1-CB 4.2Å; I186-V328 HydrophobicContact CD1-CG2 3.8Å; L192-V328 HydrophobicContact CD1-CG1 3.95Å; L192-V328 HydrophobicContact CD2-CB 4.4Å; L192-V328 HydrophobicContact CD2-CG1 4.31Å; L192-V328 HydrophobicContact CG-CG1 4.44Å; I196-V328 HydrophobicContact CD1-CG1 3.68Å; I196-V328 HydrophobicContact CD1-CG2 4.42Å; I196-V328 HydrophobicContact CG1-CG1 3.98Å; I196-V328 HydrophobicContact CG1-CG2 4.43Å; L317-V328 HydrophobicContact CD2-CB 4.49Å; L317-V328 HydrophobicContact CD2-CG1 3.83Å; L317-V328 HydrophobicContact CD2-CG2 4.47Å; Q320-V328 HydrophobicContact CB-CG2 4.45Å; C326-V328 PolarHBondContact O-N 2.98Å; V328-R330 PolarHBondContact O-N 3.47Å; V328-A331 WeakPolarHBondContact O-CB 3.44Å; V328-A331 PolarHBondContact O-N 3.28Å; V328-F332 HydrophobicContact CG1-CD2 4.12Å; V328-F332 HydrophobicContact CG1-CE2 3.93Å; V328-F332 WeakPolarHBondContact O-CD2 3.39Å; V328-F332 PolarHBondContact O-N 2.94Å
329S93.8Very high90.1Very high13 Ų1343.6 Ų43.69%0.09124%0.243CC..Hα-helixtrans-57.1-38.8177.1-57.50000112.1P184 L192 C326 F332 L333P184-S329 WeakPolarHBondContact O-CB 3.43Å; P184-S329 PolarHBondContact O-OG 3.16Å; L192-S329 WeakPolarHBondContact CD2-OG 3.35Å; C326-S329 PolarHBondContact O-N 2.96Å; S329-F332 PolarHBondContact O-N 3.42Å; S329-L333 WeakPolarHBondContact O-CB 3.3Å; S329-L333 PolarHBondContact O-N 2.9Å
330R93.2Very high90.4Very high105 Ų10535.7 Ų35.740%0.39621%0.214SC..Hα-helixtrans-73.1-28.1177.8-166.4167.7-176.1179.3-1.5113.3L183 C326 G327 V328 K334 E407L183-R330 HydrophobicContact CD1-CB 4.21Å; C326-R330 WeakPolarHBondContact O-CB 3.43Å; C326-R330 PolarHBondContact O-N 2.69Å; G327-R330 PolarHBondContact O-N 2.99Å; V328-R330 PolarHBondContact O-N 3.47Å; R330-K334 WeakPolarHBondContact O-CB 3.46Å; R330-K334 PolarHBondContact O-N 3.24Å; R330-E407 IonicContact CZ-OE1 3.02Å; R330-E407 IonicContact CZ-OE2 3.56Å; R330-E407 VanDerWaalsContact CZ-OE2 3.27Å; R330-E407 IonicContact NE-OE1 3.01Å; R330-E407 PolarHBondContact NE-OE1 3.11Å; R330-E407 IonicContact NE-OE2 2.68Å; R330-E407 PolarHBondContact NE-OE2 2.88Å; R330-E407 IonicContact NH2-OE1 2.7Å; R330-E407 IonicContact NH2-OE2 2.72Å; R330-E407 PolarHBondContact NH2-OE2 2.9Å
331A94.4Very high90.9Very high8 Ų833.8 Ų33.87%0.06621%0.207CC..Hα-helixtrans-64.4-45.9171.600000111.3L313 C316 G327 V328 K334 A335L313-A331 HydrophobicContact CD1-CB 3.84Å; C316-A331 HydrophobicContact CB-CB 3.71Å; G327-A331 PolarHBondContact O-N 3.2Å; V328-A331 WeakPolarHBondContact O-CB 3.44Å; V328-A331 PolarHBondContact O-N 3.28Å; A331-K334 PolarHBondContact O-N 3.02Å; A331-A335 PolarHBondContact O-N 3.27Å
332F95.9Very high91.6Very high1 Ų133.6 Ų33.60%0.00421%0.209CC..Hα-helixtrans-64.8-43.5173.4-74.7-73.4000112.3L204 Y208 V237 L313 L317 V328 S329 K334 A335 Q336L204-F332 HydrophobicContact CD1-CZ 4.16Å; L204-F332 HydrophobicContact CD2-CE2 4.33Å; L204-F332 HydrophobicContact CD2-CZ 3.93Å; L204-F332 HydrophobicContact CG-CZ 3.93Å; Y208-F332 HydrophobicContact CD1-CE1 4.44Å; Y208-F332 AromaticContact CD2-CD1 3.77Å; Y208-F332 HydrophobicContact CD2-CD1 3.77Å; Y208-F332 AromaticContact CD2-CE1 3.81Å; Y208-F332 HydrophobicContact CD2-CE1 3.81Å; Y208-F332 AromaticContact CE2-CD1 3.8Å; Y208-F332 HydrophobicContact CE2-CD1 3.8Å; Y208-F332 HydrophobicContact CE2-CE1 4.3Å; Y208-F332 HydrophobicContact CG-CD1 4.22Å; Y208-F332 AromaticContact CG-CE1 3.89Å; Y208-F332 HydrophobicContact CG-CE1 3.89Å; V237-F332 HydrophobicContact CB-CB 3.97Å; V237-F332 HydrophobicContact CB-CD1 3.85Å; V237-F332 HydrophobicContact CB-CD2 3.86Å; V237-F332 HydrophobicContact CB-CE1 4.27Å; V237-F332 HydrophobicContact CB-CE2 4.28Å; V237-F332 HydrophobicContact CB-CG 3.63Å; V237-F332 HydrophobicContact CB-CZ 4.47Å; V237-F332 HydrophobicContact CG1-CB 4.29Å; V237-F332 HydrophobicContact CG1-CD1 4.29Å; V237-F332 HydrophobicContact CG1-CD2 3.4Å; V237-F332 VanDerWaalsContact CG1-CD2 3.4Å; V237-F332 HydrophobicContact CG1-CE1 4.49Å; V237-F332 HydrophobicContact CG1-CE2 3.66Å; V237-F332 HydrophobicContact CG1-CG 3.75Å; V237-F332 HydrophobicContact CG1-CZ 4.21Å; V237-F332 HydrophobicContact CG2-CD1 4.31Å; V237-F332 HydrophobicContact CG2-CE1 4.35Å; L313-F332 HydrophobicContact CD1-CD1 4.06Å; L313-F332 HydrophobicContact CD1-CE1 4.25Å; L313-F332 HydrophobicContact CD1-CG 4.29Å; L313-F332 HydrophobicContact CD2-CD1 3.99Å; L313-F332 HydrophobicContact CD2-CE1 3.89Å; L317-F332 HydrophobicContact CD1-CE2 4.33Å; L317-F332 HydrophobicContact CD1-CZ 3.93Å; L317-F332 HydrophobicContact CD2-CD2 4.31Å; L317-F332 HydrophobicContact CD2-CE2 3.66Å; L317-F332 HydrophobicContact CD2-CZ 4.12Å; V328-F332 HydrophobicContact CG1-CD2 4.12Å; V328-F332 HydrophobicContact CG1-CE2 3.93Å; V328-F332 WeakPolarHBondContact O-CD2 3.39Å; V328-F332 PolarHBondContact O-N 2.94Å; S329-F332 PolarHBondContact O-N 3.42Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 2.87Å; F332-A335 WeakPolarHBondContact O-CB 3.44Å; F332-A335 PolarHBondContact O-N 2.93Å; F332-A335 VanDerWaalsContact O-N 3.08Å; F332-Q336 WeakPolarHBondContact O-CG 3.49Å; F332-Q336 PolarHBondContact O-N 3.3Å
333L95.3Very high92.5Very high5 Ų528.4 Ų28.43%0.02618%0.177CC..Hα-helixtrans-55.4-43173.7-178.866.1000112L183 Y239 S329 Q336 A337 L403 F404 E407L183-L333 HydrophobicContact CD1-CD2 4.01Å; L183-L333 HydrophobicContact CD2-CD2 4.41Å; Y239-L333 HydrophobicContact CD1-CD1 3.77Å; Y239-L333 HydrophobicContact CE1-CD1 3.76Å; S329-L333 WeakPolarHBondContact O-CB 3.3Å; S329-L333 PolarHBondContact O-N 2.9Å; L333-Q336 PolarHBondContact O-N 3.01Å; L333-A337 WeakPolarHBondContact O-CB 3.43Å; L333-A337 PolarHBondContact O-N 2.89Å; L333-L403 HydrophobicContact CD2-CB 4.09Å; L333-F404 HydrophobicContact CD1-CB 3.94Å; L333-F404 HydrophobicContact CD1-CD2 3.96Å; L333-F404 HydrophobicContact CD1-CG 4.47Å; L333-E407 HydrophobicContact CD2-CB 4.06Å; L333-E407 HydrophobicContact CD2-CG 4.34Å; L333-E407 HydrophobicContact CG-CB 4.09Å; L333-E407 HydrophobicContact CG-CG 4.27Å
334K94.4Very high92.8Very high87 Ų8726.1 Ų26.138%0.37816%0.159SC..Hα-helixtrans-67.5-38.7176.3-174174.3-179.9-179.80112R330 A331 F332 A337 L338 E407R330-K334 WeakPolarHBondContact O-CB 3.46Å; R330-K334 PolarHBondContact O-N 3.24Å; A331-K334 PolarHBondContact O-N 3.02Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 2.87Å; K334-A337 PolarHBondContact O-N 3.23Å; K334-L338 HydrophobicContact CG-CD1 4.2Å; K334-L338 HydrophobicContact CG-CG 4.48Å; K334-L338 VanDerWaalsContact O-CG 3.31Å; K334-L338 WeakPolarHBondContact O-CG 3.37Å; K334-L338 PolarHBondContact O-N 3.26Å; K334-E407 HydrophobicContact CB-CG 4.29Å
335A95.6Very high93Very high4 Ų425.2 Ų25.23%0.03315%0.15CC..Hα-helixtrans-62.2-46.8173.800000111.4Y208 V309 L313 A331 F332 A337 L338 L339Y208-A335 HydrophobicContact CE1-CB 4.48Å; V309-A335 HydrophobicContact CG1-CB 3.97Å; L313-A335 HydrophobicContact CB-CB 4.48Å; L313-A335 HydrophobicContact CD1-CB 4.32Å; L313-A335 HydrophobicContact CD2-CB 3.99Å; L313-A335 HydrophobicContact CG-CB 4.5Å; A331-A335 PolarHBondContact O-N 3.27Å; F332-A335 WeakPolarHBondContact O-CB 3.44Å; F332-A335 PolarHBondContact O-N 2.93Å; F332-A335 VanDerWaalsContact O-N 3.08Å; A335-A337 VanDerWaalsContact C-N 3.31Å; A335-A337 PolarHBondContact O-N 3.23Å; A335-L338 PolarHBondContact O-N 3.21Å; A335-L339 WeakPolarHBondContact O-CG 3.02Å; A335-L339 PolarHBondContact O-N 2.85Å
336Q95.5Very high93.2Very high0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-57.1-43.5172.7-69.1-68.577.100111.6Y208 L238 F332 L333 L338 L339 F340 F404Y208-Q336 PolarHBondContact OH-OE1 3.46Å; L238-Q336 PolarHBondContact O-NE2 3.32Å; F332-Q336 WeakPolarHBondContact O-CG 3.49Å; F332-Q336 PolarHBondContact O-N 3.3Å; L333-Q336 PolarHBondContact O-N 3.01Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 3.32Å; Q336-L339 PolarHBondContact O-N 2.89Å; Q336-F340 WeakPolarHBondContact O-CB 3.4Å; Q336-F340 PolarHBondContact O-N 3.23Å; Q336-F404 HydrophobicContact CB-CD2 4.43Å; Q336-F404 HydrophobicContact CB-CE2 3.88Å
337A94.8Very high93.3Very high4 Ų421.9 Ų21.93%0.03312%0.121CC..Hα-helixtrans-66-33.6179.500000112.9L333 K334 A335 G341 F404 E407 I408L333-A337 WeakPolarHBondContact O-CB 3.43Å; L333-A337 PolarHBondContact O-N 2.89Å; K334-A337 PolarHBondContact O-N 3.23Å; A335-A337 VanDerWaalsContact C-N 3.31Å; A335-A337 PolarHBondContact O-N 3.23Å; A337-G341 WeakPolarHBondContact O-CA 3.33Å; A337-G341 PolarHBondContact O-N 3.29Å; A337-F404 HydrophobicContact CB-CD2 4.32Å; A337-F404 HydrophobicContact CB-CE2 4.15Å; A337-E407 HydrophobicContact CB-CB 4.44Å; A337-I408 HydrophobicContact CB-CG1 3.86Å
338L93.9Very high93.2Very high74 Ų7424.2 Ų24.239%0.38713%0.127SC..Hα-helixtrans-75.6-34.7175.4-70169.9000113V309 K334 A335 Q336 M370 C411V309-L338 HydrophobicContact CG1-CB 4.27Å; V309-L338 HydrophobicContact CG1-CD1 4.45Å; V309-L338 HydrophobicContact CG2-CB 3.89Å; V309-L338 HydrophobicContact CG2-CD1 4.35Å; K334-L338 HydrophobicContact CG-CD1 4.2Å; K334-L338 HydrophobicContact CG-CG 4.48Å; K334-L338 VanDerWaalsContact O-CG 3.31Å; K334-L338 WeakPolarHBondContact O-CG 3.37Å; K334-L338 PolarHBondContact O-N 3.26Å; A335-L338 PolarHBondContact O-N 3.21Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 3.32Å; L338-M370 WeakPolarHBondContact O-CE 3.48Å; L338-C411 HydrophobicContact CD2-CB 4.21Å
339L94.3Very high92.9Very high4 Ų426.4 Ų26.42%0.02115%0.15CC..Hα-helixtrans-77.3-44.6178.6-68.2172.8000112.6L212 I305 P306 V309 A335 Q336 M370 F373L212-L339 HydrophobicContact CD1-CD1 3.66Å; I305-L339 HydrophobicContact CG2-CD1 4.31Å; I305-L339 HydrophobicContact CG2-CD2 3.73Å; P306-L339 HydrophobicContact CG-CD2 4.44Å; V309-L339 HydrophobicContact CB-CD2 4.38Å; V309-L339 HydrophobicContact CG1-CD1 4.5Å; V309-L339 HydrophobicContact CG1-CD2 4.22Å; V309-L339 HydrophobicContact CG1-CG 4.08Å; V309-L339 HydrophobicContact CG2-CD2 4.28Å; A335-L339 WeakPolarHBondContact O-CG 3.02Å; A335-L339 PolarHBondContact O-N 2.85Å; Q336-L339 PolarHBondContact O-N 2.89Å; L339-M370 HydrophobicContact CD2-CE 4.4Å; L339-F373 HydrophobicContact CB-CE1 3.87Å; L339-F373 HydrophobicContact CB-CZ 4.17Å; L339-F373 HydrophobicContact CD1-CZ 4.13Å; L339-F373 HydrophobicContact CD2-CD1 4.23Å; L339-F373 HydrophobicContact CD2-CE1 3.92Å; L339-F373 HydrophobicContact CD2-CZ 4.1Å; L339-F373 HydrophobicContact CG-CE1 4.32Å; L339-F373 HydrophobicContact CG-CZ 4.35Å
340F94.6Very high92.4Very high0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-112.3-11.4-169.6-64.5-82.5000114.5L212 M241 Q336 G342 Y343 F373 A377 F382 F383 F404L212-F340 HydrophobicContact CD2-CE2 3.77Å; L212-F340 HydrophobicContact CD2-CZ 4.02Å; M241-F340 HydrophobicContact CE-CB 3.67Å; M241-F340 HydrophobicContact CE-CD1 3.83Å; M241-F340 HydrophobicContact CE-CD2 3.84Å; M241-F340 HydrophobicContact CE-CE1 4.38Å; M241-F340 HydrophobicContact CE-CE2 4.42Å; M241-F340 HydrophobicContact CE-CG 3.51Å; M241-F340 HydrophobicContact SD-CD1 4.46Å; M241-F340 HydrophobicContact SD-CD2 4.32Å; M241-F340 HydrophobicContact SD-CE1 4.43Å; M241-F340 HydrophobicContact SD-CE2 4.34Å; M241-F340 HydrophobicContact SD-CG 4.39Å; M241-F340 HydrophobicContact SD-CZ 4.38Å; Q336-F340 WeakPolarHBondContact O-CB 3.4Å; Q336-F340 PolarHBondContact O-N 3.23Å; F340-G342 PolarHBondContact O-N 3.16Å; F340-Y343 WeakPolarHBondContact O-CB 3.34Å; F340-Y343 WeakPolarHBondContact O-CD1 3.19Å; F340-Y343 PolarHBondContact O-N 3.04Å; F340-F373 HydrophobicContact CE1-CE1 4.42Å; F340-F373 HydrophobicContact CE1-CZ 4.46Å; F340-F373 HydrophobicContact CE2-CZ 4.18Å; F340-F373 HydrophobicContact CZ-CE1 4.21Å; F340-F373 AromaticContact CZ-CZ 3.86Å; F340-F373 HydrophobicContact CZ-CZ 3.86Å; F340-A377 HydrophobicContact CE1-CB 3.98Å; F340-F382 HydrophobicContact CE1-CE2 4.47Å; F340-F382 AromaticContact CZ-CE2 3.91Å; F340-F382 HydrophobicContact CZ-CE2 3.91Å; F340-F382 HydrophobicContact CZ-CZ 4.25Å; F340-F383 AromaticContact CD1-CD2 3.46Å; F340-F383 HydrophobicContact CD1-CD2 3.46Å; F340-F383 VanDerWaalsContact CD1-CD2 3.46Å; F340-F383 AromaticContact CD1-CE2 3.6Å; F340-F383 HydrophobicContact CD1-CE2 3.6Å; F340-F383 HydrophobicContact CD1-CG 4.29Å; F340-F383 HydrophobicContact CE1-CB 4.38Å; F340-F383 AromaticContact CE1-CD2 3.68Å; F340-F383 HydrophobicContact CE1-CD2 3.68Å; F340-F383 HydrophobicContact CE1-CE2 4.23Å; F340-F383 HydrophobicContact CE1-CG 4.09Å; F340-F383 HydrophobicContact CG-CD2 4.46Å; F340-F404 HydrophobicContact CB-CZ 4.27Å
341G92.4Very high91.5Very high8 Ų833.7 Ų33.78%0.08219%0.186CC..G310 helixtrans-58.9-23.5-175.500000115A337 Y343 R344A337-G341 WeakPolarHBondContact O-CA 3.33Å; A337-G341 PolarHBondContact O-N 3.29Å; G341-Y343 PolarHBondContact O-N 2.95Å; G341-Y343 VanDerWaalsContact O-N 3.07Å; G341-R344 PolarHBondContact O-N 3.42Å
342G90.6Very high90.6Very high33 Ų3341.7 Ų41.734%0.3422%0.222SC..G310 helixtrans-59.4-13.2171.400000114.7F340 R344 D345F340-G342 PolarHBondContact O-N 3.16Å; G342-R344 PolarHBondContact O-N 3.11Å; G342-D345 PolarHBondContact O-N 3.2Å; G342-D345 VanDerWaalsContact O-N 3.11Å
343Y93.3Very high89.8Confident0 Ų044.2 Ų44.20%025%0.248CC..G310 helixtrans-57-31.3174.395.2-81.2000112.7F340 G341 D345 A346 L347 F386 I387 R390 F404 E405 I408F340-Y343 WeakPolarHBondContact O-CB 3.34Å; F340-Y343 WeakPolarHBondContact O-CD1 3.19Å; F340-Y343 PolarHBondContact O-N 3.04Å; G341-Y343 PolarHBondContact O-N 2.95Å; G341-Y343 VanDerWaalsContact O-N 3.07Å; Y343-D345 VanDerWaalsContact C-N 3.32Å; Y343-D345 PolarHBondContact O-N 3.24Å; Y343-A346 PolarHBondContact O-N 2.96Å; Y343-A346 VanDerWaalsContact O-N 3.12Å; Y343-L347 HydrophobicContact CD2-CD1 4.32Å; Y343-L347 HydrophobicContact CD2-CG 4.41Å; Y343-L347 HydrophobicContact CE2-CD1 3.97Å; Y343-L347 PolarHBondContact O-N 3.49Å; Y343-F386 HydrophobicContact CD1-CE1 4.08Å; Y343-F386 HydrophobicContact CD1-CZ 4.37Å; Y343-F386 HydrophobicContact CD2-CE1 4.04Å; Y343-F386 HydrophobicContact CE1-CE1 4.01Å; Y343-F386 AromaticContact CE1-CZ 3.86Å; Y343-F386 HydrophobicContact CE1-CZ 3.86Å; Y343-F386 AromaticContact CE2-CE1 3.95Å; Y343-F386 HydrophobicContact CE2-CE1 3.95Å; Y343-F386 HydrophobicContact CE2-CZ 4.17Å; Y343-F386 HydrophobicContact CG-CE1 4.09Å; Y343-F386 AromaticContact CZ-CE1 3.93Å; Y343-F386 AromaticContact CZ-CZ 3.74Å; Y343-I387 HydrophobicContact CD2-CD1 3.53Å; Y343-I387 HydrophobicContact CE2-CD1 4.37Å; Y343-I387 HydrophobicContact CG-CD1 4.01Å; Y343-R390 HydrophobicContact CE2-CB 4.16Å; Y343-R390 HydrophobicContact CE2-CG 3.84Å; Y343-R390 PolarHBondContact OH-NE 3.19Å; Y343-F404 HydrophobicContact CD1-CE1 4.41Å; Y343-F404 AromaticContact CE1-CE1 3.87Å; Y343-F404 HydrophobicContact CE1-CE1 3.87Å; Y343-E405 VanDerWaalsContact OH-CD 3.3Å; Y343-E405 PolarHBondContact OH-OE1 3.29Å; Y343-E405 PolarHBondContact OH-OE2 3.42Å; Y343-I408 HydrophobicContact CD1-CD1 4.44Å; Y343-I408 HydrophobicContact CE1-CD1 3.87Å
344R89.9Confident89.3Confident15 Ų1548.5 Ų48.56%0.05727%0.272CS..G310 helixtrans-58.6-40.4175.9-75.3-175.1170.5179.2-7.9113G341 G342 A346 L347 E405 T409 E412 Y421G341-R344 PolarHBondContact O-N 3.42Å; G342-R344 PolarHBondContact O-N 3.11Å; R344-A346 PolarHBondContact O-N 3.09Å; R344-L347 PolarHBondContact O-N 2.96Å; R344-E405 IonicContact CZ-OE2 3.41Å; R344-E405 IonicContact NE-OE2 2.88Å; R344-E405 PolarHBondContact NE-OE2 3.4Å; R344-E405 PolarHBondContact NH2-O 3.45Å; R344-E405 IonicContact NH2-OE2 3.43Å; R344-E405 PolarHBondContact NH2-OE2 3.43Å; R344-T409 PolarHBondContact NH1-OG1 2.89Å; R344-T409 PolarHBondContact NH2-OG1 3.2Å; R344-E412 IonicContact CZ-OE1 3.28Å; R344-E412 IonicContact NH1-OE1 3.59Å; R344-E412 PolarHBondContact NH1-OE1 2.82Å; R344-Y421 HydrophobicContact CG-CG 4.47Å
345D90.1Very high89.2Confident65 Ų6545 Ų4535%0.34826%0.256SS..G310 helixtrans-72.1-17.8-179.1-69.9-31.4000111.7G342 Y343 V361 R417G342-D345 PolarHBondContact O-N 3.2Å; G342-D345 VanDerWaalsContact O-N 3.11Å; Y343-D345 VanDerWaalsContact C-N 3.32Å; Y343-D345 PolarHBondContact O-N 3.24Å; D345-V361 WeakPolarHBondContact O-CG1 3.47Å; D345-R417 IonicContact OD2-CZ 3.23Å; D345-R417 IonicContact OD2-NH1 3.94Å; D345-R417 PolarHBondContact OD2-NH1 3Å
346A92Very high89Confident1 Ų149.3 Ų49.31%0.00827%0.273CS..G310 helixtrans-95.6-4.1178.800000114.5Y343 R344 F357 C358 V361 F362Y343-A346 PolarHBondContact O-N 2.96Å; Y343-A346 VanDerWaalsContact O-N 3.12Å; R344-A346 PolarHBondContact O-N 3.09Å; A346-F357 HydrophobicContact CB-CD2 4.09Å; A346-F357 HydrophobicContact CB-CE2 3.78Å; A346-C358 PolarHBondContact O-N 3.2Å; A346-V361 HydrophobicContact CB-CB 4.39Å; A346-V361 HydrophobicContact CB-CG1 4.31Å; A346-F362 HydrophobicContact CB-CB 3.72Å; A346-F362 HydrophobicContact CB-CD2 4.4Å
347L91.6Very high89Confident11 Ų1150.7 Ų50.76%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-78119.9173.1-66.4175.7000110.2Y343 R344 I355 F357 L391 L394Y343-L347 HydrophobicContact CD2-CD1 4.32Å; Y343-L347 HydrophobicContact CD2-CG 4.41Å; Y343-L347 HydrophobicContact CE2-CD1 3.97Å; Y343-L347 PolarHBondContact O-N 3.49Å; R344-L347 PolarHBondContact O-N 2.96Å; L347-I355 HydrophobicContact CB-CG2 4.14Å; L347-I355 HydrophobicContact CD2-CG2 4.27Å; L347-F357 HydrophobicContact CD2-CD2 4.36Å; L347-L391 HydrophobicContact CD2-CD2 3.61Å; L347-L394 HydrophobicContact CD1-CD1 3.82Å
348Q90.1Very high89Confident69 Ų6951.5 Ų51.532%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-124146-179.5-62.6-17043.400110.6I355 Y356 C358Q348-I355 CarbonylContact O-C 3.6Å; Q348-I355 VanDerWaalsContact O-CA 3.31Å; Q348-I355 WeakPolarHBondContact O-CA 3.1Å; Q348-Y356 HydrophobicContact CB-CD1 4.43Å; Q348-Y356 HydrophobicContact CB-CE1 3.83Å; Q348-Y356 HydrophobicContact CB-CE2 4.15Å; Q348-Y356 PolarHBondContact N-O 3.38Å; Q348-Y356 WeakPolarHBondContact O-CD1 3.38Å; Q348-Y356 PolarHBondContact O-N 2.86Å; Q348-Y356 PolarHBondContact OE1-OH 2.96Å; Q348-C358 HydrophobicContact CG-CB 4.28Å; Q348-C358 PolarHBondContact NE2-SG 3.32Å; Q348-C358 VanDerWaalsContact NE2-SG 3.37Å
349G86.2Confident88.9Confident48 Ų4853.4 Ų53.450%0.49529%0.291SS..EExtended strand (participates in β ladder)trans-94.2136.2169.800000110.7D354G349-D354 WeakPolarHBondContact CA-O 3.33Å
350D82.7Confident88.8Confident74 Ų7460.9 Ų60.940%0.39633%0.326SS..  trans-85.1172.5168.4-16830.3000111.5E352 G353 D354 Y356D350-E352 PolarHBondContact O-N 2.88Å; D350-E352 VanDerWaalsContact O-N 3.14Å; D350-G353 PolarHBondContact O-N 2.76Å; D350-D354 PolarHBondContact N-O 3.46Å; D350-Y356 HydrophobicContact CB-CD1 4.21Å; D350-Y356 HydrophobicContact CB-CE1 3.96Å
351K74.7Confident88.6Confident196 Ų19664 Ų6485%0.85235%0.345SS*.THydrogen-bonded Turntrans-57.7-24-178.5-60.4153.5-162.4126.30113.8
352E75.4Confident88.7Confident176 Ų17664.1 Ų64.182%0.82234%0.343SS*.THydrogen-bonded Turntrans-85.4-12.7178.8-55.1-164.2164.200112.7D350D350-E352 PolarHBondContact O-N 2.88Å; D350-E352 VanDerWaalsContact O-N 3.14Å
353G78.1Confident88.7Confident54 Ų5464.3 Ų64.356%0.55734%0.336SS*.SBendtrans106-16.6174.600000115.1D350D350-G353 PolarHBondContact O-N 2.76Å
354D86.1Confident88.5Confident96 Ų9670 Ų7051%0.51337%0.366SS..  trans-68.1144.5174.7-80.4-35.9000112.2G349 D350G349-D354 WeakPolarHBondContact CA-O 3.33Å; D350-D354 PolarHBondContact N-O 3.46Å
355I91.4Very high88.5Confident12 Ų1271.6 Ų71.66%0.06238%0.375CS..EExtended strand (participates in β ladder)trans-94.8135.8176.5-61.3161.1000109.3L347 Q348 L391 L394 N395 L424 L428L347-I355 HydrophobicContact CB-CG2 4.14Å; L347-I355 HydrophobicContact CD2-CG2 4.27Å; Q348-I355 CarbonylContact O-C 3.6Å; Q348-I355 VanDerWaalsContact O-CA 3.31Å; Q348-I355 WeakPolarHBondContact O-CA 3.1Å; I355-L391 HydrophobicContact CG2-CD2 4.03Å; I355-L394 HydrophobicContact CD1-CB 4.05Å; I355-L394 HydrophobicContact CG2-CD1 4.43Å; I355-N395 WeakPolarHBondContact CA-OD1 3.47Å; I355-N395 VanDerWaalsContact CB-OD1 3.3Å; I355-N395 WeakPolarHBondContact CB-OD1 3.45Å; I355-N395 PolarHBondContact N-OD1 3.28Å; I355-N395 PolarHBondContact O-ND2 2.9Å; I355-N395 PolarHBondContact O-OD1 3.19Å; I355-L424 HydrophobicContact CD1-CD2 4.27Å; I355-L428 HydrophobicContact CD1-CD1 4.2Å
356Y92.4Very high88.2Confident95 Ų9578.4 Ų78.437%0.37340%0.401SS..EExtended strand (participates in β ladder)trans-129.4165.5175.269.1-84.1000110.8Q348 D350 C358Q348-Y356 HydrophobicContact CB-CD1 4.43Å; Q348-Y356 HydrophobicContact CB-CE1 3.83Å; Q348-Y356 HydrophobicContact CB-CE2 4.15Å; Q348-Y356 PolarHBondContact N-O 3.38Å; Q348-Y356 WeakPolarHBondContact O-CD1 3.38Å; Q348-Y356 PolarHBondContact O-N 2.86Å; Q348-Y356 PolarHBondContact OE1-OH 2.96Å; D350-Y356 HydrophobicContact CB-CD1 4.21Å; D350-Y356 HydrophobicContact CB-CE1 3.96Å; Y356-C358 HydrophobicContact CE2-CB 4.27Å
357F94.6Very high88Confident30 Ų3080.7 Ų80.713%0.13242%0.417CS..EExtended strand (participates in β ladder)trans-100.6127.7177.3178.8-106.4000110.2A346 L347 E359 F362 F383 I387 L391A346-F357 HydrophobicContact CB-CD2 4.09Å; A346-F357 HydrophobicContact CB-CE2 3.78Å; L347-F357 HydrophobicContact CD2-CD2 4.36Å; F357-E359 HydrophobicContact CD1-CG 4.24Å; F357-E359 HydrophobicContact CE1-CG 4.21Å; F357-F362 HydrophobicContact CE1-CB 4.39Å; F357-F362 HydrophobicContact CE1-CD1 4.46Å; F357-F362 HydrophobicContact CE1-CG 4.46Å; F357-F362 HydrophobicContact CE2-CB 4.15Å; F357-F362 HydrophobicContact CE2-CD2 4.07Å; F357-F362 HydrophobicContact CE2-CG 4.09Å; F357-F362 HydrophobicContact CZ-CB 3.66Å; F357-F362 AromaticContact CZ-CD1 3.75Å; F357-F362 HydrophobicContact CZ-CD1 3.75Å; F357-F362 AromaticContact CZ-CD2 3.87Å; F357-F362 HydrophobicContact CZ-CD2 3.87Å; F357-F362 HydrophobicContact CZ-CE1 4.29Å; F357-F362 HydrophobicContact CZ-CE2 4.4Å; F357-F362 AromaticContact CZ-CG 3.5Å; F357-F362 HydrophobicContact CZ-CG 3.5Å; F357-F362 VanDerWaalsContact CZ-CG 3.5Å; F357-F383 HydrophobicContact CE1-CE1 4.36Å; F357-F383 HydrophobicContact CE2-CZ 4.45Å; F357-F383 HydrophobicContact CZ-CE1 4.02Å; F357-F383 AromaticContact CZ-CZ 3.91Å; F357-F383 HydrophobicContact CZ-CZ 3.91Å; F357-I387 HydrophobicContact CB-CG2 3.67Å; F357-I387 HydrophobicContact CD1-CG2 4.03Å; F357-I387 HydrophobicContact CD2-CD1 3.97Å; F357-I387 HydrophobicContact CD2-CG2 4.04Å; F357-I387 HydrophobicContact CE2-CD1 3.79Å; F357-I387 HydrophobicContact CE2-CG1 4.37Å; F357-I387 HydrophobicContact CG-CG2 3.66Å; F357-I387 HydrophobicContact CZ-CD1 4.26Å; F357-I387 HydrophobicContact CZ-CG1 4.41Å; F357-L391 HydrophobicContact CB-CD1 4.15Å; F357-L391 HydrophobicContact CB-CD2 4.48Å
358C93.8Very high87.9Confident21 Ų2185 Ų8514%0.14244%0.444CS..  trans-102.1103.2-179.9-177.20000111.1A346 Q348 Y356 E360 V361 F362A346-C358 PolarHBondContact O-N 3.2Å; Q348-C358 HydrophobicContact CG-CB 4.28Å; Q348-C358 PolarHBondContact NE2-SG 3.32Å; Q348-C358 VanDerWaalsContact NE2-SG 3.37Å; Y356-C358 HydrophobicContact CE2-CB 4.27Å; C358-E360 VanDerWaalsContact C-N 3.31Å; C358-E360 PolarHBondContact O-N 3.35Å; C358-V361 HydrophobicContact CB-CB 4.38Å; C358-V361 HydrophobicContact CB-CG2 4.44Å; C358-V361 PolarHBondContact O-N 3.06Å; C358-F362 PolarHBondContact O-N 3.27Å; C358-F362 VanDerWaalsContact O-N 3.15Å
359E93.8Very high87.9Confident113 Ų11384.1 Ų84.153%0.52845%0.445SS..Hα-helixtrans-56.2-41.5-178.7-59.4-161.3169.100112.9F357 V361 F362 L363 I378F357-E359 HydrophobicContact CD1-CG 4.24Å; F357-E359 HydrophobicContact CE1-CG 4.21Å; E359-V361 PolarHBondContact O-N 3.08Å; E359-F362 PolarHBondContact O-N 3.45Å; E359-L363 WeakPolarHBondContact O-CB 3.24Å; E359-L363 VanDerWaalsContact O-CG 3.29Å; E359-L363 WeakPolarHBondContact O-CG 3.46Å; E359-L363 PolarHBondContact O-N 3.2Å; E359-I378 HydrophobicContact CB-CD1 3.56Å; E359-I378 HydrophobicContact CG-CD1 3.66Å
360E91.2Very high88.2Confident162 Ų16282.6 Ų82.676%0.75743%0.426SS*.Hα-helixtrans-60.1-42.9-179.3-61-176172.500112.6C358 L363 D364C358-E360 VanDerWaalsContact C-N 3.31Å; C358-E360 PolarHBondContact O-N 3.35Å; E360-L363 PolarHBondContact O-N 3.28Å; E360-D364 PolarHBondContact O-N 3.15Å; E360-D364 VanDerWaalsContact O-N 3.09Å
361V91.4Very high88.6Confident66 Ų6682.2 Ų82.240%0.442%0.42SS..Hα-helixtrans-73.1-32.8178.8174.60000111.5D345 A346 C358 E359 D364D345-V361 WeakPolarHBondContact O-CG1 3.47Å; A346-V361 HydrophobicContact CB-CB 4.39Å; A346-V361 HydrophobicContact CB-CG1 4.31Å; C358-V361 HydrophobicContact CB-CB 4.38Å; C358-V361 HydrophobicContact CB-CG2 4.44Å; C358-V361 PolarHBondContact O-N 3.06Å; E359-V361 PolarHBondContact O-N 3.08Å; V361-D364 PolarHBondContact O-N 2.95Å
362F92.6Very high89.4Confident9 Ų978.3 Ų78.34%0.03941%0.405CS..Hα-helixtrans-65.8-39.7173.2-175.1-116.1000112A346 F357 C358 E359 L374 I378 F383A346-F362 HydrophobicContact CB-CB 3.72Å; A346-F362 HydrophobicContact CB-CD2 4.4Å; F357-F362 HydrophobicContact CE1-CB 4.39Å; F357-F362 HydrophobicContact CE1-CD1 4.46Å; F357-F362 HydrophobicContact CE1-CG 4.46Å; F357-F362 HydrophobicContact CE2-CB 4.15Å; F357-F362 HydrophobicContact CE2-CD2 4.07Å; F357-F362 HydrophobicContact CE2-CG 4.09Å; F357-F362 HydrophobicContact CZ-CB 3.66Å; F357-F362 AromaticContact CZ-CD1 3.75Å; F357-F362 HydrophobicContact CZ-CD1 3.75Å; F357-F362 AromaticContact CZ-CD2 3.87Å; F357-F362 HydrophobicContact CZ-CD2 3.87Å; F357-F362 HydrophobicContact CZ-CE1 4.29Å; F357-F362 HydrophobicContact CZ-CE2 4.4Å; F357-F362 AromaticContact CZ-CG 3.5Å; F357-F362 HydrophobicContact CZ-CG 3.5Å; F357-F362 VanDerWaalsContact CZ-CG 3.5Å; C358-F362 PolarHBondContact O-N 3.27Å; C358-F362 VanDerWaalsContact O-N 3.15Å; E359-F362 PolarHBondContact O-N 3.45Å; F362-L374 HydrophobicContact CE1-CB 4.32Å; F362-L374 HydrophobicContact CE1-CD2 3.87Å; F362-L374 HydrophobicContact CE2-CD2 4.2Å; F362-L374 HydrophobicContact CZ-CD2 3.58Å; F362-L374 WeakPolarHBondContact O-CD1 3.42Å; F362-I378 HydrophobicContact CD1-CD1 4.29Å; F362-F383 HydrophobicContact CD1-CE1 4.33Å; F362-F383 HydrophobicContact CD1-CZ 4.38Å; F362-F383 AromaticContact CE1-CE1 3.57Å; F362-F383 HydrophobicContact CE1-CE1 3.57Å; F362-F383 AromaticContact CE1-CZ 3.56Å; F362-F383 HydrophobicContact CE1-CZ 3.56Å; F362-F383 HydrophobicContact CE2-CE2 4.5Å; F362-F383 AromaticContact CE2-CZ 3.85Å; F362-F383 HydrophobicContact CE2-CZ 3.85Å; F362-F383 AromaticContact CZ-CE1 3.76Å; F362-F383 HydrophobicContact CZ-CE1 3.76Å; F362-F383 AromaticContact CZ-CE2 3.91Å; F362-F383 HydrophobicContact CZ-CE2 3.91Å; F362-F383 AromaticContact CZ-CZ 3.22Å; F362-F383 HydrophobicContact CZ-CZ 3.22Å
363L92.1Very high90.3Very high38 Ų3870 Ų7020%0.19937%0.366CS..Hα-helixtrans-78.8-16.3179.9-64.9177.2000113.5E359 E360 H365 K371 L374 Q375 I378E359-L363 WeakPolarHBondContact O-CB 3.24Å; E359-L363 VanDerWaalsContact O-CG 3.29Å; E359-L363 WeakPolarHBondContact O-CG 3.46Å; E359-L363 PolarHBondContact O-N 3.2Å; E360-L363 PolarHBondContact O-N 3.28Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 3.42Å; L363-K371 WeakPolarHBondContact O-CD 3.36Å; L363-K371 WeakPolarHBondContact O-CE 3.36Å; L363-K371 WeakPolarHBondContact O-CG 3.47Å; L363-L374 VanDerWaalsContact CD2-C 3.47Å; L363-L374 HydrophobicContact CD2-CB 4.03Å; L363-L374 WeakPolarHBondContact CD2-O 3.49Å; L363-Q375 HydrophobicContact CD2-CB 4.46Å; L363-Q375 HydrophobicContact CD2-CG 3.98Å; L363-I378 HydrophobicContact CD1-CD1 4.06Å; L363-I378 HydrophobicContact CD2-CD1 4.22Å; L363-I378 HydrophobicContact CG-CD1 4.07Å
364D89Confident91.1Very high118 Ų11867.8 Ų67.863%0.63134%0.341SS*.  trans-82.566.1178.4-159.742.3000114.1E360 V361 K371E360-D364 PolarHBondContact O-N 3.15Å; E360-D364 VanDerWaalsContact O-N 3.09Å; V361-D364 PolarHBondContact O-N 2.95Å; D364-K371 IonicContact OD1-NZ 2.71Å; D364-K371 PolarHBondContact OD1-NZ 3.36Å
365H88.8Confident91.4Very high50 Ų5067.9 Ų67.923%0.23134%0.339CS..  trans-94.3135.8176.5-162.3-96.3000113.4L363 S367 M370 L374 R417L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 3.42Å; H365-S367 PolarHBondContact ND1-N 2.92Å; H365-S367 VanDerWaalsContact ND1-N 3.19Å; H365-S367 PolarHBondContact O-N 2.98Å; H365-M370 HydrophobicContact CB-CG 4.27Å; H365-M370 WeakPolarHBondContact ND1-CB 3.49Å; H365-M370 WeakPolarHBondContact ND1-CG 3.35Å; H365-L374 HydrophobicContact CB-CD1 4.08Å; H365-R417 PolarHBondContact CD2-NH2 3.07Å; H365-R417 VanDerWaalsContact CD2-NH2 3.33Å; H365-R417 PolarHBondContact NE2-NH2 3.05Å
366K84.8Confident91.4Very high207 Ų20769.5 Ų69.590%0.935%0.351SS*.SBendtrans-59.3-27.7-178.7-64.1-174.3178.9-176.10115.1
367S88Confident91.3Very high50 Ų5065 Ų6535%0.3533%0.334SS..SBendtrans-97.7124.4177.7173.60000110.6H365 S369 M370 K371H365-S367 PolarHBondContact ND1-N 2.92Å; H365-S367 VanDerWaalsContact ND1-N 3.19Å; H365-S367 PolarHBondContact O-N 2.98Å; S367-S369 PolarHBondContact O-N 3.33Å; S367-S369 PolarHBondContact OG-OG 3.03Å; S367-M370 PolarHBondContact O-N 2.63Å; S367-K371 PolarHBondContact O-N 3.37Å
368T88.9Confident91.2Very high102 Ų10264.5 Ų64.563%0.62633%0.332SS*.Hα-helixtrans-60.7-38.3-178.2-45.70000113.3K371 Q372T368-K371 PolarHBondContact O-N 3.41Å; T368-Q372 WeakPolarHBondContact O-CG 3.14Å; T368-Q372 PolarHBondContact O-N 2.58Å
369S89.9Confident91.1Very high49 Ų4970.7 Ų70.734%0.34336%0.359SS..Hα-helixtrans-66.6-42.4178.354.30000111.5S367 Q372 F373S367-S369 PolarHBondContact O-N 3.33Å; S367-S369 PolarHBondContact OG-OG 3.03Å; S369-Q372 PolarHBondContact O-N 3.37Å; S369-F373 PolarHBondContact O-N 3.4Å
370M91.8Very high91.1Very high17 Ų1765.9 Ų65.98%0.08434%0.337CS..Hα-helixtrans-65-39.5171.9-175.866.686.700111P306 L338 L339 H365 S367 Q372 F373 L374P306-M370 HydrophobicContact CG-CB 4.11Å; P306-M370 HydrophobicContact CG-CE 3.9Å; P306-M370 HydrophobicContact CG-SD 3.91Å; L338-M370 WeakPolarHBondContact O-CE 3.48Å; L339-M370 HydrophobicContact CD2-CE 4.4Å; H365-M370 HydrophobicContact CB-CG 4.27Å; H365-M370 WeakPolarHBondContact ND1-CB 3.49Å; H365-M370 WeakPolarHBondContact ND1-CG 3.35Å; S367-M370 PolarHBondContact O-N 2.63Å; M370-Q372 PolarHBondContact O-N 3.12Å; M370-F373 WeakPolarHBondContact O-CB 3.41Å; M370-F373 PolarHBondContact O-N 2.59Å; M370-F373 HydrophobicContact SD-CD1 3.91Å; M370-L374 HydrophobicContact CG-CD1 3.79Å; M370-L374 HydrophobicContact CG-CG 4.06Å; M370-L374 WeakPolarHBondContact O-CB 3.45Å; M370-L374 VanDerWaalsContact O-CG 3.24Å; M370-L374 WeakPolarHBondContact O-CG 3.33Å; M370-L374 PolarHBondContact O-N 2.72Å; M370-L374 HydrophobicContact SD-CD1 4.3Å; M370-L374 HydrophobicContact SD-CD2 4.29Å; M370-L374 HydrophobicContact SD-CG 4.09Å
371K91.9Very high91.2Very high66 Ų6661.6 Ų61.629%0.28732%0.317SS..Hα-helixtrans-60-43.1176.1-170.8154.4-171161.90112L363 D364 S367 T368 L374 Q375L363-K371 WeakPolarHBondContact O-CD 3.36Å; L363-K371 WeakPolarHBondContact O-CE 3.36Å; L363-K371 WeakPolarHBondContact O-CG 3.47Å; D364-K371 IonicContact OD1-NZ 2.71Å; D364-K371 PolarHBondContact OD1-NZ 3.36Å; S367-K371 PolarHBondContact O-N 3.37Å; T368-K371 PolarHBondContact O-N 3.41Å; K371-L374 PolarHBondContact O-N 3.41Å; K371-Q375 WeakPolarHBondContact O-CB 3.39Å; K371-Q375 VanDerWaalsContact O-CG 3.22Å; K371-Q375 WeakPolarHBondContact O-CG 3.18Å; K371-Q375 PolarHBondContact O-N 3.24Å
372Q91.8Very high91.3Very high114 Ų11458.5 Ų58.553%0.53330%0.298SS..Hα-helixtrans-64.4-40.2174.1-71.8172.4-19.900112.8T368 S369 M370 S376T368-Q372 WeakPolarHBondContact O-CG 3.14Å; T368-Q372 PolarHBondContact O-N 2.58Å; S369-Q372 PolarHBondContact O-N 3.37Å; M370-Q372 PolarHBondContact O-N 3.12Å; Q372-S376 PolarHBondContact O-N 2.7Å; Q372-S376 PolarHBondContact O-OG 3.28Å
373F94.3Very high91.4Very high1 Ų158.2 Ų58.20%0.00430%0.297CS..Hα-helixtrans-61-51.2172.5174-99.9000111.2F213 I305 L339 F340 S369 M370 Q375 S376 A377F213-F373 HydrophobicContact CZ-CD2 4.18Å; I305-F373 HydrophobicContact CG1-CD2 4.16Å; I305-F373 HydrophobicContact CG1-CE2 4.19Å; L339-F373 HydrophobicContact CB-CE1 3.87Å; L339-F373 HydrophobicContact CB-CZ 4.17Å; L339-F373 HydrophobicContact CD1-CZ 4.13Å; L339-F373 HydrophobicContact CD2-CD1 4.23Å; L339-F373 HydrophobicContact CD2-CE1 3.92Å; L339-F373 HydrophobicContact CD2-CZ 4.1Å; L339-F373 HydrophobicContact CG-CE1 4.32Å; L339-F373 HydrophobicContact CG-CZ 4.35Å; F340-F373 HydrophobicContact CE1-CE1 4.42Å; F340-F373 HydrophobicContact CE1-CZ 4.46Å; F340-F373 HydrophobicContact CE2-CZ 4.18Å; F340-F373 HydrophobicContact CZ-CE1 4.21Å; F340-F373 AromaticContact CZ-CZ 3.86Å; F340-F373 HydrophobicContact CZ-CZ 3.86Å; S369-F373 PolarHBondContact O-N 3.4Å; M370-F373 WeakPolarHBondContact O-CB 3.41Å; M370-F373 PolarHBondContact O-N 2.59Å; M370-F373 HydrophobicContact SD-CD1 3.91Å; F373-Q375 PolarHBondContact O-N 3.05Å; F373-S376 CarbonylContact O-C 3.56Å; F373-S376 WeakPolarHBondContact O-CA 3.45Å; F373-S376 WeakPolarHBondContact O-CB 3.35Å; F373-S376 PolarHBondContact O-N 3.42Å; F373-A377 HydrophobicContact CD1-CB 4.49Å; F373-A377 HydrophobicContact CE1-CB 4.13Å; F373-A377 HydrophobicContact CZ-CB 4.31Å; F373-A377 WeakPolarHBondContact O-CB 3.37Å; F373-A377 PolarHBondContact O-N 3.43Å
374L93.7Very high91.5Very high7 Ų761.7 Ų61.74%0.03731%0.31CS..Hα-helixtrans-66.2-35.4-177.4-63.5175.9000112.8F362 L363 H365 M370 K371 S376 A377 I378F362-L374 HydrophobicContact CE1-CB 4.32Å; F362-L374 HydrophobicContact CE1-CD2 3.87Å; F362-L374 HydrophobicContact CE2-CD2 4.2Å; F362-L374 HydrophobicContact CZ-CD2 3.58Å; F362-L374 WeakPolarHBondContact O-CD1 3.42Å; L363-L374 VanDerWaalsContact CD2-C 3.47Å; L363-L374 HydrophobicContact CD2-CB 4.03Å; L363-L374 WeakPolarHBondContact CD2-O 3.49Å; H365-L374 HydrophobicContact CB-CD1 4.08Å; M370-L374 HydrophobicContact CG-CD1 3.79Å; M370-L374 HydrophobicContact CG-CG 4.06Å; M370-L374 WeakPolarHBondContact O-CB 3.45Å; M370-L374 VanDerWaalsContact O-CG 3.24Å; M370-L374 WeakPolarHBondContact O-CG 3.33Å; M370-L374 PolarHBondContact O-N 2.72Å; M370-L374 HydrophobicContact SD-CD1 4.3Å; M370-L374 HydrophobicContact SD-CD2 4.29Å; M370-L374 HydrophobicContact SD-CG 4.09Å; K371-L374 PolarHBondContact O-N 3.41Å; L374-S376 PolarHBondContact O-N 2.8Å; L374-A377 PolarHBondContact O-N 3.5Å; L374-A377 VanDerWaalsContact O-N 3.12Å; L374-I378 PolarHBondContact O-N 3.06Å
375Q92.8Very high91.7Very high99 Ų9957 Ų5746%0.46329%0.285SS..Hα-helixtrans-60.5-31.2170-77.6175-41.600112.8L363 K371 F373L363-Q375 HydrophobicContact CD2-CB 4.46Å; L363-Q375 HydrophobicContact CD2-CG 3.98Å; K371-Q375 WeakPolarHBondContact O-CB 3.39Å; K371-Q375 VanDerWaalsContact O-CG 3.22Å; K371-Q375 WeakPolarHBondContact O-CG 3.18Å; K371-Q375 PolarHBondContact O-N 3.24Å; F373-Q375 PolarHBondContact O-N 3.05Å
376S90.8Very high92Very high46 Ų4655.2 Ų55.232%0.32228%0.276SS..Hα-helixtrans-79.9-38.8171.3-50.30000111.3Q372 F373 L374 I378 H379Q372-S376 PolarHBondContact O-N 2.7Å; Q372-S376 PolarHBondContact O-OG 3.28Å; F373-S376 CarbonylContact O-C 3.56Å; F373-S376 WeakPolarHBondContact O-CA 3.45Å; F373-S376 WeakPolarHBondContact O-CB 3.35Å; F373-S376 PolarHBondContact O-N 3.42Å; L374-S376 PolarHBondContact O-N 2.8Å; S376-I378 PolarHBondContact O-N 3.21Å; S376-H379 PolarHBondContact O-N 2.99Å
377A91.3Very high92.5Very high1 Ų145.7 Ų45.71%0.00824%0.235CC..Hα-helixtrans-71.7-27.8-170.400000114.1F340 F373 L374 H379 L380 F383F340-A377 HydrophobicContact CE1-CB 3.98Å; F373-A377 HydrophobicContact CD1-CB 4.49Å; F373-A377 HydrophobicContact CE1-CB 4.13Å; F373-A377 HydrophobicContact CZ-CB 4.31Å; F373-A377 WeakPolarHBondContact O-CB 3.37Å; F373-A377 PolarHBondContact O-N 3.43Å; L374-A377 PolarHBondContact O-N 3.5Å; L374-A377 VanDerWaalsContact O-N 3.12Å; A377-H379 PolarHBondContact O-N 3.14Å; A377-L380 HydrophobicContact CB-CD1 4.05Å; A377-L380 WeakPolarHBondContact O-CB 3.38Å; A377-L380 WeakPolarHBondContact O-CG 3.46Å; A377-L380 PolarHBondContact O-N 3.36Å; A377-F383 WeakPolarHBondContact O-CD1 3.31Å
378I92.1Very high92.8Very high18 Ų1846 Ų469%0.09223%0.232CC..THydrogen-bonded Turntrans-65.7-23.7-179-156164.7000113.2E359 F362 L363 L374 S376E359-I378 HydrophobicContact CB-CD1 3.56Å; E359-I378 HydrophobicContact CG-CD1 3.66Å; F362-I378 HydrophobicContact CD1-CD1 4.29Å; L363-I378 HydrophobicContact CD1-CD1 4.06Å; L363-I378 HydrophobicContact CD2-CD1 4.22Å; L363-I378 HydrophobicContact CG-CD1 4.07Å; L374-I378 PolarHBondContact O-N 3.06Å; S376-I378 PolarHBondContact O-N 3.21Å
379H91.9Very high92.8Very high151 Ų15143 Ų4370%0.69922%0.215SC*.THydrogen-bonded Turntrans-89.9-1.9178.5-60.1-47.2000114S376 A377S376-H379 PolarHBondContact O-N 2.99Å; A377-H379 PolarHBondContact O-N 3.14Å
380L94.1Very high93Very high13 Ų1341.9 Ų41.97%0.06820%0.204CC..  trans-78.5131.8-177.1-54.2172.4000111.2L212 E214 A377 F382 F383 K384L212-L380 WeakPolarHBondContact O-CD1 3.18Å; E214-L380 HydrophobicContact CB-CD2 4.22Å; E214-L380 HydrophobicContact CG-CB 4.43Å; E214-L380 HydrophobicContact CG-CD2 3.98Å; A377-L380 HydrophobicContact CB-CD1 4.05Å; A377-L380 WeakPolarHBondContact O-CB 3.38Å; A377-L380 WeakPolarHBondContact O-CG 3.46Å; A377-L380 PolarHBondContact O-N 3.36Å; L380-F382 VanDerWaalsContact C-N 3.33Å; L380-F382 HydrophobicContact CB-CD1 4.34Å; L380-F382 HydrophobicContact CB-CE1 4.15Å; L380-F382 HydrophobicContact CB-CZ 4.32Å; L380-F382 HydrophobicContact CD1-CE1 3.81Å; L380-F382 HydrophobicContact CD1-CE2 4.21Å; L380-F382 HydrophobicContact CD1-CZ 3.48Å; L380-F382 VanDerWaalsContact CD1-CZ 3.48Å; L380-F382 HydrophobicContact CG-CE1 4.46Å; L380-F382 HydrophobicContact CG-CZ 4.49Å; L380-F382 PolarHBondContact O-N 2.97Å; L380-F383 HydrophobicContact CB-CB 4.16Å; L380-F383 PolarHBondContact O-N 3.18Å; L380-F383 VanDerWaalsContact O-N 3.15Å; L380-K384 PolarHBondContact O-N 3.14Å
381Q94.2Very high93Very high72 Ų7242.5 Ų42.534%0.33621%0.207SC..Hα-helixtrans-66.1-34.9-176.7-174.261.614.900112.1E214 Q244 H245 Q385E214-Q381 VanDerWaalsContact CD-N 3.33Å; E214-Q381 PolarHBondContact OE1-N 2.83Å; E214-Q381 PolarHBondContact OE2-N 2.99Å; Q244-Q381 HydrophobicContact CB-CB 4.37Å; Q244-Q381 HydrophobicContact CB-CG 3.76Å; Q244-Q381 HydrophobicContact CG-CG 4.11Å; H245-Q381 WeakPolarHBondContact NE2-CB 3.34Å; Q381-Q385 WeakPolarHBondContact O-CB 3.4Å; Q381-Q385 WeakPolarHBondContact O-CG 2.88Å; Q381-Q385 PolarHBondContact O-N 2.94Å
382F92.4Very high93Very high1 Ų143.3 Ų43.30%0.00422%0.215CC..Hα-helixtrans-66-35.8173.973-110.8000113M211 L212 E214 M241 Y242 Q244 F340 L380 F386M211-F382 WeakPolarHBondContact O-CE1 3.44Å; L212-F382 HydrophobicContact CD2-CE2 4.35Å; L212-F382 HydrophobicContact CD2-CZ 3.79Å; E214-F382 HydrophobicContact CG-CD1 3.67Å; E214-F382 HydrophobicContact CG-CE1 3.77Å; E214-F382 WeakPolarHBondContact OE1-CD1 3.37Å; E214-F382 PolarHBondContact OE1-N 3Å; M241-F382 HydrophobicContact CB-CD2 3.78Å; M241-F382 HydrophobicContact CB-CE2 4.48Å; M241-F382 HydrophobicContact CG-CD2 4.21Å; M241-F382 HydrophobicContact SD-CD2 3.5Å; M241-F382 VanDerWaalsContact SD-CD2 3.5Å; M241-F382 HydrophobicContact SD-CE2 3.54Å; M241-F382 VanDerWaalsContact SD-CE2 3.54Å; Y242-F382 VanDerWaalsContact O-CB 3.23Å; Y242-F382 WeakPolarHBondContact O-CB 3.46Å; Q244-F382 HydrophobicContact CG-CB 4.17Å; F340-F382 HydrophobicContact CE1-CE2 4.47Å; F340-F382 AromaticContact CZ-CE2 3.91Å; F340-F382 HydrophobicContact CZ-CE2 3.91Å; F340-F382 HydrophobicContact CZ-CZ 4.25Å; L380-F382 VanDerWaalsContact C-N 3.33Å; L380-F382 HydrophobicContact CB-CD1 4.34Å; L380-F382 HydrophobicContact CB-CE1 4.15Å; L380-F382 HydrophobicContact CB-CZ 4.32Å; L380-F382 HydrophobicContact CD1-CE1 3.81Å; L380-F382 HydrophobicContact CD1-CE2 4.21Å; L380-F382 HydrophobicContact CD1-CZ 3.48Å; L380-F382 VanDerWaalsContact CD1-CZ 3.48Å; L380-F382 HydrophobicContact CG-CE1 4.46Å; L380-F382 HydrophobicContact CG-CZ 4.49Å; L380-F382 PolarHBondContact O-N 2.97Å; F382-F386 WeakPolarHBondContact O-CB 3.31Å; F382-F386 PolarHBondContact O-N 3.11Å; F382-F386 VanDerWaalsContact O-N 3.08Å
383F95.2Very high92.9Very high3 Ų340.2 Ų40.21%0.01320%0.204CC..Hα-helixtrans-72.7-43.9179178.6-113.1000110.5M241 F340 F357 F362 A377 L380 Q385 F386 I387M241-F383 HydrophobicContact CE-CD2 3.9Å; M241-F383 HydrophobicContact CE-CE2 4.38Å; M241-F383 HydrophobicContact SD-CD2 4.25Å; F340-F383 AromaticContact CD1-CD2 3.46Å; F340-F383 HydrophobicContact CD1-CD2 3.46Å; F340-F383 VanDerWaalsContact CD1-CD2 3.46Å; F340-F383 AromaticContact CD1-CE2 3.6Å; F340-F383 HydrophobicContact CD1-CE2 3.6Å; F340-F383 HydrophobicContact CD1-CG 4.29Å; F340-F383 HydrophobicContact CE1-CB 4.38Å; F340-F383 AromaticContact CE1-CD2 3.68Å; F340-F383 HydrophobicContact CE1-CD2 3.68Å; F340-F383 HydrophobicContact CE1-CE2 4.23Å; F340-F383 HydrophobicContact CE1-CG 4.09Å; F340-F383 HydrophobicContact CG-CD2 4.46Å; F357-F383 HydrophobicContact CE1-CE1 4.36Å; F357-F383 HydrophobicContact CE2-CZ 4.45Å; F357-F383 HydrophobicContact CZ-CE1 4.02Å; F357-F383 AromaticContact CZ-CZ 3.91Å; F357-F383 HydrophobicContact CZ-CZ 3.91Å; F362-F383 HydrophobicContact CD1-CE1 4.33Å; F362-F383 HydrophobicContact CD1-CZ 4.38Å; F362-F383 AromaticContact CE1-CE1 3.57Å; F362-F383 HydrophobicContact CE1-CE1 3.57Å; F362-F383 AromaticContact CE1-CZ 3.56Å; F362-F383 HydrophobicContact CE1-CZ 3.56Å; F362-F383 HydrophobicContact CE2-CE2 4.5Å; F362-F383 AromaticContact CE2-CZ 3.85Å; F362-F383 HydrophobicContact CE2-CZ 3.85Å; F362-F383 AromaticContact CZ-CE1 3.76Å; F362-F383 HydrophobicContact CZ-CE1 3.76Å; F362-F383 AromaticContact CZ-CE2 3.91Å; F362-F383 HydrophobicContact CZ-CE2 3.91Å; F362-F383 AromaticContact CZ-CZ 3.22Å; F362-F383 HydrophobicContact CZ-CZ 3.22Å; A377-F383 WeakPolarHBondContact O-CD1 3.31Å; L380-F383 HydrophobicContact CB-CB 4.16Å; L380-F383 PolarHBondContact O-N 3.18Å; L380-F383 VanDerWaalsContact O-N 3.15Å; F383-Q385 PolarHBondContact O-N 3.01Å; F383-F386 HydrophobicContact CD2-CD1 4.36Å; F383-F386 HydrophobicContact CE2-CD1 4.3Å; F383-F386 WeakPolarHBondContact O-CB 3.17Å; F383-F386 PolarHBondContact O-N 3.47Å; F383-F386 VanDerWaalsContact O-N 3.13Å; F383-I387 HydrophobicContact CD1-CG1 4.37Å; F383-I387 HydrophobicContact CD2-CG1 4.3Å; F383-I387 HydrophobicContact CE1-CD1 4.45Å; F383-I387 HydrophobicContact CE1-CG1 3.86Å; F383-I387 HydrophobicContact CE2-CD1 3.81Å; F383-I387 HydrophobicContact CE2-CG1 3.78Å; F383-I387 HydrophobicContact CZ-CD1 3.66Å; F383-I387 HydrophobicContact CZ-CG1 3.53Å; F383-I387 WeakPolarHBondContact O-CG1 3.47Å; F383-I387 PolarHBondContact O-N 3.21Å
384K94.1Very high92.7Very high110 Ų11040.8 Ų40.848%0.47821%0.206SC..Hα-helixtrans-55.5-50.8172.4179.8167.5-177.2168.10112L380 F386 I387 D388L380-K384 PolarHBondContact O-N 3.14Å; K384-F386 PolarHBondContact O-N 3.37Å; K384-I387 PolarHBondContact O-N 3.2Å; K384-I387 VanDerWaalsContact O-N 3.17Å; K384-D388 WeakPolarHBondContact O-CB 3.49Å; K384-D388 VanDerWaalsContact O-CG 3.22Å; K384-D388 PolarHBondContact O-N 3.19Å
385Q93.8Very high92.6Very high21 Ų2143.6 Ų43.610%0.09822%0.221CC..Hα-helixtrans-64.8-25.9178.4-74.7-54.5-70.900113.8Q244 Q381 F383 D388 C389Q244-Q385 HydrophobicContact CG-CB 4.24Å; Q244-Q385 HydrophobicContact CG-CG 4.07Å; Q381-Q385 WeakPolarHBondContact O-CB 3.4Å; Q381-Q385 WeakPolarHBondContact O-CG 2.88Å; Q381-Q385 PolarHBondContact O-N 2.94Å; F383-Q385 PolarHBondContact O-N 3.01Å; Q385-D388 PolarHBondContact NE2-OD2 2.69Å; Q385-C389 WeakPolarHBondContact O-CB 3.33Å; Q385-C389 PolarHBondContact O-N 3.41Å
386F94.8Very high92.5Very high11 Ų1144.6 Ų44.65%0.04822%0.224CC..Hα-helixtrans-69.2-50.5169.4167.6-95.5000111.6P240 M241 Y343 F382 F383 K384 C389 R390 F404P240-F386 HydrophobicContact CB-CD2 4.31Å; P240-F386 HydrophobicContact CB-CE2 4.05Å; P240-F386 HydrophobicContact CG-CD2 3.92Å; P240-F386 HydrophobicContact CG-CE2 3.52Å; P240-F386 HydrophobicContact CG-CZ 4.34Å; M241-F386 HydrophobicContact CE-CB 4.44Å; M241-F386 HydrophobicContact CE-CD1 3.77Å; M241-F386 HydrophobicContact CE-CD2 4.4Å; M241-F386 HydrophobicContact CE-CE1 4.11Å; M241-F386 HydrophobicContact CE-CG 3.93Å; M241-F386 HydrophobicContact CG-CB 3.99Å; M241-F386 HydrophobicContact CG-CD2 4.16Å; M241-F386 HydrophobicContact CG-CG 4.07Å; M241-F386 HydrophobicContact SD-CB 4.41Å; M241-F386 HydrophobicContact SD-CG 4.49Å; Y343-F386 HydrophobicContact CD1-CE1 4.08Å; Y343-F386 HydrophobicContact CD1-CZ 4.37Å; Y343-F386 HydrophobicContact CD2-CE1 4.04Å; Y343-F386 HydrophobicContact CE1-CE1 4.01Å; Y343-F386 AromaticContact CE1-CZ 3.86Å; Y343-F386 HydrophobicContact CE1-CZ 3.86Å; Y343-F386 AromaticContact CE2-CE1 3.95Å; Y343-F386 HydrophobicContact CE2-CE1 3.95Å; Y343-F386 HydrophobicContact CE2-CZ 4.17Å; Y343-F386 HydrophobicContact CG-CE1 4.09Å; Y343-F386 AromaticContact CZ-CE1 3.93Å; Y343-F386 AromaticContact CZ-CZ 3.74Å; F382-F386 WeakPolarHBondContact O-CB 3.31Å; F382-F386 PolarHBondContact O-N 3.11Å; F382-F386 VanDerWaalsContact O-N 3.08Å; F383-F386 HydrophobicContact CD2-CD1 4.36Å; F383-F386 HydrophobicContact CE2-CD1 4.3Å; F383-F386 WeakPolarHBondContact O-CB 3.17Å; F383-F386 PolarHBondContact O-N 3.47Å; F383-F386 VanDerWaalsContact O-N 3.13Å; K384-F386 PolarHBondContact O-N 3.37Å; F386-C389 WeakPolarHBondContact O-CB 3.49Å; F386-C389 PolarHBondContact O-N 3.17Å; F386-R390 HydrophobicContact CD1-CG 4.45Å; F386-R390 HydrophobicContact CD2-CG 4.42Å; F386-R390 HydrophobicContact CE1-CG 3.97Å; F386-R390 HydrophobicContact CE2-CG 3.93Å; F386-R390 HydrophobicContact CZ-CG 3.68Å; F386-R390 WeakPolarHBondContact O-CG 3.38Å; F386-R390 PolarHBondContact O-N 3.35Å; F386-F404 HydrophobicContact CE1-CE1 4.39Å; F386-F404 HydrophobicContact CE2-CD1 4.36Å; F386-F404 HydrophobicContact CE2-CE1 4.14Å; F386-F404 HydrophobicContact CZ-CD1 4.14Å; F386-F404 AromaticContact CZ-CE1 3.6Å; F386-F404 HydrophobicContact CZ-CE1 3.6Å; F386-F404 HydrophobicContact CZ-CZ 4.48Å
387I94.7Very high92.2Very high8 Ų845.9 Ų45.94%0.04125%0.245CC..Hα-helixtrans-61.9-49.3179.2-65.6-61.5000111.3Y343 F357 F383 K384 C389 R390 L391Y343-I387 HydrophobicContact CD2-CD1 3.53Å; Y343-I387 HydrophobicContact CE2-CD1 4.37Å; Y343-I387 HydrophobicContact CG-CD1 4.01Å; F357-I387 HydrophobicContact CB-CG2 3.67Å; F357-I387 HydrophobicContact CD1-CG2 4.03Å; F357-I387 HydrophobicContact CD2-CD1 3.97Å; F357-I387 HydrophobicContact CD2-CG2 4.04Å; F357-I387 HydrophobicContact CE2-CD1 3.79Å; F357-I387 HydrophobicContact CE2-CG1 4.37Å; F357-I387 HydrophobicContact CG-CG2 3.66Å; F357-I387 HydrophobicContact CZ-CD1 4.26Å; F357-I387 HydrophobicContact CZ-CG1 4.41Å; F383-I387 HydrophobicContact CD1-CG1 4.37Å; F383-I387 HydrophobicContact CD2-CG1 4.3Å; F383-I387 HydrophobicContact CE1-CD1 4.45Å; F383-I387 HydrophobicContact CE1-CG1 3.86Å; F383-I387 HydrophobicContact CE2-CD1 3.81Å; F383-I387 HydrophobicContact CE2-CG1 3.78Å; F383-I387 HydrophobicContact CZ-CD1 3.66Å; F383-I387 HydrophobicContact CZ-CG1 3.53Å; F383-I387 WeakPolarHBondContact O-CG1 3.47Å; F383-I387 PolarHBondContact O-N 3.21Å; K384-I387 PolarHBondContact O-N 3.2Å; K384-I387 VanDerWaalsContact O-N 3.17Å; I387-C389 PolarHBondContact O-N 2.95Å; I387-R390 PolarHBondContact O-N 3.15Å; I387-L391 HydrophobicContact CG2-CD1 4.12Å; I387-L391 HydrophobicContact CG2-CG 4.32Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.3Å
388D93.4Very high91.9Very high55 Ų5552.3 Ų52.329%0.29427%0.273SS..Hα-helixtrans-50.5-48.1175-69.2-18000109.9K384 Q385 R390 D392K384-D388 WeakPolarHBondContact O-CB 3.49Å; K384-D388 VanDerWaalsContact O-CG 3.22Å; K384-D388 PolarHBondContact O-N 3.19Å; Q385-D388 PolarHBondContact NE2-OD2 2.69Å; D388-R390 PolarHBondContact O-N 2.88Å; D388-D392 WeakPolarHBondContact O-CB 3.06Å; D388-D392 PolarHBondContact O-N 2.96Å
389C90.8Very high91.5Very high40 Ų4056.9 Ų56.927%0.2729%0.294SS..Hα-helixtrans-64.2-35.4176.4-103.80000114.7G2 Q385 F386 I387 V393G2-C389 PolarHBondContact N-SG 3.37Å; Q385-C389 WeakPolarHBondContact O-CB 3.33Å; Q385-C389 PolarHBondContact O-N 3.41Å; F386-C389 WeakPolarHBondContact O-CB 3.49Å; F386-C389 PolarHBondContact O-N 3.17Å; I387-C389 PolarHBondContact O-N 2.95Å; C389-V393 WeakPolarHBondContact O-CG2 3.38Å; C389-V393 PolarHBondContact O-N 3.49Å; C389-V393 VanDerWaalsContact O-N 3.16Å
390R92.3Very high91.2Very high25 Ų2550.5 Ų50.59%0.09426%0.264CS..Hα-helixtrans-68.6-46.5178.1-71.8-53-151-1481.7111.1Y343 F386 I387 D388 D392 V393 L394 L400 D402 E405Y343-R390 HydrophobicContact CE2-CB 4.16Å; Y343-R390 HydrophobicContact CE2-CG 3.84Å; Y343-R390 PolarHBondContact OH-NE 3.19Å; F386-R390 HydrophobicContact CD1-CG 4.45Å; F386-R390 HydrophobicContact CD2-CG 4.42Å; F386-R390 HydrophobicContact CE1-CG 3.97Å; F386-R390 HydrophobicContact CE2-CG 3.93Å; F386-R390 HydrophobicContact CZ-CG 3.68Å; F386-R390 WeakPolarHBondContact O-CG 3.38Å; F386-R390 PolarHBondContact O-N 3.35Å; I387-R390 PolarHBondContact O-N 3.15Å; D388-R390 PolarHBondContact O-N 2.88Å; R390-D392 VanDerWaalsContact C-N 3.32Å; R390-D392 PolarHBondContact O-N 3.21Å; R390-V393 PolarHBondContact O-N 3.03Å; R390-L394 WeakPolarHBondContact O-CB 3.44Å; R390-L394 VanDerWaalsContact O-CG 3.3Å; R390-L394 WeakPolarHBondContact O-CG 3.31Å; R390-L394 PolarHBondContact O-N 3.49Å; R390-L400 HydrophobicContact CG-CD1 4.44Å; R390-D402 IonicContact CZ-OD2 3.81Å; R390-D402 IonicContact NH1-OD2 3.73Å; R390-D402 PolarHBondContact NH1-OD2 3.4Å; R390-D402 IonicContact NH2-OD1 2.69Å; R390-D402 PolarHBondContact NH2-OD1 3.12Å; R390-D402 IonicContact NH2-OD2 2.87Å; R390-D402 PolarHBondContact NH2-OD2 3Å; R390-E405 IonicContact CZ-OE1 3.78Å; R390-E405 IonicContact NE-OE1 3.22Å; R390-E405 PolarHBondContact NE-OE1 3.36Å; R390-E405 IonicContact NH2-OE1 2.73Å; R390-E405 PolarHBondContact NH2-OE1 2.92Å
391L92.7Very high90.5Very high30 Ų3055.3 Ų55.316%0.15729%0.29CS..Hα-helixtrans-59.1-45.2173.9-60.2178.7000110.9L347 I355 F357 I387 V393 L394 N395L347-L391 HydrophobicContact CD2-CD2 3.61Å; I355-L391 HydrophobicContact CG2-CD2 4.03Å; F357-L391 HydrophobicContact CB-CD1 4.15Å; F357-L391 HydrophobicContact CB-CD2 4.48Å; I387-L391 HydrophobicContact CG2-CD1 4.12Å; I387-L391 HydrophobicContact CG2-CG 4.32Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.3Å; L391-V393 PolarHBondContact O-N 3.15Å; L391-L394 PolarHBondContact O-N 3.11Å; L391-N395 WeakPolarHBondContact O-CB 3.2Å; L391-N395 PolarHBondContact O-N 3.09Å
392D91.6Very high90.2Very high83 Ų8353.4 Ų53.444%0.44428%0.283SS..Hα-helixtrans-64.9-22.9-178.5-163.857.3000113.5D388 R390 K396D388-D392 WeakPolarHBondContact O-CB 3.06Å; D388-D392 PolarHBondContact O-N 2.96Å; R390-D392 VanDerWaalsContact C-N 3.32Å; R390-D392 PolarHBondContact O-N 3.21Å; D392-K396 WeakPolarHBondContact O-CD 3.31Å; D392-K396 VanDerWaalsContact O-CG 3.26Å; D392-K396 WeakPolarHBondContact O-CG 3.25Å; D392-K396 PolarHBondContact O-NZ 2.9Å; D392-K396 IonicContact OD1-NZ 3.84Å; D392-K396 PolarHBondContact OD1-NZ 3.01Å; D392-K396 IonicContact OD2-NZ 2.72Å; D392-K396 PolarHBondContact OD2-NZ 3.23Å
393V90.1Very high90.1Very high50 Ų5055.7 Ų55.730%0.30329%0.294SS..Hα-helixtrans-87.7-44.1171.9173.80000111.7C389 R390 L391 K396 K398 L400C389-V393 WeakPolarHBondContact O-CG2 3.38Å; C389-V393 PolarHBondContact O-N 3.49Å; C389-V393 VanDerWaalsContact O-N 3.16Å; R390-V393 PolarHBondContact O-N 3.03Å; L391-V393 PolarHBondContact O-N 3.15Å; V393-K396 PolarHBondContact O-N 3.34Å; V393-K398 HydrophobicContact CG1-CB 3.71Å; V393-K398 PolarHBondContact O-N 2.95Å; V393-L400 HydrophobicContact CB-CD2 3.97Å; V393-L400 HydrophobicContact CG1-CD2 3.7Å
394L90.4Very high90Very high12 Ų1255.5 Ų55.56%0.06329%0.294CS..Hα-helixtrans-63.2-45.3-179.3-74169.8000112.4L347 I355 R390 L391 K396 G397 L400L347-L394 HydrophobicContact CD1-CD1 3.82Å; I355-L394 HydrophobicContact CD1-CB 4.05Å; I355-L394 HydrophobicContact CG2-CD1 4.43Å; R390-L394 WeakPolarHBondContact O-CB 3.44Å; R390-L394 VanDerWaalsContact O-CG 3.3Å; R390-L394 WeakPolarHBondContact O-CG 3.31Å; R390-L394 PolarHBondContact O-N 3.49Å; L391-L394 PolarHBondContact O-N 3.11Å; L394-K396 PolarHBondContact O-N 3.19Å; L394-G397 WeakPolarHBondContact O-CA 3.4Å; L394-G397 PolarHBondContact O-N 2.86Å; L394-L400 HydrophobicContact CD1-CD1 4.07Å; L394-L400 HydrophobicContact CD2-CD1 4.09Å; L394-L400 HydrophobicContact CD2-CD2 4.47Å; L394-L400 HydrophobicContact CD2-CG 3.93Å; L394-L400 HydrophobicContact CG-CD1 4.09Å; L394-L400 HydrophobicContact CG-CD2 4.29Å; L394-L400 HydrophobicContact CG-CG 4.16Å
395N91.1Very high89.9Confident66 Ų6650.7 Ų50.735%0.35327%0.273SS..THydrogen-bonded Turntrans-71.7-14.1179.4-63.4-9.1000112.5I355 L391 G397I355-N395 WeakPolarHBondContact CA-OD1 3.47Å; I355-N395 VanDerWaalsContact CB-OD1 3.3Å; I355-N395 WeakPolarHBondContact CB-OD1 3.45Å; I355-N395 PolarHBondContact N-OD1 3.28Å; I355-N395 PolarHBondContact O-ND2 2.9Å; I355-N395 PolarHBondContact O-OD1 3.19Å; L391-N395 WeakPolarHBondContact O-CB 3.2Å; L391-N395 PolarHBondContact O-N 3.09Å; N395-G397 PolarHBondContact O-N 3.23Å
396K90Very high89.8Confident120 Ų12054 Ų5452%0.52229%0.288SS..THydrogen-bonded Turntrans-85.111.7166.5-66.7-176.9-173.578.90112.9D392 V393 L394 K398D392-K396 WeakPolarHBondContact O-CD 3.31Å; D392-K396 VanDerWaalsContact O-CG 3.26Å; D392-K396 WeakPolarHBondContact O-CG 3.25Å; D392-K396 PolarHBondContact O-NZ 2.9Å; D392-K396 IonicContact OD1-NZ 3.84Å; D392-K396 PolarHBondContact OD1-NZ 3.01Å; D392-K396 IonicContact OD2-NZ 2.72Å; D392-K396 PolarHBondContact OD2-NZ 3.23Å; V393-K396 PolarHBondContact O-N 3.34Å; L394-K396 PolarHBondContact O-N 3.19Å; K396-K398 PolarHBondContact O-N 3.42Å
397G84.8Confident89.7Confident73 Ų7354.1 Ų54.175%0.75329%0.289SS*.THydrogen-bonded Turntrans68.817.6178.200000114.5L394 N395L394-G397 WeakPolarHBondContact O-CA 3.4Å; L394-G397 PolarHBondContact O-N 2.86Å; N395-G397 PolarHBondContact O-N 3.23Å
398K86.2Confident89.6Confident136 Ų13654 Ų5459%0.59129%0.289SS*.  trans-99.6140.8-178.2-68.1-178.4179.8-177.20111V393 K396V393-K398 HydrophobicContact CG1-CB 3.71Å; V393-K398 PolarHBondContact O-N 2.95Å; K396-K398 PolarHBondContact O-N 3.42Å
399E82.6Confident89.4Confident114 Ų11453.4 Ų53.453%0.53329%0.287SS..  trans-75.6150173.7-67.9-178.9-123.700111.9D401 K429E399-D401 PolarHBondContact O-N 3.25Å; E399-K429 VanDerWaalsContact CD-NZ 3.29Å; E399-K429 WeakPolarHBondContact OE1-CE 3.43Å; E399-K429 IonicContact OE1-NZ 3.27Å; E399-K429 PolarHBondContact OE1-NZ 3.26Å; E399-K429 WeakPolarHBondContact OE2-CE 3.43Å; E399-K429 IonicContact OE2-NZ 3.53Å; E399-K429 PolarHBondContact OE2-NZ 2.94Å
400L85.6Confident89.3Confident17 Ų1754.6 Ų54.69%0.08929%0.287CS..  trans-86.198.6174-55178.1000109.1R390 V393 L394 E405R390-L400 HydrophobicContact CG-CD1 4.44Å; V393-L400 HydrophobicContact CB-CD2 3.97Å; V393-L400 HydrophobicContact CG1-CD2 3.7Å; L394-L400 HydrophobicContact CD1-CD1 4.07Å; L394-L400 HydrophobicContact CD2-CD1 4.09Å; L394-L400 HydrophobicContact CD2-CD2 4.47Å; L394-L400 HydrophobicContact CD2-CG 3.93Å; L394-L400 HydrophobicContact CG-CD1 4.09Å; L394-L400 HydrophobicContact CG-CD2 4.29Å; L394-L400 HydrophobicContact CG-CG 4.16Å; L400-E405 HydrophobicContact CB-CG 3.76Å
401D79.5Confident88.8Confident114 Ų11453.9 Ų53.961%0.6129%0.286SS*.  trans-114.185-178.6175.460.3000111.2K181 E399K181-D401 PolarHBondContact NZ-O 3.35Å; K181-D401 IonicContact NZ-OD2 2.65Å; K181-D401 PolarHBondContact NZ-OD2 2.82Å; E399-D401 PolarHBondContact O-N 3.25Å
402D88.1Confident88Confident33 Ų3353.9 Ų53.918%0.17629%0.285CS..SBendtrans-150.5170.8172.466.849.2000113.1R390 F404 E405 E406R390-D402 IonicContact CZ-OD2 3.81Å; R390-D402 IonicContact NH1-OD2 3.73Å; R390-D402 PolarHBondContact NH1-OD2 3.4Å; R390-D402 IonicContact NH2-OD1 2.69Å; R390-D402 PolarHBondContact NH2-OD1 3.12Å; R390-D402 IonicContact NH2-OD2 2.87Å; R390-D402 PolarHBondContact NH2-OD2 3Å; D402-F404 PolarHBondContact O-N 3.33Å; D402-F404 WeakPolarHBondContact OD1-CB 3.4Å; D402-F404 PolarHBondContact OD1-N 3.29Å; D402-E405 PolarHBondContact O-N 3.33Å; D402-E405 VanDerWaalsContact O-N 3.17Å; D402-E405 PolarHBondContact OD1-N 3.37Å; D402-E405 VanDerWaalsContact OD1-N 3.11Å; D402-E406 PolarHBondContact O-N 3.19Å; D402-E406 VanDerWaalsContact O-N 3.11Å
403L90.8Very high86.7Confident48 Ų4855.2 Ų55.225%0.25130%0.296SS..Hα-helixtrans-66.8-22.3-172.1-58.5177.9000113.2K181 L183 Y239 L333 E407K181-L403 WeakPolarHBondContact O-CD1 3.31Å; L183-L403 HydrophobicContact CD1-CD1 4.25Å; L183-L403 HydrophobicContact CD2-CD1 4.35Å; L183-L403 HydrophobicContact CG-CD1 3.72Å; Y239-L403 HydrophobicContact CE1-CB 4.47Å; L333-L403 HydrophobicContact CD2-CB 4.09Å; L403-E407 WeakPolarHBondContact O-CB 3.38Å; L403-E407 PolarHBondContact O-N 3.2Å
404F93.4Very high85.3Confident0 Ų058.1 Ų58.10%032%0.315CS..Hα-helixtrans-73.9-43.2174.1179.4-107.5000111P240 L333 Q336 A337 F340 Y343 F386 D402 E406 E407 I408P240-F404 HydrophobicContact CB-CB 4.19Å; P240-F404 HydrophobicContact CB-CG 4.35Å; P240-F404 HydrophobicContact CG-CB 3.88Å; P240-F404 HydrophobicContact CG-CD1 3.63Å; P240-F404 HydrophobicContact CG-CD2 3.78Å; P240-F404 HydrophobicContact CG-CE1 3.93Å; P240-F404 HydrophobicContact CG-CE2 4.07Å; P240-F404 HydrophobicContact CG-CG 3.52Å; P240-F404 HydrophobicContact CG-CZ 4.14Å; L333-F404 HydrophobicContact CD1-CB 3.94Å; L333-F404 HydrophobicContact CD1-CD2 3.96Å; L333-F404 HydrophobicContact CD1-CG 4.47Å; Q336-F404 HydrophobicContact CB-CD2 4.43Å; Q336-F404 HydrophobicContact CB-CE2 3.88Å; A337-F404 HydrophobicContact CB-CD2 4.32Å; A337-F404 HydrophobicContact CB-CE2 4.15Å; F340-F404 HydrophobicContact CB-CZ 4.27Å; Y343-F404 HydrophobicContact CD1-CE1 4.41Å; Y343-F404 AromaticContact CE1-CE1 3.87Å; Y343-F404 HydrophobicContact CE1-CE1 3.87Å; F386-F404 HydrophobicContact CE1-CE1 4.39Å; F386-F404 HydrophobicContact CE2-CD1 4.36Å; F386-F404 HydrophobicContact CE2-CE1 4.14Å; F386-F404 HydrophobicContact CZ-CD1 4.14Å; F386-F404 AromaticContact CZ-CE1 3.6Å; F386-F404 HydrophobicContact CZ-CE1 3.6Å; F386-F404 HydrophobicContact CZ-CZ 4.48Å; D402-F404 PolarHBondContact O-N 3.33Å; D402-F404 WeakPolarHBondContact OD1-CB 3.4Å; D402-F404 PolarHBondContact OD1-N 3.29Å; F404-E406 VanDerWaalsContact C-N 3.28Å; F404-E406 PolarHBondContact O-N 3.07Å; F404-E407 PolarHBondContact O-N 2.69Å; F404-E407 VanDerWaalsContact O-N 3.12Å; F404-I408 HydrophobicContact CD1-CD1 3.62Å; F404-I408 HydrophobicContact CD1-CG1 4.4Å; F404-I408 HydrophobicContact CE1-CD1 3.39Å; F404-I408 HydrophobicContact CE1-CG1 4.29Å; F404-I408 HydrophobicContact CE2-CD1 4.45Å; F404-I408 HydrophobicContact CG-CD1 4.28Å; F404-I408 HydrophobicContact CZ-CD1 3.86Å; F404-I408 HydrophobicContact CZ-CG1 4.35Å; F404-I408 WeakPolarHBondContact O-CG1 3.1Å; F404-I408 PolarHBondContact O-N 2.93Å
405E92.3Very high83.5Confident8 Ų861.3 Ų61.34%0.03734%0.342CS..Hα-helixtrans-63.7-33.6173.5-61.8-51.613000112.5Y343 R344 R390 L400 D402 T409Y343-E405 VanDerWaalsContact OH-CD 3.3Å; Y343-E405 PolarHBondContact OH-OE1 3.29Å; Y343-E405 PolarHBondContact OH-OE2 3.42Å; R344-E405 IonicContact CZ-OE2 3.41Å; R344-E405 IonicContact NE-OE2 2.88Å; R344-E405 PolarHBondContact NE-OE2 3.4Å; R344-E405 PolarHBondContact NH2-O 3.45Å; R344-E405 IonicContact NH2-OE2 3.43Å; R344-E405 PolarHBondContact NH2-OE2 3.43Å; R390-E405 IonicContact CZ-OE1 3.78Å; R390-E405 IonicContact NE-OE1 3.22Å; R390-E405 PolarHBondContact NE-OE1 3.36Å; R390-E405 IonicContact NH2-OE1 2.73Å; R390-E405 PolarHBondContact NH2-OE1 2.92Å; L400-E405 HydrophobicContact CB-CG 3.76Å; D402-E405 PolarHBondContact O-N 3.33Å; D402-E405 VanDerWaalsContact O-N 3.17Å; D402-E405 PolarHBondContact OD1-N 3.37Å; D402-E405 VanDerWaalsContact OD1-N 3.11Å; E405-T409 PolarHBondContact O-N 2.96Å; E405-T409 PolarHBondContact O-OG1 2.98Å
406E91.4Very high81.4Confident90 Ų9061.5 Ų61.542%0.42136%0.361SS..Hα-helixtrans-64.8-48168.3-65.6-171.7-159.300112.5D402 F404 T409 K410D402-E406 PolarHBondContact O-N 3.19Å; D402-E406 VanDerWaalsContact O-N 3.11Å; F404-E406 VanDerWaalsContact C-N 3.28Å; F404-E406 PolarHBondContact O-N 3.07Å; E406-T409 WeakPolarHBondContact O-CB 3.38Å; E406-T409 PolarHBondContact O-N 3.25Å; E406-T409 VanDerWaalsContact O-N 3.13Å; E406-K410 VanDerWaalsContact CB-NZ 3.29Å; E406-K410 WeakPolarHBondContact O-CG 3.45Å; E406-K410 PolarHBondContact O-N 2.99Å; E406-K410 WeakPolarHBondContact OE2-CE 3.34Å; E406-K410 IonicContact OE2-NZ 2.93Å; E406-K410 PolarHBondContact OE2-NZ 2.89Å
407E92.6Very high79.3Confident15 Ų1561.5 Ų61.57%0.0736%0.357CS..Hα-helixtrans-71.9-32.3-172.5-155.669.7-162.300112.4R330 L333 K334 A337 L403 F404 T409 K410 C411R330-E407 IonicContact CZ-OE1 3.02Å; R330-E407 IonicContact CZ-OE2 3.56Å; R330-E407 VanDerWaalsContact CZ-OE2 3.27Å; R330-E407 IonicContact NE-OE1 3.01Å; R330-E407 PolarHBondContact NE-OE1 3.11Å; R330-E407 IonicContact NE-OE2 2.68Å; R330-E407 PolarHBondContact NE-OE2 2.88Å; R330-E407 IonicContact NH2-OE1 2.7Å; R330-E407 IonicContact NH2-OE2 2.72Å; R330-E407 PolarHBondContact NH2-OE2 2.9Å; L333-E407 HydrophobicContact CD2-CB 4.06Å; L333-E407 HydrophobicContact CD2-CG 4.34Å; L333-E407 HydrophobicContact CG-CB 4.09Å; L333-E407 HydrophobicContact CG-CG 4.27Å; K334-E407 HydrophobicContact CB-CG 4.29Å; A337-E407 HydrophobicContact CB-CB 4.44Å; L403-E407 WeakPolarHBondContact O-CB 3.38Å; L403-E407 PolarHBondContact O-N 3.2Å; F404-E407 PolarHBondContact O-N 2.69Å; F404-E407 VanDerWaalsContact O-N 3.12Å; E407-T409 VanDerWaalsContact C-N 3.33Å; E407-K410 PolarHBondContact O-N 3.2Å; E407-K410 VanDerWaalsContact OE2-CD 3.26Å; E407-K410 WeakPolarHBondContact OE2-CD 3.45Å; E407-K410 IonicContact OE2-NZ 2.81Å; E407-K410 PolarHBondContact OE2-NZ 3.12Å; E407-C411 PolarHBondContact O-N 2.99Å; E407-C411 PolarHBondContact O-SG 3.39Å
408I91.6Very high77.4Confident6 Ų661 Ų613%0.03135%0.353CS..Hα-helixtrans-58.1-48166-64.1164000109.8A337 Y343 F404 K410 C411 E412A337-I408 HydrophobicContact CB-CG1 3.86Å; Y343-I408 HydrophobicContact CD1-CD1 4.44Å; Y343-I408 HydrophobicContact CE1-CD1 3.87Å; F404-I408 HydrophobicContact CD1-CD1 3.62Å; F404-I408 HydrophobicContact CD1-CG1 4.4Å; F404-I408 HydrophobicContact CE1-CD1 3.39Å; F404-I408 HydrophobicContact CE1-CG1 4.29Å; F404-I408 HydrophobicContact CE2-CD1 4.45Å; F404-I408 HydrophobicContact CG-CD1 4.28Å; F404-I408 HydrophobicContact CZ-CD1 3.86Å; F404-I408 HydrophobicContact CZ-CG1 4.35Å; F404-I408 WeakPolarHBondContact O-CG1 3.1Å; F404-I408 PolarHBondContact O-N 2.93Å; I408-K410 VanDerWaalsContact C-N 3.28Å; I408-K410 PolarHBondContact O-N 2.94Å; I408-C411 CarbonylContact O-C 3.57Å; I408-C411 WeakPolarHBondContact O-CA 3.39Å; I408-C411 WeakPolarHBondContact O-CB 3.5Å; I408-C411 PolarHBondContact O-N 3.36Å; I408-E412 HydrophobicContact CG2-CG 4.28Å; I408-E412 WeakPolarHBondContact CG2-OE1 3.21Å; I408-E412 PolarHBondContact O-N 2.69Å
409T89.9Confident75.7Confident41 Ų4161.6 Ų61.625%0.25236%0.355SS..Hα-helixtrans-62.1-36.7-178.7-50.50000111.7R344 E405 E406 E407 E412 T413R344-T409 PolarHBondContact NH1-OG1 2.89Å; R344-T409 PolarHBondContact NH2-OG1 3.2Å; E405-T409 PolarHBondContact O-N 2.96Å; E405-T409 PolarHBondContact O-OG1 2.98Å; E406-T409 WeakPolarHBondContact O-CB 3.38Å; E406-T409 PolarHBondContact O-N 3.25Å; E406-T409 VanDerWaalsContact O-N 3.13Å; E407-T409 VanDerWaalsContact C-N 3.33Å; T409-E412 PolarHBondContact O-N 3.42Å; T409-T413 WeakPolarHBondContact O-CG2 3.44Å; T409-T413 PolarHBondContact O-N 2.79Å; T409-T413 VanDerWaalsContact O-N 3.08Å; T409-T413 PolarHBondContact O-OG1 2.73Å
410K87.9Confident74.2Confident65 Ų6559.5 Ų59.528%0.28335%0.353SS..Hα-helixtrans-66.6-38.2172.9-63.5161.1-156.7150.30111.6E406 E407 I408 T413 T414E406-K410 VanDerWaalsContact CB-NZ 3.29Å; E406-K410 WeakPolarHBondContact O-CG 3.45Å; E406-K410 PolarHBondContact O-N 2.99Å; E406-K410 WeakPolarHBondContact OE2-CE 3.34Å; E406-K410 IonicContact OE2-NZ 2.93Å; E406-K410 PolarHBondContact OE2-NZ 2.89Å; E407-K410 PolarHBondContact O-N 3.2Å; E407-K410 VanDerWaalsContact OE2-CD 3.26Å; E407-K410 WeakPolarHBondContact OE2-CD 3.45Å; E407-K410 IonicContact OE2-NZ 2.81Å; E407-K410 PolarHBondContact OE2-NZ 3.12Å; I408-K410 VanDerWaalsContact C-N 3.28Å; I408-K410 PolarHBondContact O-N 2.94Å; K410-T413 PolarHBondContact O-OG1 2.87Å; K410-T414 PolarHBondContact O-N 3.11Å; K410-T414 PolarHBondContact O-OG1 3.35Å
411C82.2Confident72.5Confident11 Ų1160 Ų607%0.07435%0.354CS..Hα-helixtrans-67-43.9173.3-64.70000112.3L338 E407 I408 T413 T414 A415L338-C411 HydrophobicContact CD2-CB 4.21Å; E407-C411 PolarHBondContact O-N 2.99Å; E407-C411 PolarHBondContact O-SG 3.39Å; I408-C411 CarbonylContact O-C 3.57Å; I408-C411 WeakPolarHBondContact O-CA 3.39Å; I408-C411 WeakPolarHBondContact O-CB 3.5Å; I408-C411 PolarHBondContact O-N 3.36Å; C411-T413 VanDerWaalsContact C-N 3.34Å; C411-T413 PolarHBondContact O-N 2.71Å; C411-T414 WeakPolarHBondContact CA-OG1 3.43Å; C411-T414 PolarHBondContact O-N 2.81Å; C411-T414 VanDerWaalsContact O-N 3.16Å; C411-T414 PolarHBondContact O-OG1 3.17Å; C411-A415 VanDerWaalsContact O-CB 3.3Å; C411-A415 WeakPolarHBondContact O-CB 3.44Å; C411-A415 PolarHBondContact O-N 3.11Å
412E75.4Confident71.5Confident30 Ų3059.5 Ų59.514%0.1435%0.348CS..Hα-helixtrans-54.2-49.1173.3-72.7173.2-146.600111.2R344 I408 T409 T414 A415 G416 R417R344-E412 IonicContact CZ-OE1 3.28Å; R344-E412 IonicContact NH1-OE1 3.59Å; R344-E412 PolarHBondContact NH1-OE1 2.82Å; I408-E412 HydrophobicContact CG2-CG 4.28Å; I408-E412 WeakPolarHBondContact CG2-OE1 3.21Å; I408-E412 PolarHBondContact O-N 2.69Å; T409-E412 PolarHBondContact O-N 3.42Å; E412-T414 VanDerWaalsContact C-N 3.25Å; E412-T414 PolarHBondContact O-N 3Å; E412-A415 PolarHBondContact O-N 2.99Å; E412-G416 PolarHBondContact O-N 2.91Å; E412-R417 PolarHBondContact O-N 3.02Å
413T65.2Low69.8Low110 Ų11064.6 Ų64.668%0.67537%0.371SS*.Hα-helixtrans-67.8-20.1-179.355.50000114.7T409 K410 C411T409-T413 WeakPolarHBondContact O-CG2 3.44Å; T409-T413 PolarHBondContact O-N 2.79Å; T409-T413 VanDerWaalsContact O-N 3.08Å; T409-T413 PolarHBondContact O-OG1 2.73Å; K410-T413 PolarHBondContact O-OG1 2.87Å; C411-T413 VanDerWaalsContact C-N 3.34Å; C411-T413 PolarHBondContact O-N 2.71Å
414T59.5Low68Low112 Ų11264.7 Ų64.769%0.68737%0.371SS*.Hα-helixtrans-97.9-21.9176.744.70000113.2K410 C411 E412K410-T414 PolarHBondContact O-N 3.11Å; K410-T414 PolarHBondContact O-OG1 3.35Å; C411-T414 WeakPolarHBondContact CA-OG1 3.43Å; C411-T414 PolarHBondContact O-N 2.81Å; C411-T414 VanDerWaalsContact O-N 3.16Å; C411-T414 PolarHBondContact O-OG1 3.17Å; E412-T414 VanDerWaalsContact C-N 3.25Å; E412-T414 PolarHBondContact O-N 3Å
415A53.8Low66.1Low78 Ų7865.6 Ų65.665%0.64538%0.377SS*.Hα-helixtrans-101.4-2.7177.700000114.4C411 E412 R417C411-A415 VanDerWaalsContact O-CB 3.3Å; C411-A415 WeakPolarHBondContact O-CB 3.44Å; C411-A415 PolarHBondContact O-N 3.11Å; E412-A415 PolarHBondContact O-N 2.99Å; A415-R417 VanDerWaalsContact C-N 3.33Å; A415-R417 PolarHBondContact O-N 3.03Å
416G46.3Very low64.1Low71 Ų7166.2 Ų66.273%0.73239%0.385SS*.THydrogen-bonded Turntrans74.112.1175.400000115.9E412E412-G416 PolarHBondContact O-N 2.91Å
417R46Very low62.2Low119 Ų11966.4 Ų66.445%0.44939%0.389SS..  trans-69.5143.2170.4-85.6-163.2-177.4-137.54.3110.5D345 H365 E412 A415D345-R417 IonicContact OD2-CZ 3.23Å; D345-R417 IonicContact OD2-NH1 3.94Å; D345-R417 PolarHBondContact OD2-NH1 3Å; H365-R417 PolarHBondContact CD2-NH2 3.07Å; H365-R417 VanDerWaalsContact CD2-NH2 3.33Å; H365-R417 PolarHBondContact NE2-NH2 3.05Å; E412-R417 PolarHBondContact O-N 3.02Å; A415-R417 VanDerWaalsContact C-N 3.33Å; A415-R417 PolarHBondContact O-N 3.03Å
418G44.6Very low60.2Low64 Ų6470 Ų7066%0.6641%0.408SS*.  trans-110.1103.4-165.400000116S420G418-S420 VanDerWaalsContact C-N 3.27Å; G418-S420 PolarHBondContact O-N 2.92Å
419K50.9Low58.2Low147 Ų14775.9 Ų75.964%0.63943%0.434SS*.  trans53.93.4137.6-62.9-171.6175.9-178.40121.3Y421 Q422 Q423K419-Y421 PolarHBondContact O-N 2.65Å; K419-Q422 PolarHBondContact O-N 3.23Å; K419-Q423 PolarHBondContact O-N 3.37Å
420S51.5Low56.5Low71 Ų7181.1 Ų81.150%0.49745%0.453SS..Hα-helixtrans-53.9-53.8-178.6-172.20000112.5G418 Q422 Q423 L424G418-S420 VanDerWaalsContact C-N 3.27Å; G418-S420 PolarHBondContact O-N 2.92Å; S420-Q422 VanDerWaalsContact C-N 3.33Å; S420-Q422 PolarHBondContact O-N 2.94Å; S420-Q423 WeakPolarHBondContact O-CB 3.43Å; S420-Q423 PolarHBondContact O-N 3.3Å; S420-L424 PolarHBondContact O-N 3.26Å
421Y50.6Low54.2Low28 Ų2880.8 Ų80.811%0.1147%0.468CS..Hα-helixtrans-60.7-36.4-179.6-177.4-112000113.6R344 K419 Q423 L424 V425R344-Y421 HydrophobicContact CG-CG 4.47Å; K419-Y421 PolarHBondContact O-N 2.65Å; Y421-Q423 PolarHBondContact O-N 2.87Å; Y421-L424 PolarHBondContact O-N 2.78Å; Y421-V425 HydrophobicContact CD1-CG2 4.18Å; Y421-V425 HydrophobicContact CD2-CG2 4.14Å; Y421-V425 HydrophobicContact CE1-CG2 3.75Å; Y421-V425 HydrophobicContact CE2-CG2 3.68Å; Y421-V425 HydrophobicContact CG-CG2 4.36Å; Y421-V425 VanDerWaalsContact CZ-CG2 3.47Å; Y421-V425 WeakPolarHBondContact O-CG2 3.28Å; Y421-V425 PolarHBondContact O-N 3.4Å
422Q56.9Low52.1Low103 Ų10384.5 Ų84.548%0.48151%0.508SS..Hα-helixtrans-62.9-31.2176.3-67.5-173.9-9.300112.4K419 S420 G426K419-Q422 PolarHBondContact O-N 3.23Å; S420-Q422 VanDerWaalsContact C-N 3.33Å; S420-Q422 PolarHBondContact O-N 2.94Å; Q422-G426 WeakPolarHBondContact O-CA 3.39Å; Q422-G426 PolarHBondContact O-N 3.33Å
423Q53.9Low50.5Low140 Ų14086.5 Ų86.565%0.65454%0.537SS*.Hα-helixtrans-78-35.9176.4-169.4167-17.300111.7K419 S420 Y421 G426 N427K419-Q423 PolarHBondContact O-N 3.37Å; S420-Q423 WeakPolarHBondContact O-CB 3.43Å; S420-Q423 PolarHBondContact O-N 3.3Å; Y421-Q423 PolarHBondContact O-N 2.87Å; Q423-G426 CarbonylContact O-C 3.58Å; Q423-G426 PolarHBondContact O-N 2.99Å; Q423-N427 PolarHBondContact O-N 3Å; Q423-N427 PolarHBondContact O-ND2 3.36Å; Q423-N427 PolarHBondContact O-OD1 3.01Å
424L51.6Low49Very low50 Ų5085.4 Ų85.426%0.26254%0.538SS..Hα-helixtrans-65.4-53.3174.2-165.1160.4000111.2I355 S420 Y421 G426 N427 L428I355-L424 HydrophobicContact CD1-CD2 4.27Å; S420-L424 PolarHBondContact O-N 3.26Å; Y421-L424 PolarHBondContact O-N 2.78Å; L424-G426 VanDerWaalsContact C-N 3.27Å; L424-G426 PolarHBondContact O-N 3.22Å; L424-N427 WeakPolarHBondContact O-CB 2.98Å; L424-N427 PolarHBondContact O-N 2.93Å; L424-L428 HydrophobicContact CD2-CD1 3.74Å; L424-L428 HydrophobicContact CD2-CG 4.16Å; L424-L428 PolarHBondContact O-N 3.47Å
425V54.8Low48.1Very low19 Ų1988 Ų8812%0.11555%0.547CS..Hα-helixtrans-61.5-37.1174.1177.40000111.2Y421 N427 L428 K429Y421-V425 HydrophobicContact CD1-CG2 4.18Å; Y421-V425 HydrophobicContact CD2-CG2 4.14Å; Y421-V425 HydrophobicContact CE1-CG2 3.75Å; Y421-V425 HydrophobicContact CE2-CG2 3.68Å; Y421-V425 HydrophobicContact CG-CG2 4.36Å; Y421-V425 VanDerWaalsContact CZ-CG2 3.47Å; Y421-V425 WeakPolarHBondContact O-CG2 3.28Å; Y421-V425 PolarHBondContact O-N 3.4Å; V425-N427 PolarHBondContact O-N 3.49Å; V425-L428 PolarHBondContact O-N 3.18Å; V425-K429 HydrophobicContact CG1-CD 4.22Å; V425-K429 HydrophobicContact CG1-CG 4.49Å; V425-K429 WeakPolarHBondContact O-CB 2.79Å; V425-K429 WeakPolarHBondContact O-CG 3.41Å; V425-K429 PolarHBondContact O-N 3.44Å
426G50.5Low47.4Very low20 Ų2091.8 Ų91.821%0.20656%0.555CS.*Hα-helixtrans-66-15.9173.900000115Q422 Q423 L424 K430Q422-G426 WeakPolarHBondContact O-CA 3.39Å; Q422-G426 PolarHBondContact O-N 3.33Å; Q423-G426 CarbonylContact O-C 3.58Å; Q423-G426 PolarHBondContact O-N 2.99Å; L424-G426 VanDerWaalsContact C-N 3.27Å; L424-G426 PolarHBondContact O-N 3.22Å; G426-K430 VanDerWaalsContact O-CD 3.23Å; G426-K430 WeakPolarHBondContact O-CD 3.24Å; G426-K430 WeakPolarHBondContact O-CE 3.4Å; G426-K430 WeakPolarHBondContact O-CG 3.48Å; G426-K430 PolarHBondContact O-NZ 2.95Å
427N51.3Low46.7Very low95 Ų9594.9 Ų94.951%0.50855%0.554SS.*Hα-helixtrans-92.4-41.7171-69.3-19.3000111.2Q423 L424 V425 K429 K430 G431Q423-N427 PolarHBondContact O-N 3Å; Q423-N427 PolarHBondContact O-ND2 3.36Å; Q423-N427 PolarHBondContact O-OD1 3.01Å; L424-N427 WeakPolarHBondContact O-CB 2.98Å; L424-N427 PolarHBondContact O-N 2.93Å; V425-N427 PolarHBondContact O-N 3.49Å; N427-K429 VanDerWaalsContact C-N 3.29Å; N427-K429 PolarHBondContact O-N 3.24Å; N427-K430 CarbonylContact O-C 3.56Å; N427-K430 WeakPolarHBondContact O-CA 3.42Å; N427-K430 PolarHBondContact O-N 2.86Å; N427-G431 PolarHBondContact O-N 2.97Å
428L49Very low46.1Very low90 Ų9096.8 Ų96.847%0.47157%0.573SS.*Hα-helixtrans-55.6-44.6172.3-67.9173.9000111.3I355 L424 V425 K430 G431I355-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD2-CD1 3.74Å; L424-L428 HydrophobicContact CD2-CG 4.16Å; L424-L428 PolarHBondContact O-N 3.47Å; V425-L428 PolarHBondContact O-N 3.18Å; L428-K430 PolarHBondContact O-N 2.85Å; L428-G431 PolarHBondContact O-N 2.99Å
429K50.7Low45.5Very low130 Ų130101.4 Ų101.457%0.56558%0.579SS**THydrogen-bonded Turntrans-59.8-12.3173.3-76.2-179.8174.9177.60115.3E399 V425 N427E399-K429 VanDerWaalsContact CD-NZ 3.29Å; E399-K429 WeakPolarHBondContact OE1-CE 3.43Å; E399-K429 IonicContact OE1-NZ 3.27Å; E399-K429 PolarHBondContact OE1-NZ 3.26Å; E399-K429 WeakPolarHBondContact OE2-CE 3.43Å; E399-K429 IonicContact OE2-NZ 3.53Å; E399-K429 PolarHBondContact OE2-NZ 2.94Å; V425-K429 HydrophobicContact CG1-CD 4.22Å; V425-K429 HydrophobicContact CG1-CG 4.49Å; V425-K429 WeakPolarHBondContact O-CB 2.79Å; V425-K429 WeakPolarHBondContact O-CG 3.41Å; V425-K429 PolarHBondContact O-N 3.44Å; N427-K429 VanDerWaalsContact C-N 3.29Å; N427-K429 PolarHBondContact O-N 3.24Å
430K53.6Low44.6Very low151 Ų151104 Ų10466%0.65759%0.591SS**THydrogen-bonded Turntrans-112-6.9176.8-63.3171-169155.60112.8G426 N427 L428 G432G426-K430 VanDerWaalsContact O-CD 3.23Å; G426-K430 WeakPolarHBondContact O-CD 3.24Å; G426-K430 WeakPolarHBondContact O-CE 3.4Å; G426-K430 WeakPolarHBondContact O-CG 3.48Å; G426-K430 PolarHBondContact O-NZ 2.95Å; N427-K430 CarbonylContact O-C 3.56Å; N427-K430 WeakPolarHBondContact O-CA 3.42Å; N427-K430 PolarHBondContact O-N 2.86Å; L428-K430 PolarHBondContact O-N 2.85Å; K430-G432 VanDerWaalsContact C-N 3.28Å; K430-G432 PolarHBondContact O-N 3.48Å
431G40.9Very low43.6Very low58 Ų58107.4 Ų107.460%0.59861%0.609SS**G310 helixtrans-70-19.8-177.700000114.4N427 L428 G433N427-G431 PolarHBondContact O-N 2.97Å; L428-G431 PolarHBondContact O-N 2.99Å; G431-G433 PolarHBondContact O-N 3.32Å
432G38Very low42.9Very low89 Ų89116.2 Ų116.292%0.91865%0.648SS**G310 helixtrans-70.19.6-175.700000117.1K430K430-G432 VanDerWaalsContact C-N 3.28Å; K430-G432 PolarHBondContact O-N 3.48Å
433G41.5Very low41.7Very low72 Ų72115.8 Ų115.874%0.74266%0.662SS**G310 helixtrans-176.148.8-174.700000116.9G431G431-G433 PolarHBondContact O-N 3.32Å
434A33.5Very low40.6Very low86 Ų86116.2 Ų116.271%0.71167%0.669SS**  trans-147.363.4176.900000114
435L39.1Very low39.5Very low166 Ų166121.8 Ų121.887%0.86970%0.696SS**  trans-75.1147.3159.5-73.4172.2000109.8
436I41Very low38.4Very low158 Ų158129.8 Ų129.881%0.8173%0.729SS**  trans70.6121.3178.4-43.3169.2000111.1
437L31.1Very low37.4Very low137 Ų137135.9 Ų135.972%0.71776%0.762SS**  cis-154.8133.742.7-149.9154.1000111.4M439L437-M439 HydrophobicContact CD2-CB 3.81Å; L437-M439 HydrophobicContact CD2-CG 3.81Å; L437-M439 HydrophobicContact CD2-SD 4.45Å
438N33.4Very low36.5Very low159 Ų159141.3 Ų141.385%0.8578%0.781SS**  trans-117.992.9178.4-170.4-3.1000111.4
439M32.1Very low35.4Very low160 Ų160140.7 Ų140.779%0.78880%0.797SS**  trans-142.484.8177.7-78-159.8171.500114.8L437L437-M439 HydrophobicContact CD2-CB 3.81Å; L437-M439 HydrophobicContact CD2-CG 3.81Å; L437-M439 HydrophobicContact CD2-SD 4.45Å
440K32.4Very low34.5Very low201 Ų201142.6 Ų142.687%0.87481%0.812SS**  37.5107.9116.6-174.6-172.7-177.8178.50118.9
441T29.5Very low33.5Very low144 Ų144142 Ų14288%0.88382%0.821SS**  trans-146.9139.2141.9-13.60000112.6
442K36.2Very low33.1Very low212 Ų212149.5 Ų149.592%0.92284%0.837SS**  trans-102.3124.7168.1-79.2-174.8175.8-178.60110.2
443A32.5Very low32.8Very low94 Ų94150.7 Ų150.778%0.77783%0.832SS**  trans-157.1110.6152.800000106.5
444N30.5Very low32.1Very low150 Ų150151 Ų15180%0.80283%0.834SS**  59.196.165.4-170.126.7000113.7
445M27.8Very low32Very low167 Ų167155.3 Ų155.382%0.82385%0.845SS**  -165.5156.5114.5-94.2-148.47200111.8
446K30.7Very low31.6Very low187 Ų187156.2 Ų156.281%0.81384%0.841SS**  trans-92.1142170.9-57.7170.4179.7175.40109.9
447T31.1Very low31.1Very low147 Ų147155.9 Ų155.990%0.90284%0.842SS**  trans-152.5153146.93.10000112.5
448K30.9Very low31.1Very low210 Ų210157.9 Ų157.991%0.91385%0.852SS**  trans-87.1160.2177.7-49.9167.2-177.4176.90109.9
449G27.3Very low30.8Very low77 Ų77157 Ų15779%0.79485%0.847SS**  trans175.8113.8161.800000115.1
450L31.8Very low30.8Very low169 Ų169156.1 Ų156.189%0.88584%0.843SS**  trans-78.3151158.8-81.264.4000109.1
451T31.2Very low30.5Very low139 Ų139153.8 Ų153.885%0.85384%0.835SS**  -164.4134.9121.323.30000111.7
452K33.9Very low30.6Very low215 Ų215154.7 Ų154.794%0.93583%0.827SS**  trans-80.8134.4156.4-74.3-178175.5-178.50108.6
453S31.2Very low30.2Very low115 Ų115150.5 Ų150.580%0.80482%0.819SS**  trans-167.6116.7149.2560000110.8
454G26.2Very low30.1Very low77 Ų77153.4 Ų153.479%0.79482%0.816SS**  trans-94.6149.7165.300000110.8
455L32.3Very low29.8Very low177 Ų177152.2 Ų152.293%0.92781%0.806SS**  trans-150.8160164.1-117.4169.5000110.6
456K31.2Very low30.1Very low185 Ų185151.6 Ų151.680%0.80480%0.8SS**  trans-96155.1-165.3-61.7174.5179.81780112.1
457N30.5Very low30Very low152 Ų152147.4 Ų147.481%0.81379%0.787SS**  trans5123.8152.9-50.4-8.8000117.5
458L29.6Very low30.1Very low178 Ų178150.3 Ų150.393%0.93278%0.782SS**  -161.8168.7119.8-110.5151.8000113.4
459L29.1Very low29.9Very low142 Ų142144.7 Ų144.774%0.74377%0.768SS**  trans-108.9173.6-153.7-162.376.6000111.5
460I30.5Very low30.1Very low140 Ų140148.4 Ų148.472%0.71877%0.769SS**  trans65145.7165.824.3-176000116.6
461H27.5Very low30.2Very low152 Ų152147 Ų14770%0.70476%0.758SS**  cis-150.817644-153-102.3000116.4
462K30.5Very low30.2Very low163 Ų163150.4 Ų150.471%0.70976%0.755SS**  trans-77.9175.4-170.6-48165.9178.91730115.3
463V28.6Very low29.9Very low124 Ų124143.3 Ų143.375%0.75274%0.744SS**  -171.6128.5120.4134.90000115.8
464H28.9Very low30Very low155 Ų155141.5 Ų141.572%0.71874%0.743SS**  trans48.3162.8154.5-74.1-76.1000124
465H26.1Very low30.3Very low126 Ų126143.8 Ų143.858%0.58375%0.747SS**  cis-149.8142.81.2-135.2-76.5000112
466E33.2Very low30.4Very low153 Ų153142.3 Ų142.372%0.71574%0.737SS**  trans38.4164.7148.7-78.4169.2-179.300123.9
467D29.3Very low30.4Very low99 Ų99139.1 Ų139.153%0.52974%0.738SS.*  cis-150.916212.7-150.1-10000114
468R31.7Very low30.6Very low209 Ų209138.9 Ų138.979%0.78973%0.731SS**  trans38.6150.7155.9-77.3155.2-138.5-149.19.8123.2
469S26.7Very low31.1Very low91 Ų91140.1 Ų140.164%0.63672%0.724SS**  cis-173.6141.3-13.550.70000113.3
470L31.6Very low31.6Very low155 Ų155142.7 Ų142.781%0.81272%0.724SS**  trans47.3135.5143.5-56.3176.7000119.7
471Q34.2Very low31.7Very low139 Ų139141.4 Ų141.465%0.6572%0.722SS**  cis-161.1-161.714.7-145.4177.9100.900107.2
472R31.6Very low32Very low211 Ų211142.5 Ų142.580%0.79673%0.727SS**  cis-167.1149.30.3179.5173.6-172.8110.5-8.7106.7
473G28.6Very low32.5Very low67 Ų67139 Ų13969%0.69172%0.724SS**  cis118.5106.8-6.200000114.1
474G32.4Very low32.8Very low77 Ų77140.2 Ų140.279%0.79473%0.726SS**  cis161.3145.8-5.100000110.9
475S32.1Very low33.3Very low125 Ų125137.8 Ų137.887%0.87473%0.727SS**  trans-159.9144-175.5-164.40000113
476M35.5Very low33.7Very low146 Ų146139.7 Ų139.772%0.71974%0.74SS**  cis162.7128-26.5-104-79.6-71.200108.2
477S31.1Very low33.8Very low117 Ų117141.2 Ų141.282%0.81875%0.747SS**  trans-168-179.2148.5-156.80000112.2
478H34.5Very low33.9Very low147 Ų147140.9 Ų140.968%0.68175%0.753SS**  trans-125.7142.1-154.4-81-27.3000118.5
479R39Very low34Very low204 Ų204142.5 Ų142.577%0.7776%0.759SS**  33.5148.3109.5-110.4-176.5-170.7-169.33118.8
480R39.3Very low34.8Very low197 Ų197145.9 Ų145.974%0.74377%0.769SS**  cis-175.8-17826.5-164.4-159.8-60.7-143.82.7111
481V34.2Very low35.2Very low113 Ų113144.6 Ų144.669%0.68577%0.77SS**  trans91139.1156.9179.50000116.3
482Q32.3Very low35.2Very low174 Ų174145.2 Ų145.281%0.81378%0.776SS**  cis-156.6179.2-23.3-114.6179.3-90.200110.6
483S42.6Very low35.3Very low91 Ų91141.3 Ų141.364%0.63678%0.776SS**  trans-97169.1174.853.90000114.3
484D34.2Very low35.7Very low149 Ų149146.9 Ų146.980%0.79778%0.784SS**  176.8-173.8119.2-879000112.4
485S39.7Very low35.9Very low104 Ų104151.9 Ų151.973%0.72779%0.786SS**  trans-151.1157.9-148.671.60000119
486L33.5Very low35.8Very low166 Ų166156.4 Ų156.487%0.86979%0.791SS**  trans80.4155.9153.4-70.8172.4000122.1
487Q34.7Very low35.5Very low184 Ų184152.8 Ų152.886%0.8679%0.791SS**  trans81144.9170.4-52.6-169.719.100118.6
488S33.1Very low35.7Very low92 Ų92157.6 Ų157.664%0.64380%0.797SS**  cis-167.1158.8-29.772.30000112.8
489R33.9Very low35.6Very low243 Ų243155.7 Ų155.792%0.91780%0.8SS**  trans69.2142.3156.7-65.6-179178-130.4-2.4121.4
490L41.7Very low35.8Very low162 Ų162155.4 Ų155.485%0.84880%0.799SS**  trans-89.3166.5162.9-65.8167.8000111.2
491P41.2Very low35.7Very low129 Ų129152.3 Ų152.384%0.83880%0.804SS**  -137.1-169.7113.839-27.6000114.7
492I35.1Very low35.6Very low152 Ų152156.7 Ų156.778%0.77981%0.808SS**  trans-114.8146.7-156.7-63.7161.1000113.1
493T32.8Very low35.7Very low129 Ų129159.7 Ų159.779%0.79181%0.812SS**  trans159.4157.7142.636.40000109.1
494Q36.9Very low35.2Very low184 Ų184161.5 Ų161.586%0.8682%0.822SS**  cis-149.1156.37-141.5169.811.900109.9
495H35.8Very low35Very low181 Ų181159 Ų15984%0.83882%0.823SS**  trans-93.1149.4176.5-65.1-92.3000113.1
496F30.6Very low34.7Very low221 Ų221163.4 Ų163.497%0.96983%0.831SS**  trans178.3147.1131.5-104.3-71.9000109.7
497G30.4Very low34.4Very low70 Ų70164.4 Ų164.472%0.72283%0.829SS**  trans-176.9-24.9-179.300000122
498K35.1Very low34.2Very low217 Ų217163.5 Ų163.594%0.94383%0.828SS**  trans66.7177.4-176.3-54.9178.9179.2177.20114.7
499S32.5Very low34Very low107 Ų107169.1 Ų169.175%0.74884%0.835SS**  trans-148.6146.4-149.158.10000116.1
500R42.2Very low33.8Very low198 Ų198162.2 Ų162.275%0.74782%0.817SS**  trans51.5148.1151.9-78.2-174.6174.9169.80.5119.7
501P37.3Very low33.3Very low132 Ų132163.5 Ų163.586%0.85782%0.815SS**  -116.7173.2111.4-10.429.3000114.8
502R31.8Very low32.7Very low205 Ų205163.2 Ų163.277%0.77481%0.807SS**  trans-138.7141.4166.1-109.8-171.9172.2-171.2-2.6107.5
503R35Very low32.3Very low237 Ų237162.7 Ų162.789%0.89481%0.81SS**  trans48.6128.9163.7-77.2-171.7177.5173.9-1.8119.5
504P31.8Very low32.2Very low129 Ų129162.3 Ų162.384%0.83881%0.808SS**  trans-75.5159.6139.2-5.424.6000111
505A29.1Very low31.9Very low98 Ų98161.3 Ų161.381%0.8180%0.801SS**  trans-116.9161.3162.500000109.4
506Q33.7Very low31.6Very low195 Ų195158.4 Ų158.491%0.91179%0.791SS**  trans-64154.2-178.2-64166.2-56.700112.7
507K28.7Very low31.5Very low187 Ų187153 Ų15381%0.81378%0.777SS**  trans-153.6126.4139.6-119.4-168.4177.9-160.10112.9
508I28.7Very low31.4Very low165 Ų165158.1 Ų158.185%0.84678%0.782SS**  trans-76.5157.2149.7-65.9167.4000106.9
509R29Very low31.1Very low210 Ų210154.8 Ų154.879%0.79277%0.774SS**  trans-123.1127-174.8-167.8176.4178.6-150.3-14.4114.5
510D29.7Very low31Very low99 Ų99155.1 Ų155.153%0.52977%0.767SS.*  trans21.3126.8152.2-34.2-24.8000120.5
511K31.2Very low30.3Very low188 Ų188155.8 Ų155.882%0.81777%0.77SS**  -172.3148.4122.1-94.7-159.9169.7-159.90108.2
512D29.3Very low29.8Very low124 Ų124156.6 Ų156.666%0.66377%0.767SS**  cis-157.4-163.4-11.1-121.7-26.7000107.4
513V27.4Very low29.6Very low141 Ų141151.7 Ų151.786%0.85576%0.764SS**  trans99.7147.1166.9-1740000116.6
514T30.9Very low29.2Very low120 Ų120149 Ų14974%0.73676%0.762SS**  trans-139.3145.1-158.353.60000113.9
515K30.7Very low28.9Very low164 Ų164151 Ų15171%0.71376%0.76SS**  trans68145.5145.1-104.2179.4137.7-70.20120.6
516D28.5Very low28.7Very low119 Ų119152.7 Ų152.764%0.63676%0.755SS**  trans66.4159.4152-53.8-21.1000118
517T28.2Very low28.4Very low109 Ų109148.5 Ų148.567%0.66975%0.748SS**  cis-161.2157.1-48.9-49.90000105.5
518E29.2Very low28.2Very low176 Ų176150.4 Ų150.482%0.82275%0.75SS**  trans70.7149.1169.1-43.5-178.7175.100115.4
519D29.1Very low28.3Very low147 Ų147150.9 Ų150.979%0.78675%0.753SS**  cis-154-145.1-44.2-119.643.2000105.3
520L28.9Very low28.2Very low115 Ų115146.1 Ų146.160%0.60276%0.758SS**  cis-163.9151.94.2-165.759.2000108.5
521W28.5Very low27.9Very low212 Ų212145.3 Ų145.380%0.80377%0.774SS**  trans66.2137.7176.5-45.1108.9000116.1
522D27.4Very low27.8Very low148 Ų148145.3 Ų145.379%0.79178%0.777SS**  cis68114.6-2.1-136.79.8000119.3
523S25.7Very low28.9Very low103 Ų103143.7 Ų143.772%0.7277%0.773SS**  trans-156.790.4165.4-72.60000110.1
524E27.2Very low28.9Very low180 Ų180143.7 Ų143.784%0.84177%0.768SS**  trans59.6133.2146.7-59.7-176166.300119.8
525E26.2Very low29Very low170 Ų170143.3 Ų143.379%0.79477%0.771SS**  cis-155.9165.1-14-135-156.8148.200112.7
526N24.7Very low29Very low135 Ų135144 Ų14472%0.72278%0.776SS**  trans-43.7145.7170.7-96.2-71000116.2
527S26.8Very low28.9Very low107 Ų107145.5 Ų145.575%0.74878%0.783SS**  -171.2117.5107.137.50000117.5
528R25.9Very low29.1Very low226 Ų226146.5 Ų146.585%0.85378%0.783SS**  trans56.5102.9130.3-57.6-178.6-175.7-170.71.8121
529L29.2Very low29.1Very low175 Ų175145.5 Ų145.592%0.91678%0.776SS**  12.5123.5116.8-65.5166.4000118.6
530A26.9Very low29.1Very low110 Ų110146.4 Ų146.491%0.90978%0.776SS**  172.6157.4113.500000112.1
531G24.8Very low29.4Very low83 Ų83149 Ų14986%0.85679%0.785SS**  trans114.783.8157.400000118.2
532Q29.4Very low29.4Very low187 Ų187148.4 Ų148.487%0.87479%0.791SS**  trans-89.1176.3148-119.8-173.4-1.100108.4
533P50.9Low29.9Very low90 Ų90150 Ų15058%0.58479%0.794SS**  cis-141.1-160.5-3.728.5-1.6000114.6
534D28.6Very low30Very low141 Ų141152 Ų15275%0.75480%0.797SS**  trans113145.2139-68-24.1000122.1
535S32.1Very low30.2Very low113 Ų113151.7 Ų151.779%0.7980%0.795SS**  trans61.6109-175.555.80000115.7
536E30.3Very low30.3Very low177 Ų177150.4 Ų150.483%0.82779%0.793SS**  cis79.5149.929.5-62.2-151.4135.800117.9
537I27.8Very low30.3Very low151 Ų151150.1 Ų150.177%0.77479%0.792SS**  trans96.293.7-179.1-58.5168.4000112
538L30.6Very low30.4Very low130 Ų130150.9 Ų150.968%0.68180%0.797SS**  64.1137.261.7-52.3171.3000111.7
539K30.8Very low30.9Very low155 Ų155145 Ų14567%0.67479%0.788SS**  cis-154.6-172.60.7-119.3174.5178.2-164.90106.8
540E28.4Very low30.8Very low167 Ų167143.7 Ų143.778%0.7878%0.782SS**  cis-160.3167.431.7-144127.7-118.700110.1
541E34.2Very low30.9Very low168 Ų168144.8 Ų144.879%0.78578%0.781SS**  trans-110.6145.9-179.9-60.1149.713400110.1
542E30Very low31.1Very low200 Ų200147.4 Ų147.494%0.93578%0.775SS**  trans-139.6142.7151.2-73.2-164.4143.200108.6
543E36.6Very low31.4Very low182 Ų182143.8 Ų143.885%0.8577%0.771SS**  trans-102.2-144.7-178.1-61-174.7108.500110.5
544D28.2Very low31Very low146 Ų146147.9 Ų147.978%0.78178%0.782SS**  trans69.8140.7172.3-55-7.2000118
545E31Very low31.7Very low172 Ų172150.2 Ų150.280%0.80479%0.788SS**  cis-160.8151.7-33.3-137.7177.4-172.400109.4
546D28.3Very low32.4Very low143 Ų143151.3 Ų151.377%0.76578%0.783SS**  trans69.4162.5149-116.5-12.3000125.4
547D26.3Very low33.8Very low129 Ų129148 Ų14869%0.6977%0.771SS**  trans68.299.7162.5-92.1-28.6000122
548S28.9Very low35Very low123 Ų123145.6 Ų145.686%0.8676%0.759SS**  trans-145.893.7146-770000109.9
549P34.6Very low36.2Very low103 Ų103145 Ų14567%0.66976%0.756SS**  trans-81.5174.2-176.933.2-36.4000113.4
550L27.3Very low37.5Very low148 Ų148138.6 Ų138.678%0.77573%0.734SS**  trans77.959.9175.5-47.9-177.9000116.3
551C29.6Very low38.9Very low132 Ų132137 Ų13789%0.89273%0.726SS**  trans-84.6108.2137.3-173.30000107.3
552D29.4Very low40.3Very low138 Ų138133.4 Ų133.474%0.73871%0.712SS**  trans-72.7162.2178.6-95.5-41.1000112.5
553S36.3Very low41.3Very low111 Ų111130.4 Ų130.478%0.77670%0.696SS**  trans-59.7146.7-163.9-168.70000115.2E555S553-E555 PolarHBondContact O-N 3Å; S553-E555 VanDerWaalsContact O-N 3.09Å
554E42.6Very low42Very low176 Ų176126.8 Ų126.882%0.82268%0.682SS**  trans-59.3107.8165.1-63.5174.8122.900110.7
555E41.6Very low43.1Very low190 Ų190123.8 Ų123.889%0.88867%0.669SS**  trans-100.3100.3156.2-173.5168.7-134.500106.9S553 D557S553-E555 PolarHBondContact O-N 3Å; S553-E555 VanDerWaalsContact O-N 3.09Å; E555-D557 PolarHBondContact O-N 3.08Å
556M46.8Very low43.7Very low137 Ų137120.8 Ų120.868%0.67566%0.658SS**  trans-67.7119-175.8-61.5-151.8-49.400110.6L558M556-L558 HydrophobicContact CE-CD2 4.22Å; M556-L558 PolarHBondContact O-N 3.1Å
557D61Low44.4Very low108 Ų108117.7 Ų117.758%0.57865%0.648SS**  trans-75.771.7177-172.810.2000111.7E555 L559 G560 E561E555-D557 PolarHBondContact O-N 3.08Å; D557-L559 PolarHBondContact O-N 3.47Å; D557-L559 VanDerWaalsContact O-N 3.16Å; D557-L559 PolarHBondContact OD1-N 2.79Å; D557-G560 VanDerWaalsContact CG-N 3.29Å; D557-G560 PolarHBondContact O-N 2.87Å; D557-G560 VanDerWaalsContact O-N 3.11Å; D557-G560 PolarHBondContact OD1-N 3.16Å; D557-E561 PolarHBondContact O-N 3.4Å; D557-E561 VanDerWaalsContact O-N 3.11Å
558L53.3Low45.1Very low99 Ų99115.1 Ų115.152%0.51864%0.64SS.*Hα-helixtrans-58.1-23.4174-65172.3000112.1M556 I562M556-L558 HydrophobicContact CE-CD2 4.22Å; M556-L558 PolarHBondContact O-N 3.1Å; L558-I562 WeakPolarHBondContact O-CB 3.49Å; L558-I562 VanDerWaalsContact O-CD1 3.26Å; L558-I562 WeakPolarHBondContact O-CD1 3.42Å; L558-I562 WeakPolarHBondContact O-CG1 3.43Å; L558-I562 PolarHBondContact O-N 3.16Å; L558-I562 VanDerWaalsContact O-N 3.15Å
559L54.3Low45.5Very low117 Ų117119.5 Ų119.561%0.61364%0.638SS**Hα-helixtrans-77.9-41176.1-65.1177.6000111D557 I562 F563D557-L559 PolarHBondContact O-N 3.47Å; D557-L559 VanDerWaalsContact O-N 3.16Å; D557-L559 PolarHBondContact OD1-N 2.79Å; L559-I562 PolarHBondContact O-N 3.17Å; L559-F563 VanDerWaalsContact O-CD2 3.24Å; L559-F563 WeakPolarHBondContact O-CD2 3.34Å; L559-F563 PolarHBondContact O-N 3.01Å
560G58.7Low45.5Very low21 Ų21119.1 Ų119.122%0.21664%0.638CS.*Hα-helixtrans-55.4-51.5170.500000112.3D557 I562 F563 D564D557-G560 VanDerWaalsContact CG-N 3.29Å; D557-G560 PolarHBondContact O-N 2.87Å; D557-G560 VanDerWaalsContact O-N 3.11Å; D557-G560 PolarHBondContact OD1-N 3.16Å; G560-I562 VanDerWaalsContact C-N 3.34Å; G560-I562 PolarHBondContact O-N 2.95Å; G560-F563 PolarHBondContact O-N 3.35Å; G560-D564 PolarHBondContact O-N 3.43Å
561E58.7Low45.9Very low133 Ų133116.1 Ų116.162%0.62163%0.629SS**Hα-helixtrans-61.2-39.3176.7-68.8-165.5143.300112.7D557 T565D557-E561 PolarHBondContact O-N 3.4Å; D557-E561 VanDerWaalsContact O-N 3.11Å; E561-T565 VanDerWaalsContact O-CB 3.24Å; E561-T565 WeakPolarHBondContact O-CB 3.42Å; E561-T565 PolarHBondContact O-N 3.08Å; E561-T565 PolarHBondContact O-OG1 3.31Å
562I62.5Low46.1Very low93 Ų93118.4 Ų118.448%0.47763%0.626SS.*Hα-helixtrans-64.6-41.9175.2-74.6167.1000111.1L558 L559 G560 T565 L566L558-I562 WeakPolarHBondContact O-CB 3.49Å; L558-I562 VanDerWaalsContact O-CD1 3.26Å; L558-I562 WeakPolarHBondContact O-CD1 3.42Å; L558-I562 WeakPolarHBondContact O-CG1 3.43Å; L558-I562 PolarHBondContact O-N 3.16Å; L558-I562 VanDerWaalsContact O-N 3.15Å; L559-I562 PolarHBondContact O-N 3.17Å; G560-I562 VanDerWaalsContact C-N 3.34Å; G560-I562 PolarHBondContact O-N 2.95Å; I562-T565 PolarHBondContact O-N 3.22Å; I562-L566 HydrophobicContact CG2-CD1 3.93Å; I562-L566 WeakPolarHBondContact O-CB 3.43Å; I562-L566 VanDerWaalsContact O-CG 3.28Å; I562-L566 WeakPolarHBondContact O-CG 3.26Å; I562-L566 PolarHBondContact O-N 2.98Å
563F51.8Low46Very low137 Ų137119.3 Ų119.360%0.60163%0.631SS**Hα-helixtrans-66.8-42.7177.9-86.3-67.1000112.4L559 G560 T565 L566 S567L559-F563 VanDerWaalsContact O-CD2 3.24Å; L559-F563 WeakPolarHBondContact O-CD2 3.34Å; L559-F563 PolarHBondContact O-N 3.01Å; G560-F563 PolarHBondContact O-N 3.35Å; F563-T565 VanDerWaalsContact C-N 3.33Å; F563-T565 PolarHBondContact O-N 3.13Å; F563-L566 PolarHBondContact O-N 3.01Å; F563-S567 WeakPolarHBondContact O-CB 3.47Å; F563-S567 PolarHBondContact O-N 2.7Å; F563-S567 PolarHBondContact O-OG 3.19Å; F563-S567 VanDerWaalsContact O-OG 3.14Å
564D51.3Low46Very low107 Ų107125.7 Ų125.757%0.57264%0.638SS**Hα-helixtrans-68.7-32176-76.2-10.6000111.9G560 S567 S568G560-D564 PolarHBondContact O-N 3.43Å; D564-S567 PolarHBondContact O-N 3.02Å; D564-S568 WeakPolarHBondContact O-CB 3.42Å; D564-S568 PolarHBondContact O-N 3.05Å; D564-S568 PolarHBondContact O-OG 3.24Å
565T50.1Low45.4Very low83 Ų83120.1 Ų120.151%0.50963%0.628SS.*Hα-helixtrans-68.9-31.5172.6-580000112.8E561 I562 F563 S568E561-T565 VanDerWaalsContact O-CB 3.24Å; E561-T565 WeakPolarHBondContact O-CB 3.42Å; E561-T565 PolarHBondContact O-N 3.08Å; E561-T565 PolarHBondContact O-OG1 3.31Å; I562-T565 PolarHBondContact O-N 3.22Å; F563-T565 VanDerWaalsContact C-N 3.33Å; F563-T565 PolarHBondContact O-N 3.13Å; T565-S568 PolarHBondContact O-OG 3.4Å
566L43.6Very low45.1Very low108 Ų108119 Ų11957%0.56563%0.627SS**Hα-helixtrans-77.5-40.9173.2-71.8169.6000111.7I562 F563 S568 R569I562-L566 HydrophobicContact CG2-CD1 3.93Å; I562-L566 WeakPolarHBondContact O-CB 3.43Å; I562-L566 VanDerWaalsContact O-CG 3.28Å; I562-L566 WeakPolarHBondContact O-CG 3.26Å; I562-L566 PolarHBondContact O-N 2.98Å; F563-L566 PolarHBondContact O-N 3.01Å; L566-S568 VanDerWaalsContact C-N 3.35Å; L566-S568 PolarHBondContact O-N 3.31Å; L566-R569 PolarHBondContact O-N 3.36Å
567S44.2Very low44.3Very low78 Ų78120.6 Ų120.655%0.54564%0.638SS.*Hα-helixtrans-67.3-30.6178.6-69.60000113.7F563 D564 R569 S570F563-S567 WeakPolarHBondContact O-CB 3.47Å; F563-S567 PolarHBondContact O-N 2.7Å; F563-S567 PolarHBondContact O-OG 3.19Å; F563-S567 VanDerWaalsContact O-OG 3.14Å; D564-S567 PolarHBondContact O-N 3.02Å; S567-R569 VanDerWaalsContact C-N 3.33Å; S567-S570 PolarHBondContact O-OG 2.72Å
568S41.3Very low42.7Very low76 Ų76126.3 Ų126.353%0.53165%0.652SS.*G310 helixtrans-74.6-20.3176.846.90000113.9D564 T565 L566 S571D564-S568 WeakPolarHBondContact O-CB 3.42Å; D564-S568 PolarHBondContact O-N 3.05Å; D564-S568 PolarHBondContact O-OG 3.24Å; T565-S568 PolarHBondContact O-OG 3.4Å; L566-S568 VanDerWaalsContact C-N 3.35Å; L566-S568 PolarHBondContact O-N 3.31Å; S568-S571 PolarHBondContact O-OG 3.21Å; S568-S571 VanDerWaalsContact O-OG 3.11Å
569R36Very low41.6Very low215 Ų215125 Ų12581%0.81166%0.664SS**G310 helixtrans-89.2-10.3-177.7-84-174.4160.4-157.7-5.8115.9L566 S567L566-R569 PolarHBondContact O-N 3.36Å; S567-R569 VanDerWaalsContact C-N 3.33Å
570S35.7Very low40.5Very low95 Ų95125 Ų12566%0.66467%0.668SS**G310 helixtrans-87.91.8179.956.90000114.6S567 H572S567-S570 PolarHBondContact O-OG 2.72Å; S570-H572 VanDerWaalsContact C-N 3.28Å; S570-H572 PolarHBondContact O-N 3.45Å
571S34.8Very low39.2Very low85 Ų85135.2 Ų135.259%0.59470%0.7SS**SBendtrans-74.4-7.7-172.751.40000115.5S568S568-S571 PolarHBondContact O-OG 3.21Å; S568-S571 VanDerWaalsContact O-OG 3.11Å
572H34.4Very low38Very low180 Ų180130.8 Ų130.883%0.83368%0.684SS**SBendtrans-13062.4-175.8-78.7-66.7000114S570S570-H572 VanDerWaalsContact C-N 3.28Å; S570-H572 PolarHBondContact O-N 3.45Å
573D26.8Very low37Very low157 Ų157131.4 Ų131.484%0.8469%0.688SS**  trans-149151.1140-150.5-15.4000111.6
574R37.3Very low36.4Very low245 Ų245127.9 Ų127.993%0.92568%0.675SS**  trans-111.173.1-177.9-90.1-174165.4-177.5-3.5111.4
575G29.6Very low35.6Very low59 Ų59129.5 Ų129.561%0.60868%0.683SS**PPolyproline II helixtrans-91.2142.2169.500000113.2L577G575-L577 PolarHBondContact O-N 3.3Å
576L34.2Very low34.7Very low166 Ų166133.4 Ų133.487%0.86969%0.693SS**PPolyproline II helixtrans-69.1119.3170.2-81.873.2000109.8
577L30.5Very low34.2Very low171 Ų171131.3 Ų131.390%0.89570%0.697SS**PPolyproline II helixtrans-82.1129.6176.5-63.1178.3000111.2G575G575-L577 PolarHBondContact O-N 3.3Å
578Y27.6Very low33.9Very low227 Ų227133 Ų13389%0.8971%0.707SS**PPolyproline II helixtrans-77150.1175-91.4-104.6000111.9
579G30.1Very low33.5Very low73 Ų73136.9 Ų136.975%0.75372%0.721SS**PPolyproline II helixtrans-65.6142.5-174.200000114.9R581G579-R581 PolarHBondContact O-N 3.01Å
580T32.3Very low33.2Very low116 Ų116132.2 Ų132.271%0.71272%0.722SS**PPolyproline II helixtrans-72.6120.9-177.153.30000112.6K223K223-T580 PolarHBondContact NZ-O 3.45Å; K223-T580 PolarHBondContact NZ-OG1 2.94Å
581R30.3Very low33Very low235 Ų235136.7 Ų136.789%0.88773%0.732SS**PPolyproline II helixtrans-67.9132.8169-67.5-178.1175.9-179.5-0.9109.6G579G579-R581 PolarHBondContact O-N 3.01Å
582S34.4Very low32.8Very low40 Ų40139.9 Ų139.928%0.2874%0.742SS.*PPolyproline II helixtrans-77.7163.5174.2-60.50000111.5K223 D584K223-S582 PolarHBondContact NZ-OG 2.94Å; S582-D584 WeakPolarHBondContact CB-OD2 3.2Å; S582-D584 PolarHBondContact O-N 3.3Å
583L40.3Very low32.5Very low106 Ų106140.9 Ų140.956%0.55574%0.74SS**SBendtrans-74.716.8-175.1-68.4170.8000115.2L585L583-L585 PolarHBondContact O-N 3.22Å
584D38.9Very low32.5Very low63 Ų63141.1 Ų141.134%0.33774%0.74SS.*  trans-78.744-174.9-54.3-77.8000113.2R190 S582R190-D584 IonicContact CZ-OD1 2.62Å; R190-D584 IonicContact NH2-OD1 3.08Å; R190-D584 PolarHBondContact NH2-OD1 2.96Å; S582-D584 WeakPolarHBondContact CB-OD2 3.2Å; S582-D584 PolarHBondContact O-N 3.3Å
585L35.1Very low32Very low141 Ų141136.6 Ų136.674%0.73873%0.732SS**  trans-135.424.1-172.1-122.6169.7000114.6L583L583-L585 PolarHBondContact O-N 3.22Å
586F32.1Very low32.1Very low166 Ų166142.6 Ų142.673%0.72874%0.742SS**  trans-130.479.8169.8-67.9-70.3000111.4
587G33Very low31.7Very low63 Ų63146.2 Ų146.265%0.64974%0.744SS**  trans-90.7151.9144.900000109
588P36.4Very low31.5Very low115 Ų115144 Ų14475%0.74774%0.737SS**SBendtrans-61.8168.4152.132-33.8000109.6
589D34.2Very low31.7Very low156 Ų156138.9 Ų138.983%0.83473%0.731SS**  trans67.871.1172-47.9-28.4000116.3
590S29.2Very low31.5Very low117 Ų117138.7 Ų138.782%0.81873%0.73SS**  trans-132.255.9157.278.40000112.3D592S590-D592 PolarHBondContact O-N 3.36Å
591H32.4Very low31.1Very low189 Ų189140.8 Ų140.888%0.87574%0.737SS**  trans-77.4104.5164-98.7-74.5000109.5
592D29.1Very low31.1Very low152 Ų152135.6 Ų135.681%0.81373%0.734SS**  trans-145.9150.7165.2-138.8-26.7000112.7S590S590-D592 PolarHBondContact O-N 3.36Å
593Y28.9Very low30.8Very low201 Ų201139.3 Ų139.379%0.78876%0.759SS**  trans-92.2118.9-156.4-81.6-107000114.5I595Y593-I595 PolarHBondContact O-N 2.7Å; Y593-I595 VanDerWaalsContact O-N 3.09Å
594I27.1Very low30.1Very low163 Ų163142.6 Ų142.684%0.83677%0.772SS**  trans-76.695162.8-58.6-179.4000109.7K596I594-K596 PolarHBondContact O-N 3.18Å; I594-K596 VanDerWaalsContact O-N 3.15Å
595I26.9Very low29.5Very low149 Ų149148 Ų14876%0.76480%0.795SS**  trans-69.1107.6170.9-61.9178.3000109.6Y593 R597Y593-I595 PolarHBondContact O-N 2.7Å; Y593-I595 VanDerWaalsContact O-N 3.09Å; I595-R597 PolarHBondContact O-N 2.89Å
596K30Very low29.2Very low185 Ų185145.7 Ų145.780%0.80479%0.79SS**  trans-63.9122.2171.4-69.4-179.9178.5176.50110.5I594I594-K596 PolarHBondContact O-N 3.18Å; I594-K596 VanDerWaalsContact O-N 3.15Å
597R26.4Very low28.8Very low243 Ų243145.5 Ų145.592%0.91780%0.796SS**  trans-82.9131158.2-71-172.7-178.6179.22.1109.3I595I595-R597 PolarHBondContact O-N 2.89Å
598V27.5Very low28.4Very low124 Ų124147.3 Ų147.375%0.75280%0.799SS**  trans-111.7121.7175.71740000109
599P30.5Very low27.9Very low119 Ų119149.4 Ų149.477%0.77380%0.803SS**PPolyproline II helixtrans-71.5143162.8-1430.2000110.6
600G25.6Very low27.4Very low70 Ų70146 Ų14672%0.72279%0.792SS**PPolyproline II helixtrans-75.9162.4-174.100000115.8
601N25.4Very low27.2Very low160 Ų160147.4 Ų147.486%0.85679%0.788SS**PPolyproline II helixtrans-59.6149.8179.6-53.5-10000114.1
602P28.8Very low26.7Very low126 Ų126144.2 Ų144.282%0.81879%0.787SS**PPolyproline II helixtrans-92.9168.7135.334.3-30.1000111.7
603S27.8Very low26.5Very low117 Ų117140.9 Ų140.982%0.81879%0.789SS**PPolyproline II helixtrans-83.8173.5-165.652.20000116.1
604Q26.8Very low26.3Very low176 Ų176137.7 Ų137.782%0.82280%0.796SS**  trans-41147.3171.9-55.3174.7-5.200114.3
605E26.6Very low26.2Very low177 Ų177133.1 Ų133.183%0.82779%0.789SS**  -166.9157107-110.1-177.2-142.200114.8
606S27.9Very low26Very low91 Ų91131.1 Ų131.164%0.63679%0.788SS**  trans58.593.9146.6-61.50000122.3
607L25.1Very low25.7Very low163 Ų163129 Ų12985%0.85379%0.785SS**  66.3120122.3-66.2173.1000122.4
608S24.8Very low25.6Very low100 Ų100125.1 Ų125.170%0.69978%0.777SS**  110.5113.9120.373.30000121.2
609L24.7Very low25.4Very low159 Ų159123.6 Ų123.683%0.83277%0.771SS**  60.8104124.1-61176.7000120.4
610S24.6Very low25Very low86 Ų86128.7 Ų128.760%0.60178%0.776SS**  118115.999.2-79.50000120.5
611I23.6Very low24.9Very low146 Ų146131.7 Ų131.775%0.74978%0.775SS**  69117.3120-61.9170000119.3
612S22.9Very low24.9Very low122 Ų122130.8 Ų130.885%0.85377%0.769SS**  trans57.8122.2148.1-60.90000121
613G25.2Very low24.7Very low82 Ų82132 Ų13285%0.84576%0.764SS**  trans-161.479.816500000111.3
614S24.1Very low24.5Very low134 Ų134132.1 Ų132.194%0.93776%0.76SS**  trans-78.2144.5176.7-177.90000111.3
615G24.2Very low24.4Very low66 Ų66128.5 Ų128.568%0.6875%0.75SS**  trans152.3100.8156.900000118.8
616S23.9Very low24.6Very low108 Ų108128.2 Ų128.276%0.75575%0.749SS**  57.5111.3117.8-167.30000122
617L23.6Very low24.5Very low139 Ų139131.9 Ų131.973%0.72876%0.756SS**  trans44.4127.5132.2-85.785.9000122.8
618H23Very low24.6Very low162 Ų162130.7 Ų130.775%0.7575%0.749SS**  71.4102.3128.1-78.356.8000122.2
619S23.8Very low24.7Very low92 Ų92130.9 Ų130.964%0.64375%0.751SS**  95.7141101.391.70000121.7
620W22.5Very low24.8Very low227 Ų227129.8 Ų129.886%0.8675%0.746SS**  trans81.7104155.6-71.638000120.9
621N23.8Very low24.9Very low132 Ų132135.2 Ų135.271%0.70675%0.753SS**  44.3133.6115.1-74.22.6000123
622L24.6Very low25.1Very low141 Ų141133 Ų13374%0.73875%0.747SS**  trans70.4155.6148.8-90.758.8000116.3
623E24.4Very low25.4Very low152 Ų152135.7 Ų135.771%0.7175%0.746SS**  cis-156.6144.512.4-146.8158.9-157.300112.5
624T24Very low25.5Very low120 Ų120139.2 Ų139.274%0.73675%0.745SS**  trans59.4163.2152.146.30000120.9
625T24.6Very low25.8Very low99 Ų99138.9 Ų138.961%0.60774%0.743SS**  cis-153.6160.31.4-6.20000111.8
626E30.6Very low26.1Very low171 Ų171142.3 Ų142.380%0.79975%0.746SS**  trans60.5151.1152.9-72.3148.7-158.200118.8
627E25.9Very low26.2Very low168 Ų168146.7 Ų146.779%0.78575%0.746SS**  cis-134.9176.514.5-91.3-160.582.600110.4
628L28.4Very low26.3Very low138 Ų138147.5 Ų147.572%0.72375%0.746SS**  cis-176.1179.1-25.6-174.1128000108.1
629S25.7Very low26.4Very low104 Ų104143 Ų14373%0.72774%0.743SS**  trans73.9116.4179.468.10000116.7
630D27.1Very low26.6Very low136 Ų136147.2 Ų147.273%0.72776%0.757SS**  83.4130.564.4-101.76.5000113.2
631R27.7Very low26.6Very low200 Ų200143.7 Ų143.776%0.75576%0.756SS**  cis-167.4-178.3-5.8-149.2176.9170.8129.9-5.9112.3
632T27.4Very low26.9Very low100 Ų100141.8 Ų141.861%0.61375%0.753SS**  trans76.299.5157.251.90000121.7
633E29.1Very low26.9Very low178 Ų178141.2 Ų141.283%0.83276%0.76SS**  87141.7117.9-72.3162.8-152.100122.2
634D27.6Very low27.3Very low156 Ų156141.9 Ų141.983%0.83477%0.768SS**  trans-108.7167.3-165.8-45.1-91.9000113.4
635S29Very low28.2Very low128 Ų128140.6 Ų140.690%0.89576%0.762SS**  trans-165137140.6380000115.2
636D32.3Very low28.4Very low138 Ų138144.4 Ų144.474%0.73877%0.773SS**  trans-72.7155.8-171.6-80.6-55.2000119.1
637W26.1Very low28.3Very low200 Ų200144 Ų14476%0.75877%0.77SS**  trans55.1151.9133-78111000127.4
638H25.6Very low28.4Very low156 Ų156144.8 Ų144.872%0.72277%0.774SS**  trans62.6104.5143.9-72-55.2000121.9
639G24.4Very low28.3Very low68 Ų68141.4 Ų141.470%0.70177%0.773SS**  66.9124.79400000121.7
640L28.1Very low28.4Very low179 Ų179142 Ų14294%0.93778%0.784SS**  trans64.1120.6161.8-69.8163.5000118.4
641D22.2Very low28.5Very low154 Ų154138.7 Ų138.782%0.82478%0.782SS**  -164.5-169.998.9-154.8-8.4000110.7
642S29.3Very low28.3Very low92 Ų92135.2 Ų135.264%0.64379%0.787SS**  trans-140.9135.6-172.359.30000112.1
643S25.7Very low28.4Very low129 Ų129137.3 Ų137.390%0.90279%0.794SS**  trans177.6163.5149.832.70000113.5
644L32.6Very low28.4Very low165 Ų165135.9 Ų135.986%0.86479%0.791SS**  trans-87.5175.4175.5-74.2169.6000110.2
645P43.2Very low28.4Very low94 Ų94134.6 Ų134.661%0.6179%0.788SS**  cis-150.3-1743243.8-21.6000118.6
646E28.1Very low28.6Very low179 Ų179132.4 Ų132.484%0.83678%0.778SS**  trans54.4149.7141.2-77.1157.9-172.500120.5
647E29Very low28.4Very low161 Ų161130.2 Ų130.275%0.75277%0.774SS**  cis-148.1173.714.9-88.7-146.9106.300112.6
648E28.6Very low28.6Very low185 Ų185128.3 Ų128.386%0.86477%0.773SS**  trans51152.1152.7-71.3-165.614900123
649G26.7Very low28.8Very low67 Ų67127.3 Ų127.369%0.69178%0.778SS**  cis169.4151.9-6.500000114.3
650A26.3Very low28.9Very low116 Ų116128.2 Ų128.296%0.95978%0.779SS**  trans57.3157.4169.300000119.7
651G28.8Very low28.8Very low67 Ų67128.1 Ų128.169%0.69177%0.773SS**  cis152.3144-11.400000113.8
652C25.2Very low29Very low127 Ų127127.8 Ų127.886%0.85877%0.767SS**  trans70161.5167.3-74.40000117.1
653L29Very low28.9Very low144 Ų144131.1 Ų131.175%0.75477%0.772SS**  cis-164.3169.23.2-128170.7000112.6
654L29.4Very low28.9Very low148 Ų148129.4 Ų129.478%0.77577%0.766SS**  trans74146.3161.5-59.2168.9000118.1
655V28.1Very low28.6Very low129 Ų129130.2 Ų130.278%0.78276%0.762SS**  cis-151.2163.5-5.998.50000114.4
656A31.3Very low27.8Very low82 Ų82134.3 Ų134.368%0.67877%0.773SS**  trans-51.6-176.6173.700000118.1
657S29.1Very low27.7Very low92 Ų92136.7 Ų136.764%0.64378%0.775SS**  cis-163.6-168.47.2-136.80000109.6
658E30.1Very low27.6Very low160 Ų160136.4 Ų136.475%0.74877%0.773SS**  cis-159.1136.1-1-131.1135.7-109.500107.2
659V29.3Very low27.5Very low135 Ų135132.7 Ų132.782%0.81876%0.763SS**  79.4143.997.1177.50000118.7
660A26.8Very low27.5Very low88 Ų88139.1 Ų139.173%0.72777%0.766SS**  trans86.3143.8172.900000118.6
661E26.9Very low27.7Very low176 Ų176139.4 Ų139.482%0.82275%0.748SS**  cis-160.3159.3-11.7-116.6-173.7176.800113.7
662H26.4Very low27.6Very low148 Ų148144.7 Ų144.769%0.68575%0.752SS**  trans34.3129.1159.1-86.9-96.3000127.5
663E27.4Very low27.7Very low161 Ų161146.2 Ų146.275%0.75275%0.746SS**  trans26.7141.8136.1-62.4-176.6106.200125.5
664A25.4Very low27.7Very low93 Ų93148.3 Ų148.377%0.76974%0.744SS**  171.5128.2103.900000118.8
665K25.4Very low27.7Very low182 Ų182148 Ų14879%0.79174%0.739SS**  trans38.5121.5138.5-64.3173.4-176.4166.90124.9
666Q27.2Very low27.7Very low180 Ų180146.8 Ų146.884%0.84174%0.736SS**  33.8129.7124.8-67179.1-28.900123.3
667R25.9Very low27.5Very low229 Ų229151 Ų15186%0.86475%0.748SS**  trans172.9162.1130-97163178.2166.43.3108.8
668E25.8Very low27.3Very low155 Ų155150.7 Ų150.772%0.72476%0.758SS**  cis173.4129.7-32.6-112.9-163.1105.700105.5
669V26.9Very low27.2Very low107 Ų107151.6 Ų151.665%0.64876%0.762SS**  trans76.8143.7135.7171.80000121.8
670R26.6Very low27.3Very low203 Ų203151.4 Ų151.477%0.76676%0.755SS**  trans84.7115.7167.7-80.6-179161.81257.2119.1
671E30.1Very low27.3Very low122 Ų122153.9 Ų153.957%0.5776%0.757SS**  78136.168.5-71.7-168.1118.300112.3
672K27.5Very low27.3Very low177 Ų177153 Ų15377%0.7775%0.752SS**  cis-159.1172.3-5.4-126.6170.2-174.1159.50112.8
673Q27.4Very low27.5Very low159 Ų159153.7 Ų153.774%0.74375%0.754SS**  trans-60.5168.9177.3-159.6179.516.800116.2
674R29.1Very low27.6Very low188 Ų188153.5 Ų153.571%0.70975%0.753SS**  trans83.6158.1162.7-58.5-176.4178.6-98.93.9117.7
675E29.8Very low27.8Very low141 Ų141155.7 Ų155.766%0.65975%0.747SS**  cis-169.3178.9-28.9-107.6161.6157.100108.9
676S26.4Very low28Very low105 Ų105153.2 Ų153.273%0.73474%0.741SS**  trans62.7123.615662.40000122.5
677D27.6Very low28.1Very low171 Ų171150.4 Ų150.491%0.91474%0.736SS**  trans12.1140.3132.4-43.4-44.3000121
678G25.6Very low28.3Very low84 Ų84145.5 Ų145.587%0.86673%0.727SS**  trans-178.8106.6172.100000115.1
679E27.9Very low28.4Very low179 Ų179143.4 Ų143.484%0.83673%0.73SS**  trans-85.9174.6-165.6-142.5-172.7167.300116.8
680I30.3Very low28.7Very low131 Ų131143.5 Ų143.567%0.67273%0.727SS**  trans94.5117.2149-67.4157.1000122.9
681N27Very low28.9Very low140 Ų140140.3 Ų140.375%0.74973%0.725SS**  trans25141.2145.1-61.8-35.4000125.6
682E28.3Very low29Very low157 Ų157142 Ų14273%0.73473%0.731SS**  169.3157103.4-90.5-151.8147.700111.5
683K29.1Very low29.2Very low164 Ų164140.2 Ų140.271%0.71372%0.723SS**  cis-170-175.9-26.3-136.6-177.7-150.2154.40109.8
684Q30.5Very low29.2Very low157 Ų157139 Ų13973%0.73472%0.717SS**  trans75.4147.1166.5-58.9-173.8-70.400119.1
685E29.6Very low29.1Very low139 Ų139135.8 Ų135.865%0.6572%0.718SS**  cis-162.1142.2-14.7-113.2172.9-157.800114.3
686I30.4Very low28.9Very low129 Ų129137.7 Ų137.766%0.66272%0.724SS**  trans46.5137.6130.2-64173.7000119.9
687T28.2Very low28.9Very low122 Ų122139.6 Ų139.675%0.74872%0.724SS**  cis-133.9139.939.550.60000114
688N30.8Very low28.8Very low126 Ų126139.9 Ų139.967%0.67472%0.72SS**  63.6139.973.3-6132.7000114.1
689S28.4Very low28.9Very low110 Ų110145.1 Ų145.177%0.76972%0.722SS**  cis-133.2147.724.552.60000112.8
690D33.3Very low28.8Very low110 Ų110145.2 Ų145.259%0.58872%0.723SS**  cis94.3110.642.8-85.8-44.6000116.3
691N30.8Very low29.2Very low135 Ų135143.7 Ų143.772%0.72272%0.721SS**  168.9112.7125.1-92.3-63000111
692F31.8Very low29.1Very low159 Ų159141.7 Ų141.770%0.69772%0.718SS**  7914489.6-88.1-137.4000114.3
693K31.7Very low29Very low138 Ų138141.8 Ų141.860%0.672%0.716SS**  cis-171.4168-11.7-122.2-167.2178.9-145.10106.7
694E26.6Very low28.8Very low134 Ų134141 Ų14163%0.62672%0.715SS**  cis-144.9-166.7-7.2-169.7128.3-113.700104.7
695V26.6Very low28.5Very low120 Ų120140.7 Ų140.773%0.72772%0.719SS**  cis-165.1134.439.2-174.80000105.3
696K25.7Very low28.3Very low181 Ų181142.6 Ų142.679%0.78773%0.731SS**  61.7139.176.6-119.6-168.9173.7-169.20113.5
697I26.9Very low27.9Very low145 Ų145140.9 Ų140.974%0.74474%0.737SS**  cis-144.8161.530.8-73.7175.7000111.3
698E26.6Very low27.8Very low177 Ų177140.4 Ų140.483%0.82774%0.738SS**  trans-96.3154.6173-52.7159.2120.700112.2
699E26.3Very low27.6Very low194 Ų194144.6 Ų144.691%0.90775%0.751SS**  trans-172143143.8-111.1164.2-15800113.6
700E26.6Very low27.5Very low181 Ų181142.2 Ų142.285%0.84674%0.744SS**  trans-108.1-164.1158.9-55.3-164.6151.700108
701P39.1Very low27.4Very low99 Ų99146.3 Ų146.364%0.64376%0.759SS**  cis-141.9176.9-8.842.3-24.2000117.2
702S24Very low27.2Very low98 Ų98145 Ų14569%0.68576%0.761SS**  trans75.3162.5142.978.20000122.3
703K27Very low27.3Very low159 Ų159141.5 Ų141.569%0.69176%0.756SS**  trans72.5153.6163.6-68.5-175.2166.9-70.90117.6
704E25.1Very low27.3Very low148 Ų148141.5 Ų141.569%0.69276%0.758SS**  cis-166.1172.3-26.9-115.4158-157.500106.8
705D22.8Very low27.6Very low151 Ų151142.3 Ų142.381%0.80776%0.762SS**  trans-67.4154.6-177.7-52.9-91.9000115.3
706I25.5Very low27.7Very low178 Ų178141.7 Ų141.791%0.91376%0.759SS**  -180151.7128.9-94.3156000110.7
707A23Very low27.7Very low94 Ų94138.4 Ų138.478%0.77775%0.754SS**  trans-128.4149.6-173.400000114.5
708S24.6Very low28Very low111 Ų111140.7 Ų140.778%0.77676%0.761SS**  trans-168.7137.6155.351.50000108.9
709F26.6Very low28.1Very low215 Ų215135.5 Ų135.594%0.94376%0.755SS**  cis75.3141.942.9-87.8-83.5000116.5
710G27.8Very low28.4Very low60 Ų60134.4 Ų134.462%0.61975%0.747SS**  trans133.281.6-174.300000110.8
711E29.3Very low28.7Very low195 Ų195133 Ų13391%0.91174%0.74SS**  74.9139.983.6-71.7-173.215700113.9
712S27.6Very low28.3Very low108 Ų108135.2 Ų135.276%0.75575%0.747SS**  cis-143-159.42.250.60000108.5
713S33.9Very low28.6Very low86 Ų86136.6 Ų136.660%0.60174%0.743SS**  cis-169.1173.87.9-133.70000107.7
714Q32.1Very low28.6Very low138 Ų138137.7 Ų137.765%0.64574%0.743SS**  cis-164.3151.6-4.2-141.6162.3-51.100110.4
715E31.6Very low28.7Very low151 Ų151137.5 Ų137.571%0.70674%0.743SS**  trans59.4151.4146.7-80.4161.5-144.900122.7
716T28.8Very low28.9Very low107 Ų107137.5 Ų137.566%0.65674%0.736SS**  cis-152.7162.611.5-9.80000113.7
717T27.5Very low29Very low112 Ų112134.2 Ų134.269%0.68772%0.72SS**  trans60.1112155.548.40000120.4
718E31.3Very low29.2Very low193 Ų193137.4 Ų137.490%0.90273%0.725SS**  83.8132.981.9-78-169.4147.700115.6
719G29.3Very low29.4Very low67 Ų67135.3 Ų135.369%0.69172%0.72SS**  cis166.1157.7-12.200000115.4
720K33.3Very low29.5Very low172 Ų172133.3 Ų133.375%0.74871%0.711SS**  trans67.2164161.2-63.4176.7159.1-77.30119.1
721E32.5Very low29.6Very low150 Ų150135.8 Ų135.870%0.70171%0.71SS**  cis-174.8162.5-24.2-97.4160.9-178.500107.1
722D30.1Very low29.6Very low147 Ų147135.2 Ų135.279%0.78671%0.708SS**  cis-171176.7-26-170.822.4000110.4
723E32Very low29.6Very low126 Ų126133 Ų13359%0.58970%0.702SS**  trans79.1132.8160.2-79.7-142.612900124.5
724R26.3Very low29.3Very low183 Ų183134 Ų13469%0.69170%0.704SS**  trans84.4124137.2-78.9-177.7-154.4-91-22.5125.6
725M27.2Very low29.2Very low143 Ų143135.9 Ų135.970%0.70471%0.713SS**  79.8113.2122.3-65.7-90.3-87.300123.8
726K26.8Very low29.2Very low152 Ų152132.9 Ų132.966%0.66171%0.709SS**  67.8143.7123.3-93.9-178.3141.6-72.30124.8
727D28.2Very low29.1Very low108 Ų108135.9 Ų135.958%0.57872%0.715SS**  trans74.8138.9145.9-58.6-14.4000122.7
728D27Very low29.2Very low162 Ų162138.9 Ų138.987%0.86672%0.721SS**  trans30.5144.3147.1-54.1-20.4000122.5
729G27.4Very low29.1Very low67 Ų67135.3 Ų135.369%0.69171%0.713SS**  cis152.1175.8-3.900000113.9
730K29.2Very low28.9Very low173 Ų173136.1 Ų136.175%0.75271%0.713SS**  trans69.9141158.1-82.2-174.5141.6-68.90122.7
731D30.5Very low28.6Very low111 Ų111134 Ų13459%0.59471%0.714SS**  trans55.5151.9138.8-49.1-7.3000120.2
732E29.6Very low28.4Very low184 Ų184134.1 Ų134.186%0.8672%0.719SS**  cis-160.6-170.7-9.8-123.8-175.4-152.100108.7
733G27.5Very low28.3Very low61 Ų61134.9 Ų134.963%0.62972%0.718SS**  trans120.743.2145.100000122
734T27.6Very low28.1Very low106 Ų106136.3 Ų136.365%0.6572%0.724SS**  33.7119.4120.7-49.40000121.8
735Q30.1Very low28.3Very low179 Ų179136.1 Ų136.184%0.83673%0.731SS**  trans69.9163.5151.6-64.2165.8-9.300118
736S30.1Very low28.6Very low88 Ų88136.5 Ų136.562%0.61573%0.731SS**  cis-145.516513.4-490000113.9
737E28.4Very low28.5Very low170 Ų170133 Ų13379%0.79474%0.739SS**  trans63132145.9-71.2155.117900119.7
738E28.7Very low28.6Very low174 Ų174135.1 Ų135.181%0.81374%0.743SS**  79139.952.5-77.2-141.3134.600114.2
739V28.6Very low28.7Very low118 Ų118132.7 Ų132.772%0.71573%0.734SS**  cis-164.4172.9-13.6980000110.1
740A26.2Very low28.7Very low85 Ų85137 Ų13770%0.70274%0.741SS**  trans67.5167159.500000120.3
741V27Very low28.6Very low128 Ų128136.2 Ų136.278%0.77675%0.745SS**  cis-163.1153.7-41.1136.70000108.3
742L28.8Very low28.6Very low151 Ų151137.2 Ų137.279%0.79176%0.755SS**  trans-12.6141.6165.5-50167.3000119.5
743Q27.6Very low28.5Very low163 Ų163136 Ų13676%0.76275%0.749SS**  175.8130.1104.9-94.4-175.7-68.900116.2
744E27.8Very low28.6Very low156 Ų156141.3 Ų141.373%0.72976%0.758SS**  47.1121.8126.8-68.4165.2163.300125.8
745E30.5Very low28.6Very low180 Ų180143 Ų14384%0.84176%0.763SS**  84.6138.6128.8-65.6-145.8142.800127.7
746E31.9Very low28.6Very low151 Ų151143.3 Ų143.371%0.70676%0.764SS**  trans44.7132158.2-73.5-127.9129.100124.6K748E746-K748 VanDerWaalsContact CD-NZ 3.31Å; E746-K748 IonicContact OE1-NZ 3.62Å; E746-K748 PolarHBondContact OE1-NZ 3.15Å; E746-K748 IonicContact OE2-NZ 3.43Å; E746-K748 PolarHBondContact OE2-NZ 3.4Å
747G25.3Very low28.4Very low79 Ų79145.8 Ų145.881%0.81478%0.776SS**  trans-161.1143.5161.700000110.5
748K31.1Very low28.3Very low151 Ų151145.6 Ų145.666%0.65777%0.772SS**  trans-137.9157.9-151.7-136.3177.7-156.1100.70115.8E746E746-K748 VanDerWaalsContact CD-NZ 3.31Å; E746-K748 IonicContact OE1-NZ 3.62Å; E746-K748 PolarHBondContact OE1-NZ 3.15Å; E746-K748 IonicContact OE2-NZ 3.43Å; E746-K748 PolarHBondContact OE2-NZ 3.4Å
749T29Very low28.3Very low112 Ų112144.1 Ų144.169%0.68777%0.765SS**  trans75.5128.8162.269.40000120.7
750N27.1Very low28.2Very low157 Ų157145.5 Ų145.584%0.8476%0.764SS**  -174.9168.496.1-95.6-60.7000114.1
751N27.9Very low28.2Very low156 Ų156147.7 Ų147.783%0.83476%0.762SS**  trans-103.4163.2-177.9-96.8-32.3000112.7
752V29.4Very low28.2Very low132 Ų132149.1 Ų149.180%0.876%0.757SS**  165106.7127.6157.20000112.7
753Q28Very low28.3Very low160 Ų160149.1 Ų149.175%0.74875%0.753SS**  25.7125.5130-176.2177.5-2.500121.9
754E29.5Very low28.4Very low171 Ų171147.1 Ų147.180%0.79975%0.752SS**  -170.9122.1124.9-109.2-178.6-179.700116.8
755N26.5Very low28.5Very low142 Ų142148.3 Ų148.376%0.75976%0.758SS**  trans42.9158.7137-59.7-14.9000126.7
756E30.3Very low28.6Very low185 Ų185146.8 Ų146.886%0.86475%0.748SS**  trans-97.8151.1-176.3-48.8168.5107.300114.8
757T25.8Very low28.6Very low140 Ų140144.8 Ų144.886%0.85974%0.743SS**  trans171141.9136.726.10000108.7
758K27Very low28.8Very low166 Ų166146 Ų14672%0.72273%0.734SS**  cis105.3130.413.7-155.8174.9-172.5-920113.8
759E28.3Very low28.7Very low143 Ų143145.7 Ų145.767%0.66874%0.74SS**  trans71.6150.5169.7-73.4154.3-150.400117.3
760E26.8Very low28.7Very low148 Ų148147.7 Ų147.769%0.69275%0.746SS**  cis-156.9158.2-11.2-130.9-174.617800116
761M26.5Very low28.8Very low131 Ų131147 Ų14765%0.64574%0.743SS**  trans25.3142.2144.6-81-165.3-150.200127.3
762K27.8Very low28.7Very low158 Ų158145 Ų14569%0.68774%0.74SS**  trans72.8169.3136.1-72.7170164.5-164.80119.6
763E31Very low28.6Very low151 Ų151144.3 Ų144.371%0.70674%0.737SS**  cis-146.4126.77.2-145.2145-131.700109.5
764T28.8Very low28.6Very low121 Ų121144.5 Ų144.574%0.74274%0.738SS**  64.1128.487.8-40.60000117.6
765Q29.6Very low28.4Very low180 Ų180141.9 Ų141.984%0.84173%0.734SS**  trans175.1150.2146-97.5-170.216.400110.6
766K33.2Very low28.5Very low149 Ų149141.6 Ų141.665%0.64873%0.731SS**  cis-168.7164.9-23.6-145.3174.5157.4-78.50111.7
767D30.9Very low28.2Very low109 Ų109138.6 Ų138.658%0.58372%0.721SS**  trans77.5142.4151.3-69-34.9000121.4
768T29.6Very low28.3Very low103 Ų103138.4 Ų138.463%0.63271%0.714SS**  cis-154.3142.604.20000112.5
769N29.1Very low28.1Very low145 Ų145138.8 Ų138.878%0.77572%0.716SS**  trans60.2156.8149.8-58.4-3.8000118.8
770N28.8Very low28Very low155 Ų155137.6 Ų137.683%0.82972%0.722SS**  cis-145.3179.619.2-147.418.3000113.6
771D29.2Very low28.1Very low142 Ų142136.9 Ų136.976%0.75973%0.727SS**  trans-86.2175.2-162.3-1572.1000117.1
772S26.8Very low28.2Very low113 Ų113136.6 Ų136.679%0.7973%0.728SS**  trans124.3154.6151.872.30000118.7
773T27.8Very low28.2Very low119 Ų119138.4 Ų138.473%0.7373%0.731SS**  trans-135160.7-157.350.40000114.1
774E28.1Very low28.3Very low164 Ų164136.2 Ų136.277%0.76672%0.721SS**  trans69.2132145.9-84.9-174.3163.400122.2
775T25.1Very low28.3Very low116 Ų116136.6 Ų136.671%0.71272%0.718SS**  trans70.8156.7143.265.80000119.5
776L27.8Very low28.4Very low135 Ų135134.3 Ų134.371%0.70771%0.711SS**  cis-161.8159-14.7-109.1165.4000111
777N25Very low28.1Very low123 Ų123133.7 Ų133.766%0.65871%0.714SS**  trans58.7121.5145.4-75.2-14.8000125.1
778L26.3Very low28Very low135 Ų135134.5 Ų134.571%0.70772%0.718SS**  73.5136.1127.8-91.671.7000124.8
779K23.9Very low27.9Very low175 Ų175137 Ų13776%0.76173%0.728SS**  trans88.497.8136.8-81.8-178.6173.7179.80123.3
780C26Very low27.8Very low117 Ų117135.1 Ų135.179%0.79173%0.726SS**  67.2174.6110.7-61.90000122.7
781V28.3Very low27.8Very low133 Ų133134.3 Ų134.381%0.80673%0.726SS**  trans87.5119.6171.3-174.50000114.1
782N29.3Very low27.6Very low125 Ų125130.7 Ų130.767%0.66872%0.722SS**  cis-148-154.6-9-129.242.5000109E784N782-E784 PolarHBondContact ND2-OE1 3.31Å; N782-E784 VanDerWaalsContact ND2-OE1 3.16Å
783R28.7Very low27.5Very low196 Ų196134.6 Ų134.674%0.7473%0.728SS**  cis-156.2165.813.4-146-153.5163.6149.9-5113.1
784E32Very low28.1Very low106 Ų106133.9 Ų133.950%0.49573%0.725SS.*  trans-20.2154.9148.8-72131.7-105.500119.2N782N782-E784 PolarHBondContact ND2-OE1 3.31Å; N782-E784 VanDerWaalsContact ND2-OE1 3.16Å
785D30.1Very low28Very low129 Ų129134.1 Ų134.169%0.6973%0.726SS**  cis-144.4-175.817.6-85.4-45.7000109.3
786L29.9Very low28.1Very low132 Ų132134.8 Ų134.869%0.69173%0.725SS**  cis-178164.7-33.9-79.7174000104.3
787L28.3Very low28Very low136 Ų136135.3 Ų135.371%0.71273%0.729SS**  cis-166.7-174.8-13.1-100.1173.8000106
788L27.5Very low28.1Very low126 Ų126133.5 Ų133.566%0.6673%0.731SS**  cis-156124.53.8-134.3-175.3000110.1
789N27.8Very low28.1Very low156 Ų156133.2 Ų133.283%0.83474%0.735SS**  trans48.4163.4149.9-70.98.2000126.4
790S27.3Very low28.3Very low105 Ų105131 Ų13173%0.73474%0.736SS**  trans-114166.2175.854.10000113
791V28.3Very low29.5Very low138 Ų138130.7 Ų130.784%0.83673%0.732SS**  trans155.6125.8132.7159.70000112.8
792G24.8Very low30.5Very low65 Ų65129.5 Ų129.567%0.6773%0.728SS**  trans66.8109134.300000123.3
793E25.2Very low30.3Very low195 Ų195131.8 Ų131.891%0.91173%0.734SS**  trans60.1162.8137-77.2-173.2176.400121.6
794P40.6Very low31.4Very low104 Ų104127 Ų12768%0.67573%0.728SS**  cis-134.6173-28.236.8-19.6000115
795Q26.5Very low31.2Very low169 Ų169128.6 Ų128.679%0.7974%0.741SS**  trans57.1134.1144.3-85.6-177-13.400124.7
796N26.9Very low31.1Very low130 Ų130128.8 Ų128.870%0.69574%0.742SS**  trans99.5138142.3-64.4-1.1000122.9
797D25.6Very low31Very low147 Ų147127.9 Ų127.979%0.78674%0.741SS**  trans65.694.1152.4-62.6-29.8000124.1
798A27.1Very low31Very low85 Ų85127.2 Ų127.270%0.70274%0.743SS**  83.8154.1107.900000123.3
799T25.7Very low31.1Very low129 Ų129125 Ų12579%0.79174%0.742SS**  trans88.782.1152.7-350000120
800V29Very low30.9Very low127 Ų127126.2 Ų126.277%0.7774%0.743SS**  9.1149.8115.8-165.90000117.7
801P51.3Low31Very low111 Ų111126.5 Ų126.572%0.72175%0.745SS**  cis-120.5-135-38.240.8-20.9000108.2
802P48.9Very low30.9Very low109 Ų109129.9 Ų129.971%0.70875%0.749SS**  cis-130.8-174.7-25.335-13.3000115.6
803E24.9Very low31.8Very low173 Ų173132 Ų13281%0.80875%0.75SS**  trans-17172.5136-99.6175.8-179.200119.5
804P51.1Low33.1Very low95 Ų95128 Ų12862%0.61774%0.742SS**  cis-142.2-158-1.726.51.3000115
805D28.6Very low32.8Very low140 Ų140129.1 Ų129.175%0.74975%0.749SS**  trans102.3139.3136.9-72.4-18.7000124.3
806D27.1Very low32.8Very low133 Ų133125.6 Ų125.671%0.71174%0.743SS**  trans60.6122.5154.5-78.3-1.6000122.3
807V28.6Very low33Very low113 Ų113128 Ų12869%0.68575%0.75SS**  73.7122.859.51740000110
808T27.8Very low33.1Very low122 Ų122128.2 Ų128.275%0.74875%0.746SS**  -168.3163.259.9-21.10000112.1
809A30.2Very low33.2Very low78 Ų78131.6 Ų131.665%0.64575%0.745SS**  trans54.9155.6132.400000122
810E24.1Very low33.2Very low182 Ų182133.3 Ų133.385%0.8574%0.744SS**  cis-163.2-165.4-8.4-118.7-176.6151.500111.4
811S29.6Very low33.2Very low112 Ų112131.8 Ų131.878%0.78374%0.739SS**  trans65.5108.4166.954.20000116.8
812K26.3Very low32.1Very low208 Ų208132.4 Ų132.490%0.90474%0.736SS**  cis67.9149.845.6-90.1-164.5171.71750115.1
813P42.4Very low31.1Very low109 Ų109134.6 Ų134.671%0.70874%0.735SS**  trans-124.6-142.1-135.346.2-30.1000111.1
814P52.7Low31.5Very low113 Ų113131.9 Ų131.973%0.73473%0.73SS**  cis-112.1-150.1-33.334.6-13.4000110.1
815P35.5Very low30.8Very low127 Ų127133.2 Ų133.283%0.82574%0.739SS**  -149.5-156.771.241.9-19.6000115.1
816S25.8Very low30.9Very low94 Ų94133.8 Ų133.866%0.65774%0.735SS**  trans-125.2150.9-158.752.20000116.2
817E30.7Very low30.9Very low182 Ų182136.1 Ų136.185%0.8574%0.738SS**  trans62.2168.8137.9-67-175.8144.100123.5
818E26.9Very low30.9Very low151 Ų151136 Ų13671%0.70673%0.731SS**  trans89.3111.8176.7-50.6-149.3136.700117.1
819K29.1Very low30.8Very low155 Ų155137.5 Ų137.567%0.67473%0.729SS**  75.6145.195.2-66.6167.7-168.8164.50114.6
820E27.6Very low30.7Very low165 Ų165141.4 Ų141.477%0.77173%0.734SS**  cis-170.1177.9-6.1-114.8177.591.400107.9
821S28Very low30.6Very low95 Ų95135.6 Ų135.666%0.66472%0.723SS**  cis-167.9173.7-1.849.10000111.5
822D27.6Very low30.9Very low124 Ų124136.7 Ų136.766%0.66373%0.727SS**  trans82.2140.4146.9-144.78.9000124.7
823K28Very low31Very low155 Ų155137.7 Ų137.767%0.67473%0.725SS**  trans66.596.2157.2-86.6149.3-162.9142.70126.7
824T33.3Very low30.2Very low117 Ų117138.1 Ų138.172%0.71873%0.725SS**  52.5160.5115.956.60000123.5
825P36.7Very low28.9Very low122 Ų122139.6 Ų139.679%0.79273%0.733SS**  cis-116.1172.1-2.540.2-28.7000113.4
826K30.7Very low28.4Very low153 Ų153138.6 Ų138.667%0.66573%0.729SS**  cis119.81011.3-164.4-176.6-161.4-72.20113.9E828K826-E828 IonicContact NZ-OE1 3.36Å; K826-E828 PolarHBondContact NZ-OE1 3.11Å; K826-E828 IonicContact NZ-OE2 2.8Å
827K27.7Very low29Very low181 Ų181139.6 Ų139.679%0.78773%0.733SS**  trans177.5133.1139.4-92.6-160.6170-172.20108.1
828E27.9Very low29.8Very low112 Ų112135.7 Ų135.752%0.52372%0.724SS.*  70.6132.151.9-61.1162.8-174.100111.9K826K826-E828 IonicContact NZ-OE1 3.36Å; K826-E828 PolarHBondContact NZ-OE1 3.11Å; K826-E828 IonicContact NZ-OE2 2.8Å
829E27.1Very low29.9Very low152 Ų152134.4 Ų134.471%0.7173%0.728SS**  cis-166.6-174.8-12.3-126.1175.186.400107.4
830Q26.2Very low29.7Very low161 Ų161135.9 Ų135.975%0.75274%0.735SS**  cis-154.1-172.510-156.4167.581.300110.3
831G23.7Very low29.7Very low60 Ų60133.8 Ų133.862%0.61973%0.733SS**  trans-84.8-148.6160.400000113
832P35.6Very low29.6Very low134 Ų134136.6 Ų136.687%0.8774%0.74SS**  cis-134-141.912.743.6-24.5000114.4
833R27.2Very low29.8Very low229 Ų229135.5 Ų135.586%0.86474%0.742SS**  trans-139.1155.8-161.2-130.6-173-175.3177.81.9111.7
834V27.2Very low29.7Very low118 Ų118132.9 Ų132.972%0.71575%0.749SS**  trans68.7121.8152.7176.60000119.9
835T23.7Very low29.5Very low144 Ų144133.7 Ų133.788%0.88375%0.753SS**  -172.2176.6124.417.40000112
836S26.1Very low29Very low106 Ų106131.8 Ų131.874%0.74175%0.748SS**  trans-141.1-167.4-17266.50000109.8
837P38.9Very low28.9Very low116 Ų116134.8 Ų134.875%0.75376%0.755SS**  cis-128.2-106-4.3235.1000116.8
838P46.8Very low28.9Very low100 Ų100135.9 Ų135.965%0.64976%0.76SS**  -127.4174-129.543-24.6000117.3
839P29.6Very low28.9Very low124 Ų124138.6 Ų138.681%0.80577%0.773SS**  -140.9165.8101.937.8-24.9000113.8
840K24.5Very low28.7Very low185 Ų185137.9 Ų137.980%0.80478%0.783SS**  cis109.5141.76.2-152179.1-162.9-177.90114.7
841V26.7Very low28.8Very low122 Ų122138.7 Ų138.774%0.73979%0.787SS**  trans80.8114178.3-168.40000113.2
842L26.6Very low29.6Very low154 Ų154140.5 Ų140.581%0.80679%0.788SS**  76.4154.151.4-62.1166.7000113.9
843S30.8Very low29.1Very low101 Ų101143.7 Ų143.771%0.70679%0.791SS**  cis-173.7158.1-33.760.70000109.1
844A26.9Very low29.1Very low99 Ų99136 Ų13682%0.81878%0.782SS**  trans-171.1157.4162.900000112.5
845V28.2Very low29.1Very low134 Ų134138.1 Ų138.181%0.81278%0.784SS**  -158.7155.8-53.6118.80000109.6
846A27.3Very low29.2Very low82 Ų82139.3 Ų139.368%0.67878%0.78SS**  trans-75.3160.4-166.500000118
847R28Very low29.1Very low216 Ų216137 Ų13782%0.81577%0.773SS**  -175.3152.6125.9-93157.2-168.4119.4-5.3108.2
848F27.4Very low28.4Very low204 Ų204140.8 Ų140.890%0.89578%0.778SS**  cis-127.9179.334.8-100.6-98.2000115
849Q27.3Very low27.4Very low169 Ų169144 Ų14479%0.7978%0.784SS**  trans-125.2157.6178.5-65.5174.8-3700111.7
850C23.6Very low27.1Very low138 Ų138145.5 Ų145.593%0.93278%0.784SS**  trans-148162.8141.9-130.20000109.6
851Q28.6Very low27Very low178 Ų178147.3 Ų147.383%0.83279%0.786SS**  trans-126174.7-158.1-98.4-152.8-24.600115.5
852P40.3Very low26.9Very low97 Ų97147.1 Ų147.163%0.6379%0.791SS**  trans-124.4173.1-150.844.7-34.9000117
853H25.9Very low26.7Very low202 Ų202145.8 Ų145.894%0.93579%0.789SS**  trans-145153.4154.3-76-18.5000109.1
854G25.8Very low26.4Very low67 Ų67145.4 Ų145.469%0.69179%0.786SS**  cis178.7141.9-8.500000113.7
855Q28.1Very low26.3Very low162 Ų162150.2 Ų150.276%0.75779%0.788SS**  trans46.2127.1153.5-67.4-179.9-72.400124.2
856Q26.2Very low26.1Very low170 Ų170151.1 Ų151.179%0.79479%0.788SS**  61.1154.8125.9-60.2169.2-18.300120.5
857G23.5Very low26Very low57 Ų57153 Ų15359%0.58880%0.797SS**  cis161.5162.9-5.600000112.5
858F24.1Very low25.9Very low195 Ų195147.5 Ų147.586%0.85580%0.797SS**  trans64142.4177.9-60.7-88.7000115.9
859Q25.2Very low25.8Very low169 Ų169145.8 Ų145.879%0.7979%0.792SS**  cis77.2100.24.5-133.8-147.598.300119.2
860L23.4Very low26.2Very low154 Ų154143.7 Ų143.781%0.80679%0.793SS**  trans172.4131.1150.3-91.8149.7000106.9
861R23.4Very low26.3Very low223 Ų223140.7 Ų140.784%0.84278%0.779SS**  cis97.582.415.4-163.7-160.8-166.6-161.17116.2
862S24.3Very low26Very low119 Ų119140.7 Ų140.783%0.83278%0.783SS**  trans-177.8159.8158.951.70000112.6
863V22.7Very low25.2Very low126 Ų126147 Ų14776%0.76480%0.795SS**  cis-171.1136.7-47.7126.60000110.1
864S23.5Very low25Very low93 Ų93143.1 Ų143.165%0.6579%0.788SS**  trans54.9133.9161.471.40000122.6
865K26Very low24.9Very low200 Ų200149 Ų14987%0.8779%0.79SS**  -173.3170.7103.1-103.1174-178.6176.50113.4
866N23.5Very low24.7Very low152 Ų152146.9 Ų146.981%0.81378%0.78SS**  trans-111.5150.2-162-46.7-12.6000113.5
867S25.2Very low24.6Very low122 Ų122146.3 Ų146.385%0.85378%0.775SS**  trans166.7149.8145.253.30000110.3
868A25.1Very low24.6Very low100 Ų100149.2 Ų149.283%0.82678%0.781SS**  cis-162.7163.9-19.400000108.5
869E25.8Very low24.7Very low169 Ų169148.6 Ų148.679%0.7978%0.781SS**  trans-80.6163.8174.1-142.2-174.2-121.400111.3
870P36.1Very low24.6Very low125 Ų125146.5 Ų146.581%0.81278%0.779SS**  -145.9153.790.138.4-22.9000116
871A24.7Very low25.4Very low75 Ų75144.1 Ų144.162%0.6277%0.773SS**  trans-87.9164.5172.800000114
872L24.1Very low25.4Very low178 Ų178138.2 Ų138.293%0.93277%0.765SS**  trans-141.8151.5153.1-106.9173.8000110.8
873R23.2Very low25.4Very low230 Ų230139.9 Ų139.987%0.86876%0.76SS**  trans-109.1170.1-172.4-74.5177.9164.8178.5-4.6112.4
874C22.1Very low25.5Very low119 Ų119140.2 Ų140.280%0.80476%0.757SS**  trans112.6150.7142.4-67.20000117.4
875R23.9Very low25.5Very low190 Ų190142.6 Ų142.672%0.71776%0.762SS**  cis-179.2131.3-21.8172.8174.8-179.7-167.5-5.6110.2
876E22.9Very low25.5Very low119 Ų119136.9 Ų136.956%0.55675%0.752SS**  trans61.3170.4164-73.2167.8-15300115.3
877K24.4Very low25.7Very low158 Ų158136.1 Ų136.169%0.68775%0.748SS**  cis-154.4132.8-5-122.8156.3-176.1156.30107
878V23.6Very low25.7Very low118 Ų118140.4 Ų140.472%0.71575%0.746SS**  80.6144.896.6166.80000116.9
879Q25.3Very low25.7Very low182 Ų182142.9 Ų142.985%0.8575%0.745SS**  trans90.2102.7160.8-90.8153.9-16.200122
880T22.6Very low25.8Very low124 Ų124139.4 Ų139.476%0.76175%0.745SS**  trans-56.1-175.114051.80000113.8
881P41.5Very low25.4Very low105 Ų105143.1 Ų143.168%0.68275%0.751SS**  cis-135.1-162.5-7.632.3-8.4000114.3
882C23.1Very low25.5Very low99 Ų99144.5 Ų144.567%0.66976%0.763SS**  trans73.4155.4151.1-66.80000118.6
883E23.3Very low25.7Very low154 Ų154141.8 Ų141.872%0.7276%0.759SS**  cis-160.4157.2-6.7-119.4162.9-14500112.9
884L25.3Very low26.1Very low133 Ų133140.1 Ų140.170%0.69676%0.761SS**  trans48.8140.4143-71.3163.4000125.6
885D24.6Very low26.4Very low142 Ų142144 Ų14476%0.75977%0.767SS**  trans85.7107.8132.8-77.1-16.1000125.3
886A26.3Very low26.7Very low81 Ų81142.9 Ų142.967%0.66977%0.77SS**  105.1123.610700000122.8
887N25.9Very low27.2Very low135 Ų135144.7 Ų144.772%0.72278%0.784SS**  trans81.3127.5136.7-94.3-53.9000122.6
888R26.3Very low27.8Very low213 Ų213147.5 Ų147.580%0.80479%0.79SS**  trans71.9150147.5-67.6174.6-173.6-174.6-2.4116.8
889N25.9Very low28.6Very low152 Ų152147.2 Ų147.281%0.81379%0.791SS**  cis-139.3173.39.2-120.7-2.7000111.3
890A28Very low29.4Very low95 Ų95144.3 Ų144.379%0.78579%0.787SS**  trans-81.7151.1177.700000113.3
891E26.1Very low30.4Very low203 Ų203143.1 Ų143.195%0.94978%0.775SS**  trans-149142.6151.5-129.6163.1-142.500108.4
892A27.4Very low30.8Very low104 Ų104145 Ų14586%0.8677%0.773SS**  trans-112.8141.4-177.600000109.9
893S29.1Very low31.6Very low121 Ų121144.4 Ų144.485%0.84677%0.766SS**  trans-144.1156.7172.554.80000110.3
894E30.7Very low32.5Very low196 Ų196140.8 Ų140.892%0.91676%0.758SS**  trans-84.8133.6-162.2-61.9160.8134.300111.3E896E894-E896 PolarHBondContact O-N 2.84Å
895E28.9Very low33.2Very low200 Ų200138.6 Ų138.694%0.93574%0.744SS**  trans-87.2107.6176.7-169.9162.8-144.800110.4
896E29.6Very low34.1Very low167 Ų167135.8 Ų135.878%0.7873%0.728SS**  trans-85.1118.7-177.2-167.8178.5-139.100110.9E894 R898E894-E896 PolarHBondContact O-N 2.84Å; E896-R898 PolarHBondContact O-N 3.11Å
897D34.4Very low34.6Very low157 Ų157138.3 Ų138.384%0.8472%0.724SS**  trans-60.3122.5-172.4-171.512000112.7
898R36.5Very low35.3Very low217 Ų217139 Ų13982%0.81972%0.721SS**  trans-105.8129.3-174.3-72.3-172.4176.8-178.41.1111.7E896E896-R898 PolarHBondContact O-N 3.11Å
899P40.9Very low36.3Very low112 Ų112136.5 Ų136.573%0.72771%0.711SS**PPolyproline II helixtrans-67.8151.4-17628.8-35.9000112.6
900P40.6Very low36.8Very low121 Ų121136.4 Ų136.479%0.78670%0.704SS**PPolyproline II helixtrans-64136.7-177.925.1-34.3000112.7
901I45.1Very low37.2Very low99 Ų99138 Ų13851%0.50870%0.695SS.*PPolyproline II helixtrans-64.9135.5-177.9-61.4174.4000110.4E905I901-E905 HydrophobicContact CG2-CB 3.94Å
902K49.1Very low37.5Very low145 Ų145135 Ų13563%0.6371%0.705SS**PPolyproline II helixtrans-82.7146.4-178.5-67.1175.9-178.71740111.4S904 E905 L906K902-S904 PolarHBondContact O-N 3.35Å; K902-S904 VanDerWaalsContact O-N 3.08Å; K902-E905 WeakPolarHBondContact O-CB 3.23Å; K902-E905 PolarHBondContact O-N 3.43Å; K902-L906 PolarHBondContact O-N 3.28Å
903V39.7Very low38Very low86 Ų86136.6 Ų136.652%0.52170%0.697SS.*Hα-helixtrans-56.9-27.7177.9-177.60000112.5E905 L906 K907V903-E905 VanDerWaalsContact C-N 3.34Å; V903-E905 PolarHBondContact O-N 2.93Å; V903-L906 WeakPolarHBondContact O-CB 3.42Å; V903-L906 PolarHBondContact O-N 3.25Å; V903-K907 PolarHBondContact O-N 2.91Å
904S42.2Very low38.4Very low78 Ų78137.4 Ų137.455%0.54569%0.689SS.*Hα-helixtrans-67.1-27.5172.749.70000114.4K902 K908K902-S904 PolarHBondContact O-N 3.35Å; K902-S904 VanDerWaalsContact O-N 3.08Å; S904-K908 PolarHBondContact O-N 3.16Å; S904-K908 VanDerWaalsContact O-N 3.15Å
905E39.3Very low38.9Very low86 Ų86134.1 Ų134.140%0.40268%0.677SS.*Hα-helixtrans-79.6-35171.7-67.8-17793.100111.8I901 K902 V903 K907 K908 R909I901-E905 HydrophobicContact CG2-CB 3.94Å; K902-E905 WeakPolarHBondContact O-CB 3.23Å; K902-E905 PolarHBondContact O-N 3.43Å; V903-E905 VanDerWaalsContact C-N 3.34Å; V903-E905 PolarHBondContact O-N 2.93Å; E905-K907 VanDerWaalsContact C-N 3.34Å; E905-K908 PolarHBondContact O-N 3.23Å; E905-R909 WeakPolarHBondContact O-CB 3.24Å; E905-R909 WeakPolarHBondContact O-CG 3.12Å; E905-R909 PolarHBondContact O-N 3.35Å
906L44Very low39.4Very low83 Ų83130.2 Ų130.244%0.43566%0.662SS.*Hα-helixtrans-57.7-48.4168.3-83.6162.3000110.3K902 V903 K908 R909 F910K902-L906 PolarHBondContact O-N 3.28Å; V903-L906 WeakPolarHBondContact O-CB 3.42Å; V903-L906 PolarHBondContact O-N 3.25Å; L906-K908 PolarHBondContact O-N 2.82Å; L906-R909 CarbonylContact O-C 3.45Å; L906-R909 PolarHBondContact O-N 3.23Å; L906-R909 VanDerWaalsContact O-N 3.09Å; L906-F910 WeakPolarHBondContact O-CD2 3.3Å; L906-F910 PolarHBondContact O-N 2.84Å; L906-F910 VanDerWaalsContact O-N 3.11Å
907K36.5Very low40.1Very low134 Ų134127.9 Ų127.958%0.58365%0.654SS**Hα-helixtrans-56.1-47.1174.7-178.5168.8173.5172.20112.2V903 E905 R909 F910 E911V903-K907 PolarHBondContact O-N 2.91Å; E905-K907 VanDerWaalsContact C-N 3.34Å; K907-R909 VanDerWaalsContact C-N 3.29Å; K907-R909 PolarHBondContact O-N 3.36Å; K907-F910 PolarHBondContact O-N 2.78Å; K907-E911 WeakPolarHBondContact CE-OE1 3.38Å; K907-E911 IonicContact NZ-OE1 2.71Å; K907-E911 WeakPolarHBondContact O-CG 3.26Å; K907-E911 PolarHBondContact O-N 3.45Å
908K42Very low40.4Very low150 Ų150126 Ų12665%0.65264%0.642SS**Hα-helixtrans-64.3-28.4176.2-79.3-170.5171-171.20114.4S904 E905 L906 F910 E911S904-K908 PolarHBondContact O-N 3.16Å; S904-K908 VanDerWaalsContact O-N 3.15Å; E905-K908 PolarHBondContact O-N 3.23Å; L906-K908 PolarHBondContact O-N 2.82Å; K908-F910 VanDerWaalsContact C-N 3.28Å; K908-E911 PolarHBondContact O-N 3.09Å
909R45.8Very low40.7Very low160 Ų160119.5 Ų119.560%0.60463%0.629SS**THydrogen-bonded Turntrans-82.3-0.6172.4-67.3179.9-167.7-172.97.2113.8E905 L906 K907E905-R909 WeakPolarHBondContact O-CB 3.24Å; E905-R909 WeakPolarHBondContact O-CG 3.12Å; E905-R909 PolarHBondContact O-N 3.35Å; L906-R909 CarbonylContact O-C 3.45Å; L906-R909 PolarHBondContact O-N 3.23Å; L906-R909 VanDerWaalsContact O-N 3.09Å; K907-R909 VanDerWaalsContact C-N 3.29Å; K907-R909 PolarHBondContact O-N 3.36Å
910F37.8Very low40.7Very low151 Ų151120.1 Ų120.166%0.66262%0.622SS**THydrogen-bonded Turntrans-102.5-10.8164.9-84.8-74.1000112.5L906 K907 K908L906-F910 WeakPolarHBondContact O-CD2 3.3Å; L906-F910 PolarHBondContact O-N 2.84Å; L906-F910 VanDerWaalsContact O-N 3.11Å; K907-F910 PolarHBondContact O-N 2.78Å; K908-F910 VanDerWaalsContact C-N 3.28Å
911E35.2Very low40.7Very low128 Ų128120 Ų12060%0.59861%0.608SS**  trans-96.9-1.7178.6-71.2170170.600113.1K907 K908K907-E911 WeakPolarHBondContact CE-OE1 3.38Å; K907-E911 IonicContact NZ-OE1 2.71Å; K907-E911 WeakPolarHBondContact O-CG 3.26Å; K907-E911 PolarHBondContact O-N 3.45Å; K908-E911 PolarHBondContact O-N 3.09Å
912A32Very low40.3Very low140 Ų140121.9 Ų121.9100%1.15762%0.617SS**  trans-138.30-177.500000111.7

Retrieved 912 of 912 residues in 609.3 ms (Link to these results)

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