A0A077ZHU6_TRITR Loading...

SDH beta and ACT and SDH alpha domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 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
1M36.7Very low73.1Confident196 Ų19679.2 Ų79.297%0.96638%0.382SS*.  01160-130.6163.7169.300106.2Y214M1-Y214 WeakPolarHBondContact CE-OH 3.43Å
2E43.4Very low74.9Confident187 Ų18772.6 Ų72.687%0.87435%0.35SS*.  trans-61.3136.2168-82.9-178.4153.500108L4E2-L4 PolarHBondContact O-N 3.32Å
3V56.6Low76.6Confident116 Ų11667 Ų6770%0.70332%0.323SS*.  trans-70.3113.4178.2-179.60000107.1K5V3-K5 PolarHBondContact O-N 2.95Å
4L67.3Low77.9Confident41 Ų4162.3 Ų62.322%0.21530%0.301CS..  trans-58.4136.8175.1-67.6179.3000110.6E2 R7 M212 Y214 N365E2-L4 PolarHBondContact O-N 3.32Å; L4-R7 HydrophobicContact CB-CG 4.2Å; L4-M212 HydrophobicContact CD1-CE 3.75Å; L4-Y214 HydrophobicContact CD1-CD1 4.4Å; L4-Y214 HydrophobicContact CD1-CE1 3.8Å; L4-Y214 HydrophobicContact CD2-CD1 3.95Å; L4-Y214 HydrophobicContact CD2-CE1 3.96Å; L4-Y214 HydrophobicContact CG-CE1 4.12Å; L4-N365 HydrophobicContact CD2-CB 4.03Å
5K73.8Confident78.9Confident98 Ų9859.4 Ų59.443%0.42629%0.289SS..SBendtrans-75.6-34.5176.1-68.3-178.5179.9-179.40111.7V3 I128 N365V3-K5 PolarHBondContact O-N 2.95Å; K5-I128 HydrophobicContact CD-CG2 4.44Å; K5-N365 PolarHBondContact N-OD1 3.29Å
6Y82.6Confident80Confident2 Ų256.5 Ų56.51%0.00828%0.276CS..  trans-126.2130.8-179.7-54.9-76.8000108D11 I12 G129 N132 A364 N365 I369Y6-D11 HydrophobicContact CD1-CB 3.88Å; Y6-I12 HydrophobicContact CG-CD1 4.41Å; Y6-G129 WeakPolarHBondContact OH-CA 3.43Å; Y6-G129 PolarHBondContact OH-O 3.43Å; Y6-N132 WeakPolarHBondContact CD1-ND2 3.35Å; Y6-N132 HydrophobicContact CE1-CB 4.4Å; Y6-A364 HydrophobicContact CD2-CB 3.45Å; Y6-A364 VanDerWaalsContact CD2-CB 3.45Å; Y6-A364 HydrophobicContact CE2-CB 3.8Å; Y6-A364 HydrophobicContact CG-CB 4.04Å; Y6-N365 PolarHBondContact N-OD1 3.18Å; Y6-N365 VanDerWaalsContact N-OD1 3.07Å; Y6-N365 PolarHBondContact O-ND2 3Å; Y6-N365 PolarHBondContact O-OD1 2.89Å; Y6-I369 HydrophobicContact CE1-CD1 3.91Å; Y6-I369 HydrophobicContact CE2-CD1 4.18Å; Y6-I369 HydrophobicContact CE2-CG1 4.09Å
7R80.6Confident81Confident144 Ų14453.2 Ų53.254%0.54326%0.259SS..  trans-121.8-37.7-172.8-62.9-176.4-174.5-177.92.1112L4 D11 L240L4-R7 HydrophobicContact CB-CG 4.2Å; R7-D11 PolarHBondContact N-OD2 2.99Å; R7-L240 VanDerWaalsContact O-CD1 3.24Å; R7-L240 WeakPolarHBondContact O-CD1 3.49Å
8S87.4Confident81.8Confident20 Ų2050.6 Ų50.614%0.1425%0.247CC..SBendtrans-98.4149.1-176.5171.20000110.6F10 D11 E237S8-F10 PolarHBondContact O-N 3.23Å; S8-F10 WeakPolarHBondContact OG-CB 3.34Å; S8-F10 WeakPolarHBondContact OG-CD2 3.42Å; S8-F10 PolarHBondContact OG-N 3.4Å; S8-D11 PolarHBondContact N-OD2 3.49Å; S8-D11 VanDerWaalsContact O-CB 3.24Å; S8-D11 WeakPolarHBondContact O-CB 3.36Å; S8-D11 PolarHBondContact O-N 2.65Å; S8-E237 WeakPolarHBondContact CA-OE2 3.44Å; S8-E237 WeakPolarHBondContact CB-OE1 3.35Å; S8-E237 VanDerWaalsContact OG-CD 3.26Å; S8-E237 PolarHBondContact OG-OE1 2.85Å; S8-E237 PolarHBondContact OG-OE2 3.37Å
9V93.6Very high82.4Confident0 Ų047.9 Ų47.90%023%0.234CC..G310 helixtrans-57.8-28.1168.272.50000111.9D11 I12 I13 M233 E237 M252 F354V9-D11 PolarHBondContact O-N 2.99Å; V9-I12 WeakPolarHBondContact O-CB 3.04Å; V9-I12 PolarHBondContact O-N 3.41Å; V9-I13 HydrophobicContact CG2-CG1 4.5Å; V9-I13 PolarHBondContact O-N 3.19Å; V9-M233 HydrophobicContact CB-CE 3.95Å; V9-M233 HydrophobicContact CB-CG 3.94Å; V9-M233 HydrophobicContact CB-SD 3.89Å; V9-M233 HydrophobicContact CG2-CG 3.73Å; V9-M233 HydrophobicContact CG2-SD 3.96Å; V9-E237 HydrophobicContact CG1-CG 4.36Å; V9-E237 PolarHBondContact N-OE2 2.95Å; V9-M252 HydrophobicContact CG1-CE 4.18Å; V9-M252 HydrophobicContact CG2-CE 4.24Å; V9-F354 HydrophobicContact CG1-CD1 4.02Å; V9-F354 HydrophobicContact CG1-CE1 3.76Å; V9-F354 HydrophobicContact CG2-CD1 4.17Å
10F92.9Very high83Confident37 Ų3746 Ų4616%0.16223%0.225CC..G310 helixtrans-76.7-8.8178.7-58.2-66.2000113.7S8 E237 I248 L251 M252 F354S8-F10 PolarHBondContact O-N 3.23Å; S8-F10 WeakPolarHBondContact OG-CB 3.34Å; S8-F10 WeakPolarHBondContact OG-CD2 3.42Å; S8-F10 PolarHBondContact OG-N 3.4Å; F10-E237 HydrophobicContact CE2-CG 4.05Å; F10-I248 HydrophobicContact CE2-CG2 4.38Å; F10-I248 HydrophobicContact CZ-CG2 4.22Å; F10-I248 WeakPolarHBondContact CZ-O 3.39Å; F10-L251 HydrophobicContact CD1-CB 4.33Å; F10-L251 HydrophobicContact CD2-CD1 4.14Å; F10-L251 HydrophobicContact CE1-CB 3.58Å; F10-L251 HydrophobicContact CE2-CB 4.12Å; F10-L251 HydrophobicContact CE2-CD1 3.7Å; F10-L251 HydrophobicContact CZ-CB 3.47Å; F10-L251 VanDerWaalsContact CZ-CB 3.47Å; F10-L251 HydrophobicContact CZ-CD1 3.94Å; F10-L251 HydrophobicContact CZ-CG 4.39Å; F10-M252 HydrophobicContact CD1-CE 4.32Å; F10-M252 HydrophobicContact CE1-CB 4.18Å; F10-M252 HydrophobicContact CE1-CE 3.79Å; F10-M252 HydrophobicContact CE1-SD 4.36Å; F10-M252 HydrophobicContact CZ-CE 4.46Å; F10-F354 HydrophobicContact CZ-CE1 4.38Å; F10-F354 HydrophobicContact CZ-CZ 4.39Å
11D88.9Confident83.5Confident30 Ų3043.9 Ų43.916%0.1622%0.215CC..G310 helixtrans-73.7-19.2165.3-65.8-41.7000112.3Y6 R7 S8 V9 N132Y6-D11 HydrophobicContact CD1-CB 3.88Å; R7-D11 PolarHBondContact N-OD2 2.99Å; S8-D11 PolarHBondContact N-OD2 3.49Å; S8-D11 VanDerWaalsContact O-CB 3.24Å; S8-D11 WeakPolarHBondContact O-CB 3.36Å; S8-D11 PolarHBondContact O-N 2.65Å; V9-D11 PolarHBondContact O-N 2.99Å; D11-N132 PolarHBondContact OD1-ND2 3.23Å; D11-N132 PolarHBondContact OD1-OD1 3.45Å
12I94.9Very high86.2Confident0 Ų034.6 Ų34.60%017%0.17CC..THydrogen-bonded Turntrans-108.2-41.3-176.2-52-56.8000110.6Y6 V9 P323 L361 A364 I369 M386Y6-I12 HydrophobicContact CG-CD1 4.41Å; V9-I12 WeakPolarHBondContact O-CB 3.04Å; V9-I12 PolarHBondContact O-N 3.41Å; I12-P323 HydrophobicContact CG2-CB 4.1Å; I12-P323 VanDerWaalsContact O-CA 3.22Å; I12-P323 WeakPolarHBondContact O-CA 3.28Å; I12-L361 HydrophobicContact CD1-CD1 4.24Å; I12-L361 HydrophobicContact CG1-CB 4.02Å; I12-L361 HydrophobicContact CG1-CD1 3.94Å; I12-A364 HydrophobicContact CD1-CB 3.51Å; I12-I369 HydrophobicContact CD1-CD1 4.37Å; I12-M386 HydrophobicContact CG2-CE 4.02Å; I12-M386 HydrophobicContact CG2-SD 4.22Å
13I97.3Very high88.4Confident0 Ų025.9 Ų25.90%013%0.13CC..SBendtrans-107.685.3175.3-49-57.3000107.6V9 M252 N255 M259 T322 L331 M386V9-I13 HydrophobicContact CG2-CG1 4.5Å; V9-I13 PolarHBondContact O-N 3.19Å; I13-M252 HydrophobicContact CB-CE 4.1Å; I13-M252 HydrophobicContact CB-SD 4.17Å; I13-M252 HydrophobicContact CG1-CE 4.34Å; I13-M252 HydrophobicContact CG2-CE 4.23Å; I13-M252 HydrophobicContact CG2-SD 3.62Å; I13-N255 HydrophobicContact CG2-CB 4.41Å; I13-N255 PolarHBondContact O-ND2 3.05Å; I13-M259 HydrophobicContact CG2-CE 3.69Å; I13-T322 HydrophobicContact CD1-CG2 4.12Å; I13-T322 HydrophobicContact CG2-CG2 4.21Å; I13-L331 HydrophobicContact CD1-CD2 3.41Å; I13-L331 VanDerWaalsContact CD1-CD2 3.41Å; I13-M386 HydrophobicContact CD1-SD 4.45Å
14G94.6Very high90.2Very high1 Ų120.4 Ų20.41%0.0110%0.096CC..  trans137.2-179.3-172.300000112.6A321G14-A321 PolarHBondContact N-O 3.33Å; G14-A321 WeakPolarHBondContact O-CB 3.21Å
15P93.6Very high91.6Very high19 Ų1918.4 Ų18.412%0.1239%0.086CC..  cis-71.2163.3-6.531.7-36.8000112.5M17 A26 G130 A321P15-M17 HydrophobicContact CG-CB 4.47Å; P15-M17 HydrophobicContact CG-SD 4.49Å; P15-A26 HydrophobicContact CG-CB 4.05Å; P15-G130 WeakPolarHBondContact CD-O 3.43Å; P15-A321 PolarHBondContact O-N 3.34Å; P15-A321 VanDerWaalsContact O-N 3.14Å
16V96.5Very high92.6Very high13 Ų1313.8 Ų13.88%0.0797%0.066CC..EExtended strand (participates in β ladder)trans-64.7129.2153.9170.90000107.8D77 N255 V258 L318 V319 C320V16-D77 HydrophobicContact CG1-CB 4.14Å; V16-N255 WeakPolarHBondContact CG2-OD1 3.27Å; V16-V258 HydrophobicContact CG1-CG1 4.29Å; V16-V258 HydrophobicContact CG1-CG2 3.92Å; V16-V258 HydrophobicContact CG2-CB 4.2Å; V16-V258 HydrophobicContact CG2-CG1 4.42Å; V16-V258 HydrophobicContact CG2-CG2 3.87Å; V16-L318 HydrophobicContact CG1-CD1 3.68Å; V16-L318 HydrophobicContact CG1-CD2 3.86Å; V16-L318 HydrophobicContact CG1-CG 3.74Å; V16-V319 WeakPolarHBondContact CA-O 3.3Å; V16-C320 HydrophobicContact CG2-CB 4.43Å
17M96.5Very high93.1Very high0 Ų013.7 Ų13.70%07%0.065CC..EExtended strand (participates in β ladder)trans-156.9159.5-173.860.3174.7-72.700111.8P15 S21 S22 T25 A26 P76 L318 V319 A321 A325P15-M17 HydrophobicContact CG-CB 4.47Å; P15-M17 HydrophobicContact CG-SD 4.49Å; M17-S21 VanDerWaalsContact CE-O 3.31Å; M17-S21 WeakPolarHBondContact CE-O 3.46Å; M17-S22 VanDerWaalsContact SD-CA 3.51Å; M17-T25 HydrophobicContact CE-CG2 4.48Å; M17-A26 HydrophobicContact CB-CB 4.17Å; M17-A26 HydrophobicContact CE-CB 3.72Å; M17-A26 HydrophobicContact SD-CB 3.58Å; M17-A26 VanDerWaalsContact SD-CB 3.58Å; M17-P76 CarbonylContact C-O 3.58Å; M17-P76 VanDerWaalsContact CA-O 3.28Å; M17-P76 WeakPolarHBondContact CA-O 3.37Å; M17-P76 HydrophobicContact CB-CB 4.03Å; M17-L318 WeakPolarHBondContact O-CA 3.48Å; M17-V319 HydrophobicContact CG-CG2 4.46Å; M17-V319 PolarHBondContact N-O 3.47Å; M17-V319 PolarHBondContact O-N 3.32Å; M17-V319 VanDerWaalsContact O-O 3.14Å; M17-A321 HydrophobicContact SD-CB 4.37Å; M17-A325 HydrophobicContact CE-CB 4.14Å; M17-A325 HydrophobicContact SD-CB 3.9Å
18V95.6Very high93.9Very high6 Ų66.8 Ų6.84%0.0364%0.039CC..EExtended strand (participates in β ladder)trans-74.5141.7161.8-54.20000109.4T25 P76 L81 G317 L318V18-T25 HydrophobicContact CG2-CG2 4.36Å; V18-P76 PolarHBondContact N-O 3.43Å; V18-L81 HydrophobicContact CG2-CB 3.93Å; V18-L81 HydrophobicContact CG2-CD1 3.46Å; V18-L81 VanDerWaalsContact CG2-CD1 3.46Å; V18-L81 HydrophobicContact CG2-CG 4.27Å; V18-G317 WeakPolarHBondContact CA-O 3.29Å; V18-L318 HydrophobicContact CG1-CD1 4.47Å
19G92.8Very high94.3Very high0 Ų05.9 Ų5.90%03%0.033CC..SBendtrans-61175.7176.200000114.7N313 M316 G317G19-N313 WeakPolarHBondContact CA-OD1 3.47Å; G19-M316 WeakPolarHBondContact O-CE 3.47Å; G19-G317 PolarHBondContact N-O 2.86Å
20P94.2Very high94.4Very high9 Ų98.1 Ų8.16%0.0584%0.041CC..SBendcis-102.5-147.838.7-37.8000115.2T25 N313 M316 A325 V425P20-T25 VanDerWaalsContact CD-OG1 3.28Å; P20-T25 WeakPolarHBondContact CD-OG1 3.28Å; P20-N313 VanDerWaalsContact CA-OD1 3.26Å; P20-N313 WeakPolarHBondContact CA-OD1 3.43Å; P20-N313 PolarHBondContact O-ND2 3.26Å; P20-N313 PolarHBondContact O-OD1 3.15Å; P20-M316 VanDerWaalsContact CD-SD 3.59Å; P20-M316 HydrophobicContact CG-SD 4.49Å; P20-A325 WeakPolarHBondContact O-CB 3.38Å; P20-V425 HydrophobicContact CB-CB 3.86Å; P20-V425 HydrophobicContact CB-CG2 3.7Å; P20-V425 HydrophobicContact CG-CG2 4.14Å; P20-V425 WeakPolarHBondContact O-CG2 3.33Å
21S94Very high94.6Very high3 Ų36.4 Ų6.42%0.0213%0.034CC..  trans-136.6125.5-167.2174.30000113.2M17 S23 H24 T25 A26M17-S21 VanDerWaalsContact CE-O 3.31Å; M17-S21 WeakPolarHBondContact CE-O 3.46Å; S21-S23 VanDerWaalsContact C-N 3.33Å; S21-S23 PolarHBondContact O-N 3.46Å; S21-S23 PolarHBondContact OG-OG 3.1Å; S21-S23 VanDerWaalsContact OG-OG 3.12Å; S21-H24 PolarHBondContact O-N 2.75Å; S21-H24 WeakPolarHBondContact OG-CB 3.2Å; S21-H24 PolarHBondContact OG-N 2.85Å; S21-H24 PolarHBondContact OG-ND1 3.45Å; S21-T25 PolarHBondContact N-OG1 3.15Å; S21-T25 VanDerWaalsContact N-OG1 3.11Å; S21-T25 VanDerWaalsContact O-CA 3.23Å; S21-T25 WeakPolarHBondContact O-CA 3.39Å; S21-T25 WeakPolarHBondContact O-CB 3.34Å; S21-T25 PolarHBondContact O-N 3.21Å; S21-T25 PolarHBondContact O-OG1 3.44Å; S21-A26 PolarHBondContact O-N 3.43Å
22S92.5Very high95Very high1 Ų15 Ų51%0.0073%0.026CC..Iπ-helixtrans-65.4-37.1179.759.10000112.4M17 A26 G27 G131 T324 A325M17-S22 VanDerWaalsContact SD-CA 3.51Å; S22-A26 WeakPolarHBondContact O-CB 3.25Å; S22-A26 PolarHBondContact O-N 3.32Å; S22-G27 PolarHBondContact O-N 2.79Å; S22-G131 VanDerWaalsContact O-CA 3.24Å; S22-G131 WeakPolarHBondContact O-CA 3.32Å; S22-T324 WeakPolarHBondContact OG-CA 3.49Å; S22-T324 WeakPolarHBondContact OG-CB 3.35Å; S22-A325 VanDerWaalsContact N-CB 3.3Å; S22-A325 PolarHBondContact OG-N 3.49Å
23S91.3Very high95Very high4 Ų47.5 Ų7.53%0.0284%0.037CC..Iπ-helixtrans-72.8-46.3177.451.90000112S21 S127S21-S23 VanDerWaalsContact C-N 3.33Å; S21-S23 PolarHBondContact O-N 3.46Å; S21-S23 PolarHBondContact OG-OG 3.1Å; S21-S23 VanDerWaalsContact OG-OG 3.12Å; S23-S127 WeakPolarHBondContact CA-OG 3.44Å; S23-S127 VanDerWaalsContact O-CB 3.27Å; S23-S127 WeakPolarHBondContact O-CB 3.35Å; S23-S127 PolarHBondContact O-OG 2.81Å
24H94Very high94.7Very high0 Ų09.1 Ų9.10%05%0.047CC..Iπ-helixtrans-92.7-18.6-171.4-71.374.3000114S21 A28 S53 F54 T57 H61 T63 E477S21-H24 PolarHBondContact O-N 2.75Å; S21-H24 WeakPolarHBondContact OG-CB 3.2Å; S21-H24 PolarHBondContact OG-N 2.85Å; S21-H24 PolarHBondContact OG-ND1 3.45Å; H24-A28 WeakPolarHBondContact O-CB 3.24Å; H24-S53 PolarHBondContact CE1-OG 2.97Å; H24-S53 VanDerWaalsContact CE1-OG 3.24Å; H24-S53 PolarHBondContact NE2-OG 3.08Å; H24-F54 HydrophobicContact CB-CE1 4.32Å; H24-F54 AromaticContact CD2-CD1 3.38Å; H24-F54 WeakPolarHBondContact CD2-CD1 3.26Å; H24-F54 AromaticContact CD2-CE1 3.65Å; H24-F54 AromaticContact CG-CE1 3.81Å; H24-F54 AromaticContact NE2-CD1 3.57Å; H24-T57 PolarHBondContact NE2-OG1 3.28Å; H24-H61 HydrophobicContact CB-CB 3.39Å; H24-H61 AromaticContact CG-CG 4Å; H24-T63 VanDerWaalsContact CB-OG1 3.28Å; H24-T63 WeakPolarHBondContact CB-OG1 3.47Å; H24-T63 PolarHBondContact CD2-OG1 3.42Å; H24-T63 WeakPolarHBondContact O-CA 3.33Å; H24-T63 PolarHBondContact O-N 3.34Å; H24-T63 PolarHBondContact O-OG1 2.93Å; H24-T63 VanDerWaalsContact O-OG1 3.1Å; H24-E477 IonicContact CE1-OE1 2.77Å; H24-E477 PolarHBondContact CE1-OE1 2.95Å; H24-E477 IonicContact ND1-OE1 2.84Å; H24-E477 PolarHBondContact ND1-OE1 3.14Å; H24-E477 VanDerWaalsContact ND1-OE1 3.15Å
25T95.3Very high94.6Very high0 Ų09 Ų90%05%0.046CC..Iπ-helixtrans-109.9-64.6178.7-36.70000110.5M17 V18 P20 S21 A28 A29 H61 A66M17-T25 HydrophobicContact CE-CG2 4.48Å; V18-T25 HydrophobicContact CG2-CG2 4.36Å; P20-T25 VanDerWaalsContact CD-OG1 3.28Å; P20-T25 WeakPolarHBondContact CD-OG1 3.28Å; S21-T25 PolarHBondContact N-OG1 3.15Å; S21-T25 VanDerWaalsContact N-OG1 3.11Å; S21-T25 VanDerWaalsContact O-CA 3.23Å; S21-T25 WeakPolarHBondContact O-CA 3.39Å; S21-T25 WeakPolarHBondContact O-CB 3.34Å; S21-T25 PolarHBondContact O-N 3.21Å; S21-T25 PolarHBondContact O-OG1 3.44Å; T25-A28 PolarHBondContact O-N 3.09Å; T25-A29 WeakPolarHBondContact O-CB 3.19Å; T25-A29 PolarHBondContact O-N 3.31Å; T25-H61 PolarHBondContact OG1-O 2.96Å; T25-A66 HydrophobicContact CG2-CB 4.02Å; T25-A66 WeakPolarHBondContact O-CB 3.46Å
26A95.1Very high94.7Very high0 Ų012.4 Ų12.40%06%0.056CC..Iπ-helixtrans-66-46.6-177.700000112.4P15 M17 S21 S22 A29 R30 P76P15-A26 HydrophobicContact CG-CB 4.05Å; M17-A26 HydrophobicContact CB-CB 4.17Å; M17-A26 HydrophobicContact CE-CB 3.72Å; M17-A26 HydrophobicContact SD-CB 3.58Å; M17-A26 VanDerWaalsContact SD-CB 3.58Å; S21-A26 PolarHBondContact O-N 3.43Å; S22-A26 WeakPolarHBondContact O-CB 3.25Å; S22-A26 PolarHBondContact O-N 3.32Å; A26-A29 PolarHBondContact O-N 3.09Å; A26-R30 WeakPolarHBondContact O-CG 3.25Å; A26-R30 PolarHBondContact O-N 2.61Å; A26-P76 HydrophobicContact CB-CB 3.77Å; A26-P76 HydrophobicContact CB-CG 4.19Å
27G94Very high94.3Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-62.1-44.8175.600000111.9S22 A29 R30 I31 I133S22-G27 PolarHBondContact O-N 2.79Å; G27-A29 PolarHBondContact O-N 3.19Å; G27-R30 PolarHBondContact O-N 2.72Å; G27-I31 WeakPolarHBondContact O-CG1 3.46Å; G27-I31 PolarHBondContact O-N 3.49Å; G27-I133 WeakPolarHBondContact O-CG2 2.88Å
28A96.9Very high93.9Very high0 Ų019.5 Ų19.50%09%0.091CC..Hα-helixtrans-61.7-41.6176.100000113.3H24 T25 I31 G32 T63 A66 L67H24-A28 WeakPolarHBondContact O-CB 3.24Å; T25-A28 PolarHBondContact O-N 3.09Å; A28-I31 PolarHBondContact O-N 3.05Å; A28-G32 PolarHBondContact O-N 3.01Å; A28-T63 HydrophobicContact CB-CG2 4.03Å; A28-A66 HydrophobicContact CB-CB 3.58Å; A28-L67 HydrophobicContact CB-CD2 4.19Å; A28-L67 HydrophobicContact CB-CG 4.06Å; A28-L67 WeakPolarHBondContact O-CD2 3.3Å
29A97.2Very high93.7Very high0 Ų019.7 Ų19.70%09%0.091CC..Hα-helixtrans-62.7-43.1175.600000111.5T25 A26 G27 G32 K33 A66 G70 L81T25-A29 WeakPolarHBondContact O-CB 3.19Å; T25-A29 PolarHBondContact O-N 3.31Å; A26-A29 PolarHBondContact O-N 3.09Å; G27-A29 PolarHBondContact O-N 3.19Å; A29-G32 PolarHBondContact O-N 2.87Å; A29-K33 WeakPolarHBondContact O-CB 3.4Å; A29-K33 PolarHBondContact O-N 2.84Å; A29-A66 VanDerWaalsContact CA-O 3.27Å; A29-A66 WeakPolarHBondContact CA-O 3.4Å; A29-A66 HydrophobicContact CB-CB 4.19Å; A29-G70 WeakPolarHBondContact O-CA 3.46Å; A29-L81 HydrophobicContact CB-CD1 4.42Å; A29-L81 HydrophobicContact CB-CD2 4.29Å
30R95Very high93.5Very high48 Ų4822.7 Ų22.718%0.18112%0.122CC..Hα-helixtrans-61.9-43.1173.7-71.4167.4176.2-178.4-3.6111.8A26 G27 K33 V34 P76 G131 I133A26-R30 WeakPolarHBondContact O-CG 3.25Å; A26-R30 PolarHBondContact O-N 2.61Å; G27-R30 PolarHBondContact O-N 2.72Å; R30-K33 PolarHBondContact O-N 3.45Å; R30-V34 WeakPolarHBondContact O-CG2 3.22Å; R30-V34 PolarHBondContact O-N 2.75Å; R30-P76 HydrophobicContact CG-CG 3.94Å; R30-G131 WeakPolarHBondContact CD-O 3.2Å; R30-G131 PolarHBondContact NH1-O 3.45Å; R30-I133 HydrophobicContact CB-CD1 3.8Å; R30-I133 HydrophobicContact CB-CG1 4.21Å; R30-I133 HydrophobicContact CB-CG2 4Å
31I96.2Very high93.4Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-59.2-52.7176.3-70.7165.3000109.8G27 A28 K33 V34 C35 F54 L67 V110 L112 I133G27-I31 WeakPolarHBondContact O-CG1 3.46Å; G27-I31 PolarHBondContact O-N 3.49Å; A28-I31 PolarHBondContact O-N 3.05Å; I31-K33 PolarHBondContact O-N 3.37Å; I31-V34 PolarHBondContact O-N 3.43Å; I31-C35 WeakPolarHBondContact O-CB 3.37Å; I31-C35 PolarHBondContact O-N 3.08Å; I31-C35 PolarHBondContact O-SG 2.88Å; I31-F54 HydrophobicContact CD1-CE2 4.39Å; I31-L67 HydrophobicContact CB-CD2 4.29Å; I31-L67 HydrophobicContact CG2-CD2 4.1Å; I31-V110 HydrophobicContact CD1-CG1 4.17Å; I31-V110 HydrophobicContact CG2-CG1 3.86Å; I31-L112 HydrophobicContact CG2-CD1 3.84Å; I31-I133 HydrophobicContact CD1-CG2 4.24Å; I31-I133 HydrophobicContact CG1-CB 3.98Å; I31-I133 HydrophobicContact CG1-CD1 4.07Å; I31-I133 HydrophobicContact CG1-CG2 3.76Å
32G97.2Very high93.5Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-56-41.7179.300000112.3A28 A29 R36 G70A28-G32 PolarHBondContact O-N 3.01Å; A29-G32 PolarHBondContact O-N 2.87Å; G32-R36 WeakPolarHBondContact O-CB 3.41Å; G32-R36 PolarHBondContact O-N 3.38Å; G32-G70 VanDerWaalsContact C-C 3.44Å
33K94.5Very high93.7Very high53 Ų5329.4 Ų29.423%0.2315%0.15CC..Hα-helixtrans-68-47.1179.3-172.7-177.8175.3-157.80112.9A29 R30 I31 R36 M37 G70 E75A29-K33 WeakPolarHBondContact O-CB 3.4Å; A29-K33 PolarHBondContact O-N 2.84Å; R30-K33 PolarHBondContact O-N 3.45Å; I31-K33 PolarHBondContact O-N 3.37Å; K33-R36 WeakPolarHBondContact O-CB 3.33Å; K33-R36 PolarHBondContact O-N 2.94Å; K33-M37 HydrophobicContact CG-SD 4.49Å; K33-M37 WeakPolarHBondContact O-CG 3.47Å; K33-M37 PolarHBondContact O-N 3.29Å; K33-G70 WeakPolarHBondContact CA-O 3.38Å; K33-G70 PolarHBondContact N-O 2.97Å; K33-E75 IonicContact NZ-OE1 2.68Å; K33-E75 PolarHBondContact NZ-OE1 2.98Å; K33-E75 IonicContact NZ-OE2 3.23Å; K33-E75 PolarHBondContact NZ-OE2 3.06Å
34V91.2Very high94Very high34 Ų3432.7 Ų32.721%0.20617%0.167CC..Hα-helixtrans-62.9-44.9176.9171.40000110.1R30 I31 R36 M37 I38 I133 I135 M147R30-V34 WeakPolarHBondContact O-CG2 3.22Å; R30-V34 PolarHBondContact O-N 2.75Å; I31-V34 PolarHBondContact O-N 3.43Å; V34-R36 VanDerWaalsContact C-N 3.31Å; V34-R36 PolarHBondContact O-N 3.39Å; V34-M37 WeakPolarHBondContact O-CA 3.48Å; V34-M37 WeakPolarHBondContact O-CB 3.49Å; V34-M37 PolarHBondContact O-N 3.06Å; V34-I38 HydrophobicContact CG1-CD1 3.86Å; V34-I38 HydrophobicContact CG1-CG1 4.29Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 2.98Å; V34-I133 HydrophobicContact CB-CD1 4.38Å; V34-I133 HydrophobicContact CG2-CD1 3.93Å; V34-I135 HydrophobicContact CB-CD1 4.4Å; V34-I135 HydrophobicContact CG1-CD1 3.92Å; V34-I135 HydrophobicContact CG1-CG1 3.72Å; V34-M147 HydrophobicContact CG2-SD 4.38Å
35C94.1Very high94.2Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-59.4-41.3176.3-690000112.2I31 M37 I38 F39 L112 M114 V123I31-C35 WeakPolarHBondContact O-CB 3.37Å; I31-C35 PolarHBondContact O-N 3.08Å; I31-C35 PolarHBondContact O-SG 2.88Å; C35-M37 PolarHBondContact O-N 3.24Å; C35-I38 PolarHBondContact O-N 2.94Å; C35-F39 WeakPolarHBondContact O-CB 3.38Å; C35-F39 PolarHBondContact O-N 3.42Å; C35-L112 HydrophobicContact CB-CD2 3.68Å; C35-M114 HydrophobicContact CB-CE 4.03Å; C35-M114 HydrophobicContact CB-SD 4.21Å; C35-M114 WeakPolarHBondContact O-CE 3.47Å; C35-V123 HydrophobicContact CB-CB 4.47Å; C35-V123 WeakPolarHBondContact SG-CG1 3.32Å
36R93.8Very high94.4Very high89 Ų8934.1 Ų34.134%0.33618%0.177SC..Hα-helixtrans-62.1-40.4172.7-178.7-145.2-173.9-118.4-4.1112.4G32 K33 V34 F39 G40 I71G32-R36 WeakPolarHBondContact O-CB 3.41Å; G32-R36 PolarHBondContact O-N 3.38Å; K33-R36 WeakPolarHBondContact O-CB 3.33Å; K33-R36 PolarHBondContact O-N 2.94Å; V34-R36 VanDerWaalsContact C-N 3.31Å; V34-R36 PolarHBondContact O-N 3.39Å; R36-F39 PolarHBondContact O-N 3.25Å; R36-G40 PolarHBondContact O-N 3.48Å; R36-I71 WeakPolarHBondContact CD-O 3.34Å; R36-I71 WeakPolarHBondContact CG-O 3.36Å; R36-I71 PolarHBondContact NE-O 3.16Å
37M88.9Confident94.5Very high128 Ų12836.4 Ų36.463%0.63119%0.188SC*.Hα-helixtrans-64.9-39.8175.2-70.2173.363.900111.9K33 V34 C35 G40K33-M37 HydrophobicContact CG-SD 4.49Å; K33-M37 WeakPolarHBondContact O-CG 3.47Å; K33-M37 PolarHBondContact O-N 3.29Å; V34-M37 WeakPolarHBondContact O-CA 3.48Å; V34-M37 WeakPolarHBondContact O-CB 3.49Å; V34-M37 PolarHBondContact O-N 3.06Å; C35-M37 PolarHBondContact O-N 3.24Å; M37-G40 PolarHBondContact O-N 2.92Å
38I88.2Confident94.7Very high34 Ų3436.4 Ų36.417%0.17419%0.188CC..Hα-helixtrans-64.7-41.7174.8-64.8172.7000110.7V34 C35 G40 M121 V123 I135 M138 I153V34-I38 HydrophobicContact CG1-CD1 3.86Å; V34-I38 HydrophobicContact CG1-CG1 4.29Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 2.98Å; C35-I38 PolarHBondContact O-N 2.94Å; I38-G40 PolarHBondContact O-N 2.84Å; I38-M121 HydrophobicContact CG2-SD 3.73Å; I38-V123 HydrophobicContact CD1-CG1 4.15Å; I38-V123 HydrophobicContact CG2-CG2 4.22Å; I38-I135 HydrophobicContact CD1-CG1 4.36Å; I38-I135 HydrophobicContact CD1-CG2 4.35Å; I38-M138 HydrophobicContact CG2-SD 3.54Å; I38-M138 VanDerWaalsContact CG2-SD 3.54Å; I38-I153 HydrophobicContact CD1-CD1 3.96Å; I38-I153 HydrophobicContact CG1-CD1 3.74Å; I38-I153 HydrophobicContact CG2-CD1 4.17Å
39F91.4Very high94.8Very high10 Ų1036.8 Ų36.84%0.04419%0.19CC..Hα-helixtrans-66.1-28.2175.3-163.6-109000112.5C35 R36 E41 P43 M114 K116 L119 M121C35-F39 WeakPolarHBondContact O-CB 3.38Å; C35-F39 PolarHBondContact O-N 3.42Å; R36-F39 PolarHBondContact O-N 3.25Å; F39-E41 HydrophobicContact CD1-CG 4.26Å; F39-E41 WeakPolarHBondContact CD1-O 3.48Å; F39-E41 HydrophobicContact CE1-CG 4.33Å; F39-P43 HydrophobicContact CD1-CB 4.35Å; F39-P43 HydrophobicContact CE1-CB 3.9Å; F39-P43 HydrophobicContact CZ-CB 4.38Å; F39-M114 HydrophobicContact CB-CE 3.84Å; F39-M114 HydrophobicContact CB-SD 3.95Å; F39-M114 HydrophobicContact CD2-CB 3.76Å; F39-M114 HydrophobicContact CD2-CE 4.02Å; F39-M114 HydrophobicContact CD2-SD 4.39Å; F39-M114 HydrophobicContact CE2-CB 3.73Å; F39-M114 WeakPolarHBondContact CE2-O 3.33Å; F39-M114 HydrophobicContact CG-CB 4.19Å; F39-M114 HydrophobicContact CG-CE 4.19Å; F39-M114 HydrophobicContact CG-SD 4.17Å; F39-M114 HydrophobicContact CZ-CB 4.16Å; F39-K116 HydrophobicContact CE1-CB 3.81Å; F39-K116 HydrophobicContact CZ-CB 3.87Å; F39-L119 HydrophobicContact CE1-CD2 4.28Å; F39-L119 HydrophobicContact CE2-CD2 3.95Å; F39-L119 HydrophobicContact CE2-CG 3.93Å; F39-L119 HydrophobicContact CZ-CD2 3.8Å; F39-L119 HydrophobicContact CZ-CG 3.97Å; F39-M121 HydrophobicContact CD2-CB 3.67Å; F39-M121 HydrophobicContact CD2-CE 4.41Å; F39-M121 HydrophobicContact CD2-SD 4.21Å; F39-M121 HydrophobicContact CE2-CB 3.82Å
40G88.4Confident94.8Very high63 Ų6336.8 Ų36.865%0.64919%0.19SC*.  trans92.1-18.1175.500000114.6R36 M37 I38R36-G40 PolarHBondContact O-N 3.48Å; M37-G40 PolarHBondContact O-N 2.92Å; I38-G40 PolarHBondContact O-N 2.84Å
41E92.4Very high94.8Very high89 Ų8936.6 Ų36.642%0.41619%0.189SC..SBendtrans-154.9-178.1179.259.7-178.5133.200112.5F39 K116F39-E41 HydrophobicContact CD1-CG 4.26Å; F39-E41 WeakPolarHBondContact CD1-O 3.48Å; F39-E41 HydrophobicContact CE1-CG 4.33Å; E41-K116 HydrophobicContact CG-CD 3.8Å; E41-K116 VanDerWaalsContact OE2-CD 3.23Å; E41-K116 WeakPolarHBondContact OE2-CD 3.25Å; E41-K116 WeakPolarHBondContact OE2-CE 3.31Å; E41-K116 IonicContact OE2-NZ 3.98Å; E41-K116 PolarHBondContact OE2-NZ 2.98Å
42R95.6Very high94.6Very high65 Ų6537.9 Ų37.925%0.24520%0.195CC..  trans-77127.2173.4-173.5-177.365.582.8-18.8109.6Q91 M93 K116R42-Q91 PolarHBondContact NH2-O 3.37Å; R42-M93 HydrophobicContact CG-SD 3.99Å; R42-K116 PolarHBondContact O-NZ 2.89Å
43P97.4Very high94.4Very high0 Ų037.9 Ų37.90%020%0.195CC..  trans-71.7159.4174.431.4-35.2000112.3F39 S45 I71 M93 M114 I115F39-P43 HydrophobicContact CD1-CB 4.35Å; F39-P43 HydrophobicContact CE1-CB 3.9Å; F39-P43 HydrophobicContact CZ-CB 4.38Å; P43-S45 WeakPolarHBondContact CB-O 3.4Å; P43-I71 HydrophobicContact CG-CG2 3.95Å; P43-M93 HydrophobicContact CG-SD 4.23Å; P43-M114 HydrophobicContact CB-CB 4.06Å; P43-M114 HydrophobicContact CG-CB 4.32Å; P43-M114 HydrophobicContact CG-CG 4.25Å; P43-I115 WeakPolarHBondContact CB-O 3.36Å
44D98Very high94.4Very high73 Ų7335.4 Ų35.439%0.3919%0.185SC..SBendtrans-78.7-37.6170.5-62.9-30.7000110.2M93 E94 I115 K116 G117D44-M93 CarbonylContact O-C 3.51Å; D44-M93 WeakPolarHBondContact O-CA 3.38Å; D44-E94 PolarHBondContact O-N 3.41Å; D44-I115 PolarHBondContact N-O 3.39Å; D44-K116 WeakPolarHBondContact OD2-CG 3.37Å; D44-G117 PolarHBondContact OD2-N 3.16Å
45S98Very high94.5Very high28 Ų2834.1 Ų34.120%0.19618%0.177CC..EExtended strand (participates in β ladder)trans-139150.417467.80000112.6P43 E94 I115P43-S45 WeakPolarHBondContact CB-O 3.4Å; S45-E94 CarbonylContact C-O 3.09Å; S45-E94 VanDerWaalsContact CA-O 3.27Å; S45-E94 WeakPolarHBondContact CA-O 3.34Å; S45-I115 PolarHBondContact N-O 3.4Å; S45-I115 PolarHBondContact O-N 3.21Å
46V98.2Very high94.4Very high3 Ų339.6 Ų39.62%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-138.7131.6174.759.10000111.5F48 I71 E94 V95 L96 R113 M114V46-F48 HydrophobicContact CB-CE2 4.28Å; V46-F48 HydrophobicContact CB-CZ 4.37Å; V46-F48 HydrophobicContact CG1-CD2 4.39Å; V46-F48 HydrophobicContact CG1-CE2 3.52Å; V46-F48 HydrophobicContact CG1-CZ 3.79Å; V46-F48 HydrophobicContact CG2-CD1 4.33Å; V46-F48 HydrophobicContact CG2-CD2 4.23Å; V46-F48 HydrophobicContact CG2-CE1 3.89Å; V46-F48 HydrophobicContact CG2-CE2 3.8Å; V46-F48 HydrophobicContact CG2-CG 4.5Å; V46-F48 HydrophobicContact CG2-CZ 3.63Å; V46-I71 HydrophobicContact CB-CD1 4.12Å; V46-I71 HydrophobicContact CG1-CD1 3.91Å; V46-I71 HydrophobicContact CG2-CD1 3.75Å; V46-E94 PolarHBondContact N-O 2.87Å; V46-V95 HydrophobicContact CG1-CG2 3.94Å; V46-V95 WeakPolarHBondContact O-CA 3.34Å; V46-L96 PolarHBondContact O-N 3.02Å; V46-R113 CarbonylContact C-O 3.44Å; V46-R113 VanDerWaalsContact CA-O 3.32Å; V46-R113 WeakPolarHBondContact CA-O 3.2Å; V46-M114 HydrophobicContact CB-CG 4.46Å; V46-M114 HydrophobicContact CG2-CG 3.98Å
47E98.3Very high94.4Very high48 Ų4835.5 Ų35.522%0.22419%0.186CC..EExtended strand (participates in β ladder)trans-110.1130.4170.5-178.6178.6169.600110L96 V98 L112 R113E47-L96 CarbonylContact C-O 3.57Å; E47-L96 WeakPolarHBondContact CA-O 3.24Å; E47-L96 HydrophobicContact CB-CB 4.38Å; E47-L96 HydrophobicContact CG-CB 4.29Å; E47-L96 HydrophobicContact CG-CD2 3.95Å; E47-L96 HydrophobicContact CG-CG 4.21Å; E47-V98 HydrophobicContact CG-CG2 3.92Å; E47-V98 WeakPolarHBondContact OE1-CG2 3.39Å; E47-L112 WeakPolarHBondContact O-CA 3.4Å; E47-R113 HydrophobicContact CB-CB 4.26Å; E47-R113 VanDerWaalsContact CD-NH1 3.26Å; E47-R113 PolarHBondContact N-O 3.41Å; E47-R113 PolarHBondContact O-N 3.43Å; E47-R113 IonicContact OE1-CZ 2.78Å; E47-R113 IonicContact OE1-NH1 3.68Å; E47-R113 PolarHBondContact OE1-NH1 3.49Å; E47-R113 IonicContact OE1-NH2 3.22Å; E47-R113 PolarHBondContact OE1-NH2 3.49Å; E47-R113 IonicContact OE2-CZ 2.74Å; E47-R113 IonicContact OE2-NH1 2.99Å; E47-R113 PolarHBondContact OE2-NH1 2.99Å; E47-R113 IonicContact OE2-NH2 3.85Å
48F98.4Very high94.6Very high0 Ų030.9 Ų30.90%016%0.162CC..EExtended strand (participates in β ladder)trans-110.5106.3-178.6-62.6-81.6000110.6V46 L50 L67 V68 I71 V95 L96 F97 V98 V110 T111 L112V46-F48 HydrophobicContact CB-CE2 4.28Å; V46-F48 HydrophobicContact CB-CZ 4.37Å; V46-F48 HydrophobicContact CG1-CD2 4.39Å; V46-F48 HydrophobicContact CG1-CE2 3.52Å; V46-F48 HydrophobicContact CG1-CZ 3.79Å; V46-F48 HydrophobicContact CG2-CD1 4.33Å; V46-F48 HydrophobicContact CG2-CD2 4.23Å; V46-F48 HydrophobicContact CG2-CE1 3.89Å; V46-F48 HydrophobicContact CG2-CE2 3.8Å; V46-F48 HydrophobicContact CG2-CG 4.5Å; V46-F48 HydrophobicContact CG2-CZ 3.63Å; F48-L50 HydrophobicContact CB-CD2 4.44Å; F48-L50 HydrophobicContact CB-CG 4.45Å; F48-L50 PolarHBondContact O-N 2.96Å; F48-L67 HydrophobicContact CD1-CB 4.11Å; F48-L67 HydrophobicContact CD1-CD1 3.7Å; F48-L67 HydrophobicContact CD1-CD2 4.46Å; F48-L67 HydrophobicContact CD1-CG 4.31Å; F48-L67 HydrophobicContact CE1-CB 3.56Å; F48-L67 HydrophobicContact CE1-CD1 4.04Å; F48-L67 HydrophobicContact CE1-CD2 4.26Å; F48-L67 HydrophobicContact CE1-CG 4.16Å; F48-L67 HydrophobicContact CG-CD1 4.24Å; F48-L67 HydrophobicContact CZ-CB 3.85Å; F48-V68 HydrophobicContact CE2-CG2 3.81Å; F48-V68 HydrophobicContact CZ-CG2 4.04Å; F48-I71 HydrophobicContact CE1-CD1 3.91Å; F48-I71 HydrophobicContact CZ-CD1 3.47Å; F48-I71 VanDerWaalsContact CZ-CD1 3.47Å; F48-V95 HydrophobicContact CD2-CG1 4.15Å; F48-V95 HydrophobicContact CE2-CG1 3.83Å; F48-L96 WeakPolarHBondContact CD2-O 3.34Å; F48-L96 PolarHBondContact N-O 3.45Å; F48-F97 HydrophobicContact CB-CD1 3.67Å; F48-F97 HydrophobicContact CB-CE1 4.12Å; F48-F97 AromaticContact CD2-CD1 3.63Å; F48-F97 HydrophobicContact CD2-CD1 3.63Å; F48-F97 AromaticContact CD2-CE1 3.35Å; F48-F97 HydrophobicContact CD2-CE1 3.35Å; F48-F97 HydrophobicContact CD2-CG 4.42Å; F48-F97 AromaticContact CD2-CZ 3.96Å; F48-F97 HydrophobicContact CD2-CZ 3.96Å; F48-F97 AromaticContact CE2-CE1 3.8Å; F48-F97 HydrophobicContact CE2-CE1 3.8Å; F48-F97 HydrophobicContact CE2-CZ 4.08Å; F48-F97 AromaticContact CG-CD1 3.89Å; F48-F97 HydrophobicContact CG-CD1 3.89Å; F48-F97 AromaticContact CG-CE1 3.81Å; F48-F97 HydrophobicContact CG-CE1 3.81Å; F48-V98 PolarHBondContact O-N 3.49Å; F48-V110 HydrophobicContact CB-CG2 4.26Å; F48-V110 HydrophobicContact CD1-CG2 4.11Å; F48-T111 WeakPolarHBondContact CA-O 3.33Å; F48-L112 HydrophobicContact CD1-CD1 4.39Å; F48-L112 HydrophobicContact CD1-CD2 4.12Å; F48-L112 HydrophobicContact CD1-CG 3.66Å; F48-L112 HydrophobicContact CE1-CD2 3.52Å; F48-L112 HydrophobicContact CE1-CG 3.61Å
49D97.9Very high94.9Very high8 Ų835.8 Ų35.84%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-81.7107.9168.7-65.3-43.8000109.1Y51 V98 K100 V110 T111 R113D49-Y51 HydrophobicContact CB-CE2 3.93Å; D49-Y51 WeakPolarHBondContact O-CD2 3.37Å; D49-Y51 WeakPolarHBondContact O-CE2 3.44Å; D49-V98 WeakPolarHBondContact CA-O 3.28Å; D49-K100 HydrophobicContact CB-CD 4.45Å; D49-K100 HydrophobicContact CB-CG 4.06Å; D49-K100 WeakPolarHBondContact OD1-CE 3.38Å; D49-K100 IonicContact OD1-NZ 2.65Å; D49-K100 PolarHBondContact OD1-NZ 3.49Å; D49-K100 IonicContact OD2-NZ 3.94Å; D49-V110 CarbonylContact O-C 3.54Å; D49-V110 VanDerWaalsContact O-CA 3.24Å; D49-V110 WeakPolarHBondContact O-CA 3.48Å; D49-T111 PolarHBondContact N-O 3.35Å; D49-T111 PolarHBondContact O-N 3.13Å; D49-R113 IonicContact OD1-CZ 3.14Å; D49-R113 IonicContact OD1-NH2 2.95Å; D49-R113 PolarHBondContact OD1-NH2 2.75Å; D49-R113 IonicContact OD2-CZ 3.29Å; D49-R113 VanDerWaalsContact OD2-CZ 3.29Å; D49-R113 IonicContact OD2-NE 2.65Å; D49-R113 PolarHBondContact OD2-NE 3.48Å; D49-R113 IonicContact OD2-NH2 3.88Å; D49-R113 PolarHBondContact OD2-NH2 2.9Å
50L97.6Very high94.9Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-100130.9-175.3-60.5167.2000109.6F48 F54 A55 Y58 T63 L67 F97 V98 K100 V110F48-L50 HydrophobicContact CB-CD2 4.44Å; F48-L50 HydrophobicContact CB-CG 4.45Å; F48-L50 PolarHBondContact O-N 2.96Å; L50-F54 HydrophobicContact CB-CB 4.27Å; L50-F54 HydrophobicContact CD2-CB 4.19Å; L50-A55 HydrophobicContact CB-CB 4.28Å; L50-A55 WeakPolarHBondContact O-CB 3.46Å; L50-Y58 HydrophobicContact CD1-CD1 3.94Å; L50-Y58 HydrophobicContact CD1-CD2 4.13Å; L50-Y58 HydrophobicContact CD1-CG 3.68Å; L50-T63 HydrophobicContact CD2-CG2 4.24Å; L50-L67 HydrophobicContact CD2-CD1 3.8Å; L50-F97 HydrophobicContact CD1-CB 4.17Å; L50-F97 HydrophobicContact CD1-CD1 4.01Å; L50-V98 PolarHBondContact N-O 3.15Å; L50-K100 VanDerWaalsContact O-CB 3.31Å; L50-K100 WeakPolarHBondContact O-CB 3.4Å; L50-K100 PolarHBondContact O-N 3.4Å; L50-V110 HydrophobicContact CD2-CB 4.17Å; L50-V110 HydrophobicContact CD2-CG2 3.73Å
51Y95.2Very high95Very high43 Ų4332.9 Ų32.917%0.16915%0.15CC..  trans-111.1150-178.1-61.4-96.2000111.4D49 S53 F54 A55 K100 E102 A104 P107 T109D49-Y51 HydrophobicContact CB-CE2 3.93Å; D49-Y51 WeakPolarHBondContact O-CD2 3.37Å; D49-Y51 WeakPolarHBondContact O-CE2 3.44Å; Y51-S53 PolarHBondContact O-N 2.93Å; Y51-F54 WeakPolarHBondContact O-CB 3.48Å; Y51-F54 PolarHBondContact O-N 3.21Å; Y51-F54 VanDerWaalsContact O-N 3.11Å; Y51-A55 PolarHBondContact O-N 2.96Å; Y51-A55 VanDerWaalsContact O-N 3.14Å; Y51-K100 HydrophobicContact CD1-CB 3.63Å; Y51-K100 HydrophobicContact CD1-CG 4.05Å; Y51-K100 HydrophobicContact CE1-CB 3.7Å; Y51-K100 HydrophobicContact CE1-CG 3.68Å; Y51-K100 HydrophobicContact CE2-CG 4.25Å; Y51-K100 HydrophobicContact CG-CB 4.19Å; Y51-K100 HydrophobicContact CG-CG 4.49Å; Y51-E102 HydrophobicContact CD1-CB 4.35Å; Y51-E102 HydrophobicContact CE1-CB 4.19Å; Y51-A104 HydrophobicContact CD1-CB 4.18Å; Y51-A104 HydrophobicContact CG-CB 4.06Å; Y51-P107 VanDerWaalsContact O-O 3.08Å; Y51-T109 HydrophobicContact CD2-CG2 3.98Å; Y51-T109 WeakPolarHBondContact CD2-O 3.32Å; Y51-T109 PolarHBondContact N-O 3Å
52E92.1Very high95.1Very high27 Ų2728.8 Ų28.813%0.12613%0.132CC..Hα-helixtrans43.1-117.7173.4-64.7-169-156.600115.3F54 A55 K56 I103 A104 P107 Q473E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.05Å; E52-A55 WeakPolarHBondContact O-CA 3.35Å; E52-A55 VanDerWaalsContact O-CB 3.26Å; E52-A55 WeakPolarHBondContact O-CB 3.47Å; E52-A55 PolarHBondContact O-N 2.71Å; E52-K56 VanDerWaalsContact O-CG 3.26Å; E52-K56 WeakPolarHBondContact O-CG 3.45Å; E52-K56 PolarHBondContact O-N 3.44Å; E52-I103 VanDerWaalsContact OE1-CG2 3.28Å; E52-I103 WeakPolarHBondContact OE1-CG2 3.23Å; E52-A104 PolarHBondContact OE1-N 3.34Å; E52-P107 HydrophobicContact CB-CB 4.13Å; E52-P107 WeakPolarHBondContact CB-O 3.5Å; E52-P107 WeakPolarHBondContact OE2-CA 3.43Å; E52-P107 WeakPolarHBondContact OE2-CB 3.34Å; E52-Q473 PolarHBondContact OE2-NE2 3.15Å
53S91.9Very high95.2Very high1 Ų125.7 Ų25.71%0.00712%0.12CC..Hα-helixtrans-59.1-42.7-175.3-172.60000111.2H24 Y51 A55 K56 T57 P107 N108H24-S53 PolarHBondContact CE1-OG 2.97Å; H24-S53 VanDerWaalsContact CE1-OG 3.24Å; H24-S53 PolarHBondContact NE2-OG 3.08Å; Y51-S53 PolarHBondContact O-N 2.93Å; S53-A55 VanDerWaalsContact C-N 3.32Å; S53-A55 PolarHBondContact O-N 2.89Å; S53-K56 PolarHBondContact O-N 3.24Å; S53-K56 VanDerWaalsContact O-N 3.17Å; S53-T57 PolarHBondContact O-N 3.41Å; S53-T57 PolarHBondContact O-OG1 2.96Å; S53-P107 PolarHBondContact N-O 3.05Å; S53-N108 WeakPolarHBondContact CB-OD1 3.49Å
54F94.6Very high95.1Very high0 Ų026.5 Ų26.50%013%0.125CC..Hα-helixtrans-57.6-46.7172.6-80.37.9000110.7H24 I31 L50 Y51 E52 K56 Y58 T63 P107 N108 T109 V110H24-F54 HydrophobicContact CB-CE1 4.32Å; H24-F54 AromaticContact CD2-CD1 3.38Å; H24-F54 WeakPolarHBondContact CD2-CD1 3.26Å; H24-F54 AromaticContact CD2-CE1 3.65Å; H24-F54 AromaticContact CG-CE1 3.81Å; H24-F54 AromaticContact NE2-CD1 3.57Å; I31-F54 HydrophobicContact CD1-CE2 4.39Å; L50-F54 HydrophobicContact CB-CB 4.27Å; L50-F54 HydrophobicContact CD2-CB 4.19Å; Y51-F54 WeakPolarHBondContact O-CB 3.48Å; Y51-F54 PolarHBondContact O-N 3.21Å; Y51-F54 VanDerWaalsContact O-N 3.11Å; E52-F54 VanDerWaalsContact C-N 3.29Å; E52-F54 PolarHBondContact O-N 3.05Å; F54-K56 VanDerWaalsContact C-N 3.28Å; F54-K56 PolarHBondContact O-N 3.31Å; F54-Y58 WeakPolarHBondContact O-CB 3.1Å; F54-Y58 PolarHBondContact O-N 3.5Å; F54-Y58 VanDerWaalsContact O-N 3.08Å; F54-T63 HydrophobicContact CD1-CG2 4.24Å; F54-T63 HydrophobicContact CD2-CG2 4.12Å; F54-T63 HydrophobicContact CE1-CG2 4.36Å; F54-T63 HydrophobicContact CE2-CG2 4.27Å; F54-T63 HydrophobicContact CG-CG2 4.08Å; F54-T63 HydrophobicContact CZ-CG2 4.36Å; F54-P107 PolarHBondContact N-O 3.37Å; F54-N108 HydrophobicContact CD1-CB 3.84Å; F54-N108 HydrophobicContact CE1-CB 3.47Å; F54-N108 VanDerWaalsContact CE1-CB 3.47Å; F54-N108 HydrophobicContact CE2-CB 4.27Å; F54-N108 WeakPolarHBondContact CE2-O 3.26Å; F54-N108 HydrophobicContact CG-CB 4.43Å; F54-N108 HydrophobicContact CZ-CB 3.73Å; F54-T109 WeakPolarHBondContact CD2-O 3.4Å; F54-V110 HydrophobicContact CD2-CB 3.99Å; F54-V110 HydrophobicContact CD2-CG1 4.25Å; F54-V110 HydrophobicContact CE2-CB 4.29Å; F54-V110 HydrophobicContact CE2-CG1 4.03Å
55A94.2Very high95.1Very high7 Ų724.1 Ų24.16%0.05811%0.111CC..Hα-helixtrans-59.5-37.8177.900000113.1L50 Y51 E52 S53 P99L50-A55 HydrophobicContact CB-CB 4.28Å; L50-A55 WeakPolarHBondContact O-CB 3.46Å; Y51-A55 PolarHBondContact O-N 2.96Å; Y51-A55 VanDerWaalsContact O-N 3.14Å; E52-A55 WeakPolarHBondContact O-CA 3.35Å; E52-A55 VanDerWaalsContact O-CB 3.26Å; E52-A55 WeakPolarHBondContact O-CB 3.47Å; E52-A55 PolarHBondContact O-N 2.71Å; S53-A55 VanDerWaalsContact C-N 3.32Å; S53-A55 PolarHBondContact O-N 2.89Å; A55-P99 HydrophobicContact CB-CB 4.04Å
56K92.1Very high95Very high115 Ų11522.8 Ų22.850%0.510%0.102SC..Hα-helixtrans-83.9-32.1-172.5-62.3-61.6175153.50113.8E52 S53 F54 E480E52-K56 VanDerWaalsContact O-CG 3.26Å; E52-K56 WeakPolarHBondContact O-CG 3.45Å; E52-K56 PolarHBondContact O-N 3.44Å; S53-K56 PolarHBondContact O-N 3.24Å; S53-K56 VanDerWaalsContact O-N 3.17Å; F54-K56 VanDerWaalsContact C-N 3.28Å; F54-K56 PolarHBondContact O-N 3.31Å; K56-E480 VanDerWaalsContact CE-OE1 3.29Å; K56-E480 WeakPolarHBondContact CE-OE1 3.37Å; K56-E480 IonicContact NZ-OE1 2.63Å; K56-E480 PolarHBondContact NZ-OE1 2.96Å
57T92.8Very high95Very high4 Ų422.6 Ų22.63%0.02510%0.101CC..Hα-helixtrans-128.19.3-167.266.40000114.3H24 S53 R59 G60 H61 E477H24-T57 PolarHBondContact NE2-OG1 3.28Å; S53-T57 PolarHBondContact O-N 3.41Å; S53-T57 PolarHBondContact O-OG1 2.96Å; T57-R59 PolarHBondContact O-N 2.88Å; T57-G60 PolarHBondContact O-N 3.39Å; T57-H61 WeakPolarHBondContact CB-ND1 3.03Å; T57-H61 PolarHBondContact O-N 2.96Å; T57-H61 PolarHBondContact OG1-ND1 2.91Å; T57-E477 VanDerWaalsContact CG2-O 3.26Å; T57-E477 WeakPolarHBondContact CG2-O 3.32Å
58Y94.7Very high95.1Very high30 Ų3020.3 Ų20.312%0.1189%0.091CC..THydrogen-bonded Turntrans-49.5-36.6-175.168-79.9000115.3L50 F54 G62 T63 D64 F97 P99L50-Y58 HydrophobicContact CD1-CD1 3.94Å; L50-Y58 HydrophobicContact CD1-CD2 4.13Å; L50-Y58 HydrophobicContact CD1-CG 3.68Å; F54-Y58 WeakPolarHBondContact O-CB 3.1Å; F54-Y58 PolarHBondContact O-N 3.5Å; F54-Y58 VanDerWaalsContact O-N 3.08Å; Y58-G62 CarbonylContact O-C 3.56Å; Y58-G62 PolarHBondContact O-N 3.39Å; Y58-T63 PolarHBondContact O-N 2.88Å; Y58-D64 HydrophobicContact CD2-CB 3.88Å; Y58-D64 HydrophobicContact CE2-CB 4.47Å; Y58-D64 PolarHBondContact O-N 3.13Å; Y58-F97 HydrophobicContact CE2-CB 4.3Å; Y58-F97 HydrophobicContact CE2-CG 4.39Å; Y58-P99 HydrophobicContact CE1-CG 4Å
59R93.2Very high95Very high138 Ų13820.3 Ų20.352%0.5219%0.091SC..THydrogen-bonded Turntrans-76.1-41177.7-57.3-172.9-177.6176.8-0.4112.8T57 F497T57-R59 PolarHBondContact O-N 2.88Å; R59-F497 HydrophobicContact CB-CD1 4.25Å; R59-F497 HydrophobicContact CB-CE1 3.63Å; R59-F497 HydrophobicContact CB-CZ 4.22Å
60G90.8Very high95Very high8 Ų820 Ų208%0.0829%0.088CC..THydrogen-bonded Turntrans-77.6-35.2-174.300000113T57 G423T57-G60 PolarHBondContact O-N 3.39Å; G60-G423 CarbonylContact C-O 3.46Å; G60-G423 VanDerWaalsContact CA-O 3.25Å; G60-G423 WeakPolarHBondContact CA-O 3.49Å
61H92.4Very high95Very high4 Ų420 Ų202%0.0199%0.088CC..THydrogen-bonded Turntrans-91.70.6174.5-70.4122.3000113.8H24 T25 T57 G423 V425 E477H24-H61 HydrophobicContact CB-CB 3.39Å; H24-H61 AromaticContact CG-CG 4Å; T25-H61 PolarHBondContact OG1-O 2.96Å; T57-H61 WeakPolarHBondContact CB-ND1 3.03Å; T57-H61 PolarHBondContact O-N 2.96Å; T57-H61 PolarHBondContact OG1-ND1 2.91Å; H61-G423 PolarHBondContact N-O 2.87Å; H61-G423 PolarHBondContact ND1-O 3.42Å; H61-V425 WeakPolarHBondContact CD2-CG2 3.45Å; H61-E477 IonicContact CE1-OE1 3.34Å; H61-E477 IonicContact NE2-OE1 2.52Å
62G94.1Very high95.2Very high3 Ų319.3 Ų19.33%0.0319%0.088CC..THydrogen-bonded Turntrans71.828.2175.700000115.2Y58 I65 A66Y58-G62 CarbonylContact O-C 3.56Å; Y58-G62 PolarHBondContact O-N 3.39Å; G62-I65 WeakPolarHBondContact O-CG1 3.4Å; G62-A66 WeakPolarHBondContact O-CB 3.4Å; G62-A66 PolarHBondContact O-N 2.69Å
63T96.1Very high95.3Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-67.6-36.8174.9-520000112.8H24 A28 L50 F54 Y58 A66 L67H24-T63 VanDerWaalsContact CB-OG1 3.28Å; H24-T63 WeakPolarHBondContact CB-OG1 3.47Å; H24-T63 PolarHBondContact CD2-OG1 3.42Å; H24-T63 WeakPolarHBondContact O-CA 3.33Å; H24-T63 PolarHBondContact O-N 3.34Å; H24-T63 PolarHBondContact O-OG1 2.93Å; H24-T63 VanDerWaalsContact O-OG1 3.1Å; A28-T63 HydrophobicContact CB-CG2 4.03Å; L50-T63 HydrophobicContact CD2-CG2 4.24Å; F54-T63 HydrophobicContact CD1-CG2 4.24Å; F54-T63 HydrophobicContact CD2-CG2 4.12Å; F54-T63 HydrophobicContact CE1-CG2 4.36Å; F54-T63 HydrophobicContact CE2-CG2 4.27Å; F54-T63 HydrophobicContact CG-CG2 4.08Å; F54-T63 HydrophobicContact CZ-CG2 4.36Å; Y58-T63 PolarHBondContact O-N 2.88Å; T63-A66 PolarHBondContact O-N 3.42Å; T63-L67 HydrophobicContact CG2-CD1 3.68Å; T63-L67 HydrophobicContact CG2-CG 4.1Å; T63-L67 WeakPolarHBondContact O-CB 3.45Å; T63-L67 VanDerWaalsContact O-CG 3.24Å; T63-L67 WeakPolarHBondContact O-CG 3.45Å; T63-L67 PolarHBondContact O-N 2.8Å
64D97Very high95.5Very high17 Ų1719.6 Ų19.69%0.09110%0.097CC..Hα-helixtrans-59.1-56.1175.740.514.5000112.1Y58 A66 V68 L85 F97Y58-D64 HydrophobicContact CD2-CB 3.88Å; Y58-D64 HydrophobicContact CE2-CB 4.47Å; Y58-D64 PolarHBondContact O-N 3.13Å; D64-A66 VanDerWaalsContact C-N 3.28Å; D64-A66 PolarHBondContact O-N 3.2Å; D64-V68 WeakPolarHBondContact O-CG2 3.48Å; D64-V68 PolarHBondContact O-N 3.37Å; D64-L85 HydrophobicContact CB-CD1 4.38Å; D64-F97 HydrophobicContact CB-CD1 4.4Å; D64-F97 HydrophobicContact CB-CD2 4.42Å; D64-F97 HydrophobicContact CB-CE1 3.76Å; D64-F97 HydrophobicContact CB-CE2 3.76Å; D64-F97 HydrophobicContact CB-CZ 3.39Å
65I96.7Very high95.5Very high22 Ų2223.4 Ų23.411%0.11312%0.115CC..Hα-helixtrans-63.4-37-179.958.4171.6000111.4G62 G69 L81 S84 L85 M316G62-I65 WeakPolarHBondContact O-CG1 3.4Å; I65-G69 PolarHBondContact O-N 2.84Å; I65-L81 WeakPolarHBondContact CB-O 3.34Å; I65-S84 VanDerWaalsContact C-OG 3.31Å; I65-S84 WeakPolarHBondContact CA-OG 3.49Å; I65-S84 WeakPolarHBondContact CB-OG 3.42Å; I65-S84 WeakPolarHBondContact O-CB 3.36Å; I65-S84 PolarHBondContact O-OG 2.94Å; I65-L85 HydrophobicContact CG2-CD1 3.79Å; I65-L85 HydrophobicContact CG2-CG 4.07Å; I65-M316 HydrophobicContact CD1-CE 3.29Å; I65-M316 HydrophobicContact CD1-SD 4.38Å
66A97.5Very high95.6Very high0 Ų023.5 Ų23.50%012%0.115CC..Hα-helixtrans-69.3-49.2-179.800000112.6T25 A28 A29 G62 T63 D64 V68 G69 G70T25-A66 HydrophobicContact CG2-CB 4.02Å; T25-A66 WeakPolarHBondContact O-CB 3.46Å; A28-A66 HydrophobicContact CB-CB 3.58Å; A29-A66 VanDerWaalsContact CA-O 3.27Å; A29-A66 WeakPolarHBondContact CA-O 3.4Å; A29-A66 HydrophobicContact CB-CB 4.19Å; G62-A66 WeakPolarHBondContact O-CB 3.4Å; G62-A66 PolarHBondContact O-N 2.69Å; T63-A66 PolarHBondContact O-N 3.42Å; D64-A66 VanDerWaalsContact C-N 3.28Å; D64-A66 PolarHBondContact O-N 3.2Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.43Å; A66-G69 PolarHBondContact O-N 3.09Å; A66-G70 PolarHBondContact O-N 3.44Å
67L98.4Very high95.7Very high0 Ų020.4 Ų20.40%010%0.103CC..Hα-helixtrans-57.4-45.8178.7-75.4168.4000111.5A28 I31 F48 L50 T63 G70 I71 F97 V110A28-L67 HydrophobicContact CB-CD2 4.19Å; A28-L67 HydrophobicContact CB-CG 4.06Å; A28-L67 WeakPolarHBondContact O-CD2 3.3Å; I31-L67 HydrophobicContact CB-CD2 4.29Å; I31-L67 HydrophobicContact CG2-CD2 4.1Å; F48-L67 HydrophobicContact CD1-CB 4.11Å; F48-L67 HydrophobicContact CD1-CD1 3.7Å; F48-L67 HydrophobicContact CD1-CD2 4.46Å; F48-L67 HydrophobicContact CD1-CG 4.31Å; F48-L67 HydrophobicContact CE1-CB 3.56Å; F48-L67 HydrophobicContact CE1-CD1 4.04Å; F48-L67 HydrophobicContact CE1-CD2 4.26Å; F48-L67 HydrophobicContact CE1-CG 4.16Å; F48-L67 HydrophobicContact CG-CD1 4.24Å; F48-L67 HydrophobicContact CZ-CB 3.85Å; L50-L67 HydrophobicContact CD2-CD1 3.8Å; T63-L67 HydrophobicContact CG2-CD1 3.68Å; T63-L67 HydrophobicContact CG2-CG 4.1Å; T63-L67 WeakPolarHBondContact O-CB 3.45Å; T63-L67 VanDerWaalsContact O-CG 3.24Å; T63-L67 WeakPolarHBondContact O-CG 3.45Å; T63-L67 PolarHBondContact O-N 2.8Å; L67-G70 PolarHBondContact O-N 2.92Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.1Å; L67-I71 VanDerWaalsContact O-N 3.13Å; L67-F97 HydrophobicContact CD1-CE1 4.49Å; L67-V110 HydrophobicContact CD1-CG2 3.97Å; L67-V110 HydrophobicContact CD2-CG1 3.96Å
68V98.4Very high96Very high0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-67.2-44178.7173.50000111F48 D64 A66 G70 I71 L72 L85 A88 M93 V95 F97F48-V68 HydrophobicContact CE2-CG2 3.81Å; F48-V68 HydrophobicContact CZ-CG2 4.04Å; D64-V68 WeakPolarHBondContact O-CG2 3.48Å; D64-V68 PolarHBondContact O-N 3.37Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.43Å; V68-G70 VanDerWaalsContact C-N 3.3Å; V68-G70 PolarHBondContact O-N 3.3Å; V68-I71 PolarHBondContact O-N 3.46Å; V68-I71 VanDerWaalsContact O-N 3.13Å; V68-L72 HydrophobicContact CG1-CD1 4.15Å; V68-L72 WeakPolarHBondContact O-CG 3.24Å; V68-L72 PolarHBondContact O-N 2.8Å; V68-L85 HydrophobicContact CB-CD2 4.25Å; V68-L85 HydrophobicContact CG1-CD2 4.37Å; V68-L85 HydrophobicContact CG2-CD2 3.77Å; V68-A88 HydrophobicContact CG1-CB 3.59Å; V68-M93 HydrophobicContact CG1-CE 3.91Å; V68-V95 HydrophobicContact CG1-CG2 4.5Å; V68-V95 HydrophobicContact CG2-CG1 3.82Å; V68-V95 HydrophobicContact CG2-CG2 4.06Å; V68-F97 HydrophobicContact CG2-CZ 3.81Å
69G98.1Very high95.9Very high0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-57.9-42175.100000112.8I65 A66 I71 L72 G73 M74I65-G69 PolarHBondContact O-N 2.84Å; A66-G69 PolarHBondContact O-N 3.09Å; G69-I71 PolarHBondContact O-N 2.93Å; G69-L72 CarbonylContact O-C 3.51Å; G69-L72 WeakPolarHBondContact O-CA 3.24Å; G69-L72 WeakPolarHBondContact O-CB 3.02Å; G69-L72 PolarHBondContact O-N 2.95Å; G69-G73 PolarHBondContact O-N 3.28Å; G69-G73 VanDerWaalsContact O-N 3.1Å; G69-M74 VanDerWaalsContact O-CB 3.3Å; G69-M74 WeakPolarHBondContact O-CB 3.39Å; G69-M74 WeakPolarHBondContact O-CG 3.29Å; G69-M74 PolarHBondContact O-N 3.48Å
70G97.5Very high96.1Very high0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-57.7-45.9172.600000112.8A29 G32 K33 A66 L67 V68 L72 G73A29-G70 WeakPolarHBondContact O-CA 3.46Å; G32-G70 VanDerWaalsContact C-C 3.44Å; K33-G70 WeakPolarHBondContact CA-O 3.38Å; K33-G70 PolarHBondContact N-O 2.97Å; A66-G70 PolarHBondContact O-N 3.44Å; L67-G70 PolarHBondContact O-N 2.92Å; V68-G70 VanDerWaalsContact C-N 3.3Å; V68-G70 PolarHBondContact O-N 3.3Å; G70-L72 PolarHBondContact O-N 3.24Å; G70-G73 WeakPolarHBondContact O-CA 3.33Å; G70-G73 PolarHBondContact O-N 3.23Å
71I98Very high96.3Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-63.5-30.6174.9-66176.2000112.1R36 P43 V46 F48 L67 V68 G69 G73 M93 L112R36-I71 WeakPolarHBondContact CD-O 3.34Å; R36-I71 WeakPolarHBondContact CG-O 3.36Å; R36-I71 PolarHBondContact NE-O 3.16Å; P43-I71 HydrophobicContact CG-CG2 3.95Å; V46-I71 HydrophobicContact CB-CD1 4.12Å; V46-I71 HydrophobicContact CG1-CD1 3.91Å; V46-I71 HydrophobicContact CG2-CD1 3.75Å; F48-I71 HydrophobicContact CE1-CD1 3.91Å; F48-I71 HydrophobicContact CZ-CD1 3.47Å; F48-I71 VanDerWaalsContact CZ-CD1 3.47Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.1Å; L67-I71 VanDerWaalsContact O-N 3.13Å; V68-I71 PolarHBondContact O-N 3.46Å; V68-I71 VanDerWaalsContact O-N 3.13Å; G69-I71 PolarHBondContact O-N 2.93Å; I71-G73 PolarHBondContact O-N 3.4Å; I71-M93 HydrophobicContact CG2-CE 4.09Å; I71-M93 HydrophobicContact CG2-SD 3.76Å; I71-L112 HydrophobicContact CD1-CD2 4.04Å; I71-L112 HydrophobicContact CG1-CD2 4.44Å
72L97.7Very high96.4Very high30 Ų3026.5 Ų26.516%0.15715%0.146CC..THydrogen-bonded Turntrans-77.8-2172.6-63.5173.4000113V68 G69 G70 M74 S84 I87 A88 M93V68-L72 HydrophobicContact CG1-CD1 4.15Å; V68-L72 WeakPolarHBondContact O-CG 3.24Å; V68-L72 PolarHBondContact O-N 2.8Å; G69-L72 CarbonylContact O-C 3.51Å; G69-L72 WeakPolarHBondContact O-CA 3.24Å; G69-L72 WeakPolarHBondContact O-CB 3.02Å; G69-L72 PolarHBondContact O-N 2.95Å; G70-L72 PolarHBondContact O-N 3.24Å; L72-M74 HydrophobicContact CB-CE 4.02Å; L72-M74 HydrophobicContact CB-CG 4.49Å; L72-M74 HydrophobicContact CD1-CE 3.86Å; L72-S84 WeakPolarHBondContact CD1-O 3.48Å; L72-I87 HydrophobicContact CD1-CB 4.04Å; L72-I87 HydrophobicContact CD1-CG2 3.81Å; L72-A88 HydrophobicContact CD1-CB 4.29Å; L72-M93 HydrophobicContact CD2-CE 4Å; L72-M93 HydrophobicContact CG-CE 4.27Å
73G95.1Very high96.5Very high28 Ų2830.2 Ų30.229%0.28917%0.166SC..THydrogen-bonded Turntrans83.918.3177.300000114.6G69 G70 I71G69-G73 PolarHBondContact O-N 3.28Å; G69-G73 VanDerWaalsContact O-N 3.1Å; G70-G73 WeakPolarHBondContact O-CA 3.33Å; G70-G73 PolarHBondContact O-N 3.23Å; I71-G73 PolarHBondContact O-N 3.4Å
74M97Very high96.5Very high5 Ų530.2 Ų30.23%0.02517%0.166CC..  trans-78144177-59.4173-173.500111G69 L72 D78 R80 L81 I87G69-M74 VanDerWaalsContact O-CB 3.3Å; G69-M74 WeakPolarHBondContact O-CB 3.39Å; G69-M74 WeakPolarHBondContact O-CG 3.29Å; G69-M74 PolarHBondContact O-N 3.48Å; L72-M74 HydrophobicContact CB-CE 4.02Å; L72-M74 HydrophobicContact CB-CG 4.49Å; L72-M74 HydrophobicContact CD1-CE 3.86Å; M74-D78 HydrophobicContact CB-CB 3.93Å; M74-R80 HydrophobicContact CE-CB 3.87Å; M74-R80 HydrophobicContact SD-CB 3.96Å; M74-L81 HydrophobicContact CB-CD2 3.74Å; M74-L81 HydrophobicContact CB-CG 4.29Å; M74-L81 HydrophobicContact SD-CD2 4.01Å; M74-L81 HydrophobicContact SD-CG 4.48Å; M74-I87 HydrophobicContact CE-CD1 3.65Å
75E94.8Very high96.5Very high81 Ų8132.5 Ų32.538%0.37918%0.177SC..  trans-84.8162.8171.4-62.1-63.7175.600111.3K33 D77 D78 L81K33-E75 IonicContact NZ-OE1 2.68Å; K33-E75 PolarHBondContact NZ-OE1 2.98Å; K33-E75 IonicContact NZ-OE2 3.23Å; K33-E75 PolarHBondContact NZ-OE2 3.06Å; E75-D77 WeakPolarHBondContact CB-OD1 3.43Å; E75-D77 PolarHBondContact O-N 3.46Å; E75-D77 VanDerWaalsContact O-N 3.14Å; E75-D78 VanDerWaalsContact O-CB 3.23Å; E75-D78 WeakPolarHBondContact O-CB 3.42Å; E75-D78 PolarHBondContact O-N 3.25Å; E75-L81 WeakPolarHBondContact O-CD1 3.36Å
76P94.7Very high96.6Very high9 Ų937.3 Ų37.36%0.05820%0.197CC..THydrogen-bonded Turntrans-55.5-26.3175.3-29.838.1000115.8M17 V18 A26 R30M17-P76 CarbonylContact C-O 3.58Å; M17-P76 VanDerWaalsContact CA-O 3.28Å; M17-P76 WeakPolarHBondContact CA-O 3.37Å; M17-P76 HydrophobicContact CB-CB 4.03Å; V18-P76 PolarHBondContact N-O 3.43Å; A26-P76 HydrophobicContact CB-CB 3.77Å; A26-P76 HydrophobicContact CB-CG 4.19Å; R30-P76 HydrophobicContact CG-CG 3.94Å
77D95.8Very high96.6Very high49 Ų4938.9 Ų38.926%0.26221%0.206SC..THydrogen-bonded Turntrans-94.24.6178.259.8-9.7000113.5V16 E75 P79 R254 L318V16-D77 HydrophobicContact CG1-CB 4.14Å; E75-D77 WeakPolarHBondContact CB-OD1 3.43Å; E75-D77 PolarHBondContact O-N 3.46Å; E75-D77 VanDerWaalsContact O-N 3.14Å; D77-P79 WeakPolarHBondContact O-CD 3.41Å; D77-R254 IonicContact OD2-CZ 3.84Å; D77-R254 IonicContact OD2-NH2 3.85Å; D77-R254 PolarHBondContact OD2-NH2 2.88Å; D77-L318 HydrophobicContact CB-CD1 3.83Å
78D97.2Very high96.5Very high21 Ų2138.9 Ų38.911%0.11221%0.206CC..  trans-75.6118.6179.9-166.8-35.6000111M74 E75 R80 L81M74-D78 HydrophobicContact CB-CB 3.93Å; E75-D78 VanDerWaalsContact O-CB 3.23Å; E75-D78 WeakPolarHBondContact O-CB 3.42Å; E75-D78 PolarHBondContact O-N 3.25Å; D78-R80 PolarHBondContact O-N 3.49Å; D78-R80 WeakPolarHBondContact OD1-CB 3.41Å; D78-R80 VanDerWaalsContact OD1-CG 3.27Å; D78-R80 WeakPolarHBondContact OD1-CG 3.03Å; D78-R80 IonicContact OD1-CZ 3.86Å; D78-R80 PolarHBondContact OD1-N 2.54Å; D78-R80 IonicContact OD1-NE 3.15Å; D78-R80 PolarHBondContact OD1-NE 3.4Å; D78-R80 IonicContact OD1-NH2 2.73Å; D78-R80 IonicContact OD2-CZ 3.88Å; D78-R80 VanDerWaalsContact OD2-CZ 3.29Å; D78-R80 IonicContact OD2-NE 3.01Å; D78-R80 PolarHBondContact OD2-NE 2.89Å; D78-R80 VanDerWaalsContact OD2-NE 3.14Å; D78-R80 IonicContact OD2-NH2 2.68Å; D78-R80 PolarHBondContact OD2-NH2 2.97Å; D78-L81 HydrophobicContact CB-CG 4.42Å; D78-L81 WeakPolarHBondContact O-CB 3.34Å; D78-L81 WeakPolarHBondContact O-CG 3.47Å; D78-L81 PolarHBondContact O-N 3.22Å; D78-L81 VanDerWaalsContact O-N 3.09Å
79P94.6Very high96.5Very high101 Ų10146.1 Ų46.166%0.65624%0.239SC*.G310 helixtrans-63.2-17.5-179.726.6-35.4000113.2D77 L81 S82D77-P79 WeakPolarHBondContact O-CD 3.41Å; P79-L81 PolarHBondContact O-N 2.94Å; P79-S82 PolarHBondContact O-OG 2.74Å
80R96.3Very high96.4Very high133 Ų13352.4 Ų52.450%0.50227%0.269SS..G310 helixtrans-75.7-9.4178.5-58.1174-65.3170.91.3113.1M74 D78 S82 D83 S84 I87M74-R80 HydrophobicContact CE-CB 3.87Å; M74-R80 HydrophobicContact SD-CB 3.96Å; D78-R80 PolarHBondContact O-N 3.49Å; D78-R80 WeakPolarHBondContact OD1-CB 3.41Å; D78-R80 VanDerWaalsContact OD1-CG 3.27Å; D78-R80 WeakPolarHBondContact OD1-CG 3.03Å; D78-R80 IonicContact OD1-CZ 3.86Å; D78-R80 PolarHBondContact OD1-N 2.54Å; D78-R80 IonicContact OD1-NE 3.15Å; D78-R80 PolarHBondContact OD1-NE 3.4Å; D78-R80 IonicContact OD1-NH2 2.73Å; D78-R80 IonicContact OD2-CZ 3.88Å; D78-R80 VanDerWaalsContact OD2-CZ 3.29Å; D78-R80 IonicContact OD2-NE 3.01Å; D78-R80 PolarHBondContact OD2-NE 2.89Å; D78-R80 VanDerWaalsContact OD2-NE 3.14Å; D78-R80 IonicContact OD2-NH2 2.68Å; D78-R80 PolarHBondContact OD2-NH2 2.97Å; R80-S82 PolarHBondContact O-N 3.13Å; R80-D83 CarbonylContact O-C 3.57Å; R80-D83 PolarHBondContact O-N 3Å; R80-S84 PolarHBondContact O-N 3.41Å; R80-S84 VanDerWaalsContact O-N 3.17Å; R80-I87 HydrophobicContact CB-CD1 4.2Å
81L96Very high96.4Very high0 Ų056.9 Ų56.90%029%0.29CS..G310 helixtrans-52.9-39178.1-80.1177.3000111.6V18 A29 I65 M74 E75 D78 P79 D83 S84V18-L81 HydrophobicContact CG2-CB 3.93Å; V18-L81 HydrophobicContact CG2-CD1 3.46Å; V18-L81 VanDerWaalsContact CG2-CD1 3.46Å; V18-L81 HydrophobicContact CG2-CG 4.27Å; A29-L81 HydrophobicContact CB-CD1 4.42Å; A29-L81 HydrophobicContact CB-CD2 4.29Å; I65-L81 WeakPolarHBondContact CB-O 3.34Å; M74-L81 HydrophobicContact CB-CD2 3.74Å; M74-L81 HydrophobicContact CB-CG 4.29Å; M74-L81 HydrophobicContact SD-CD2 4.01Å; M74-L81 HydrophobicContact SD-CG 4.48Å; E75-L81 WeakPolarHBondContact O-CD1 3.36Å; D78-L81 HydrophobicContact CB-CG 4.42Å; D78-L81 WeakPolarHBondContact O-CB 3.34Å; D78-L81 WeakPolarHBondContact O-CG 3.47Å; D78-L81 PolarHBondContact O-N 3.22Å; D78-L81 VanDerWaalsContact O-N 3.09Å; P79-L81 PolarHBondContact O-N 2.94Å; L81-D83 PolarHBondContact O-N 3.24Å; L81-S84 WeakPolarHBondContact O-CB 3.47Å; L81-S84 PolarHBondContact O-N 3.42Å; L81-S84 PolarHBondContact O-OG 3.26Å
82S93.4Very high96.3Very high57 Ų5759.6 Ų59.640%0.39932%0.318SS..G310 helixtrans-62.7-25.6177.256.40000114.4P79 R80P79-S82 PolarHBondContact O-OG 2.74Å; R80-S82 PolarHBondContact O-N 3.13Å
83D95.6Very high96.3Very high82 Ų8258.5 Ų58.544%0.43931%0.312SS..G310 helixtrans-1012.1179.9-69.7-49000112.9R80 L81 L85 K86 I87R80-D83 CarbonylContact O-C 3.57Å; R80-D83 PolarHBondContact O-N 3Å; L81-D83 PolarHBondContact O-N 3.24Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.22Å; D83-K86 WeakPolarHBondContact O-CA 3.14Å; D83-K86 WeakPolarHBondContact O-CB 3.32Å; D83-K86 PolarHBondContact O-N 3.43Å; D83-I87 HydrophobicContact CB-CD1 3.94Å; D83-I87 HydrophobicContact CB-CG1 4.32Å; D83-I87 WeakPolarHBondContact O-CG1 3.23Å; D83-I87 PolarHBondContact O-N 3.19Å
84S97.6Very high96.4Very high0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-52.4-43.5-173.655.90000114.3I65 L72 R80 L81 K86 I87 A88I65-S84 VanDerWaalsContact C-OG 3.31Å; I65-S84 WeakPolarHBondContact CA-OG 3.49Å; I65-S84 WeakPolarHBondContact CB-OG 3.42Å; I65-S84 WeakPolarHBondContact O-CB 3.36Å; I65-S84 PolarHBondContact O-OG 2.94Å; L72-S84 WeakPolarHBondContact CD1-O 3.48Å; R80-S84 PolarHBondContact O-N 3.41Å; R80-S84 VanDerWaalsContact O-N 3.17Å; L81-S84 WeakPolarHBondContact O-CB 3.47Å; L81-S84 PolarHBondContact O-N 3.42Å; L81-S84 PolarHBondContact O-OG 3.26Å; S84-K86 VanDerWaalsContact C-N 3.35Å; S84-K86 PolarHBondContact O-N 3.35Å; S84-I87 PolarHBondContact O-N 3.23Å; S84-A88 VanDerWaalsContact O-CB 3.32Å; S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 3.02Å
85L97Very high96.5Very high64 Ų6466 Ų6634%0.33534%0.342SS..Hα-helixtrans-63.2-40.6177.4-71.4171.9000112.2D64 I65 V68 D83 H89 V95 F97D64-L85 HydrophobicContact CB-CD1 4.38Å; I65-L85 HydrophobicContact CG2-CD1 3.79Å; I65-L85 HydrophobicContact CG2-CG 4.07Å; V68-L85 HydrophobicContact CB-CD2 4.25Å; V68-L85 HydrophobicContact CG1-CD2 4.37Å; V68-L85 HydrophobicContact CG2-CD2 3.77Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.22Å; L85-H89 PolarHBondContact O-N 3.46Å; L85-H89 VanDerWaalsContact O-N 3.08Å; L85-V95 HydrophobicContact CD2-CG1 4.3Å; L85-F97 HydrophobicContact CD2-CE2 3.84Å; L85-F97 HydrophobicContact CD2-CZ 4.03Å
86K97.1Very high96.6Very high123 Ų12366.4 Ų66.454%0.53535%0.347SS..Hα-helixtrans-66.1-46.1176176.2-176.2169.2-170.20110.4D83 S84 A88 H89 E90D83-K86 WeakPolarHBondContact O-CA 3.14Å; D83-K86 WeakPolarHBondContact O-CB 3.32Å; D83-K86 PolarHBondContact O-N 3.43Å; S84-K86 VanDerWaalsContact C-N 3.35Å; S84-K86 PolarHBondContact O-N 3.35Å; K86-A88 VanDerWaalsContact C-N 3.33Å; K86-A88 PolarHBondContact O-N 2.93Å; K86-H89 PolarHBondContact O-N 3.05Å; K86-E90 WeakPolarHBondContact CE-OE1 3.33Å; K86-E90 IonicContact NZ-OE1 3.73Å; K86-E90 WeakPolarHBondContact O-CG 3.13Å; K86-E90 PolarHBondContact O-N 3.47Å
87I97.9Very high96.8Very high33 Ų3367.9 Ų67.917%0.16935%0.352CS..Hα-helixtrans-61.6-42.2178.3-65.8164.6000110.7L72 M74 R80 D83 S84 E90 Q91L72-I87 HydrophobicContact CD1-CB 4.04Å; L72-I87 HydrophobicContact CD1-CG2 3.81Å; M74-I87 HydrophobicContact CE-CD1 3.65Å; R80-I87 HydrophobicContact CB-CD1 4.2Å; D83-I87 HydrophobicContact CB-CD1 3.94Å; D83-I87 HydrophobicContact CB-CG1 4.32Å; D83-I87 WeakPolarHBondContact O-CG1 3.23Å; D83-I87 PolarHBondContact O-N 3.19Å; S84-I87 PolarHBondContact O-N 3.23Å; I87-E90 PolarHBondContact O-N 3.09Å; I87-Q91 HydrophobicContact CG2-CG 4.5Å; I87-Q91 VanDerWaalsContact CG2-NE2 3.33Å; I87-Q91 WeakPolarHBondContact O-CB 3.47Å; I87-Q91 VanDerWaalsContact O-CG 3.28Å; I87-Q91 WeakPolarHBondContact O-CG 3.41Å; I87-Q91 PolarHBondContact O-N 3.39Å
88A97.8Very high96.9Very high1 Ų167.3 Ų67.31%0.00835%0.35CS..Hα-helixtrans-58.7-47.9175.300000111.7V68 L72 S84 K86 Q91 G92 M93 V95V68-A88 HydrophobicContact CG1-CB 3.59Å; L72-A88 HydrophobicContact CD1-CB 4.29Å; S84-A88 VanDerWaalsContact O-CB 3.32Å; S84-A88 WeakPolarHBondContact O-CB 3.41Å; S84-A88 PolarHBondContact O-N 3.02Å; K86-A88 VanDerWaalsContact C-N 3.33Å; K86-A88 PolarHBondContact O-N 2.93Å; A88-Q91 CarbonylContact O-C 3.5Å; A88-Q91 PolarHBondContact O-N 3.28Å; A88-G92 PolarHBondContact O-N 2.85Å; A88-M93 HydrophobicContact CB-CB 4.26Å; A88-M93 HydrophobicContact CB-CE 3.51Å; A88-M93 PolarHBondContact O-N 3.39Å; A88-V95 HydrophobicContact CB-CG2 4.31Å
89H97Very high96.8Very high152 Ų15269.3 Ų69.370%0.70437%0.365SS*.Hα-helixtrans-61.3-45.8177.2-178.767.4000112.4L85 K86 Q91 G92L85-H89 PolarHBondContact O-N 3.46Å; L85-H89 VanDerWaalsContact O-N 3.08Å; K86-H89 PolarHBondContact O-N 3.05Å; H89-Q91 PolarHBondContact O-N 3.4Å; H89-G92 PolarHBondContact O-N 2.91Å
90E97.4Very high96.8Very high132 Ų13266.6 Ų66.662%0.61734%0.342SS*.Hα-helixtrans-62.6-28.3176.7-71.9173.8174.600112.6K86 I87 G92K86-E90 WeakPolarHBondContact CE-OE1 3.33Å; K86-E90 IonicContact NZ-OE1 3.73Å; K86-E90 WeakPolarHBondContact O-CG 3.13Å; K86-E90 PolarHBondContact O-N 3.47Å; I87-E90 PolarHBondContact O-N 3.09Å; E90-G92 VanDerWaalsContact C-N 3.33Å
91Q96.4Very high96.5Very high94 Ų9468.9 Ų68.944%0.43936%0.356SS..THydrogen-bonded Turntrans-88.15.1174.6-68.1-176.822.400114.1R42 I87 A88 H89 M93R42-Q91 PolarHBondContact NH2-O 3.37Å; I87-Q91 HydrophobicContact CG2-CG 4.5Å; I87-Q91 VanDerWaalsContact CG2-NE2 3.33Å; I87-Q91 WeakPolarHBondContact O-CB 3.47Å; I87-Q91 VanDerWaalsContact O-CG 3.28Å; I87-Q91 WeakPolarHBondContact O-CG 3.41Å; I87-Q91 PolarHBondContact O-N 3.39Å; A88-Q91 CarbonylContact O-C 3.5Å; A88-Q91 PolarHBondContact O-N 3.28Å; H89-Q91 PolarHBondContact O-N 3.4Å; Q91-M93 VanDerWaalsContact C-N 3.31Å; Q91-M93 PolarHBondContact O-N 3.08Å
92G96.3Very high96.3Very high57 Ų5774.2 Ų74.259%0.58838%0.381SS*.THydrogen-bonded Turntrans67.527.4179.800000114A88 H89 E90A88-G92 PolarHBondContact O-N 2.85Å; H89-G92 PolarHBondContact O-N 2.91Å; E90-G92 VanDerWaalsContact C-N 3.33Å
93M97.9Very high95.9Very high7 Ų778.3 Ų78.33%0.03440%0.397CS..  trans-89.9118.5173.2-168.717069.100109.8R42 P43 D44 V68 I71 L72 A88 Q91 V95R42-M93 HydrophobicContact CG-SD 3.99Å; P43-M93 HydrophobicContact CG-SD 4.23Å; D44-M93 CarbonylContact O-C 3.51Å; D44-M93 WeakPolarHBondContact O-CA 3.38Å; V68-M93 HydrophobicContact CG1-CE 3.91Å; I71-M93 HydrophobicContact CG2-CE 4.09Å; I71-M93 HydrophobicContact CG2-SD 3.76Å; L72-M93 HydrophobicContact CD2-CE 4Å; L72-M93 HydrophobicContact CG-CE 4.27Å; A88-M93 HydrophobicContact CB-CB 4.26Å; A88-M93 HydrophobicContact CB-CE 3.51Å; A88-M93 PolarHBondContact O-N 3.39Å; Q91-M93 VanDerWaalsContact C-N 3.31Å; Q91-M93 PolarHBondContact O-N 3.08Å; M93-V95 HydrophobicContact CE-CG2 4.11Å
94E97.7Very high95.6Very high144 Ų14475.4 Ų75.467%0.67338%0.384SS*.EExtended strand (participates in β ladder)trans-78133.1175.4-64.5-176.9175.400110.4D44 S45 V46D44-E94 PolarHBondContact O-N 3.41Å; S45-E94 CarbonylContact C-O 3.09Å; S45-E94 VanDerWaalsContact CA-O 3.27Å; S45-E94 WeakPolarHBondContact CA-O 3.34Å; V46-E94 PolarHBondContact N-O 2.87Å
95V98Very high95Very high45 Ų4584 Ų8427%0.27343%0.43SS..EExtended strand (participates in β ladder)trans-129.6127.8-176.2173.20000109.6V46 F48 V68 L85 A88 M93 F97V46-V95 HydrophobicContact CG1-CG2 3.94Å; V46-V95 WeakPolarHBondContact O-CA 3.34Å; F48-V95 HydrophobicContact CD2-CG1 4.15Å; F48-V95 HydrophobicContact CE2-CG1 3.83Å; V68-V95 HydrophobicContact CG1-CG2 4.5Å; V68-V95 HydrophobicContact CG2-CG1 3.82Å; V68-V95 HydrophobicContact CG2-CG2 4.06Å; L85-V95 HydrophobicContact CD2-CG1 4.3Å; A88-V95 HydrophobicContact CB-CG2 4.31Å; M93-V95 HydrophobicContact CE-CG2 4.11Å; V95-F97 HydrophobicContact CG1-CD2 4.05Å; V95-F97 HydrophobicContact CG1-CE1 4.45Å; V95-F97 HydrophobicContact CG1-CE2 3.37Å; V95-F97 HydrophobicContact CG1-CZ 3.61Å
96L97.8Very high94.7Very high91 Ų9182.1 Ų82.148%0.47642%0.419SS..EExtended strand (participates in β ladder)trans-127.7132.6175.4-179.862.9000110.7V46 E47 F48 V98V46-L96 PolarHBondContact O-N 3.02Å; E47-L96 CarbonylContact C-O 3.57Å; E47-L96 WeakPolarHBondContact CA-O 3.24Å; E47-L96 HydrophobicContact CB-CB 4.38Å; E47-L96 HydrophobicContact CG-CB 4.29Å; E47-L96 HydrophobicContact CG-CD2 3.95Å; E47-L96 HydrophobicContact CG-CG 4.21Å; F48-L96 WeakPolarHBondContact CD2-O 3.34Å; F48-L96 PolarHBondContact N-O 3.45Å; L96-V98 HydrophobicContact CD2-CG2 4.07Å; L96-V98 HydrophobicContact CG-CG2 3.95Å
97F98Very high94.3Very high39 Ų3977.2 Ų77.217%0.17140%0.4CS..EExtended strand (participates in β ladder)trans-111.2128.6173.2-61.7-81.4000110.1F48 L50 Y58 D64 L67 V68 L85 V95F48-F97 HydrophobicContact CB-CD1 3.67Å; F48-F97 HydrophobicContact CB-CE1 4.12Å; F48-F97 AromaticContact CD2-CD1 3.63Å; F48-F97 HydrophobicContact CD2-CD1 3.63Å; F48-F97 AromaticContact CD2-CE1 3.35Å; F48-F97 HydrophobicContact CD2-CE1 3.35Å; F48-F97 HydrophobicContact CD2-CG 4.42Å; F48-F97 AromaticContact CD2-CZ 3.96Å; F48-F97 HydrophobicContact CD2-CZ 3.96Å; F48-F97 AromaticContact CE2-CE1 3.8Å; F48-F97 HydrophobicContact CE2-CE1 3.8Å; F48-F97 HydrophobicContact CE2-CZ 4.08Å; F48-F97 AromaticContact CG-CD1 3.89Å; F48-F97 HydrophobicContact CG-CD1 3.89Å; F48-F97 AromaticContact CG-CE1 3.81Å; F48-F97 HydrophobicContact CG-CE1 3.81Å; L50-F97 HydrophobicContact CD1-CB 4.17Å; L50-F97 HydrophobicContact CD1-CD1 4.01Å; Y58-F97 HydrophobicContact CE2-CB 4.3Å; Y58-F97 HydrophobicContact CE2-CG 4.39Å; D64-F97 HydrophobicContact CB-CD1 4.4Å; D64-F97 HydrophobicContact CB-CD2 4.42Å; D64-F97 HydrophobicContact CB-CE1 3.76Å; D64-F97 HydrophobicContact CB-CE2 3.76Å; D64-F97 HydrophobicContact CB-CZ 3.39Å; L67-F97 HydrophobicContact CD1-CE1 4.49Å; V68-F97 HydrophobicContact CG2-CZ 3.81Å; L85-F97 HydrophobicContact CD2-CE2 3.84Å; L85-F97 HydrophobicContact CD2-CZ 4.03Å; V95-F97 HydrophobicContact CG1-CD2 4.05Å; V95-F97 HydrophobicContact CG1-CE1 4.45Å; V95-F97 HydrophobicContact CG1-CE2 3.37Å; V95-F97 HydrophobicContact CG1-CZ 3.61Å
98V97.2Very high94.1Very high37 Ų3775.6 Ų75.622%0.22439%0.392CS..EExtended strand (participates in β ladder)trans-12494.8-177-175.50000109.5E47 F48 D49 L50 L96 K100E47-V98 HydrophobicContact CG-CG2 3.92Å; E47-V98 WeakPolarHBondContact OE1-CG2 3.39Å; F48-V98 PolarHBondContact O-N 3.49Å; D49-V98 WeakPolarHBondContact CA-O 3.28Å; L50-V98 PolarHBondContact N-O 3.15Å; L96-V98 HydrophobicContact CD2-CG2 4.07Å; L96-V98 HydrophobicContact CG-CG2 3.95Å; V98-K100 HydrophobicContact CG1-CD 4.32Å; V98-K100 PolarHBondContact O-N 3.48Å
99P95.7Very high94.1Very high64 Ų6476.1 Ų76.142%0.41640%0.395SS..EExtended strand (participates in β ladder)trans-63.1118.8171.6-21.834.2000110.9A55 Y58A55-P99 HydrophobicContact CB-CB 4.04Å; Y58-P99 HydrophobicContact CE1-CG 4Å
100K95.6Very high94.1Very high44 Ų4468.9 Ų68.919%0.19136%0.361CS..  trans-86.8149.6177.7-65.8-61.2-174-169.60111.2D49 L50 Y51 V98 E102D49-K100 HydrophobicContact CB-CD 4.45Å; D49-K100 HydrophobicContact CB-CG 4.06Å; D49-K100 WeakPolarHBondContact OD1-CE 3.38Å; D49-K100 IonicContact OD1-NZ 2.65Å; D49-K100 PolarHBondContact OD1-NZ 3.49Å; D49-K100 IonicContact OD2-NZ 3.94Å; L50-K100 VanDerWaalsContact O-CB 3.31Å; L50-K100 WeakPolarHBondContact O-CB 3.4Å; L50-K100 PolarHBondContact O-N 3.4Å; Y51-K100 HydrophobicContact CD1-CB 3.63Å; Y51-K100 HydrophobicContact CD1-CG 4.05Å; Y51-K100 HydrophobicContact CE1-CB 3.7Å; Y51-K100 HydrophobicContact CE1-CG 3.68Å; Y51-K100 HydrophobicContact CE2-CG 4.25Å; Y51-K100 HydrophobicContact CG-CB 4.19Å; Y51-K100 HydrophobicContact CG-CG 4.49Å; V98-K100 HydrophobicContact CG1-CD 4.32Å; V98-K100 PolarHBondContact O-N 3.48Å; K100-E102 VanDerWaalsContact CB-OE2 3.25Å; K100-E102 WeakPolarHBondContact CB-OE2 3.49Å
101K89.8Confident94.1Very high180 Ų18063.2 Ų63.278%0.78334%0.336SS*.  trans-98-13.7175.5-66.5-177.9-177.6174.90111.6
102E90.5Very high94.2Very high112 Ų11258.8 Ų58.852%0.52332%0.315SS..SBendtrans-65.7143.5177.6-62.187.4158.900110.8Y51 K100Y51-E102 HydrophobicContact CD1-CB 4.35Å; Y51-E102 HydrophobicContact CE1-CB 4.19Å; K100-E102 VanDerWaalsContact CB-OE2 3.25Å; K100-E102 WeakPolarHBondContact CB-OE2 3.49Å
103I85.6Confident94.3Very high144 Ų14459.3 Ų59.374%0.73830%0.3SS*.  trans-80.9133.5173.8-63.5175.9000107.5E52E52-I103 VanDerWaalsContact OE1-CG2 3.28Å; E52-I103 WeakPolarHBondContact OE1-CG2 3.23Å
104A88.6Confident94.3Very high20 Ų2059 Ų5917%0.16530%0.298CS..  trans-106.7165.1176.900000110Y51 E52 H106 T109Y51-A104 HydrophobicContact CD1-CB 4.18Å; Y51-A104 HydrophobicContact CG-CB 4.06Å; E52-A104 PolarHBondContact OE1-N 3.34Å; A104-H106 PolarHBondContact O-N 3.03Å; A104-T109 HydrophobicContact CB-CG2 4.31Å
105D85.8Confident94.3Very high182 Ų18255 Ų5597%0.97328%0.281SS*.SBendtrans-65.4-24.5177.1-69.1-27.2000112.5
106H90.3Very high94.3Very high23 Ų2355.8 Ų55.811%0.10628%0.28CS..SBendtrans-135.1139.6175.3-168.4-87.4000110.9A104 N108 T109 V126 S127 E373A104-H106 PolarHBondContact O-N 3.03Å; H106-N108 PolarHBondContact ND1-N 3.2Å; H106-N108 VanDerWaalsContact ND1-N 3.18Å; H106-N108 PolarHBondContact O-N 3.21Å; H106-N108 VanDerWaalsContact O-N 3.12Å; H106-T109 WeakPolarHBondContact O-CB 3.41Å; H106-T109 PolarHBondContact O-N 3.14Å; H106-T109 PolarHBondContact O-OG1 3.48Å; H106-V126 HydrophobicContact CB-CG1 3.46Å; H106-V126 VanDerWaalsContact CB-CG1 3.46Å; H106-V126 HydrophobicContact CB-CG2 4.44Å; H106-V126 VanDerWaalsContact ND1-CG1 3.31Å; H106-V126 WeakPolarHBondContact ND1-CG1 3.14Å; H106-S127 PolarHBondContact CE1-O 3.1Å; H106-S127 PolarHBondContact ND1-O 3.08Å; H106-E373 IonicContact NE2-OE1 3.29Å
107P90.1Very high94.1Very high20 Ų2054.1 Ų54.113%0.1329%0.286CS..SBendtrans-64.8-20.1-174.824.3-36.3000114.8Y51 E52 S53 F54 A372 E373Y51-P107 VanDerWaalsContact O-O 3.08Å; E52-P107 HydrophobicContact CB-CB 4.13Å; E52-P107 WeakPolarHBondContact CB-O 3.5Å; E52-P107 WeakPolarHBondContact OE2-CA 3.43Å; E52-P107 WeakPolarHBondContact OE2-CB 3.34Å; S53-P107 PolarHBondContact N-O 3.05Å; F54-P107 PolarHBondContact N-O 3.37Å; P107-A372 HydrophobicContact CB-CB 4.09Å; P107-A372 HydrophobicContact CG-CB 3.77Å; P107-E373 HydrophobicContact CG-CG 4.49Å
108N93.8Very high93.9Very high0 Ų060.8 Ų60.80%032%0.323CS..SBendtrans-10854.3-178.5-60-20000110.9S53 F54 H106 V126 S127S53-N108 WeakPolarHBondContact CB-OD1 3.49Å; F54-N108 HydrophobicContact CD1-CB 3.84Å; F54-N108 HydrophobicContact CE1-CB 3.47Å; F54-N108 VanDerWaalsContact CE1-CB 3.47Å; F54-N108 HydrophobicContact CE2-CB 4.27Å; F54-N108 WeakPolarHBondContact CE2-O 3.26Å; F54-N108 HydrophobicContact CG-CB 4.43Å; F54-N108 HydrophobicContact CZ-CB 3.73Å; H106-N108 PolarHBondContact ND1-N 3.2Å; H106-N108 VanDerWaalsContact ND1-N 3.18Å; H106-N108 PolarHBondContact O-N 3.21Å; H106-N108 VanDerWaalsContact O-N 3.12Å; N108-V126 WeakPolarHBondContact O-CA 3.4Å; N108-S127 VanDerWaalsContact CB-O 3.27Å; N108-S127 WeakPolarHBondContact CB-O 3.49Å; N108-S127 PolarHBondContact ND2-O 2.91Å; N108-S127 PolarHBondContact O-N 3.45Å
109T96.4Very high93.6Very high11 Ų1162.6 Ų62.67%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-103.9140.9-178.2-59.10000110.7Y51 F54 A104 H106 T124 V126Y51-T109 HydrophobicContact CD2-CG2 3.98Å; Y51-T109 WeakPolarHBondContact CD2-O 3.32Å; Y51-T109 PolarHBondContact N-O 3Å; F54-T109 WeakPolarHBondContact CD2-O 3.4Å; A104-T109 HydrophobicContact CB-CG2 4.31Å; H106-T109 WeakPolarHBondContact O-CB 3.41Å; H106-T109 PolarHBondContact O-N 3.14Å; H106-T109 PolarHBondContact O-OG1 3.48Å; T109-T124 HydrophobicContact CG2-CG2 3.69Å; T109-V126 HydrophobicContact CG2-CG2 4.24Å
110V97.9Very high93.6Very high0 Ų065.5 Ų65.50%034%0.339CS..EExtended strand (participates in β ladder)trans-140.7138.2172.657.80000111.3I31 F48 D49 L50 F54 L67 L112 T124 G125I31-V110 HydrophobicContact CD1-CG1 4.17Å; I31-V110 HydrophobicContact CG2-CG1 3.86Å; F48-V110 HydrophobicContact CB-CG2 4.26Å; F48-V110 HydrophobicContact CD1-CG2 4.11Å; D49-V110 CarbonylContact O-C 3.54Å; D49-V110 VanDerWaalsContact O-CA 3.24Å; D49-V110 WeakPolarHBondContact O-CA 3.48Å; L50-V110 HydrophobicContact CD2-CB 4.17Å; L50-V110 HydrophobicContact CD2-CG2 3.73Å; F54-V110 HydrophobicContact CD2-CB 3.99Å; F54-V110 HydrophobicContact CD2-CG1 4.25Å; F54-V110 HydrophobicContact CE2-CB 4.29Å; F54-V110 HydrophobicContact CE2-CG1 4.03Å; L67-V110 HydrophobicContact CD1-CG2 3.97Å; L67-V110 HydrophobicContact CD2-CG1 3.96Å; V110-L112 HydrophobicContact CB-CD1 4.45Å; V110-L112 HydrophobicContact CG1-CD1 3.85Å; V110-L112 HydrophobicContact CG2-CD1 3.92Å; V110-T124 CarbonylContact O-C 3.54Å; V110-T124 WeakPolarHBondContact O-CA 3.49Å; V110-G125 PolarHBondContact N-O 3.4Å; V110-G125 PolarHBondContact O-N 3.03Å
111T97.9Very high93.5Very high14 Ų1464.1 Ų64.19%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-108.3125168.1-56.40000109.9F48 D49 S122 V123 T124F48-T111 WeakPolarHBondContact CA-O 3.33Å; D49-T111 PolarHBondContact N-O 3.35Å; D49-T111 PolarHBondContact O-N 3.13Å; T111-S122 WeakPolarHBondContact CG2-OG 3.24Å; T111-V123 WeakPolarHBondContact CA-O 3.25Å; T111-T124 WeakPolarHBondContact CG2-OG1 3.49Å; T111-T124 PolarHBondContact OG1-OG1 3.27Å
112L98.1Very high93.8Very high0 Ų056.7 Ų56.70%030%0.304CS..EExtended strand (participates in β ladder)trans-101.3117.7178.6-69.379.6000108.9I31 C35 E47 F48 I71 V110 M114 S122 V123I31-L112 HydrophobicContact CG2-CD1 3.84Å; C35-L112 HydrophobicContact CB-CD2 3.68Å; E47-L112 WeakPolarHBondContact O-CA 3.4Å; F48-L112 HydrophobicContact CD1-CD1 4.39Å; F48-L112 HydrophobicContact CD1-CD2 4.12Å; F48-L112 HydrophobicContact CD1-CG 3.66Å; F48-L112 HydrophobicContact CE1-CD2 3.52Å; F48-L112 HydrophobicContact CE1-CG 3.61Å; I71-L112 HydrophobicContact CD1-CD2 4.04Å; I71-L112 HydrophobicContact CG1-CD2 4.44Å; V110-L112 HydrophobicContact CB-CD1 4.45Å; V110-L112 HydrophobicContact CG1-CD1 3.85Å; V110-L112 HydrophobicContact CG2-CD1 3.92Å; L112-M114 HydrophobicContact CB-CG 4.42Å; L112-S122 CarbonylContact O-C 3.59Å; L112-S122 VanDerWaalsContact O-CA 3.27Å; L112-S122 WeakPolarHBondContact O-CA 3.31Å; L112-V123 PolarHBondContact N-O 3.12Å; L112-V123 PolarHBondContact O-N 3.04Å
113R98Very high94.1Very high69 Ų6951.3 Ų51.326%0.2628%0.279SS..EExtended strand (participates in β ladder)trans-101.1105.7169.5-71.3-177.6-95.2147.8-2.7108.6V46 E47 D49V46-R113 CarbonylContact C-O 3.44Å; V46-R113 VanDerWaalsContact CA-O 3.32Å; V46-R113 WeakPolarHBondContact CA-O 3.2Å; E47-R113 HydrophobicContact CB-CB 4.26Å; E47-R113 VanDerWaalsContact CD-NH1 3.26Å; E47-R113 PolarHBondContact N-O 3.41Å; E47-R113 PolarHBondContact O-N 3.43Å; E47-R113 IonicContact OE1-CZ 2.78Å; E47-R113 IonicContact OE1-NH1 3.68Å; E47-R113 PolarHBondContact OE1-NH1 3.49Å; E47-R113 IonicContact OE1-NH2 3.22Å; E47-R113 PolarHBondContact OE1-NH2 3.49Å; E47-R113 IonicContact OE2-CZ 2.74Å; E47-R113 IonicContact OE2-NH1 2.99Å; E47-R113 PolarHBondContact OE2-NH1 2.99Å; E47-R113 IonicContact OE2-NH2 3.85Å; D49-R113 IonicContact OD1-CZ 3.14Å; D49-R113 IonicContact OD1-NH2 2.95Å; D49-R113 PolarHBondContact OD1-NH2 2.75Å; D49-R113 IonicContact OD2-CZ 3.29Å; D49-R113 VanDerWaalsContact OD2-CZ 3.29Å; D49-R113 IonicContact OD2-NE 2.65Å; D49-R113 PolarHBondContact OD2-NE 3.48Å; D49-R113 IonicContact OD2-NH2 3.88Å; D49-R113 PolarHBondContact OD2-NH2 2.9Å
114M98Very high94.6Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-106.4133.7-174.7-65.6173.5-6900110.1C35 F39 P43 V46 L112 E120 M121 V123C35-M114 HydrophobicContact CB-CE 4.03Å; C35-M114 HydrophobicContact CB-SD 4.21Å; C35-M114 WeakPolarHBondContact O-CE 3.47Å; F39-M114 HydrophobicContact CB-CE 3.84Å; F39-M114 HydrophobicContact CB-SD 3.95Å; F39-M114 HydrophobicContact CD2-CB 3.76Å; F39-M114 HydrophobicContact CD2-CE 4.02Å; F39-M114 HydrophobicContact CD2-SD 4.39Å; F39-M114 HydrophobicContact CE2-CB 3.73Å; F39-M114 WeakPolarHBondContact CE2-O 3.33Å; F39-M114 HydrophobicContact CG-CB 4.19Å; F39-M114 HydrophobicContact CG-CE 4.19Å; F39-M114 HydrophobicContact CG-SD 4.17Å; F39-M114 HydrophobicContact CZ-CB 4.16Å; P43-M114 HydrophobicContact CB-CB 4.06Å; P43-M114 HydrophobicContact CG-CB 4.32Å; P43-M114 HydrophobicContact CG-CG 4.25Å; V46-M114 HydrophobicContact CB-CG 4.46Å; V46-M114 HydrophobicContact CG2-CG 3.98Å; L112-M114 HydrophobicContact CB-CG 4.42Å; M114-E120 WeakPolarHBondContact O-CA 3.39Å; M114-M121 PolarHBondContact N-O 3.35Å; M114-M121 PolarHBondContact O-N 3.01Å; M114-V123 HydrophobicContact CE-CB 4.44Å; M114-V123 HydrophobicContact CE-CG2 3.82Å
115I97.9Very high94.9Very high61 Ų6144 Ų4431%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-129.2136.4-177.4-56.5172.4000110.3P43 D44 S45 L119 E120P43-I115 WeakPolarHBondContact CB-O 3.36Å; D44-I115 PolarHBondContact N-O 3.39Å; S45-I115 PolarHBondContact N-O 3.4Å; S45-I115 PolarHBondContact O-N 3.21Å; I115-L119 CarbonylContact C-O 3.53Å; I115-L119 WeakPolarHBondContact CA-O 3.4Å; I115-E120 HydrophobicContact CG1-CB 4.41Å; I115-E120 HydrophobicContact CG1-CG 4.09Å
116K96.7Very high95.3Very high60 Ų6035.9 Ų35.926%0.26120%0.196SC..EExtended strand (participates in β ladder)trans-145.2112.4168.7-171.9173.9-162.1148.30111F39 E41 R42 D44 D118 L119F39-K116 HydrophobicContact CE1-CB 3.81Å; F39-K116 HydrophobicContact CZ-CB 3.87Å; E41-K116 HydrophobicContact CG-CD 3.8Å; E41-K116 VanDerWaalsContact OE2-CD 3.23Å; E41-K116 WeakPolarHBondContact OE2-CD 3.25Å; E41-K116 WeakPolarHBondContact OE2-CE 3.31Å; E41-K116 IonicContact OE2-NZ 3.98Å; E41-K116 PolarHBondContact OE2-NZ 2.98Å; R42-K116 PolarHBondContact O-NZ 2.89Å; D44-K116 WeakPolarHBondContact OD2-CG 3.37Å; K116-D118 PolarHBondContact O-N 2.91Å; K116-L119 PolarHBondContact N-O 2.97Å; K116-L119 WeakPolarHBondContact O-CB 3.29Å; K116-L119 PolarHBondContact O-N 3.29Å
117G94.4Very high95.4Very high57 Ų5734.8 Ų34.859%0.58819%0.191SC*.THydrogen-bonded Turntrans52.7-122.4-168.700000111.4D44D44-G117 PolarHBondContact OD2-N 3.16Å
118D93Very high95.1Very high178 Ų17835 Ų3595%0.95219%0.191SC*.THydrogen-bonded Turntrans-87-5.2177.5-61.3-37.4000113.8K116K116-D118 PolarHBondContact O-N 2.91Å
119L92.6Very high94.3Very high76 Ų7635 Ų3540%0.39819%0.191SC..EExtended strand (participates in β ladder)trans-83.7118.8178.7179.464.9000109.9F39 I115 K116F39-L119 HydrophobicContact CE1-CD2 4.28Å; F39-L119 HydrophobicContact CE2-CD2 3.95Å; F39-L119 HydrophobicContact CE2-CG 3.93Å; F39-L119 HydrophobicContact CZ-CD2 3.8Å; F39-L119 HydrophobicContact CZ-CG 3.97Å; I115-L119 CarbonylContact C-O 3.53Å; I115-L119 WeakPolarHBondContact CA-O 3.4Å; K116-L119 PolarHBondContact N-O 2.97Å; K116-L119 WeakPolarHBondContact O-CB 3.29Å; K116-L119 PolarHBondContact O-N 3.29Å
120E94.9Very high93.2Very high125 Ų12534.5 Ų34.558%0.58419%0.187SC*.EExtended strand (participates in β ladder)trans-121.9136.6172.3-178.6177.917500110M114 I115M114-E120 WeakPolarHBondContact O-CA 3.39Å; I115-E120 HydrophobicContact CG1-CB 4.41Å; I115-E120 HydrophobicContact CG1-CG 4.09Å
121M94.2Very high92.3Very high14 Ų1434.5 Ų34.57%0.06919%0.187CC..EExtended strand (participates in β ladder)trans-143.5137.7175.6-169.9-178.4-68.700111.1I38 F39 M114 V123 M138 N139 I155I38-M121 HydrophobicContact CG2-SD 3.73Å; F39-M121 HydrophobicContact CD2-CB 3.67Å; F39-M121 HydrophobicContact CD2-CE 4.41Å; F39-M121 HydrophobicContact CD2-SD 4.21Å; F39-M121 HydrophobicContact CE2-CB 3.82Å; M114-M121 PolarHBondContact N-O 3.35Å; M114-M121 PolarHBondContact O-N 3.01Å; M121-V123 HydrophobicContact CG-CG2 4.07Å; M121-V123 HydrophobicContact SD-CG2 3.98Å; M121-M138 HydrophobicContact SD-SD 4.35Å; M121-N139 WeakPolarHBondContact CA-OD1 3.37Å; M121-I155 HydrophobicContact CE-CD1 4.33Å
122S96.2Very high91.5Very high24 Ų2434.7 Ų34.717%0.16819%0.188CC..EExtended strand (participates in β ladder)trans-108133.6170.6-175.60000110.6T111 L112 M138 N139T111-S122 WeakPolarHBondContact CG2-OG 3.24Å; L112-S122 CarbonylContact O-C 3.59Å; L112-S122 VanDerWaalsContact O-CA 3.27Å; L112-S122 WeakPolarHBondContact O-CA 3.31Å; S122-M138 CarbonylContact O-C 3.59Å; S122-M138 WeakPolarHBondContact O-CA 3.39Å; S122-N139 PolarHBondContact N-OD1 2.91Å; S122-N139 PolarHBondContact O-N 3.48Å
123V95.4Very high91Very high0 Ų035 Ų350%019%0.19CC..EExtended strand (participates in β ladder)trans-137128.5176.3-1730000110C35 I38 T111 L112 M114 M121 I135 E137 M138C35-V123 HydrophobicContact CB-CB 4.47Å; C35-V123 WeakPolarHBondContact SG-CG1 3.32Å; I38-V123 HydrophobicContact CD1-CG1 4.15Å; I38-V123 HydrophobicContact CG2-CG2 4.22Å; T111-V123 WeakPolarHBondContact CA-O 3.25Å; L112-V123 PolarHBondContact N-O 3.12Å; L112-V123 PolarHBondContact O-N 3.04Å; M114-V123 HydrophobicContact CE-CB 4.44Å; M114-V123 HydrophobicContact CE-CG2 3.82Å; M121-V123 HydrophobicContact CG-CG2 4.07Å; M121-V123 HydrophobicContact SD-CG2 3.98Å; V123-I135 HydrophobicContact CG1-CG2 3.5Å; V123-I135 VanDerWaalsContact CG1-CG2 3.5Å; V123-E137 CarbonylContact C-O 3.49Å; V123-E137 WeakPolarHBondContact CA-O 3.46Å; V123-M138 HydrophobicContact CG2-CG 4.28Å
124T95.6Very high90.6Very high10 Ų1034.7 Ų34.76%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-104.4127.3177.1-56.50000110.7T109 V110 T111 I135 T136 E137T109-T124 HydrophobicContact CG2-CG2 3.69Å; V110-T124 CarbonylContact O-C 3.54Å; V110-T124 WeakPolarHBondContact O-CA 3.49Å; T111-T124 WeakPolarHBondContact CG2-OG1 3.49Å; T111-T124 PolarHBondContact OG1-OG1 3.27Å; T124-I135 WeakPolarHBondContact O-CA 3.48Å; T124-I135 WeakPolarHBondContact O-CG2 3.17Å; T124-T136 PolarHBondContact O-N 3.12Å; T124-T136 PolarHBondContact O-OG1 3.05Å; T124-E137 PolarHBondContact N-O 2.92Å; T124-E137 PolarHBondContact O-N 3.45Å
125G95.2Very high90.3Very high0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-121.6149.7177.400000112V110 Q134V110-G125 PolarHBondContact N-O 3.4Å; V110-G125 PolarHBondContact O-N 3.03Å; G125-Q134 CarbonylContact C-O 3.31Å; G125-Q134 WeakPolarHBondContact CA-O 3.35Å
126V93.9Very high89.9Confident11 Ų1134 Ų347%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-124.7132.3177179.10000109H106 N108 T109 I133 Q134 T136H106-V126 HydrophobicContact CB-CG1 3.46Å; H106-V126 VanDerWaalsContact CB-CG1 3.46Å; H106-V126 HydrophobicContact CB-CG2 4.44Å; H106-V126 VanDerWaalsContact ND1-CG1 3.31Å; H106-V126 WeakPolarHBondContact ND1-CG1 3.14Å; N108-V126 WeakPolarHBondContact O-CA 3.4Å; T109-V126 HydrophobicContact CG2-CG2 4.24Å; V126-I133 CarbonylContact O-C 3.41Å; V126-I133 VanDerWaalsContact O-CA 3.23Å; V126-I133 WeakPolarHBondContact O-CA 3.29Å; V126-Q134 PolarHBondContact N-O 2.68Å; V126-Q134 PolarHBondContact O-N 2.78Å; V126-T136 HydrophobicContact CB-CG2 4.45Å; V126-T136 HydrophobicContact CG2-CG2 3.76Å
127S92.7Very high89.5Confident0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-95.4110.5169.6-179.80000109.9S23 H106 N108 N132S23-S127 WeakPolarHBondContact CA-OG 3.44Å; S23-S127 VanDerWaalsContact O-CB 3.27Å; S23-S127 WeakPolarHBondContact O-CB 3.35Å; S23-S127 PolarHBondContact O-OG 2.81Å; H106-S127 PolarHBondContact CE1-O 3.1Å; H106-S127 PolarHBondContact ND1-O 3.08Å; N108-S127 VanDerWaalsContact CB-O 3.27Å; N108-S127 WeakPolarHBondContact CB-O 3.49Å; N108-S127 PolarHBondContact ND2-O 2.91Å; N108-S127 PolarHBondContact O-N 3.45Å; S127-N132 CarbonylContact C-O 3.47Å
128I84.7Confident89.3Confident25 Ų2531.6 Ų31.613%0.12816%0.164CC..EExtended strand (participates in β ladder)trans-74.3-42-170.8-58.2170.4000111.1K5 N132 Q134K5-I128 HydrophobicContact CD-CG2 4.44Å; I128-N132 PolarHBondContact N-O 3.02Å; I128-Q134 HydrophobicContact CD1-CB 4.05Å; I128-Q134 HydrophobicContact CG1-CB 4.49Å
129G76.8Confident89Confident0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans143.5156.9-17300000110.6Y6 G131 N132Y6-G129 WeakPolarHBondContact OH-CA 3.43Å; Y6-G129 PolarHBondContact OH-O 3.43Å; G129-G131 PolarHBondContact O-N 3.32Å; G129-G131 VanDerWaalsContact O-N 3.07Å; G129-N132 PolarHBondContact O-N 3.15Å
130G73.2Confident88.5Confident0 Ų024.3 Ų24.30%014%0.135CC..THydrogen-bonded Turntrans61.813.2-174.500000114.5P15 N132P15-G130 WeakPolarHBondContact CD-O 3.43Å; G130-N132 VanDerWaalsContact C-N 3.33Å
131G78.2Confident87.8Confident0 Ų019.4 Ų19.40%011%0.112CC..THydrogen-bonded Turntrans84.1-1.3-172.400000115.1S22 R30 G129S22-G131 VanDerWaalsContact O-CA 3.24Å; S22-G131 WeakPolarHBondContact O-CA 3.32Å; R30-G131 WeakPolarHBondContact CD-O 3.2Å; R30-G131 PolarHBondContact NH1-O 3.45Å; G129-G131 PolarHBondContact O-N 3.32Å; G129-G131 VanDerWaalsContact O-N 3.07Å
132N82.6Confident87.1Confident18 Ų1823 Ų2310%0.09614%0.138CC..EExtended strand (participates in β ladder)trans-75.6146.7175.3-74.4-18000112.1Y6 D11 S127 I128 G129 G130Y6-N132 WeakPolarHBondContact CD1-ND2 3.35Å; Y6-N132 HydrophobicContact CE1-CB 4.4Å; D11-N132 PolarHBondContact OD1-ND2 3.23Å; D11-N132 PolarHBondContact OD1-OD1 3.45Å; S127-N132 CarbonylContact C-O 3.47Å; I128-N132 PolarHBondContact N-O 3.02Å; G129-N132 PolarHBondContact O-N 3.15Å; G130-N132 VanDerWaalsContact C-N 3.33Å
133I87.9Confident86.4Confident8 Ų822.5 Ų22.54%0.04113%0.134CC..EExtended strand (participates in β ladder)trans-132.7161.6-171.866.8157.2000111.7G27 R30 I31 V34 V126 M147G27-I133 WeakPolarHBondContact O-CG2 2.88Å; R30-I133 HydrophobicContact CB-CD1 3.8Å; R30-I133 HydrophobicContact CB-CG1 4.21Å; R30-I133 HydrophobicContact CB-CG2 4Å; I31-I133 HydrophobicContact CD1-CG2 4.24Å; I31-I133 HydrophobicContact CG1-CB 3.98Å; I31-I133 HydrophobicContact CG1-CD1 4.07Å; I31-I133 HydrophobicContact CG1-CG2 3.76Å; V34-I133 HydrophobicContact CB-CD1 4.38Å; V34-I133 HydrophobicContact CG2-CD1 3.93Å; V126-I133 CarbonylContact O-C 3.41Å; V126-I133 VanDerWaalsContact O-CA 3.23Å; V126-I133 WeakPolarHBondContact O-CA 3.29Å; I133-M147 HydrophobicContact CD1-SD 4.26Å; I133-M147 HydrophobicContact CG1-CG 3.9Å; I133-M147 HydrophobicContact CG1-SD 4.12Å
134Q88.7Confident85.4Confident62 Ų6225.2 Ų25.229%0.2915%0.153SC..EExtended strand (participates in β ladder)trans-142135.4170.4-176.6177.424.600109.9G125 V126 I128 T136 S144 L145G125-Q134 CarbonylContact C-O 3.31Å; G125-Q134 WeakPolarHBondContact CA-O 3.35Å; V126-Q134 PolarHBondContact N-O 2.68Å; V126-Q134 PolarHBondContact O-N 2.78Å; I128-Q134 HydrophobicContact CD1-CB 4.05Å; I128-Q134 HydrophobicContact CG1-CB 4.49Å; Q134-T136 HydrophobicContact CG-CG2 4.06Å; Q134-S144 PolarHBondContact NE2-OG 2.77Å; Q134-L145 CarbonylContact C-O 3.56Å; Q134-L145 VanDerWaalsContact CA-O 3.29Å; Q134-L145 WeakPolarHBondContact CA-O 3.46Å
135I90.8Very high84.4Confident3 Ų325.4 Ų25.42%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-90.8123.2167.8-49.1-57.9000108.2V34 I38 V123 T124 I143 S144 L145V34-I135 HydrophobicContact CB-CD1 4.4Å; V34-I135 HydrophobicContact CG1-CD1 3.92Å; V34-I135 HydrophobicContact CG1-CG1 3.72Å; I38-I135 HydrophobicContact CD1-CG1 4.36Å; I38-I135 HydrophobicContact CD1-CG2 4.35Å; V123-I135 HydrophobicContact CG1-CG2 3.5Å; V123-I135 VanDerWaalsContact CG1-CG2 3.5Å; T124-I135 WeakPolarHBondContact O-CA 3.48Å; T124-I135 WeakPolarHBondContact O-CG2 3.17Å; I135-I143 HydrophobicContact CB-CD1 4.48Å; I135-I143 HydrophobicContact CG2-CD1 3.72Å; I135-I143 HydrophobicContact CG2-CG1 4.28Å; I135-S144 WeakPolarHBondContact O-CA 3.29Å; I135-L145 HydrophobicContact CB-CB 4.06Å; I135-L145 HydrophobicContact CB-CD1 4.41Å; I135-L145 HydrophobicContact CG1-CB 4.43Å; I135-L145 PolarHBondContact N-O 3.38Å; I135-L145 PolarHBondContact O-N 2.77Å
136T90.1Very high83.1Confident42 Ų4227.9 Ų27.926%0.25818%0.178SC..EExtended strand (participates in β ladder)trans-110.8-20.7-170.8560000113.4T124 V126 Q134 S142 I143T124-T136 PolarHBondContact O-N 3.12Å; T124-T136 PolarHBondContact O-OG1 3.05Å; V126-T136 HydrophobicContact CB-CG2 4.45Å; V126-T136 HydrophobicContact CG2-CG2 3.76Å; Q134-T136 HydrophobicContact CG-CG2 4.06Å; T136-S142 WeakPolarHBondContact O-CA 3.31Å; T136-I143 CarbonylContact C-O 3.57Å; T136-I143 VanDerWaalsContact C-O 3.31Å; T136-I143 WeakPolarHBondContact CA-O 3.24Å; T136-I143 PolarHBondContact O-N 3.35Å
137E89.5Confident81.7Confident67 Ų6732.7 Ų32.731%0.31320%0.202SC..EExtended strand (participates in β ladder)trans-147.6145.1179.1-158.5-176.2101.600112V123 T124 G140 Y141V123-E137 CarbonylContact C-O 3.49Å; V123-E137 WeakPolarHBondContact CA-O 3.46Å; T124-E137 PolarHBondContact N-O 2.92Å; T124-E137 PolarHBondContact O-N 3.45Å; E137-G140 VanDerWaalsContact OE1-CA 3.3Å; E137-G140 WeakPolarHBondContact OE1-CA 3.5Å; E137-G140 PolarHBondContact OE1-N 3.42Å; E137-Y141 VanDerWaalsContact CA-O 3.3Å; E137-Y141 WeakPolarHBondContact CA-O 3.32Å; E137-Y141 WeakPolarHBondContact CG-O 3.05Å
138M88.9Confident80.2Confident1 Ų135.5 Ų35.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-138.4125.4166.9-177.7178.97100109.3I38 M121 S122 V123 G140 Y141 I143 I153 I155 I192I38-M138 HydrophobicContact CG2-SD 3.54Å; I38-M138 VanDerWaalsContact CG2-SD 3.54Å; M121-M138 HydrophobicContact SD-SD 4.35Å; S122-M138 CarbonylContact O-C 3.59Å; S122-M138 WeakPolarHBondContact O-CA 3.39Å; V123-M138 HydrophobicContact CG2-CG 4.28Å; M138-G140 PolarHBondContact O-N 2.88Å; M138-G140 VanDerWaalsContact O-N 3.15Å; M138-Y141 PolarHBondContact N-O 2.87Å; M138-Y141 WeakPolarHBondContact O-CB 3.33Å; M138-Y141 VanDerWaalsContact O-CD2 3.28Å; M138-Y141 WeakPolarHBondContact O-CD2 3.29Å; M138-Y141 PolarHBondContact O-N 3.16Å; M138-I143 HydrophobicContact CB-CD1 3.72Å; M138-I153 HydrophobicContact CE-CG2 3.44Å; M138-I153 VanDerWaalsContact CE-CG2 3.44Å; M138-I153 HydrophobicContact SD-CG2 4.05Å; M138-I155 HydrophobicContact CE-CD1 3.99Å; M138-I155 HydrophobicContact CE-CG1 3.87Å; M138-I155 HydrophobicContact SD-CD1 4.47Å; M138-I192 HydrophobicContact CB-CD1 4.44Å; M138-I192 HydrophobicContact CE-CB 4.41Å; M138-I192 HydrophobicContact CE-CD1 3.29Å; M138-I192 HydrophobicContact CE-CG1 3.57Å; M138-I192 HydrophobicContact CE-CG2 3.92Å
139N87.8Confident79.3Confident57 Ų5737.4 Ų37.431%0.30524%0.24SC..THydrogen-bonded Turntrans49.336.5-179.1-71.9-19.6000114.5M121 S122 Y141M121-N139 WeakPolarHBondContact CA-OD1 3.37Å; S122-N139 PolarHBondContact N-OD1 2.91Å; S122-N139 PolarHBondContact O-N 3.48Å; N139-Y141 VanDerWaalsContact C-N 3.32Å; N139-Y141 HydrophobicContact CB-CD2 4.24Å; N139-Y141 HydrophobicContact CB-CE2 4.42Å; N139-Y141 WeakPolarHBondContact O-CD2 3.41Å
140G82.5Confident79.1Confident43 Ų4339.8 Ų39.844%0.44326%0.256SS..THydrogen-bonded Turntrans79.18-17700000114.9E137 M138E137-G140 VanDerWaalsContact OE1-CA 3.3Å; E137-G140 WeakPolarHBondContact OE1-CA 3.5Å; E137-G140 PolarHBondContact OE1-N 3.42Å; M138-G140 PolarHBondContact O-N 2.88Å; M138-G140 VanDerWaalsContact O-N 3.15Å
141Y80.1Confident79.4Confident23 Ų2342 Ų429%0.0927%0.27CS..EExtended strand (participates in β ladder)trans-99.3122.9172.6-61.6-94.2000109.6E137 M138 N139 I143 T183 K185 N190 I192E137-Y141 VanDerWaalsContact CA-O 3.3Å; E137-Y141 WeakPolarHBondContact CA-O 3.32Å; E137-Y141 WeakPolarHBondContact CG-O 3.05Å; M138-Y141 PolarHBondContact N-O 2.87Å; M138-Y141 WeakPolarHBondContact O-CB 3.33Å; M138-Y141 VanDerWaalsContact O-CD2 3.28Å; M138-Y141 WeakPolarHBondContact O-CD2 3.29Å; M138-Y141 PolarHBondContact O-N 3.16Å; N139-Y141 VanDerWaalsContact C-N 3.32Å; N139-Y141 HydrophobicContact CB-CD2 4.24Å; N139-Y141 HydrophobicContact CB-CE2 4.42Å; N139-Y141 WeakPolarHBondContact O-CD2 3.41Å; Y141-I143 PolarHBondContact O-N 3.3Å; Y141-T183 HydrophobicContact CD1-CG2 4.19Å; Y141-K185 HydrophobicContact CD1-CG 4.25Å; Y141-K185 HydrophobicContact CE1-CB 4.16Å; Y141-K185 HydrophobicContact CE1-CD 4.16Å; Y141-K185 HydrophobicContact CE1-CG 3.56Å; Y141-N190 PolarHBondContact OH-O 3.31Å; Y141-I192 VanDerWaalsContact CB-CD1 3.43Å; Y141-I192 HydrophobicContact CD1-CD1 4.25Å; Y141-I192 HydrophobicContact CD2-CD1 3.44Å; Y141-I192 VanDerWaalsContact CD2-CD1 3.44Å; Y141-I192 HydrophobicContact CD2-CG1 4.3Å; Y141-I192 HydrophobicContact CE2-CD1 4.23Å; Y141-I192 HydrophobicContact CG-CD1 3.47Å; Y141-I192 VanDerWaalsContact CG-CD1 3.47Å; Y141-I192 HydrophobicContact CG-CG1 4.37Å
142S79.6Confident79.5Confident89 Ų8947.8 Ų47.862%0.62229%0.292SS*.EExtended strand (participates in β ladder)trans-62.3126.7170.6-50.80000110.2T136T136-S142 WeakPolarHBondContact O-CA 3.31Å
143I80.1Confident79.4Confident14 Ų1449.3 Ų49.37%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-132.7167.5176.158.3171.8000108.8I135 T136 M138 Y141 L145 I192 L194I135-I143 HydrophobicContact CB-CD1 4.48Å; I135-I143 HydrophobicContact CG2-CD1 3.72Å; I135-I143 HydrophobicContact CG2-CG1 4.28Å; T136-I143 CarbonylContact C-O 3.57Å; T136-I143 VanDerWaalsContact C-O 3.31Å; T136-I143 WeakPolarHBondContact CA-O 3.24Å; T136-I143 PolarHBondContact O-N 3.35Å; M138-I143 HydrophobicContact CB-CD1 3.72Å; Y141-I143 PolarHBondContact O-N 3.3Å; I143-L145 HydrophobicContact CD1-CD1 3.83Å; I143-L145 HydrophobicContact CD1-CG 4.22Å; I143-I192 HydrophobicContact CG2-CD1 4.47Å; I143-L194 HydrophobicContact CB-CD1 3.87Å; I143-L194 HydrophobicContact CG2-CD1 3.85Å
144S74.5Confident78.9Confident57 Ų5751.1 Ų51.140%0.39931%0.309SS..EExtended strand (participates in β ladder)trans-141.197.4172.7179.90000107.5Q134 I135Q134-S144 PolarHBondContact NE2-OG 2.77Å; I135-S144 WeakPolarHBondContact O-CA 3.29Å
145L74.6Confident78.4Confident14 Ų1452.4 Ų52.47%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-114.7118.5175.7-58.8174.2000108.7Q134 I135 I143 T151 I153 L194Q134-L145 CarbonylContact C-O 3.56Å; Q134-L145 VanDerWaalsContact CA-O 3.29Å; Q134-L145 WeakPolarHBondContact CA-O 3.46Å; I135-L145 HydrophobicContact CB-CB 4.06Å; I135-L145 HydrophobicContact CB-CD1 4.41Å; I135-L145 HydrophobicContact CG1-CB 4.43Å; I135-L145 PolarHBondContact N-O 3.38Å; I135-L145 PolarHBondContact O-N 2.77Å; I143-L145 HydrophobicContact CD1-CD1 3.83Å; I143-L145 HydrophobicContact CD1-CG 4.22Å; L145-T151 HydrophobicContact CD2-CG2 3.54Å; L145-I153 HydrophobicContact CD1-CD1 3.58Å; L145-I153 HydrophobicContact CD1-CG1 4.3Å; L145-L194 HydrophobicContact CD1-CD2 4.39Å; L145-L194 HydrophobicContact CD2-CB 4.45Å; L145-L194 HydrophobicContact CD2-CD1 3.8Å; L145-L194 HydrophobicContact CD2-CD2 4.17Å; L145-L194 HydrophobicContact CD2-CG 4.36Å; L145-L194 HydrophobicContact CG-CD1 4.29Å
146G67.7Low77.7Confident51 Ų5153.3 Ų53.353%0.52632%0.322SS..EExtended strand (participates in β ladder)trans-99.7177.4171.200000111.9
147M64.1Low77.1Confident113 Ų11357.6 Ų57.656%0.55734%0.337SS*.SBendtrans-81127.9164.4-60.6-68.9-71.600108V34 I133V34-M147 HydrophobicContact CG2-SD 4.38Å; I133-M147 HydrophobicContact CD1-SD 4.26Å; I133-M147 HydrophobicContact CG1-CG 3.9Å; I133-M147 HydrophobicContact CG1-SD 4.12Å
148G61.4Low76.7Confident58 Ų5856.3 Ų56.360%0.59833%0.333SS*.SBendtrans165.3-51.8174.500000114.4
149N67.4Low76.4Confident65 Ų6559 Ų5935%0.34835%0.349SS..SBendtrans-123.8139.1-174-69.2-7.9000111.3T151 E196 I197N149-T151 PolarHBondContact O-N 2.89Å; N149-T151 VanDerWaalsContact O-N 3.11Å; N149-T151 PolarHBondContact O-OG1 3.44Å; N149-E196 HydrophobicContact CB-CB 4.21Å; N149-I197 WeakPolarHBondContact CB-O 3.41Å
150P71.3Confident76.4Confident50 Ų5062.4 Ų62.433%0.32537%0.374SS..  trans-50120.5169.2-25.231000111I197 D199P150-I197 HydrophobicContact CB-CB 4.44Å; P150-I197 WeakPolarHBondContact CD-O 3.27Å; P150-I197 PolarHBondContact O-N 3.36Å; P150-D199 HydrophobicContact CG-CB 4.48Å; P150-D199 WeakPolarHBondContact CG-OD1 3.39Å
151T79.8Confident76.6Confident48 Ų4862.4 Ų62.429%0.29437%0.374SS..EExtended strand (participates in β ladder)trans-118.5124.4-175.7-55.90000111.8L145 N149 L194 L195 E196L145-T151 HydrophobicContact CD2-CG2 3.54Å; N149-T151 PolarHBondContact O-N 2.89Å; N149-T151 VanDerWaalsContact O-N 3.11Å; N149-T151 PolarHBondContact O-OG1 3.44Å; T151-L194 HydrophobicContact CG2-CB 4.42Å; T151-L195 CarbonylContact C-O 3.54Å; T151-L195 VanDerWaalsContact CA-O 3.31Å; T151-L195 WeakPolarHBondContact CA-O 3.41Å; T151-E196 HydrophobicContact CG2-CG 4.3Å
152Y79.7Confident76.8Confident120 Ų12062.6 Ų62.647%0.47138%0.377SS..EExtended strand (participates in β ladder)trans-94126.3171.2-70.3-100.8000110.2F170 L194 L195 I197Y152-F170 HydrophobicContact CD1-CE1 4.45Å; Y152-F170 AromaticContact CD1-CZ 3.92Å; Y152-F170 HydrophobicContact CD1-CZ 3.92Å; Y152-F170 AromaticContact CD2-CE1 3.51Å; Y152-F170 HydrophobicContact CD2-CE1 3.51Å; Y152-F170 AromaticContact CD2-CZ 3.67Å; Y152-F170 HydrophobicContact CD2-CZ 3.67Å; Y152-F170 HydrophobicContact CE1-CZ 4.34Å; Y152-F170 AromaticContact CE2-CE1 3.68Å; Y152-F170 HydrophobicContact CE2-CE1 3.68Å; Y152-F170 HydrophobicContact CE2-CZ 4.11Å; Y152-F170 AromaticContact CG-CE1 3.92Å; Y152-F170 HydrophobicContact CG-CE1 3.92Å; Y152-F170 AromaticContact CG-CZ 3.55Å; Y152-F170 HydrophobicContact CG-CZ 3.55Å; Y152-L194 WeakPolarHBondContact O-CA 3.47Å; Y152-L195 PolarHBondContact N-O 2.59Å; Y152-L195 PolarHBondContact O-N 2.96Å; Y152-I197 HydrophobicContact CD2-CD1 4.4Å; Y152-I197 HydrophobicContact CD2-CG1 3.64Å; Y152-I197 HydrophobicContact CE2-CG1 3.77Å
153I80.5Confident77.1Confident50 Ų5061.5 Ų61.526%0.25636%0.364SS..EExtended strand (participates in β ladder)trans-105.6117.7175.8-51.9-175.5000108.5I38 M138 L145 I192 L194I38-I153 HydrophobicContact CD1-CD1 3.96Å; I38-I153 HydrophobicContact CG1-CD1 3.74Å; I38-I153 HydrophobicContact CG2-CD1 4.17Å; M138-I153 HydrophobicContact CE-CG2 3.44Å; M138-I153 VanDerWaalsContact CE-CG2 3.44Å; M138-I153 HydrophobicContact SD-CG2 4.05Å; L145-I153 HydrophobicContact CD1-CD1 3.58Å; L145-I153 HydrophobicContact CD1-CG1 4.3Å; I153-I192 HydrophobicContact CG2-CG2 3.94Å; I153-L194 HydrophobicContact CB-CD2 4.17Å; I153-L194 HydrophobicContact CD1-CD2 4.32Å; I153-L194 HydrophobicContact CG1-CD2 3.77Å; I153-L194 HydrophobicContact CG2-CD2 3.88Å
154I78.8Confident77.4Confident46 Ų4664.3 Ų64.324%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-113114.7178.4-54.3175.5000108.2N156 V166 I192 V193 L195I154-N156 HydrophobicContact CG2-CB 4.31Å; I154-N156 PolarHBondContact O-OD1 3.32Å; I154-V166 HydrophobicContact CD1-CB 4.31Å; I154-V166 HydrophobicContact CD1-CG1 3.51Å; I154-V166 HydrophobicContact CD1-CG2 3.74Å; I154-I192 WeakPolarHBondContact O-CA 3.22Å; I154-V193 HydrophobicContact CB-CB 4.26Å; I154-V193 PolarHBondContact N-O 2.61Å; I154-V193 PolarHBondContact O-N 2.97Å; I154-L195 HydrophobicContact CD1-CD1 3.85Å
155I76.5Confident78.1Confident90 Ų9070 Ų7046%0.46240%0.397SS..EExtended strand (participates in β ladder)trans-90.4122.7169.6-56.4175.2000107.7M121 M138M121-I155 HydrophobicContact CE-CD1 4.33Å; M138-I155 HydrophobicContact CE-CD1 3.99Å; M138-I155 HydrophobicContact CE-CG1 3.87Å; M138-I155 HydrophobicContact SD-CD1 4.47Å
156N76Confident78.6Confident21 Ų2170 Ų7011%0.11240%0.397CS..EExtended strand (participates in β ladder)trans-148.8166.7-173.360.2-96.6000112I154 L162 N190 G191I154-N156 HydrophobicContact CG2-CB 4.31Å; I154-N156 PolarHBondContact O-OD1 3.32Å; N156-L162 HydrophobicContact CB-CD1 4.22Å; N156-L162 HydrophobicContact CB-CD2 4.12Å; N156-L162 WeakPolarHBondContact ND2-CD2 3.37Å; N156-N190 CarbonylContact O-C 3.57Å; N156-N190 VanDerWaalsContact O-CA 3.29Å; N156-N190 WeakPolarHBondContact O-CA 3.35Å; N156-G191 PolarHBondContact N-O 3.28Å; N156-G191 PolarHBondContact O-N 3.44Å; N156-G191 VanDerWaalsContact O-O 3.12Å
157K78.8Confident79.6Confident133 Ų13369.6 Ų69.658%0.57839%0.387SS*.EExtended strand (participates in β ladder)trans-78.8137.8160.5-168.3174.7-177174.70109.7V159 G188K157-V159 HydrophobicContact CB-CG1 4.39Å; K157-V159 HydrophobicContact CD-CG1 4.4Å; K157-V159 HydrophobicContact CG-CG1 4.2Å; K157-V159 PolarHBondContact O-N 3.42Å; K157-V159 VanDerWaalsContact O-N 3.11Å; K157-G188 WeakPolarHBondContact CE-O 3.04Å
158D80.3Confident80.8Confident40 Ų4066.4 Ų66.421%0.21437%0.374CS..  trans-70.6102.2175.5-178.727.7000109.9R184 G188 E189D158-R184 VanDerWaalsContact OD2-CD 3.26Å; D158-R184 WeakPolarHBondContact OD2-CD 3.38Å; D158-R184 IonicContact OD2-NE 2.89Å; D158-G188 PolarHBondContact OD2-N 2.84Å; D158-E189 VanDerWaalsContact CB-O 3.31Å; D158-E189 WeakPolarHBondContact CB-O 3.32Å; D158-E189 PolarHBondContact N-O 3.45Å
159V84.1Confident82Confident58 Ų5868.1 Ų68.135%0.35237%0.368SS..  trans-130146.4-179.8-63.30000111K157 G161 L162K157-V159 HydrophobicContact CB-CG1 4.39Å; K157-V159 HydrophobicContact CD-CG1 4.4Å; K157-V159 HydrophobicContact CG-CG1 4.2Å; K157-V159 PolarHBondContact O-N 3.42Å; K157-V159 VanDerWaalsContact O-N 3.11Å; V159-G161 PolarHBondContact O-N 3.02Å; V159-L162 HydrophobicContact CG2-CB 4.28Å; V159-L162 WeakPolarHBondContact O-CB 3.24Å; V159-L162 PolarHBondContact O-N 3.21Å
160P86Confident83Confident127 Ų12765.7 Ų65.783%0.82536%0.355SS*.THydrogen-bonded Turntrans-53.7134.6176.1-26.634.9000112.6L162P160-L162 VanDerWaalsContact C-N 3.35Å
161G87.3Confident83.7Confident44 Ų4469.7 Ų69.745%0.45437%0.37SS..THydrogen-bonded Turntrans83.8-0.7176.600000115.6V159 S164 R165V159-G161 PolarHBondContact O-N 3.02Å; G161-S164 PolarHBondContact O-N 3.44Å; G161-R165 WeakPolarHBondContact O-CG 3.3Å; G161-R165 PolarHBondContact O-N 3.08Å
162L84.6Confident84Confident26 Ų2675.1 Ų75.114%0.13639%0.39CS..Hα-helixtrans-53.9-55.9177.4174.576000112.7N156 V159 P160 S164 R165 V166 V193N156-L162 HydrophobicContact CB-CD1 4.22Å; N156-L162 HydrophobicContact CB-CD2 4.12Å; N156-L162 WeakPolarHBondContact ND2-CD2 3.37Å; V159-L162 HydrophobicContact CG2-CB 4.28Å; V159-L162 WeakPolarHBondContact O-CB 3.24Å; V159-L162 PolarHBondContact O-N 3.21Å; P160-L162 VanDerWaalsContact C-N 3.35Å; L162-S164 PolarHBondContact O-N 2.97Å; L162-R165 WeakPolarHBondContact O-CB 3.37Å; L162-R165 PolarHBondContact O-N 3.42Å; L162-V166 HydrophobicContact CD1-CG2 4.28Å; L162-V166 HydrophobicContact CG-CG2 4.42Å; L162-V166 WeakPolarHBondContact O-CG2 3.31Å; L162-V166 PolarHBondContact O-N 3.35Å; L162-V193 HydrophobicContact CD2-CG2 4.05Å
163L85.8Confident84.2Confident67 Ų6775.9 Ų75.935%0.35140%0.398SS..Hα-helixtrans-58.8-36.3-177.9179.962.2000111.7V166 S167 V180 M182L163-V166 PolarHBondContact O-N 3.09Å; L163-S167 WeakPolarHBondContact O-CB 3.24Å; L163-S167 PolarHBondContact O-N 2.94Å; L163-S167 PolarHBondContact O-OG 2.81Å; L163-V180 HydrophobicContact CD1-CG1 3.86Å; L163-M182 HydrophobicContact CB-SD 4.22Å; L163-M182 HydrophobicContact CD1-SD 4.34Å; L163-M182 HydrophobicContact CD2-SD 4.04Å; L163-M182 HydrophobicContact CG-SD 4.43Å
164S87.3Confident84.3Confident73 Ų7376.7 Ų76.751%0.5142%0.418SS..Hα-helixtrans-64.8-43.6175.1174.40000111.8G161 L162 V166 S167 T168G161-S164 PolarHBondContact O-N 3.44Å; L162-S164 PolarHBondContact O-N 2.97Å; S164-V166 VanDerWaalsContact C-N 3.33Å; S164-V166 PolarHBondContact O-N 2.93Å; S164-S167 WeakPolarHBondContact CA-OG 3.43Å; S164-S167 PolarHBondContact O-OG 3.19Å; S164-T168 VanDerWaalsContact O-CB 3.24Å; S164-T168 WeakPolarHBondContact O-CB 3.49Å; S164-T168 PolarHBondContact O-N 3.49Å; S164-T168 PolarHBondContact O-OG1 3.07Å
165R87.5Confident84.4Confident177 Ų17777.7 Ų77.767%0.66842%0.424SS*.Hα-helixtrans-61.6-44.4175.8-67.9177.5-168.8-166.33.3111.5G161 L162 I169G161-R165 WeakPolarHBondContact O-CG 3.3Å; G161-R165 PolarHBondContact O-N 3.08Å; L162-R165 WeakPolarHBondContact O-CB 3.37Å; L162-R165 PolarHBondContact O-N 3.42Å; R165-I169 WeakPolarHBondContact O-CG1 3.35Å; R165-I169 PolarHBondContact O-N 3.04Å
166V86.5Confident84.7Confident12 Ų1276.6 Ų76.67%0.07342%0.419CS..Hα-helixtrans-63.8-59.4179170.30000110.4I154 L162 L163 S164 T168 I169 F170 L195I154-V166 HydrophobicContact CD1-CB 4.31Å; I154-V166 HydrophobicContact CD1-CG1 3.51Å; I154-V166 HydrophobicContact CD1-CG2 3.74Å; L162-V166 HydrophobicContact CD1-CG2 4.28Å; L162-V166 HydrophobicContact CG-CG2 4.42Å; L162-V166 WeakPolarHBondContact O-CG2 3.31Å; L162-V166 PolarHBondContact O-N 3.35Å; L163-V166 PolarHBondContact O-N 3.09Å; S164-V166 VanDerWaalsContact C-N 3.33Å; S164-V166 PolarHBondContact O-N 2.93Å; V166-T168 PolarHBondContact O-N 3.3Å; V166-T168 VanDerWaalsContact O-N 3.15Å; V166-I169 WeakPolarHBondContact O-CA 3.38Å; V166-I169 WeakPolarHBondContact O-CB 3.49Å; V166-I169 PolarHBondContact O-N 2.82Å; V166-F170 HydrophobicContact CG1-CD2 4.16Å; V166-F170 HydrophobicContact CG1-CE2 4.02Å; V166-F170 WeakPolarHBondContact O-CD2 3.37Å; V166-F170 PolarHBondContact O-N 3.47Å; V166-L195 HydrophobicContact CG1-CD1 3.3Å; V166-L195 HydrophobicContact CG1-CD2 4.3Å; V166-L195 HydrophobicContact CG1-CG 4.35Å
167S88.8Confident85.1Confident43 Ų4377.6 Ų77.630%0.30142%0.424SS..Hα-helixtrans-56.1-33.9178.352.80000113.3L163 S164 I169 F170 M171L163-S167 WeakPolarHBondContact O-CB 3.24Å; L163-S167 PolarHBondContact O-N 2.94Å; L163-S167 PolarHBondContact O-OG 2.81Å; S164-S167 WeakPolarHBondContact CA-OG 3.43Å; S164-S167 PolarHBondContact O-OG 3.19Å; S167-I169 VanDerWaalsContact C-N 3.32Å; S167-I169 PolarHBondContact O-N 2.99Å; S167-F170 PolarHBondContact O-N 3.18Å; S167-M171 VanDerWaalsContact O-CB 3.31Å; S167-M171 WeakPolarHBondContact O-CB 3.47Å; S167-M171 PolarHBondContact O-N 3.29Å
168T89.1Confident85.2Confident47 Ų4773.5 Ų73.529%0.28842%0.419SS..Hα-helixtrans-63.5-35.8173.5-60.10000112.4S164 V166 K172S164-T168 VanDerWaalsContact O-CB 3.24Å; S164-T168 WeakPolarHBondContact O-CB 3.49Å; S164-T168 PolarHBondContact O-N 3.49Å; S164-T168 PolarHBondContact O-OG1 3.07Å; V166-T168 PolarHBondContact O-N 3.3Å; V166-T168 VanDerWaalsContact O-N 3.15Å; T168-K172 HydrophobicContact CG2-CD 4.44Å; T168-K172 WeakPolarHBondContact O-CB 3.48Å; T168-K172 VanDerWaalsContact O-CG 3.28Å; T168-K172 WeakPolarHBondContact O-CG 3.35Å; T168-K172 PolarHBondContact O-N 3.26Å; T168-K172 VanDerWaalsContact O-N 3.09Å
169I86.9Confident85.2Confident93 Ų9376 Ų7648%0.47743%0.428SS..Hα-helixtrans-65.5-47.2175.2-67.1163.3000109.8R165 V166 S167 K172 H173R165-I169 WeakPolarHBondContact O-CG1 3.35Å; R165-I169 PolarHBondContact O-N 3.04Å; V166-I169 WeakPolarHBondContact O-CA 3.38Å; V166-I169 WeakPolarHBondContact O-CB 3.49Å; V166-I169 PolarHBondContact O-N 2.82Å; S167-I169 VanDerWaalsContact C-N 3.32Å; S167-I169 PolarHBondContact O-N 2.99Å; I169-K172 PolarHBondContact O-N 2.85Å; I169-H173 PolarHBondContact O-N 2.78Å; I169-H173 PolarHBondContact O-ND1 3.31Å
170F86.7Confident85.2Confident15 Ų1576.1 Ų76.17%0.06643%0.429CS..Hα-helixtrans-64-44.7179.7-78-100.6000112Y152 V166 S167 K172 H173 G174 L175 I177 L195 I197Y152-F170 HydrophobicContact CD1-CE1 4.45Å; Y152-F170 AromaticContact CD1-CZ 3.92Å; Y152-F170 HydrophobicContact CD1-CZ 3.92Å; Y152-F170 AromaticContact CD2-CE1 3.51Å; Y152-F170 HydrophobicContact CD2-CE1 3.51Å; Y152-F170 AromaticContact CD2-CZ 3.67Å; Y152-F170 HydrophobicContact CD2-CZ 3.67Å; Y152-F170 HydrophobicContact CE1-CZ 4.34Å; Y152-F170 AromaticContact CE2-CE1 3.68Å; Y152-F170 HydrophobicContact CE2-CE1 3.68Å; Y152-F170 HydrophobicContact CE2-CZ 4.11Å; Y152-F170 AromaticContact CG-CE1 3.92Å; Y152-F170 HydrophobicContact CG-CE1 3.92Å; Y152-F170 AromaticContact CG-CZ 3.55Å; Y152-F170 HydrophobicContact CG-CZ 3.55Å; V166-F170 HydrophobicContact CG1-CD2 4.16Å; V166-F170 HydrophobicContact CG1-CE2 4.02Å; V166-F170 WeakPolarHBondContact O-CD2 3.37Å; V166-F170 PolarHBondContact O-N 3.47Å; S167-F170 PolarHBondContact O-N 3.18Å; F170-K172 VanDerWaalsContact C-N 3.32Å; F170-K172 PolarHBondContact O-N 3.42Å; F170-H173 CarbonylContact O-C 3.55Å; F170-H173 PolarHBondContact O-N 3.18Å; F170-G174 PolarHBondContact O-N 3.09Å; F170-L175 HydrophobicContact CB-CB 4.31Å; F170-L175 HydrophobicContact CD1-CB 3.95Å; F170-L175 HydrophobicContact CD1-CD1 3.77Å; F170-L175 HydrophobicContact CE1-CD1 4.13Å; F170-L175 PolarHBondContact O-N 3.33Å; F170-I177 HydrophobicContact CB-CD1 3.87Å; F170-I177 HydrophobicContact CB-CG1 4.11Å; F170-I177 HydrophobicContact CD1-CG1 4.3Å; F170-I177 HydrophobicContact CG-CD1 4.1Å; F170-I177 HydrophobicContact CG-CG1 4.26Å; F170-L195 HydrophobicContact CD2-CD1 3.93Å; F170-L195 HydrophobicContact CE1-CD1 4.21Å; F170-L195 HydrophobicContact CE2-CD1 3.29Å; F170-L195 HydrophobicContact CZ-CD1 3.45Å; F170-L195 VanDerWaalsContact CZ-CD1 3.45Å; F170-I197 HydrophobicContact CD1-CD1 3.36Å; F170-I197 HydrophobicContact CD1-CG1 4.12Å; F170-I197 HydrophobicContact CE1-CD1 3.33Å; F170-I197 HydrophobicContact CE1-CG1 3.74Å; F170-I197 HydrophobicContact CG-CD1 4.46Å; F170-I197 HydrophobicContact CZ-CD1 4.41Å
171M86.2Confident85.1Confident133 Ų13372.1 Ų72.166%0.65540%0.402SS*.Hα-helixtrans-56.2-43.1173.8178.3-121.4-70.300112.3S167 H173 G174S167-M171 VanDerWaalsContact O-CB 3.31Å; S167-M171 WeakPolarHBondContact O-CB 3.47Å; S167-M171 PolarHBondContact O-N 3.29Å; M171-H173 PolarHBondContact O-N 2.78Å; M171-G174 PolarHBondContact O-N 3.44Å
172K85.9Confident84.7Confident163 Ų16374.1 Ų74.171%0.70940%0.401SS*.Hα-helixtrans-63.2-24.1177-78.4176.4179.5-176.20113.9T168 I169 F170T168-K172 HydrophobicContact CG2-CD 4.44Å; T168-K172 WeakPolarHBondContact O-CB 3.48Å; T168-K172 VanDerWaalsContact O-CG 3.28Å; T168-K172 WeakPolarHBondContact O-CG 3.35Å; T168-K172 PolarHBondContact O-N 3.26Å; T168-K172 VanDerWaalsContact O-N 3.09Å; I169-K172 PolarHBondContact O-N 2.85Å; F170-K172 VanDerWaalsContact C-N 3.32Å; F170-K172 PolarHBondContact O-N 3.42Å
173H85.4Confident84.5Confident136 Ų13674.8 Ų74.863%0.6341%0.406SS*.THydrogen-bonded Turntrans-95.74.2176.5-6685.9000112.5I169 F170 M171 L175I169-H173 PolarHBondContact O-N 2.78Å; I169-H173 PolarHBondContact O-ND1 3.31Å; F170-H173 CarbonylContact O-C 3.55Å; F170-H173 PolarHBondContact O-N 3.18Å; M171-H173 PolarHBondContact O-N 2.78Å; H173-L175 HydrophobicContact CB-CD1 4.09Å; H173-L175 HydrophobicContact CB-CG 4Å; H173-L175 PolarHBondContact O-N 2.87Å
174G82Confident84.1Confident67 Ų6778.6 Ų78.669%0.69142%0.416SS*.THydrogen-bonded Turntrans67.323.5-178.300000113.7F170 M171F170-G174 PolarHBondContact O-N 3.09Å; M171-G174 PolarHBondContact O-N 3.44Å
175L81.7Confident83.1Confident66 Ų6681.1 Ų81.135%0.34642%0.417SS..  trans-90.8126.1-179.6-61.4175.9000110.3F170 H173 I197F170-L175 HydrophobicContact CB-CB 4.31Å; F170-L175 HydrophobicContact CD1-CB 3.95Å; F170-L175 HydrophobicContact CD1-CD1 3.77Å; F170-L175 HydrophobicContact CE1-CD1 4.13Å; F170-L175 PolarHBondContact O-N 3.33Å; H173-L175 HydrophobicContact CB-CD1 4.09Å; H173-L175 HydrophobicContact CB-CG 4Å; H173-L175 PolarHBondContact O-N 2.87Å; L175-I197 HydrophobicContact CB-CG2 4.08Å; L175-I197 HydrophobicContact CD2-CG2 4.31Å
176N82.4Confident82.3Confident68 Ų6876.2 Ų76.236%0.36441%0.407SS..  trans-79.1136.9173-159.836.1000110.3I197 D198 D202N176-I197 WeakPolarHBondContact O-CA 3.22Å; N176-I197 VanDerWaalsContact O-CG2 3.28Å; N176-I197 WeakPolarHBondContact O-CG2 3.44Å; N176-D198 PolarHBondContact ND2-OD2 2.84Å; N176-D198 PolarHBondContact O-N 3.44Å; N176-D202 PolarHBondContact ND2-OD2 2.87Å
177I84.7Confident81.6Confident41 Ų4186.3 Ų86.321%0.2144%0.444CS..EExtended strand (participates in β ladder)trans-104.295.3175.5-56.5167.8000107.6F170 K179 V180 L195 I197F170-I177 HydrophobicContact CB-CD1 3.87Å; F170-I177 HydrophobicContact CB-CG1 4.11Å; F170-I177 HydrophobicContact CD1-CG1 4.3Å; F170-I177 HydrophobicContact CG-CD1 4.1Å; F170-I177 HydrophobicContact CG-CG1 4.26Å; I177-K179 VanDerWaalsContact C-N 3.31Å; I177-K179 PolarHBondContact O-N 3.41Å; I177-V180 HydrophobicContact CG2-CG2 3.43Å; I177-V180 VanDerWaalsContact CG2-CG2 3.43Å; I177-L195 HydrophobicContact CD1-CD2 4.43Å; I177-L195 HydrophobicContact CG2-CB 4.35Å; I177-L195 HydrophobicContact CG2-CD2 4.23Å; I177-I197 HydrophobicContact CB-CD1 4.36Å; I177-I197 HydrophobicContact CG1-CD1 3.8Å; I177-I197 HydrophobicContact CG2-CD1 4.45Å
178G79.9Confident80.5Confident47 Ų4785.8 Ų85.849%0.48545%0.445SS..EExtended strand (participates in β ladder)trans-65.4-33.6178.500000112.8E196 D198G178-E196 PolarHBondContact N-O 2.9Å; G178-E196 VanDerWaalsContact N-O 3.08Å; G178-D198 WeakPolarHBondContact CA-OD1 3.18Å; G178-D198 PolarHBondContact N-OD2 2.99Å
179K80.8Confident79.9Confident93 Ų9388.2 Ų88.240%0.40445%0.453SS..EExtended strand (participates in β ladder)trans-149.6136.1177.8-179171.9160.3-134.50113.7I177 E196I177-K179 VanDerWaalsContact C-N 3.31Å; I177-K179 PolarHBondContact O-N 3.41Å; K179-E196 HydrophobicContact CB-CB 4.1Å; K179-E196 HydrophobicContact CB-CG 4.45Å; K179-E196 WeakPolarHBondContact CD-OE1 3.06Å; K179-E196 WeakPolarHBondContact CE-OE1 3.48Å; K179-E196 PolarHBondContact N-O 3.11Å; K179-E196 IonicContact NZ-OE1 3.86Å; K179-E196 PolarHBondContact NZ-OE1 3.2Å; K179-E196 IonicContact NZ-OE2 2.77Å; K179-E196 PolarHBondContact O-N 3.34Å
180V84.7Confident79.4Confident61 Ų6188.2 Ų88.237%0.3745%0.454SS..EExtended strand (participates in β ladder)trans-116.2124.4173.1-178.90000109.5L163 I177 M182 V193 L194 L195L163-V180 HydrophobicContact CD1-CG1 3.86Å; I177-V180 HydrophobicContact CG2-CG2 3.43Å; I177-V180 VanDerWaalsContact CG2-CG2 3.43Å; V180-M182 HydrophobicContact CG1-CG 4.04Å; V180-V193 HydrophobicContact CG1-CG1 4.25Å; V180-L194 WeakPolarHBondContact CA-O 3.39Å; V180-L195 HydrophobicContact CB-CD2 4.38Å; V180-L195 HydrophobicContact CG1-CD2 4.04Å; V180-L195 HydrophobicContact CG2-CD2 3.77Å
181T82Confident79.1Confident42 Ų4287.7 Ų87.726%0.25845%0.453SS..EExtended strand (participates in β ladder)trans-117128169.1-53.70000109.4V193 L194T181-V193 WeakPolarHBondContact O-CA 3.35Å; T181-L194 HydrophobicContact CG2-CD1 4.42Å; T181-L194 PolarHBondContact N-O 2.63Å; T181-L194 PolarHBondContact O-N 3.01Å
182M80.3Confident78.9Confident86 Ų8681.5 Ų81.542%0.42442%0.423SS..EExtended strand (participates in β ladder)trans-121.7122.6176.8-66.2-171.965.600110.6L163 V180 I192 V193L163-M182 HydrophobicContact CB-SD 4.22Å; L163-M182 HydrophobicContact CD1-SD 4.34Å; L163-M182 HydrophobicContact CD2-SD 4.04Å; L163-M182 HydrophobicContact CG-SD 4.43Å; V180-M182 HydrophobicContact CG1-CG 4.04Å; M182-I192 WeakPolarHBondContact CA-O 3.36Å; M182-V193 HydrophobicContact CE-CG2 3.84Å; M182-V193 HydrophobicContact CG-CB 4.49Å; M182-V193 HydrophobicContact CG-CG1 4.12Å; M182-V193 HydrophobicContact CG-CG2 4.01Å; M182-V193 HydrophobicContact SD-CG2 4.4Å
183T79.9Confident78.7Confident41 Ų4173.8 Ų73.825%0.25239%0.389SS..EExtended strand (participates in β ladder)trans-122.6137.9178.5-48.50000109.7Y141 G191 I192Y141-T183 HydrophobicContact CD1-CG2 4.19Å; T183-G191 CarbonylContact O-C 3.27Å; T183-G191 WeakPolarHBondContact O-CA 3.38Å; T183-I192 PolarHBondContact N-O 3.39Å; T183-I192 PolarHBondContact O-N 3.06Å
184R76.6Confident78.6Confident146 Ų14667.4 Ų67.455%0.55136%0.36SS*.EExtended strand (participates in β ladder)trans-140.3148.8176.165.3178.5-178.1-89.2-7.1110.7D158D158-R184 VanDerWaalsContact OD2-CD 3.26Å; D158-R184 WeakPolarHBondContact OD2-CD 3.38Å; D158-R184 IonicContact OD2-NE 2.89Å
185K67.6Low78.6Confident126 Ų12664.2 Ų64.255%0.54833%0.327SS..SBendtrans-71-56.9175.7-88176.4-172.8-175.40110.7Y141Y141-K185 HydrophobicContact CD1-CG 4.25Å; Y141-K185 HydrophobicContact CE1-CB 4.16Å; Y141-K185 HydrophobicContact CE1-CD 4.16Å; Y141-K185 HydrophobicContact CE1-CG 3.56Å
186T71.2Confident78.6Confident74 Ų7462.5 Ų62.545%0.45432%0.317SS..SBendtrans-140.6167.6169.7680000110G188 E189T186-G188 PolarHBondContact O-N 3.49Å; T186-E189 PolarHBondContact O-N 3.24Å; T186-E189 VanDerWaalsContact OG1-CG 3.25Å; T186-E189 WeakPolarHBondContact OG1-CG 3.27Å; T186-E189 PolarHBondContact OG1-OE2 3.05Å
187R71Confident78.6Confident225 Ų22559.6 Ų59.685%0.84930%0.301SS*.THydrogen-bonded Turntrans-63.2124.9-178.2-177-179.4179-179.6-0.3110.6
188G65.5Low78.2Confident31 Ų3159.5 Ų59.532%0.3230%0.301SS..THydrogen-bonded Turntrans86.9-4.1177.900000116.1K157 D158 T186K157-G188 WeakPolarHBondContact CE-O 3.04Å; D158-G188 PolarHBondContact OD2-N 2.84Å; T186-G188 PolarHBondContact O-N 3.49Å
189E75.9Confident77.2Confident98 Ų9863 Ų6346%0.45831%0.309SS..SBendtrans-87.4-171.9172.1-73.3-170.3154.500111.8D158 T186D158-E189 VanDerWaalsContact CB-O 3.31Å; D158-E189 WeakPolarHBondContact CB-O 3.32Å; D158-E189 PolarHBondContact N-O 3.45Å; T186-E189 PolarHBondContact O-N 3.24Å; T186-E189 VanDerWaalsContact OG1-CG 3.25Å; T186-E189 WeakPolarHBondContact OG1-CG 3.27Å; T186-E189 PolarHBondContact OG1-OE2 3.05Å
190N78.1Confident75.7Confident93 Ų9362 Ų6250%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-63.3146.5173.6-66.8-15.8000110.9Y141 N156Y141-N190 PolarHBondContact OH-O 3.31Å; N156-N190 CarbonylContact O-C 3.57Å; N156-N190 VanDerWaalsContact O-CA 3.29Å; N156-N190 WeakPolarHBondContact O-CA 3.35Å
191G79.4Confident73.6Confident4 Ų464.6 Ų64.64%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-147.8172.5176.100000110.8N156 T183N156-G191 PolarHBondContact N-O 3.28Å; N156-G191 PolarHBondContact O-N 3.44Å; N156-G191 VanDerWaalsContact O-O 3.12Å; T183-G191 CarbonylContact O-C 3.27Å; T183-G191 WeakPolarHBondContact O-CA 3.38Å
192I81.8Confident71.7Confident4 Ų467.8 Ų67.82%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-121.9133.6177.9-63.7157.6000108M138 Y141 I143 I153 I154 M182 T183 L194M138-I192 HydrophobicContact CB-CD1 4.44Å; M138-I192 HydrophobicContact CE-CB 4.41Å; M138-I192 HydrophobicContact CE-CD1 3.29Å; M138-I192 HydrophobicContact CE-CG1 3.57Å; M138-I192 HydrophobicContact CE-CG2 3.92Å; Y141-I192 VanDerWaalsContact CB-CD1 3.43Å; Y141-I192 HydrophobicContact CD1-CD1 4.25Å; Y141-I192 HydrophobicContact CD2-CD1 3.44Å; Y141-I192 VanDerWaalsContact CD2-CD1 3.44Å; Y141-I192 HydrophobicContact CD2-CG1 4.3Å; Y141-I192 HydrophobicContact CE2-CD1 4.23Å; Y141-I192 HydrophobicContact CG-CD1 3.47Å; Y141-I192 VanDerWaalsContact CG-CD1 3.47Å; Y141-I192 HydrophobicContact CG-CG1 4.37Å; I143-I192 HydrophobicContact CG2-CD1 4.47Å; I153-I192 HydrophobicContact CG2-CG2 3.94Å; I154-I192 WeakPolarHBondContact O-CA 3.22Å; M182-I192 WeakPolarHBondContact CA-O 3.36Å; T183-I192 PolarHBondContact N-O 3.39Å; T183-I192 PolarHBondContact O-N 3.06Å; I192-L194 HydrophobicContact CG2-CD2 3.61Å; I192-L194 HydrophobicContact CG2-CG 4.05Å
193V82.8Confident69.6Low1 Ų169.2 Ų69.21%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-110.1123.7165.6-174.90000108.2I154 L162 V180 T181 M182 L195I154-V193 HydrophobicContact CB-CB 4.26Å; I154-V193 PolarHBondContact N-O 2.61Å; I154-V193 PolarHBondContact O-N 2.97Å; L162-V193 HydrophobicContact CD2-CG2 4.05Å; V180-V193 HydrophobicContact CG1-CG1 4.25Å; T181-V193 WeakPolarHBondContact O-CA 3.35Å; M182-V193 HydrophobicContact CE-CG2 3.84Å; M182-V193 HydrophobicContact CG-CB 4.49Å; M182-V193 HydrophobicContact CG-CG1 4.12Å; M182-V193 HydrophobicContact CG-CG2 4.01Å; M182-V193 HydrophobicContact SD-CG2 4.4Å; V193-L195 HydrophobicContact CG1-CD2 3.73Å; V193-L195 HydrophobicContact CG1-CG 4.08Å
194L81.9Confident67.5Low1 Ų173.2 Ų73.21%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-104.3127.1170.8-50.2172.5000107.9I143 L145 T151 Y152 I153 V180 T181 I192I143-L194 HydrophobicContact CB-CD1 3.87Å; I143-L194 HydrophobicContact CG2-CD1 3.85Å; L145-L194 HydrophobicContact CD1-CD2 4.39Å; L145-L194 HydrophobicContact CD2-CB 4.45Å; L145-L194 HydrophobicContact CD2-CD1 3.8Å; L145-L194 HydrophobicContact CD2-CD2 4.17Å; L145-L194 HydrophobicContact CD2-CG 4.36Å; L145-L194 HydrophobicContact CG-CD1 4.29Å; T151-L194 HydrophobicContact CG2-CB 4.42Å; Y152-L194 WeakPolarHBondContact O-CA 3.47Å; I153-L194 HydrophobicContact CB-CD2 4.17Å; I153-L194 HydrophobicContact CD1-CD2 4.32Å; I153-L194 HydrophobicContact CG1-CD2 3.77Å; I153-L194 HydrophobicContact CG2-CD2 3.88Å; V180-L194 WeakPolarHBondContact CA-O 3.39Å; T181-L194 HydrophobicContact CG2-CD1 4.42Å; T181-L194 PolarHBondContact N-O 2.63Å; T181-L194 PolarHBondContact O-N 3.01Å; I192-L194 HydrophobicContact CG2-CD2 3.61Å; I192-L194 HydrophobicContact CG2-CG 4.05Å
195L82.8Confident65.4Low0 Ų073.9 Ų73.90%039%0.39CS..EExtended strand (participates in β ladder)trans-120107.2175.4-50.3163.9000107.3T151 Y152 I154 V166 F170 I177 V180 V193 I197T151-L195 CarbonylContact C-O 3.54Å; T151-L195 VanDerWaalsContact CA-O 3.31Å; T151-L195 WeakPolarHBondContact CA-O 3.41Å; Y152-L195 PolarHBondContact N-O 2.59Å; Y152-L195 PolarHBondContact O-N 2.96Å; I154-L195 HydrophobicContact CD1-CD1 3.85Å; V166-L195 HydrophobicContact CG1-CD1 3.3Å; V166-L195 HydrophobicContact CG1-CD2 4.3Å; V166-L195 HydrophobicContact CG1-CG 4.35Å; F170-L195 HydrophobicContact CD2-CD1 3.93Å; F170-L195 HydrophobicContact CE1-CD1 4.21Å; F170-L195 HydrophobicContact CE2-CD1 3.29Å; F170-L195 HydrophobicContact CZ-CD1 3.45Å; F170-L195 VanDerWaalsContact CZ-CD1 3.45Å; I177-L195 HydrophobicContact CD1-CD2 4.43Å; I177-L195 HydrophobicContact CG2-CB 4.35Å; I177-L195 HydrophobicContact CG2-CD2 4.23Å; V180-L195 HydrophobicContact CB-CD2 4.38Å; V180-L195 HydrophobicContact CG1-CD2 4.04Å; V180-L195 HydrophobicContact CG2-CD2 3.77Å; V193-L195 HydrophobicContact CG1-CD2 3.73Å; V193-L195 HydrophobicContact CG1-CG 4.08Å; L195-I197 HydrophobicContact CB-CD1 4.09Å
196E82.1Confident63.6Low30 Ų3071.4 Ų71.414%0.1440%0.4CS..EExtended strand (participates in β ladder)trans-82.8122.3167.9-60.6171.3-142.800106.8N149 T151 G178 K179N149-E196 HydrophobicContact CB-CB 4.21Å; T151-E196 HydrophobicContact CG2-CG 4.3Å; G178-E196 PolarHBondContact N-O 2.9Å; G178-E196 VanDerWaalsContact N-O 3.08Å; K179-E196 HydrophobicContact CB-CB 4.1Å; K179-E196 HydrophobicContact CB-CG 4.45Å; K179-E196 WeakPolarHBondContact CD-OE1 3.06Å; K179-E196 WeakPolarHBondContact CE-OE1 3.48Å; K179-E196 PolarHBondContact N-O 3.11Å; K179-E196 IonicContact NZ-OE1 3.86Å; K179-E196 PolarHBondContact NZ-OE1 3.2Å; K179-E196 IonicContact NZ-OE2 2.77Å; K179-E196 PolarHBondContact O-N 3.34Å
197I81.5Confident61.9Low7 Ų773.2 Ų73.24%0.03641%0.406CS..EExtended strand (participates in β ladder)trans-101.7138.8179.9-51.4-53000107.2N149 P150 Y152 F170 L175 N176 I177 L195N149-I197 WeakPolarHBondContact CB-O 3.41Å; P150-I197 HydrophobicContact CB-CB 4.44Å; P150-I197 WeakPolarHBondContact CD-O 3.27Å; P150-I197 PolarHBondContact O-N 3.36Å; Y152-I197 HydrophobicContact CD2-CD1 4.4Å; Y152-I197 HydrophobicContact CD2-CG1 3.64Å; Y152-I197 HydrophobicContact CE2-CG1 3.77Å; F170-I197 HydrophobicContact CD1-CD1 3.36Å; F170-I197 HydrophobicContact CD1-CG1 4.12Å; F170-I197 HydrophobicContact CE1-CD1 3.33Å; F170-I197 HydrophobicContact CE1-CG1 3.74Å; F170-I197 HydrophobicContact CG-CD1 4.46Å; F170-I197 HydrophobicContact CZ-CD1 4.41Å; L175-I197 HydrophobicContact CB-CG2 4.08Å; L175-I197 HydrophobicContact CD2-CG2 4.31Å; N176-I197 WeakPolarHBondContact O-CA 3.22Å; N176-I197 VanDerWaalsContact O-CG2 3.28Å; N176-I197 WeakPolarHBondContact O-CG2 3.44Å; I177-I197 HydrophobicContact CB-CD1 4.36Å; I177-I197 HydrophobicContact CG1-CD1 3.8Å; I177-I197 HydrophobicContact CG2-CD1 4.45Å; L195-I197 HydrophobicContact CB-CD1 4.09Å
198D75.9Confident60.1Low39 Ų3965.4 Ų65.421%0.20940%0.396CS..PPolyproline II helixtrans-71.7134.3175.2-52.5-43.4000108.5N176 G178 T200N176-D198 PolarHBondContact ND2-OD2 2.84Å; N176-D198 PolarHBondContact O-N 3.44Å; G178-D198 WeakPolarHBondContact CA-OD1 3.18Å; G178-D198 PolarHBondContact N-OD2 2.99Å; D198-T200 WeakPolarHBondContact CB-O 3.33Å; D198-T200 PolarHBondContact O-N 2.94Å
199D60.4Low59Low121 Ų12167.2 Ų67.265%0.64741%0.414SS*.SBendtrans-68.2-14.7-176.3-128.5-3.6000111.7P150P150-D199 HydrophobicContact CG-CB 4.48Å; P150-D199 WeakPolarHBondContact CG-OD1 3.39Å
200T49.2Very low58Low71 Ų7166.9 Ų66.944%0.43642%0.415SS..SBendtrans-138.8145.8-179.942.60000110.7D198 D202 D242D198-T200 WeakPolarHBondContact CB-O 3.33Å; D198-T200 PolarHBondContact O-N 2.94Å; T200-D202 PolarHBondContact O-N 2.75Å; T200-D242 PolarHBondContact OG1-OD2 3.36Å
201P40.7Very low57.4Low116 Ų11663.8 Ų63.875%0.75340%0.399SS*.  trans-61.8130.4169.9-13.526.6000109.3D203P201-D203 PolarHBondContact O-N 3.46Å; P201-D203 VanDerWaalsContact O-N 3.16Å
202D41.2Very low57.2Low109 Ų10964.3 Ų64.358%0.58340%0.401SS*.  trans-39.2120.1175.5-73.2-44.2000111N176 T200 P204N176-D202 PolarHBondContact ND2-OD2 2.87Å; T200-D202 PolarHBondContact O-N 2.75Å; D202-P204 VanDerWaalsContact O-CD 3.25Å; D202-P204 WeakPolarHBondContact O-CD 3.4Å
203D36.2Very low57.4Low116 Ų11664.2 Ų64.262%0.6240%0.4SS*.  trans-62.9118163.8-166.7-6.3000107.6P201 E205P201-D203 PolarHBondContact O-N 3.46Å; P201-D203 VanDerWaalsContact O-N 3.16Å; D203-E205 PolarHBondContact O-N 3.46Å; D203-E205 VanDerWaalsContact O-N 3.14Å
204P36.1Very low57.8Low126 Ų12668.1 Ų68.182%0.81842%0.415SS*.SBendtrans-67.4-11-176-18.531.6000114D202 G206D202-P204 VanDerWaalsContact O-CD 3.25Å; D202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-G206 PolarHBondContact O-N 2.91Å
205E31.2Very low58.4Low159 Ų15969.1 Ų69.174%0.74342%0.423SS*.SBendtrans-82.794.2174.5-67.3-168.5179.200109.3D203 I207D203-E205 PolarHBondContact O-N 3.46Å; D203-E205 VanDerWaalsContact O-N 3.14Å; E205-I207 PolarHBondContact O-N 3.09Å
206G31Very low59.1Low75 Ų7569.2 Ų69.277%0.77342%0.423SS*.  trans-39.9108.4178.400000112.2P204 G208P204-G206 PolarHBondContact O-N 2.91Å; G206-G208 PolarHBondContact O-N 3.45Å; G206-G208 VanDerWaalsContact O-N 3.1Å
207I34.8Very low59.9Low112 Ų11274.8 Ų74.857%0.57445%0.449SS*.  trans-47.4115.3-174.4-61.5171.8000108.9E205 G209 I210E205-I207 PolarHBondContact O-N 3.09Å; I207-G209 PolarHBondContact O-N 3.11Å; I207-I210 HydrophobicContact CG2-CG1 4.34Å
208G33.1Very low60.6Low61 Ų6178.1 Ų78.163%0.62946%0.464SS*.  trans-49.2137.1165.700000108.5G206 I210G206-G208 PolarHBondContact O-N 3.45Å; G206-G208 VanDerWaalsContact O-N 3.1Å; G208-I210 PolarHBondContact O-N 3.23Å; G208-I210 VanDerWaalsContact O-N 3.1Å
209G43.6Very low61.6Low69 Ų6976.2 Ų76.271%0.71145%0.454SS*.  trans-42.9119-16400000113.3I207 V211I207-G209 PolarHBondContact O-N 3.11Å; G209-V211 PolarHBondContact O-N 3.06Å; G209-V211 VanDerWaalsContact O-N 3.16Å
210I53.3Low63.4Low90 Ų9070.7 Ų70.746%0.46243%0.425SS..  trans-41.2120179.4-61.5170.6000109.4I207 G208 M212 L240I207-I210 HydrophobicContact CG2-CG1 4.34Å; G208-I210 PolarHBondContact O-N 3.23Å; G208-I210 VanDerWaalsContact O-N 3.1Å; I210-M212 HydrophobicContact CG2-CB 4.02Å; I210-M212 HydrophobicContact CG2-CG 3.6Å; I210-M212 PolarHBondContact O-N 3.38Å; I210-L240 HydrophobicContact CG2-CD2 4.07Å
211V66Low65.7Low29 Ų2972.5 Ų72.518%0.17643%0.429CS..  trans-71.874.8173.2-176.40000108G209 L232 T236 E239G209-V211 PolarHBondContact O-N 3.06Å; G209-V211 VanDerWaalsContact O-N 3.16Å; V211-L232 HydrophobicContact CG1-CD1 3.53Å; V211-T236 WeakPolarHBondContact O-CB 3.37Å; V211-T236 WeakPolarHBondContact O-CG2 3.4Å; V211-T236 PolarHBondContact O-OG1 2.93Å; V211-E239 WeakPolarHBondContact CG2-OE1 3.45Å; V211-E239 WeakPolarHBondContact CG2-OE2 3.44Å; V211-E239 PolarHBondContact N-OE2 2.78Å
212M75.9Confident68.4Low14 Ų1469.2 Ų69.27%0.06940%0.403CS..  trans-109.6144.7171.1-92.6-56.4-6300110.6L4 I210 Y214 Q222 T236 L240 L361L4-M212 HydrophobicContact CD1-CE 3.75Å; I210-M212 HydrophobicContact CG2-CB 4.02Å; I210-M212 HydrophobicContact CG2-CG 3.6Å; I210-M212 PolarHBondContact O-N 3.38Å; M212-Y214 HydrophobicContact CB-CE2 4Å; M212-Q222 PolarHBondContact O-NE2 2.85Å; M212-Q222 VanDerWaalsContact O-NE2 3.08Å; M212-T236 HydrophobicContact SD-CG2 3.57Å; M212-T236 VanDerWaalsContact SD-CG2 3.57Å; M212-L240 HydrophobicContact CG-CD2 4.34Å; M212-L240 HydrophobicContact SD-CD1 3.83Å; M212-L361 HydrophobicContact CE-CD2 4.28Å
213F86.1Confident71Confident3 Ų364.3 Ų64.31%0.01338%0.377CS..  trans-118.9130.9172.543.4-95000109.2E218 L219 L232 M233 T236 A358 L361 V362F213-E218 HydrophobicContact CB-CB 4.14Å; F213-L219 HydrophobicContact CB-CB 4.2Å; F213-L219 HydrophobicContact CD1-CD1 3.93Å; F213-L219 HydrophobicContact CD2-CB 4.03Å; F213-L219 HydrophobicContact CD2-CD1 3.82Å; F213-L219 HydrophobicContact CD2-CG 4.35Å; F213-L219 HydrophobicContact CE1-CD1 3.89Å; F213-L219 HydrophobicContact CE2-CD1 3.78Å; F213-L219 HydrophobicContact CG-CB 4.11Å; F213-L219 HydrophobicContact CG-CD1 3.89Å; F213-L219 HydrophobicContact CZ-CD1 3.81Å; F213-L232 HydrophobicContact CD1-CD2 4.13Å; F213-L232 HydrophobicContact CD1-CG 4.34Å; F213-L232 HydrophobicContact CE1-CD2 4.17Å; F213-L232 HydrophobicContact CE1-CG 4.04Å; F213-M233 HydrophobicContact CZ-CE 4.4Å; F213-M233 HydrophobicContact CZ-SD 3.71Å; F213-T236 HydrophobicContact CE1-CG2 4.44Å; F213-A358 HydrophobicContact CE2-CB 4.11Å; F213-A358 HydrophobicContact CZ-CB 3.84Å; F213-L361 HydrophobicContact CE2-CD2 4.44Å; F213-V362 HydrophobicContact CD2-CG2 3.55Å; F213-V362 HydrophobicContact CE2-CG2 3.98Å
214Y89.9Confident73.8Confident82 Ų8264.6 Ų64.632%0.32237%0.373SS..  trans-108.2-14.6-176-59.1-83.3000112.5M1 L4 M212 E218 N366M1-Y214 WeakPolarHBondContact CE-OH 3.43Å; L4-Y214 HydrophobicContact CD1-CD1 4.4Å; L4-Y214 HydrophobicContact CD1-CE1 3.8Å; L4-Y214 HydrophobicContact CD2-CD1 3.95Å; L4-Y214 HydrophobicContact CD2-CE1 3.96Å; L4-Y214 HydrophobicContact CG-CE1 4.12Å; M212-Y214 HydrophobicContact CB-CE2 4Å; Y214-E218 WeakPolarHBondContact CA-OE2 3.41Å; Y214-E218 WeakPolarHBondContact CB-OE2 3.25Å; Y214-E218 PolarHBondContact N-OE2 2.99Å; Y214-N366 PolarHBondContact O-ND2 3.21Å
215S95.9Very high76.6Confident23 Ų2365.3 Ų65.316%0.16137%0.37CS..SBendtrans-133161.617862.50000111.1Q217 E218 L219 D458S215-Q217 VanDerWaalsContact C-N 3.25Å; S215-Q217 PolarHBondContact O-N 2.91Å; S215-E218 PolarHBondContact N-OE2 2.98Å; S215-E218 PolarHBondContact O-N 2.93Å; S215-E218 WeakPolarHBondContact OG-CB 3.38Å; S215-E218 VanDerWaalsContact OG-CG 3.25Å; S215-E218 WeakPolarHBondContact OG-CG 3.41Å; S215-E218 PolarHBondContact OG-N 3.46Å; S215-L219 WeakPolarHBondContact O-CB 3.47Å; S215-L219 PolarHBondContact O-N 3.04Å; S215-D458 WeakPolarHBondContact CA-OD1 3.42Å; S215-D458 WeakPolarHBondContact CB-OD1 3.41Å
216I98.1Very high79.8Confident1 Ų161 Ų611%0.00535%0.348CS..Hα-helixtrans-64.3-38.8174.5-57.5-64.3000109.1L219 V220 F359 V362 A403 L406 P457 D458I216-L219 PolarHBondContact O-N 2.77Å; I216-V220 HydrophobicContact CG2-CG2 4.33Å; I216-V220 WeakPolarHBondContact O-CB 3.5Å; I216-V220 WeakPolarHBondContact O-CG2 3.39Å; I216-V220 PolarHBondContact O-N 2.98Å; I216-F359 HydrophobicContact CD1-CD1 3.84Å; I216-F359 HydrophobicContact CD1-CE1 4.39Å; I216-F359 HydrophobicContact CG2-CE1 4.05Å; I216-V362 HydrophobicContact CD1-CB 3.8Å; I216-V362 HydrophobicContact CD1-CG1 3.58Å; I216-V362 HydrophobicContact CD1-CG2 4.37Å; I216-V362 HydrophobicContact CG1-CG1 3.85Å; I216-A403 HydrophobicContact CG2-CB 3.56Å; I216-L406 HydrophobicContact CD1-CD1 3.84Å; I216-P457 HydrophobicContact CB-CB 4.12Å; I216-P457 HydrophobicContact CG1-CB 4.33Å; I216-P457 HydrophobicContact CG2-CB 3.79Å; I216-P457 HydrophobicContact CG2-CG 4.32Å; I216-D458 WeakPolarHBondContact CB-OD1 3.42Å; I216-D458 WeakPolarHBondContact CG1-OD1 3.5Å; I216-D458 PolarHBondContact N-OD1 2.85Å; I216-D458 PolarHBondContact N-OD2 3.33Å
217Q97.8Very high82.9Confident147 Ų14763 Ų6369%0.68735%0.347SS*.Hα-helixtrans-58-47.1172.9-175.5179.1-4.700112.5S215 V220 E221 D458S215-Q217 VanDerWaalsContact C-N 3.25Å; S215-Q217 PolarHBondContact O-N 2.91Å; Q217-V220 PolarHBondContact O-N 3.35Å; Q217-E221 PolarHBondContact O-N 3.39Å; Q217-D458 PolarHBondContact N-OD2 3Å
218E96.6Very high85.9Confident77 Ų7760 Ų6036%0.3633%0.334SS..Hα-helixtrans-64.1-44176.7-77.7169.7-173.800112F213 Y214 S215 V220 E221 Q222F213-E218 HydrophobicContact CB-CB 4.14Å; Y214-E218 WeakPolarHBondContact CA-OE2 3.41Å; Y214-E218 WeakPolarHBondContact CB-OE2 3.25Å; Y214-E218 PolarHBondContact N-OE2 2.99Å; S215-E218 PolarHBondContact N-OE2 2.98Å; S215-E218 PolarHBondContact O-N 2.93Å; S215-E218 WeakPolarHBondContact OG-CB 3.38Å; S215-E218 VanDerWaalsContact OG-CG 3.25Å; S215-E218 WeakPolarHBondContact OG-CG 3.41Å; S215-E218 PolarHBondContact OG-N 3.46Å; E218-V220 VanDerWaalsContact C-N 3.3Å; E218-V220 PolarHBondContact O-N 3.13Å; E218-E221 PolarHBondContact O-N 3.29Å; E218-Q222 WeakPolarHBondContact O-CB 3.45Å; E218-Q222 VanDerWaalsContact O-CG 3.3Å; E218-Q222 WeakPolarHBondContact O-CG 3.24Å; E218-Q222 PolarHBondContact O-N 3.16Å
219L97.5Very high89Confident0 Ų057.2 Ų57.20%031%0.305CS..Hα-helixtrans-56.2-46.2175.9174.560.4000111.2F213 S215 I216 A223 V229 L232 A358 F359 V362F213-L219 HydrophobicContact CB-CB 4.2Å; F213-L219 HydrophobicContact CD1-CD1 3.93Å; F213-L219 HydrophobicContact CD2-CB 4.03Å; F213-L219 HydrophobicContact CD2-CD1 3.82Å; F213-L219 HydrophobicContact CD2-CG 4.35Å; F213-L219 HydrophobicContact CE1-CD1 3.89Å; F213-L219 HydrophobicContact CE2-CD1 3.78Å; F213-L219 HydrophobicContact CG-CB 4.11Å; F213-L219 HydrophobicContact CG-CD1 3.89Å; F213-L219 HydrophobicContact CZ-CD1 3.81Å; S215-L219 WeakPolarHBondContact O-CB 3.47Å; S215-L219 PolarHBondContact O-N 3.04Å; I216-L219 PolarHBondContact O-N 2.77Å; L219-A223 WeakPolarHBondContact O-CB 3.45Å; L219-A223 PolarHBondContact O-N 2.98Å; L219-V229 HydrophobicContact CD1-CG1 3.92Å; L219-V229 HydrophobicContact CG-CG1 4.43Å; L219-L232 HydrophobicContact CD1-CD2 3.76Å; L219-A358 HydrophobicContact CD1-CB 4.03Å; L219-A358 HydrophobicContact CD2-CB 4.2Å; L219-F359 HydrophobicContact CD2-CD1 3.72Å; L219-F359 HydrophobicContact CD2-CD2 4.15Å; L219-F359 HydrophobicContact CD2-CE1 3.84Å; L219-F359 HydrophobicContact CD2-CE2 4.23Å; L219-F359 HydrophobicContact CD2-CG 3.89Å; L219-F359 HydrophobicContact CD2-CZ 4.09Å; L219-V362 HydrophobicContact CD2-CG2 4.38Å
220V98Very high91.6Very high5 Ų553.9 Ų53.93%0.0327%0.271CS..Hα-helixtrans-66.3-39.1179.4167.40000112.2I216 Q217 E218 P399 E400 A403I216-V220 HydrophobicContact CG2-CG2 4.33Å; I216-V220 WeakPolarHBondContact O-CB 3.5Å; I216-V220 WeakPolarHBondContact O-CG2 3.39Å; I216-V220 PolarHBondContact O-N 2.98Å; Q217-V220 PolarHBondContact O-N 3.35Å; E218-V220 VanDerWaalsContact C-N 3.3Å; E218-V220 PolarHBondContact O-N 3.13Å; V220-P399 HydrophobicContact CB-CB 4.43Å; V220-P399 HydrophobicContact CG1-CB 4.23Å; V220-P399 HydrophobicContact CG2-CB 4.14Å; V220-E400 WeakPolarHBondContact CG1-OE2 2.99Å; V220-A403 HydrophobicContact CG2-CB 3.85Å
221E97.6Very high93.7Very high109 Ų10952.3 Ų52.351%0.50926%0.261SS..Hα-helixtrans-69.1-48.8177.9-168.661.9-141.900111.5Q217 E218 A223 K224Q217-E221 PolarHBondContact O-N 3.39Å; E218-E221 PolarHBondContact O-N 3.29Å; E221-A223 VanDerWaalsContact C-N 3.3Å; E221-A223 PolarHBondContact O-N 2.97Å; E221-K224 WeakPolarHBondContact O-CB 3.2Å; E221-K224 WeakPolarHBondContact O-CG 3.33Å; E221-K224 PolarHBondContact O-N 3.49Å; E221-K224 IonicContact OE1-NZ 2.61Å; E221-K224 PolarHBondContact OE1-NZ 3.39Å; E221-K224 IonicContact OE2-NZ 3.75Å; E221-K224 PolarHBondContact OE2-NZ 3.35Å
222Q95.8Very high95.2Very high46 Ų4650.9 Ų50.922%0.21525%0.253CS..Hα-helixtrans-64.6-34.1180-68.5-179.93100111.9M212 E218 K224 D225 Y226 L232M212-Q222 PolarHBondContact O-NE2 2.85Å; M212-Q222 VanDerWaalsContact O-NE2 3.08Å; E218-Q222 WeakPolarHBondContact O-CB 3.45Å; E218-Q222 VanDerWaalsContact O-CG 3.3Å; E218-Q222 WeakPolarHBondContact O-CG 3.24Å; E218-Q222 PolarHBondContact O-N 3.16Å; Q222-K224 PolarHBondContact O-N 2.79Å; Q222-D225 PolarHBondContact O-N 2.95Å; Q222-Y226 WeakPolarHBondContact O-CD2 3.37Å; Q222-L232 HydrophobicContact CB-CD1 4.3Å; Q222-L232 HydrophobicContact CB-CD2 3.85Å
223A96.6Very high96.2Very high6 Ų650.2 Ų50.25%0.0525%0.25CC..G310 helixtrans-61.5-14.1178.500000113.8L219 E221 D225 Y226 V229 L232 P399L219-A223 WeakPolarHBondContact O-CB 3.45Å; L219-A223 PolarHBondContact O-N 2.98Å; E221-A223 VanDerWaalsContact C-N 3.3Å; E221-A223 PolarHBondContact O-N 2.97Å; A223-D225 VanDerWaalsContact C-N 3.27Å; A223-D225 PolarHBondContact O-N 2.68Å; A223-Y226 PolarHBondContact O-N 3.25Å; A223-V229 HydrophobicContact CB-CG2 3.89Å; A223-L232 HydrophobicContact CB-CD2 4.14Å; A223-P399 HydrophobicContact CB-CB 4.26Å; A223-P399 HydrophobicContact CB-CG 3.95Å
224K94.8Very high96.7Very high122 Ų12250.2 Ų50.253%0.5325%0.25SC..G310 helixtrans-70.7-23.5174.9-63.4172.7-174168.50113.2E221 Q222 Y226E221-K224 WeakPolarHBondContact O-CB 3.2Å; E221-K224 WeakPolarHBondContact O-CG 3.33Å; E221-K224 PolarHBondContact O-N 3.49Å; E221-K224 IonicContact OE1-NZ 2.61Å; E221-K224 PolarHBondContact OE1-NZ 3.39Å; E221-K224 IonicContact OE2-NZ 3.75Å; E221-K224 PolarHBondContact OE2-NZ 3.35Å; Q222-K224 PolarHBondContact O-N 2.79Å; K224-Y226 VanDerWaalsContact C-N 3.29Å
225D95.5Very high96.9Very high141 Ų14147.3 Ų47.375%0.75424%0.243SC*.G310 helixtrans-87.3-2.2-179.8-64-39.7000112.5Q222 A223Q222-D225 PolarHBondContact O-N 2.95Å; A223-D225 VanDerWaalsContact C-N 3.27Å; A223-D225 PolarHBondContact O-N 2.68Å
226Y96.9Very high96.6Very high69 Ų6946.2 Ų46.227%0.27124%0.235SC..SBendtrans-123.8156.5-177.1-67.7-98.2000111.4Q222 A223 K224 T228 L232 A235Q222-Y226 WeakPolarHBondContact O-CD2 3.37Å; A223-Y226 PolarHBondContact O-N 3.25Å; K224-Y226 VanDerWaalsContact C-N 3.29Å; Y226-T228 VanDerWaalsContact C-N 3.28Å; Y226-T228 PolarHBondContact O-N 3.2Å; Y226-L232 HydrophobicContact CD1-CB 4.21Å; Y226-L232 HydrophobicContact CD2-CB 3.84Å; Y226-L232 HydrophobicContact CD2-CD1 3.76Å; Y226-L232 HydrophobicContact CD2-CG 4.3Å; Y226-L232 HydrophobicContact CE2-CB 4.36Å; Y226-L232 HydrophobicContact CE2-CD1 3.46Å; Y226-L232 VanDerWaalsContact CE2-CD1 3.46Å; Y226-L232 HydrophobicContact CE2-CG 4.45Å; Y226-L232 HydrophobicContact CG-CB 3.76Å; Y226-L232 HydrophobicContact CG-CD1 4.43Å; Y226-A235 HydrophobicContact CD1-CB 4.49Å; Y226-A235 HydrophobicContact CE1-CB 3.6Å
227P96.6Very high96.1Very high116 Ų11646.2 Ų46.275%0.75324%0.235SC*.SBendtrans-59.7-37.8176.7-24.734.8000113.4E231P227-E231 HydrophobicContact CB-CG 4.49Å; P227-E231 HydrophobicContact CG-CG 4.49Å
228T98.1Very high95.5Very high49 Ų4942.8 Ų42.830%0.30122%0.22SC..SBendtrans-145.6165.9-179.763.30000110Y226 G230 E231 L232 D351Y226-T228 VanDerWaalsContact C-N 3.28Å; Y226-T228 PolarHBondContact O-N 3.2Å; T228-G230 PolarHBondContact O-N 3.23Å; T228-G230 PolarHBondContact OG1-N 3.49Å; T228-E231 PolarHBondContact O-N 3Å; T228-E231 WeakPolarHBondContact OG1-CG 3.48Å; T228-E231 PolarHBondContact OG1-N 3.14Å; T228-L232 PolarHBondContact O-N 2.73Å; T228-D351 VanDerWaalsContact CB-OD1 3.24Å; T228-D351 WeakPolarHBondContact CB-OD1 3.41Å; T228-D351 PolarHBondContact OG1-OD1 3.22Å
229V98.2Very high94.8Very high3 Ų342.5 Ų42.52%0.01822%0.218CC..Hα-helixtrans-63.8-34170.6-178.40000110.8L219 A223 L232 M233 T355 A358 F359 T393 P399L219-V229 HydrophobicContact CD1-CG1 3.92Å; L219-V229 HydrophobicContact CG-CG1 4.43Å; A223-V229 HydrophobicContact CB-CG2 3.89Å; V229-L232 WeakPolarHBondContact O-CB 3.5Å; V229-L232 PolarHBondContact O-N 3.2Å; V229-M233 PolarHBondContact O-N 3.33Å; V229-T355 HydrophobicContact CB-CG2 3.87Å; V229-T355 HydrophobicContact CG1-CG2 4Å; V229-T355 HydrophobicContact CG2-CG2 4.49Å; V229-A358 HydrophobicContact CG1-CB 3.97Å; V229-F359 HydrophobicContact CG1-CE2 4.19Å; V229-T393 HydrophobicContact CG2-CG2 4.35Å; V229-P399 HydrophobicContact CG2-CB 4.12Å; V229-P399 HydrophobicContact CG2-CG 3.9Å
230G98.1Very high93.8Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-64.9-41.3176.400000112.7T228 L232 M233 I234 D351 T355T228-G230 PolarHBondContact O-N 3.23Å; T228-G230 PolarHBondContact OG1-N 3.49Å; G230-L232 PolarHBondContact O-N 3.24Å; G230-M233 PolarHBondContact O-N 3.07Å; G230-M233 VanDerWaalsContact O-N 3.16Å; G230-I234 WeakPolarHBondContact O-CG1 3.36Å; G230-I234 PolarHBondContact O-N 2.96Å; G230-D351 VanDerWaalsContact CA-OD1 3.24Å; G230-D351 WeakPolarHBondContact CA-OD1 3.36Å; G230-D351 PolarHBondContact N-OD1 2.98Å; G230-T355 PolarHBondContact N-OG1 3.48Å
231E97.9Very high92.6Very high56 Ų5647.3 Ų47.326%0.26225%0.245SC..Hα-helixtrans-66-35.6175.7-73.5-64.4139.100112.7P227 T228 I234 A235 R245P227-E231 HydrophobicContact CB-CG 4.49Å; P227-E231 HydrophobicContact CG-CG 4.49Å; T228-E231 PolarHBondContact O-N 3Å; T228-E231 WeakPolarHBondContact OG1-CG 3.48Å; T228-E231 PolarHBondContact OG1-N 3.14Å; E231-I234 PolarHBondContact O-N 3.06Å; E231-A235 WeakPolarHBondContact O-CB 3.43Å; E231-A235 PolarHBondContact O-N 3.21Å; E231-R245 IonicContact OE1-CZ 3.87Å; E231-R245 IonicContact OE1-NH2 2.96Å; E231-R245 PolarHBondContact OE1-NH2 3.31Å; E231-R245 IonicContact OE2-NE 3.97Å; E231-R245 IonicContact OE2-NH2 2.72Å
232L97Very high91.5Very high0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-58.4-49.8168.9166.663.2000110.8V211 F213 L219 Q222 A223 Y226 T228 V229 G230 I234 A235 T236V211-L232 HydrophobicContact CG1-CD1 3.53Å; F213-L232 HydrophobicContact CD1-CD2 4.13Å; F213-L232 HydrophobicContact CD1-CG 4.34Å; F213-L232 HydrophobicContact CE1-CD2 4.17Å; F213-L232 HydrophobicContact CE1-CG 4.04Å; L219-L232 HydrophobicContact CD1-CD2 3.76Å; Q222-L232 HydrophobicContact CB-CD1 4.3Å; Q222-L232 HydrophobicContact CB-CD2 3.85Å; A223-L232 HydrophobicContact CB-CD2 4.14Å; Y226-L232 HydrophobicContact CD1-CB 4.21Å; Y226-L232 HydrophobicContact CD2-CB 3.84Å; Y226-L232 HydrophobicContact CD2-CD1 3.76Å; Y226-L232 HydrophobicContact CD2-CG 4.3Å; Y226-L232 HydrophobicContact CE2-CB 4.36Å; Y226-L232 HydrophobicContact CE2-CD1 3.46Å; Y226-L232 VanDerWaalsContact CE2-CD1 3.46Å; Y226-L232 HydrophobicContact CE2-CG 4.45Å; Y226-L232 HydrophobicContact CG-CB 3.76Å; Y226-L232 HydrophobicContact CG-CD1 4.43Å; T228-L232 PolarHBondContact O-N 2.73Å; V229-L232 WeakPolarHBondContact O-CB 3.5Å; V229-L232 PolarHBondContact O-N 3.2Å; G230-L232 PolarHBondContact O-N 3.24Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 3.4Å; L232-A235 PolarHBondContact O-N 2.93Å; L232-T236 PolarHBondContact O-N 3.04Å; L232-T236 PolarHBondContact O-OG1 2.83Å; L232-T236 VanDerWaalsContact O-OG1 3.12Å
233M97.3Very high90.9Very high0 Ų050.5 Ų50.50%026%0.259CS..Hα-helixtrans-64.1-36.9-179.8-175.571-10100112.6V9 F213 V229 G230 T236 E237 F354 A358 L361V9-M233 HydrophobicContact CB-CE 3.95Å; V9-M233 HydrophobicContact CB-CG 3.94Å; V9-M233 HydrophobicContact CB-SD 3.89Å; V9-M233 HydrophobicContact CG2-CG 3.73Å; V9-M233 HydrophobicContact CG2-SD 3.96Å; F213-M233 HydrophobicContact CZ-CE 4.4Å; F213-M233 HydrophobicContact CZ-SD 3.71Å; V229-M233 PolarHBondContact O-N 3.33Å; G230-M233 PolarHBondContact O-N 3.07Å; G230-M233 VanDerWaalsContact O-N 3.16Å; M233-T236 HydrophobicContact CE-CG2 3.7Å; M233-T236 PolarHBondContact O-N 3.2Å; M233-E237 WeakPolarHBondContact O-CB 3.4Å; M233-E237 PolarHBondContact O-N 3.01Å; M233-F354 HydrophobicContact CB-CB 4.29Å; M233-F354 HydrophobicContact CB-CD1 4.43Å; M233-F354 HydrophobicContact CG-CB 4.41Å; M233-F354 HydrophobicContact CG-CD1 3.97Å; M233-A358 HydrophobicContact CB-CB 4.04Å; M233-A358 HydrophobicContact CG-CB 4.13Å; M233-A358 HydrophobicContact SD-CB 3.86Å; M233-L361 HydrophobicContact CE-CD2 4.17Å; M233-L361 HydrophobicContact SD-CD2 4.27Å
234I96.6Very high90.7Very high3 Ų353.3 Ų53.32%0.01528%0.276CS..Hα-helixtrans-62.2-47.1174.1-70.1166.6000110.1G230 E231 L232 T236 E237 M238 R245 F354G230-I234 WeakPolarHBondContact O-CG1 3.36Å; G230-I234 PolarHBondContact O-N 2.96Å; E231-I234 PolarHBondContact O-N 3.06Å; L232-I234 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 3.4Å; I234-T236 PolarHBondContact O-N 3.37Å; I234-E237 PolarHBondContact O-N 3.03Å; I234-M238 HydrophobicContact CG2-SD 4.16Å; I234-M238 WeakPolarHBondContact O-CG 3.43Å; I234-M238 PolarHBondContact O-N 3.41Å; I234-R245 HydrophobicContact CG2-CG 3.93Å; I234-F354 HydrophobicContact CD1-CD2 3.82Å; I234-F354 HydrophobicContact CD1-CE2 3.96Å; I234-F354 HydrophobicContact CD1-CG 4.25Å; I234-F354 HydrophobicContact CG1-CD1 3.82Å; I234-F354 HydrophobicContact CG1-CD2 3.76Å; I234-F354 HydrophobicContact CG1-CE1 3.87Å; I234-F354 HydrophobicContact CG1-CE2 3.82Å; I234-F354 HydrophobicContact CG1-CG 3.78Å; I234-F354 HydrophobicContact CG1-CZ 3.91Å
235A93.6Very high90.8Very high21 Ų2152 Ų5217%0.17427%0.267CS..Hα-helixtrans-61.4-43.7177.600000111.9Y226 E231 L232 E237 M238 E239Y226-A235 HydrophobicContact CD1-CB 4.49Å; Y226-A235 HydrophobicContact CE1-CB 3.6Å; E231-A235 WeakPolarHBondContact O-CB 3.43Å; E231-A235 PolarHBondContact O-N 3.21Å; L232-A235 PolarHBondContact O-N 2.93Å; A235-E237 VanDerWaalsContact C-N 3.34Å; A235-E237 PolarHBondContact O-N 2.91Å; A235-M238 PolarHBondContact O-N 3.23Å; A235-E239 PolarHBondContact O-N 2.57Å; A235-E239 VanDerWaalsContact O-N 3.15Å
236T89.1Confident90.9Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-57.5-45172.8-64.20000111.7V211 M212 F213 L232 M233 I234 M238 E239 L240V211-T236 WeakPolarHBondContact O-CB 3.37Å; V211-T236 WeakPolarHBondContact O-CG2 3.4Å; V211-T236 PolarHBondContact O-OG1 2.93Å; M212-T236 HydrophobicContact SD-CG2 3.57Å; M212-T236 VanDerWaalsContact SD-CG2 3.57Å; F213-T236 HydrophobicContact CE1-CG2 4.44Å; L232-T236 PolarHBondContact O-N 3.04Å; L232-T236 PolarHBondContact O-OG1 2.83Å; L232-T236 VanDerWaalsContact O-OG1 3.12Å; M233-T236 HydrophobicContact CE-CG2 3.7Å; M233-T236 PolarHBondContact O-N 3.2Å; I234-T236 PolarHBondContact O-N 3.37Å; T236-M238 PolarHBondContact O-N 3.38Å; T236-E239 PolarHBondContact O-N 2.74Å; T236-L240 HydrophobicContact CG2-CD1 3.7Å; T236-L240 HydrophobicContact CG2-CG 4.34Å; T236-L240 WeakPolarHBondContact O-CB 3.34Å; T236-L240 VanDerWaalsContact O-CG 3.23Å; T236-L240 WeakPolarHBondContact O-CG 3.5Å; T236-L240 PolarHBondContact O-N 2.84Å
237E88Confident90.7Very high1 Ų152.8 Ų52.81%0.00527%0.269CS..Hα-helixtrans-66.8-36.4-179.4-168.671.4-15900112.3S8 V9 F10 M233 I234 A235 L240 T241 I248S8-E237 WeakPolarHBondContact CA-OE2 3.44Å; S8-E237 WeakPolarHBondContact CB-OE1 3.35Å; S8-E237 VanDerWaalsContact OG-CD 3.26Å; S8-E237 PolarHBondContact OG-OE1 2.85Å; S8-E237 PolarHBondContact OG-OE2 3.37Å; V9-E237 HydrophobicContact CG1-CG 4.36Å; V9-E237 PolarHBondContact N-OE2 2.95Å; F10-E237 HydrophobicContact CE2-CG 4.05Å; M233-E237 WeakPolarHBondContact O-CB 3.4Å; M233-E237 PolarHBondContact O-N 3.01Å; I234-E237 PolarHBondContact O-N 3.03Å; A235-E237 VanDerWaalsContact C-N 3.34Å; A235-E237 PolarHBondContact O-N 2.91Å; E237-L240 PolarHBondContact O-N 3.47Å; E237-T241 HydrophobicContact CG-CG2 4.45Å; E237-T241 PolarHBondContact O-N 3.34Å; E237-T241 PolarHBondContact O-OG1 3.05Å; E237-T241 VanDerWaalsContact OE1-CG2 3.24Å; E237-T241 WeakPolarHBondContact OE1-CG2 3.49Å; E237-I248 HydrophobicContact CB-CD1 3.91Å; E237-I248 HydrophobicContact CB-CG1 4.45Å; E237-I248 HydrophobicContact CB-CG2 4.36Å; E237-I248 HydrophobicContact CG-CD1 3.79Å; E237-I248 HydrophobicContact CG-CG1 3.86Å; E237-I248 HydrophobicContact CG-CG2 4.12Å
238M86.1Confident90.6Very high74 Ų7447.2 Ų47.237%0.36523%0.233SC..Hα-helixtrans-60.9-45174.3-70.5172.563.400111.3I234 A235 T236 L240 D242 R245 I248I234-M238 HydrophobicContact CG2-SD 4.16Å; I234-M238 WeakPolarHBondContact O-CG 3.43Å; I234-M238 PolarHBondContact O-N 3.41Å; A235-M238 PolarHBondContact O-N 3.23Å; T236-M238 PolarHBondContact O-N 3.38Å; M238-L240 VanDerWaalsContact C-N 3.33Å; M238-L240 PolarHBondContact O-N 3.47Å; M238-D242 PolarHBondContact O-N 2.89Å; M238-R245 HydrophobicContact CE-CB 4.32Å; M238-R245 HydrophobicContact SD-CB 3.84Å; M238-R245 HydrophobicContact SD-CG 4.44Å; M238-I248 HydrophobicContact CB-CD1 4.12Å; M238-I248 HydrophobicContact CG-CD1 3.38Å
239E81.8Confident90.6Very high72 Ų7246 Ų4634%0.33623%0.225SC..Hα-helixtrans-69.4-28.5177.8-69.9-177.8-172.500113.3V211 A235 T236V211-E239 WeakPolarHBondContact CG2-OE1 3.45Å; V211-E239 WeakPolarHBondContact CG2-OE2 3.44Å; V211-E239 PolarHBondContact N-OE2 2.78Å; A235-E239 PolarHBondContact O-N 2.57Å; A235-E239 VanDerWaalsContact O-N 3.15Å; T236-E239 PolarHBondContact O-N 2.74Å
240L76.2Confident90.6Very high59 Ų5948.2 Ų48.231%0.30924%0.243SC..Hα-helixtrans-85.1-27.7-177.2-74173.4000114.4R7 I210 M212 T236 E237 M238R7-L240 VanDerWaalsContact O-CD1 3.24Å; R7-L240 WeakPolarHBondContact O-CD1 3.49Å; I210-L240 HydrophobicContact CG2-CD2 4.07Å; M212-L240 HydrophobicContact CG-CD2 4.34Å; M212-L240 HydrophobicContact SD-CD1 3.83Å; T236-L240 HydrophobicContact CG2-CD1 3.7Å; T236-L240 HydrophobicContact CG2-CG 4.34Å; T236-L240 WeakPolarHBondContact O-CB 3.34Å; T236-L240 VanDerWaalsContact O-CG 3.23Å; T236-L240 WeakPolarHBondContact O-CG 3.5Å; T236-L240 PolarHBondContact O-N 2.84Å; E237-L240 PolarHBondContact O-N 3.47Å; M238-L240 VanDerWaalsContact C-N 3.33Å; M238-L240 PolarHBondContact O-N 3.47Å
241T73.1Confident90.5Very high47 Ų4750.9 Ų50.929%0.28826%0.257SS..Hα-helixtrans-120.4-1.3-168.764.20000114.5E237 R243E237-T241 HydrophobicContact CG-CG2 4.45Å; E237-T241 PolarHBondContact O-N 3.34Å; E237-T241 PolarHBondContact O-OG1 3.05Å; E237-T241 VanDerWaalsContact OE1-CG2 3.24Å; E237-T241 WeakPolarHBondContact OE1-CG2 3.49Å; T241-R243 PolarHBondContact O-N 2.78Å; T241-R243 WeakPolarHBondContact OG1-CB 3.28Å; T241-R243 WeakPolarHBondContact OG1-CD 3.46Å; T241-R243 WeakPolarHBondContact OG1-CG 3.32Å
242D73.7Confident90.5Very high114 Ų11448.2 Ų48.261%0.6125%0.245SC*.  trans5316-170.7-61.6-34.7000113.8T200 M238T200-D242 PolarHBondContact OG1-OD2 3.36Å; M238-D242 PolarHBondContact O-N 2.89Å
243R84.2Confident90.6Very high108 Ų10851.5 Ų51.541%0.40826%0.26SS..  trans-81.4148178.2-67.9174.6-174.9-99.5-1.2110.6T241 E247 I248T241-R243 PolarHBondContact O-N 2.78Å; T241-R243 WeakPolarHBondContact OG1-CB 3.28Å; T241-R243 WeakPolarHBondContact OG1-CD 3.46Å; T241-R243 WeakPolarHBondContact OG1-CG 3.32Å; R243-E247 HydrophobicContact CB-CB 4.32Å; R243-I248 HydrophobicContact CB-CD1 3.98Å; R243-I248 HydrophobicContact CB-CG1 3.82Å
244T92.1Very high90.6Very high64 Ų6457.3 Ų57.339%0.39328%0.282SS..  trans-69.2157170.661.60000111.3E246 E247 I248T244-E246 PolarHBondContact O-N 2.93Å; T244-E247 WeakPolarHBondContact CB-OE2 3.35Å; T244-E247 PolarHBondContact N-OE2 3.25Å; T244-E247 PolarHBondContact O-N 3.45Å; T244-E247 VanDerWaalsContact O-N 3.17Å; T244-E247 VanDerWaalsContact OG1-CD 3.26Å; T244-E247 WeakPolarHBondContact OG1-CG 3.22Å; T244-E247 PolarHBondContact OG1-N 3.41Å; T244-E247 PolarHBondContact OG1-OE2 3.07Å; T244-I248 PolarHBondContact O-N 2.7Å
245R96.7Very high90.7Very high94 Ų9457.7 Ų57.736%0.35528%0.284SS..Hα-helixtrans-55.2-41.3175.1-175.9175.1-173.4-75.9-4.4111.1E231 I234 M238 I248 I249E231-R245 IonicContact OE1-CZ 3.87Å; E231-R245 IonicContact OE1-NH2 2.96Å; E231-R245 PolarHBondContact OE1-NH2 3.31Å; E231-R245 IonicContact OE2-NE 3.97Å; E231-R245 IonicContact OE2-NH2 2.72Å; I234-R245 HydrophobicContact CG2-CG 3.93Å; M238-R245 HydrophobicContact CE-CB 4.32Å; M238-R245 HydrophobicContact SD-CB 3.84Å; M238-R245 HydrophobicContact SD-CG 4.44Å; R245-I248 PolarHBondContact O-N 3.41Å; R245-I249 HydrophobicContact CG-CD1 3.94Å; R245-I249 WeakPolarHBondContact O-CG1 3.47Å; R245-I249 PolarHBondContact O-N 3.21Å
246E97.4Very high90.9Very high133 Ų13356.9 Ų56.962%0.62128%0.276SS*.Hα-helixtrans-63.4-41.8-179.9-65.770.9-156.300111.8T244 A250T244-E246 PolarHBondContact O-N 2.93Å; E246-A250 WeakPolarHBondContact O-CB 3.44Å; E246-A250 PolarHBondContact O-N 3.33Å
247E93.7Very high91.4Very high94 Ų9462.9 Ų62.944%0.43931%0.305SS..Hα-helixtrans-66.5-41.4176.2-73.2166.3132.800112.2R243 T244 A250 L251R243-E247 HydrophobicContact CB-CB 4.32Å; T244-E247 WeakPolarHBondContact CB-OE2 3.35Å; T244-E247 PolarHBondContact N-OE2 3.25Å; T244-E247 PolarHBondContact O-N 3.45Å; T244-E247 VanDerWaalsContact O-N 3.17Å; T244-E247 VanDerWaalsContact OG1-CD 3.26Å; T244-E247 WeakPolarHBondContact OG1-CG 3.22Å; T244-E247 PolarHBondContact OG1-N 3.41Å; T244-E247 PolarHBondContact OG1-OE2 3.07Å; E247-A250 PolarHBondContact O-N 3.29Å; E247-L251 WeakPolarHBondContact O-CG 3.14Å; E247-L251 PolarHBondContact O-N 3.38Å
248I93.9Very high91.9Very high0 Ų063.7 Ų63.70%031%0.309CS..Hα-helixtrans-63.7-43.9177.5-73.3160.7000110.7F10 E237 M238 R243 T244 R245 L251 M252 F354F10-I248 HydrophobicContact CE2-CG2 4.38Å; F10-I248 HydrophobicContact CZ-CG2 4.22Å; F10-I248 WeakPolarHBondContact CZ-O 3.39Å; E237-I248 HydrophobicContact CB-CD1 3.91Å; E237-I248 HydrophobicContact CB-CG1 4.45Å; E237-I248 HydrophobicContact CB-CG2 4.36Å; E237-I248 HydrophobicContact CG-CD1 3.79Å; E237-I248 HydrophobicContact CG-CG1 3.86Å; E237-I248 HydrophobicContact CG-CG2 4.12Å; M238-I248 HydrophobicContact CB-CD1 4.12Å; M238-I248 HydrophobicContact CG-CD1 3.38Å; R243-I248 HydrophobicContact CB-CD1 3.98Å; R243-I248 HydrophobicContact CB-CG1 3.82Å; T244-I248 PolarHBondContact O-N 2.7Å; R245-I248 PolarHBondContact O-N 3.41Å; I248-L251 PolarHBondContact O-N 3.39Å; I248-M252 PolarHBondContact O-N 3.38Å; I248-F354 HydrophobicContact CG2-CE1 3.61Å; I248-F354 HydrophobicContact CG2-CZ 3.43Å; I248-F354 VanDerWaalsContact CG2-CZ 3.43Å
249I98.4Very high92.5Very high24 Ų2460.2 Ų60.212%0.12329%0.292CS..Hα-helixtrans-64.5-45.2176.3-72.3173.9000111R245 L251 M252 E253R245-I249 HydrophobicContact CG-CD1 3.94Å; R245-I249 WeakPolarHBondContact O-CG1 3.47Å; R245-I249 PolarHBondContact O-N 3.21Å; I249-L251 VanDerWaalsContact C-N 3.25Å; I249-L251 PolarHBondContact O-N 3.26Å; I249-M252 CarbonylContact O-C 3.59Å; I249-M252 WeakPolarHBondContact O-CA 3.35Å; I249-M252 PolarHBondContact O-N 2.99Å; I249-E253 HydrophobicContact CG2-CG 4.07Å; I249-E253 WeakPolarHBondContact CG2-OE1 3.47Å; I249-E253 WeakPolarHBondContact O-CG 2.91Å; I249-E253 PolarHBondContact O-N 3.13Å
250A97.8Very high93.3Very high48 Ų4859.1 Ų59.140%0.39729%0.287SS..Hα-helixtrans-59.6-34.8178.600000112.9E246 E247 R254E246-A250 WeakPolarHBondContact O-CB 3.44Å; E246-A250 PolarHBondContact O-N 3.33Å; E247-A250 PolarHBondContact O-N 3.29Å; A250-R254 PolarHBondContact O-N 3.01Å; A250-R254 VanDerWaalsContact O-N 3.11Å
251L95.8Very high94.3Very high57 Ų5759.6 Ų59.630%0.29830%0.295SS..Hα-helixtrans-64.9-42.8172.9-72.5174.4000112F10 E247 I248 I249 R254 N255F10-L251 HydrophobicContact CD1-CB 4.33Å; F10-L251 HydrophobicContact CD2-CD1 4.14Å; F10-L251 HydrophobicContact CE1-CB 3.58Å; F10-L251 HydrophobicContact CE2-CB 4.12Å; F10-L251 HydrophobicContact CE2-CD1 3.7Å; F10-L251 HydrophobicContact CZ-CB 3.47Å; F10-L251 VanDerWaalsContact CZ-CB 3.47Å; F10-L251 HydrophobicContact CZ-CD1 3.94Å; F10-L251 HydrophobicContact CZ-CG 4.39Å; E247-L251 WeakPolarHBondContact O-CG 3.14Å; E247-L251 PolarHBondContact O-N 3.38Å; I248-L251 PolarHBondContact O-N 3.39Å; I249-L251 VanDerWaalsContact C-N 3.25Å; I249-L251 PolarHBondContact O-N 3.26Å; L251-R254 PolarHBondContact O-N 3.46Å; L251-N255 PolarHBondContact O-N 2.89Å
252M98.5Very high95.6Very high0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-71-35177.8-165.861.477.300112.2V9 F10 I13 I248 I249 N255 L256 I350 L353 F354V9-M252 HydrophobicContact CG1-CE 4.18Å; V9-M252 HydrophobicContact CG2-CE 4.24Å; F10-M252 HydrophobicContact CD1-CE 4.32Å; F10-M252 HydrophobicContact CE1-CB 4.18Å; F10-M252 HydrophobicContact CE1-CE 3.79Å; F10-M252 HydrophobicContact CE1-SD 4.36Å; F10-M252 HydrophobicContact CZ-CE 4.46Å; I13-M252 HydrophobicContact CB-CE 4.1Å; I13-M252 HydrophobicContact CB-SD 4.17Å; I13-M252 HydrophobicContact CG1-CE 4.34Å; I13-M252 HydrophobicContact CG2-CE 4.23Å; I13-M252 HydrophobicContact CG2-SD 3.62Å; I248-M252 PolarHBondContact O-N 3.38Å; I249-M252 CarbonylContact O-C 3.59Å; I249-M252 WeakPolarHBondContact O-CA 3.35Å; I249-M252 PolarHBondContact O-N 2.99Å; M252-N255 WeakPolarHBondContact O-CB 3.47Å; M252-N255 PolarHBondContact O-N 3.29Å; M252-N255 VanDerWaalsContact O-N 3.15Å; M252-N255 HydrophobicContact SD-CB 4.33Å; M252-L256 PolarHBondContact O-N 3.48Å; M252-I350 HydrophobicContact CB-CD1 4.45Å; M252-I350 HydrophobicContact CG-CD1 4.24Å; M252-I350 HydrophobicContact CG-CG2 4.37Å; M252-L353 HydrophobicContact CE-CB 4.36Å; M252-L353 HydrophobicContact CG-CB 3.97Å; M252-L353 HydrophobicContact CG-CD1 3.92Å; M252-L353 HydrophobicContact SD-CB 3.7Å; M252-L353 HydrophobicContact SD-CD1 3.86Å; M252-L353 HydrophobicContact SD-CG 4.41Å; M252-F354 HydrophobicContact CB-CE2 3.69Å; M252-F354 HydrophobicContact CB-CZ 3.7Å; M252-F354 HydrophobicContact CE-CD1 3.88Å; M252-F354 HydrophobicContact CE-CD2 4.36Å; M252-F354 HydrophobicContact CE-CE1 3.73Å; M252-F354 HydrophobicContact CE-CE2 4.22Å; M252-F354 HydrophobicContact CE-CG 4.18Å; M252-F354 HydrophobicContact CE-CZ 3.88Å; M252-F354 HydrophobicContact CG-CD2 4.25Å; M252-F354 HydrophobicContact CG-CE2 3.8Å; M252-F354 HydrophobicContact CG-CZ 4.1Å
253E98.4Very high96.7Very high68 Ų6852.4 Ų52.432%0.31826%0.255SS..Hα-helixtrans-58.5-47.1172.6-75.9175.9173.200110.9I249 N255 L256 E257 H346 I350I249-E253 HydrophobicContact CG2-CG 4.07Å; I249-E253 WeakPolarHBondContact CG2-OE1 3.47Å; I249-E253 WeakPolarHBondContact O-CG 2.91Å; I249-E253 PolarHBondContact O-N 3.13Å; E253-N255 VanDerWaalsContact C-N 3.25Å; E253-N255 PolarHBondContact O-N 3.47Å; E253-L256 WeakPolarHBondContact O-CB 3.32Å; E253-L256 PolarHBondContact O-N 3.32Å; E253-L256 VanDerWaalsContact O-N 3.08Å; E253-E257 WeakPolarHBondContact O-CG 3.35Å; E253-E257 PolarHBondContact O-N 3.25Å; E253-H346 IonicContact OE1-NE2 2.69Å; E253-I350 HydrophobicContact CG-CD1 3.86Å
254R98Very high97.4Very high122 Ų12253.4 Ų53.446%0.4627%0.265SS..Hα-helixtrans-57-40.1174.7-178.3-179.1176.6-168.4-4.9112.1D77 A250 L251 V258D77-R254 IonicContact OD2-CZ 3.84Å; D77-R254 IonicContact OD2-NH2 3.85Å; D77-R254 PolarHBondContact OD2-NH2 2.88Å; A250-R254 PolarHBondContact O-N 3.01Å; A250-R254 VanDerWaalsContact O-N 3.11Å; L251-R254 PolarHBondContact O-N 3.46Å; R254-V258 WeakPolarHBondContact O-CG2 3.31Å; R254-V258 PolarHBondContact O-N 3.37Å
255N98.5Very high97.7Very high12 Ų1254.3 Ų54.36%0.06426%0.264CS..Hα-helixtrans-64.4-45.6176.1-73.2-22.9000111.3I13 V16 L251 M252 E253 V258 M259I13-N255 HydrophobicContact CG2-CB 4.41Å; I13-N255 PolarHBondContact O-ND2 3.05Å; V16-N255 WeakPolarHBondContact CG2-OD1 3.27Å; L251-N255 PolarHBondContact O-N 2.89Å; M252-N255 WeakPolarHBondContact O-CB 3.47Å; M252-N255 PolarHBondContact O-N 3.29Å; M252-N255 VanDerWaalsContact O-N 3.15Å; M252-N255 HydrophobicContact SD-CB 4.33Å; E253-N255 VanDerWaalsContact C-N 3.25Å; E253-N255 PolarHBondContact O-N 3.47Å; N255-V258 PolarHBondContact O-N 3.37Å; N255-M259 HydrophobicContact CB-CE 4.31Å; N255-M259 VanDerWaalsContact O-CG 3.28Å; N255-M259 WeakPolarHBondContact O-CG 3.37Å; N255-M259 PolarHBondContact O-N 2.9Å
256L98.7Very high97.7Very high3 Ų349.9 Ų49.92%0.01625%0.248CC..Hα-helixtrans-60.9-42.9177.8179.259.4000112M252 E253 V258 M259 E260 L335 M336 Q349 I350 L353M252-L256 PolarHBondContact O-N 3.48Å; E253-L256 WeakPolarHBondContact O-CB 3.32Å; E253-L256 PolarHBondContact O-N 3.32Å; E253-L256 VanDerWaalsContact O-N 3.08Å; L256-V258 PolarHBondContact O-N 3.35Å; L256-M259 WeakPolarHBondContact O-CB 3.25Å; L256-M259 PolarHBondContact O-N 2.85Å; L256-E260 HydrophobicContact CD1-CG 4.35Å; L256-E260 WeakPolarHBondContact O-CG 3.43Å; L256-E260 PolarHBondContact O-N 3.39Å; L256-L335 HydrophobicContact CD1-CD2 3.74Å; L256-M336 HydrophobicContact CD1-CE 3.48Å; L256-M336 VanDerWaalsContact CD1-CE 3.48Å; L256-Q349 HydrophobicContact CD2-CB 4.16Å; L256-I350 HydrophobicContact CB-CD1 4.45Å; L256-I350 HydrophobicContact CD2-CD1 3.81Å; L256-L353 HydrophobicContact CB-CD1 3.96Å; L256-L353 HydrophobicContact CD1-CD1 4.18Å
257E98.5Very high97.8Very high127 Ų12744.8 Ų44.859%0.59323%0.225SC*.Hα-helixtrans-59.4-44.4177.2-73.1177.4170.600112.2E253 M259 E260 S261E253-E257 WeakPolarHBondContact O-CG 3.35Å; E253-E257 PolarHBondContact O-N 3.25Å; E257-M259 VanDerWaalsContact C-N 3.34Å; E257-E260 PolarHBondContact O-N 2.84Å; E257-S261 WeakPolarHBondContact O-CB 3.45Å; E257-S261 PolarHBondContact O-N 2.95Å
258V98.6Very high97.9Very high17 Ų1747.2 Ų47.210%0.10324%0.236CC..Hα-helixtrans-66.2-39177.2173.50000111V16 R254 N255 L256 S262 L318 C320V16-V258 HydrophobicContact CG1-CG1 4.29Å; V16-V258 HydrophobicContact CG1-CG2 3.92Å; V16-V258 HydrophobicContact CG2-CB 4.2Å; V16-V258 HydrophobicContact CG2-CG1 4.42Å; V16-V258 HydrophobicContact CG2-CG2 3.87Å; R254-V258 WeakPolarHBondContact O-CG2 3.31Å; R254-V258 PolarHBondContact O-N 3.37Å; N255-V258 PolarHBondContact O-N 3.37Å; L256-V258 PolarHBondContact O-N 3.35Å; V258-S262 WeakPolarHBondContact O-CB 3.38Å; V258-S262 PolarHBondContact O-N 2.99Å; V258-S262 PolarHBondContact O-OG 3.22Å; V258-S262 VanDerWaalsContact O-OG 3.08Å; V258-L318 HydrophobicContact CG1-CD2 4.22Å; V258-L318 HydrophobicContact CG1-CG 4.1Å; V258-L318 HydrophobicContact CG2-CD2 3.94Å; V258-C320 HydrophobicContact CG1-CB 4.44Å
259M98.7Very high97.9Very high2 Ų249 Ų491%0.0125%0.254CS..Hα-helixtrans-59.1-49.2174.5-75.5179.3-159.700111.8I13 N255 L256 E257 S262 I263 C320 T322 P332 L353I13-M259 HydrophobicContact CG2-CE 3.69Å; N255-M259 HydrophobicContact CB-CE 4.31Å; N255-M259 VanDerWaalsContact O-CG 3.28Å; N255-M259 WeakPolarHBondContact O-CG 3.37Å; N255-M259 PolarHBondContact O-N 2.9Å; L256-M259 WeakPolarHBondContact O-CB 3.25Å; L256-M259 PolarHBondContact O-N 2.85Å; E257-M259 VanDerWaalsContact C-N 3.34Å; M259-S262 PolarHBondContact O-OG 3.41Å; M259-I263 WeakPolarHBondContact O-CG1 3.49Å; M259-I263 PolarHBondContact O-N 3.14Å; M259-C320 HydrophobicContact CE-CB 3.83Å; M259-C320 WeakPolarHBondContact CE-SG 3.23Å; M259-C320 HydrophobicContact CG-CB 3.92Å; M259-T322 HydrophobicContact CE-CG2 3.52Å; M259-P332 HydrophobicContact CB-CB 3.61Å; M259-P332 HydrophobicContact CB-CG 4.44Å; M259-P332 HydrophobicContact CG-CB 3.68Å; M259-P332 HydrophobicContact CG-CG 4.13Å; M259-P332 HydrophobicContact SD-CB 3.83Å; M259-P332 HydrophobicContact SD-CG 4.42Å; M259-L353 HydrophobicContact CE-CD2 4.17Å; M259-L353 HydrophobicContact SD-CD1 4.36Å; M259-L353 HydrophobicContact SD-CD2 3.98Å
260E98.4Very high97.7Very high49 Ų4948.3 Ų48.323%0.22925%0.251CS..Hα-helixtrans-62-50.3177.5-70.5-173.3159.500111.6L256 E257 S262 I263 E264 M336 R339L256-E260 HydrophobicContact CD1-CG 4.35Å; L256-E260 WeakPolarHBondContact O-CG 3.43Å; L256-E260 PolarHBondContact O-N 3.39Å; E257-E260 PolarHBondContact O-N 2.84Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 2.77Å; E260-I263 PolarHBondContact O-N 2.84Å; E260-I263 VanDerWaalsContact O-N 3.09Å; E260-E264 PolarHBondContact O-N 3.3Å; E260-M336 HydrophobicContact CG-CE 3.68Å; E260-M336 HydrophobicContact CG-SD 3.77Å; E260-R339 IonicContact OE1-CZ 3.01Å; E260-R339 IonicContact OE1-NH1 3.87Å; E260-R339 PolarHBondContact OE1-NH1 3.48Å
261S98.5Very high97.6Very high68 Ų6849.7 Ų49.748%0.47625%0.254SS..Hα-helixtrans-59.4-40.8-178.7-179.50000112.4E257 I263 E264 E265E257-S261 WeakPolarHBondContact O-CB 3.45Å; E257-S261 PolarHBondContact O-N 2.95Å; S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.16Å; S261-E264 PolarHBondContact O-N 3.3Å; S261-E265 WeakPolarHBondContact O-CB 3.42Å; S261-E265 PolarHBondContact O-N 3.08Å
262S98.4Very high97.4Very high2 Ų247.2 Ų47.21%0.01424%0.242CC..Hα-helixtrans-67.3-32177.666.50000113.1V258 M259 E260 G266 V312V258-S262 WeakPolarHBondContact O-CB 3.38Å; V258-S262 PolarHBondContact O-N 2.99Å; V258-S262 PolarHBondContact O-OG 3.22Å; V258-S262 VanDerWaalsContact O-OG 3.08Å; M259-S262 PolarHBondContact O-OG 3.41Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 2.77Å; S262-G266 PolarHBondContact O-N 3.02Å; S262-V312 VanDerWaalsContact O-CG2 3.32Å; S262-V312 WeakPolarHBondContact O-CG2 3.31Å
263I98.6Very high96.9Very high9 Ų952 Ų525%0.04627%0.271CS..Hα-helixtrans-69.1-49.7173.2-70.8168.3000110.4M259 E260 S261 E265 G266 I267 N305 V309 P332 M336M259-I263 WeakPolarHBondContact O-CG1 3.49Å; M259-I263 PolarHBondContact O-N 3.14Å; E260-I263 PolarHBondContact O-N 2.84Å; E260-I263 VanDerWaalsContact O-N 3.09Å; S261-I263 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.16Å; I263-E265 VanDerWaalsContact C-N 3.31Å; I263-E265 PolarHBondContact O-N 3.08Å; I263-G266 PolarHBondContact O-N 3.28Å; I263-I267 HydrophobicContact CG2-CD1 3.62Å; I263-I267 HydrophobicContact CG2-CG1 4.35Å; I263-I267 VanDerWaalsContact O-CG1 3.28Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 2.95Å; I263-N305 HydrophobicContact CD1-CB 3.91Å; I263-N305 HydrophobicContact CG1-CB 4.1Å; I263-N305 HydrophobicContact CG2-CB 4.14Å; I263-N305 WeakPolarHBondContact CG2-OD1 3.37Å; I263-V309 HydrophobicContact CD1-CG2 4.22Å; I263-V309 HydrophobicContact CG1-CG2 3.39Å; I263-P332 HydrophobicContact CD1-CB 4.02Å; I263-M336 HydrophobicContact CD1-CB 3.93Å; I263-M336 HydrophobicContact CD1-CG 3.42Å; I263-M336 VanDerWaalsContact CD1-CG 3.42Å
264E98.3Very high96.6Very high129 Ų12950.3 Ų50.360%0.60327%0.265SS*.Hα-helixtrans-57.3-46.7-179.7-71-176.7169.100111.3E260 S261 I267 Q268E260-E264 PolarHBondContact O-N 3.3Å; S261-E264 PolarHBondContact O-N 3.3Å; E264-I267 PolarHBondContact O-N 2.64Å; E264-Q268 WeakPolarHBondContact O-CG 3.49Å; E264-Q268 PolarHBondContact O-N 3.32Å
265E98.1Very high96.3Very high83 Ų8354.5 Ų54.539%0.38828%0.281SS..Hα-helixtrans-63.4-47.4178.2-171.7178-153.700111.9S261 I263 I267 Q268 V270 V312 K315S261-E265 WeakPolarHBondContact O-CB 3.42Å; S261-E265 PolarHBondContact O-N 3.08Å; I263-E265 VanDerWaalsContact C-N 3.31Å; I263-E265 PolarHBondContact O-N 3.08Å; E265-I267 VanDerWaalsContact C-N 3.33Å; E265-I267 PolarHBondContact O-N 3.04Å; E265-Q268 WeakPolarHBondContact O-CB 3.48Å; E265-Q268 PolarHBondContact O-N 2.81Å; E265-Q268 VanDerWaalsContact O-N 3.16Å; E265-V270 HydrophobicContact CG-CG2 4.01Å; E265-V312 HydrophobicContact CB-CG2 4.15Å; E265-V312 HydrophobicContact CG-CG2 4.29Å; E265-K315 IonicContact OE1-NZ 2.97Å; E265-K315 PolarHBondContact OE1-NZ 3.4Å; E265-K315 WeakPolarHBondContact OE2-CE 3.33Å; E265-K315 IonicContact OE2-NZ 2.78Å; E265-K315 PolarHBondContact OE2-NZ 2.85Å
266G97.9Very high96Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-61.8-38.6-179.300000113S262 I263 Q268 G269 A281S262-G266 PolarHBondContact O-N 3.02Å; I263-G266 PolarHBondContact O-N 3.28Å; G266-Q268 VanDerWaalsContact C-N 3.27Å; G266-Q268 PolarHBondContact O-N 3.07Å; G266-G269 PolarHBondContact O-N 2.99Å; G266-A281 WeakPolarHBondContact O-CB 3.5Å
267I97.8Very high95.8Very high27 Ų2756 Ų5614%0.13829%0.289CS..Hα-helixtrans-62.3-32.1177.1-69.4168.5000112I263 E264 E265 G269 N285 R304 A308I263-I267 HydrophobicContact CG2-CD1 3.62Å; I263-I267 HydrophobicContact CG2-CG1 4.35Å; I263-I267 VanDerWaalsContact O-CG1 3.28Å; I263-I267 WeakPolarHBondContact O-CG1 3.46Å; I263-I267 PolarHBondContact O-N 2.95Å; E264-I267 PolarHBondContact O-N 2.64Å; E265-I267 VanDerWaalsContact C-N 3.33Å; E265-I267 PolarHBondContact O-N 3.04Å; I267-G269 PolarHBondContact O-N 2.95Å; I267-N285 HydrophobicContact CG2-CB 4.23Å; I267-R304 HydrophobicContact CG1-CG 4.21Å; I267-A308 HydrophobicContact CG1-CB 4.17Å
268Q96.8Very high95.6Very high145 Ų14550.6 Ų50.668%0.67827%0.267SS*.Hα-helixtrans-66-18.9175.8-62.4-51.8-50.100113.2E264 E265 G266E264-Q268 WeakPolarHBondContact O-CG 3.49Å; E264-Q268 PolarHBondContact O-N 3.32Å; E265-Q268 WeakPolarHBondContact O-CB 3.48Å; E265-Q268 PolarHBondContact O-N 2.81Å; E265-Q268 VanDerWaalsContact O-N 3.16Å; G266-Q268 VanDerWaalsContact C-N 3.27Å; G266-Q268 PolarHBondContact O-N 3.07Å
269G94Very high95.5Very high36 Ų3650.5 Ų50.537%0.37127%0.269SS..Hα-helixtrans106.8100.9178.600000111.2G266 I267G266-G269 PolarHBondContact O-N 2.99Å; I267-G269 PolarHBondContact O-N 2.95Å
270V94.7Very high95.5Very high10 Ų1052.2 Ų52.26%0.06128%0.278CS..  trans-110.5145.8176.8170.40000109.8E265 G278 G279 E311 V312 K315E265-V270 HydrophobicContact CG-CG2 4.01Å; V270-G278 CarbonylContact O-C 3.59Å; V270-G278 WeakPolarHBondContact O-CA 3.37Å; V270-G279 PolarHBondContact O-N 3.04Å; V270-E311 HydrophobicContact CB-CB 4.27Å; V270-E311 HydrophobicContact CG1-CB 4.35Å; V270-E311 VanDerWaalsContact CG1-O 3.32Å; V270-E311 WeakPolarHBondContact CG1-O 3.31Å; V270-V312 HydrophobicContact CG2-CG2 4.09Å; V270-K315 HydrophobicContact CG1-CB 4.04Å; V270-K315 HydrophobicContact CG1-CD 3.46Å; V270-K315 VanDerWaalsContact CG1-CD 3.46Å; V270-K315 HydrophobicContact CG1-CG 3.57Å
271T93.7Very high95.5Very high77 Ų7749.9 Ų49.947%0.47227%0.267SS..BIsolated β-bridgetrans-122.3138173.8-56.20000109.2R275 K315T271-R275 HydrophobicContact CG2-CB 3.92Å; T271-R275 HydrophobicContact CG2-CG 3.9Å; T271-K315 WeakPolarHBondContact O-CB 3.34Å
272S92.9Very high95.5Very high5 Ų551.3 Ų51.34%0.03527%0.265CS..  trans-62.9165178.970.40000112.5T274 R275 I276 T277 E426S272-T274 PolarHBondContact O-N 2.97Å; S272-T274 PolarHBondContact OG-OG1 3.2Å; S272-R275 PolarHBondContact O-N 2.95Å; S272-R275 VanDerWaalsContact O-N 3.11Å; S272-R275 PolarHBondContact OG-N 3.14Å; S272-I276 PolarHBondContact OG-N 3.35Å; S272-T277 PolarHBondContact N-O 3.16Å; S272-T277 PolarHBondContact OG-O 3.4Å; S272-E426 WeakPolarHBondContact CB-OE1 3.37Å; S272-E426 WeakPolarHBondContact CB-OE2 3.42Å; S272-E426 PolarHBondContact OG-OE1 2.97Å; S272-E426 PolarHBondContact OG-OE2 3.38Å
273V87.7Confident95.5Very high102 Ų10258.3 Ų58.362%0.61829%0.291SS*.THydrogen-bonded Turntrans-56.2-38.8176.4-176.90000111.1A314 M316V273-A314 PolarHBondContact N-O 3.18Å; V273-M316 HydrophobicContact CG2-CG 3.82Å
274T91Very high95.4Very high32 Ų3259.9 Ų59.920%0.19630%0.299CS..THydrogen-bonded Turntrans-85.5-13.8-177.773.10000113.8S272 I276 L424 E426 V496S272-T274 PolarHBondContact O-N 2.97Å; S272-T274 PolarHBondContact OG-OG1 3.2Å; T274-I276 PolarHBondContact O-N 3.33Å; T274-I276 WeakPolarHBondContact OG1-CG1 3.19Å; T274-I276 PolarHBondContact OG1-N 2.86Å; T274-L424 HydrophobicContact CG2-CD1 3.77Å; T274-L424 HydrophobicContact CG2-CD2 3.93Å; T274-E426 WeakPolarHBondContact CG2-OE1 3.36Å; T274-E426 VanDerWaalsContact OG1-CD 3.26Å; T274-E426 PolarHBondContact OG1-OE1 3.4Å; T274-E426 PolarHBondContact OG1-OE2 3.14Å; T274-V496 HydrophobicContact CG2-CG1 3.94Å; T274-V496 HydrophobicContact CG2-CG2 4.14Å
275R92.1Very high95.4Very high210 Ų21054.8 Ų54.879%0.79228%0.276SS*.SBendtrans62.115.9-173.7-47.9-179.8176-177.1-1.7114.7T271 S272T271-R275 HydrophobicContact CG2-CB 3.92Å; T271-R275 HydrophobicContact CG2-CG 3.9Å; S272-R275 PolarHBondContact O-N 2.95Å; S272-R275 VanDerWaalsContact O-N 3.11Å; S272-R275 PolarHBondContact OG-N 3.14Å
276I93Very high95.4Very high41 Ų4154.8 Ų54.821%0.2128%0.279CS..SBendtrans-71-37.3172.7-67174.3000110.1S272 T274 L424 V427 L492 V496S272-I276 PolarHBondContact OG-N 3.35Å; T274-I276 PolarHBondContact O-N 3.33Å; T274-I276 WeakPolarHBondContact OG1-CG1 3.19Å; T274-I276 PolarHBondContact OG1-N 2.86Å; I276-L424 HydrophobicContact CD1-CD1 3.87Å; I276-V427 HydrophobicContact CG2-CG2 3.82Å; I276-L492 HydrophobicContact CD1-CB 4.15Å; I276-L492 HydrophobicContact CD1-CD2 4.34Å; I276-L492 HydrophobicContact CG1-CD2 4.3Å; I276-L492 HydrophobicContact CG2-CD1 4.25Å; I276-V496 HydrophobicContact CD1-CG2 3.69Å
277T93.6Very high95.4Very high6 Ų659.5 Ų59.54%0.03730%0.297CS..SBendtrans-119.4149.8174.658.10000111.3S272 E426 V427 V430S272-T277 PolarHBondContact N-O 3.16Å; S272-T277 PolarHBondContact OG-O 3.4Å; T277-E426 HydrophobicContact CG2-CB 3.86Å; T277-E426 PolarHBondContact N-OE2 2.83Å; T277-E426 VanDerWaalsContact N-OE2 3.07Å; T277-E426 PolarHBondContact OG1-OE2 2.71Å; T277-V427 HydrophobicContact CG2-CG2 3.58Å; T277-V430 HydrophobicContact CG2-CG2 4.33Å
278G95.1Very high95.4Very high13 Ų1358.9 Ų58.913%0.13429%0.294CS..BIsolated β-bridgetrans158.1146.4177.800000115.4V270 D280 R283 E311V270-G278 CarbonylContact O-C 3.59Å; V270-G278 WeakPolarHBondContact O-CA 3.37Å; G278-D280 PolarHBondContact O-N 3.4Å; G278-R283 PolarHBondContact O-NH1 3.32Å; G278-E311 WeakPolarHBondContact CA-OE1 3.44Å; G278-E311 PolarHBondContact N-OE1 3.46Å
279G96.9Very high95.5Very high14 Ų1458.8 Ų58.814%0.14429%0.294CS..SBendtrans70.46.8176.200000114.4V270 K282 R283 E311V270-G279 PolarHBondContact O-N 3.04Å; G279-K282 PolarHBondContact O-N 3.47Å; G279-R283 WeakPolarHBondContact O-CG 3.28Å; G279-R283 PolarHBondContact O-N 3.36Å; G279-E311 PolarHBondContact N-OE1 3.1Å; G279-E311 VanDerWaalsContact N-OE1 3.09Å; G279-E311 PolarHBondContact N-OE2 3.38Å
280D98Very high95.6Very high38 Ų3859.7 Ų59.720%0.20329%0.294CS..Hα-helixtrans-73.1-31179.5-73.2-38000111.8G278 K282 R283 M284 I307 E311 K431G278-D280 PolarHBondContact O-N 3.4Å; D280-K282 VanDerWaalsContact C-N 3.31Å; D280-K282 PolarHBondContact O-N 3.16Å; D280-R283 PolarHBondContact O-N 3Å; D280-R283 IonicContact OD1-CZ 3.18Å; D280-R283 IonicContact OD1-NH1 3.63Å; D280-R283 PolarHBondContact OD1-NH1 3.39Å; D280-M284 WeakPolarHBondContact O-CB 3.27Å; D280-M284 WeakPolarHBondContact O-CG 3.4Å; D280-M284 PolarHBondContact O-N 2.84Å; D280-I307 HydrophobicContact CB-CG2 3.76Å; D280-E311 WeakPolarHBondContact CB-OE1 3.4Å; D280-E311 PolarHBondContact N-OE1 2.89Å; D280-E311 PolarHBondContact N-OE2 3.31Å; D280-K431 WeakPolarHBondContact OD2-CE 3.19Å; D280-K431 IonicContact OD2-NZ 3.73Å; D280-K431 PolarHBondContact OD2-NZ 2.92Å
281A98.1Very high95.7Very high0 Ų061.7 Ų61.70%032%0.317CS..Hα-helixtrans-60.6-44.3172.800000111.2G266 M284 N285 I307 A308 E311G266-A281 WeakPolarHBondContact O-CB 3.5Å; A281-M284 PolarHBondContact O-N 3.37Å; A281-N285 WeakPolarHBondContact O-CB 3.47Å; A281-N285 PolarHBondContact O-N 2.66Å; A281-I307 HydrophobicContact CB-CB 4.43Å; A281-I307 HydrophobicContact CB-CG2 3.96Å; A281-I307 VanDerWaalsContact N-CG2 3.34Å; A281-A308 HydrophobicContact CB-CB 3.72Å; A281-E311 WeakPolarHBondContact CB-OE2 3.49Å; A281-E311 PolarHBondContact N-OE2 2.93Å
282K98.2Very high95.9Very high99 Ų9965.9 Ų65.943%0.4333%0.328SS..Hα-helixtrans-63.1-47.5174.8-174.4171.8-172.4161.40112.2G279 D280 M284 N285 D286G279-K282 PolarHBondContact O-N 3.47Å; D280-K282 VanDerWaalsContact C-N 3.31Å; D280-K282 PolarHBondContact O-N 3.16Å; K282-M284 VanDerWaalsContact C-N 3.27Å; K282-M284 PolarHBondContact O-N 3.07Å; K282-N285 WeakPolarHBondContact O-CA 3.49Å; K282-N285 WeakPolarHBondContact O-CB 3.44Å; K282-N285 PolarHBondContact O-N 3.17Å; K282-D286 VanDerWaalsContact O-CG 3.27Å; K282-D286 PolarHBondContact O-N 2.95Å
283R98.3Very high96Very high149 Ų14968 Ų6856%0.56234%0.337SS*.Hα-helixtrans-57.4-41175.6-70.4174.5-170.1115.59.7112G278 G279 D280 Y287G278-R283 PolarHBondContact O-NH1 3.32Å; G279-R283 WeakPolarHBondContact O-CG 3.28Å; G279-R283 PolarHBondContact O-N 3.36Å; D280-R283 PolarHBondContact O-N 3Å; D280-R283 IonicContact OD1-CZ 3.18Å; D280-R283 IonicContact OD1-NH1 3.63Å; D280-R283 PolarHBondContact OD1-NH1 3.39Å; R283-Y287 WeakPolarHBondContact O-CB 3.28Å; R283-Y287 PolarHBondContact O-N 3.46Å
284M98Very high96.4Very high41 Ų4172 Ų7220%0.20235%0.351CS..Hα-helixtrans-66.9-39.8175.4-77-55.5-54.800111.8D280 A281 K282 Y287 I288 L300 V303 R304 I307D280-M284 WeakPolarHBondContact O-CB 3.27Å; D280-M284 WeakPolarHBondContact O-CG 3.4Å; D280-M284 PolarHBondContact O-N 2.84Å; A281-M284 PolarHBondContact O-N 3.37Å; K282-M284 VanDerWaalsContact C-N 3.27Å; K282-M284 PolarHBondContact O-N 3.07Å; M284-Y287 HydrophobicContact CE-CD1 4.3Å; M284-Y287 PolarHBondContact O-N 3.3Å; M284-I288 VanDerWaalsContact O-CG1 3.27Å; M284-I288 WeakPolarHBondContact O-CG1 3.39Å; M284-I288 PolarHBondContact O-N 3.08Å; M284-L300 HydrophobicContact CE-CD2 4.08Å; M284-V303 HydrophobicContact CE-CG1 4.07Å; M284-R304 HydrophobicContact CB-CB 4.12Å; M284-R304 HydrophobicContact CB-CG 4.27Å; M284-I307 HydrophobicContact CG-CD1 3.85Å
285N98Very high96.6Very high22 Ų2273.8 Ų73.812%0.11837%0.365CS..Hα-helixtrans-59.9-50.1174.6-167.174.2000111.5I267 A281 K282 Y287 I288 E289 R304I267-N285 HydrophobicContact CG2-CB 4.23Å; A281-N285 WeakPolarHBondContact O-CB 3.47Å; A281-N285 PolarHBondContact O-N 2.66Å; K282-N285 WeakPolarHBondContact O-CA 3.49Å; K282-N285 WeakPolarHBondContact O-CB 3.44Å; K282-N285 PolarHBondContact O-N 3.17Å; N285-Y287 VanDerWaalsContact C-N 3.25Å; N285-Y287 PolarHBondContact O-N 3.28Å; N285-I288 PolarHBondContact O-N 2.94Å; N285-I288 VanDerWaalsContact O-N 3.12Å; N285-E289 PolarHBondContact ND2-OE1 2.74Å; N285-E289 WeakPolarHBondContact O-CG 3.46Å; N285-E289 PolarHBondContact O-N 3.06Å; N285-R304 HydrophobicContact CB-CG 4.34Å; N285-R304 VanDerWaalsContact OD1-CD 3.31Å; N285-R304 WeakPolarHBondContact OD1-CD 3.41Å; N285-R304 PolarHBondContact OD1-NH1 3.02Å
286D98.1Very high96.8Very high84 Ų8465.6 Ų65.645%0.44935%0.346SS..Hα-helixtrans-59-37.7177.3-60.4-15.5000111.5K282 S290K282-D286 VanDerWaalsContact O-CG 3.27Å; K282-D286 PolarHBondContact O-N 2.95Å; D286-S290 PolarHBondContact O-N 3.26Å; D286-S290 VanDerWaalsContact O-N 3.08Å
287Y98.3Very high97Very high99 Ų9968 Ų6839%0.38836%0.356SS..Hα-helixtrans-68-40.7176.4-177.7-120.5000112.7R283 M284 N285 S290 K292 F293R283-Y287 WeakPolarHBondContact O-CB 3.28Å; R283-Y287 PolarHBondContact O-N 3.46Å; M284-Y287 HydrophobicContact CE-CD1 4.3Å; M284-Y287 PolarHBondContact O-N 3.3Å; N285-Y287 VanDerWaalsContact C-N 3.25Å; N285-Y287 PolarHBondContact O-N 3.28Å; Y287-S290 WeakPolarHBondContact O-CB 3.26Å; Y287-S290 PolarHBondContact O-N 2.79Å; Y287-S290 PolarHBondContact O-OG 3Å; Y287-K292 HydrophobicContact CE2-CB 4.36Å; Y287-K292 PolarHBondContact OH-O 3.27Å; Y287-F293 HydrophobicContact CD1-CB 4.41Å; Y287-F293 HydrophobicContact CE1-CB 3.76Å; Y287-F293 WeakPolarHBondContact OH-CA 3.38Å
288I97.8Very high97.3Very high13 Ų1369.2 Ų69.27%0.06736%0.364CS..Hα-helixtrans-62.5-48174.9-67.6167000110.1M284 N285 S290 G291 F293 E297 L300 K301 R304M284-I288 VanDerWaalsContact O-CG1 3.27Å; M284-I288 WeakPolarHBondContact O-CG1 3.39Å; M284-I288 PolarHBondContact O-N 3.08Å; N285-I288 PolarHBondContact O-N 2.94Å; N285-I288 VanDerWaalsContact O-N 3.12Å; I288-S290 PolarHBondContact O-N 3.37Å; I288-G291 PolarHBondContact O-N 3.21Å; I288-F293 HydrophobicContact CG2-CE1 4.42Å; I288-F293 WeakPolarHBondContact O-CE1 3.37Å; I288-E297 HydrophobicContact CG2-CG 4.2Å; I288-L300 HydrophobicContact CD1-CB 3.87Å; I288-L300 WeakPolarHBondContact CD1-O 3.49Å; I288-L300 HydrophobicContact CG1-CB 3.87Å; I288-K301 HydrophobicContact CD1-CG 4.37Å; I288-R304 HydrophobicContact CD1-CB 4.01Å
289E97.5Very high97.4Very high144 Ų14470 Ų7067%0.67337%0.365SS*.Hα-helixtrans-60.6-29.5178-72.3178.5-17600112.8N285 G291N285-E289 PolarHBondContact ND2-OE1 2.74Å; N285-E289 WeakPolarHBondContact O-CG 3.46Å; N285-E289 PolarHBondContact O-N 3.06Å; E289-G291 PolarHBondContact O-N 3.41Å
290S97.6Very high97.5Very high55 Ų5570 Ų7039%0.38536%0.362SS..THydrogen-bonded Turntrans-66-19.5175.684.50000113.9D286 Y287 I288 K292D286-S290 PolarHBondContact O-N 3.26Å; D286-S290 VanDerWaalsContact O-N 3.08Å; Y287-S290 WeakPolarHBondContact O-CB 3.26Å; Y287-S290 PolarHBondContact O-N 2.79Å; Y287-S290 PolarHBondContact O-OG 3Å; I288-S290 PolarHBondContact O-N 3.37Å; S290-K292 PolarHBondContact O-N 2.88Å; S290-K292 VanDerWaalsContact O-N 3.16Å; S290-K292 PolarHBondContact OG-N 3.15Å
291G96.8Very high97.5Very high52 Ų5269.3 Ų69.354%0.53636%0.357SS..THydrogen-bonded Turntrans67.36.3-177.400000115.2I288 E289 F293I288-G291 PolarHBondContact O-N 3.21Å; E289-G291 PolarHBondContact O-N 3.41Å; G291-F293 VanDerWaalsContact C-N 3.26Å; G291-F293 PolarHBondContact O-N 2.92Å
292K96.7Very high97.5Very high164 Ų16469.3 Ų69.371%0.71336%0.357SS*.  trans-88.112.4-176.2-61.9-179.3-176.6173.50113.9Y287 S290Y287-K292 HydrophobicContact CE2-CB 4.36Å; Y287-K292 PolarHBondContact OH-O 3.27Å; S290-K292 PolarHBondContact O-N 2.88Å; S290-K292 VanDerWaalsContact O-N 3.16Å; S290-K292 PolarHBondContact OG-N 3.15Å
293F96.5Very high97.5Very high51 Ų5165.5 Ų65.522%0.22434%0.342CS..  trans-76.5150.9-174.455-105.5000112.9Y287 I288 G291 S295 E297 L300Y287-F293 HydrophobicContact CD1-CB 4.41Å; Y287-F293 HydrophobicContact CE1-CB 3.76Å; Y287-F293 WeakPolarHBondContact OH-CA 3.38Å; I288-F293 HydrophobicContact CG2-CE1 4.42Å; I288-F293 WeakPolarHBondContact O-CE1 3.37Å; G291-F293 VanDerWaalsContact C-N 3.26Å; G291-F293 PolarHBondContact O-N 2.92Å; F293-S295 WeakPolarHBondContact CD2-O 3.29Å; F293-S295 WeakPolarHBondContact CE2-O 3.49Å; F293-E297 HydrophobicContact CE1-CB 4.42Å; F293-E297 HydrophobicContact CE1-CG 4.21Å; F293-E297 HydrophobicContact CE2-CB 4.02Å; F293-E297 HydrophobicContact CZ-CB 3.62Å; F293-E297 HydrophobicContact CZ-CG 3.85Å; F293-L300 HydrophobicContact CB-CD1 3.27Å; F293-L300 HydrophobicContact CD1-CD1 4.17Å; F293-L300 HydrophobicContact CD2-CD1 3.82Å; F293-L300 HydrophobicContact CG-CD1 3.49Å; F293-L300 VanDerWaalsContact CG-CD1 3.49Å
294M95.7Very high97.6Very high185 Ų18560.2 Ų60.291%0.91132%0.322SS*.SBendtrans-95.4-24.5178.8-62.8-177.671.400113.4
295S95.3Very high97.6Very high69 Ų6958.3 Ų58.348%0.48331%0.313SS..SBendtrans-86.7176.4179.5-53.40000111.4F293F293-S295 WeakPolarHBondContact CD2-O 3.29Å; F293-S295 WeakPolarHBondContact CE2-O 3.49Å
296G95.9Very high97.6Very high39 Ų3957.3 Ų57.340%0.40231%0.307SS..  trans-69.5141.2172.400000112.3T298 I299 L300G296-T298 PolarHBondContact O-N 3.08Å; G296-I299 PolarHBondContact O-N 2.82Å; G296-L300 PolarHBondContact O-N 3.19Å
297E97.8Very high97.6Very high90 Ų9053.7 Ų53.742%0.42129%0.288SS..Hα-helixtrans-57.5-45.6-179.1-168.3-175.6152.200112.4I288 F293 I299 L300 K301I288-E297 HydrophobicContact CG2-CG 4.2Å; F293-E297 HydrophobicContact CE1-CB 4.42Å; F293-E297 HydrophobicContact CE1-CG 4.21Å; F293-E297 HydrophobicContact CE2-CB 4.02Å; F293-E297 HydrophobicContact CZ-CB 3.62Å; F293-E297 HydrophobicContact CZ-CG 3.85Å; E297-I299 VanDerWaalsContact C-N 3.32Å; E297-I299 PolarHBondContact O-N 2.83Å; E297-L300 PolarHBondContact O-N 3.42Å; E297-L300 VanDerWaalsContact O-N 3.11Å; E297-K301 PolarHBondContact O-N 3.28Å; E297-K301 WeakPolarHBondContact OE1-CE 3.14Å; E297-K301 IonicContact OE1-NZ 2.72Å; E297-K301 PolarHBondContact OE1-NZ 3.48Å
298T98.1Very high97.7Very high32 Ų3249 Ų4920%0.19627%0.269CS..Hα-helixtrans-57.8-44.2178.1-54.40000111.8G296 L300 K301 A302 A337 K341 F441G296-T298 PolarHBondContact O-N 3.08Å; T298-L300 VanDerWaalsContact C-N 3.31Å; T298-L300 PolarHBondContact O-N 2.68Å; T298-K301 PolarHBondContact O-N 2.73Å; T298-A302 PolarHBondContact O-N 3.48Å; T298-A337 HydrophobicContact CG2-CB 4.28Å; T298-A337 WeakPolarHBondContact O-CB 3.39Å; T298-K341 HydrophobicContact CG2-CB 3.97Å; T298-K341 HydrophobicContact CG2-CG 4.23Å; T298-F441 HydrophobicContact CG2-CD1 4.31Å; T298-F441 HydrophobicContact CG2-CE1 3.54Å; T298-F441 HydrophobicContact CG2-CZ 3.79Å
299I98.1Very high97.7Very high31 Ų3148.4 Ų48.416%0.15927%0.266CS..Hα-helixtrans-63.9-40.3177.8-63.1177.3000110.3G296 E297 A302 V303 F441 I442G296-I299 PolarHBondContact O-N 2.82Å; E297-I299 VanDerWaalsContact C-N 3.32Å; E297-I299 PolarHBondContact O-N 2.83Å; I299-A302 WeakPolarHBondContact O-CB 3.5Å; I299-A302 PolarHBondContact O-N 2.92Å; I299-V303 WeakPolarHBondContact O-CG2 3.34Å; I299-V303 PolarHBondContact O-N 3.4Å; I299-F441 HydrophobicContact CD1-CB 4.38Å; I299-F441 HydrophobicContact CG1-CB 3.94Å; I299-F441 HydrophobicContact CG1-CG 4.19Å; I299-I442 HydrophobicContact CD1-CD1 3.72Å
300L98.2Very high97.7Very high14 Ų1441.6 Ų41.67%0.07323%0.234CC..Hα-helixtrans-71-33.3178.6-68.5174.9000113M284 I288 F293 G296 E297 T298 A302 V303 R304M284-L300 HydrophobicContact CE-CD2 4.08Å; I288-L300 HydrophobicContact CD1-CB 3.87Å; I288-L300 WeakPolarHBondContact CD1-O 3.49Å; I288-L300 HydrophobicContact CG1-CB 3.87Å; F293-L300 HydrophobicContact CB-CD1 3.27Å; F293-L300 HydrophobicContact CD1-CD1 4.17Å; F293-L300 HydrophobicContact CD2-CD1 3.82Å; F293-L300 HydrophobicContact CG-CD1 3.49Å; F293-L300 VanDerWaalsContact CG-CD1 3.49Å; G296-L300 PolarHBondContact O-N 3.19Å; E297-L300 PolarHBondContact O-N 3.42Å; E297-L300 VanDerWaalsContact O-N 3.11Å; T298-L300 VanDerWaalsContact C-N 3.31Å; T298-L300 PolarHBondContact O-N 2.68Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-V303 WeakPolarHBondContact O-CB 3.43Å; L300-V303 PolarHBondContact O-N 3.02Å; L300-R304 WeakPolarHBondContact O-CB 3.29Å; L300-R304 PolarHBondContact O-N 2.84Å
301K98.5Very high97.7Very high22 Ų2239 Ų3910%0.09622%0.216CC..Hα-helixtrans-60.7-42.1169.1-74.6177.9174.9173.80110.5I288 E297 T298 R304 N305 A337 E340I288-K301 HydrophobicContact CD1-CG 4.37Å; E297-K301 PolarHBondContact O-N 3.28Å; E297-K301 WeakPolarHBondContact OE1-CE 3.14Å; E297-K301 IonicContact OE1-NZ 2.72Å; E297-K301 PolarHBondContact OE1-NZ 3.48Å; T298-K301 PolarHBondContact O-N 2.73Å; K301-R304 PolarHBondContact O-N 2.83Å; K301-N305 WeakPolarHBondContact O-CB 3.35Å; K301-N305 PolarHBondContact O-N 3.07Å; K301-N305 PolarHBondContact O-ND2 2.9Å; K301-N305 PolarHBondContact O-OD1 3.26Å; K301-A337 HydrophobicContact CB-CB 4.11Å; K301-E340 IonicContact NZ-OE1 2.56Å; K301-E340 PolarHBondContact NZ-OE1 3.38Å; K301-E340 IonicContact NZ-OE2 2.8Å; K301-E340 PolarHBondContact NZ-OE2 2.85Å
302A98.7Very high97.8Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-63.3-42.9175.300000112.5T298 I299 L300 N305 G306 G333 A337 A437 F441T298-A302 PolarHBondContact O-N 3.48Å; I299-A302 WeakPolarHBondContact O-CB 3.5Å; I299-A302 PolarHBondContact O-N 2.92Å; L300-A302 VanDerWaalsContact C-N 3.3Å; A302-N305 PolarHBondContact O-N 3.18Å; A302-G306 PolarHBondContact O-N 3.17Å; A302-G333 WeakPolarHBondContact CA-O 3.23Å; A302-A337 HydrophobicContact CB-CB 3.73Å; A302-A437 HydrophobicContact CB-CB 4.11Å; A302-F441 HydrophobicContact CB-CD2 3.92Å; A302-F441 HydrophobicContact CB-CE2 3.47Å; A302-F441 VanDerWaalsContact CB-CE2 3.47Å; A302-F441 HydrophobicContact CB-CZ 4.47Å
303V98.7Very high97.8Very high20 Ų2028.7 Ų28.712%0.12116%0.157CC..Hα-helixtrans-58.8-49.6173.5164.90000111.5M284 I299 L300 N305 G306 I307 A434M284-V303 HydrophobicContact CE-CG1 4.07Å; I299-V303 WeakPolarHBondContact O-CG2 3.34Å; I299-V303 PolarHBondContact O-N 3.4Å; L300-V303 WeakPolarHBondContact O-CB 3.43Å; L300-V303 PolarHBondContact O-N 3.02Å; V303-N305 VanDerWaalsContact C-N 3.35Å; V303-N305 PolarHBondContact O-N 3.14Å; V303-G306 PolarHBondContact O-N 2.89Å; V303-I307 HydrophobicContact CG1-CD1 4.04Å; V303-I307 WeakPolarHBondContact O-CG1 3.45Å; V303-I307 PolarHBondContact O-N 3.36Å; V303-A434 HydrophobicContact CB-CB 4.34Å; V303-A434 HydrophobicContact CG1-CB 3.76Å; V303-A434 HydrophobicContact CG2-CB 4.46Å
304R98.6Very high97.8Very high38 Ų3826.6 Ų26.614%0.14315%0.149CC..Hα-helixtrans-56.9-49.1176.9176.4-158.465.1-172.9-0.9110.6I267 M284 N285 I288 L300 K301 I307 A308I267-R304 HydrophobicContact CG1-CG 4.21Å; M284-R304 HydrophobicContact CB-CB 4.12Å; M284-R304 HydrophobicContact CB-CG 4.27Å; N285-R304 HydrophobicContact CB-CG 4.34Å; N285-R304 VanDerWaalsContact OD1-CD 3.31Å; N285-R304 WeakPolarHBondContact OD1-CD 3.41Å; N285-R304 PolarHBondContact OD1-NH1 3.02Å; I288-R304 HydrophobicContact CD1-CB 4.01Å; L300-R304 WeakPolarHBondContact O-CB 3.29Å; L300-R304 PolarHBondContact O-N 2.84Å; K301-R304 PolarHBondContact O-N 2.83Å; R304-I307 PolarHBondContact O-N 3.29Å; R304-A308 WeakPolarHBondContact O-CB 3.39Å; R304-A308 PolarHBondContact O-N 3.39Å
305N98.7Very high97.8Very high1 Ų120.5 Ų20.51%0.00512%0.117CC..Hα-helixtrans-63.9-42.9-178.7-63.8-10000111.4I263 K301 A302 V303 I307 A308 V309 G333 M336I263-N305 HydrophobicContact CD1-CB 3.91Å; I263-N305 HydrophobicContact CG1-CB 4.1Å; I263-N305 HydrophobicContact CG2-CB 4.14Å; I263-N305 WeakPolarHBondContact CG2-OD1 3.37Å; K301-N305 WeakPolarHBondContact O-CB 3.35Å; K301-N305 PolarHBondContact O-N 3.07Å; K301-N305 PolarHBondContact O-ND2 2.9Å; K301-N305 PolarHBondContact O-OD1 3.26Å; A302-N305 PolarHBondContact O-N 3.18Å; V303-N305 VanDerWaalsContact C-N 3.35Å; V303-N305 PolarHBondContact O-N 3.14Å; N305-I307 VanDerWaalsContact C-N 3.3Å; N305-I307 PolarHBondContact O-N 2.95Å; N305-A308 WeakPolarHBondContact O-CB 3.06Å; N305-A308 PolarHBondContact O-N 3.41Å; N305-A308 VanDerWaalsContact O-N 3.1Å; N305-V309 WeakPolarHBondContact O-CG2 3.41Å; N305-V309 PolarHBondContact O-N 3.07Å; N305-G333 VanDerWaalsContact CB-CA 3.47Å; N305-G333 PolarHBondContact ND2-O 2.72Å; N305-M336 WeakPolarHBondContact ND2-CB 3.43Å
306G98.6Very high97.7Very high0 Ų019.2 Ų19.20%010%0.104CC..Hα-helixtrans-63.8-34177.200000113.6A302 V303 N310 G329 N433A302-G306 PolarHBondContact O-N 3.17Å; V303-G306 PolarHBondContact O-N 2.89Å; G306-N310 PolarHBondContact O-N 3.26Å; G306-G329 VanDerWaalsContact CA-O 3.22Å; G306-G329 WeakPolarHBondContact CA-O 3.4Å; G306-N433 WeakPolarHBondContact O-CB 3.28Å
307I98.6Very high97.7Very high9 Ų917.9 Ų17.95%0.0469%0.09CC..Hα-helixtrans-68-45.9170-66.8163.9000110.3D280 A281 M284 V303 R304 N305 V309 N310 E311 V430 A434D280-I307 HydrophobicContact CB-CG2 3.76Å; A281-I307 HydrophobicContact CB-CB 4.43Å; A281-I307 HydrophobicContact CB-CG2 3.96Å; A281-I307 VanDerWaalsContact N-CG2 3.34Å; M284-I307 HydrophobicContact CG-CD1 3.85Å; V303-I307 HydrophobicContact CG1-CD1 4.04Å; V303-I307 WeakPolarHBondContact O-CG1 3.45Å; V303-I307 PolarHBondContact O-N 3.36Å; R304-I307 PolarHBondContact O-N 3.29Å; N305-I307 VanDerWaalsContact C-N 3.3Å; N305-I307 PolarHBondContact O-N 2.95Å; I307-V309 PolarHBondContact O-N 3.24Å; I307-N310 PolarHBondContact O-N 3.09Å; I307-E311 HydrophobicContact CG2-CG 4.08Å; I307-E311 WeakPolarHBondContact O-CB 3.38Å; I307-E311 WeakPolarHBondContact O-CG 3.5Å; I307-E311 PolarHBondContact O-N 3.44Å; I307-V430 HydrophobicContact CB-CG1 4.26Å; I307-V430 HydrophobicContact CG1-CG1 4.25Å; I307-V430 HydrophobicContact CG2-CG1 3.76Å; I307-A434 HydrophobicContact CD1-CB 4Å; I307-A434 HydrophobicContact CG1-CB 3.76Å
308A98.5Very high97.7Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-55.6-52.9-177.400000112I267 A281 R304 N305 N310 E311 V312I267-A308 HydrophobicContact CG1-CB 4.17Å; A281-A308 HydrophobicContact CB-CB 3.72Å; R304-A308 WeakPolarHBondContact O-CB 3.39Å; R304-A308 PolarHBondContact O-N 3.39Å; N305-A308 WeakPolarHBondContact O-CB 3.06Å; N305-A308 PolarHBondContact O-N 3.41Å; N305-A308 VanDerWaalsContact O-N 3.1Å; A308-N310 VanDerWaalsContact C-N 3.35Å; A308-N310 PolarHBondContact O-N 3.41Å; A308-E311 PolarHBondContact O-N 3.34Å; A308-V312 PolarHBondContact O-N 2.82Å
309V98.6Very high97.7Very high1 Ų115.5 Ų15.51%0.0068%0.079CC..Hα-helixtrans-60.8-44.4179179.50000111.2I263 N305 I307 E311 V312 N313 V319 A328 P332I263-V309 HydrophobicContact CD1-CG2 4.22Å; I263-V309 HydrophobicContact CG1-CG2 3.39Å; N305-V309 WeakPolarHBondContact O-CG2 3.41Å; N305-V309 PolarHBondContact O-N 3.07Å; I307-V309 PolarHBondContact O-N 3.24Å; V309-E311 VanDerWaalsContact C-N 3.34Å; V309-E311 PolarHBondContact O-N 3.17Å; V309-V312 WeakPolarHBondContact O-CB 3.26Å; V309-V312 PolarHBondContact O-N 3.29Å; V309-N313 PolarHBondContact O-N 3.18Å; V309-V319 HydrophobicContact CG1-CB 4.48Å; V309-V319 HydrophobicContact CG1-CG1 4.01Å; V309-A328 HydrophobicContact CG1-CB 4.1Å; V309-P332 HydrophobicContact CG2-CG 4.07Å
310N97.7Very high97.7Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-76.7-21.4-176.6-155.262.2000113.2G306 I307 A308 N313 A314 V425 V430 N433G306-N310 PolarHBondContact O-N 3.26Å; I307-N310 PolarHBondContact O-N 3.09Å; A308-N310 VanDerWaalsContact C-N 3.35Å; A308-N310 PolarHBondContact O-N 3.41Å; N310-N313 PolarHBondContact OD1-ND2 3.01Å; N310-A314 VanDerWaalsContact O-CB 3.25Å; N310-A314 WeakPolarHBondContact O-CB 3.38Å; N310-A314 PolarHBondContact O-N 3.24Å; N310-V425 PolarHBondContact ND2-O 3.42Å; N310-V430 HydrophobicContact CB-CG2 4.22Å; N310-V430 VanDerWaalsContact ND2-CA 3.27Å; N310-V430 WeakPolarHBondContact ND2-CA 3.5Å; N310-V430 WeakPolarHBondContact ND2-CG2 3.42Å; N310-V430 PolarHBondContact ND2-N 3.24Å; N310-V430 VanDerWaalsContact ND2-N 3.18Å; N310-N433 HydrophobicContact CB-CB 4.45Å
311E97.9Very high97.7Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-69.7-38166.1-73.8-173.715100111.2V270 G278 G279 D280 A281 I307 A308 V309 A314 K315 V430V270-E311 HydrophobicContact CB-CB 4.27Å; V270-E311 HydrophobicContact CG1-CB 4.35Å; V270-E311 VanDerWaalsContact CG1-O 3.32Å; V270-E311 WeakPolarHBondContact CG1-O 3.31Å; G278-E311 WeakPolarHBondContact CA-OE1 3.44Å; G278-E311 PolarHBondContact N-OE1 3.46Å; G279-E311 PolarHBondContact N-OE1 3.1Å; G279-E311 VanDerWaalsContact N-OE1 3.09Å; G279-E311 PolarHBondContact N-OE2 3.38Å; D280-E311 WeakPolarHBondContact CB-OE1 3.4Å; D280-E311 PolarHBondContact N-OE1 2.89Å; D280-E311 PolarHBondContact N-OE2 3.31Å; A281-E311 WeakPolarHBondContact CB-OE2 3.49Å; A281-E311 PolarHBondContact N-OE2 2.93Å; I307-E311 HydrophobicContact CG2-CG 4.08Å; I307-E311 WeakPolarHBondContact O-CB 3.38Å; I307-E311 WeakPolarHBondContact O-CG 3.5Å; I307-E311 PolarHBondContact O-N 3.44Å; A308-E311 PolarHBondContact O-N 3.34Å; V309-E311 VanDerWaalsContact C-N 3.34Å; V309-E311 PolarHBondContact O-N 3.17Å; E311-A314 PolarHBondContact O-N 3.12Å; E311-K315 PolarHBondContact O-N 3.02Å; E311-V430 HydrophobicContact CG-CG1 4.17Å
312V98.1Very high97.6Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-63.3-45.1170.6173.10000111.2S262 E265 V270 A308 V309 A314 K315 G317 V319S262-V312 VanDerWaalsContact O-CG2 3.32Å; S262-V312 WeakPolarHBondContact O-CG2 3.31Å; E265-V312 HydrophobicContact CB-CG2 4.15Å; E265-V312 HydrophobicContact CG-CG2 4.29Å; V270-V312 HydrophobicContact CG2-CG2 4.09Å; A308-V312 PolarHBondContact O-N 2.82Å; V309-V312 WeakPolarHBondContact O-CB 3.26Å; V309-V312 PolarHBondContact O-N 3.29Å; V312-A314 PolarHBondContact O-N 3.12Å; V312-K315 WeakPolarHBondContact O-CG 3.46Å; V312-K315 PolarHBondContact O-N 2.66Å; V312-G317 VanDerWaalsContact O-CA 3.32Å; V312-G317 WeakPolarHBondContact O-CA 3.14Å; V312-G317 PolarHBondContact O-N 3.35Å; V312-V319 HydrophobicContact CB-CG1 4.44Å; V312-V319 HydrophobicContact CG1-CG1 4.04Å
313N97.4Very high97.4Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-56.3-48.4174.3-172.436.5000111.7G19 P20 V309 N310 K315 M316 V319 A325G19-N313 WeakPolarHBondContact CA-OD1 3.47Å; P20-N313 VanDerWaalsContact CA-OD1 3.26Å; P20-N313 WeakPolarHBondContact CA-OD1 3.43Å; P20-N313 PolarHBondContact O-ND2 3.26Å; P20-N313 PolarHBondContact O-OD1 3.15Å; V309-N313 PolarHBondContact O-N 3.18Å; N310-N313 PolarHBondContact OD1-ND2 3.01Å; N313-K315 PolarHBondContact O-N 3.5Å; N313-M316 PolarHBondContact O-N 3.12Å; N313-V319 HydrophobicContact CB-CG1 3.98Å; N313-V319 HydrophobicContact CB-CG2 4.3Å; N313-A325 PolarHBondContact ND2-O 3.23Å; N313-A325 VanDerWaalsContact ND2-O 3.09Å
314A95.8Very high97.3Very high8 Ų811.5 Ų11.57%0.0666%0.059CC..Hα-helixtrans-65.5-16.7-178.100000115.2V273 N310 E311 V312 E426V273-A314 PolarHBondContact N-O 3.18Å; N310-A314 VanDerWaalsContact O-CB 3.25Å; N310-A314 WeakPolarHBondContact O-CB 3.38Å; N310-A314 PolarHBondContact O-N 3.24Å; E311-A314 PolarHBondContact O-N 3.12Å; V312-A314 PolarHBondContact O-N 3.12Å; A314-E426 HydrophobicContact CB-CG 3.8Å
315K95Very high97.1Very high57 Ų579.7 Ų9.725%0.2485%0.052CC..THydrogen-bonded Turntrans-96.612.8173.368.1148.2175.4178.80113.6E265 V270 T271 E311 V312 N313 G317E265-K315 IonicContact OE1-NZ 2.97Å; E265-K315 PolarHBondContact OE1-NZ 3.4Å; E265-K315 WeakPolarHBondContact OE2-CE 3.33Å; E265-K315 IonicContact OE2-NZ 2.78Å; E265-K315 PolarHBondContact OE2-NZ 2.85Å; V270-K315 HydrophobicContact CG1-CB 4.04Å; V270-K315 HydrophobicContact CG1-CD 3.46Å; V270-K315 VanDerWaalsContact CG1-CD 3.46Å; V270-K315 HydrophobicContact CG1-CG 3.57Å; T271-K315 WeakPolarHBondContact O-CB 3.34Å; E311-K315 PolarHBondContact O-N 3.02Å; V312-K315 WeakPolarHBondContact O-CG 3.46Å; V312-K315 PolarHBondContact O-N 2.66Å; N313-K315 PolarHBondContact O-N 3.5Å; K315-G317 VanDerWaalsContact C-N 3.29Å
316M94.4Very high96.9Very high41 Ų419.9 Ų9.920%0.2025%0.054CC..THydrogen-bonded Turntrans6727.1-171.5-49.8-67.9-61.800113.5G19 P20 I65 V273 N313G19-M316 WeakPolarHBondContact O-CE 3.47Å; P20-M316 VanDerWaalsContact CD-SD 3.59Å; P20-M316 HydrophobicContact CG-SD 4.49Å; I65-M316 HydrophobicContact CD1-CE 3.29Å; I65-M316 HydrophobicContact CD1-SD 4.38Å; V273-M316 HydrophobicContact CG2-CG 3.82Å; N313-M316 PolarHBondContact O-N 3.12Å
317G96.3Very high96.9Very high11 Ų119.9 Ų9.911%0.1135%0.054CC..  trans-75.9167.6175.900000112.6V18 G19 V312 K315V18-G317 WeakPolarHBondContact CA-O 3.29Å; G19-G317 PolarHBondContact N-O 2.86Å; V312-G317 VanDerWaalsContact O-CA 3.32Å; V312-G317 WeakPolarHBondContact O-CA 3.14Å; V312-G317 PolarHBondContact O-N 3.35Å; K315-G317 VanDerWaalsContact C-N 3.29Å
318L97.5Very high96.8Very high72 Ų729.5 Ų9.538%0.3775%0.052SC..EExtended strand (participates in β ladder)trans-75.7125.2176.8-162.274.6000110.2V16 M17 V18 D77 V258V16-L318 HydrophobicContact CG1-CD1 3.68Å; V16-L318 HydrophobicContact CG1-CD2 3.86Å; V16-L318 HydrophobicContact CG1-CG 3.74Å; M17-L318 WeakPolarHBondContact O-CA 3.48Å; V18-L318 HydrophobicContact CG1-CD1 4.47Å; D77-L318 HydrophobicContact CB-CD1 3.83Å; V258-L318 HydrophobicContact CG1-CD2 4.22Å; V258-L318 HydrophobicContact CG1-CG 4.1Å; V258-L318 HydrophobicContact CG2-CD2 3.94Å
319V98.1Very high96.8Very high0 Ų09.5 Ų9.50%05%0.052CC..EExtended strand (participates in β ladder)trans-138.5159.4177.2-64.60000110.6V16 M17 V309 V312 N313 A328V16-V319 WeakPolarHBondContact CA-O 3.3Å; M17-V319 HydrophobicContact CG-CG2 4.46Å; M17-V319 PolarHBondContact N-O 3.47Å; M17-V319 PolarHBondContact O-N 3.32Å; M17-V319 VanDerWaalsContact O-O 3.14Å; V309-V319 HydrophobicContact CG1-CB 4.48Å; V309-V319 HydrophobicContact CG1-CG1 4.01Å; V312-V319 HydrophobicContact CB-CG1 4.44Å; V312-V319 HydrophobicContact CG1-CG1 4.04Å; N313-V319 HydrophobicContact CB-CG1 3.98Å; N313-V319 HydrophobicContact CB-CG2 4.3Å; V319-A328 HydrophobicContact CB-CB 4.44Å; V319-A328 HydrophobicContact CG2-CB 4.47Å
320C98.1Very high96.8Very high2 Ų29.4 Ų9.41%0.0145%0.052CC..EExtended strand (participates in β ladder)trans-100.2119.7169.4-174.40000109.1V16 V258 M259 A328V16-C320 HydrophobicContact CG2-CB 4.43Å; V258-C320 HydrophobicContact CG1-CB 4.44Å; M259-C320 HydrophobicContact CE-CB 3.83Å; M259-C320 WeakPolarHBondContact CE-SG 3.23Å; M259-C320 HydrophobicContact CG-CB 3.92Å; C320-A328 WeakPolarHBondContact O-CB 3.22Å
321A97Very high96.9Very high0 Ų09.4 Ų9.40%05%0.052CC..  trans-67.6133.2178.400000111.6G14 P15 M17 A325G14-A321 PolarHBondContact N-O 3.33Å; G14-A321 WeakPolarHBondContact O-CB 3.21Å; P15-A321 PolarHBondContact O-N 3.34Å; P15-A321 VanDerWaalsContact O-N 3.14Å; M17-A321 HydrophobicContact SD-CB 4.37Å; A321-A325 HydrophobicContact CB-CB 4.48Å
322T97Very high96.9Very high0 Ų09.4 Ų9.40%05%0.052CC..SBendtrans-147.289.6-176.150.60000112.6I13 M259 T324 S327 A328 L331 A383I13-T322 HydrophobicContact CD1-CG2 4.12Å; I13-T322 HydrophobicContact CG2-CG2 4.21Å; M259-T322 HydrophobicContact CE-CG2 3.52Å; T322-T324 VanDerWaalsContact C-N 3.26Å; T322-T324 PolarHBondContact N-O 3.03Å; T322-S327 PolarHBondContact O-OG 2.88Å; T322-A328 WeakPolarHBondContact OG1-CA 3.45Å; T322-A328 PolarHBondContact OG1-O 3.2Å; T322-L331 HydrophobicContact CG2-CB 4.18Å; T322-L331 HydrophobicContact CG2-CD2 3.77Å; T322-A383 WeakPolarHBondContact O-CB 3.24Å
323P94.9Very high97Very high0 Ų09.4 Ų9.40%05%0.052CC..SBendcis-80.4-4.4-18.736.9-34.1000113.1I12 S327 I369 S382 M386I12-P323 HydrophobicContact CG2-CB 4.1Å; I12-P323 VanDerWaalsContact O-CA 3.22Å; I12-P323 WeakPolarHBondContact O-CA 3.28Å; P323-S327 WeakPolarHBondContact CD-OG 3.36Å; P323-I369 HydrophobicContact CB-CB 4.4Å; P323-I369 HydrophobicContact CB-CD1 3.95Å; P323-I369 HydrophobicContact CB-CG2 4.31Å; P323-I369 HydrophobicContact CG-CB 3.94Å; P323-I369 HydrophobicContact CG-CD1 4.42Å; P323-I369 HydrophobicContact CG-CG2 3.8Å; P323-S382 WeakPolarHBondContact CG-OG 3.32Å; P323-M386 HydrophobicContact CB-CE 4.03Å; P323-M386 HydrophobicContact CG-CE 3.7Å
324T95.8Very high97Very high2 Ų29.4 Ų9.41%0.0125%0.052CC..  trans-120.9161.5171.277.50000111.2S22 T322 G326 S327 A328 I369 E379S22-T324 WeakPolarHBondContact OG-CA 3.49Å; S22-T324 WeakPolarHBondContact OG-CB 3.35Å; T322-T324 VanDerWaalsContact C-N 3.26Å; T322-T324 PolarHBondContact N-O 3.03Å; T324-G326 PolarHBondContact O-N 3.45Å; T324-G326 PolarHBondContact OG1-N 3.06Å; T324-S327 PolarHBondContact N-OG 3.47Å; T324-S327 CarbonylContact O-C 3.49Å; T324-S327 PolarHBondContact O-N 3.03Å; T324-S327 PolarHBondContact O-OG 2.61Å; T324-S327 PolarHBondContact OG1-N 3.03Å; T324-S327 PolarHBondContact OG1-OG 2.94Å; T324-A328 PolarHBondContact O-N 2.9Å; T324-A328 VanDerWaalsContact O-N 3.07Å; T324-I369 WeakPolarHBondContact CG2-O 3.37Å; T324-E379 WeakPolarHBondContact CB-OE1 3.43Å; T324-E379 HydrophobicContact CG2-CB 4.4Å; T324-E379 HydrophobicContact CG2-CG 3.87Å; T324-E379 PolarHBondContact OG1-OE1 2.88Å
325A95.3Very high97.2Very high0 Ų09 Ų90%05%0.048CC..G310 helixtrans-63.9-32.3173.600000111.2M17 P20 S22 N313 A321 S327 A328M17-A325 HydrophobicContact CE-CB 4.14Å; M17-A325 HydrophobicContact SD-CB 3.9Å; P20-A325 WeakPolarHBondContact O-CB 3.38Å; S22-A325 VanDerWaalsContact N-CB 3.3Å; S22-A325 PolarHBondContact OG-N 3.49Å; N313-A325 PolarHBondContact ND2-O 3.23Å; N313-A325 VanDerWaalsContact ND2-O 3.09Å; A321-A325 HydrophobicContact CB-CB 4.48Å; A325-S327 PolarHBondContact O-N 2.9Å; A325-A328 VanDerWaalsContact O-CB 3.25Å; A325-A328 WeakPolarHBondContact O-CB 3.41Å; A325-A328 PolarHBondContact O-N 2.66Å
326G95.1Very high97.3Very high5 Ų57.6 Ų7.65%0.0524%0.043CC..G310 helixtrans-64.9-21.7176.600000114.2T324 N433T324-G326 PolarHBondContact O-N 3.45Å; T324-G326 PolarHBondContact OG1-N 3.06Å; G326-N433 PolarHBondContact O-ND2 2.78Å
327S97.3Very high97.5Very high0 Ų05.7 Ų5.70%03%0.034CC..G310 helixtrans-112.811.2174.665.50000113.8T322 P323 T324 A325 G329 V330 N433T322-S327 PolarHBondContact O-OG 2.88Å; P323-S327 WeakPolarHBondContact CD-OG 3.36Å; T324-S327 PolarHBondContact N-OG 3.47Å; T324-S327 CarbonylContact O-C 3.49Å; T324-S327 PolarHBondContact O-N 3.03Å; T324-S327 PolarHBondContact O-OG 2.61Å; T324-S327 PolarHBondContact OG1-N 3.03Å; T324-S327 PolarHBondContact OG1-OG 2.94Å; A325-S327 PolarHBondContact O-N 2.9Å; S327-G329 PolarHBondContact O-N 3.26Å; S327-V330 PolarHBondContact O-N 2.9Å; S327-N433 VanDerWaalsContact CA-OD1 3.27Å; S327-N433 WeakPolarHBondContact CA-OD1 3.3Å; S327-N433 PolarHBondContact O-OD1 2.96Å; S327-N433 VanDerWaalsContact O-OD1 3.13Å
328A97.8Very high97.6Very high0 Ų05.2 Ų5.20%03%0.029CC..THydrogen-bonded Turntrans-59.3-20-170.900000114.3V309 V319 C320 T322 T324 A325 P332V309-A328 HydrophobicContact CG1-CB 4.1Å; V319-A328 HydrophobicContact CB-CB 4.44Å; V319-A328 HydrophobicContact CG2-CB 4.47Å; C320-A328 WeakPolarHBondContact O-CB 3.22Å; T322-A328 WeakPolarHBondContact OG1-CA 3.45Å; T322-A328 PolarHBondContact OG1-O 3.2Å; T324-A328 PolarHBondContact O-N 2.9Å; T324-A328 VanDerWaalsContact O-N 3.07Å; A325-A328 VanDerWaalsContact O-CB 3.25Å; A325-A328 WeakPolarHBondContact O-CB 3.41Å; A325-A328 PolarHBondContact O-N 2.66Å; A328-P332 WeakPolarHBondContact O-CD 3.31Å; A328-P332 WeakPolarHBondContact O-CG 3.27Å
329G98.5Very high97.7Very high0 Ų06.6 Ų6.60%03%0.029CC..THydrogen-bonded Turntrans-83.6-14.5178.700000114.7G306 S327 G333 N433G306-G329 VanDerWaalsContact CA-O 3.22Å; G306-G329 WeakPolarHBondContact CA-O 3.4Å; S327-G329 PolarHBondContact O-N 3.26Å; G329-G333 WeakPolarHBondContact O-CA 3.02Å; G329-G333 PolarHBondContact O-N 3.02Å; G329-G333 VanDerWaalsContact O-N 3.07Å; G329-N433 WeakPolarHBondContact CA-OD1 3.4Å; G329-N433 PolarHBondContact N-OD1 2.92Å
330V98.9Very high97.4Very high0 Ų012.1 Ų12.10%06%0.055CC..Hα-helixtrans-70.5-62-173.6-179.20000111.1S327 G333 V334 V380 A383 N433S327-V330 PolarHBondContact O-N 2.9Å; V330-G333 PolarHBondContact O-N 3.23Å; V330-V334 WeakPolarHBondContact O-CG2 3Å; V330-V334 PolarHBondContact O-N 3.11Å; V330-V380 HydrophobicContact CG2-CG1 4.23Å; V330-A383 HydrophobicContact CB-CB 3.78Å; V330-A383 HydrophobicContact CG1-CB 4.06Å; V330-A383 HydrophobicContact CG2-CB 4.07Å; V330-N433 HydrophobicContact CG2-CB 4.31Å; V330-N433 PolarHBondContact N-OD1 3.36Å
331L98.9Very high97.3Very high0 Ų018.7 Ų18.70%08%0.083CC..Hα-helixtrans-60.2-52.6-176.6-174.468.4000113.5I13 T322 G333 V334 L335 F352 L353 A356 S387I13-L331 HydrophobicContact CD1-CD2 3.41Å; I13-L331 VanDerWaalsContact CD1-CD2 3.41Å; T322-L331 HydrophobicContact CG2-CB 4.18Å; T322-L331 HydrophobicContact CG2-CD2 3.77Å; L331-G333 VanDerWaalsContact C-N 3.25Å; L331-G333 PolarHBondContact O-N 2.81Å; L331-V334 PolarHBondContact O-N 3.26Å; L331-L335 WeakPolarHBondContact O-CB 3.26Å; L331-L335 PolarHBondContact O-N 3Å; L331-F352 HydrophobicContact CD1-CD1 4.33Å; L331-F352 HydrophobicContact CD1-CE1 3.61Å; L331-L353 HydrophobicContact CD2-CD2 3.64Å; L331-L353 HydrophobicContact CG-CD2 4.03Å; L331-A356 HydrophobicContact CD1-CB 3.52Å; L331-A356 HydrophobicContact CD2-CB 4.01Å; L331-A356 HydrophobicContact CG-CB 4.45Å; L331-S387 VanDerWaalsContact CA-OG 3.31Å; L331-S387 WeakPolarHBondContact CA-OG 3.28Å; L331-S387 VanDerWaalsContact CD1-OG 3.25Å; L331-S387 WeakPolarHBondContact CD1-OG 3.34Å
332P98.6Very high97.3Very high0 Ų021 Ų210%010%0.095CC..Hα-helixtrans-66.1-31.8177.327.9-37.1000112.3M259 I263 V309 A328 V334 L335 M336M259-P332 HydrophobicContact CB-CB 3.61Å; M259-P332 HydrophobicContact CB-CG 4.44Å; M259-P332 HydrophobicContact CG-CB 3.68Å; M259-P332 HydrophobicContact CG-CG 4.13Å; M259-P332 HydrophobicContact SD-CB 3.83Å; M259-P332 HydrophobicContact SD-CG 4.42Å; I263-P332 HydrophobicContact CD1-CB 4.02Å; V309-P332 HydrophobicContact CG2-CG 4.07Å; A328-P332 WeakPolarHBondContact O-CD 3.31Å; A328-P332 WeakPolarHBondContact O-CG 3.27Å; P332-V334 VanDerWaalsContact C-N 3.31Å; P332-V334 PolarHBondContact O-N 3.38Å; P332-L335 PolarHBondContact O-N 2.79Å; P332-M336 WeakPolarHBondContact O-CB 3.49Å; P332-M336 WeakPolarHBondContact O-CG 3.49Å; P332-M336 PolarHBondContact O-N 2.9Å
333G98.7Very high97.4Very high0 Ų027.4 Ų27.40%013%0.129CC..Hα-helixtrans-60.9-42.8174.900000112.3A302 N305 G329 V330 L331 A337A302-G333 WeakPolarHBondContact CA-O 3.23Å; N305-G333 VanDerWaalsContact CB-CA 3.47Å; N305-G333 PolarHBondContact ND2-O 2.72Å; G329-G333 WeakPolarHBondContact O-CA 3.02Å; G329-G333 PolarHBondContact O-N 3.02Å; G329-G333 VanDerWaalsContact O-N 3.07Å; V330-G333 PolarHBondContact O-N 3.23Å; L331-G333 VanDerWaalsContact C-N 3.25Å; L331-G333 PolarHBondContact O-N 2.81Å; G333-A337 WeakPolarHBondContact O-CB 3.38Å; G333-A337 PolarHBondContact O-N 3.13Å
334V98.9Very high97.5Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-68.9-51.2175.7174.90000111.4V330 L331 P332 M336 A337 A338 F352 L391 A437 A440 F441V330-V334 WeakPolarHBondContact O-CG2 3Å; V330-V334 PolarHBondContact O-N 3.11Å; L331-V334 PolarHBondContact O-N 3.26Å; P332-V334 VanDerWaalsContact C-N 3.31Å; P332-V334 PolarHBondContact O-N 3.38Å; V334-M336 PolarHBondContact O-N 3.13Å; V334-A337 PolarHBondContact O-N 3Å; V334-A338 VanDerWaalsContact O-CB 3.31Å; V334-A338 WeakPolarHBondContact O-CB 3.28Å; V334-A338 PolarHBondContact O-N 3.44Å; V334-F352 HydrophobicContact CG1-CZ 3.9Å; V334-L391 HydrophobicContact CG1-CB 4.36Å; V334-L391 HydrophobicContact CG1-CD1 4.49Å; V334-L391 HydrophobicContact CG1-CD2 4.18Å; V334-A437 HydrophobicContact CG2-CB 4Å; V334-A440 HydrophobicContact CG2-CB 3.82Å; V334-F441 HydrophobicContact CB-CE2 4.16Å; V334-F441 HydrophobicContact CG1-CD2 4.39Å; V334-F441 HydrophobicContact CG1-CE2 3.82Å; V334-F441 HydrophobicContact CG1-CZ 4.17Å; V334-F441 HydrophobicContact CG2-CD2 4.32Å; V334-F441 HydrophobicContact CG2-CE2 4.1Å
335L98.8Very high97.7Very high0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-56.8-49.2-178.4177.454.8000111.6L256 L331 P332 A337 A338 R339 L344 Q349 F352 L353L256-L335 HydrophobicContact CD1-CD2 3.74Å; L331-L335 WeakPolarHBondContact O-CB 3.26Å; L331-L335 PolarHBondContact O-N 3Å; P332-L335 PolarHBondContact O-N 2.79Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.29Å; L335-A338 PolarHBondContact O-N 3.19Å; L335-R339 WeakPolarHBondContact O-CB 3.43Å; L335-R339 PolarHBondContact O-N 3.14Å; L335-L344 HydrophobicContact CD1-CD1 4.09Å; L335-Q349 HydrophobicContact CD1-CB 4.17Å; L335-Q349 HydrophobicContact CD1-CG 3.97Å; L335-Q349 HydrophobicContact CD2-CB 4.37Å; L335-F352 HydrophobicContact CB-CD1 4.13Å; L335-F352 HydrophobicContact CB-CE1 3.94Å; L335-F352 HydrophobicContact CB-CZ 4.45Å; L335-F352 HydrophobicContact CD1-CB 3.89Å; L335-F352 HydrophobicContact CD1-CD1 3.74Å; L335-F352 HydrophobicContact CD1-CD2 3.97Å; L335-F352 HydrophobicContact CD1-CE1 4.23Å; L335-F352 HydrophobicContact CD1-CE2 4.44Å; L335-F352 HydrophobicContact CD1-CG 3.62Å; L335-F352 HydrophobicContact CD2-CD1 4.31Å; L335-F352 HydrophobicContact CG-CD1 4.27Å; L335-L353 HydrophobicContact CD2-CD1 4.36Å; L335-L353 HydrophobicContact CD2-CD2 3.77Å; L335-L353 HydrophobicContact CD2-CG 3.9Å
336M98.5Very high97.8Very high26 Ų2635.6 Ų35.613%0.12817%0.173CC..Hα-helixtrans-67.8-32.2-178-67.8-51127.100113.3L256 E260 I263 N305 P332 V334L256-M336 HydrophobicContact CD1-CE 3.48Å; L256-M336 VanDerWaalsContact CD1-CE 3.48Å; E260-M336 HydrophobicContact CG-CE 3.68Å; E260-M336 HydrophobicContact CG-SD 3.77Å; I263-M336 HydrophobicContact CD1-CB 3.93Å; I263-M336 HydrophobicContact CD1-CG 3.42Å; I263-M336 VanDerWaalsContact CD1-CG 3.42Å; N305-M336 WeakPolarHBondContact ND2-CB 3.43Å; P332-M336 WeakPolarHBondContact O-CB 3.49Å; P332-M336 WeakPolarHBondContact O-CG 3.49Å; P332-M336 PolarHBondContact O-N 2.9Å; V334-M336 PolarHBondContact O-N 3.13Å
337A98.4Very high98Very high2 Ų241.3 Ų41.32%0.01720%0.202CC..Hα-helixtrans-72.4-37.2173.300000112.1T298 K301 A302 G333 V334 L335 F441T298-A337 HydrophobicContact CG2-CB 4.28Å; T298-A337 WeakPolarHBondContact O-CB 3.39Å; K301-A337 HydrophobicContact CB-CB 4.11Å; A302-A337 HydrophobicContact CB-CB 3.73Å; G333-A337 WeakPolarHBondContact O-CB 3.38Å; G333-A337 PolarHBondContact O-N 3.13Å; V334-A337 PolarHBondContact O-N 3Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.29Å; A337-F441 HydrophobicContact CB-CE2 4.09Å; A337-F441 HydrophobicContact CB-CZ 3.87Å
338A98.4Very high98Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-71.6-37.1177.700000112.3V334 L335 E340 K341 L342 L391 F441V334-A338 VanDerWaalsContact O-CB 3.31Å; V334-A338 WeakPolarHBondContact O-CB 3.28Å; V334-A338 PolarHBondContact O-N 3.44Å; L335-A338 PolarHBondContact O-N 3.19Å; A338-E340 VanDerWaalsContact C-N 3.34Å; A338-E340 PolarHBondContact O-N 2.71Å; A338-K341 PolarHBondContact O-N 3.11Å; A338-K341 VanDerWaalsContact O-N 3.09Å; A338-L342 HydrophobicContact CB-CD1 4.36Å; A338-L342 WeakPolarHBondContact O-CB 3.48Å; A338-L342 PolarHBondContact O-N 2.91Å; A338-L391 HydrophobicContact CB-CD1 3.59Å; A338-F441 HydrophobicContact CB-CZ 4.24Å
339R98.2Very high98.1Very high102 Ų10245.9 Ų45.939%0.38522%0.224SC..Hα-helixtrans-50.1-51.3178179-169.2172.3172.8-5.8111.8E260 L335 N343 L344 Q349E260-R339 IonicContact OE1-CZ 3.01Å; E260-R339 IonicContact OE1-NH1 3.87Å; E260-R339 PolarHBondContact OE1-NH1 3.48Å; L335-R339 WeakPolarHBondContact O-CB 3.43Å; L335-R339 PolarHBondContact O-N 3.14Å; R339-N343 CarbonylContact O-C 3.52Å; R339-N343 WeakPolarHBondContact O-CA 3.48Å; R339-N343 PolarHBondContact O-N 2.88Å; R339-L344 PolarHBondContact O-N 2.87Å; R339-L344 VanDerWaalsContact O-N 3.09Å; R339-Q349 VanDerWaalsContact CD-OE1 3.29Å; R339-Q349 HydrophobicContact CG-CG 4.45Å
340E91.7Very high98.1Very high116 Ų11646.3 Ų46.354%0.54223%0.226SC..Hα-helixtrans-68-42.4178.8-171.9-172.5159.400111.7K301 A338K301-E340 IonicContact NZ-OE1 2.56Å; K301-E340 PolarHBondContact NZ-OE1 3.38Å; K301-E340 IonicContact NZ-OE2 2.8Å; K301-E340 PolarHBondContact NZ-OE2 2.85Å; A338-E340 VanDerWaalsContact C-N 3.34Å; A338-E340 PolarHBondContact O-N 2.71Å
341K96.6Very high98.1Very high140 Ų14047.5 Ų47.561%0.60923%0.232SC*.Hα-helixtrans-68-38.7-176178.659.6179.6179.90113T298 A338T298-K341 HydrophobicContact CG2-CB 3.97Å; T298-K341 HydrophobicContact CG2-CG 4.23Å; A338-K341 PolarHBondContact O-N 3.11Å; A338-K341 VanDerWaalsContact O-N 3.09Å
342L98Very high98.1Very high47 Ų4747.5 Ų47.525%0.24623%0.232CC..Hα-helixtrans-99.6-6.8-175.8-58.1179.5000112.6A338 L344 L391 A394 N395A338-L342 HydrophobicContact CB-CD1 4.36Å; A338-L342 WeakPolarHBondContact O-CB 3.48Å; A338-L342 PolarHBondContact O-N 2.91Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 HydrophobicContact CB-CD2 3.67Å; L342-L344 HydrophobicContact CB-CG 3.93Å; L342-L344 HydrophobicContact CD1-CD2 4.12Å; L342-L391 HydrophobicContact CD1-CD1 4.42Å; L342-A394 HydrophobicContact CD1-CB 4.28Å; L342-N395 HydrophobicContact CD1-CB 4.17Å; L342-N395 HydrophobicContact CD2-CB 4.36Å; L342-N395 WeakPolarHBondContact CD2-OD1 3.39Å
343N97.6Very high98.1Very high135 Ų13547.5 Ų47.572%0.72223%0.232SC*.THydrogen-bonded Turntrans54.844.4-171.4-56.3-70.9000112.7R339 T345R339-N343 CarbonylContact O-C 3.52Å; R339-N343 WeakPolarHBondContact O-CA 3.48Å; R339-N343 PolarHBondContact O-N 2.88Å; N343-T345 PolarHBondContact O-N 2.94Å
344L98.4Very high98.1Very high14 Ų1447.5 Ų47.57%0.07323%0.232CC..  trans-61.6131.8-178.2-56.9178.7000110.7L335 R339 L342 E348 Q349 A394L335-L344 HydrophobicContact CD1-CD1 4.09Å; R339-L344 PolarHBondContact O-N 2.87Å; R339-L344 VanDerWaalsContact O-N 3.09Å; L342-L344 VanDerWaalsContact C-N 3.32Å; L342-L344 HydrophobicContact CB-CD2 3.67Å; L342-L344 HydrophobicContact CB-CG 3.93Å; L342-L344 HydrophobicContact CD1-CD2 4.12Å; L344-E348 HydrophobicContact CB-CB 4.18Å; L344-E348 HydrophobicContact CD2-CB 4.24Å; L344-Q349 HydrophobicContact CB-CG 4.03Å; L344-Q349 HydrophobicContact CD1-CG 4.47Å; L344-A394 HydrophobicContact CD2-CB 4.43Å
345T98.3Very high98.1Very high74 Ų7447.5 Ų47.545%0.45423%0.232SC..  trans-66.4171.7167.560.90000111N343 E348 Q349N343-T345 PolarHBondContact O-N 2.94Å; T345-E348 WeakPolarHBondContact CB-OE2 3.18Å; T345-E348 WeakPolarHBondContact CG2-OE2 3.4Å; T345-E348 PolarHBondContact N-OE2 3.08Å; T345-E348 WeakPolarHBondContact OG1-CB 3.25Å; T345-E348 VanDerWaalsContact OG1-CD 3.29Å; T345-E348 VanDerWaalsContact OG1-CG 3.26Å; T345-E348 WeakPolarHBondContact OG1-CG 3.32Å; T345-E348 PolarHBondContact OG1-N 2.82Å; T345-E348 PolarHBondContact OG1-OE2 2.96Å; T345-Q349 VanDerWaalsContact O-CG 3.31Å; T345-Q349 WeakPolarHBondContact O-CG 3.26Å; T345-Q349 PolarHBondContact O-N 3Å; T345-Q349 PolarHBondContact O-NE2 3.11Å
346H98.3Very high98.1Very high87 Ų8747.5 Ų47.540%0.40323%0.232SC..Hα-helixtrans-63.2-45.9175.8-174.373.1000111.2E253 E348 Q349 I350E253-H346 IonicContact OE1-NE2 2.69Å; H346-E348 VanDerWaalsContact C-N 3.32Å; H346-E348 PolarHBondContact O-N 2.95Å; H346-Q349 WeakPolarHBondContact O-CB 3.28Å; H346-Q349 PolarHBondContact O-N 3.27Å; H346-I350 PolarHBondContact O-N 3.29Å; H346-I350 VanDerWaalsContact O-N 3.07Å
347D98.4Very high98.1Very high125 Ų12546.3 Ų46.367%0.66823%0.226SC*.Hα-helixtrans-60.6-40.1179.2-60.4-10.1000112Q349 I350 D351D347-Q349 VanDerWaalsContact C-N 3.29Å; D347-Q349 PolarHBondContact O-N 2.87Å; D347-I350 PolarHBondContact O-N 3.32Å; D347-D351 WeakPolarHBondContact O-CB 3.09Å; D347-D351 PolarHBondContact O-N 2.92Å
348E98.6Very high98.1Very high92 Ų9246.2 Ų46.243%0.4323%0.225SC..Hα-helixtrans-67.8-27.2175.7-72.2165.7141.300112.9L344 T345 H346 F352L344-E348 HydrophobicContact CB-CB 4.18Å; L344-E348 HydrophobicContact CD2-CB 4.24Å; T345-E348 WeakPolarHBondContact CB-OE2 3.18Å; T345-E348 WeakPolarHBondContact CG2-OE2 3.4Å; T345-E348 PolarHBondContact N-OE2 3.08Å; T345-E348 WeakPolarHBondContact OG1-CB 3.25Å; T345-E348 VanDerWaalsContact OG1-CD 3.29Å; T345-E348 VanDerWaalsContact OG1-CG 3.26Å; T345-E348 WeakPolarHBondContact OG1-CG 3.32Å; T345-E348 PolarHBondContact OG1-N 2.82Å; T345-E348 PolarHBondContact OG1-OE2 2.96Å; H346-E348 VanDerWaalsContact C-N 3.32Å; H346-E348 PolarHBondContact O-N 2.95Å; E348-F352 WeakPolarHBondContact O-CB 3.35Å; E348-F352 PolarHBondContact O-N 2.99Å
349Q98.7Very high98.1Very high4 Ų446.2 Ų46.22%0.01923%0.225CC..Hα-helixtrans-72.8-38.2172.8-69.4166.977.300111.5L256 L335 R339 L344 T345 H346 D347 F352 L353L256-Q349 HydrophobicContact CD2-CB 4.16Å; L335-Q349 HydrophobicContact CD1-CB 4.17Å; L335-Q349 HydrophobicContact CD1-CG 3.97Å; L335-Q349 HydrophobicContact CD2-CB 4.37Å; R339-Q349 VanDerWaalsContact CD-OE1 3.29Å; R339-Q349 HydrophobicContact CG-CG 4.45Å; L344-Q349 HydrophobicContact CB-CG 4.03Å; L344-Q349 HydrophobicContact CD1-CG 4.47Å; T345-Q349 VanDerWaalsContact O-CG 3.31Å; T345-Q349 WeakPolarHBondContact O-CG 3.26Å; T345-Q349 PolarHBondContact O-N 3Å; T345-Q349 PolarHBondContact O-NE2 3.11Å; H346-Q349 WeakPolarHBondContact O-CB 3.28Å; H346-Q349 PolarHBondContact O-N 3.27Å; D347-Q349 VanDerWaalsContact C-N 3.29Å; D347-Q349 PolarHBondContact O-N 2.87Å; Q349-F352 WeakPolarHBondContact O-CB 3.43Å; Q349-F352 PolarHBondContact O-N 3.09Å; Q349-L353 PolarHBondContact O-N 3.31Å
350I98.7Very high98Very high8 Ų841.3 Ų41.34%0.04121%0.207CC..Hα-helixtrans-65.5-46.2173.5-63.5-62.1000110.2M252 E253 L256 H346 D347 F352 L353 F354M252-I350 HydrophobicContact CB-CD1 4.45Å; M252-I350 HydrophobicContact CG-CD1 4.24Å; M252-I350 HydrophobicContact CG-CG2 4.37Å; E253-I350 HydrophobicContact CG-CD1 3.86Å; L256-I350 HydrophobicContact CB-CD1 4.45Å; L256-I350 HydrophobicContact CD2-CD1 3.81Å; H346-I350 PolarHBondContact O-N 3.29Å; H346-I350 VanDerWaalsContact O-N 3.07Å; D347-I350 PolarHBondContact O-N 3.32Å; I350-F352 VanDerWaalsContact C-N 3.29Å; I350-F352 PolarHBondContact O-N 3.32Å; I350-L353 PolarHBondContact O-N 2.88Å; I350-L353 VanDerWaalsContact O-N 3.08Å; I350-F354 HydrophobicContact CG2-CD2 3.65Å; I350-F354 HydrophobicContact CG2-CE2 3.46Å; I350-F354 VanDerWaalsContact CG2-CE2 3.46Å; I350-F354 VanDerWaalsContact O-CD2 3.3Å; I350-F354 WeakPolarHBondContact O-CD2 3.2Å; I350-F354 PolarHBondContact O-N 2.74Å
351D98.8Very high98.1Very high26 Ų2635.9 Ų35.914%0.13918%0.182CC..Hα-helixtrans-58.4-39174.6-176.375.5000112.5T228 G230 D347 L353 F354 T355T228-D351 VanDerWaalsContact CB-OD1 3.24Å; T228-D351 WeakPolarHBondContact CB-OD1 3.41Å; T228-D351 PolarHBondContact OG1-OD1 3.22Å; G230-D351 VanDerWaalsContact CA-OD1 3.24Å; G230-D351 WeakPolarHBondContact CA-OD1 3.36Å; G230-D351 PolarHBondContact N-OD1 2.98Å; D347-D351 WeakPolarHBondContact O-CB 3.09Å; D347-D351 PolarHBondContact O-N 2.92Å; D351-L353 VanDerWaalsContact C-N 3.33Å; D351-L353 PolarHBondContact O-N 2.85Å; D351-F354 PolarHBondContact O-N 2.91Å; D351-T355 VanDerWaalsContact O-CB 3.32Å; D351-T355 WeakPolarHBondContact O-CB 3.19Å; D351-T355 PolarHBondContact O-N 3.4Å; D351-T355 PolarHBondContact O-OG1 3.39Å
352F98.9Very high98.1Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-58-45.2173.9-175-75.2000111.7L331 V334 L335 E348 Q349 I350 T355 A356 A390 L391 A394L331-F352 HydrophobicContact CD1-CD1 4.33Å; L331-F352 HydrophobicContact CD1-CE1 3.61Å; V334-F352 HydrophobicContact CG1-CZ 3.9Å; L335-F352 HydrophobicContact CB-CD1 4.13Å; L335-F352 HydrophobicContact CB-CE1 3.94Å; L335-F352 HydrophobicContact CB-CZ 4.45Å; L335-F352 HydrophobicContact CD1-CB 3.89Å; L335-F352 HydrophobicContact CD1-CD1 3.74Å; L335-F352 HydrophobicContact CD1-CD2 3.97Å; L335-F352 HydrophobicContact CD1-CE1 4.23Å; L335-F352 HydrophobicContact CD1-CE2 4.44Å; L335-F352 HydrophobicContact CD1-CG 3.62Å; L335-F352 HydrophobicContact CD2-CD1 4.31Å; L335-F352 HydrophobicContact CG-CD1 4.27Å; E348-F352 WeakPolarHBondContact O-CB 3.35Å; E348-F352 PolarHBondContact O-N 2.99Å; Q349-F352 WeakPolarHBondContact O-CB 3.43Å; Q349-F352 PolarHBondContact O-N 3.09Å; I350-F352 VanDerWaalsContact C-N 3.29Å; I350-F352 PolarHBondContact O-N 3.32Å; F352-T355 PolarHBondContact O-N 2.96Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 2.85Å; F352-A390 HydrophobicContact CD1-CB 3.82Å; F352-A390 HydrophobicContact CD2-CB 3.99Å; F352-A390 HydrophobicContact CE1-CB 3.7Å; F352-A390 HydrophobicContact CE2-CB 3.87Å; F352-A390 HydrophobicContact CG-CB 3.94Å; F352-A390 HydrophobicContact CZ-CB 3.69Å; F352-A390 WeakPolarHBondContact O-CB 3.31Å; F352-L391 HydrophobicContact CE2-CB 4.17Å; F352-L391 HydrophobicContact CE2-CD1 4.37Å; F352-L391 HydrophobicContact CZ-CB 4.42Å; F352-A394 HydrophobicContact CD2-CB 3.72Å; F352-A394 HydrophobicContact CE2-CB 4.23Å
353L98.9Very high98Very high0 Ų027.1 Ų27.10%014%0.142CC..Hα-helixtrans-68.6-42.8179.9-67.4179.6000112.1M252 L256 M259 L331 L335 Q349 I350 D351 T355 A356 G357M252-L353 HydrophobicContact CE-CB 4.36Å; M252-L353 HydrophobicContact CG-CB 3.97Å; M252-L353 HydrophobicContact CG-CD1 3.92Å; M252-L353 HydrophobicContact SD-CB 3.7Å; M252-L353 HydrophobicContact SD-CD1 3.86Å; M252-L353 HydrophobicContact SD-CG 4.41Å; L256-L353 HydrophobicContact CB-CD1 3.96Å; L256-L353 HydrophobicContact CD1-CD1 4.18Å; M259-L353 HydrophobicContact CE-CD2 4.17Å; M259-L353 HydrophobicContact SD-CD1 4.36Å; M259-L353 HydrophobicContact SD-CD2 3.98Å; L331-L353 HydrophobicContact CD2-CD2 3.64Å; L331-L353 HydrophobicContact CG-CD2 4.03Å; L335-L353 HydrophobicContact CD2-CD1 4.36Å; L335-L353 HydrophobicContact CD2-CD2 3.77Å; L335-L353 HydrophobicContact CD2-CG 3.9Å; Q349-L353 PolarHBondContact O-N 3.31Å; I350-L353 PolarHBondContact O-N 2.88Å; I350-L353 VanDerWaalsContact O-N 3.08Å; D351-L353 VanDerWaalsContact C-N 3.33Å; D351-L353 PolarHBondContact O-N 2.85Å; L353-T355 VanDerWaalsContact C-N 3.34Å; L353-A356 PolarHBondContact O-N 2.99Å; L353-G357 PolarHBondContact O-N 2.87Å
354F98.8Very high97.7Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-63.8-39.3174.2-79.4-73.6000111.9V9 F10 M233 I234 I248 M252 I350 D351 G357 A358V9-F354 HydrophobicContact CG1-CD1 4.02Å; V9-F354 HydrophobicContact CG1-CE1 3.76Å; V9-F354 HydrophobicContact CG2-CD1 4.17Å; F10-F354 HydrophobicContact CZ-CE1 4.38Å; F10-F354 HydrophobicContact CZ-CZ 4.39Å; M233-F354 HydrophobicContact CB-CB 4.29Å; M233-F354 HydrophobicContact CB-CD1 4.43Å; M233-F354 HydrophobicContact CG-CB 4.41Å; M233-F354 HydrophobicContact CG-CD1 3.97Å; I234-F354 HydrophobicContact CD1-CD2 3.82Å; I234-F354 HydrophobicContact CD1-CE2 3.96Å; I234-F354 HydrophobicContact CD1-CG 4.25Å; I234-F354 HydrophobicContact CG1-CD1 3.82Å; I234-F354 HydrophobicContact CG1-CD2 3.76Å; I234-F354 HydrophobicContact CG1-CE1 3.87Å; I234-F354 HydrophobicContact CG1-CE2 3.82Å; I234-F354 HydrophobicContact CG1-CG 3.78Å; I234-F354 HydrophobicContact CG1-CZ 3.91Å; I248-F354 HydrophobicContact CG2-CE1 3.61Å; I248-F354 HydrophobicContact CG2-CZ 3.43Å; I248-F354 VanDerWaalsContact CG2-CZ 3.43Å; M252-F354 HydrophobicContact CB-CE2 3.69Å; M252-F354 HydrophobicContact CB-CZ 3.7Å; M252-F354 HydrophobicContact CE-CD1 3.88Å; M252-F354 HydrophobicContact CE-CD2 4.36Å; M252-F354 HydrophobicContact CE-CE1 3.73Å; M252-F354 HydrophobicContact CE-CE2 4.22Å; M252-F354 HydrophobicContact CE-CG 4.18Å; M252-F354 HydrophobicContact CE-CZ 3.88Å; M252-F354 HydrophobicContact CG-CD2 4.25Å; M252-F354 HydrophobicContact CG-CE2 3.8Å; M252-F354 HydrophobicContact CG-CZ 4.1Å; I350-F354 HydrophobicContact CG2-CD2 3.65Å; I350-F354 HydrophobicContact CG2-CE2 3.46Å; I350-F354 VanDerWaalsContact CG2-CE2 3.46Å; I350-F354 VanDerWaalsContact O-CD2 3.3Å; I350-F354 WeakPolarHBondContact O-CD2 3.2Å; I350-F354 PolarHBondContact O-N 2.74Å; D351-F354 PolarHBondContact O-N 2.91Å; F354-G357 PolarHBondContact O-N 2.86Å; F354-A358 PolarHBondContact O-N 3Å
355T98.8Very high97.2Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-61.1-49.5174.1-63.20000111.2V229 G230 D351 F352 L353 G357 A358 F359 A390 T393V229-T355 HydrophobicContact CB-CG2 3.87Å; V229-T355 HydrophobicContact CG1-CG2 4Å; V229-T355 HydrophobicContact CG2-CG2 4.49Å; G230-T355 PolarHBondContact N-OG1 3.48Å; D351-T355 VanDerWaalsContact O-CB 3.32Å; D351-T355 WeakPolarHBondContact O-CB 3.19Å; D351-T355 PolarHBondContact O-N 3.4Å; D351-T355 PolarHBondContact O-OG1 3.39Å; F352-T355 PolarHBondContact O-N 2.96Å; L353-T355 VanDerWaalsContact C-N 3.34Å; T355-G357 VanDerWaalsContact C-N 3.3Å; T355-G357 PolarHBondContact O-N 3.28Å; T355-A358 PolarHBondContact O-N 3.46Å; T355-F359 HydrophobicContact CG2-CD2 3.99Å; T355-F359 HydrophobicContact CG2-CE2 3.98Å; T355-F359 WeakPolarHBondContact O-CD2 3.46Å; T355-F359 PolarHBondContact O-N 3.5Å; T355-A390 HydrophobicContact CG2-CB 4.11Å; T355-T393 HydrophobicContact CG2-CG2 4.16Å
356A98.9Very high97Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-59.4-44.1176.400000111.3L331 F352 L353 A358 F359 G360 M386 A390L331-A356 HydrophobicContact CD1-CB 3.52Å; L331-A356 HydrophobicContact CD2-CB 4.01Å; L331-A356 HydrophobicContact CG-CB 4.45Å; F352-A356 WeakPolarHBondContact O-CB 3.37Å; F352-A356 PolarHBondContact O-N 2.85Å; L353-A356 PolarHBondContact O-N 2.99Å; A356-A358 PolarHBondContact O-N 3.07Å; A356-F359 PolarHBondContact O-N 2.97Å; A356-G360 PolarHBondContact O-N 3.45Å; A356-M386 HydrophobicContact CB-CB 4.25Å; A356-M386 HydrophobicContact CB-CG 4.3Å; A356-M386 WeakPolarHBondContact O-CB 3.08Å; A356-A390 HydrophobicContact CB-CB 3.88Å
357G98.3Very high96.7Very high0 Ų017.8 Ų17.80%09%0.093CC..Hα-helixtrans-58.5-42.8176.800000113.1L353 F354 T355 G360 L361L353-G357 PolarHBondContact O-N 2.87Å; F354-G357 PolarHBondContact O-N 2.86Å; T355-G357 VanDerWaalsContact C-N 3.3Å; T355-G357 PolarHBondContact O-N 3.28Å; G357-G360 CarbonylContact O-C 3.51Å; G357-G360 PolarHBondContact O-N 2.91Å; G357-L361 WeakPolarHBondContact O-CB 3.39Å; G357-L361 PolarHBondContact O-N 2.86Å
358A98.2Very high96.2Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-61.1-50.1177.500000112.5F213 L219 V229 M233 F354 T355 A356 G360 L361 V362F213-A358 HydrophobicContact CE2-CB 4.11Å; F213-A358 HydrophobicContact CZ-CB 3.84Å; L219-A358 HydrophobicContact CD1-CB 4.03Å; L219-A358 HydrophobicContact CD2-CB 4.2Å; V229-A358 HydrophobicContact CG1-CB 3.97Å; M233-A358 HydrophobicContact CB-CB 4.04Å; M233-A358 HydrophobicContact CG-CB 4.13Å; M233-A358 HydrophobicContact SD-CB 3.86Å; F354-A358 PolarHBondContact O-N 3Å; T355-A358 PolarHBondContact O-N 3.46Å; A356-A358 PolarHBondContact O-N 3.07Å; A358-G360 VanDerWaalsContact C-N 3.31Å; A358-G360 PolarHBondContact O-N 3.43Å; A358-L361 PolarHBondContact O-N 2.8Å; A358-V362 PolarHBondContact O-N 2.97Å
359F98.5Very high95.9Very high0 Ų07.9 Ų7.90%04%0.043CC..Hα-helixtrans-62.3-40.4175.1-81-76.2000111.7I216 L219 V229 T355 A356 M363 M386 A389 A402 A403 L406I216-F359 HydrophobicContact CD1-CD1 3.84Å; I216-F359 HydrophobicContact CD1-CE1 4.39Å; I216-F359 HydrophobicContact CG2-CE1 4.05Å; L219-F359 HydrophobicContact CD2-CD1 3.72Å; L219-F359 HydrophobicContact CD2-CD2 4.15Å; L219-F359 HydrophobicContact CD2-CE1 3.84Å; L219-F359 HydrophobicContact CD2-CE2 4.23Å; L219-F359 HydrophobicContact CD2-CG 3.89Å; L219-F359 HydrophobicContact CD2-CZ 4.09Å; V229-F359 HydrophobicContact CG1-CE2 4.19Å; T355-F359 HydrophobicContact CG2-CD2 3.99Å; T355-F359 HydrophobicContact CG2-CE2 3.98Å; T355-F359 WeakPolarHBondContact O-CD2 3.46Å; T355-F359 PolarHBondContact O-N 3.5Å; A356-F359 PolarHBondContact O-N 2.97Å; F359-M363 WeakPolarHBondContact O-CG 3.25Å; F359-M363 PolarHBondContact O-N 3.42Å; F359-M386 HydrophobicContact CB-CB 4.45Å; F359-A389 HydrophobicContact CB-CB 4.31Å; F359-A389 HydrophobicContact CD1-CB 4.06Å; F359-A389 HydrophobicContact CD2-CB 3.51Å; F359-A389 HydrophobicContact CE1-CB 4.25Å; F359-A389 HydrophobicContact CE2-CB 3.75Å; F359-A389 HydrophobicContact CG-CB 3.69Å; F359-A389 HydrophobicContact CZ-CB 4.12Å; F359-A402 HydrophobicContact CE2-CB 4Å; F359-A402 HydrophobicContact CZ-CB 3.74Å; F359-A403 HydrophobicContact CE1-CB 4.34Å; F359-L406 HydrophobicContact CB-CD1 4.01Å; F359-L406 HydrophobicContact CD1-CD1 3.5Å; F359-L406 VanDerWaalsContact CD1-CD1 3.5Å; F359-L406 HydrophobicContact CE1-CD1 4.34Å; F359-L406 HydrophobicContact CG-CD1 4.12Å
360G97.7Very high95.4Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-63.9-37.8176.100000113.5A356 G357 A358 M363 A364A356-G360 PolarHBondContact O-N 3.45Å; G357-G360 CarbonylContact O-C 3.51Å; G357-G360 PolarHBondContact O-N 2.91Å; A358-G360 VanDerWaalsContact C-N 3.31Å; A358-G360 PolarHBondContact O-N 3.43Å; G360-M363 PolarHBondContact O-N 2.84Å; G360-A364 VanDerWaalsContact O-CB 3.29Å; G360-A364 WeakPolarHBondContact O-CB 3.26Å; G360-A364 PolarHBondContact O-N 3.32Å
361L93.6Very high95.1Very high2 Ų27.4 Ų7.41%0.014%0.041CC..Hα-helixtrans-64.5-42.1179.9-172.964.9000111.6I12 M212 F213 M233 G357 A358 A364 N365I12-L361 HydrophobicContact CD1-CD1 4.24Å; I12-L361 HydrophobicContact CG1-CB 4.02Å; I12-L361 HydrophobicContact CG1-CD1 3.94Å; M212-L361 HydrophobicContact CE-CD2 4.28Å; F213-L361 HydrophobicContact CE2-CD2 4.44Å; M233-L361 HydrophobicContact CE-CD2 4.17Å; M233-L361 HydrophobicContact SD-CD2 4.27Å; G357-L361 WeakPolarHBondContact O-CB 3.39Å; G357-L361 PolarHBondContact O-N 2.86Å; A358-L361 PolarHBondContact O-N 2.8Å; L361-A364 PolarHBondContact O-N 2.93Å; L361-N365 PolarHBondContact O-N 2.64Å; L361-N365 PolarHBondContact O-ND2 3.48Å
362V95.3Very high94.6Very high3 Ų36.3 Ų6.32%0.0184%0.035CC..Hα-helixtrans-62.6-48.9173.5176.80000110.8F213 I216 L219 A358 A364 N365 N366F213-V362 HydrophobicContact CD2-CG2 3.55Å; F213-V362 HydrophobicContact CE2-CG2 3.98Å; I216-V362 HydrophobicContact CD1-CB 3.8Å; I216-V362 HydrophobicContact CD1-CG1 3.58Å; I216-V362 HydrophobicContact CD1-CG2 4.37Å; I216-V362 HydrophobicContact CG1-CG1 3.85Å; L219-V362 HydrophobicContact CD2-CG2 4.38Å; A358-V362 PolarHBondContact O-N 2.97Å; V362-A364 VanDerWaalsContact C-N 3.32Å; V362-A364 PolarHBondContact O-N 3.41Å; V362-N365 PolarHBondContact O-N 3.45Å; V362-N366 WeakPolarHBondContact O-CB 3.26Å; V362-N366 PolarHBondContact O-N 2.84Å; V362-N366 PolarHBondContact O-ND2 3.04Å
363M95.3Very high94.3Very high0 Ų07.5 Ų7.50%04%0.041CC..Hα-helixtrans-60.5-42179.1-70.5-171.9-62.500111.9F359 G360 N365 N366 A367 S382 A385 M386 L406 L410 V461F359-M363 WeakPolarHBondContact O-CG 3.25Å; F359-M363 PolarHBondContact O-N 3.42Å; G360-M363 PolarHBondContact O-N 2.84Å; M363-N365 VanDerWaalsContact C-N 3.34Å; M363-N365 PolarHBondContact O-N 2.71Å; M363-N366 PolarHBondContact O-N 3.17Å; M363-A367 WeakPolarHBondContact O-CB 3.14Å; M363-A367 PolarHBondContact O-N 3.38Å; M363-S382 WeakPolarHBondContact CE-O 3.25Å; M363-A385 HydrophobicContact CE-CB 4.4Å; M363-A385 HydrophobicContact SD-CB 4.08Å; M363-M386 HydrophobicContact CE-CB 3.91Å; M363-M386 HydrophobicContact CE-CE 3.93Å; M363-L406 HydrophobicContact CE-CD1 4.43Å; M363-L406 HydrophobicContact CG-CD1 4.29Å; M363-L406 HydrophobicContact SD-CD1 3.91Å; M363-L406 HydrophobicContact SD-CD2 4.34Å; M363-L406 HydrophobicContact SD-CG 4.12Å; M363-L410 HydrophobicContact SD-CD1 3.99Å; M363-L410 HydrophobicContact SD-CD2 4.33Å; M363-V461 HydrophobicContact CG-CG2 3.99Å
364A92.3Very high94Very high0 Ų07.7 Ų7.70%04%0.043CC..Hα-helixtrans-65.7-35.5-177.500000112.8Y6 I12 G360 L361 V362 I369Y6-A364 HydrophobicContact CD2-CB 3.45Å; Y6-A364 VanDerWaalsContact CD2-CB 3.45Å; Y6-A364 HydrophobicContact CE2-CB 3.8Å; Y6-A364 HydrophobicContact CG-CB 4.04Å; I12-A364 HydrophobicContact CD1-CB 3.51Å; G360-A364 VanDerWaalsContact O-CB 3.29Å; G360-A364 WeakPolarHBondContact O-CB 3.26Å; G360-A364 PolarHBondContact O-N 3.32Å; L361-A364 PolarHBondContact O-N 2.93Å; V362-A364 VanDerWaalsContact C-N 3.32Å; V362-A364 PolarHBondContact O-N 3.41Å; A364-I369 HydrophobicContact CB-CD1 4.09Å; A364-I369 HydrophobicContact CB-CG1 4.14Å; A364-I369 HydrophobicContact CB-CG2 3.72Å
365N89Confident93.9Very high37 Ų377.7 Ų7.720%0.1984%0.043CC..Hα-helixtrans-82.6-29.4178.2-76.2-64.5000114L4 K5 Y6 L361 V362 M363L4-N365 HydrophobicContact CD2-CB 4.03Å; K5-N365 PolarHBondContact N-OD1 3.29Å; Y6-N365 PolarHBondContact N-OD1 3.18Å; Y6-N365 VanDerWaalsContact N-OD1 3.07Å; Y6-N365 PolarHBondContact O-ND2 3Å; Y6-N365 PolarHBondContact O-OD1 2.89Å; L361-N365 PolarHBondContact O-N 2.64Å; L361-N365 PolarHBondContact O-ND2 3.48Å; V362-N365 PolarHBondContact O-N 3.45Å; M363-N365 VanDerWaalsContact C-N 3.34Å; M363-N365 PolarHBondContact O-N 2.71Å
366N92.6Very high93.8Very high73 Ų737.7 Ų7.739%0.394%0.043SC..Hα-helixtrans-94.1-13.4-179.5-70.8-83.4000114.1Y214 V362 M363 V461Y214-N366 PolarHBondContact O-ND2 3.21Å; V362-N366 WeakPolarHBondContact O-CB 3.26Å; V362-N366 PolarHBondContact O-N 2.84Å; V362-N366 PolarHBondContact O-ND2 3.04Å; M363-N366 PolarHBondContact O-N 3.17Å; N366-V461 HydrophobicContact CB-CG1 3.88Å
367A92.4Very high93.8Very high4 Ų47.8 Ų7.83%0.0334%0.043CC..SBendtrans-133.9-127.6178.100000111.2M363 V461 M464 Y465M363-A367 WeakPolarHBondContact O-CB 3.14Å; M363-A367 PolarHBondContact O-N 3.38Å; A367-V461 HydrophobicContact CB-CG1 3.88Å; A367-M464 HydrophobicContact CB-CE 3.58Å; A367-Y465 HydrophobicContact CB-CD2 4.31Å; A367-Y465 HydrophobicContact CB-CG 4.43Å
368S88.6Confident93.6Very high7 Ų77.9 Ų7.95%0.0494%0.044CC..  trans-144.3149.9169.5177.10000107.6S370 E373 A378S368-S370 WeakPolarHBondContact OG-CB 3.39Å; S368-S370 PolarHBondContact OG-N 3.47Å; S368-E373 WeakPolarHBondContact CB-OE2 3.43Å; S368-E373 WeakPolarHBondContact OG-CB 3.35Å; S368-E373 PolarHBondContact OG-OE2 3.3Å; S368-A378 WeakPolarHBondContact O-CB 3.24Å
369I91Very high93.5Very high1 Ų18.3 Ų8.31%0.0055%0.046CC..  trans-108.18.3168.952.6164.3000112Y6 I12 P323 T324 A364 A378Y6-I369 HydrophobicContact CE1-CD1 3.91Å; Y6-I369 HydrophobicContact CE2-CD1 4.18Å; Y6-I369 HydrophobicContact CE2-CG1 4.09Å; I12-I369 HydrophobicContact CD1-CD1 4.37Å; P323-I369 HydrophobicContact CB-CB 4.4Å; P323-I369 HydrophobicContact CB-CD1 3.95Å; P323-I369 HydrophobicContact CB-CG2 4.31Å; P323-I369 HydrophobicContact CG-CB 3.94Å; P323-I369 HydrophobicContact CG-CD1 4.42Å; P323-I369 HydrophobicContact CG-CG2 3.8Å; T324-I369 WeakPolarHBondContact CG2-O 3.37Å; A364-I369 HydrophobicContact CB-CD1 4.09Å; A364-I369 HydrophobicContact CB-CG1 4.14Å; A364-I369 HydrophobicContact CB-CG2 3.72Å; I369-A378 VanDerWaalsContact CA-O 3.29Å; I369-A378 WeakPolarHBondContact CA-O 3.42Å
370S89.8Confident93.5Very high2 Ų28.6 Ų8.61%0.0145%0.048CC..  trans-100.3127.8-174177.50000111.8S368 A372 E373 G374S368-S370 WeakPolarHBondContact OG-CB 3.39Å; S368-S370 PolarHBondContact OG-N 3.47Å; S370-A372 VanDerWaalsContact C-N 3.27Å; S370-A372 PolarHBondContact O-N 3.21Å; S370-E373 PolarHBondContact O-N 3.33Å; S370-E373 VanDerWaalsContact O-N 3.14Å; S370-G374 PolarHBondContact O-N 3.38Å
371G91.1Very high93.5Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-59.9-38.2175.200000112.4E373 G375 E477G371-E373 VanDerWaalsContact C-N 3.3Å; G371-E373 PolarHBondContact O-N 3.16Å; G371-G375 VanDerWaalsContact O-CA 3.29Å; G371-G375 WeakPolarHBondContact O-CA 3.42Å; G371-G375 PolarHBondContact O-N 3.02Å; G371-E477 VanDerWaalsContact C-OE2 3.27Å; G371-E477 WeakPolarHBondContact CA-OE2 3.24Å
372A89.4Confident93.7Very high3 Ų38.5 Ų8.53%0.0255%0.047CC..Hα-helixtrans-67.6-24.4176.400000113.9P107 S370 K476 E477P107-A372 HydrophobicContact CB-CB 4.09Å; P107-A372 HydrophobicContact CG-CB 3.77Å; S370-A372 VanDerWaalsContact C-N 3.27Å; S370-A372 PolarHBondContact O-N 3.21Å; A372-K476 WeakPolarHBondContact O-CB 3.31Å; A372-E477 HydrophobicContact CB-CB 4.28Å; A372-E477 PolarHBondContact N-OE2 3.02Å
373E91.3Very high93.9Very high25 Ų258.3 Ų8.312%0.1175%0.047CC..Hα-helixtrans-94.1-37.6176.6-69.6-167.5109.900112.9H106 P107 S368 S370 G371 K476H106-E373 IonicContact NE2-OE1 3.29Å; P107-E373 HydrophobicContact CG-CG 4.49Å; S368-E373 WeakPolarHBondContact CB-OE2 3.43Å; S368-E373 WeakPolarHBondContact OG-CB 3.35Å; S368-E373 PolarHBondContact OG-OE2 3.3Å; S370-E373 PolarHBondContact O-N 3.33Å; S370-E373 VanDerWaalsContact O-N 3.14Å; G371-E373 VanDerWaalsContact C-N 3.3Å; G371-E373 PolarHBondContact O-N 3.16Å; E373-K476 WeakPolarHBondContact O-CD 3.44Å
374G93.8Very high94Very high4 Ų48.3 Ų8.34%0.0415%0.047CC..Hα-helixtrans-133.41.9-167.100000117.1S370 Q377S370-G374 PolarHBondContact O-N 3.38Å; G374-Q377 WeakPolarHBondContact O-CG 3.45Å; G374-Q377 PolarHBondContact O-NE2 3.17Å
375G95.8Very high94.3Very high0 Ų08.3 Ų8.30%05%0.047CC..  trans75.9-177.5-17400000113.2G371 Q377 A378 L416G371-G375 VanDerWaalsContact O-CA 3.29Å; G371-G375 WeakPolarHBondContact O-CA 3.42Å; G371-G375 PolarHBondContact O-N 3.02Å; G375-Q377 PolarHBondContact O-N 2.85Å; G375-Q377 VanDerWaalsContact O-N 3.13Å; G375-A378 VanDerWaalsContact O-CB 3.32Å; G375-A378 WeakPolarHBondContact O-CB 3.35Å; G375-A378 PolarHBondContact O-N 3.44Å; G375-L416 CarbonylContact C-O 3.56Å
376C97.4Very high94.8Very high1 Ų16.6 Ų6.61%0.0074%0.037CC..Hα-helixtrans-67.5-13.1-177.7-77.60000114.4A378 E379 V380 G381 L416 I417 C418 R432C376-A378 PolarHBondContact O-N 2.98Å; C376-E379 PolarHBondContact O-N 3.31Å; C376-V380 PolarHBondContact O-N 3.47Å; C376-G381 PolarHBondContact O-N 3.36Å; C376-L416 HydrophobicContact CB-CD2 3.82Å; C376-L416 HydrophobicContact CB-CG 3.89Å; C376-L416 PolarHBondContact N-O 2.79Å; C376-I417 WeakPolarHBondContact CB-O 3.44Å; C376-C418 VanDerWaalsContact SG-SG 3.67Å; C376-R432 PolarHBondContact SG-NH1 3.22Å
377Q97.4Very high95.1Very high1 Ų13.1 Ų3.11%0.0052%0.019CC..Hα-helixtrans-59.9-31.3166.258.3165.310.600112.1G374 G375 G381 S382 V413 L416 M464 G468G374-Q377 WeakPolarHBondContact O-CG 3.45Å; G374-Q377 PolarHBondContact O-NE2 3.17Å; G375-Q377 PolarHBondContact O-N 2.85Å; G375-Q377 VanDerWaalsContact O-N 3.13Å; Q377-G381 CarbonylContact O-C 3.57Å; Q377-G381 WeakPolarHBondContact O-CA 3.31Å; Q377-G381 PolarHBondContact O-N 3.02Å; Q377-S382 PolarHBondContact O-N 3.41Å; Q377-V413 WeakPolarHBondContact CB-O 3.35Å; Q377-L416 HydrophobicContact CB-CB 4.17Å; Q377-L416 PolarHBondContact N-O 3.11Å; Q377-M464 HydrophobicContact CG-CG 4.38Å; Q377-M464 PolarHBondContact NE2-O 2.94Å; Q377-G468 VanDerWaalsContact NE2-CA 3.34Å; Q377-G468 VanDerWaalsContact NE2-N 3.2Å
378A95.6Very high95.4Very high2 Ų22.9 Ų2.92%0.0172%0.017CC..Hα-helixtrans-79.3-28.717900000112.1S368 I369 G375 C376 S382S368-A378 WeakPolarHBondContact O-CB 3.24Å; I369-A378 VanDerWaalsContact CA-O 3.29Å; I369-A378 WeakPolarHBondContact CA-O 3.42Å; G375-A378 VanDerWaalsContact O-CB 3.32Å; G375-A378 WeakPolarHBondContact O-CB 3.35Å; G375-A378 PolarHBondContact O-N 3.44Å; C376-A378 PolarHBondContact O-N 2.98Å; A378-S382 WeakPolarHBondContact O-CB 3.35Å; A378-S382 PolarHBondContact O-OG 3.28Å
379E95.5Very high95.9Very high10 Ų102.6 Ų2.65%0.0472%0.015CC..Hα-helixtrans-95.1-78.1179.4-61.2-173.9101.300111.6T324 C376 G381 S382 A383T324-E379 WeakPolarHBondContact CB-OE1 3.43Å; T324-E379 HydrophobicContact CG2-CB 4.4Å; T324-E379 HydrophobicContact CG2-CG 3.87Å; T324-E379 PolarHBondContact OG1-OE1 2.88Å; C376-E379 PolarHBondContact O-N 3.31Å; E379-G381 VanDerWaalsContact C-N 3.28Å; E379-G381 PolarHBondContact O-N 3.44Å; E379-S382 PolarHBondContact O-N 2.85Å; E379-S382 PolarHBondContact O-OG 3.14Å; E379-A383 WeakPolarHBondContact O-CB 2.97Å; E379-A383 PolarHBondContact O-N 3.41Å
380V97.9Very high96.3Very high5 Ų52.5 Ų2.53%0.031%0.014CC..Hα-helixtrans-63.7-38.5-178.6176.80000110.4V330 C376 A383 S384 R432V330-V380 HydrophobicContact CG2-CG1 4.23Å; C376-V380 PolarHBondContact O-N 3.47Å; V380-A383 PolarHBondContact O-N 3.11Å; V380-S384 WeakPolarHBondContact O-CB 3.36Å; V380-S384 PolarHBondContact O-N 3.43Å; V380-S384 PolarHBondContact O-OG 3.08Å; V380-R432 HydrophobicContact CG1-CB 4.25Å; V380-R432 VanDerWaalsContact CG1-O 3.29Å; V380-R432 WeakPolarHBondContact CG1-O 3.41Å; V380-R432 HydrophobicContact CG2-CB 3.99Å
381G98.2Very high96.7Very high0 Ų02.9 Ų2.90%02%0.016CC..Hα-helixtrans-65.4-43.1178.600000113.6C376 Q377 E379 S384 A385C376-G381 PolarHBondContact O-N 3.36Å; Q377-G381 CarbonylContact O-C 3.57Å; Q377-G381 WeakPolarHBondContact O-CA 3.31Å; Q377-G381 PolarHBondContact O-N 3.02Å; E379-G381 VanDerWaalsContact C-N 3.28Å; E379-G381 PolarHBondContact O-N 3.44Å; G381-S384 PolarHBondContact O-N 3.09Å; G381-A385 WeakPolarHBondContact O-CB 3.2Å; G381-A385 PolarHBondContact O-N 3.17Å
382S98Very high97.1Very high0 Ų02.9 Ų2.90%02%0.016CC..Hα-helixtrans-67.9-42.1175.169.90000111.3P323 M363 Q377 A378 E379 S384 A385 M386P323-S382 WeakPolarHBondContact CG-OG 3.32Å; M363-S382 WeakPolarHBondContact CE-O 3.25Å; Q377-S382 PolarHBondContact O-N 3.41Å; A378-S382 WeakPolarHBondContact O-CB 3.35Å; A378-S382 PolarHBondContact O-OG 3.28Å; E379-S382 PolarHBondContact O-N 2.85Å; E379-S382 PolarHBondContact O-OG 3.14Å; S382-S384 VanDerWaalsContact C-N 3.33Å; S382-S384 PolarHBondContact O-N 2.83Å; S382-A385 PolarHBondContact O-N 3.43Å; S382-A385 VanDerWaalsContact O-N 3.11Å; S382-M386 WeakPolarHBondContact O-CG 3.19Å; S382-M386 PolarHBondContact O-N 2.84Å
383A98.6Very high97.5Very high0 Ų04 Ų40%02%0.023CC..Hα-helixtrans-58.8-43.7175.200000111.7T322 V330 E379 V380 A385 M386 S387T322-A383 WeakPolarHBondContact O-CB 3.24Å; V330-A383 HydrophobicContact CB-CB 3.78Å; V330-A383 HydrophobicContact CG1-CB 4.06Å; V330-A383 HydrophobicContact CG2-CB 4.07Å; E379-A383 WeakPolarHBondContact O-CB 2.97Å; E379-A383 PolarHBondContact O-N 3.41Å; V380-A383 PolarHBondContact O-N 3.11Å; A383-A385 VanDerWaalsContact C-N 3.35Å; A383-A385 PolarHBondContact O-N 2.77Å; A383-M386 VanDerWaalsContact O-CG 3.24Å; A383-M386 WeakPolarHBondContact O-CG 3.35Å; A383-S387 VanDerWaalsContact O-CB 3.25Å; A383-S387 WeakPolarHBondContact O-CB 3.16Å; A383-S387 PolarHBondContact O-N 3.43Å; A383-S387 PolarHBondContact O-OG 3.32Å
384S98.8Very high97.9Very high0 Ų04.3 Ų4.30%03%0.029CC..Hα-helixtrans-61.1-43.5173.5-70.40000112.2V380 G381 S382 S387 A388 G436 A440V380-S384 WeakPolarHBondContact O-CB 3.36Å; V380-S384 PolarHBondContact O-N 3.43Å; V380-S384 PolarHBondContact O-OG 3.08Å; G381-S384 PolarHBondContact O-N 3.09Å; S382-S384 VanDerWaalsContact C-N 3.33Å; S382-S384 PolarHBondContact O-N 2.83Å; S384-S387 PolarHBondContact O-N 2.98Å; S384-A388 WeakPolarHBondContact O-CB 3.39Å; S384-A388 PolarHBondContact O-N 3.29Å; S384-G436 WeakPolarHBondContact CB-O 3.3Å; S384-G436 WeakPolarHBondContact OG-CA 3.34Å; S384-G436 PolarHBondContact OG-O 3.33Å; S384-A440 WeakPolarHBondContact O-CB 3.34Å
385A98.8Very high98.1Very high0 Ų07.8 Ų7.80%05%0.047CC..Hα-helixtrans-72.2-41.1-173.700000112.4M363 G381 S382 A383 S387 A388 A389 L406 T409 L410M363-A385 HydrophobicContact CE-CB 4.4Å; M363-A385 HydrophobicContact SD-CB 4.08Å; G381-A385 WeakPolarHBondContact O-CB 3.2Å; G381-A385 PolarHBondContact O-N 3.17Å; S382-A385 PolarHBondContact O-N 3.43Å; S382-A385 VanDerWaalsContact O-N 3.11Å; A383-A385 VanDerWaalsContact C-N 3.35Å; A383-A385 PolarHBondContact O-N 2.77Å; A385-S387 VanDerWaalsContact C-N 3.34Å; A385-A388 PolarHBondContact O-N 2.95Å; A385-A389 PolarHBondContact O-N 3Å; A385-A389 VanDerWaalsContact O-N 3.08Å; A385-L406 HydrophobicContact CB-CG 4.04Å; A385-T409 HydrophobicContact CB-CG2 3.93Å; A385-L410 HydrophobicContact CB-CD2 3.55Å; A385-L410 HydrophobicContact CB-CG 3.71Å
386M98.7Very high98.2Very high0 Ų011.2 Ų11.20%08%0.083CC..Hα-helixtrans-65.7-38.1172.367.3-178.269.300112I12 I13 P323 A356 F359 M363 S382 A383 A389 A390I12-M386 HydrophobicContact CG2-CE 4.02Å; I12-M386 HydrophobicContact CG2-SD 4.22Å; I13-M386 HydrophobicContact CD1-SD 4.45Å; P323-M386 HydrophobicContact CB-CE 4.03Å; P323-M386 HydrophobicContact CG-CE 3.7Å; A356-M386 HydrophobicContact CB-CB 4.25Å; A356-M386 HydrophobicContact CB-CG 4.3Å; A356-M386 WeakPolarHBondContact O-CB 3.08Å; F359-M386 HydrophobicContact CB-CB 4.45Å; M363-M386 HydrophobicContact CE-CB 3.91Å; M363-M386 HydrophobicContact CE-CE 3.93Å; S382-M386 WeakPolarHBondContact O-CG 3.19Å; S382-M386 PolarHBondContact O-N 2.84Å; A383-M386 VanDerWaalsContact O-CG 3.24Å; A383-M386 WeakPolarHBondContact O-CG 3.35Å; M386-A389 PolarHBondContact O-N 2.79Å; M386-A390 PolarHBondContact O-N 3.38Å
387S98.9Very high98.2Very high0 Ų011.8 Ų11.80%09%0.088CC..Hα-helixtrans-65.8-39.2176.1-57.30000111.7L331 A383 S384 A385 L391L331-S387 VanDerWaalsContact CA-OG 3.31Å; L331-S387 WeakPolarHBondContact CA-OG 3.28Å; L331-S387 VanDerWaalsContact CD1-OG 3.25Å; L331-S387 WeakPolarHBondContact CD1-OG 3.34Å; A383-S387 VanDerWaalsContact O-CB 3.25Å; A383-S387 WeakPolarHBondContact O-CB 3.16Å; A383-S387 PolarHBondContact O-N 3.43Å; A383-S387 PolarHBondContact O-OG 3.32Å; S384-S387 PolarHBondContact O-N 2.98Å; A385-S387 VanDerWaalsContact C-N 3.34Å; S387-L391 VanDerWaalsContact O-CB 3.24Å; S387-L391 WeakPolarHBondContact O-CB 3.25Å; S387-L391 PolarHBondContact O-N 3.14Å
388A98.9Very high98.3Very high0 Ų015.2 Ų15.20%011%0.109CC..Hα-helixtrans-63.8-43176.300000111.2S384 A385 L391 V392 A405 T409 A440S384-A388 WeakPolarHBondContact O-CB 3.39Å; S384-A388 PolarHBondContact O-N 3.29Å; A385-A388 PolarHBondContact O-N 2.95Å; A388-L391 PolarHBondContact O-N 3.35Å; A388-V392 WeakPolarHBondContact O-CG2 3.47Å; A388-V392 PolarHBondContact O-N 3.17Å; A388-V392 VanDerWaalsContact O-N 3.09Å; A388-A405 HydrophobicContact CB-CB 4.06Å; A388-T409 WeakPolarHBondContact CB-OG1 3.42Å; A388-A440 HydrophobicContact CB-CB 4.2Å
389A98.9Very high98.4Very high0 Ų016.9 Ų16.90%012%0.12CC..Hα-helixtrans-62.3-48.9177.500000111.9F359 A385 M386 L391 V392 T393 A402 L406F359-A389 HydrophobicContact CB-CB 4.31Å; F359-A389 HydrophobicContact CD1-CB 4.06Å; F359-A389 HydrophobicContact CD2-CB 3.51Å; F359-A389 HydrophobicContact CE1-CB 4.25Å; F359-A389 HydrophobicContact CE2-CB 3.75Å; F359-A389 HydrophobicContact CG-CB 3.69Å; F359-A389 HydrophobicContact CZ-CB 4.12Å; A385-A389 PolarHBondContact O-N 3Å; A385-A389 VanDerWaalsContact O-N 3.08Å; M386-A389 PolarHBondContact O-N 2.79Å; A389-L391 VanDerWaalsContact C-N 3.32Å; A389-L391 PolarHBondContact O-N 2.93Å; A389-V392 PolarHBondContact O-N 2.9Å; A389-T393 PolarHBondContact O-N 2.6Å; A389-A402 HydrophobicContact CB-CB 4.05Å; A389-A402 WeakPolarHBondContact O-CB 3.33Å; A389-L406 HydrophobicContact CB-CB 4.45Å
390A98.9Very high98.5Very high0 Ų021.4 Ų21.40%014%0.141CC..Hα-helixtrans-63.5-35.6176.500000113.1F352 T355 A356 M386 V392 T393 A394F352-A390 HydrophobicContact CD1-CB 3.82Å; F352-A390 HydrophobicContact CD2-CB 3.99Å; F352-A390 HydrophobicContact CE1-CB 3.7Å; F352-A390 HydrophobicContact CE2-CB 3.87Å; F352-A390 HydrophobicContact CG-CB 3.94Å; F352-A390 HydrophobicContact CZ-CB 3.69Å; F352-A390 WeakPolarHBondContact O-CB 3.31Å; T355-A390 HydrophobicContact CG2-CB 4.11Å; A356-A390 HydrophobicContact CB-CB 3.88Å; M386-A390 PolarHBondContact O-N 3.38Å; A390-V392 VanDerWaalsContact C-N 3.34Å; A390-V392 PolarHBondContact O-N 2.61Å; A390-T393 PolarHBondContact O-N 3.23Å; A390-T393 PolarHBondContact O-OG1 3.17Å; A390-A394 VanDerWaalsContact O-CB 3.29Å; A390-A394 WeakPolarHBondContact O-CB 3.28Å; A390-A394 PolarHBondContact O-N 2.98Å
391L98.8Very high98.6Very high10 Ų1023.6 Ų23.65%0.05215%0.152CC..Hα-helixtrans-66.3-35.2175.8-175.962.9000112.7V334 A338 L342 F352 S387 A388 A389 N395 F441 A444V334-L391 HydrophobicContact CG1-CB 4.36Å; V334-L391 HydrophobicContact CG1-CD1 4.49Å; V334-L391 HydrophobicContact CG1-CD2 4.18Å; A338-L391 HydrophobicContact CB-CD1 3.59Å; L342-L391 HydrophobicContact CD1-CD1 4.42Å; F352-L391 HydrophobicContact CE2-CB 4.17Å; F352-L391 HydrophobicContact CE2-CD1 4.37Å; F352-L391 HydrophobicContact CZ-CB 4.42Å; S387-L391 VanDerWaalsContact O-CB 3.24Å; S387-L391 WeakPolarHBondContact O-CB 3.25Å; S387-L391 PolarHBondContact O-N 3.14Å; A388-L391 PolarHBondContact O-N 3.35Å; A389-L391 VanDerWaalsContact C-N 3.32Å; A389-L391 PolarHBondContact O-N 2.93Å; L391-N395 WeakPolarHBondContact O-CB 3.37Å; L391-N395 PolarHBondContact O-N 2.95Å; L391-N395 VanDerWaalsContact O-N 3.13Å; L391-F441 HydrophobicContact CD1-CE1 4.07Å; L391-F441 HydrophobicContact CD1-CZ 4.44Å; L391-F441 HydrophobicContact CD2-CB 4.3Å; L391-F441 HydrophobicContact CD2-CD1 3.42Å; L391-F441 VanDerWaalsContact CD2-CD1 3.42Å; L391-F441 HydrophobicContact CD2-CD2 4.26Å; L391-F441 HydrophobicContact CD2-CE1 3.62Å; L391-F441 HydrophobicContact CD2-CE2 4.43Å; L391-F441 HydrophobicContact CD2-CG 3.75Å; L391-F441 HydrophobicContact CD2-CZ 4.13Å; L391-A444 HydrophobicContact CB-CB 4.02Å; L391-A444 HydrophobicContact CD2-CB 3.62Å; L391-A444 HydrophobicContact CG-CB 3.86Å
392V98.9Very high98.6Very high0 Ų023.6 Ų23.60%015%0.152CC..Hα-helixtrans-64.4-48.4174.8170.70000111A388 A389 A390 N395 G396 G397 M401 A402 A405 A444 A447 L448A388-V392 WeakPolarHBondContact O-CG2 3.47Å; A388-V392 PolarHBondContact O-N 3.17Å; A388-V392 VanDerWaalsContact O-N 3.09Å; A389-V392 PolarHBondContact O-N 2.9Å; A390-V392 VanDerWaalsContact C-N 3.34Å; A390-V392 PolarHBondContact O-N 2.61Å; V392-N395 CarbonylContact O-C 3.54Å; V392-N395 PolarHBondContact O-N 2.68Å; V392-G396 PolarHBondContact O-N 3.07Å; V392-G397 WeakPolarHBondContact O-CA 3.32Å; V392-G397 PolarHBondContact O-N 2.93Å; V392-M401 HydrophobicContact CG1-CB 3.64Å; V392-A402 HydrophobicContact CB-CB 4.13Å; V392-A402 HydrophobicContact CG1-CB 4.19Å; V392-A405 HydrophobicContact CG2-CB 3.63Å; V392-A444 HydrophobicContact CG2-CB 3.74Å; V392-A447 HydrophobicContact CG2-CB 4.12Å; V392-L448 HydrophobicContact CG1-CD2 4.06Å; V392-L448 HydrophobicContact CG1-CG 4.36Å; V392-L448 HydrophobicContact CG2-CG 4.3Å
393T98.5Very high98.6Very high27 Ų2723.8 Ų23.817%0.16615%0.154CC..Hα-helixtrans-65.6-42.6-17956.70000111.4V229 T355 A389 A390 N395 G396 A402V229-T393 HydrophobicContact CG2-CG2 4.35Å; T355-T393 HydrophobicContact CG2-CG2 4.16Å; A389-T393 PolarHBondContact O-N 2.6Å; A390-T393 PolarHBondContact O-N 3.23Å; A390-T393 PolarHBondContact O-OG1 3.17Å; T393-N395 PolarHBondContact O-N 2.97Å; T393-G396 PolarHBondContact O-N 3.11Å; T393-A402 HydrophobicContact CG2-CB 3.84Å
394A98.6Very high98.7Very high30 Ų3025 Ų2525%0.24816%0.16CC..Hα-helixtrans-63.6-25.1176.800000113.5L342 L344 F352 A390 G396L342-A394 HydrophobicContact CD1-CB 4.28Å; L344-A394 HydrophobicContact CD2-CB 4.43Å; F352-A394 HydrophobicContact CD2-CB 3.72Å; F352-A394 HydrophobicContact CE2-CB 4.23Å; A390-A394 VanDerWaalsContact O-CB 3.29Å; A390-A394 WeakPolarHBondContact O-CB 3.28Å; A390-A394 PolarHBondContact O-N 2.98Å; A394-G396 VanDerWaalsContact C-N 3.32Å
395N98.4Very high98.7Very high77 Ų7725 Ų2541%0.41216%0.16SC..THydrogen-bonded Turntrans-95.524.1173.7-159.719.1000112.8L342 L391 V392 T393 G397 L448L342-N395 HydrophobicContact CD1-CB 4.17Å; L342-N395 HydrophobicContact CD2-CB 4.36Å; L342-N395 WeakPolarHBondContact CD2-OD1 3.39Å; L391-N395 WeakPolarHBondContact O-CB 3.37Å; L391-N395 PolarHBondContact O-N 2.95Å; L391-N395 VanDerWaalsContact O-N 3.13Å; V392-N395 CarbonylContact O-C 3.54Å; V392-N395 PolarHBondContact O-N 2.68Å; T393-N395 PolarHBondContact O-N 2.97Å; N395-G397 VanDerWaalsContact C-N 3.34Å; N395-G397 PolarHBondContact O-N 3.22Å; N395-L448 HydrophobicContact CB-CD1 3.98Å; N395-L448 VanDerWaalsContact ND2-CD1 3.34Å; N395-L448 WeakPolarHBondContact ND2-CD1 3.42Å
396G97.6Very high98.7Very high73 Ų7325 Ų2575%0.75316%0.16SC*.THydrogen-bonded Turntrans77.212174.200000115.5V392 T393 A394V392-G396 PolarHBondContact O-N 3.07Å; T393-G396 PolarHBondContact O-N 3.11Å; A394-G396 VanDerWaalsContact C-N 3.32Å
397G98.4Very high98.7Very high12 Ų1225 Ų2512%0.12416%0.16CC..  trans-76.1156.5173.300000112.7V392 N395V392-G397 WeakPolarHBondContact O-CA 3.32Å; V392-G397 PolarHBondContact O-N 2.93Å; N395-G397 VanDerWaalsContact C-N 3.34Å; N395-G397 PolarHBondContact O-N 3.22Å
398T98.4Very high98.7Very high73 Ų7325.3 Ų25.345%0.44816%0.161SC..  trans-77.3159.2178.261.30000112E400 M401 A402T398-E400 PolarHBondContact O-N 3.28Å; T398-M401 HydrophobicContact CG2-SD 4.34Å; T398-M401 WeakPolarHBondContact O-CA 3.49Å; T398-M401 WeakPolarHBondContact O-CB 3.5Å; T398-M401 PolarHBondContact O-N 2.92Å; T398-M401 VanDerWaalsContact OG1-CG 3.3Å; T398-M401 WeakPolarHBondContact OG1-CG 3.46Å; T398-M401 PolarHBondContact OG1-N 3.24Å; T398-M401 PolarHBondContact OG1-SD 3.49Å; T398-A402 PolarHBondContact O-N 3.42Å
399P98.5Very high98.6Very high37 Ų3725.3 Ų25.324%0.2416%0.161CC..Hα-helixtrans-53.2-35.5171.3-27.735.6000113.1V220 A223 V229 M401 A402 A403V220-P399 HydrophobicContact CB-CB 4.43Å; V220-P399 HydrophobicContact CG1-CB 4.23Å; V220-P399 HydrophobicContact CG2-CB 4.14Å; A223-P399 HydrophobicContact CB-CB 4.26Å; A223-P399 HydrophobicContact CB-CG 3.95Å; V229-P399 HydrophobicContact CG2-CB 4.12Å; V229-P399 HydrophobicContact CG2-CG 3.9Å; P399-M401 VanDerWaalsContact C-N 3.35Å; P399-M401 PolarHBondContact O-N 3.24Å; P399-A402 WeakPolarHBondContact O-CB 3.27Å; P399-A402 PolarHBondContact O-N 3.39Å; P399-A403 WeakPolarHBondContact O-CB 3.43Å; P399-A403 PolarHBondContact O-N 2.87Å
400E98.5Very high98.6Very high106 Ų10625.3 Ų25.350%0.49516%0.161SC..Hα-helixtrans-60-43173.8-141.681.9-15300112.1V220 T398 A403 N404V220-E400 WeakPolarHBondContact CG1-OE2 2.99Å; T398-E400 PolarHBondContact O-N 3.28Å; E400-A403 PolarHBondContact O-N 3.09Å; E400-N404 PolarHBondContact O-N 3.34Å; E400-N404 VanDerWaalsContact O-N 3.1Å; E400-N404 PolarHBondContact O-ND2 2.86Å
401M98.7Very high98.6Very high50 Ų5029.1 Ų29.125%0.24618%0.178CC..Hα-helixtrans-68.6-38.2176.7-66162.770.600110.8V392 T398 P399 A403 N404 A405 A447 L448V392-M401 HydrophobicContact CG1-CB 3.64Å; T398-M401 HydrophobicContact CG2-SD 4.34Å; T398-M401 WeakPolarHBondContact O-CA 3.49Å; T398-M401 WeakPolarHBondContact O-CB 3.5Å; T398-M401 PolarHBondContact O-N 2.92Å; T398-M401 VanDerWaalsContact OG1-CG 3.3Å; T398-M401 WeakPolarHBondContact OG1-CG 3.46Å; T398-M401 PolarHBondContact OG1-N 3.24Å; T398-M401 PolarHBondContact OG1-SD 3.49Å; P399-M401 VanDerWaalsContact C-N 3.35Å; P399-M401 PolarHBondContact O-N 3.24Å; M401-A403 VanDerWaalsContact C-N 3.33Å; M401-A403 PolarHBondContact O-N 3.3Å; M401-N404 WeakPolarHBondContact O-CB 3.15Å; M401-N404 PolarHBondContact O-N 3.03Å; M401-N404 VanDerWaalsContact O-N 3.15Å; M401-A405 PolarHBondContact O-N 3.2Å; M401-A447 WeakPolarHBondContact CE-O 3.41Å; M401-A447 WeakPolarHBondContact O-CB 3.12Å; M401-L448 HydrophobicContact CE-CB 4.46Å; M401-L448 HydrophobicContact CE-CD2 3.89Å
402A98.8Very high98.6Very high0 Ų034.1 Ų34.10%021%0.205CC..Hα-helixtrans-60.9-43.3175.200000111.5F359 A389 V392 T393 T398 P399 N404 A405 L406F359-A402 HydrophobicContact CE2-CB 4Å; F359-A402 HydrophobicContact CZ-CB 3.74Å; A389-A402 HydrophobicContact CB-CB 4.05Å; A389-A402 WeakPolarHBondContact O-CB 3.33Å; V392-A402 HydrophobicContact CB-CB 4.13Å; V392-A402 HydrophobicContact CG1-CB 4.19Å; T393-A402 HydrophobicContact CG2-CB 3.84Å; T398-A402 PolarHBondContact O-N 3.42Å; P399-A402 WeakPolarHBondContact O-CB 3.27Å; P399-A402 PolarHBondContact O-N 3.39Å; A402-N404 VanDerWaalsContact C-N 3.31Å; A402-N404 PolarHBondContact O-N 2.66Å; A402-A405 WeakPolarHBondContact O-CB 2.92Å; A402-A405 PolarHBondContact O-N 2.94Å; A402-A405 VanDerWaalsContact O-N 3.15Å; A402-L406 PolarHBondContact O-N 3.15Å
403A98.8Very high98.5Very high5 Ų534.7 Ų34.74%0.04121%0.208CC..Hα-helixtrans-62.4-36.2174.100000112.5I216 V220 F359 P399 E400 M401 L406 A407 P457I216-A403 HydrophobicContact CG2-CB 3.56Å; V220-A403 HydrophobicContact CG2-CB 3.85Å; F359-A403 HydrophobicContact CE1-CB 4.34Å; P399-A403 WeakPolarHBondContact O-CB 3.43Å; P399-A403 PolarHBondContact O-N 2.87Å; E400-A403 PolarHBondContact O-N 3.09Å; M401-A403 VanDerWaalsContact C-N 3.33Å; M401-A403 PolarHBondContact O-N 3.3Å; A403-L406 PolarHBondContact O-N 3.22Å; A403-A407 WeakPolarHBondContact O-CB 3.47Å; A403-A407 PolarHBondContact O-N 3.28Å; A403-P457 HydrophobicContact CB-CB 4.45Å; A403-P457 HydrophobicContact CB-CG 3.86Å; A403-P457 WeakPolarHBondContact O-CG 3.15Å
404N98.8Very high98.4Very high24 Ų2436.3 Ų36.313%0.12822%0.215CC..Hα-helixtrans-64.5-43.1172-79.9-81.7000112.1E400 M401 A402 A407 I408 A447 R452 S453E400-N404 PolarHBondContact O-N 3.34Å; E400-N404 VanDerWaalsContact O-N 3.1Å; E400-N404 PolarHBondContact O-ND2 2.86Å; M401-N404 WeakPolarHBondContact O-CB 3.15Å; M401-N404 PolarHBondContact O-N 3.03Å; M401-N404 VanDerWaalsContact O-N 3.15Å; A402-N404 VanDerWaalsContact C-N 3.31Å; A402-N404 PolarHBondContact O-N 2.66Å; N404-A407 PolarHBondContact O-N 3.48Å; N404-I408 WeakPolarHBondContact O-CB 3.32Å; N404-I408 WeakPolarHBondContact O-CD1 3.01Å; N404-I408 VanDerWaalsContact O-CG1 3.23Å; N404-I408 WeakPolarHBondContact O-CG1 3.44Å; N404-I408 PolarHBondContact O-N 3.44Å; N404-A447 HydrophobicContact CB-CB 4.32Å; N404-R452 WeakPolarHBondContact OD1-CA 3.5Å; N404-S453 PolarHBondContact OD1-N 3.41Å
405A98.9Very high98.4Very high0 Ų036.5 Ų36.50%022%0.22CC..Hα-helixtrans-62.6-41.6176.600000112.1A388 V392 M401 A402 I408 T409 A447A388-A405 HydrophobicContact CB-CB 4.06Å; V392-A405 HydrophobicContact CG2-CB 3.63Å; M401-A405 PolarHBondContact O-N 3.2Å; A402-A405 WeakPolarHBondContact O-CB 2.92Å; A402-A405 PolarHBondContact O-N 2.94Å; A402-A405 VanDerWaalsContact O-N 3.15Å; A405-I408 PolarHBondContact O-N 3.23Å; A405-T409 WeakPolarHBondContact O-CB 3.47Å; A405-T409 PolarHBondContact O-N 3.07Å; A405-T409 PolarHBondContact O-OG1 3.02Å; A405-A447 HydrophobicContact CB-CB 3.73Å
406L98.8Very high98.3Very high0 Ų035.6 Ų35.60%022%0.215CC..Hα-helixtrans-56.6-52.6172.8-180155.7000110.6I216 F359 M363 A385 A389 A402 A403 I408 T409 L410 P457 V461I216-L406 HydrophobicContact CD1-CD1 3.84Å; F359-L406 HydrophobicContact CB-CD1 4.01Å; F359-L406 HydrophobicContact CD1-CD1 3.5Å; F359-L406 VanDerWaalsContact CD1-CD1 3.5Å; F359-L406 HydrophobicContact CE1-CD1 4.34Å; F359-L406 HydrophobicContact CG-CD1 4.12Å; M363-L406 HydrophobicContact CE-CD1 4.43Å; M363-L406 HydrophobicContact CG-CD1 4.29Å; M363-L406 HydrophobicContact SD-CD1 3.91Å; M363-L406 HydrophobicContact SD-CD2 4.34Å; M363-L406 HydrophobicContact SD-CG 4.12Å; A385-L406 HydrophobicContact CB-CG 4.04Å; A389-L406 HydrophobicContact CB-CB 4.45Å; A402-L406 PolarHBondContact O-N 3.15Å; A403-L406 PolarHBondContact O-N 3.22Å; L406-I408 PolarHBondContact O-N 2.96Å; L406-T409 WeakPolarHBondContact O-CB 3.3Å; L406-T409 PolarHBondContact O-N 2.83Å; L406-L410 HydrophobicContact CD2-CD1 3.65Å; L406-L410 HydrophobicContact CD2-CG 4.27Å; L406-L410 HydrophobicContact CG-CD1 4.44Å; L406-L410 WeakPolarHBondContact O-CG 3.16Å; L406-L410 PolarHBondContact O-N 3.26Å; L406-P457 HydrophobicContact CD2-CB 4.42Å; L406-V461 HydrophobicContact CD2-CG2 4.11Å
407A98.8Very high98.4Very high0 Ų034.1 Ų34.10%019%0.189CC..Hα-helixtrans-62.8-41.6-178.800000112.8A403 N404 K411 P457 V460A403-A407 WeakPolarHBondContact O-CB 3.47Å; A403-A407 PolarHBondContact O-N 3.28Å; N404-A407 PolarHBondContact O-N 3.48Å; A407-K411 VanDerWaalsContact O-CE 3.25Å; A407-K411 WeakPolarHBondContact O-CE 3.24Å; A407-K411 WeakPolarHBondContact O-CG 3.48Å; A407-K411 PolarHBondContact O-N 3.43Å; A407-K411 VanDerWaalsContact O-N 3.13Å; A407-P457 HydrophobicContact CB-CB 4.09Å; A407-P457 HydrophobicContact CB-CG 4.05Å; A407-V460 HydrophobicContact CB-CB 4.47Å; A407-V460 HydrophobicContact CB-CG2 4.16Å
408I98.8Very high98.3Very high7 Ų733.7 Ų33.74%0.03618%0.184CC..Hα-helixtrans-61.9-45.1174.9-70.7165.1000110.4N404 A405 L406 N412 M446 I451N404-I408 WeakPolarHBondContact O-CB 3.32Å; N404-I408 WeakPolarHBondContact O-CD1 3.01Å; N404-I408 VanDerWaalsContact O-CG1 3.23Å; N404-I408 WeakPolarHBondContact O-CG1 3.44Å; N404-I408 PolarHBondContact O-N 3.44Å; A405-I408 PolarHBondContact O-N 3.23Å; L406-I408 PolarHBondContact O-N 2.96Å; I408-N412 PolarHBondContact O-N 3.03Å; I408-N412 PolarHBondContact O-ND2 3.23Å; I408-M446 HydrophobicContact CD1-CB 4.3Å; I408-M446 HydrophobicContact CG2-CE 4.2Å; I408-M446 HydrophobicContact CG2-SD 4.06Å; I408-I451 HydrophobicContact CD1-CG2 4.44Å
409T98.8Very high98.2Very high0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-59.5-54.6179-55.30000110.7A385 A388 A405 L406 K411 N412 V413 Q439 S443A385-T409 HydrophobicContact CB-CG2 3.93Å; A388-T409 WeakPolarHBondContact CB-OG1 3.42Å; A405-T409 WeakPolarHBondContact O-CB 3.47Å; A405-T409 PolarHBondContact O-N 3.07Å; A405-T409 PolarHBondContact O-OG1 3.02Å; L406-T409 WeakPolarHBondContact O-CB 3.3Å; L406-T409 PolarHBondContact O-N 2.83Å; T409-K411 PolarHBondContact O-N 3.27Å; T409-N412 PolarHBondContact O-N 3.37Å; T409-V413 PolarHBondContact O-N 3.11Å; T409-Q439 HydrophobicContact CG2-CG 4.33Å; T409-Q439 PolarHBondContact O-NE2 2.82Å; T409-Q439 VanDerWaalsContact O-NE2 3.14Å; T409-S443 WeakPolarHBondContact OG1-CB 3.43Å; T409-S443 PolarHBondContact OG1-OG 3.41Å; T409-S443 VanDerWaalsContact OG1-OG 3.09Å
410L98.6Very high98.1Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-59.3-43.1-176.7-70.6-174.5000112.7M363 A385 L406 N412 V413 M414 V460 V461 M464M363-L410 HydrophobicContact SD-CD1 3.99Å; M363-L410 HydrophobicContact SD-CD2 4.33Å; A385-L410 HydrophobicContact CB-CD2 3.55Å; A385-L410 HydrophobicContact CB-CG 3.71Å; L406-L410 HydrophobicContact CD2-CD1 3.65Å; L406-L410 HydrophobicContact CD2-CG 4.27Å; L406-L410 HydrophobicContact CG-CD1 4.44Å; L406-L410 WeakPolarHBondContact O-CG 3.16Å; L406-L410 PolarHBondContact O-N 3.26Å; L410-N412 PolarHBondContact O-N 2.85Å; L410-V413 HydrophobicContact CD2-CG2 4.43Å; L410-V413 WeakPolarHBondContact O-CG2 3.24Å; L410-V413 PolarHBondContact O-N 2.91Å; L410-M414 WeakPolarHBondContact O-CB 3.12Å; L410-M414 PolarHBondContact O-N 2.96Å; L410-V460 HydrophobicContact CB-CG1 3.53Å; L410-V460 HydrophobicContact CD1-CG1 4.21Å; L410-V461 HydrophobicContact CD1-CG2 3.75Å; L410-M464 HydrophobicContact CD2-SD 3.73Å
411K98.3Very high98.1Very high81 Ų8124.2 Ų24.235%0.35213%0.132SC..Hα-helixtrans-60.5-30.5176.9-74.3-179.8-58-1710113.4A407 T409 S453 V460A407-K411 VanDerWaalsContact O-CE 3.25Å; A407-K411 WeakPolarHBondContact O-CE 3.24Å; A407-K411 WeakPolarHBondContact O-CG 3.48Å; A407-K411 PolarHBondContact O-N 3.43Å; A407-K411 VanDerWaalsContact O-N 3.13Å; T409-K411 PolarHBondContact O-N 3.27Å; K411-S453 PolarHBondContact NZ-OG 3.28Å; K411-V460 HydrophobicContact CD-CG2 3.97Å; K411-V460 HydrophobicContact CG-CG1 3.77Å; K411-V460 HydrophobicContact CG-CG2 3.93Å
412N97.9Very high97.8Very high115 Ų11522.1 Ų22.162%0.61512%0.123SC*.Hα-helixtrans-88.6-14.4-178-77.5-75.6000113.6I408 T409 L410I408-N412 PolarHBondContact O-N 3.03Å; I408-N412 PolarHBondContact O-ND2 3.23Å; T409-N412 PolarHBondContact O-N 3.37Å; L410-N412 PolarHBondContact O-N 2.85Å
413V97.1Very high97.5Very high11 Ų1122.1 Ų22.17%0.06712%0.124CC..Hα-helixtrans-103.5-5.7171.2-61.70000113.5Q377 T409 L410 G415 L416 Q439Q377-V413 WeakPolarHBondContact CB-O 3.35Å; T409-V413 PolarHBondContact O-N 3.11Å; L410-V413 HydrophobicContact CD2-CG2 4.43Å; L410-V413 WeakPolarHBondContact O-CG2 3.24Å; L410-V413 PolarHBondContact O-N 2.91Å; V413-G415 PolarHBondContact O-N 2.72Å; V413-L416 WeakPolarHBondContact O-CB 3.08Å; V413-L416 PolarHBondContact O-N 3.36Å; V413-Q439 VanDerWaalsContact CG1-NE2 3.28Å
414M97.2Very high97.3Very high61 Ų6122.5 Ų22.530%0.313%0.125SC..THydrogen-bonded Turntrans-58131.4-175.1-166168.1-6900111.5L410 V460 A463 M464 V467L410-M414 WeakPolarHBondContact O-CB 3.12Å; L410-M414 PolarHBondContact O-N 2.96Å; M414-V460 HydrophobicContact CE-CG1 4.17Å; M414-A463 HydrophobicContact CE-CB 3.89Å; M414-A463 HydrophobicContact SD-CB 4.26Å; M414-M464 HydrophobicContact CE-CB 4.15Å; M414-V467 HydrophobicContact CG-CB 4.28Å; M414-V467 HydrophobicContact CG-CG1 4.25Å; M414-V467 HydrophobicContact CG-CG2 3.98Å; M414-V467 HydrophobicContact SD-CG2 3.94Å
415G97.5Very high97.1Very high35 Ų3521.6 Ų21.636%0.36112%0.12SC..THydrogen-bonded Turntrans84.34-175.100000115V413 I417V413-G415 PolarHBondContact O-N 2.72Å; G415-I417 PolarHBondContact O-N 3.33Å; G415-I417 VanDerWaalsContact O-N 3.08Å
416L98.1Very high97Very high58 Ų5821.9 Ų21.930%0.30412%0.121SC..  trans-64.4109.8174.8-174.367.8000111G375 C376 Q377 V413G375-L416 CarbonylContact C-O 3.56Å; C376-L416 HydrophobicContact CB-CD2 3.82Å; C376-L416 HydrophobicContact CB-CG 3.89Å; C376-L416 PolarHBondContact N-O 2.79Å; Q377-L416 HydrophobicContact CB-CB 4.17Å; Q377-L416 PolarHBondContact N-O 3.11Å; V413-L416 WeakPolarHBondContact O-CB 3.08Å; V413-L416 PolarHBondContact O-N 3.36Å
417I98Very high97Very high41 Ų4124.1 Ų24.121%0.2114%0.135CC..  trans-72.1159.5-179.464.4171.5000112.6C376 G415 D419 R432 M471 F475C376-I417 WeakPolarHBondContact CB-O 3.44Å; G415-I417 PolarHBondContact O-N 3.33Å; G415-I417 VanDerWaalsContact O-N 3.08Å; I417-D419 HydrophobicContact CD1-CB 4.16Å; I417-D419 HydrophobicContact CG1-CB 4.5Å; I417-R432 PolarHBondContact O-NH1 3.02Å; I417-R432 PolarHBondContact O-NH2 3.3Å; I417-M471 HydrophobicContact CB-SD 4.4Å; I417-M471 HydrophobicContact CG2-CE 4.22Å; I417-M471 HydrophobicContact CG2-SD 4.04Å; I417-F475 HydrophobicContact CB-CB 3.83Å; I417-F475 HydrophobicContact CB-CG 4.26Å; I417-F475 HydrophobicContact CD1-CD1 3.9Å; I417-F475 HydrophobicContact CD1-CE1 4.34Å; I417-F475 HydrophobicContact CD1-CG 4.36Å; I417-F475 HydrophobicContact CG2-CB 3.67Å; I417-F475 HydrophobicContact CG2-CD1 4.45Å; I417-F475 HydrophobicContact CG2-CD2 4.13Å; I417-F475 HydrophobicContact CG2-CG 3.85Å
418C97Very high96.9Very high4 Ų425.3 Ų25.33%0.02714%0.142CC..BIsolated β-bridgetrans-108.3107.3168.9-173.10000110.9C376 P420 F475 E477C376-C418 VanDerWaalsContact SG-SG 3.67Å; C418-P420 VanDerWaalsContact C-CD 3.5Å; C418-F475 PolarHBondContact N-O 2.93Å; C418-F475 CarbonylContact O-C 3.43Å; C418-F475 VanDerWaalsContact O-C 3.27Å; C418-E477 HydrophobicContact CB-CB 4.4Å; C418-E477 PolarHBondContact O-N 3.03Å; C418-E477 VanDerWaalsContact O-N 3.08Å
419D97Very high96.8Very high7 Ų725.3 Ų25.34%0.03714%0.143CC..  trans-130.462.1-172.455.8-21.6000112I417 V421 R432 G481 G482 V483I417-D419 HydrophobicContact CD1-CB 4.16Å; I417-D419 HydrophobicContact CG1-CB 4.5Å; D419-V421 PolarHBondContact O-N 2.88Å; D419-R432 IonicContact OD1-CZ 2.99Å; D419-R432 IonicContact OD1-NH1 2.84Å; D419-R432 PolarHBondContact OD1-NH1 2.9Å; D419-R432 IonicContact OD1-NH2 2.65Å; D419-R432 PolarHBondContact OD1-NH2 3.27Å; D419-G481 WeakPolarHBondContact CB-O 2.84Å; D419-G482 WeakPolarHBondContact OD2-CA 3.43Å; D419-V483 WeakPolarHBondContact O-CG2 3.45Å; D419-V483 WeakPolarHBondContact OD2-CG2 3.12Å; D419-V483 PolarHBondContact OD2-N 2.88Å
420P96.5Very high96.7Very high1 Ų125.3 Ų25.31%0.00614%0.143CC..  trans-67.8122.5-173.627.6-33.7000111.5C418 A422 G423 L424 V427 A479 A484C418-P420 VanDerWaalsContact C-CD 3.5Å; P420-A422 PolarHBondContact O-N 3.2Å; P420-G423 PolarHBondContact O-N 3.27Å; P420-L424 WeakPolarHBondContact CB-O 3.16Å; P420-V427 WeakPolarHBondContact CA-O 3.4Å; P420-A479 HydrophobicContact CG-CB 4.25Å; P420-A479 WeakPolarHBondContact O-CB 3.46Å; P420-A484 WeakPolarHBondContact O-CB 3.34Å
421V96.8Very high96.7Very high8 Ų829.3 Ų29.35%0.04816%0.161CC..G310 helixtrans-61.2125175.7175.40000109D419 G423 L424 V427 V483 L492D419-V421 PolarHBondContact O-N 2.88Å; V421-G423 PolarHBondContact O-N 3.25Å; V421-G423 VanDerWaalsContact O-N 3.11Å; V421-L424 PolarHBondContact O-N 3.31Å; V421-L424 VanDerWaalsContact O-N 3.14Å; V421-V427 HydrophobicContact CB-CB 4.06Å; V421-V427 HydrophobicContact CB-CG1 4.42Å; V421-V427 HydrophobicContact CG2-CB 3.88Å; V421-V427 HydrophobicContact CG2-CG1 3.69Å; V421-V427 PolarHBondContact N-O 2.88Å; V421-V483 HydrophobicContact CG2-CG2 3.94Å; V421-L492 HydrophobicContact CG1-CB 4.07Å; V421-L492 HydrophobicContact CG1-CD1 4.07Å
422A93.4Very high96.7Very high6 Ų627 Ų275%0.0515%0.15CC..G310 helixtrans57.518.7-176.200000114P420 L424 Q493 F497P420-A422 PolarHBondContact O-N 3.2Å; A422-L424 HydrophobicContact CB-CD1 3.98Å; A422-L424 HydrophobicContact CB-CG 4.21Å; A422-L424 PolarHBondContact O-N 3.27Å; A422-Q493 HydrophobicContact CB-CB 3.75Å; A422-Q493 HydrophobicContact CB-CG 3.99Å; A422-F497 HydrophobicContact CB-CD2 4.48Å; A422-F497 HydrophobicContact CB-CE2 3.94Å; A422-F497 VanDerWaalsContact O-CE2 3.24Å; A422-F497 WeakPolarHBondContact O-CE2 3.28Å
423G92.7Very high96.7Very high1 Ų121.5 Ų21.51%0.0112%0.12CC..G310 helixtrans67.322.8-175.900000113.9G60 H61 P420 V421G60-G423 CarbonylContact C-O 3.46Å; G60-G423 VanDerWaalsContact CA-O 3.25Å; G60-G423 WeakPolarHBondContact CA-O 3.49Å; H61-G423 PolarHBondContact N-O 2.87Å; H61-G423 PolarHBondContact ND1-O 3.42Å; P420-G423 PolarHBondContact O-N 3.27Å; V421-G423 PolarHBondContact O-N 3.25Å; V421-G423 VanDerWaalsContact O-N 3.11Å
424L95.1Very high96.8Very high13 Ų1321.2 Ų21.27%0.06812%0.119CC..  trans-98.3146.9178.5-60.8164000110.9T274 I276 P420 V421 A422 E426 V496 F497T274-L424 HydrophobicContact CG2-CD1 3.77Å; T274-L424 HydrophobicContact CG2-CD2 3.93Å; I276-L424 HydrophobicContact CD1-CD1 3.87Å; P420-L424 WeakPolarHBondContact CB-O 3.16Å; V421-L424 PolarHBondContact O-N 3.31Å; V421-L424 VanDerWaalsContact O-N 3.14Å; A422-L424 HydrophobicContact CB-CD1 3.98Å; A422-L424 HydrophobicContact CB-CG 4.21Å; A422-L424 PolarHBondContact O-N 3.27Å; L424-E426 HydrophobicContact CB-CB 4.15Å; L424-E426 HydrophobicContact CB-CG 4.08Å; L424-E426 PolarHBondContact O-N 3.01Å; L424-V496 HydrophobicContact CD1-CG2 4.37Å; L424-F497 HydrophobicContact CD2-CZ 4.31Å
425V95Very high96.9Very high5 Ų524.1 Ų24.13%0.0313%0.134CC..SBendtrans-81.151.6171.5-163.10000111.2P20 H61 N310 C429P20-V425 HydrophobicContact CB-CB 3.86Å; P20-V425 HydrophobicContact CB-CG2 3.7Å; P20-V425 HydrophobicContact CG-CG2 4.14Å; P20-V425 WeakPolarHBondContact O-CG2 3.33Å; H61-V425 WeakPolarHBondContact CD2-CG2 3.45Å; N310-V425 PolarHBondContact ND2-O 3.42Å; V425-C429 HydrophobicContact CG1-CB 3.8Å
426E96.5Very high96.9Very high6 Ų622.6 Ų22.63%0.02812%0.118CC..SBendtrans-122.7-65.6-175.1-71.1-163.8-133.600110.6S272 T274 T277 A314 L424 C429 V430S272-E426 WeakPolarHBondContact CB-OE1 3.37Å; S272-E426 WeakPolarHBondContact CB-OE2 3.42Å; S272-E426 PolarHBondContact OG-OE1 2.97Å; S272-E426 PolarHBondContact OG-OE2 3.38Å; T274-E426 WeakPolarHBondContact CG2-OE1 3.36Å; T274-E426 VanDerWaalsContact OG1-CD 3.26Å; T274-E426 PolarHBondContact OG1-OE1 3.4Å; T274-E426 PolarHBondContact OG1-OE2 3.14Å; T277-E426 HydrophobicContact CG2-CB 3.86Å; T277-E426 PolarHBondContact N-OE2 2.83Å; T277-E426 VanDerWaalsContact N-OE2 3.07Å; T277-E426 PolarHBondContact OG1-OE2 2.71Å; A314-E426 HydrophobicContact CB-CG 3.8Å; L424-E426 HydrophobicContact CB-CB 4.15Å; L424-E426 HydrophobicContact CB-CG 4.08Å; L424-E426 PolarHBondContact O-N 3.01Å; E426-C429 PolarHBondContact O-N 3.15Å; E426-V430 WeakPolarHBondContact O-CB 3.29Å; E426-V430 VanDerWaalsContact O-CG2 3.28Å; E426-V430 WeakPolarHBondContact O-CG2 3.49Å; E426-V430 PolarHBondContact O-N 2.8Å
427V97.4Very high97Very high47 Ų4719.8 Ų19.829%0.28510%0.103SC..THydrogen-bonded Turntrans-117.4124.1-178.1-178.30000108.7I276 T277 P420 V421I276-V427 HydrophobicContact CG2-CG2 3.82Å; T277-V427 HydrophobicContact CG2-CG2 3.58Å; P420-V427 WeakPolarHBondContact CA-O 3.4Å; V421-V427 HydrophobicContact CB-CB 4.06Å; V421-V427 HydrophobicContact CB-CG1 4.42Å; V421-V427 HydrophobicContact CG2-CB 3.88Å; V421-V427 HydrophobicContact CG2-CG1 3.69Å; V421-V427 PolarHBondContact N-O 2.88Å
428P97Very high97Very high24 Ų2418.7 Ų18.716%0.15610%0.099CC..THydrogen-bonded Turncis-88.67.10.535.9-37000114.7V430 K431 R432 V483P428-V430 PolarHBondContact O-N 3.43Å; P428-K431 PolarHBondContact O-N 2.91Å; P428-R432 HydrophobicContact CB-CG 4.3Å; P428-R432 HydrophobicContact CG-CG 4.36Å; P428-R432 VanDerWaalsContact CG-NH1 3.33Å; P428-R432 PolarHBondContact O-N 2.86Å; P428-V483 HydrophobicContact CG-CG2 4.3Å
429C97.1Very high97.1Very high8 Ų820.6 Ų20.65%0.05411%0.107CC..Hα-helixtrans-51.5-45-168.7-57.30000114.4V425 E426 K431 R432 N433V425-C429 HydrophobicContact CG1-CB 3.8Å; E426-C429 PolarHBondContact O-N 3.15Å; C429-K431 VanDerWaalsContact C-N 3.29Å; C429-K431 PolarHBondContact O-N 2.78Å; C429-R432 PolarHBondContact O-N 2.84Å; C429-R432 VanDerWaalsContact O-N 3.16Å; C429-N433 PolarHBondContact O-N 3.43Å; C429-N433 PolarHBondContact O-ND2 2.83Å
430V97.6Very high97.1Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-57.6-43.7-180175.10000111.3T277 I307 N310 E311 E426 P428 A434T277-V430 HydrophobicContact CG2-CG2 4.33Å; I307-V430 HydrophobicContact CB-CG1 4.26Å; I307-V430 HydrophobicContact CG1-CG1 4.25Å; I307-V430 HydrophobicContact CG2-CG1 3.76Å; N310-V430 HydrophobicContact CB-CG2 4.22Å; N310-V430 VanDerWaalsContact ND2-CA 3.27Å; N310-V430 WeakPolarHBondContact ND2-CA 3.5Å; N310-V430 WeakPolarHBondContact ND2-CG2 3.42Å; N310-V430 PolarHBondContact ND2-N 3.24Å; N310-V430 VanDerWaalsContact ND2-N 3.18Å; E311-V430 HydrophobicContact CG-CG1 4.17Å; E426-V430 WeakPolarHBondContact O-CB 3.29Å; E426-V430 VanDerWaalsContact O-CG2 3.28Å; E426-V430 WeakPolarHBondContact O-CG2 3.49Å; E426-V430 PolarHBondContact O-N 2.8Å; P428-V430 PolarHBondContact O-N 3.43Å; V430-A434 PolarHBondContact O-N 3.1Å
431K97.9Very high97.3Very high84 Ų8420.8 Ų20.837%0.36511%0.108SC..Hα-helixtrans-81.5-27-177.5-79.467.9-180175.90111.2D280 P428 C429 N433 A434 M435D280-K431 WeakPolarHBondContact OD2-CE 3.19Å; D280-K431 IonicContact OD2-NZ 3.73Å; D280-K431 PolarHBondContact OD2-NZ 2.92Å; P428-K431 PolarHBondContact O-N 2.91Å; C429-K431 VanDerWaalsContact C-N 3.29Å; C429-K431 PolarHBondContact O-N 2.78Å; K431-N433 VanDerWaalsContact C-N 3.32Å; K431-A434 WeakPolarHBondContact O-CB 3.47Å; K431-A434 PolarHBondContact O-N 3.47Å; K431-M435 WeakPolarHBondContact O-CG 3.36Å; K431-M435 PolarHBondContact O-N 3.44Å
432R98.4Very high97.3Very high31 Ų3124.5 Ų24.512%0.11713%0.126CC..Hα-helixtrans-62.9-38.2170.6-74-173.5166.9144.82.8111.8C376 V380 I417 D419 P428 C429 A434 M435 G436C376-R432 PolarHBondContact SG-NH1 3.22Å; V380-R432 HydrophobicContact CG1-CB 4.25Å; V380-R432 VanDerWaalsContact CG1-O 3.29Å; V380-R432 WeakPolarHBondContact CG1-O 3.41Å; V380-R432 HydrophobicContact CG2-CB 3.99Å; I417-R432 PolarHBondContact O-NH1 3.02Å; I417-R432 PolarHBondContact O-NH2 3.3Å; D419-R432 IonicContact OD1-CZ 2.99Å; D419-R432 IonicContact OD1-NH1 2.84Å; D419-R432 PolarHBondContact OD1-NH1 2.9Å; D419-R432 IonicContact OD1-NH2 2.65Å; D419-R432 PolarHBondContact OD1-NH2 3.27Å; P428-R432 HydrophobicContact CB-CG 4.3Å; P428-R432 HydrophobicContact CG-CG 4.36Å; P428-R432 VanDerWaalsContact CG-NH1 3.33Å; P428-R432 PolarHBondContact O-N 2.86Å; C429-R432 PolarHBondContact O-N 2.84Å; C429-R432 VanDerWaalsContact O-N 3.16Å; R432-A434 PolarHBondContact O-N 2.98Å; R432-M435 PolarHBondContact O-N 2.76Å; R432-G436 PolarHBondContact O-N 3.23Å
433N98.6Very high97.6Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-61-44.9173.6-80.1-99.2000111.7G306 N310 G326 S327 G329 V330 C429 K431 M435 G436 A437G306-N433 WeakPolarHBondContact O-CB 3.28Å; N310-N433 HydrophobicContact CB-CB 4.45Å; G326-N433 PolarHBondContact O-ND2 2.78Å; S327-N433 VanDerWaalsContact CA-OD1 3.27Å; S327-N433 WeakPolarHBondContact CA-OD1 3.3Å; S327-N433 PolarHBondContact O-OD1 2.96Å; S327-N433 VanDerWaalsContact O-OD1 3.13Å; G329-N433 WeakPolarHBondContact CA-OD1 3.4Å; G329-N433 PolarHBondContact N-OD1 2.92Å; V330-N433 HydrophobicContact CG2-CB 4.31Å; V330-N433 PolarHBondContact N-OD1 3.36Å; C429-N433 PolarHBondContact O-N 3.43Å; C429-N433 PolarHBondContact O-ND2 2.83Å; K431-N433 VanDerWaalsContact C-N 3.32Å; N433-M435 PolarHBondContact O-N 2.8Å; N433-G436 PolarHBondContact O-N 2.56Å; N433-A437 WeakPolarHBondContact O-CB 3.33Å; N433-A437 PolarHBondContact O-N 3.38Å
434A98.5Very high97.9Very high6 Ų624.3 Ų24.35%0.0513%0.125CC..Hα-helixtrans-57-48.5173.500000112.9V303 I307 V430 K431 R432 G436 A437 S438V303-A434 HydrophobicContact CB-CB 4.34Å; V303-A434 HydrophobicContact CG1-CB 3.76Å; V303-A434 HydrophobicContact CG2-CB 4.46Å; I307-A434 HydrophobicContact CD1-CB 4Å; I307-A434 HydrophobicContact CG1-CB 3.76Å; V430-A434 PolarHBondContact O-N 3.1Å; K431-A434 WeakPolarHBondContact O-CB 3.47Å; K431-A434 PolarHBondContact O-N 3.47Å; R432-A434 PolarHBondContact O-N 2.98Å; A434-G436 VanDerWaalsContact C-N 3.33Å; A434-A437 PolarHBondContact O-N 2.77Å; A434-S438 PolarHBondContact O-N 3.01Å; A434-S438 VanDerWaalsContact O-N 3.09Å
435M98.5Very high98.1Very high122 Ų12227.7 Ų27.760%0.60114%0.143SC*.Hα-helixtrans-67.2-36.5178.7-66.8-53.6-57.900112K431 R432 N433 S438 Q439K431-M435 WeakPolarHBondContact O-CG 3.36Å; K431-M435 PolarHBondContact O-N 3.44Å; R432-M435 PolarHBondContact O-N 2.76Å; N433-M435 PolarHBondContact O-N 2.8Å; M435-S438 PolarHBondContact O-N 2.77Å; M435-S438 PolarHBondContact O-OG 3.05Å; M435-Q439 VanDerWaalsContact O-CB 3.32Å; M435-Q439 WeakPolarHBondContact O-CB 3.23Å; M435-Q439 PolarHBondContact O-N 2.84Å
436G98.7Very high98.2Very high2 Ų230.4 Ų30.42%0.02116%0.156CC..Hα-helixtrans-65.1-42.4176.700000112.6S384 R432 N433 A434 Q439 A440S384-G436 WeakPolarHBondContact CB-O 3.3Å; S384-G436 WeakPolarHBondContact OG-CA 3.34Å; S384-G436 PolarHBondContact OG-O 3.33Å; R432-G436 PolarHBondContact O-N 3.23Å; N433-G436 PolarHBondContact O-N 2.56Å; A434-G436 VanDerWaalsContact C-N 3.33Å; G436-Q439 PolarHBondContact O-N 3.4Å; G436-A440 PolarHBondContact O-N 3.11Å; G436-A440 VanDerWaalsContact O-N 3.13Å
437A98.8Very high98.4Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-65.3-43176.300000111.6A302 V334 N433 A434 Q439 A440 F441A302-A437 HydrophobicContact CB-CB 4.11Å; V334-A437 HydrophobicContact CG2-CB 4Å; N433-A437 WeakPolarHBondContact O-CB 3.33Å; N433-A437 PolarHBondContact O-N 3.38Å; A434-A437 PolarHBondContact O-N 2.77Å; A437-Q439 PolarHBondContact O-N 2.94Å; A437-A440 PolarHBondContact O-N 3.24Å; A437-F441 WeakPolarHBondContact O-CD2 3.3Å; A437-F441 PolarHBondContact O-N 3.23Å
438S98.5Very high98.4Very high18 Ų1830.2 Ų30.213%0.12615%0.153CC..Hα-helixtrans-65.7-39.7178.368.70000112.5A434 M435 A440 F441 I442A434-S438 PolarHBondContact O-N 3.01Å; A434-S438 VanDerWaalsContact O-N 3.09Å; M435-S438 PolarHBondContact O-N 2.77Å; M435-S438 PolarHBondContact O-OG 3.05Å; S438-A440 VanDerWaalsContact C-N 3.31Å; S438-A440 PolarHBondContact O-N 3.49Å; S438-F441 PolarHBondContact O-N 3.31Å; S438-I442 WeakPolarHBondContact O-CG1 3.44Å; S438-I442 PolarHBondContact O-N 2.97Å
439Q98.3Very high98.5Very high43 Ų4332.9 Ų32.920%0.20118%0.177CC..Hα-helixtrans-66.1-32.3177.8-174.1171.5-10.400113.2T409 V413 M435 G436 A437 I442 S443T409-Q439 HydrophobicContact CG2-CG 4.33Å; T409-Q439 PolarHBondContact O-NE2 2.82Å; T409-Q439 VanDerWaalsContact O-NE2 3.14Å; V413-Q439 VanDerWaalsContact CG1-NE2 3.28Å; M435-Q439 VanDerWaalsContact O-CB 3.32Å; M435-Q439 WeakPolarHBondContact O-CB 3.23Å; M435-Q439 PolarHBondContact O-N 2.84Å; G436-Q439 PolarHBondContact O-N 3.4Å; A437-Q439 PolarHBondContact O-N 2.94Å; Q439-I442 PolarHBondContact O-N 3.06Å; Q439-S443 WeakPolarHBondContact O-CB 3.41Å; Q439-S443 PolarHBondContact O-N 3.27Å; Q439-S443 PolarHBondContact O-OG 3.02Å
440A98.8Very high98.6Very high0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-61.1-45.5175.200000111.6V334 S384 A388 G436 A437 S438 S443 A444V334-A440 HydrophobicContact CG2-CB 3.82Å; S384-A440 WeakPolarHBondContact O-CB 3.34Å; A388-A440 HydrophobicContact CB-CB 4.2Å; G436-A440 PolarHBondContact O-N 3.11Å; G436-A440 VanDerWaalsContact O-N 3.13Å; A437-A440 PolarHBondContact O-N 3.24Å; S438-A440 VanDerWaalsContact C-N 3.31Å; S438-A440 PolarHBondContact O-N 3.49Å; A440-S443 PolarHBondContact O-N 3.39Å; A440-A444 WeakPolarHBondContact O-CB 3.38Å; A440-A444 PolarHBondContact O-N 3.1Å
441F98.8Very high98.6Very high13 Ų1338.7 Ų38.76%0.05722%0.218CC..Hα-helixtrans-60.3-49.1174.3-85.7-85.7000112.5T298 I299 A302 V334 A337 A338 L391 A437 S438 S443 A444 D445T298-F441 HydrophobicContact CG2-CD1 4.31Å; T298-F441 HydrophobicContact CG2-CE1 3.54Å; T298-F441 HydrophobicContact CG2-CZ 3.79Å; I299-F441 HydrophobicContact CD1-CB 4.38Å; I299-F441 HydrophobicContact CG1-CB 3.94Å; I299-F441 HydrophobicContact CG1-CG 4.19Å; A302-F441 HydrophobicContact CB-CD2 3.92Å; A302-F441 HydrophobicContact CB-CE2 3.47Å; A302-F441 VanDerWaalsContact CB-CE2 3.47Å; A302-F441 HydrophobicContact CB-CZ 4.47Å; V334-F441 HydrophobicContact CB-CE2 4.16Å; V334-F441 HydrophobicContact CG1-CD2 4.39Å; V334-F441 HydrophobicContact CG1-CE2 3.82Å; V334-F441 HydrophobicContact CG1-CZ 4.17Å; V334-F441 HydrophobicContact CG2-CD2 4.32Å; V334-F441 HydrophobicContact CG2-CE2 4.1Å; A337-F441 HydrophobicContact CB-CE2 4.09Å; A337-F441 HydrophobicContact CB-CZ 3.87Å; A338-F441 HydrophobicContact CB-CZ 4.24Å; L391-F441 HydrophobicContact CD1-CE1 4.07Å; L391-F441 HydrophobicContact CD1-CZ 4.44Å; L391-F441 HydrophobicContact CD2-CB 4.3Å; L391-F441 HydrophobicContact CD2-CD1 3.42Å; L391-F441 VanDerWaalsContact CD2-CD1 3.42Å; L391-F441 HydrophobicContact CD2-CD2 4.26Å; L391-F441 HydrophobicContact CD2-CE1 3.62Å; L391-F441 HydrophobicContact CD2-CE2 4.43Å; L391-F441 HydrophobicContact CD2-CG 3.75Å; L391-F441 HydrophobicContact CD2-CZ 4.13Å; A437-F441 WeakPolarHBondContact O-CD2 3.3Å; A437-F441 PolarHBondContact O-N 3.23Å; S438-F441 PolarHBondContact O-N 3.31Å; F441-S443 VanDerWaalsContact C-N 3.32Å; F441-S443 PolarHBondContact O-N 3.27Å; F441-A444 PolarHBondContact O-N 3.02Å; F441-D445 PolarHBondContact O-N 3.39Å
442I98.6Very high98.6Very high85 Ų8544.3 Ų44.344%0.43624%0.238SC..Hα-helixtrans-61.3-42.9-179.1-62.1-58.4000111I299 S438 Q439 D445 M446I299-I442 HydrophobicContact CD1-CD1 3.72Å; S438-I442 WeakPolarHBondContact O-CG1 3.44Å; S438-I442 PolarHBondContact O-N 2.97Å; Q439-I442 PolarHBondContact O-N 3.06Å; I442-D445 PolarHBondContact O-N 3.35Å; I442-M446 HydrophobicContact CG2-SD 4.19Å; I442-M446 VanDerWaalsContact O-CG 3.24Å; I442-M446 WeakPolarHBondContact O-CG 3.42Å; I442-M446 PolarHBondContact O-N 3.1Å
443S98.8Very high98.6Very high3 Ų343.6 Ų43.62%0.02124%0.237CC..Hα-helixtrans-69.4-36-179.5-54.30000112.1T409 Q439 A440 F441 A447T409-S443 WeakPolarHBondContact OG1-CB 3.43Å; T409-S443 PolarHBondContact OG1-OG 3.41Å; T409-S443 VanDerWaalsContact OG1-OG 3.09Å; Q439-S443 WeakPolarHBondContact O-CB 3.41Å; Q439-S443 PolarHBondContact O-N 3.27Å; Q439-S443 PolarHBondContact O-OG 3.02Å; A440-S443 PolarHBondContact O-N 3.39Å; F441-S443 VanDerWaalsContact C-N 3.32Å; F441-S443 PolarHBondContact O-N 3.27Å; S443-A447 PolarHBondContact O-N 2.74Å; S443-A447 VanDerWaalsContact O-N 3.09Å
444A98.8Very high98.6Very high0 Ų050 Ų500%028%0.276CS..Hα-helixtrans-64.2-47.6172.700000111.6L391 V392 A440 F441 M446 A447 L448L391-A444 HydrophobicContact CB-CB 4.02Å; L391-A444 HydrophobicContact CD2-CB 3.62Å; L391-A444 HydrophobicContact CG-CB 3.86Å; V392-A444 HydrophobicContact CG2-CB 3.74Å; A440-A444 WeakPolarHBondContact O-CB 3.38Å; A440-A444 PolarHBondContact O-N 3.1Å; F441-A444 PolarHBondContact O-N 3.02Å; A444-M446 VanDerWaalsContact C-N 3.31Å; A444-M446 PolarHBondContact O-N 2.95Å; A444-A447 PolarHBondContact O-N 2.94Å; A444-L448 WeakPolarHBondContact O-CB 3.33Å; A444-L448 VanDerWaalsContact O-CG 3.28Å; A444-L448 WeakPolarHBondContact O-CG 3.22Å; A444-L448 PolarHBondContact O-N 3.33Å
445D98.7Very high98.6Very high84 Ų8453.3 Ų53.345%0.44929%0.292SS..Hα-helixtrans-60.3-40.6176.9-78.1-20000111.8F441 I442 L448 A449F441-D445 PolarHBondContact O-N 3.39Å; I442-D445 PolarHBondContact O-N 3.35Å; D445-L448 PolarHBondContact O-N 2.77Å; D445-A449 VanDerWaalsContact O-CB 3.28Å; D445-A449 WeakPolarHBondContact O-CB 3.27Å; D445-A449 PolarHBondContact O-N 3.23Å
446M98.8Very high98.6Very high62 Ų6250.3 Ų50.331%0.30528%0.281SS..Hα-helixtrans-59.8-48.1174.7-73.5177.87100111.5I408 I442 A444 A449 G450 I451I408-M446 HydrophobicContact CD1-CB 4.3Å; I408-M446 HydrophobicContact CG2-CE 4.2Å; I408-M446 HydrophobicContact CG2-SD 4.06Å; I442-M446 HydrophobicContact CG2-SD 4.19Å; I442-M446 VanDerWaalsContact O-CG 3.24Å; I442-M446 WeakPolarHBondContact O-CG 3.42Å; I442-M446 PolarHBondContact O-N 3.1Å; A444-M446 VanDerWaalsContact C-N 3.31Å; A444-M446 PolarHBondContact O-N 2.95Å; M446-A449 PolarHBondContact O-N 2.78Å; M446-G450 PolarHBondContact O-N 2.52Å; M446-I451 HydrophobicContact CB-CB 4.25Å; M446-I451 HydrophobicContact CB-CD1 4.03Å; M446-I451 HydrophobicContact CE-CD1 4.07Å; M446-I451 HydrophobicContact CE-CG2 4.04Å; M446-I451 HydrophobicContact CG-CD1 4.03Å; M446-I451 WeakPolarHBondContact O-CB 3.47Å; M446-I451 WeakPolarHBondContact O-CG1 3.42Å; M446-I451 PolarHBondContact O-N 2.86Å
447A98.8Very high98.6Very high2 Ų251.2 Ų51.22%0.01729%0.287CS..Hα-helixtrans-65.6-40.7178.700000112.4V392 M401 N404 A405 S443 A444 A449 G450V392-A447 HydrophobicContact CG2-CB 4.12Å; M401-A447 WeakPolarHBondContact CE-O 3.41Å; M401-A447 WeakPolarHBondContact O-CB 3.12Å; N404-A447 HydrophobicContact CB-CB 4.32Å; A405-A447 HydrophobicContact CB-CB 3.73Å; S443-A447 PolarHBondContact O-N 2.74Å; S443-A447 VanDerWaalsContact O-N 3.09Å; A444-A447 PolarHBondContact O-N 2.94Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A447-A449 PolarHBondContact O-N 3.02Å; A447-G450 WeakPolarHBondContact O-CA 3.47Å; A447-G450 PolarHBondContact O-N 3Å
448L98.7Very high98.6Very high47 Ų4753.2 Ų53.225%0.24630%0.298CS..Hα-helixtrans-63.5-34.3174.9-72164.1000112.5V392 N395 M401 A444 D445 G450V392-L448 HydrophobicContact CG1-CD2 4.06Å; V392-L448 HydrophobicContact CG1-CG 4.36Å; V392-L448 HydrophobicContact CG2-CG 4.3Å; N395-L448 HydrophobicContact CB-CD1 3.98Å; N395-L448 VanDerWaalsContact ND2-CD1 3.34Å; N395-L448 WeakPolarHBondContact ND2-CD1 3.42Å; M401-L448 HydrophobicContact CE-CB 4.46Å; M401-L448 HydrophobicContact CE-CD2 3.89Å; A444-L448 WeakPolarHBondContact O-CB 3.33Å; A444-L448 VanDerWaalsContact O-CG 3.28Å; A444-L448 WeakPolarHBondContact O-CG 3.22Å; A444-L448 PolarHBondContact O-N 3.33Å; D445-L448 PolarHBondContact O-N 2.77Å; L448-G450 PolarHBondContact O-N 3.02Å
449A98.6Very high98.6Very high80 Ų8057.3 Ų57.366%0.66132%0.315SS*.THydrogen-bonded Turntrans-72.4-0.3171.800000113.7D445 M446 A447D445-A449 VanDerWaalsContact O-CB 3.28Å; D445-A449 WeakPolarHBondContact O-CB 3.27Å; D445-A449 PolarHBondContact O-N 3.23Å; M446-A449 PolarHBondContact O-N 2.78Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A447-A449 PolarHBondContact O-N 3.02Å
450G98.4Very high98.6Very high48 Ų4855.5 Ų55.550%0.49531%0.307SS..THydrogen-bonded Turntrans8411.7179.900000114.3M446 A447 L448 R452M446-G450 PolarHBondContact O-N 2.52Å; A447-G450 WeakPolarHBondContact O-CA 3.47Å; A447-G450 PolarHBondContact O-N 3Å; L448-G450 PolarHBondContact O-N 3.02Å; G450-R452 PolarHBondContact O-N 3.37Å
451I98.7Very high98.6Very high82 Ų8255.5 Ų55.542%0.42131%0.307SS..PPolyproline II helixtrans-72.8118.2172.7-56.4175.8000108.2I408 M446I408-I451 HydrophobicContact CD1-CG2 4.44Å; M446-I451 HydrophobicContact CB-CB 4.25Å; M446-I451 HydrophobicContact CB-CD1 4.03Å; M446-I451 HydrophobicContact CE-CD1 4.07Å; M446-I451 HydrophobicContact CE-CG2 4.04Å; M446-I451 HydrophobicContact CG-CD1 4.03Å; M446-I451 WeakPolarHBondContact O-CB 3.47Å; M446-I451 WeakPolarHBondContact O-CG1 3.42Å; M446-I451 PolarHBondContact O-N 2.86Å
452R98.1Very high98.5Very high203 Ų20359.4 Ų59.477%0.76633%0.325SS*.PPolyproline II helixtrans-98.3146.6-177.6-62.9-178.4-179.5-169.6-3.3111.7N404 G450 V454N404-R452 WeakPolarHBondContact OD1-CA 3.5Å; G450-R452 PolarHBondContact O-N 3.37Å; R452-V454 PolarHBondContact O-N 2.87Å
453S98.2Very high98.5Very high15 Ų1557 Ų5711%0.10532%0.318CS..PPolyproline II helixtrans-70.9124.5163.8-174.40000109.5N404 K411 I455N404-S453 PolarHBondContact OD1-N 3.41Å; K411-S453 PolarHBondContact NZ-OG 3.28Å; S453-I455 VanDerWaalsContact C-N 3.34Å; S453-I455 WeakPolarHBondContact CB-O 3.39Å; S453-I455 PolarHBondContact OG-O 3.5Å
454V98Very high98.5Very high135 Ų13557 Ų5782%0.81832%0.318SS*.SBendtrans-68.7-35.6173.9177.80000111.7R452R452-V454 PolarHBondContact O-N 2.87Å
455I98.6Very high98.4Very high76 Ų7661 Ų6139%0.3933%0.334SS..SBendtrans-90.7129.6176.1-54.1-55.9000108.5S453 E459 V460S453-I455 VanDerWaalsContact C-N 3.34Å; S453-I455 WeakPolarHBondContact CB-O 3.39Å; S453-I455 PolarHBondContact OG-O 3.5Å; I455-E459 HydrophobicContact CG2-CB 3.73Å; I455-V460 HydrophobicContact CB-CG2 4.01Å; I455-V460 HydrophobicContact CG2-CG2 3.82Å
456P98.4Very high98.4Very high58 Ų5862.4 Ų62.438%0.37734%0.336SS..  trans-53.5144.4177.9-29.437.2000113.1D458 E459 V460P456-D458 VanDerWaalsContact C-N 3.33Å; P456-D458 PolarHBondContact O-N 3.05Å; P456-E459 HydrophobicContact CB-CB 4.49Å; P456-E459 HydrophobicContact CB-CG 4.28Å; P456-E459 HydrophobicContact CG-CG 4.46Å; P456-E459 WeakPolarHBondContact CG-OE1 3.38Å; P456-E459 PolarHBondContact O-N 2.93Å; P456-E459 VanDerWaalsContact O-N 3.15Å; P456-V460 PolarHBondContact O-N 2.94Å; P456-V460 VanDerWaalsContact O-N 3.09Å
457P98.5Very high98.4Very high22 Ų2261.9 Ų61.914%0.14334%0.336CS..Hα-helixtrans-54.5-43.7-178.4-27.235.2000114.2I216 A403 L406 A407 E459 V460 V461I216-P457 HydrophobicContact CB-CB 4.12Å; I216-P457 HydrophobicContact CG1-CB 4.33Å; I216-P457 HydrophobicContact CG2-CB 3.79Å; I216-P457 HydrophobicContact CG2-CG 4.32Å; A403-P457 HydrophobicContact CB-CB 4.45Å; A403-P457 HydrophobicContact CB-CG 3.86Å; A403-P457 WeakPolarHBondContact O-CG 3.15Å; L406-P457 HydrophobicContact CD2-CB 4.42Å; A407-P457 HydrophobicContact CB-CB 4.09Å; A407-P457 HydrophobicContact CB-CG 4.05Å; P457-E459 VanDerWaalsContact C-N 3.35Å; P457-E459 PolarHBondContact O-N 3.1Å; P457-V460 WeakPolarHBondContact O-CB 3.37Å; P457-V460 PolarHBondContact O-N 3.36Å; P457-V460 VanDerWaalsContact O-N 3.08Å; P457-V461 WeakPolarHBondContact O-CG2 2.98Å; P457-V461 PolarHBondContact O-N 3.3Å
458D98.6Very high98.3Very high41 Ų4162 Ų6222%0.21934%0.337CS..Hα-helixtrans-61.3-40.8177.9-67.5-66.4000112.6S215 I216 Q217 P456 V460 V461 E462S215-D458 WeakPolarHBondContact CA-OD1 3.42Å; S215-D458 WeakPolarHBondContact CB-OD1 3.41Å; I216-D458 WeakPolarHBondContact CB-OD1 3.42Å; I216-D458 WeakPolarHBondContact CG1-OD1 3.5Å; I216-D458 PolarHBondContact N-OD1 2.85Å; I216-D458 PolarHBondContact N-OD2 3.33Å; Q217-D458 PolarHBondContact N-OD2 3Å; P456-D458 VanDerWaalsContact C-N 3.33Å; P456-D458 PolarHBondContact O-N 3.05Å; D458-V460 VanDerWaalsContact C-N 3.29Å; D458-V460 PolarHBondContact O-N 2.97Å; D458-V461 PolarHBondContact O-N 3.44Å; D458-E462 PolarHBondContact O-N 2.89Å
459E98.6Very high98.1Very high105 Ų10567.2 Ų67.249%0.49135%0.353SS..Hα-helixtrans-65.4-33174.4-68.9-178.7-144.900112I455 P456 P457 A463I455-E459 HydrophobicContact CG2-CB 3.73Å; P456-E459 HydrophobicContact CB-CB 4.49Å; P456-E459 HydrophobicContact CB-CG 4.28Å; P456-E459 HydrophobicContact CG-CG 4.46Å; P456-E459 WeakPolarHBondContact CG-OE1 3.38Å; P456-E459 PolarHBondContact O-N 2.93Å; P456-E459 VanDerWaalsContact O-N 3.15Å; P457-E459 VanDerWaalsContact C-N 3.35Å; P457-E459 PolarHBondContact O-N 3.1Å; E459-A463 VanDerWaalsContact O-CB 3.26Å; E459-A463 WeakPolarHBondContact O-CB 3.38Å; E459-A463 PolarHBondContact O-N 3.13Å
460V98.7Very high98Very high4 Ų467.4 Ų67.42%0.02435%0.354CS..Hα-helixtrans-68.6-40.6174.3176.60000111.2A407 L410 K411 M414 I455 P456 P457 D458 A463 M464A407-V460 HydrophobicContact CB-CB 4.47Å; A407-V460 HydrophobicContact CB-CG2 4.16Å; L410-V460 HydrophobicContact CB-CG1 3.53Å; L410-V460 HydrophobicContact CD1-CG1 4.21Å; K411-V460 HydrophobicContact CD-CG2 3.97Å; K411-V460 HydrophobicContact CG-CG1 3.77Å; K411-V460 HydrophobicContact CG-CG2 3.93Å; M414-V460 HydrophobicContact CE-CG1 4.17Å; I455-V460 HydrophobicContact CB-CG2 4.01Å; I455-V460 HydrophobicContact CG2-CG2 3.82Å; P456-V460 PolarHBondContact O-N 2.94Å; P456-V460 VanDerWaalsContact O-N 3.09Å; P457-V460 WeakPolarHBondContact O-CB 3.37Å; P457-V460 PolarHBondContact O-N 3.36Å; P457-V460 VanDerWaalsContact O-N 3.08Å; D458-V460 VanDerWaalsContact C-N 3.29Å; D458-V460 PolarHBondContact O-N 2.97Å; V460-A463 PolarHBondContact O-N 3.41Å; V460-M464 PolarHBondContact O-N 3.06Å
461V98.4Very high98Very high1 Ų166 Ų661%0.00634%0.335CS..Hα-helixtrans-62.5-46.3174.7173.70000110.4M363 N366 A367 L406 L410 P457 D458 A463 M464 Y465M363-V461 HydrophobicContact CG-CG2 3.99Å; N366-V461 HydrophobicContact CB-CG1 3.88Å; A367-V461 HydrophobicContact CB-CG1 3.88Å; L406-V461 HydrophobicContact CD2-CG2 4.11Å; L410-V461 HydrophobicContact CD1-CG2 3.75Å; P457-V461 WeakPolarHBondContact O-CG2 2.98Å; P457-V461 PolarHBondContact O-N 3.3Å; D458-V461 PolarHBondContact O-N 3.44Å; V461-A463 VanDerWaalsContact C-N 3.32Å; V461-A463 PolarHBondContact O-N 3.39Å; V461-M464 WeakPolarHBondContact O-CB 3.41Å; V461-M464 PolarHBondContact O-N 3.46Å; V461-Y465 PolarHBondContact O-N 3.06Å
462E98.1Very high97.9Very high95 Ų9565.4 Ų65.444%0.44434%0.337SS..Hα-helixtrans-62.7-39.3176.1-162.3-158.8-177.700111.7D458 Y465 K466D458-E462 PolarHBondContact O-N 2.89Å; E462-Y465 WeakPolarHBondContact O-CB 3.19Å; E462-Y465 PolarHBondContact O-N 3.09Å; E462-K466 VanDerWaalsContact CD-CE 3.48Å; E462-K466 HydrophobicContact CG-CD 4.48Å; E462-K466 WeakPolarHBondContact O-CG 3.44Å; E462-K466 PolarHBondContact O-N 2.89Å; E462-K466 WeakPolarHBondContact OE1-CE 3.41Å; E462-K466 IonicContact OE1-NZ 2.66Å; E462-K466 PolarHBondContact OE1-NZ 2.85Å; E462-K466 IonicContact OE2-NZ 3.7Å; E462-K466 PolarHBondContact OE2-NZ 3.13Å
463A98.5Very high97.6Very high34 Ų3459.7 Ų59.728%0.28132%0.319SS..Hα-helixtrans-63.1-42.1174.800000112M414 E459 V460 V461 Y465 K466 V467M414-A463 HydrophobicContact CE-CB 3.89Å; M414-A463 HydrophobicContact SD-CB 4.26Å; E459-A463 VanDerWaalsContact O-CB 3.26Å; E459-A463 WeakPolarHBondContact O-CB 3.38Å; E459-A463 PolarHBondContact O-N 3.13Å; V460-A463 PolarHBondContact O-N 3.41Å; V461-A463 VanDerWaalsContact C-N 3.32Å; V461-A463 PolarHBondContact O-N 3.39Å; A463-Y465 VanDerWaalsContact C-N 3.31Å; A463-Y465 PolarHBondContact O-N 2.84Å; A463-K466 PolarHBondContact O-N 3.2Å; A463-V467 WeakPolarHBondContact O-CG2 3.27Å; A463-V467 PolarHBondContact O-N 3.36Å
464M98Very high97.5Very high4 Ų462.4 Ų62.42%0.0233%0.331CS..Hα-helixtrans-58.8-44.2174.1-175.9-173.67400111.1A367 Q377 L410 M414 V460 V461 V467 G468A367-M464 HydrophobicContact CB-CE 3.58Å; Q377-M464 HydrophobicContact CG-CG 4.38Å; Q377-M464 PolarHBondContact NE2-O 2.94Å; L410-M464 HydrophobicContact CD2-SD 3.73Å; M414-M464 HydrophobicContact CE-CB 4.15Å; V460-M464 PolarHBondContact O-N 3.06Å; V461-M464 WeakPolarHBondContact O-CB 3.41Å; V461-M464 PolarHBondContact O-N 3.46Å; M464-V467 PolarHBondContact O-N 2.75Å; M464-G468 PolarHBondContact O-N 3.17Å
465Y97.2Very high97.5Very high84 Ų8458.8 Ų58.833%0.32931%0.305SS..Hα-helixtrans-58.7-50.9175.5-178.9-115.4000111.9A367 V461 E462 A463 V467 G468 R469A367-Y465 HydrophobicContact CB-CD2 4.31Å; A367-Y465 HydrophobicContact CB-CG 4.43Å; V461-Y465 PolarHBondContact O-N 3.06Å; E462-Y465 WeakPolarHBondContact O-CB 3.19Å; E462-Y465 PolarHBondContact O-N 3.09Å; A463-Y465 VanDerWaalsContact C-N 3.31Å; A463-Y465 PolarHBondContact O-N 2.84Å; Y465-V467 VanDerWaalsContact C-N 3.34Å; Y465-V467 PolarHBondContact O-N 3.19Å; Y465-G468 PolarHBondContact O-N 3.24Å; Y465-G468 VanDerWaalsContact O-N 3.16Å; Y465-R469 HydrophobicContact CD1-CG 4.34Å; Y465-R469 HydrophobicContact CD2-CG 4.22Å; Y465-R469 HydrophobicContact CE1-CG 3.96Å; Y465-R469 HydrophobicContact CE2-CG 3.87Å; Y465-R469 HydrophobicContact CG-CG 4.46Å; Y465-R469 WeakPolarHBondContact O-CG 3.4Å; Y465-R469 PolarHBondContact O-N 2.85Å
466K98.3Very high97.3Very high113 Ų11357 Ų5749%0.49129%0.294SS..Hα-helixtrans-59.3-42.5178.8-72.4169.1-179.1163.30112E462 A463 R469 A470E462-K466 VanDerWaalsContact CD-CE 3.48Å; E462-K466 HydrophobicContact CG-CD 4.48Å; E462-K466 WeakPolarHBondContact O-CG 3.44Å; E462-K466 PolarHBondContact O-N 2.89Å; E462-K466 WeakPolarHBondContact OE1-CE 3.41Å; E462-K466 IonicContact OE1-NZ 2.66Å; E462-K466 PolarHBondContact OE1-NZ 2.85Å; E462-K466 IonicContact OE2-NZ 3.7Å; E462-K466 PolarHBondContact OE2-NZ 3.13Å; A463-K466 PolarHBondContact O-N 3.2Å; K466-R469 PolarHBondContact O-N 3.24Å; K466-A470 WeakPolarHBondContact O-CB 3.49Å; K466-A470 PolarHBondContact O-N 2.75Å
467V98.2Very high97.1Very high51 Ų5154.4 Ų54.431%0.30928%0.277SS..Hα-helixtrans-63.3-44.1175.4170.10000111.1M414 A463 M464 Y465 A470 M471M414-V467 HydrophobicContact CG-CB 4.28Å; M414-V467 HydrophobicContact CG-CG1 4.25Å; M414-V467 HydrophobicContact CG-CG2 3.98Å; M414-V467 HydrophobicContact SD-CG2 3.94Å; A463-V467 WeakPolarHBondContact O-CG2 3.27Å; A463-V467 PolarHBondContact O-N 3.36Å; M464-V467 PolarHBondContact O-N 2.75Å; Y465-V467 VanDerWaalsContact C-N 3.34Å; Y465-V467 PolarHBondContact O-N 3.19Å; V467-A470 PolarHBondContact O-N 3.38Å; V467-M471 PolarHBondContact O-N 2.83Å
468G96.9Very high96.8Very high3 Ų353.7 Ų53.73%0.03127%0.272CS..Hα-helixtrans-62-43.8177.300000112.6Q377 M464 Y465 A470 M471Q377-G468 VanDerWaalsContact NE2-CA 3.34Å; Q377-G468 VanDerWaalsContact NE2-N 3.2Å; M464-G468 PolarHBondContact O-N 3.17Å; Y465-G468 PolarHBondContact O-N 3.24Å; Y465-G468 VanDerWaalsContact O-N 3.16Å; G468-A470 VanDerWaalsContact C-N 3.32Å; G468-A470 PolarHBondContact O-N 3.3Å; G468-M471 VanDerWaalsContact O-CB 3.24Å; G468-M471 WeakPolarHBondContact O-CB 3.42Å; G468-M471 PolarHBondContact O-N 3.4Å; G468-M471 VanDerWaalsContact O-N 3.12Å
469R95.3Very high96.6Very high158 Ų15852.5 Ų52.560%0.59627%0.268SS*.Hα-helixtrans-63.2-35.5175.8-69.5-63.1-59.8-162.6-1.2113Y465 K466 M471Y465-R469 HydrophobicContact CD1-CG 4.34Å; Y465-R469 HydrophobicContact CD2-CG 4.22Å; Y465-R469 HydrophobicContact CE1-CG 3.96Å; Y465-R469 HydrophobicContact CE2-CG 3.87Å; Y465-R469 HydrophobicContact CG-CG 4.46Å; Y465-R469 WeakPolarHBondContact O-CG 3.4Å; Y465-R469 PolarHBondContact O-N 2.85Å; K466-R469 PolarHBondContact O-N 3.24Å; R469-M471 VanDerWaalsContact C-N 3.31Å
470A97.4Very high96.4Very high83 Ų8351 Ų5169%0.68626%0.261SS*.Hα-helixtrans-80-10.7176.500000113.5K466 V467 G468K466-A470 WeakPolarHBondContact O-CB 3.49Å; K466-A470 PolarHBondContact O-N 2.75Å; V467-A470 PolarHBondContact O-N 3.38Å; G468-A470 VanDerWaalsContact C-N 3.32Å; G468-A470 PolarHBondContact O-N 3.3Å
471M97.2Very high96.3Very high18 Ų1850.9 Ų50.99%0.08926%0.261CS..SBendtrans-69.9128.7-176.8-170.2178.9-66.700111.2I417 V467 G468 R469 F475 K476I417-M471 HydrophobicContact CB-SD 4.4Å; I417-M471 HydrophobicContact CG2-CE 4.22Å; I417-M471 HydrophobicContact CG2-SD 4.04Å; V467-M471 PolarHBondContact O-N 2.83Å; G468-M471 VanDerWaalsContact O-CB 3.24Å; G468-M471 WeakPolarHBondContact O-CB 3.42Å; G468-M471 PolarHBondContact O-N 3.4Å; G468-M471 VanDerWaalsContact O-N 3.12Å; R469-M471 VanDerWaalsContact C-N 3.31Å; M471-F475 HydrophobicContact CG-CB 3.85Å; M471-F475 HydrophobicContact SD-CB 3.91Å; M471-F475 VanDerWaalsContact SD-O 3.42Å; M471-K476 HydrophobicContact CB-CD 4.24Å; M471-K476 HydrophobicContact CB-CG 4.3Å; M471-K476 HydrophobicContact CG-CG 4.08Å; M471-K476 VanDerWaalsContact O-CE 3.31Å; M471-K476 WeakPolarHBondContact O-CE 3.37Å; M471-K476 HydrophobicContact SD-CG 3.87Å
472P96.4Very high96.2Very high70 Ų7052.3 Ų52.346%0.45528%0.276SS..  trans-53.5142.6173.9-27.934.5000112.9I474 F475P472-I474 HydrophobicContact CB-CG1 4.05Å; P472-I474 PolarHBondContact O-N 2.63Å; P472-F475 HydrophobicContact CB-CD2 3.97Å; P472-F475 HydrophobicContact CB-CE2 4.35Å; P472-F475 HydrophobicContact CG-CD2 3.98Å; P472-F475 HydrophobicContact CG-CE2 4.17Å; P472-F475 WeakPolarHBondContact O-CB 3.35Å; P472-F475 PolarHBondContact O-N 2.89Å
473Q93.1Very high96.2Very high83 Ų8350.6 Ų50.639%0.38827%0.271SS..G310 helixtrans-57.1-35.8-177.4-167.3179.821.600113.2E52 F475 K476 T478E52-Q473 PolarHBondContact OE2-NE2 3.15Å; Q473-F475 PolarHBondContact O-N 3.23Å; Q473-K476 PolarHBondContact O-N 2.79Å; Q473-T478 HydrophobicContact CG-CG2 4.15Å; Q473-T478 PolarHBondContact O-OG1 2.77Å
474I96Very high96.2Very high72 Ų7249.1 Ų49.137%0.36926%0.259SS..G310 helixtrans-59.7-12.6177.263.6167.6000114.5P472 E480 G481P472-I474 HydrophobicContact CB-CG1 4.05Å; P472-I474 PolarHBondContact O-N 2.63Å; I474-E480 HydrophobicContact CB-CB 4.06Å; I474-E480 HydrophobicContact CG2-CB 3.94Å; I474-G481 PolarHBondContact O-N 3.08Å; I474-G481 VanDerWaalsContact O-N 3.14Å
475F97.3Very high96.1Very high59 Ų5952 Ų5226%0.25928%0.277SS..G310 helixtrans-110.310.4-179.8-63.6-31.3000113.1I417 C418 M471 P472 Q473I417-F475 HydrophobicContact CB-CB 3.83Å; I417-F475 HydrophobicContact CB-CG 4.26Å; I417-F475 HydrophobicContact CD1-CD1 3.9Å; I417-F475 HydrophobicContact CD1-CE1 4.34Å; I417-F475 HydrophobicContact CD1-CG 4.36Å; I417-F475 HydrophobicContact CG2-CB 3.67Å; I417-F475 HydrophobicContact CG2-CD1 4.45Å; I417-F475 HydrophobicContact CG2-CD2 4.13Å; I417-F475 HydrophobicContact CG2-CG 3.85Å; C418-F475 PolarHBondContact N-O 2.93Å; C418-F475 CarbonylContact O-C 3.43Å; C418-F475 VanDerWaalsContact O-C 3.27Å; M471-F475 HydrophobicContact CG-CB 3.85Å; M471-F475 HydrophobicContact SD-CB 3.91Å; M471-F475 VanDerWaalsContact SD-O 3.42Å; P472-F475 HydrophobicContact CB-CD2 3.97Å; P472-F475 HydrophobicContact CB-CE2 4.35Å; P472-F475 HydrophobicContact CG-CD2 3.98Å; P472-F475 HydrophobicContact CG-CE2 4.17Å; P472-F475 WeakPolarHBondContact O-CB 3.35Å; P472-F475 PolarHBondContact O-N 2.89Å; Q473-F475 PolarHBondContact O-N 3.23Å
476K94.8Very high96.2Very high39 Ų3950.6 Ų50.617%0.1728%0.278CS..BIsolated β-bridgetrans-122.371.2-177.3-63.8-172.1-67.81790111.1A372 E373 M471 Q473 T478A372-K476 WeakPolarHBondContact O-CB 3.31Å; E373-K476 WeakPolarHBondContact O-CD 3.44Å; M471-K476 HydrophobicContact CB-CD 4.24Å; M471-K476 HydrophobicContact CB-CG 4.3Å; M471-K476 HydrophobicContact CG-CG 4.08Å; M471-K476 VanDerWaalsContact O-CE 3.31Å; M471-K476 WeakPolarHBondContact O-CE 3.37Å; M471-K476 HydrophobicContact SD-CG 3.87Å; Q473-K476 PolarHBondContact O-N 2.79Å; K476-T478 PolarHBondContact O-N 3.39Å
477E92.9Very high96.2Very high3 Ų350.8 Ų50.81%0.01429%0.29CS..THydrogen-bonded Turntrans69.33.4169.8-156.5171.4160.100115.1H24 T57 H61 G371 A372 C418 A479H24-E477 IonicContact CE1-OE1 2.77Å; H24-E477 PolarHBondContact CE1-OE1 2.95Å; H24-E477 IonicContact ND1-OE1 2.84Å; H24-E477 PolarHBondContact ND1-OE1 3.14Å; H24-E477 VanDerWaalsContact ND1-OE1 3.15Å; T57-E477 VanDerWaalsContact CG2-O 3.26Å; T57-E477 WeakPolarHBondContact CG2-O 3.32Å; H61-E477 IonicContact CE1-OE1 3.34Å; H61-E477 IonicContact NE2-OE1 2.52Å; G371-E477 VanDerWaalsContact C-OE2 3.27Å; G371-E477 WeakPolarHBondContact CA-OE2 3.24Å; A372-E477 HydrophobicContact CB-CB 4.28Å; A372-E477 PolarHBondContact N-OE2 3.02Å; C418-E477 HydrophobicContact CB-CB 4.4Å; C418-E477 PolarHBondContact O-N 3.03Å; C418-E477 VanDerWaalsContact O-N 3.08Å; E477-A479 PolarHBondContact O-N 2.65Å
478T92.6Very high96.2Very high7 Ų751.7 Ų51.74%0.04330%0.296CS..SBendtrans-83.1-6.7-178.667.50000115.4Q473 K476 E480Q473-T478 HydrophobicContact CG-CG2 4.15Å; Q473-T478 PolarHBondContact O-OG1 2.77Å; K476-T478 PolarHBondContact O-N 3.39Å; T478-E480 PolarHBondContact O-N 2.89Å; T478-E480 WeakPolarHBondContact OG1-CB 3.27Å; T478-E480 PolarHBondContact OG1-OE2 2.95Å; T478-E480 VanDerWaalsContact OG1-OE2 3.11Å
479A94.3Very high96.2Very high16 Ų1651.6 Ų51.613%0.13230%0.295CS..SBendtrans6019.8-173.100000115.1P420 E477 A484P420-A479 HydrophobicContact CG-CB 4.25Å; P420-A479 WeakPolarHBondContact O-CB 3.46Å; E477-A479 PolarHBondContact O-N 2.65Å; A479-A484 HydrophobicContact CB-CB 4.13Å; A479-A484 WeakPolarHBondContact O-CB 3.23Å
480E95.3Very high96.2Very high73 Ų7347.6 Ų47.634%0.34129%0.285SS..SBendtrans-99.96.7-176.1-67.3173.2143.200113.9K56 I474 T478 T485K56-E480 VanDerWaalsContact CE-OE1 3.29Å; K56-E480 WeakPolarHBondContact CE-OE1 3.37Å; K56-E480 IonicContact NZ-OE1 2.63Å; K56-E480 PolarHBondContact NZ-OE1 2.96Å; I474-E480 HydrophobicContact CB-CB 4.06Å; I474-E480 HydrophobicContact CG2-CB 3.94Å; T478-E480 PolarHBondContact O-N 2.89Å; T478-E480 WeakPolarHBondContact OG1-CB 3.27Å; T478-E480 PolarHBondContact OG1-OE2 2.95Å; T478-E480 VanDerWaalsContact OG1-OE2 3.11Å; E480-T485 WeakPolarHBondContact O-CG2 3.32Å
481G96.2Very high96.2Very high3 Ų349.9 Ų49.93%0.03128%0.276CS..SBendtrans-150.9-177.4178.500000113.3D419 I474 A484D419-G481 WeakPolarHBondContact CB-O 2.84Å; I474-G481 PolarHBondContact O-N 3.08Å; I474-G481 VanDerWaalsContact O-N 3.14Å; G481-A484 WeakPolarHBondContact O-CB 3.38Å; G481-A484 PolarHBondContact O-N 3.17Å
482G97.3Very high96.1Very high30 Ų3050.3 Ų50.331%0.30928%0.279SS..G310 helixtrans60.8-140.3174.700000113.7D419 A484 T485D419-G482 WeakPolarHBondContact OD2-CA 3.43Å; G482-A484 PolarHBondContact O-N 2.92Å; G482-T485 PolarHBondContact O-N 2.94Å; G482-T485 PolarHBondContact O-OG1 2.95Å
483V97.7Very high96Very high59 Ų5950.6 Ų50.636%0.35827%0.274SS..G310 helixtrans-67.1-23.8-177.7-56.90000113D419 V421 P428 T485 T486D419-V483 WeakPolarHBondContact O-CG2 3.45Å; D419-V483 WeakPolarHBondContact OD2-CG2 3.12Å; D419-V483 PolarHBondContact OD2-N 2.88Å; V421-V483 HydrophobicContact CG2-CG2 3.94Å; P428-V483 HydrophobicContact CG-CG2 4.3Å; V483-T485 VanDerWaalsContact C-N 3.29Å; V483-T485 PolarHBondContact O-N 2.87Å; V483-T486 WeakPolarHBondContact O-CB 3.49Å; V483-T486 WeakPolarHBondContact O-CG2 3.32Å; V483-T486 PolarHBondContact O-N 2.9Å; V483-T486 PolarHBondContact O-OG1 3.48Å
484A97Very high96Very high3 Ų352 Ų523%0.02528%0.279CS..G310 helixtrans-61.9-35.6178.700000112.7P420 A479 G481 G482 G489P420-A484 WeakPolarHBondContact O-CB 3.34Å; A479-A484 HydrophobicContact CB-CB 4.13Å; A479-A484 WeakPolarHBondContact O-CB 3.23Å; G481-A484 WeakPolarHBondContact O-CB 3.38Å; G481-A484 PolarHBondContact O-N 3.17Å; G482-A484 PolarHBondContact O-N 2.92Å; A484-G489 CarbonylContact O-C 3.56Å
485T97.5Very high95.9Very high64 Ų6454.9 Ų54.939%0.39329%0.291SS..G310 helixtrans-92.56.5-178.453.10000114.5E480 G482 V483E480-T485 WeakPolarHBondContact O-CG2 3.32Å; G482-T485 PolarHBondContact O-N 2.94Å; G482-T485 PolarHBondContact O-OG1 2.95Å; V483-T485 VanDerWaalsContact C-N 3.29Å; V483-T485 PolarHBondContact O-N 2.87Å
486T98.2Very high95.6Very high56 Ų5654.3 Ų54.334%0.34429%0.292SS..SBendtrans-66.6158.3173.962.30000111V483 T488 G489 L490V483-T486 WeakPolarHBondContact O-CB 3.49Å; V483-T486 WeakPolarHBondContact O-CG2 3.32Å; V483-T486 PolarHBondContact O-N 2.9Å; V483-T486 PolarHBondContact O-OG1 3.48Å; T486-T488 PolarHBondContact O-N 3.22Å; T486-T488 VanDerWaalsContact O-N 3.13Å; T486-G489 PolarHBondContact O-N 2.65Å; T486-G489 PolarHBondContact OG1-N 2.96Å; T486-L490 WeakPolarHBondContact O-CG 3.28Å; T486-L490 PolarHBondContact O-N 2.96Å
487P98.1Very high95.4Very high116 Ų11655.8 Ų55.875%0.75330%0.298SS*.Hα-helixtrans-53.3-36.3175.2-28.435.5000113.5R491P487-R491 VanDerWaalsContact O-CB 3.29Å; P487-R491 WeakPolarHBondContact O-CB 3.39Å; P487-R491 PolarHBondContact O-N 3Å; P487-R491 VanDerWaalsContact O-N 3.13Å
488T97.8Very high95.1Very high71 Ų7157.4 Ų57.444%0.43632%0.316SS..Hα-helixtrans-72.1-43.6174.1-74.20000112.2T486 L490 R491 L492T486-T488 PolarHBondContact O-N 3.22Å; T486-T488 VanDerWaalsContact O-N 3.13Å; T488-L490 PolarHBondContact O-N 2.82Å; T488-R491 VanDerWaalsContact CG2-NH2 3.33Å; T488-R491 PolarHBondContact O-N 3.32Å; T488-R491 PolarHBondContact OG1-NH2 2.89Å; T488-L492 HydrophobicContact CG2-CD1 4Å; T488-L492 HydrophobicContact CG2-CG 4.38Å; T488-L492 WeakPolarHBondContact O-CG 3.49Å; T488-L492 PolarHBondContact O-N 3.21Å
489G97Very high94.2Very high1 Ų164.9 Ų64.91%0.0135%0.35CS..Hα-helixtrans-58.7-47.8177.200000112.4A484 T486 R491 L492 Q493A484-G489 CarbonylContact O-C 3.56Å; T486-G489 PolarHBondContact O-N 2.65Å; T486-G489 PolarHBondContact OG1-N 2.96Å; G489-R491 VanDerWaalsContact C-N 3.34Å; G489-R491 PolarHBondContact O-N 2.87Å; G489-L492 PolarHBondContact O-N 3.28Å; G489-Q493 PolarHBondContact O-N 3.21Å
490L96.2Very high92.3Very high73 Ų7368.7 Ų68.738%0.38237%0.373SS..Hα-helixtrans-63.8-37176.4-65174.7000112.6T486 T488 K494T486-L490 WeakPolarHBondContact O-CG 3.28Å; T486-L490 PolarHBondContact O-N 2.96Å; T488-L490 PolarHBondContact O-N 2.82Å; L490-K494 WeakPolarHBondContact O-CG 3.41Å; L490-K494 PolarHBondContact O-N 3.38Å; L490-K494 VanDerWaalsContact O-N 3.1Å
491R96.8Very high90.2Very high131 Ų13174.1 Ų74.149%0.49440%0.399SS..Hα-helixtrans-64.7-43.6174.4175.918055.380.40.3111.6P487 T488 G489 K494 Q495P487-R491 VanDerWaalsContact O-CB 3.29Å; P487-R491 WeakPolarHBondContact O-CB 3.39Å; P487-R491 PolarHBondContact O-N 3Å; P487-R491 VanDerWaalsContact O-N 3.13Å; T488-R491 VanDerWaalsContact CG2-NH2 3.33Å; T488-R491 PolarHBondContact O-N 3.32Å; T488-R491 PolarHBondContact OG1-NH2 2.89Å; G489-R491 VanDerWaalsContact C-N 3.34Å; G489-R491 PolarHBondContact O-N 2.87Å; R491-K494 PolarHBondContact O-N 2.92Å; R491-Q495 PolarHBondContact O-N 3.24Å
492L95.8Very high87.3Confident28 Ų2883.2 Ų83.215%0.14744%0.438CS..Hα-helixtrans-65.2-40.9177.3-70.5173.4000111.3I276 V421 T488 G489 K494 Q495 V496I276-L492 HydrophobicContact CD1-CB 4.15Å; I276-L492 HydrophobicContact CD1-CD2 4.34Å; I276-L492 HydrophobicContact CG1-CD2 4.3Å; I276-L492 HydrophobicContact CG2-CD1 4.25Å; V421-L492 HydrophobicContact CG1-CB 4.07Å; V421-L492 HydrophobicContact CG1-CD1 4.07Å; T488-L492 HydrophobicContact CG2-CD1 4Å; T488-L492 HydrophobicContact CG2-CG 4.38Å; T488-L492 WeakPolarHBondContact O-CG 3.49Å; T488-L492 PolarHBondContact O-N 3.21Å; G489-L492 PolarHBondContact O-N 3.28Å; L492-K494 VanDerWaalsContact C-N 3.32Å; L492-K494 PolarHBondContact O-N 2.9Å; L492-Q495 WeakPolarHBondContact O-CB 3.34Å; L492-Q495 PolarHBondContact O-N 3.08Å; L492-Q495 VanDerWaalsContact O-N 3.1Å; L492-V496 WeakPolarHBondContact O-CG2 3.37Å; L492-V496 PolarHBondContact O-N 3.45Å
493Q93.9Very high84.4Confident76 Ų7685.7 Ų85.736%0.35546%0.455SS..Hα-helixtrans-56.6-46.4173.5-174.2-178.433.400111.9A422 G489 Q495 V496 F497A422-Q493 HydrophobicContact CB-CB 3.75Å; A422-Q493 HydrophobicContact CB-CG 3.99Å; G489-Q493 PolarHBondContact O-N 3.21Å; Q493-Q495 VanDerWaalsContact C-N 3.29Å; Q493-Q495 PolarHBondContact O-N 2.82Å; Q493-V496 PolarHBondContact O-N 2.99Å; Q493-F497 HydrophobicContact CG-CD2 4.14Å; Q493-F497 PolarHBondContact O-N 2.93Å
494K93.6Very high81.1Confident112 Ų11289 Ų8949%0.48748%0.476SS..Hα-helixtrans-62.9-35.2175.9-71176.2-177.5-1720113.1L490 R491 L492 G498L490-K494 WeakPolarHBondContact O-CG 3.41Å; L490-K494 PolarHBondContact O-N 3.38Å; L490-K494 VanDerWaalsContact O-N 3.1Å; R491-K494 PolarHBondContact O-N 2.92Å; L492-K494 VanDerWaalsContact C-N 3.32Å; L492-K494 PolarHBondContact O-N 2.9Å; K494-G498 WeakPolarHBondContact CA-O 2.94Å; K494-G498 CarbonylContact O-C 3.53Å; K494-G498 WeakPolarHBondContact O-CA 3.36Å; K494-G498 PolarHBondContact O-N 3.19Å
495Q93.3Very high78.2Confident133 Ų13398.2 Ų98.262%0.62153%0.531SS*.Hα-helixtrans-67.2-37.6177.4-179.2-177.5-29.700111.9R491 L492 Q493R491-Q495 PolarHBondContact O-N 3.24Å; L492-Q495 WeakPolarHBondContact O-CB 3.34Å; L492-Q495 PolarHBondContact O-N 3.08Å; L492-Q495 VanDerWaalsContact O-N 3.1Å; Q493-Q495 VanDerWaalsContact C-N 3.29Å; Q493-Q495 PolarHBondContact O-N 2.82Å
496V91.9Very high77.2Confident47 Ų47100 Ų10029%0.28554%0.538SS..Hα-helixtrans-80.3-45.9-177.6176.80000111.9T274 I276 L424 L492 Q493T274-V496 HydrophobicContact CG2-CG1 3.94Å; T274-V496 HydrophobicContact CG2-CG2 4.14Å; I276-V496 HydrophobicContact CD1-CG2 3.69Å; L424-V496 HydrophobicContact CD1-CG2 4.37Å; L492-V496 WeakPolarHBondContact O-CG2 3.37Å; L492-V496 PolarHBondContact O-N 3.45Å; Q493-V496 PolarHBondContact O-N 2.99Å
497F89.3Confident76.1Confident69 Ų69102.3 Ų102.330%0.30355%0.549SS..Hα-helixtrans-109.4-1.9-170.6-57.8-65.3000114.9R59 A422 L424 Q493R59-F497 HydrophobicContact CB-CD1 4.25Å; R59-F497 HydrophobicContact CB-CE1 3.63Å; R59-F497 HydrophobicContact CB-CZ 4.22Å; A422-F497 HydrophobicContact CB-CD2 4.48Å; A422-F497 HydrophobicContact CB-CE2 3.94Å; A422-F497 VanDerWaalsContact O-CE2 3.24Å; A422-F497 WeakPolarHBondContact O-CE2 3.28Å; L424-F497 HydrophobicContact CD2-CZ 4.31Å; Q493-F497 HydrophobicContact CG-CD2 4.14Å; Q493-F497 PolarHBondContact O-N 2.93Å
498G87.1Confident74.9Confident37 Ų37101.5 Ų101.538%0.38154%0.537SS..  trans83.1-172.8-171.300000113K494K494-G498 WeakPolarHBondContact CA-O 2.94Å; K494-G498 CarbonylContact O-C 3.53Å; K494-G498 WeakPolarHBondContact O-CA 3.36Å; K494-G498 PolarHBondContact O-N 3.19Å
499E73.4Confident73.6Confident165 Ų165103.3 Ų103.377%0.77154%0.543SS*.SBendtrans-64137.3169.9-69.7-162.4154.600109.3E501E499-E501 PolarHBondContact O-N 3.01Å; E499-E501 VanDerWaalsContact O-N 3.08Å
500P55.9Low72.1Confident95 Ų95109.7 Ų109.762%0.61758%0.577SS**PPolyproline II helixtrans-56.5123.6167.123-29000106.7K502P500-K502 PolarHBondContact O-N 3.45Å
501E50.1Low70.5Confident187 Ų187112.1 Ų112.187%0.87459%0.59SS**PPolyproline II helixtrans-47.4119.1162.9-78.3-175.3167.100105.3E499 A503E499-E501 PolarHBondContact O-N 3.01Å; E499-E501 VanDerWaalsContact O-N 3.08Å; E501-A503 PolarHBondContact O-N 3.19Å
502K35.6Very low68.6Low194 Ų194110.8 Ų110.884%0.84360%0.596SS**  trans-50.3110.6177.5-79.6-179.9178.1175.40105.5P500 T504P500-K502 PolarHBondContact O-N 3.45Å; K502-T504 PolarHBondContact O-N 3.29Å
503A36.6Very low66.6Low83 Ų83117.2 Ų117.269%0.68663%0.631SS**  trans-59.994.8162.800000104.5E501 V505E501-A503 PolarHBondContact O-N 3.19Å; A503-V505 PolarHBondContact O-N 3Å
504T28.3Very low64.3Low129 Ų129120.6 Ų120.679%0.79165%0.654SS**  trans-56112.5162.839.40000105.1K502K502-T504 PolarHBondContact O-N 3.29Å
505V36.3Very low61.6Low196 Ų196121.4 Ų121.4100%1.18867%0.669SS**  trans-60.80176.1179.40000109.2A503A503-V505 PolarHBondContact O-N 3Å

Retrieved 505 of 505 residues in 1446.9 ms (Link to these results)

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