A0A3Q0KDW3_SCHMA Loading...

Putative ubiquitin conjugating enzyme

AlphaFold DB , UniProt , Accession A0A3Q0KDW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 374 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
1M48.8Very low80.7Confident194 Ų19486.6 Ų86.696%0.95643%0.428SS*.  0125.70-79.9-168.7-100.900107.6C3M1-C3 PolarHBondContact O-N 3.17Å
2S65.4Low81.6Confident66 Ų6688.2 Ų88.246%0.46243%0.433SS..  trans-49.1130.6-178.8164.10000110.6I4 K5 K6S2-I4 PolarHBondContact O-N 3.42Å; S2-I4 VanDerWaalsContact O-N 3.08Å; S2-I4 PolarHBondContact OG-N 2.94Å; S2-K5 WeakPolarHBondContact O-CB 3.38Å; S2-K5 PolarHBondContact O-N 3.14Å; S2-K6 PolarHBondContact O-N 3.37Å
3C77Confident82.5Confident65 Ų6584.5 Ų84.544%0.43942%0.418SS..Hα-helixtrans-49.5-35.9179.7-65.30000111.7M1 K5 K6 L7M1-C3 PolarHBondContact O-N 3.17Å; C3-K5 PolarHBondContact O-N 3.09Å; C3-K6 PolarHBondContact O-N 3.36Å; C3-L7 PolarHBondContact O-N 2.89Å
4I80.9Confident83.3Confident85 Ų8578.5 Ų78.544%0.43639%0.389SS..Hα-helixtrans-60.7-40.6175.7-62.8171.2000112.1S2 L7 K8 L32S2-I4 PolarHBondContact O-N 3.42Å; S2-I4 VanDerWaalsContact O-N 3.08Å; S2-I4 PolarHBondContact OG-N 2.94Å; I4-L7 PolarHBondContact O-N 3.45Å; I4-K8 HydrophobicContact CG2-CD 4.26Å; I4-K8 HydrophobicContact CG2-CG 4.4Å; I4-K8 WeakPolarHBondContact O-CB 3.06Å; I4-K8 WeakPolarHBondContact O-CG 3.35Å; I4-K8 PolarHBondContact O-N 3.3Å; I4-L32 HydrophobicContact CG2-CD2 4.1Å
5K83.1Confident83.9Confident153 Ų15379.3 Ų79.367%0.66539%0.391SS*.Hα-helixtrans-65.6-40.4177.7-71.8-170.8177.9-174.20111.5S2 C3 H9S2-K5 WeakPolarHBondContact O-CB 3.38Å; S2-K5 PolarHBondContact O-N 3.14Å; C3-K5 PolarHBondContact O-N 3.09Å; K5-H9 WeakPolarHBondContact O-CB 3.37Å; K5-H9 PolarHBondContact O-N 2.86Å; K5-H9 VanDerWaalsContact O-N 3.08Å
6K84.4Confident84.4Confident105 Ų10582.3 Ų82.346%0.45740%0.404SS..Hα-helixtrans-65.4-47175.2-75.4-171.4175-172.70111S2 C3 K8 H9 H10S2-K6 PolarHBondContact O-N 3.37Å; C3-K6 PolarHBondContact O-N 3.36Å; K6-K8 PolarHBondContact O-N 3.11Å; K6-H9 WeakPolarHBondContact O-CB 3.46Å; K6-H9 PolarHBondContact O-N 3.22Å; K6-H10 PolarHBondContact O-CD2 3.07Å; K6-H10 PolarHBondContact O-N 3.33Å
7L87.8Confident84.8Confident9 Ų979.2 Ų79.25%0.04739%0.389CS..Hα-helixtrans-56.3-54176.7-179.859.3000110.7C3 I4 H9 H10 Q11 L32 L52 Y56 I89C3-L7 PolarHBondContact O-N 2.89Å; I4-L7 PolarHBondContact O-N 3.45Å; L7-H9 PolarHBondContact O-N 3.09Å; L7-H10 WeakPolarHBondContact O-CA 3.43Å; L7-H10 PolarHBondContact O-N 3.02Å; L7-Q11 HydrophobicContact CD1-CG 4.17Å; L7-Q11 HydrophobicContact CG-CG 4.26Å; L7-Q11 VanDerWaalsContact O-CG 3.25Å; L7-Q11 WeakPolarHBondContact O-CG 3.39Å; L7-Q11 PolarHBondContact O-N 2.82Å; L7-L32 HydrophobicContact CD2-CD2 4.11Å; L7-L32 WeakPolarHBondContact CD2-O 3.28Å; L7-L52 HydrophobicContact CD1-CD1 3.95Å; L7-L52 HydrophobicContact CD2-CD1 4.2Å; L7-Y56 HydrophobicContact CB-CD1 4.2Å; L7-Y56 HydrophobicContact CB-CE1 3.77Å; L7-Y56 HydrophobicContact CD1-CD1 4.26Å; L7-Y56 HydrophobicContact CD1-CE1 3.74Å; L7-Y56 HydrophobicContact CD1-CE2 4.46Å; L7-Y56 HydrophobicContact CD2-CD1 4.43Å; L7-Y56 HydrophobicContact CG-CE1 4.22Å; L7-I89 HydrophobicContact CD1-CG2 4.1Å
8K88.6Confident85.3Confident121 Ų12174.8 Ų74.853%0.52637%0.367SS..Hα-helixtrans-55.3-38.1177.7-74.8-172.7178.1-1690113.2I4 K6 Q11 Q12I4-K8 HydrophobicContact CG2-CD 4.26Å; I4-K8 HydrophobicContact CG2-CG 4.4Å; I4-K8 WeakPolarHBondContact O-CB 3.06Å; I4-K8 WeakPolarHBondContact O-CG 3.35Å; I4-K8 PolarHBondContact O-N 3.3Å; K6-K8 PolarHBondContact O-N 3.11Å; K8-Q11 PolarHBondContact O-N 3.29Å; K8-Q12 PolarHBondContact O-N 3.23Å
9H90.6Very high85.8Confident109 Ų10973.5 Ų73.551%0.50537%0.365SS..Hα-helixtrans-64-46.4174.3-178.759.8000111.8K5 K6 L7 Q11 Q12 V13K5-H9 WeakPolarHBondContact O-CB 3.37Å; K5-H9 PolarHBondContact O-N 2.86Å; K5-H9 VanDerWaalsContact O-N 3.08Å; K6-H9 WeakPolarHBondContact O-CB 3.46Å; K6-H9 PolarHBondContact O-N 3.22Å; L7-H9 PolarHBondContact O-N 3.09Å; H9-Q11 VanDerWaalsContact C-N 3.31Å; H9-Q11 PolarHBondContact O-N 3.46Å; H9-Q12 PolarHBondContact O-N 3.45Å; H9-V13 VanDerWaalsContact O-CG2 3.3Å; H9-V13 WeakPolarHBondContact O-CG2 3.4Å; H9-V13 PolarHBondContact O-N 3.39Å
10H90.4Very high86Confident27 Ų2778.7 Ų78.713%0.12538%0.38CS..Hα-helixtrans-63.7-38.9177.9-59.6-172.3000111.3K6 L7 V13 L14 Y56 I89 D90K6-H10 PolarHBondContact O-CD2 3.07Å; K6-H10 PolarHBondContact O-N 3.33Å; L7-H10 WeakPolarHBondContact O-CA 3.43Å; L7-H10 PolarHBondContact O-N 3.02Å; H10-V13 PolarHBondContact O-N 3.48Å; H10-L14 WeakPolarHBondContact O-CB 3.33Å; H10-L14 VanDerWaalsContact O-CG 3.27Å; H10-L14 WeakPolarHBondContact O-CG 3.46Å; H10-L14 PolarHBondContact O-N 2.83Å; H10-Y56 PolarHBondContact ND1-OH 2.89Å; H10-I89 HydrophobicContact CB-CG2 3.51Å; H10-D90 HydrophobicContact CB-CB 4.34Å; H10-D90 IonicContact CE1-OD1 3.1Å; H10-D90 PolarHBondContact CE1-OD1 3.5Å; H10-D90 VanDerWaalsContact CE1-OD1 3.24Å; H10-D90 IonicContact CE1-OD2 3.99Å; H10-D90 IonicContact CG-OD1 3.6Å; H10-D90 IonicContact ND1-OD1 3.2Å; H10-D90 PolarHBondContact ND1-OD1 3.23Å
11Q91.2Very high86.2Confident19 Ų1979.5 Ų79.59%0.08939%0.394CS..Hα-helixtrans-60.4-46.2175.6-65.7179.8-26.700111.9L7 K8 H9 L14 Q15 C30 T31L7-Q11 HydrophobicContact CD1-CG 4.17Å; L7-Q11 HydrophobicContact CG-CG 4.26Å; L7-Q11 VanDerWaalsContact O-CG 3.25Å; L7-Q11 WeakPolarHBondContact O-CG 3.39Å; L7-Q11 PolarHBondContact O-N 2.82Å; K8-Q11 PolarHBondContact O-N 3.29Å; H9-Q11 VanDerWaalsContact C-N 3.31Å; H9-Q11 PolarHBondContact O-N 3.46Å; Q11-L14 PolarHBondContact O-N 3.5Å; Q11-Q15 WeakPolarHBondContact O-CB 3.41Å; Q11-Q15 WeakPolarHBondContact O-CG 3.43Å; Q11-Q15 PolarHBondContact O-N 3.24Å; Q11-C30 HydrophobicContact CG-CB 4.37Å; Q11-C30 WeakPolarHBondContact CG-SG 2.98Å; Q11-T31 PolarHBondContact NE2-O 3.17Å
12Q91.5Very high88.2Confident105 Ų10570.9 Ų70.949%0.49135%0.351SS..Hα-helixtrans-61.1-48.4177.6-175.6179.9-4.400111.1K8 H9 L14 Q15 E16K8-Q12 PolarHBondContact O-N 3.23Å; H9-Q12 PolarHBondContact O-N 3.45Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 3.46Å; Q12-Q15 PolarHBondContact O-N 3.3Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.05Å; Q12-E16 PolarHBondContact NE2-OE1 3.27Å; Q12-E16 WeakPolarHBondContact O-CG 3.41Å; Q12-E16 PolarHBondContact O-N 3.23Å
13V92.5Very high89.4Confident40 Ų4072.2 Ų72.224%0.24236%0.358CS..Hα-helixtrans-59-42.8178.7168.10000111.4H9 H10 E16 M17 L115H9-V13 VanDerWaalsContact O-CG2 3.3Å; H9-V13 WeakPolarHBondContact O-CG2 3.4Å; H9-V13 PolarHBondContact O-N 3.39Å; H10-V13 PolarHBondContact O-N 3.48Å; V13-E16 PolarHBondContact O-N 3.45Å; V13-M17 HydrophobicContact CG1-CE 3.25Å; V13-M17 WeakPolarHBondContact O-CE 3.4Å; V13-M17 PolarHBondContact O-N 3.04Å; V13-L115 HydrophobicContact CG1-CD1 4.42Å
14L93.7Very high90.1Very high1 Ų171.2 Ų71.21%0.00535%0.345CS..Hα-helixtrans-67.5-40.1177.5-74.2174.1000113H10 Q11 Q12 E16 F18 I27 I35 I89 V93 L115H10-L14 WeakPolarHBondContact O-CB 3.33Å; H10-L14 VanDerWaalsContact O-CG 3.27Å; H10-L14 WeakPolarHBondContact O-CG 3.46Å; H10-L14 PolarHBondContact O-N 2.83Å; Q11-L14 PolarHBondContact O-N 3.5Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 3.46Å; L14-E16 VanDerWaalsContact C-N 3.35Å; L14-F18 HydrophobicContact CD2-CD2 4.35Å; L14-F18 WeakPolarHBondContact O-CB 3.33Å; L14-F18 PolarHBondContact O-N 2.64Å; L14-I27 HydrophobicContact CB-CG1 4.35Å; L14-I35 HydrophobicContact CD1-CD1 4Å; L14-I89 HydrophobicContact CD1-CB 4.42Å; L14-I89 HydrophobicContact CD1-CG1 3.92Å; L14-I89 HydrophobicContact CD1-CG2 3.89Å; L14-V93 HydrophobicContact CD1-CG2 3.98Å; L14-V93 HydrophobicContact CD2-CB 3.87Å; L14-V93 HydrophobicContact CD2-CG1 3.78Å; L14-V93 HydrophobicContact CD2-CG2 4.16Å; L14-L115 HydrophobicContact CD2-CD1 3.91Å; L14-L115 HydrophobicContact CD2-CD2 4.12Å
15Q92.4Very high90.7Very high90 Ų9067.1 Ų67.142%0.42132%0.324SS..Hα-helixtrans-68.5-34.3177.1-73.9175.7-9.500112.4Q11 Q12 I27Q11-Q15 WeakPolarHBondContact O-CB 3.41Å; Q11-Q15 WeakPolarHBondContact O-CG 3.43Å; Q11-Q15 PolarHBondContact O-N 3.24Å; Q12-Q15 PolarHBondContact O-N 3.3Å; Q15-I27 HydrophobicContact CG-CB 4.46Å; Q15-I27 HydrophobicContact CG-CG2 3.95Å
16E91.9Very high91.2Very high128 Ų12863.6 Ų63.660%0.59831%0.307SS*.Hα-helixtrans-69.5-42.6175.4-75.4174.8-167.900111.9Q12 V13 L14Q12-E16 WeakPolarHBondContact CG-OE1 3.05Å; Q12-E16 PolarHBondContact NE2-OE1 3.27Å; Q12-E16 WeakPolarHBondContact O-CG 3.41Å; Q12-E16 PolarHBondContact O-N 3.23Å; V13-E16 PolarHBondContact O-N 3.45Å; L14-E16 VanDerWaalsContact C-N 3.35Å
17M92Very high91.7Very high30 Ų3058.9 Ų58.915%0.14829%0.286CS..Hα-helixtrans-77.9-34179.2-77.9-172-69.600113.8V13 P19 E111 N114 L115V13-M17 HydrophobicContact CG1-CE 3.25Å; V13-M17 WeakPolarHBondContact O-CE 3.4Å; V13-M17 PolarHBondContact O-N 3.04Å; M17-P19 WeakPolarHBondContact O-CD 3.49Å; M17-E111 HydrophobicContact CB-CB 4.3Å; M17-N114 HydrophobicContact SD-CB 4.17Å; M17-L115 HydrophobicContact CE-CB 3.69Å; M17-L115 HydrophobicContact CE-CD1 3.36Å; M17-L115 HydrophobicContact CE-CG 4.06Å; M17-L115 HydrophobicContact SD-CB 3.95Å
18F94.1Very high91.8Very high0 Ų061.9 Ų61.90%030%0.302CS..SBendtrans-125.367.4-176.5-60.4-65.5000111.5L14 H22 F25 I27 V93 P109 E111 L112 L115L14-F18 HydrophobicContact CD2-CD2 4.35Å; L14-F18 WeakPolarHBondContact O-CB 3.33Å; L14-F18 PolarHBondContact O-N 2.64Å; F18-H22 AromaticContact CD1-CE1 3.73Å; F18-H22 AromaticContact CD1-ND1 3.81Å; F18-H22 AromaticContact CE1-CE1 3.95Å; F18-F25 HydrophobicContact CB-CD1 4.06Å; F18-F25 HydrophobicContact CD1-CB 4.22Å; F18-F25 HydrophobicContact CD1-CD1 4.03Å; F18-F25 HydrophobicContact CD2-CD1 4.1Å; F18-F25 AromaticContact CG-CD1 3.79Å; F18-F25 HydrophobicContact CG-CD1 3.79Å; F18-I27 HydrophobicContact CB-CG1 4.01Å; F18-I27 PolarHBondContact O-N 3.47Å; F18-V93 HydrophobicContact CD2-CG1 4.48Å; F18-V93 HydrophobicContact CE2-CG1 4.28Å; F18-P109 HydrophobicContact CE1-CB 4.24Å; F18-E111 HydrophobicContact CE1-CB 4.02Å; F18-E111 HydrophobicContact CZ-CB 4.13Å; F18-L112 HydrophobicContact CZ-CD2 3.92Å; F18-L112 HydrophobicContact CZ-CG 4.2Å; F18-L115 HydrophobicContact CE2-CD2 4.08Å
19P93.3Very high91.8Very high49 Ų4957.8 Ų57.832%0.31829%0.288SS..  trans-64.1165.5179.127.3-36000111.8M17 S21 H22M17-P19 WeakPolarHBondContact O-CD 3.49Å; P19-S21 PolarHBondContact O-N 3.14Å; P19-H22 HydrophobicContact CG-CB 4.17Å; P19-H22 WeakPolarHBondContact O-CB 3.4Å; P19-H22 PolarHBondContact O-N 2.96Å
20R90.6Very high91.7Very high177 Ų17753.5 Ų53.567%0.66827%0.271SS*.THydrogen-bonded Turntrans-57.2-18.1177.9-68.8-177.9178.1179.9-0.4114.6R26 I27 I28R20-R26 WeakPolarHBondContact O-CD 3.39Å; R20-R26 PolarHBondContact O-NE 2.92Å; R20-I27 VanDerWaalsContact CG-O 3.31Å; R20-I27 WeakPolarHBondContact CG-O 3.41Å; R20-I28 VanDerWaalsContact CZ-O 3.29Å; R20-I28 PolarHBondContact NE-O 2.67Å; R20-I28 PolarHBondContact NH2-O 3.06Å
21S90.1Very high91.4Very high96 Ų9654.6 Ų54.667%0.67128%0.279SS*.THydrogen-bonded Turntrans-95.1-5.7177.355.20000114P19P19-S21 PolarHBondContact O-N 3.14Å
22H91.7Very high90.9Very high14 Ų1456.8 Ų56.87%0.06529%0.291CS..  trans-61.1137.3-173.3-176.3-96.2000111.2F18 P19 R24 F25 R26 E111F18-H22 AromaticContact CD1-CE1 3.73Å; F18-H22 AromaticContact CD1-ND1 3.81Å; F18-H22 AromaticContact CE1-CE1 3.95Å; P19-H22 HydrophobicContact CG-CB 4.17Å; P19-H22 WeakPolarHBondContact O-CB 3.4Å; P19-H22 PolarHBondContact O-N 2.96Å; H22-R24 VanDerWaalsContact C-N 3.34Å; H22-R24 PolarHBondContact ND1-N 3.05Å; H22-R24 PolarHBondContact O-N 3.11Å; H22-F25 VanDerWaalsContact CB-O 3.26Å; H22-F25 WeakPolarHBondContact CB-O 3.44Å; H22-F25 VanDerWaalsContact CG-O 3.24Å; H22-F25 PolarHBondContact ND1-N 3.34Å; H22-F25 PolarHBondContact ND1-O 3.34Å; H22-R26 HydrophobicContact CB-CG 4.26Å; H22-R26 WeakPolarHBondContact O-CG 3.34Å; H22-R26 PolarHBondContact O-NE 2.63Å; H22-E111 IonicContact NE2-OE1 3.35Å; H22-E111 IonicContact NE2-OE2 3.85Å; H22-E111 PolarHBondContact NE2-OE2 3.23Å
23P89.6Confident90.2Very high93 Ų9354.5 Ų54.560%0.60428%0.282SS*.SBendtrans-72.4-23.3-167.726.2-35.5000114.3
24R91.2Very high89.9Confident44 Ų4453.4 Ų53.417%0.16628%0.275CS..SBendtrans-113.6-42.6-172.5-172.360.666.3-158.64.5114.5H22 F39 I40 D42 P109H22-R24 VanDerWaalsContact C-N 3.34Å; H22-R24 PolarHBondContact ND1-N 3.05Å; H22-R24 PolarHBondContact O-N 3.11Å; R24-F39 HydrophobicContact CG-CE2 4.03Å; R24-I40 VanDerWaalsContact CD-O 3.23Å; R24-I40 WeakPolarHBondContact CD-O 3.27Å; R24-I40 PolarHBondContact NH1-O 2.95Å; R24-I40 PolarHBondContact O-N 3.07Å; R24-D42 IonicContact NH1-OD1 2.89Å; R24-D42 IonicContact NH2-OD1 3.02Å; R24-P109 HydrophobicContact CB-CG 3.97Å; R24-P109 HydrophobicContact CG-CG 3.86Å
25F94Very high89.7Confident0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-144.6129-177.8-174.7-103000110.2F18 H22 I27 C37 S38 F39 V93 L96 V97F18-F25 HydrophobicContact CB-CD1 4.06Å; F18-F25 HydrophobicContact CD1-CB 4.22Å; F18-F25 HydrophobicContact CD1-CD1 4.03Å; F18-F25 HydrophobicContact CD2-CD1 4.1Å; F18-F25 AromaticContact CG-CD1 3.79Å; F18-F25 HydrophobicContact CG-CD1 3.79Å; H22-F25 VanDerWaalsContact CB-O 3.26Å; H22-F25 WeakPolarHBondContact CB-O 3.44Å; H22-F25 VanDerWaalsContact CG-O 3.24Å; H22-F25 PolarHBondContact ND1-N 3.34Å; H22-F25 PolarHBondContact ND1-O 3.34Å; F25-I27 HydrophobicContact CD1-CD1 4.4Å; F25-I27 HydrophobicContact CE1-CD1 3.57Å; F25-I27 HydrophobicContact CZ-CD1 4.19Å; F25-C37 HydrophobicContact CE1-CB 4.09Å; F25-C37 HydrophobicContact CE2-CB 3.84Å; F25-C37 HydrophobicContact CZ-CB 3.45Å; F25-C37 VanDerWaalsContact CZ-CB 3.45Å; F25-C37 WeakPolarHBondContact CZ-SG 3.5Å; F25-S38 CarbonylContact C-O 3.6Å; F25-S38 WeakPolarHBondContact CA-O 3.39Å; F25-F39 HydrophobicContact CB-CD2 4.5Å; F25-F39 HydrophobicContact CD2-CB 4.1Å; F25-F39 HydrophobicContact CD2-CD2 4.08Å; F25-V93 HydrophobicContact CD1-CG1 4.39Å; F25-V93 HydrophobicContact CE1-CG1 3.61Å; F25-V93 HydrophobicContact CZ-CG1 4.12Å; F25-L96 HydrophobicContact CE2-CD2 4.39Å; F25-L96 HydrophobicContact CZ-CD2 4.37Å; F25-V97 HydrophobicContact CB-CG1 4.24Å; F25-V97 HydrophobicContact CB-CG2 4.18Å; F25-V97 HydrophobicContact CD1-CG2 3.6Å; F25-V97 HydrophobicContact CD2-CG2 3.67Å; F25-V97 HydrophobicContact CE1-CG2 3.75Å; F25-V97 HydrophobicContact CE2-CG2 3.8Å; F25-V97 HydrophobicContact CG-CG1 4.46Å; F25-V97 HydrophobicContact CG-CG2 3.54Å; F25-V97 HydrophobicContact CZ-CG2 3.83Å
26R94Very high89.6Confident78 Ų7849.6 Ų49.629%0.29426%0.258SS..EExtended strand (participates in β ladder)trans-127.3134.1-172.6-57.8166172.3174.35.8109.9R20 H22 I28 C37 S38 I40R20-R26 WeakPolarHBondContact O-CD 3.39Å; R20-R26 PolarHBondContact O-NE 2.92Å; H22-R26 HydrophobicContact CB-CG 4.26Å; H22-R26 WeakPolarHBondContact O-CG 3.34Å; H22-R26 PolarHBondContact O-NE 2.63Å; R26-I28 HydrophobicContact CB-CD1 4.17Å; R26-C37 CarbonylContact O-C 3.5Å; R26-C37 WeakPolarHBondContact O-CA 2.98Å; R26-C37 VanDerWaalsContact O-CB 3.26Å; R26-C37 WeakPolarHBondContact O-CB 3.48Å; R26-S38 WeakPolarHBondContact CB-OG 3.48Å; R26-S38 PolarHBondContact N-O 3.4Å; R26-S38 PolarHBondContact O-N 2.71Å; R26-I40 HydrophobicContact CG-CD1 4.5Å; R26-I40 VanDerWaalsContact NH2-CD1 3.27Å
27I93.8Very high89.7Confident6 Ų643.7 Ų43.73%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-84.5117.2164.8-58-50.2000108.6L14 Q15 F18 R20 F25 C30 I35 C37L14-I27 HydrophobicContact CB-CG1 4.35Å; Q15-I27 HydrophobicContact CG-CB 4.46Å; Q15-I27 HydrophobicContact CG-CG2 3.95Å; F18-I27 HydrophobicContact CB-CG1 4.01Å; F18-I27 PolarHBondContact O-N 3.47Å; R20-I27 VanDerWaalsContact CG-O 3.31Å; R20-I27 WeakPolarHBondContact CG-O 3.41Å; F25-I27 HydrophobicContact CD1-CD1 4.4Å; F25-I27 HydrophobicContact CE1-CD1 3.57Å; F25-I27 HydrophobicContact CZ-CD1 4.19Å; I27-C30 HydrophobicContact CG2-CB 4.27Å; I27-I35 HydrophobicContact CD1-CD1 3.8Å; I27-I35 HydrophobicContact CD1-CG1 4.27Å; I27-C37 HydrophobicContact CD1-CB 3.8Å
28I90.3Very high89.7Confident72 Ų7242.8 Ų42.837%0.36923%0.228SC..EExtended strand (participates in β ladder)trans-85.9-52.2-179.9-54.4-57000109.7R20 R26 S36R20-I28 VanDerWaalsContact CZ-O 3.29Å; R20-I28 PolarHBondContact NE-O 2.67Å; R20-I28 PolarHBondContact NH2-O 3.06Å; R26-I28 HydrophobicContact CB-CD1 4.17Å; I28-S36 PolarHBondContact N-O 3.27Å
29S88.5Confident89.7Confident35 Ų3542.9 Ų42.925%0.24523%0.228CC..EExtended strand (participates in β ladder)trans-144.8152176.552.40000110.4S36S29-S36 PolarHBondContact N-O 2.88Å; S29-S36 PolarHBondContact O-N 2.75Å; S29-S36 VanDerWaalsContact OG-CB 3.29Å; S29-S36 WeakPolarHBondContact OG-CB 3.29Å; S29-S36 PolarHBondContact OG-OG 3.06Å
30C87.9Confident89.6Confident20 Ų2042.3 Ų42.314%0.13522%0.222CC..EExtended strand (participates in β ladder)trans-146.9112.8172-155.90000109.4Q11 I27 E34 I35Q11-C30 HydrophobicContact CG-CB 4.37Å; Q11-C30 WeakPolarHBondContact CG-SG 2.98Å; I27-C30 HydrophobicContact CG2-CB 4.27Å; C30-E34 CarbonylContact C-O 3.54Å; C30-E34 WeakPolarHBondContact CA-O 3.28Å; C30-I35 HydrophobicContact CB-CG1 4.48Å
31T84.8Confident89.4Confident49 Ų4934.4 Ų34.430%0.30119%0.194SC..  trans-112.6179178.270.20000109.5Q11 D33 E34Q11-T31 PolarHBondContact NE2-O 3.17Å; T31-D33 PolarHBondContact O-N 2.88Å; T31-E34 PolarHBondContact N-O 3.2Å; T31-E34 WeakPolarHBondContact OG1-CB 3.44Å; T31-E34 PolarHBondContact OG1-N 3.02Å
32L80Confident88.8Confident65 Ų6536 Ų3634%0.3420%0.195SC..SBendtrans-62.6-29.8179.8-67.7176.2000113I4 L7 L52I4-L32 HydrophobicContact CG2-CD2 4.1Å; L7-L32 HydrophobicContact CD2-CD2 4.11Å; L7-L32 WeakPolarHBondContact CD2-O 3.28Å; L32-L52 WeakPolarHBondContact O-CD1 3.48Å
33D78.3Confident87.9Confident58 Ų5843.2 Ų43.231%0.3123%0.233SC..SBendtrans-110.3-2.7-172.8-48.8-51.5000112.4T31 L52T31-D33 PolarHBondContact O-N 2.88Å; D33-L52 PolarHBondContact O-N 2.92Å
34E85.4Confident87.5Confident17 Ų1741.6 Ų41.68%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-155144.5-170.8-164.7-16780.900114.2C30 T31 S36 T49 G50 A298 R349C30-E34 CarbonylContact C-O 3.54Å; C30-E34 WeakPolarHBondContact CA-O 3.28Å; T31-E34 PolarHBondContact N-O 3.2Å; T31-E34 WeakPolarHBondContact OG1-CB 3.44Å; T31-E34 PolarHBondContact OG1-N 3.02Å; E34-S36 PolarHBondContact OE1-OG 3.26Å; E34-T49 HydrophobicContact CG-CG2 3.69Å; E34-G50 CarbonylContact C-O 3.54Å; E34-G50 WeakPolarHBondContact CA-O 3.46Å; E34-A298 HydrophobicContact CG-CB 4.07Å; E34-A298 WeakPolarHBondContact OE2-CB 3.3Å; E34-R349 IonicContact OE1-CZ 3.68Å; E34-R349 IonicContact OE1-NH2 3.4Å; E34-R349 PolarHBondContact OE1-NH2 3.42Å; E34-R349 IonicContact OE2-CZ 2.95Å; E34-R349 IonicContact OE2-NE 3.23Å; E34-R349 IonicContact OE2-NH2 2.74Å; E34-R349 PolarHBondContact OE2-NH2 3.46Å
35I90.7Very high87.2Confident0 Ų046.9 Ų46.90%025%0.245CC..EExtended strand (participates in β ladder)trans-123.4124.6162.4-175.6163.5000109.9L14 I27 C30 T49 G50 W63 I89 V93L14-I35 HydrophobicContact CD1-CD1 4Å; I27-I35 HydrophobicContact CD1-CD1 3.8Å; I27-I35 HydrophobicContact CD1-CG1 4.27Å; C30-I35 HydrophobicContact CB-CG1 4.48Å; I35-T49 CarbonylContact O-C 3.59Å; I35-T49 WeakPolarHBondContact O-CA 3.45Å; I35-G50 WeakPolarHBondContact CG2-O 3.35Å; I35-G50 PolarHBondContact N-O 3.29Å; I35-G50 PolarHBondContact O-N 2.82Å; I35-W63 HydrophobicContact CG2-CH2 3.53Å; I35-W63 HydrophobicContact CG2-CZ2 4.33Å; I35-W63 HydrophobicContact CG2-CZ3 3.74Å; I35-I89 HydrophobicContact CB-CD1 3.69Å; I35-I89 HydrophobicContact CD1-CD1 3.65Å; I35-I89 HydrophobicContact CD1-CG1 3.96Å; I35-I89 HydrophobicContact CG1-CD1 4.27Å; I35-I89 HydrophobicContact CG2-CD1 3.54Å; I35-I89 HydrophobicContact CG2-CG1 4.31Å; I35-V93 HydrophobicContact CD1-CG2 4.15Å
36S88.9Confident86.9Confident11 Ų1147.7 Ų47.78%0.07725%0.249CC..EExtended strand (participates in β ladder)trans-108.8130.8170.4-54.80000109.4I28 S29 E34 R349I28-S36 PolarHBondContact N-O 3.27Å; S29-S36 PolarHBondContact N-O 2.88Å; S29-S36 PolarHBondContact O-N 2.75Å; S29-S36 VanDerWaalsContact OG-CB 3.29Å; S29-S36 WeakPolarHBondContact OG-CB 3.29Å; S29-S36 PolarHBondContact OG-OG 3.06Å; E34-S36 PolarHBondContact OE1-OG 3.26Å; S36-R349 PolarHBondContact OG-NH2 2.82Å
37C94.2Very high86.7Confident3 Ų347.5 Ų47.52%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-141.4159.4-176.653.90000111.3F25 R26 I27 I48F25-C37 HydrophobicContact CE1-CB 4.09Å; F25-C37 HydrophobicContact CE2-CB 3.84Å; F25-C37 HydrophobicContact CZ-CB 3.45Å; F25-C37 VanDerWaalsContact CZ-CB 3.45Å; F25-C37 WeakPolarHBondContact CZ-SG 3.5Å; R26-C37 CarbonylContact O-C 3.5Å; R26-C37 WeakPolarHBondContact O-CA 2.98Å; R26-C37 VanDerWaalsContact O-CB 3.26Å; R26-C37 WeakPolarHBondContact O-CB 3.48Å; I27-C37 HydrophobicContact CD1-CB 3.8Å; C37-I48 PolarHBondContact N-O 3.25Å; C37-I48 PolarHBondContact O-N 2.97Å; C37-I48 PolarHBondContact SG-O 2.83Å
38S92.4Very high86.6Confident12 Ų1247.2 Ų47.28%0.08425%0.25CS..EExtended strand (participates in β ladder)trans-127.9129.2176.269.50000110.3F25 R26 L46F25-S38 CarbonylContact C-O 3.6Å; F25-S38 WeakPolarHBondContact CA-O 3.39Å; R26-S38 WeakPolarHBondContact CB-OG 3.48Å; R26-S38 PolarHBondContact N-O 3.4Å; R26-S38 PolarHBondContact O-N 2.71Å; S38-L46 CarbonylContact C-O 3.55Å; S38-L46 VanDerWaalsContact CA-O 3.31Å; S38-L46 WeakPolarHBondContact CA-O 3.21Å
39F93.8Very high86.4Confident2 Ų244.5 Ų44.51%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-100.3133.3170.9-177.2-94.5000109.8R24 F25 Y45 L46 I48 L100 K104 L106R24-F39 HydrophobicContact CG-CE2 4.03Å; F25-F39 HydrophobicContact CB-CD2 4.5Å; F25-F39 HydrophobicContact CD2-CB 4.1Å; F25-F39 HydrophobicContact CD2-CD2 4.08Å; F39-Y45 WeakPolarHBondContact O-CA 3.19Å; F39-L46 HydrophobicContact CB-CB 4.28Å; F39-L46 PolarHBondContact N-O 3.3Å; F39-L46 PolarHBondContact O-N 3.47Å; F39-I48 HydrophobicContact CB-CD1 4.21Å; F39-L100 HydrophobicContact CB-CD1 4.05Å; F39-L100 HydrophobicContact CD1-CB 4.37Å; F39-L100 HydrophobicContact CD1-CD1 4.48Å; F39-L100 HydrophobicContact CD2-CB 4.02Å; F39-L100 HydrophobicContact CD2-CD1 3.98Å; F39-L100 HydrophobicContact CE1-CB 4.15Å; F39-L100 HydrophobicContact CE2-CB 3.78Å; F39-L100 HydrophobicContact CG-CB 4.31Å; F39-L100 HydrophobicContact CG-CD1 3.92Å; F39-L100 HydrophobicContact CZ-CB 3.84Å; F39-K104 HydrophobicContact CE1-CG 4.21Å; F39-L106 HydrophobicContact CE1-CD1 4.13Å; F39-L106 HydrophobicContact CZ-CD1 3.93Å
40I91.4Very high86.5Confident36 Ų3642.8 Ų42.819%0.18523%0.225CC..EExtended strand (participates in β ladder)trans-113.6125.8-173.9-61177.1000109.3R24 R26R24-I40 VanDerWaalsContact CD-O 3.23Å; R24-I40 WeakPolarHBondContact CD-O 3.27Å; R24-I40 PolarHBondContact NH1-O 2.95Å; R24-I40 PolarHBondContact O-N 3.07Å; R26-I40 HydrophobicContact CG-CD1 4.5Å; R26-I40 VanDerWaalsContact NH2-CD1 3.27Å
41C86.9Confident86.3Confident12 Ų1242 Ų428%0.08122%0.22CC..EExtended strand (participates in β ladder)trans-116.9159.9170.526.20000109.2N43 C44 L106C41-N43 PolarHBondContact O-N 3.24Å; C41-C44 CarbonylContact C-O 3.59Å; C41-C44 HydrophobicContact CB-CB 4.42Å; C41-C44 WeakPolarHBondContact CB-SG 3.25Å; C41-C44 PolarHBondContact N-O 2.66Å; C41-C44 PolarHBondContact O-N 3.38Å; C41-C44 VanDerWaalsContact O-N 3.1Å; C41-C44 WeakPolarHBondContact SG-CB 3.05Å; C41-C44 PolarHBondContact SG-O 3.07Å; C41-C44 CovalentContact SG-SG 2.04Å; C41-C44 PolarHBondContact SG-SG 3.43Å; C41-L106 HydrophobicContact CB-CD1 4.33Å
42D76.2Confident86.3Confident129 Ų12940.1 Ų40.169%0.6921%0.208SC*.THydrogen-bonded Turntrans-57.1-25.2-169.1-59.3-15.7000113.5R24R24-D42 IonicContact NH1-OD1 2.89Å; R24-D42 IonicContact NH2-OD1 3.02Å
43N74Confident86.2Confident165 Ų16540 Ų4088%0.88221%0.207SC*.THydrogen-bonded Turntrans-126.88.7177.4-67-21.6000114.3C41C41-N43 PolarHBondContact O-N 3.24Å
44C79.9Confident85.8Confident60 Ų6040.4 Ų40.441%0.40523%0.225SC..EExtended strand (participates in β ladder)trans-148153-176.145.20000112.3C41C41-C44 CarbonylContact C-O 3.59Å; C41-C44 HydrophobicContact CB-CB 4.42Å; C41-C44 WeakPolarHBondContact CB-SG 3.25Å; C41-C44 PolarHBondContact N-O 2.66Å; C41-C44 PolarHBondContact O-N 3.38Å; C41-C44 VanDerWaalsContact O-N 3.1Å; C41-C44 WeakPolarHBondContact SG-CB 3.05Å; C41-C44 PolarHBondContact SG-O 3.07Å; C41-C44 CovalentContact SG-SG 2.04Å; C41-C44 PolarHBondContact SG-SG 3.43Å
45Y85.2Confident85.4Confident154 Ų15442.9 Ų42.960%0.60424%0.242SC*.EExtended strand (participates in β ladder)trans-124137.7164.979.7-77.7000107.8F39 E47F39-Y45 WeakPolarHBondContact O-CA 3.19Å; Y45-E47 HydrophobicContact CD2-CG 4.03Å; Y45-E47 HydrophobicContact CE2-CG 3.76Å
46L88.6Confident85Confident18 Ų1843.8 Ų43.89%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-116.7113.4-179.8179.166000107.9S38 F39 I48 V72 L100S38-L46 CarbonylContact C-O 3.55Å; S38-L46 VanDerWaalsContact CA-O 3.31Å; S38-L46 WeakPolarHBondContact CA-O 3.21Å; F39-L46 HydrophobicContact CB-CB 4.28Å; F39-L46 PolarHBondContact N-O 3.3Å; F39-L46 PolarHBondContact O-N 3.47Å; L46-I48 HydrophobicContact CD2-CD1 3.79Å; L46-I48 HydrophobicContact CD2-CG1 3.94Å; L46-I48 HydrophobicContact CG-CD1 4.07Å; L46-I48 HydrophobicContact CG-CG1 3.72Å; L46-V72 HydrophobicContact CD1-CG1 4.38Å; L46-V72 HydrophobicContact CD2-CG1 3.82Å; L46-V72 HydrophobicContact CD2-CG2 4.02Å; L46-L100 HydrophobicContact CD2-CD1 4.45Å; L46-L100 HydrophobicContact CD2-CD2 3.91Å
47E88.9Confident84.9Confident73 Ų7345.1 Ų45.134%0.34125%0.253SS..EExtended strand (participates in β ladder)trans-82.8125.6170.6-75.5-178.4161.300109.5Y45 S65 R348Y45-E47 HydrophobicContact CD2-CG 4.03Å; Y45-E47 HydrophobicContact CE2-CG 3.76Å; E47-S65 VanDerWaalsContact O-CA 3.29Å; E47-S65 WeakPolarHBondContact O-CA 3.18Å; E47-S65 WeakPolarHBondContact O-CB 3.41Å; E47-R348 IonicContact OE2-CZ 2.6Å; E47-R348 IonicContact OE2-NH1 3.53Å; E47-R348 PolarHBondContact OE2-NH1 3.34Å; E47-R348 IonicContact OE2-NH2 2.77Å; E47-R348 PolarHBondContact OE2-NH2 2.83Å
48I91.6Very high84.4Confident1 Ų152.6 Ų52.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-127.2131.2-175.8-51.5172.4000107.9C37 F39 L46 W63 F64 F76 L96 L100C37-I48 PolarHBondContact N-O 3.25Å; C37-I48 PolarHBondContact O-N 2.97Å; C37-I48 PolarHBondContact SG-O 2.83Å; F39-I48 HydrophobicContact CB-CD1 4.21Å; L46-I48 HydrophobicContact CD2-CD1 3.79Å; L46-I48 HydrophobicContact CD2-CG1 3.94Å; L46-I48 HydrophobicContact CG-CD1 4.07Å; L46-I48 HydrophobicContact CG-CG1 3.72Å; I48-W63 HydrophobicContact CG2-CE3 3.73Å; I48-W63 HydrophobicContact CG2-CZ3 4.22Å; I48-F64 WeakPolarHBondContact CA-O 3.34Å; I48-F76 HydrophobicContact CG1-CZ 4.27Å; I48-F76 HydrophobicContact CG2-CE1 3.8Å; I48-F76 HydrophobicContact CG2-CZ 3.84Å; I48-L96 HydrophobicContact CD1-CD1 4.34Å; I48-L96 HydrophobicContact CD1-CD2 4.24Å; I48-L96 HydrophobicContact CG2-CD2 4.15Å; I48-L100 HydrophobicContact CD1-CD1 3.47Å; I48-L100 VanDerWaalsContact CD1-CD1 3.47Å
49T87.9Confident84Confident14 Ų1454 Ų549%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-121.3135.1174.3-58.30000109.2E34 I35 W63 F64 A298E34-T49 HydrophobicContact CG-CG2 3.69Å; I35-T49 CarbonylContact O-C 3.59Å; I35-T49 WeakPolarHBondContact O-CA 3.45Å; T49-W63 CarbonylContact O-C 3.53Å; T49-W63 WeakPolarHBondContact O-CA 3.47Å; T49-F64 HydrophobicContact CG2-CE1 4.32Å; T49-F64 HydrophobicContact CG2-CE2 3.67Å; T49-F64 HydrophobicContact CG2-CZ 3.44Å; T49-F64 VanDerWaalsContact CG2-CZ 3.44Å; T49-F64 PolarHBondContact N-O 2.95Å; T49-F64 WeakPolarHBondContact O-CD1 3.45Å; T49-F64 PolarHBondContact O-N 2.74Å; T49-A298 HydrophobicContact CG2-CB 4.15Å
50G89.6Confident83.7Confident0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans-114117.8172.900000109.8E34 I35 I62E34-G50 CarbonylContact C-O 3.54Å; E34-G50 WeakPolarHBondContact CA-O 3.46Å; I35-G50 WeakPolarHBondContact CG2-O 3.35Å; I35-G50 PolarHBondContact N-O 3.29Å; I35-G50 PolarHBondContact O-N 2.82Å; G50-I62 CarbonylContact C-O 3.55Å; G50-I62 VanDerWaalsContact CA-O 3.29Å; G50-I62 WeakPolarHBondContact CA-O 3.49Å
51S84.1Confident83.5Confident3 Ų352.8 Ų52.82%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-86.1125.8172.9-66.70000110.2P61 I62 F64 A298S51-P61 WeakPolarHBondContact O-CA 3.37Å; S51-I62 PolarHBondContact N-O 2.53Å; S51-I62 PolarHBondContact O-N 3Å; S51-F64 WeakPolarHBondContact OG-CE1 3.34Å; S51-A298 VanDerWaalsContact OG-CB 3.3Å; S51-A298 WeakPolarHBondContact OG-CB 3.27Å
52L85.1Confident83.5Confident9 Ų952.9 Ų52.95%0.04729%0.292CS..PPolyproline II helixtrans-93119.6175.3-64.7160.9000108.9L7 L32 D33 Y56 P61 I89L7-L52 HydrophobicContact CD1-CD1 3.95Å; L7-L52 HydrophobicContact CD2-CD1 4.2Å; L32-L52 WeakPolarHBondContact O-CD1 3.48Å; D33-L52 PolarHBondContact O-N 2.92Å; L52-Y56 HydrophobicContact CD2-CD2 3.72Å; L52-Y56 HydrophobicContact CD2-CE2 3.97Å; L52-Y56 HydrophobicContact CD2-CG 4.43Å; L52-P61 HydrophobicContact CD2-CB 4.15Å; L52-P61 HydrophobicContact CD2-CG 3.84Å; L52-I89 HydrophobicContact CD1-CD1 3.92Å; L52-I89 HydrophobicContact CD2-CD1 3.94Å; L52-I89 HydrophobicContact CG-CD1 4.28Å
53L76.9Confident84.1Confident63 Ų6347 Ų4733%0.3326%0.26SS..PPolyproline II helixtrans-77.1153.1176.2-60.2175.9000110.7T55 Y56 I62 L297L53-T55 PolarHBondContact O-N 3.09Å; L53-Y56 WeakPolarHBondContact O-CB 3.06Å; L53-Y56 PolarHBondContact O-N 2.81Å; L53-I62 HydrophobicContact CD1-CD1 4.23Å; L53-I62 HydrophobicContact CD2-CD1 4.17Å; L53-I62 HydrophobicContact CG-CD1 4.41Å; L53-L297 HydrophobicContact CD2-CD2 4.47Å
54G70.4Confident84.6Confident67 Ų6739.4 Ų39.469%0.69122%0.22SC*.THydrogen-bonded Turntrans-59.2-12.8177.400000114.8Y56G54-Y56 VanDerWaalsContact C-N 3.33Å
55T77.9Confident84.9Confident69 Ų6937.3 Ų37.342%0.42321%0.206SC..THydrogen-bonded Turntrans-83.80.3174.150.30000113.9L53 Q58 S59L53-T55 PolarHBondContact O-N 3.09Å; T55-Q58 WeakPolarHBondContact O-CA 3.45Å; T55-Q58 WeakPolarHBondContact O-CB 2.87Å; T55-Q58 WeakPolarHBondContact O-CG 3.49Å; T55-Q58 PolarHBondContact O-N 3.49Å; T55-S59 WeakPolarHBondContact CB-OG 3.47Å; T55-S59 VanDerWaalsContact OG1-CB 3.28Å; T55-S59 WeakPolarHBondContact OG1-CB 3.31Å; T55-S59 PolarHBondContact OG1-OG 3.28Å
56Y81.2Confident84.3Confident19 Ų1932.2 Ų32.28%0.07519%0.189CC..THydrogen-bonded Turntrans-53.3135.9-179.3-179.6-90.4000113.2L7 H10 L52 L53 G54 T88 I89L7-Y56 HydrophobicContact CB-CD1 4.2Å; L7-Y56 HydrophobicContact CB-CE1 3.77Å; L7-Y56 HydrophobicContact CD1-CD1 4.26Å; L7-Y56 HydrophobicContact CD1-CE1 3.74Å; L7-Y56 HydrophobicContact CD1-CE2 4.46Å; L7-Y56 HydrophobicContact CD2-CD1 4.43Å; L7-Y56 HydrophobicContact CG-CE1 4.22Å; H10-Y56 PolarHBondContact ND1-OH 2.89Å; L52-Y56 HydrophobicContact CD2-CD2 3.72Å; L52-Y56 HydrophobicContact CD2-CE2 3.97Å; L52-Y56 HydrophobicContact CD2-CG 4.43Å; L53-Y56 WeakPolarHBondContact O-CB 3.06Å; L53-Y56 PolarHBondContact O-N 2.81Å; G54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-T88 WeakPolarHBondContact OH-CA 3.32Å; Y56-I89 HydrophobicContact CE2-CB 4.5Å; Y56-I89 PolarHBondContact OH-N 3.23Å; Y56-I89 VanDerWaalsContact OH-N 3.15Å
57P87Confident83.9Confident38 Ų3833.3 Ų33.325%0.24720%0.198CC..THydrogen-bonded Turncis-94.622.42.938.8-36.7000113.9S59 Y87 T88P57-S59 VanDerWaalsContact C-N 3.26Å; P57-S59 PolarHBondContact O-N 3.22Å; P57-Y87 WeakPolarHBondContact O-CB 3.38Å; P57-T88 HydrophobicContact CB-CG2 3.98Å
58Q84.7Confident83.2Confident160 Ų16036.5 Ų36.575%0.74822%0.218SC*.SBendtrans-77.1-12.8-178.5-54.9-174.14.500113.3T55 Y87T55-Q58 WeakPolarHBondContact O-CA 3.45Å; T55-Q58 WeakPolarHBondContact O-CB 2.87Å; T55-Q58 WeakPolarHBondContact O-CG 3.49Å; T55-Q58 PolarHBondContact O-N 3.49Å; Q58-Y87 WeakPolarHBondContact O-CD2 3.37Å; Q58-Y87 VanDerWaalsContact O-CE2 3.3Å; Q58-Y87 WeakPolarHBondContact O-CE2 3.39Å
59S83.9Confident82.8Confident41 Ų4137.9 Ų37.929%0.28723%0.225SC..SBendtrans-128.7143.8176.8-520000109.8T55 P57T55-S59 WeakPolarHBondContact CB-OG 3.47Å; T55-S59 VanDerWaalsContact OG1-CB 3.28Å; T55-S59 WeakPolarHBondContact OG1-CB 3.31Å; T55-S59 PolarHBondContact OG1-OG 3.28Å; P57-S59 VanDerWaalsContact C-N 3.26Å; P57-S59 PolarHBondContact O-N 3.22Å
60S86.6Confident82.4Confident13 Ų1341.7 Ų41.79%0.09125%0.248CC..  trans-65143175.3-162.20000110.6L79 Q92S60-L79 PolarHBondContact OG-O 3.39Å; S60-Q92 PolarHBondContact OG-NE2 2.65Å; S60-Q92 VanDerWaalsContact OG-NE2 3.16Å; S60-Q92 PolarHBondContact OG-OE1 3.36Å
61P87.8Confident82.3Confident1 Ų144.9 Ų44.91%0.00626%0.262CS..  trans-58.6146.5168.3-18.630.9000111.4S51 L52 Y87 Q92S51-P61 WeakPolarHBondContact O-CA 3.37Å; L52-P61 HydrophobicContact CD2-CB 4.15Å; L52-P61 HydrophobicContact CD2-CG 3.84Å; P61-Y87 WeakPolarHBondContact CD-O 3.27Å; P61-Q92 HydrophobicContact CG-CG 3.98Å
62I85.2Confident82.5Confident13 Ų1344.8 Ų44.87%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-91.8109.4176-66.1171.8000108.6G50 S51 L53 F64 I360G50-I62 CarbonylContact C-O 3.55Å; G50-I62 VanDerWaalsContact CA-O 3.29Å; G50-I62 WeakPolarHBondContact CA-O 3.49Å; S51-I62 PolarHBondContact N-O 2.53Å; S51-I62 PolarHBondContact O-N 3Å; L53-I62 HydrophobicContact CD1-CD1 4.23Å; L53-I62 HydrophobicContact CD2-CD1 4.17Å; L53-I62 HydrophobicContact CG-CD1 4.41Å; I62-F64 HydrophobicContact CG2-CD1 4.12Å; I62-F64 HydrophobicContact CG2-CE1 4.46Å; I62-F64 WeakPolarHBondContact O-CD1 3.36Å; I62-F64 WeakPolarHBondContact O-CE1 3.45Å; I62-I360 HydrophobicContact CB-CD1 4.25Å; I62-I360 HydrophobicContact CD1-CD1 4.27Å; I62-I360 HydrophobicContact CG1-CD1 4.04Å; I62-I360 HydrophobicContact CG2-CD1 3.36Å
63W88.8Confident82.4Confident5 Ų546 Ų462%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-95.5142.4-179.1-63.396.1000112.4I35 I48 T49 F76 L79 Q92 V93 L96I35-W63 HydrophobicContact CG2-CH2 3.53Å; I35-W63 HydrophobicContact CG2-CZ2 4.33Å; I35-W63 HydrophobicContact CG2-CZ3 3.74Å; I48-W63 HydrophobicContact CG2-CE3 3.73Å; I48-W63 HydrophobicContact CG2-CZ3 4.22Å; T49-W63 CarbonylContact O-C 3.53Å; T49-W63 WeakPolarHBondContact O-CA 3.47Å; W63-F76 HydrophobicContact CB-CB 4.14Å; W63-F76 HydrophobicContact CB-CD1 3.58Å; W63-F76 HydrophobicContact CB-CE1 4.18Å; W63-F76 HydrophobicContact CB-CG 3.93Å; W63-L79 HydrophobicContact CB-CD1 4.41Å; W63-L79 HydrophobicContact CD2-CD1 4.49Å; W63-L79 HydrophobicContact CG-CD1 3.96Å; W63-Q92 HydrophobicContact CZ2-CB 3.85Å; W63-V93 HydrophobicContact CH2-CG2 3.78Å; W63-V93 HydrophobicContact CZ2-CG2 4.19Å; W63-L96 HydrophobicContact CD2-CD2 4.27Å; W63-L96 HydrophobicContact CE3-CD2 3.83Å; W63-L96 HydrophobicContact CH2-CD2 4.04Å; W63-L96 HydrophobicContact CZ2-CD2 4.47Å; W63-L96 HydrophobicContact CZ3-CD2 3.7Å
64F85Confident82.7Confident7 Ų744.5 Ų44.53%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-156.4162.417748.3-89000111.6I48 T49 S51 I62 F76 A298 L352 S353I48-F64 WeakPolarHBondContact CA-O 3.34Å; T49-F64 HydrophobicContact CG2-CE1 4.32Å; T49-F64 HydrophobicContact CG2-CE2 3.67Å; T49-F64 HydrophobicContact CG2-CZ 3.44Å; T49-F64 VanDerWaalsContact CG2-CZ 3.44Å; T49-F64 PolarHBondContact N-O 2.95Å; T49-F64 WeakPolarHBondContact O-CD1 3.45Å; T49-F64 PolarHBondContact O-N 2.74Å; S51-F64 WeakPolarHBondContact OG-CE1 3.34Å; I62-F64 HydrophobicContact CG2-CD1 4.12Å; I62-F64 HydrophobicContact CG2-CE1 4.46Å; I62-F64 WeakPolarHBondContact O-CD1 3.36Å; I62-F64 WeakPolarHBondContact O-CE1 3.45Å; F64-F76 VanDerWaalsContact C-CE2 3.48Å; F64-A298 HydrophobicContact CZ-CB 3.95Å; F64-L352 HydrophobicContact CD2-CB 3.54Å; F64-L352 HydrophobicContact CE2-CB 3.86Å; F64-S353 WeakPolarHBondContact CE2-OG 3.11Å; F64-S353 WeakPolarHBondContact CZ-OG 3.47Å
65S86Confident83.8Confident15 Ų1541.8 Ų41.811%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-146163.2177.375.10000111.3E47 S67 F76E47-S65 VanDerWaalsContact O-CA 3.29Å; E47-S65 WeakPolarHBondContact O-CA 3.18Å; E47-S65 WeakPolarHBondContact O-CB 3.41Å; S65-S67 PolarHBondContact O-N 3.33Å; S65-S67 PolarHBondContact OG-N 3.11Å; S65-F76 WeakPolarHBondContact OG-CE2 3.24Å
66D73.9Confident84.3Confident48 Ų4839.1 Ų39.126%0.25721%0.213SC..SBendtrans-73-4.8170.5-65.2-92.1000114.9R348 L352D66-R348 VanDerWaalsContact CG-NE 3.33Å; D66-R348 WeakPolarHBondContact OD1-CG 3.26Å; D66-R348 IonicContact OD1-CZ 3.06Å; D66-R348 IonicContact OD1-NE 2.64Å; D66-R348 PolarHBondContact OD1-NE 3.25Å; D66-R348 IonicContact OD1-NH2 2.6Å; D66-R348 PolarHBondContact OD1-NH2 3.03Å; D66-R348 IonicContact OD2-CZ 2.93Å; D66-R348 IonicContact OD2-NE 2.81Å; D66-R348 PolarHBondContact OD2-NE 3.41Å; D66-R348 IonicContact OD2-NH2 3.61Å; D66-R348 PolarHBondContact OD2-NH2 3.15Å; D66-L352 VanDerWaalsContact CA-CD2 3.5Å; D66-L352 HydrophobicContact CB-CD1 4.45Å; D66-L352 HydrophobicContact CB-CD2 4.06Å; D66-L352 WeakPolarHBondContact OD1-CD1 3.48Å; D66-L352 VanDerWaalsContact OD1-CD2 3.27Å; D66-L352 WeakPolarHBondContact OD1-CD2 3.11Å; D66-L352 WeakPolarHBondContact OD2-CD1 3.45Å
67S79.2Confident84.4Confident41 Ų4142 Ų4229%0.28722%0.224SC..  trans-78.7129.2-177.7-170.90000111.2S65 D69S65-S67 PolarHBondContact O-N 3.33Å; S65-S67 PolarHBondContact OG-N 3.11Å; S67-D69 PolarHBondContact O-N 2.97Å; S67-D69 VanDerWaalsContact O-N 3.11Å; S67-D69 WeakPolarHBondContact OG-CB 3.24Å; S67-D69 PolarHBondContact OG-N 3.34Å
68D73.8Confident84.4Confident140 Ų14040.7 Ų40.775%0.74922%0.216SC*.  trans-77.818.2170-58-45.2000112.3T70 R355D68-T70 PolarHBondContact O-N 3.1Å; D68-R355 IonicContact OD1-NH1 3.87Å
69D83.3Confident84.7Confident29 Ų2933 Ų3316%0.15518%0.181CC..  trans-77.5117.2-178.6-175.6-28.2000109S67 F71 V72 T73 Y103 K104S67-D69 PolarHBondContact O-N 2.97Å; S67-D69 VanDerWaalsContact O-N 3.11Å; S67-D69 WeakPolarHBondContact OG-CB 3.24Å; S67-D69 PolarHBondContact OG-N 3.34Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.25Å; D69-F71 WeakPolarHBondContact OD1-CB 3.42Å; D69-F71 PolarHBondContact OD1-N 2.6Å; D69-V72 HydrophobicContact CB-CB 4.01Å; D69-V72 HydrophobicContact CB-CG2 3.77Å; D69-V72 PolarHBondContact O-N 2.92Å; D69-V72 PolarHBondContact OD1-N 3.33Å; D69-T73 WeakPolarHBondContact O-CB 3.39Å; D69-T73 PolarHBondContact O-N 2.88Å; D69-T73 PolarHBondContact O-OG1 2.77Å; D69-Y103 PolarHBondContact OD1-OH 2.7Å; D69-Y103 VanDerWaalsContact OD2-CE1 3.31Å; D69-Y103 WeakPolarHBondContact OD2-CE1 3.49Å; D69-Y103 PolarHBondContact OD2-OH 3.22Å; D69-K104 IonicContact OD2-NZ 2.96Å; D69-K104 PolarHBondContact OD2-NZ 2.76Å
70T80.5Confident84.7Confident94 Ų9433 Ų3358%0.57718%0.176SC*.Hα-helixtrans-63.6-31.4-176.752.90000112.2D68 T73 Q74D68-T70 PolarHBondContact O-N 3.1Å; T70-T73 WeakPolarHBondContact O-CB 3.4Å; T70-T73 PolarHBondContact O-N 2.87Å; T70-Q74 WeakPolarHBondContact O-CG 3.5Å; T70-Q74 PolarHBondContact O-N 3.11Å
71F87.2Confident84.6Confident68 Ų6837.2 Ų37.230%0.29820%0.202SC..Hα-helixtrans-73-42.4176.8-80-83.5000111.7D69 T73 Q74 I75 Y103 V126D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.25Å; D69-F71 WeakPolarHBondContact OD1-CB 3.42Å; D69-F71 PolarHBondContact OD1-N 2.6Å; F71-T73 PolarHBondContact O-N 2.81Å; F71-Q74 WeakPolarHBondContact O-CB 3.18Å; F71-Q74 PolarHBondContact O-N 2.84Å; F71-Q74 VanDerWaalsContact O-N 3.11Å; F71-I75 WeakPolarHBondContact O-CG1 3.42Å; F71-I75 PolarHBondContact O-N 2.83Å; F71-Y103 HydrophobicContact CB-CD1 4.42Å; F71-Y103 HydrophobicContact CB-CD2 3.79Å; F71-Y103 HydrophobicContact CB-CE1 4.09Å; F71-Y103 HydrophobicContact CB-CE2 3.44Å; F71-Y103 VanDerWaalsContact CB-CE2 3.44Å; F71-Y103 HydrophobicContact CB-CG 4.3Å; F71-Y103 HydrophobicContact CD1-CD2 4.16Å; F71-Y103 HydrophobicContact CD1-CE2 4.11Å; F71-Y103 AromaticContact CD2-CE2 3.67Å; F71-Y103 HydrophobicContact CD2-CE2 3.67Å; F71-Y103 HydrophobicContact CE2-CE2 4.44Å; F71-Y103 AromaticContact CG-CD2 3.91Å; F71-Y103 HydrophobicContact CG-CD2 3.91Å; F71-Y103 AromaticContact CG-CE2 3.46Å; F71-Y103 HydrophobicContact CG-CE2 3.46Å; F71-Y103 VanDerWaalsContact CG-CE2 3.46Å; F71-V126 HydrophobicContact CD1-CG1 4.28Å; F71-V126 HydrophobicContact CE1-CG1 4.29Å
72V88.2Confident84.7Confident1 Ų138 Ų381%0.00621%0.206CC..Hα-helixtrans-57.8-42.6174.1173.80000110L46 D69 Q74 I75 F76 L100 Y103L46-V72 HydrophobicContact CD1-CG1 4.38Å; L46-V72 HydrophobicContact CD2-CG1 3.82Å; L46-V72 HydrophobicContact CD2-CG2 4.02Å; D69-V72 HydrophobicContact CB-CB 4.01Å; D69-V72 HydrophobicContact CB-CG2 3.77Å; D69-V72 PolarHBondContact O-N 2.92Å; D69-V72 PolarHBondContact OD1-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.01Å; V72-I75 WeakPolarHBondContact O-CB 3.23Å; V72-I75 PolarHBondContact O-N 2.74Å; V72-F76 HydrophobicContact CG1-CD2 4.32Å; V72-F76 HydrophobicContact CG1-CE1 4.22Å; V72-F76 HydrophobicContact CG1-CE2 3.47Å; V72-F76 VanDerWaalsContact CG1-CE2 3.47Å; V72-F76 HydrophobicContact CG1-CZ 3.4Å; V72-F76 VanDerWaalsContact CG1-CZ 3.4Å; V72-F76 WeakPolarHBondContact O-CD2 3.42Å; V72-F76 WeakPolarHBondContact O-CG 3.44Å; V72-F76 PolarHBondContact O-N 3.43Å; V72-F76 VanDerWaalsContact O-N 3.14Å; V72-L100 HydrophobicContact CG2-CD2 4.33Å; V72-Y103 HydrophobicContact CG2-CE1 4.23Å
73T83Confident85Confident34 Ų3443.8 Ų43.821%0.20923%0.233CC..Hα-helixtrans-63-39.6176.1-59.50000112.5D69 T70 F71 F76 R77 Q359D69-T73 WeakPolarHBondContact O-CB 3.39Å; D69-T73 PolarHBondContact O-N 2.88Å; D69-T73 PolarHBondContact O-OG1 2.77Å; T70-T73 WeakPolarHBondContact O-CB 3.4Å; T70-T73 PolarHBondContact O-N 2.87Å; F71-T73 PolarHBondContact O-N 2.81Å; T73-F76 PolarHBondContact O-N 3.49Å; T73-R77 PolarHBondContact O-N 3.4Å; T73-R77 VanDerWaalsContact O-N 3.16Å; T73-Q359 VanDerWaalsContact CG2-CD 3.42Å
74Q84.1Confident84.9Confident31 Ų3148.1 Ų48.115%0.14526%0.261CS..Hα-helixtrans-66.2-37.4173.1-76.9173.8-24.400112.7T70 F71 V72 F76 R77 G78 V126T70-Q74 WeakPolarHBondContact O-CG 3.5Å; T70-Q74 PolarHBondContact O-N 3.11Å; F71-Q74 WeakPolarHBondContact O-CB 3.18Å; F71-Q74 PolarHBondContact O-N 2.84Å; F71-Q74 VanDerWaalsContact O-N 3.11Å; V72-Q74 PolarHBondContact O-N 3.01Å; Q74-F76 VanDerWaalsContact C-N 3.32Å; Q74-F76 PolarHBondContact O-N 3.26Å; Q74-R77 WeakPolarHBondContact O-CB 3.38Å; Q74-R77 PolarHBondContact O-N 3.05Å; Q74-G78 PolarHBondContact O-N 2.84Å; Q74-V126 HydrophobicContact CB-CG1 4.42Å
75I91.8Very high85.1Confident11 Ų1150.9 Ų50.96%0.05628%0.282CS..Hα-helixtrans-60.8-44.4175.5-68.1167.2000110.1F71 V72 R77 G78 L79 L96 E99 L100F71-I75 WeakPolarHBondContact O-CG1 3.42Å; F71-I75 PolarHBondContact O-N 2.83Å; V72-I75 WeakPolarHBondContact O-CB 3.23Å; V72-I75 PolarHBondContact O-N 2.74Å; I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 2.89Å; I75-G78 PolarHBondContact O-N 2.87Å; I75-L79 HydrophobicContact CG2-CD1 4.28Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.01Å; I75-L96 HydrophobicContact CG2-CD1 4.05Å; I75-E99 HydrophobicContact CD1-CB 3.98Å; I75-E99 HydrophobicContact CG1-CB 4.01Å; I75-E99 HydrophobicContact CG2-CB 3.83Å; I75-E99 HydrophobicContact CG2-CG 4.48Å; I75-L100 HydrophobicContact CD1-CD2 3.92Å; I75-L100 HydrophobicContact CD1-CG 4.41Å
76F89.5Confident85.4Confident13 Ų1351 Ų516%0.05728%0.281CS..Hα-helixtrans-63.3-39.5177.3-59-29.4000112.8I48 W63 F64 S65 V72 T73 Q74 L79 L96I48-F76 HydrophobicContact CG1-CZ 4.27Å; I48-F76 HydrophobicContact CG2-CE1 3.8Å; I48-F76 HydrophobicContact CG2-CZ 3.84Å; W63-F76 HydrophobicContact CB-CB 4.14Å; W63-F76 HydrophobicContact CB-CD1 3.58Å; W63-F76 HydrophobicContact CB-CE1 4.18Å; W63-F76 HydrophobicContact CB-CG 3.93Å; F64-F76 VanDerWaalsContact C-CE2 3.48Å; S65-F76 WeakPolarHBondContact OG-CE2 3.24Å; V72-F76 HydrophobicContact CG1-CD2 4.32Å; V72-F76 HydrophobicContact CG1-CE1 4.22Å; V72-F76 HydrophobicContact CG1-CE2 3.47Å; V72-F76 VanDerWaalsContact CG1-CE2 3.47Å; V72-F76 HydrophobicContact CG1-CZ 3.4Å; V72-F76 VanDerWaalsContact CG1-CZ 3.4Å; V72-F76 WeakPolarHBondContact O-CD2 3.42Å; V72-F76 WeakPolarHBondContact O-CG 3.44Å; V72-F76 PolarHBondContact O-N 3.43Å; V72-F76 VanDerWaalsContact O-N 3.14Å; T73-F76 PolarHBondContact O-N 3.49Å; Q74-F76 VanDerWaalsContact C-N 3.32Å; Q74-F76 PolarHBondContact O-N 3.26Å; F76-L79 HydrophobicContact CD1-CD1 4.29Å; F76-L79 WeakPolarHBondContact O-CB 3.47Å; F76-L79 PolarHBondContact O-N 2.85Å; F76-L96 HydrophobicContact CD1-CD1 4.13Å; F76-L96 HydrophobicContact CE1-CD1 3.71Å
77R82.9Confident86.3Confident80 Ų8050.7 Ų50.730%0.30228%0.277SS..Hα-helixtrans-60.2-48172.4-177.5-173.9-74139-2.7111.2T73 Q74 I75 L79 Q80 T81 E363T73-R77 PolarHBondContact O-N 3.4Å; T73-R77 VanDerWaalsContact O-N 3.16Å; Q74-R77 WeakPolarHBondContact O-CB 3.38Å; Q74-R77 PolarHBondContact O-N 3.05Å; I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 2.89Å; R77-L79 VanDerWaalsContact C-N 3.25Å; R77-L79 PolarHBondContact O-N 2.95Å; R77-Q80 WeakPolarHBondContact O-CB 3.49Å; R77-Q80 PolarHBondContact O-N 3.22Å; R77-T81 PolarHBondContact O-N 3.28Å; R77-E363 VanDerWaalsContact CD-OE2 3.27Å; R77-E363 WeakPolarHBondContact CD-OE2 3.41Å; R77-E363 IonicContact CZ-OE1 2.89Å; R77-E363 IonicContact CZ-OE2 3.98Å; R77-E363 IonicContact NE-OE1 3.19Å; R77-E363 PolarHBondContact NE-OE1 3.37Å; R77-E363 IonicContact NE-OE2 2.69Å; R77-E363 PolarHBondContact NE-OE2 3.12Å; R77-E363 IonicContact NH1-OE1 3.68Å; R77-E363 IonicContact NH2-OE1 2.63Å; R77-E363 PolarHBondContact NH2-OE1 2.8Å
78G87Confident86.9Confident9 Ų950 Ų509%0.09327%0.271CS..Hα-helixtrans-63.8-29.3179.700000113.4Q74 I75 Q80 T81 V82Q74-G78 PolarHBondContact O-N 2.84Å; I75-G78 PolarHBondContact O-N 2.87Å; G78-Q80 PolarHBondContact O-N 3.36Å; G78-T81 PolarHBondContact O-N 3.05Å; G78-T81 PolarHBondContact O-OG1 2.96Å; G78-V82 VanDerWaalsContact O-CG1 3.24Å; G78-V82 WeakPolarHBondContact O-CG1 3.48Å
79L90.6Very high87.8Confident0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-65.1-20.9173.4-77.4167000113.7S60 W63 I75 F76 R77 V82 Q92 I95 L96S60-L79 PolarHBondContact OG-O 3.39Å; W63-L79 HydrophobicContact CB-CD1 4.41Å; W63-L79 HydrophobicContact CD2-CD1 4.49Å; W63-L79 HydrophobicContact CG-CD1 3.96Å; I75-L79 HydrophobicContact CG2-CD1 4.28Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.01Å; F76-L79 HydrophobicContact CD1-CD1 4.29Å; F76-L79 WeakPolarHBondContact O-CB 3.47Å; F76-L79 PolarHBondContact O-N 2.85Å; R77-L79 VanDerWaalsContact C-N 3.25Å; R77-L79 PolarHBondContact O-N 2.95Å; L79-V82 WeakPolarHBondContact O-CG2 3.36Å; L79-Q92 PolarHBondContact O-NE2 3.33Å; L79-Q92 VanDerWaalsContact O-NE2 3.11Å; L79-Q92 PolarHBondContact O-OE1 3.35Å; L79-I95 HydrophobicContact CD2-CB 3.62Å; L79-I95 HydrophobicContact CD2-CD1 4.45Å; L79-I95 HydrophobicContact CD2-CG2 3.48Å; L79-I95 VanDerWaalsContact CD2-CG2 3.48Å; L79-I95 HydrophobicContact CG-CG2 4.46Å; L79-L96 HydrophobicContact CD1-CB 3.87Å; L79-L96 HydrophobicContact CD1-CD1 3.74Å; L79-L96 HydrophobicContact CD1-CG 4.32Å; L79-L96 HydrophobicContact CD2-CB 4.45Å
80Q84.5Confident88.2Confident39 Ų3943 Ų4318%0.18223%0.233CC..Hα-helixtrans-88.9-23.5177.9-63.3-170-27.200113.8R77 G78 V82 I360R77-Q80 WeakPolarHBondContact O-CB 3.49Å; R77-Q80 PolarHBondContact O-N 3.22Å; G78-Q80 PolarHBondContact O-N 3.36Å; Q80-V82 VanDerWaalsContact C-N 3.34Å; Q80-I360 VanDerWaalsContact OE1-CG1 3.22Å
81T85Confident88.8Confident103 Ų10340.5 Ų40.563%0.63221%0.214SC*.SBendtrans-93.65.7-179.159.30000112.9R77 G78R77-T81 PolarHBondContact O-N 3.28Å; G78-T81 PolarHBondContact O-N 3.05Å; G78-T81 PolarHBondContact O-OG1 2.96Å
82V89.7Confident89.2Confident17 Ų1737.3 Ų37.310%0.10320%0.199CC..SBendtrans-66.9159.3176.5-52.90000111.6G78 L79 Q80 N86 Y87 Q92 I95 L124G78-V82 VanDerWaalsContact O-CG1 3.24Å; G78-V82 WeakPolarHBondContact O-CG1 3.48Å; L79-V82 WeakPolarHBondContact O-CG2 3.36Å; Q80-V82 VanDerWaalsContact C-N 3.34Å; V82-N86 HydrophobicContact CB-CB 4.24Å; V82-N86 HydrophobicContact CG2-CB 3.88Å; V82-Y87 HydrophobicContact CG2-CD1 3.84Å; V82-Y87 HydrophobicContact CG2-CE1 3.93Å; V82-Y87 VanDerWaalsContact O-CE1 3.27Å; V82-Y87 WeakPolarHBondContact O-CE1 3.49Å; V82-Q92 VanDerWaalsContact CG2-NE2 3.25Å; V82-I95 HydrophobicContact CG1-CD1 4.13Å; V82-L124 HydrophobicContact CG1-CD2 4.15Å
83E90Very high89.5Confident135 Ų13537.2 Ų37.263%0.63120%0.199SC*.  trans-59.6148.3175.2-66-166161.100112.5S85 N86E83-S85 PolarHBondContact O-N 3.05Å; E83-N86 WeakPolarHBondContact O-CA 3.25Å; E83-N86 WeakPolarHBondContact O-CB 3.44Å; E83-N86 PolarHBondContact O-N 3.43Å
84P88Confident90.1Very high95 Ų9535.8 Ų35.862%0.61719%0.19SC*.G310 helixtrans-55.8-23.7178.8-27.634.8000115.1N86 Y87P84-N86 PolarHBondContact O-N 2.97Å; P84-Y87 HydrophobicContact CB-CD2 4.26Å; P84-Y87 HydrophobicContact CB-CE2 3.95Å; P84-Y87 HydrophobicContact CG-CE2 4.27Å; P84-Y87 PolarHBondContact O-N 3.04Å
85S89.5Confident90.5Very high66 Ų6634.5 Ų34.546%0.46218%0.184SC..G310 helixtrans-61.7-20.7172.657.30000113.1E83 R91E83-S85 PolarHBondContact O-N 3.05Å; S85-R91 WeakPolarHBondContact O-CD 3.42Å
86N92Very high90.7Very high16 Ų1634 Ų349%0.08618%0.181CC..G310 helixtrans-110.814.7-174-59.5-43.6000114V82 E83 P84 T88 R91 Q92 I95V82-N86 HydrophobicContact CB-CB 4.24Å; V82-N86 HydrophobicContact CG2-CB 3.88Å; E83-N86 WeakPolarHBondContact O-CA 3.25Å; E83-N86 WeakPolarHBondContact O-CB 3.44Å; E83-N86 PolarHBondContact O-N 3.43Å; P84-N86 PolarHBondContact O-N 2.97Å; N86-T88 VanDerWaalsContact C-N 3.28Å; N86-T88 PolarHBondContact O-N 3.2Å; N86-R91 HydrophobicContact CB-CB 4.37Å; N86-R91 WeakPolarHBondContact OD1-CD 3.45Å; N86-R91 PolarHBondContact OD1-NH1 3.18Å; N86-Q92 WeakPolarHBondContact O-CG 3.41Å; N86-Q92 PolarHBondContact O-NE2 2.89Å; N86-I95 HydrophobicContact CB-CD1 4.22Å
87Y91.7Very high90.9Very high42 Ų4233.4 Ų33.417%0.16518%0.179CC..  trans-76.4-11.7176.1-68.9-10.1000114.3P57 Q58 P61 V82 P84P57-Y87 WeakPolarHBondContact O-CB 3.38Å; Q58-Y87 WeakPolarHBondContact O-CD2 3.37Å; Q58-Y87 VanDerWaalsContact O-CE2 3.3Å; Q58-Y87 WeakPolarHBondContact O-CE2 3.39Å; P61-Y87 WeakPolarHBondContact CD-O 3.27Å; V82-Y87 HydrophobicContact CG2-CD1 3.84Å; V82-Y87 HydrophobicContact CG2-CE1 3.93Å; V82-Y87 VanDerWaalsContact O-CE1 3.27Å; V82-Y87 WeakPolarHBondContact O-CE1 3.49Å; P84-Y87 HydrophobicContact CB-CD2 4.26Å; P84-Y87 HydrophobicContact CB-CE2 3.95Å; P84-Y87 HydrophobicContact CG-CE2 4.27Å; P84-Y87 PolarHBondContact O-N 3.04Å
88T92.1Very high91.4Very high26 Ų2630 Ų3016%0.1617%0.167CC..SBendtrans-70.6143.5179.263.10000111.1Y56 P57 N86 D90 R91 Q92Y56-T88 WeakPolarHBondContact OH-CA 3.32Å; P57-T88 HydrophobicContact CB-CG2 3.98Å; N86-T88 VanDerWaalsContact C-N 3.28Å; N86-T88 PolarHBondContact O-N 3.2Å; T88-D90 VanDerWaalsContact C-N 3.25Å; T88-D90 WeakPolarHBondContact CB-OD1 3.37Å; T88-D90 PolarHBondContact O-N 3.47Å; T88-D90 PolarHBondContact OG1-OD1 3.26Å; T88-R91 PolarHBondContact O-N 3.42Å; T88-R91 WeakPolarHBondContact OG1-CD 3.48Å; T88-R91 WeakPolarHBondContact OG1-CG 3.36Å; T88-Q92 WeakPolarHBondContact O-CG 3.38Å; T88-Q92 PolarHBondContact O-N 3.22Å
89I92.5Very high91.7Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-62-31.7-169.2-167.8157.6000113.8L7 H10 L14 I35 L52 Y56 V93L7-I89 HydrophobicContact CD1-CG2 4.1Å; H10-I89 HydrophobicContact CB-CG2 3.51Å; L14-I89 HydrophobicContact CD1-CB 4.42Å; L14-I89 HydrophobicContact CD1-CG1 3.92Å; L14-I89 HydrophobicContact CD1-CG2 3.89Å; I35-I89 HydrophobicContact CB-CD1 3.69Å; I35-I89 HydrophobicContact CD1-CD1 3.65Å; I35-I89 HydrophobicContact CD1-CG1 3.96Å; I35-I89 HydrophobicContact CG1-CD1 4.27Å; I35-I89 HydrophobicContact CG2-CD1 3.54Å; I35-I89 HydrophobicContact CG2-CG1 4.31Å; L52-I89 HydrophobicContact CD1-CD1 3.92Å; L52-I89 HydrophobicContact CD2-CD1 3.94Å; L52-I89 HydrophobicContact CG-CD1 4.28Å; Y56-I89 HydrophobicContact CE2-CB 4.5Å; Y56-I89 PolarHBondContact OH-N 3.23Å; Y56-I89 VanDerWaalsContact OH-N 3.15Å; I89-V93 HydrophobicContact CG1-CG2 4.41Å; I89-V93 WeakPolarHBondContact O-CB 3.48Å; I89-V93 VanDerWaalsContact O-CG2 3.23Å; I89-V93 WeakPolarHBondContact O-CG2 3.41Å; I89-V93 PolarHBondContact O-N 3.06Å
90D92.8Very high91.8Very high23 Ų2330 Ų3012%0.12317%0.165CC..Hα-helixtrans-61.7-46172.956.6-41000111.7H10 T88 K94 L115 C116H10-D90 HydrophobicContact CB-CB 4.34Å; H10-D90 IonicContact CE1-OD1 3.1Å; H10-D90 PolarHBondContact CE1-OD1 3.5Å; H10-D90 VanDerWaalsContact CE1-OD1 3.24Å; H10-D90 IonicContact CE1-OD2 3.99Å; H10-D90 IonicContact CG-OD1 3.6Å; H10-D90 IonicContact ND1-OD1 3.2Å; H10-D90 PolarHBondContact ND1-OD1 3.23Å; T88-D90 VanDerWaalsContact C-N 3.25Å; T88-D90 WeakPolarHBondContact CB-OD1 3.37Å; T88-D90 PolarHBondContact O-N 3.47Å; T88-D90 PolarHBondContact OG1-OD1 3.26Å; D90-K94 PolarHBondContact O-N 2.8Å; D90-L115 HydrophobicContact CB-CD1 3.78Å; D90-L115 WeakPolarHBondContact O-CD2 3.48Å; D90-C116 PolarHBondContact OD2-SG 2.92Å
91R93.4Very high92.2Very high42 Ų4228.1 Ų28.116%0.15816%0.156CC..Hα-helixtrans-69.8-42.9176.9-68-179.5174.8-103.2-8.8111.9S85 N86 T88 V93 K94 I95 C116 D118 F119S85-R91 WeakPolarHBondContact O-CD 3.42Å; N86-R91 HydrophobicContact CB-CB 4.37Å; N86-R91 WeakPolarHBondContact OD1-CD 3.45Å; N86-R91 PolarHBondContact OD1-NH1 3.18Å; T88-R91 PolarHBondContact O-N 3.42Å; T88-R91 WeakPolarHBondContact OG1-CD 3.48Å; T88-R91 WeakPolarHBondContact OG1-CG 3.36Å; R91-V93 PolarHBondContact O-N 3.06Å; R91-K94 WeakPolarHBondContact O-CB 3.38Å; R91-K94 PolarHBondContact O-N 3Å; R91-K94 VanDerWaalsContact O-N 3.15Å; R91-I95 WeakPolarHBondContact O-CD1 3.49Å; R91-I95 VanDerWaalsContact O-CG1 3.29Å; R91-I95 WeakPolarHBondContact O-CG1 3.43Å; R91-I95 PolarHBondContact O-N 3.33Å; R91-C116 HydrophobicContact CG-CB 4.39Å; R91-D118 IonicContact CZ-OD2 2.91Å; R91-D118 IonicContact NH2-OD1 2.65Å; R91-D118 IonicContact NH2-OD2 3.97Å; R91-D118 PolarHBondContact NH2-OD2 3.44Å; R91-F119 HydrophobicContact CB-CD1 4.44Å; R91-F119 HydrophobicContact CB-CE1 4.35Å; R91-F119 HydrophobicContact CG-CD1 4.23Å
92Q94.4Very high92.5Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-58.2-47.4175.9-73-76.9-4600111.8S60 P61 W63 L79 V82 N86 T88 K94 I95 L96S60-Q92 PolarHBondContact OG-NE2 2.65Å; S60-Q92 VanDerWaalsContact OG-NE2 3.16Å; S60-Q92 PolarHBondContact OG-OE1 3.36Å; P61-Q92 HydrophobicContact CG-CG 3.98Å; W63-Q92 HydrophobicContact CZ2-CB 3.85Å; L79-Q92 PolarHBondContact O-NE2 3.33Å; L79-Q92 VanDerWaalsContact O-NE2 3.11Å; L79-Q92 PolarHBondContact O-OE1 3.35Å; V82-Q92 VanDerWaalsContact CG2-NE2 3.25Å; N86-Q92 WeakPolarHBondContact O-CG 3.41Å; N86-Q92 PolarHBondContact O-NE2 2.89Å; T88-Q92 WeakPolarHBondContact O-CG 3.38Å; T88-Q92 PolarHBondContact O-N 3.22Å; Q92-K94 VanDerWaalsContact C-N 3.33Å; Q92-K94 PolarHBondContact O-N 3.48Å; Q92-I95 PolarHBondContact O-N 3.48Å; Q92-L96 VanDerWaalsContact O-CB 3.28Å; Q92-L96 WeakPolarHBondContact O-CB 3.5Å; Q92-L96 PolarHBondContact O-N 3.46Å
93V94.9Very high92.6Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-63.1-40.3175169.90000111L14 F18 F25 I35 W63 I89 R91 I95 L96 V97 L115L14-V93 HydrophobicContact CD1-CG2 3.98Å; L14-V93 HydrophobicContact CD2-CB 3.87Å; L14-V93 HydrophobicContact CD2-CG1 3.78Å; L14-V93 HydrophobicContact CD2-CG2 4.16Å; F18-V93 HydrophobicContact CD2-CG1 4.48Å; F18-V93 HydrophobicContact CE2-CG1 4.28Å; F25-V93 HydrophobicContact CD1-CG1 4.39Å; F25-V93 HydrophobicContact CE1-CG1 3.61Å; F25-V93 HydrophobicContact CZ-CG1 4.12Å; I35-V93 HydrophobicContact CD1-CG2 4.15Å; W63-V93 HydrophobicContact CH2-CG2 3.78Å; W63-V93 HydrophobicContact CZ2-CG2 4.19Å; I89-V93 HydrophobicContact CG1-CG2 4.41Å; I89-V93 WeakPolarHBondContact O-CB 3.48Å; I89-V93 VanDerWaalsContact O-CG2 3.23Å; I89-V93 WeakPolarHBondContact O-CG2 3.41Å; I89-V93 PolarHBondContact O-N 3.06Å; R91-V93 PolarHBondContact O-N 3.06Å; V93-I95 VanDerWaalsContact C-N 3.33Å; V93-I95 PolarHBondContact O-N 2.8Å; V93-L96 PolarHBondContact O-N 3.13Å; V93-V97 HydrophobicContact CG1-CG2 3.95Å; V93-V97 VanDerWaalsContact O-CG2 3.29Å; V93-V97 WeakPolarHBondContact O-CG2 3.39Å; V93-V97 PolarHBondContact O-N 2.94Å; V93-L115 HydrophobicContact CG1-CD2 4.35Å
94K94.8Very high92.5Very high4 Ų427.9 Ų27.92%0.01714%0.138CC..Hα-helixtrans-57.8-47176.2-168.3175-171.9160.90111.8D90 R91 Q92 T98 L112 L115 C116 F119 N120 P121D90-K94 PolarHBondContact O-N 2.8Å; R91-K94 WeakPolarHBondContact O-CB 3.38Å; R91-K94 PolarHBondContact O-N 3Å; R91-K94 VanDerWaalsContact O-N 3.15Å; Q92-K94 VanDerWaalsContact C-N 3.33Å; Q92-K94 PolarHBondContact O-N 3.48Å; K94-T98 VanDerWaalsContact O-CB 3.26Å; K94-T98 WeakPolarHBondContact O-CB 3.44Å; K94-T98 PolarHBondContact O-N 3.35Å; K94-T98 VanDerWaalsContact O-N 3.14Å; K94-T98 PolarHBondContact O-OG1 3.46Å; K94-L112 HydrophobicContact CB-CD2 4.45Å; K94-L112 WeakPolarHBondContact CE-O 3.24Å; K94-L112 HydrophobicContact CG-CD2 4.05Å; K94-L112 PolarHBondContact NZ-O 3.08Å; K94-L112 VanDerWaalsContact NZ-O 3.13Å; K94-L115 HydrophobicContact CB-CD2 3.74Å; K94-L115 HydrophobicContact CB-CG 4.22Å; K94-L115 VanDerWaalsContact CD-O 3.27Å; K94-L115 WeakPolarHBondContact CD-O 3.48Å; K94-L115 WeakPolarHBondContact CE-O 3.49Å; K94-L115 HydrophobicContact CG-CD2 4.34Å; K94-L115 PolarHBondContact NZ-O 3.42Å; K94-C116 HydrophobicContact CD-CB 4.25Å; K94-C116 PolarHBondContact NZ-O 2.88Å; K94-F119 HydrophobicContact CD-CD1 4.08Å; K94-F119 WeakPolarHBondContact CE-O 3.49Å; K94-F119 PolarHBondContact NZ-O 3.06Å; K94-N120 PolarHBondContact NZ-OD1 3.44Å; K94-P121 HydrophobicContact CD-CG 4.43Å; K94-P121 HydrophobicContact CG-CG 4Å
95I94.3Very high92.6Very high4 Ų430.6 Ų30.62%0.02115%0.148CC..Hα-helixtrans-64.3-51.4177.9-60.8157.1000109.6L79 V82 N86 R91 Q92 V93 V97 T98 E99 F119 P121 L124L79-I95 HydrophobicContact CD2-CB 3.62Å; L79-I95 HydrophobicContact CD2-CD1 4.45Å; L79-I95 HydrophobicContact CD2-CG2 3.48Å; L79-I95 VanDerWaalsContact CD2-CG2 3.48Å; L79-I95 HydrophobicContact CG-CG2 4.46Å; V82-I95 HydrophobicContact CG1-CD1 4.13Å; N86-I95 HydrophobicContact CB-CD1 4.22Å; R91-I95 WeakPolarHBondContact O-CD1 3.49Å; R91-I95 VanDerWaalsContact O-CG1 3.29Å; R91-I95 WeakPolarHBondContact O-CG1 3.43Å; R91-I95 PolarHBondContact O-N 3.33Å; Q92-I95 PolarHBondContact O-N 3.48Å; V93-I95 VanDerWaalsContact C-N 3.33Å; V93-I95 PolarHBondContact O-N 2.8Å; I95-V97 PolarHBondContact O-N 3.38Å; I95-T98 PolarHBondContact O-N 3.06Å; I95-E99 HydrophobicContact CG2-CG 4.23Å; I95-E99 WeakPolarHBondContact O-CG 3.33Å; I95-E99 PolarHBondContact O-N 2.96Å; I95-F119 HydrophobicContact CD1-CE1 3.97Å; I95-F119 HydrophobicContact CD1-CZ 3.88Å; I95-F119 HydrophobicContact CG1-CE1 3.74Å; I95-F119 HydrophobicContact CG1-CZ 3.83Å; I95-P121 HydrophobicContact CB-CB 4.43Å; I95-P121 HydrophobicContact CB-CG 4.4Å; I95-P121 HydrophobicContact CG1-CB 3.96Å; I95-P121 HydrophobicContact CG1-CG 3.88Å; I95-L124 HydrophobicContact CG2-CD1 4.05Å; I95-L124 HydrophobicContact CG2-CD2 4.25Å; I95-L124 HydrophobicContact CG2-CG 4.21Å
96L94.8Very high92.6Very high0 Ų028.8 Ų28.80%013%0.133CC..Hα-helixtrans-53.5-52.9-178.817563000112.3F25 I48 W63 I75 F76 L79 Q92 V93 T98 E99 L100F25-L96 HydrophobicContact CE2-CD2 4.39Å; F25-L96 HydrophobicContact CZ-CD2 4.37Å; I48-L96 HydrophobicContact CD1-CD1 4.34Å; I48-L96 HydrophobicContact CD1-CD2 4.24Å; I48-L96 HydrophobicContact CG2-CD2 4.15Å; W63-L96 HydrophobicContact CD2-CD2 4.27Å; W63-L96 HydrophobicContact CE3-CD2 3.83Å; W63-L96 HydrophobicContact CH2-CD2 4.04Å; W63-L96 HydrophobicContact CZ2-CD2 4.47Å; W63-L96 HydrophobicContact CZ3-CD2 3.7Å; I75-L96 HydrophobicContact CG2-CD1 4.05Å; F76-L96 HydrophobicContact CD1-CD1 4.13Å; F76-L96 HydrophobicContact CE1-CD1 3.71Å; L79-L96 HydrophobicContact CD1-CB 3.87Å; L79-L96 HydrophobicContact CD1-CD1 3.74Å; L79-L96 HydrophobicContact CD1-CG 4.32Å; L79-L96 HydrophobicContact CD2-CB 4.45Å; Q92-L96 VanDerWaalsContact O-CB 3.28Å; Q92-L96 WeakPolarHBondContact O-CB 3.5Å; Q92-L96 PolarHBondContact O-N 3.46Å; V93-L96 PolarHBondContact O-N 3.13Å; L96-T98 VanDerWaalsContact C-N 3.34Å; L96-T98 PolarHBondContact O-N 3.35Å; L96-E99 PolarHBondContact O-N 2.98Å; L96-L100 HydrophobicContact CD1-CD1 3.73Å; L96-L100 HydrophobicContact CD1-CG 4.13Å; L96-L100 HydrophobicContact CG-CD1 3.96Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.31Å; L96-L100 PolarHBondContact O-N 3.26Å
97V94.1Very high92.5Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-68.2-37.3-177.2-177.20000110.7F25 V93 I95 C101 P109 L112F25-V97 HydrophobicContact CB-CG1 4.24Å; F25-V97 HydrophobicContact CB-CG2 4.18Å; F25-V97 HydrophobicContact CD1-CG2 3.6Å; F25-V97 HydrophobicContact CD2-CG2 3.67Å; F25-V97 HydrophobicContact CE1-CG2 3.75Å; F25-V97 HydrophobicContact CE2-CG2 3.8Å; F25-V97 HydrophobicContact CG-CG1 4.46Å; F25-V97 HydrophobicContact CG-CG2 3.54Å; F25-V97 HydrophobicContact CZ-CG2 3.83Å; V93-V97 HydrophobicContact CG1-CG2 3.95Å; V93-V97 VanDerWaalsContact O-CG2 3.29Å; V93-V97 WeakPolarHBondContact O-CG2 3.39Å; V93-V97 PolarHBondContact O-N 2.94Å; I95-V97 PolarHBondContact O-N 3.38Å; V97-C101 WeakPolarHBondContact O-CB 3.36Å; V97-C101 PolarHBondContact O-N 2.76Å; V97-C101 PolarHBondContact O-SG 2.86Å; V97-P109 HydrophobicContact CG1-CG 4.19Å; V97-L112 HydrophobicContact CB-CD1 4.16Å; V97-L112 HydrophobicContact CB-CD2 4.05Å; V97-L112 HydrophobicContact CG1-CD1 3.82Å; V97-L112 HydrophobicContact CG1-CD2 4.31Å; V97-L112 HydrophobicContact CG1-CG 4.36Å
98T94Very high92.4Very high10 Ų1034.7 Ų34.76%0.06117%0.172CC..Hα-helixtrans-62.9-45.6176.8-58.60000111.2K94 I95 L96 C101 R102 P121K94-T98 VanDerWaalsContact O-CB 3.26Å; K94-T98 WeakPolarHBondContact O-CB 3.44Å; K94-T98 PolarHBondContact O-N 3.35Å; K94-T98 VanDerWaalsContact O-N 3.14Å; K94-T98 PolarHBondContact O-OG1 3.46Å; I95-T98 PolarHBondContact O-N 3.06Å; L96-T98 VanDerWaalsContact C-N 3.34Å; L96-T98 PolarHBondContact O-N 3.35Å; T98-C101 PolarHBondContact O-N 2.79Å; T98-R102 WeakPolarHBondContact O-CB 3.5Å; T98-R102 PolarHBondContact O-N 2.91Å; T98-P121 HydrophobicContact CG2-CB 4.45Å; T98-P121 HydrophobicContact CG2-CG 4.45Å
99E93.3Very high92.4Very high7 Ų733.9 Ų33.93%0.03317%0.167CC..Hα-helixtrans-68.8-40.2179.1-67.9-56.614700112.5I75 I95 L96 C101 R102 Y103 P123 L124I75-E99 HydrophobicContact CD1-CB 3.98Å; I75-E99 HydrophobicContact CG1-CB 4.01Å; I75-E99 HydrophobicContact CG2-CB 3.83Å; I75-E99 HydrophobicContact CG2-CG 4.48Å; I95-E99 HydrophobicContact CG2-CG 4.23Å; I95-E99 WeakPolarHBondContact O-CG 3.33Å; I95-E99 PolarHBondContact O-N 2.96Å; L96-E99 PolarHBondContact O-N 2.98Å; E99-C101 PolarHBondContact O-N 2.84Å; E99-R102 PolarHBondContact O-N 2.93Å; E99-R102 IonicContact OE1-CZ 2.71Å; E99-R102 IonicContact OE1-NH1 3.24Å; E99-R102 PolarHBondContact OE1-NH1 3.02Å; E99-R102 IonicContact OE2-NH1 3.97Å; E99-R102 PolarHBondContact OE2-NH1 3.29Å; E99-Y103 VanDerWaalsContact O-CB 3.29Å; E99-Y103 WeakPolarHBondContact O-CB 3.35Å; E99-Y103 PolarHBondContact O-N 3.47Å; E99-P123 WeakPolarHBondContact OE1-CA 3.32Å; E99-L124 HydrophobicContact CG-CD1 3.74Å; E99-L124 HydrophobicContact CG-CG 4Å; E99-L124 PolarHBondContact OE1-N 2.95Å
100L92.8Very high92.2Very high1 Ų138 Ų381%0.00519%0.194CC..Hα-helixtrans-64.8-39.7175.4-71.8171.8000112.2F39 L46 I48 V72 I75 L96 K104F39-L100 HydrophobicContact CB-CD1 4.05Å; F39-L100 HydrophobicContact CD1-CB 4.37Å; F39-L100 HydrophobicContact CD1-CD1 4.48Å; F39-L100 HydrophobicContact CD2-CB 4.02Å; F39-L100 HydrophobicContact CD2-CD1 3.98Å; F39-L100 HydrophobicContact CE1-CB 4.15Å; F39-L100 HydrophobicContact CE2-CB 3.78Å; F39-L100 HydrophobicContact CG-CB 4.31Å; F39-L100 HydrophobicContact CG-CD1 3.92Å; F39-L100 HydrophobicContact CZ-CB 3.84Å; L46-L100 HydrophobicContact CD2-CD1 4.45Å; L46-L100 HydrophobicContact CD2-CD2 3.91Å; I48-L100 HydrophobicContact CD1-CD1 3.47Å; I48-L100 VanDerWaalsContact CD1-CD1 3.47Å; V72-L100 HydrophobicContact CG2-CD2 4.33Å; I75-L100 HydrophobicContact CD1-CD2 3.92Å; I75-L100 HydrophobicContact CD1-CG 4.41Å; L96-L100 HydrophobicContact CD1-CD1 3.73Å; L96-L100 HydrophobicContact CD1-CG 4.13Å; L96-L100 HydrophobicContact CG-CD1 3.96Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.31Å; L96-L100 PolarHBondContact O-N 3.26Å; L100-K104 WeakPolarHBondContact O-CB 3.34Å; L100-K104 PolarHBondContact O-N 3.31Å
101C92.5Very high92.1Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-64.8-44.8174.3-70.10000110.9V97 T98 E99 K104 N105 L106 N108V97-C101 WeakPolarHBondContact O-CB 3.36Å; V97-C101 PolarHBondContact O-N 2.76Å; V97-C101 PolarHBondContact O-SG 2.86Å; T98-C101 PolarHBondContact O-N 2.79Å; E99-C101 PolarHBondContact O-N 2.84Å; C101-K104 PolarHBondContact O-N 2.78Å; C101-N105 PolarHBondContact O-N 3.4Å; C101-L106 HydrophobicContact CB-CB 4.49Å; C101-L106 PolarHBondContact O-N 3.39Å; C101-N108 WeakPolarHBondContact CB-OD1 3.12Å
102R91.9Very high91.8Very high104 Ų10437.6 Ų37.639%0.39219%0.193SC..Hα-helixtrans-59.2-49175.3-175.6-178.4-71.7113.2-5.9111.3T98 E99 K104 N105T98-R102 WeakPolarHBondContact O-CB 3.5Å; T98-R102 PolarHBondContact O-N 2.91Å; E99-R102 PolarHBondContact O-N 2.93Å; E99-R102 IonicContact OE1-CZ 2.71Å; E99-R102 IonicContact OE1-NH1 3.24Å; E99-R102 PolarHBondContact OE1-NH1 3.02Å; E99-R102 IonicContact OE2-NH1 3.97Å; E99-R102 PolarHBondContact OE2-NH1 3.29Å; R102-K104 PolarHBondContact O-N 2.78Å; R102-N105 PolarHBondContact O-N 3.19Å; R102-N105 VanDerWaalsContact O-N 3.15Å; R102-N105 PolarHBondContact O-OD1 3.41Å
103Y90.5Very high91.3Very high75 Ų7542.7 Ų42.729%0.29422%0.221SC..Hα-helixtrans-61.2-43.5-179.3169.5-121.8000112.6D69 F71 V72 E99 N105D69-Y103 PolarHBondContact OD1-OH 2.7Å; D69-Y103 VanDerWaalsContact OD2-CE1 3.31Å; D69-Y103 WeakPolarHBondContact OD2-CE1 3.49Å; D69-Y103 PolarHBondContact OD2-OH 3.22Å; F71-Y103 HydrophobicContact CB-CD1 4.42Å; F71-Y103 HydrophobicContact CB-CD2 3.79Å; F71-Y103 HydrophobicContact CB-CE1 4.09Å; F71-Y103 HydrophobicContact CB-CE2 3.44Å; F71-Y103 VanDerWaalsContact CB-CE2 3.44Å; F71-Y103 HydrophobicContact CB-CG 4.3Å; F71-Y103 HydrophobicContact CD1-CD2 4.16Å; F71-Y103 HydrophobicContact CD1-CE2 4.11Å; F71-Y103 AromaticContact CD2-CE2 3.67Å; F71-Y103 HydrophobicContact CD2-CE2 3.67Å; F71-Y103 HydrophobicContact CE2-CE2 4.44Å; F71-Y103 AromaticContact CG-CD2 3.91Å; F71-Y103 HydrophobicContact CG-CD2 3.91Å; F71-Y103 AromaticContact CG-CE2 3.46Å; F71-Y103 HydrophobicContact CG-CE2 3.46Å; F71-Y103 VanDerWaalsContact CG-CE2 3.46Å; V72-Y103 HydrophobicContact CG2-CE1 4.23Å; E99-Y103 VanDerWaalsContact O-CB 3.29Å; E99-Y103 WeakPolarHBondContact O-CB 3.35Å; E99-Y103 PolarHBondContact O-N 3.47Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 3.16Å
104K89.1Confident91Very high70 Ų7048.5 Ų48.530%0.30425%0.252SS..THydrogen-bonded Turntrans-85.16.3178-63.3-59.4-173-165.40113.7F39 D69 L100 C101 R102 L106F39-K104 HydrophobicContact CE1-CG 4.21Å; D69-K104 IonicContact OD2-NZ 2.96Å; D69-K104 PolarHBondContact OD2-NZ 2.76Å; L100-K104 WeakPolarHBondContact O-CB 3.34Å; L100-K104 PolarHBondContact O-N 3.31Å; C101-K104 PolarHBondContact O-N 2.78Å; R102-K104 PolarHBondContact O-N 2.78Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 HydrophobicContact CB-CD1 3.72Å; K104-L106 HydrophobicContact CB-CG 3.94Å; K104-L106 PolarHBondContact O-N 3.26Å
105N89.4Confident90.6Very high153 Ų15348.4 Ų48.482%0.81825%0.251SS*.THydrogen-bonded Turntrans51.442.4-174.8-79.9-30.1000113.5C101 R102 Y103C101-N105 PolarHBondContact O-N 3.4Å; R102-N105 PolarHBondContact O-N 3.19Å; R102-N105 VanDerWaalsContact O-N 3.15Å; R102-N105 PolarHBondContact O-OD1 3.41Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 3.16Å
106L89.6Confident90.2Very high28 Ų2848.8 Ų48.815%0.14725%0.254CS..  trans-104.6148.2179.2-64.8170.6000110.8F39 C41 C101 K104F39-L106 HydrophobicContact CE1-CD1 4.13Å; F39-L106 HydrophobicContact CZ-CD1 3.93Å; C41-L106 HydrophobicContact CB-CD1 4.33Å; C101-L106 HydrophobicContact CB-CB 4.49Å; C101-L106 PolarHBondContact O-N 3.39Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 HydrophobicContact CB-CD1 3.72Å; K104-L106 HydrophobicContact CB-CG 3.94Å; K104-L106 PolarHBondContact O-N 3.26Å
107P90.3Very high89.6Confident100 Ų10053.6 Ų53.665%0.64929%0.286SS*.PPolyproline II helixtrans-66.4137.8173.127.8-33.5000110.7
108N89.6Confident89.2Confident82 Ų8259.3 Ų59.344%0.43932%0.316SS..PPolyproline II helixtrans-62.2134.7175.4-73-11.9000110.6C101 L112C101-N108 WeakPolarHBondContact CB-OD1 3.12Å; N108-L112 HydrophobicContact CB-CD1 4.07Å
109P91.2Very high88.7Confident8 Ų860.4 Ų60.45%0.05232%0.32CS..PPolyproline II helixtrans-55.5135.5171.5-24.531.7000111.5F18 R24 V97 E111 L112F18-P109 HydrophobicContact CE1-CB 4.24Å; R24-P109 HydrophobicContact CB-CG 3.97Å; R24-P109 HydrophobicContact CG-CG 3.86Å; V97-P109 HydrophobicContact CG1-CG 4.19Å; P109-E111 WeakPolarHBondContact CB-OE2 3.31Å; P109-E111 PolarHBondContact O-N 3.3Å; P109-E111 VanDerWaalsContact O-N 3.15Å; P109-L112 WeakPolarHBondContact O-CB 3.44Å; P109-L112 PolarHBondContact O-N 2.7Å
110P89Confident88.3Confident86 Ų8665.7 Ų65.756%0.55835%0.349SS*.G310 helixtrans-59.1-27.1179.824.3-33.9000112.9L112 N113P110-L112 PolarHBondContact O-N 2.94Å; P110-N113 WeakPolarHBondContact O-CB 3.21Å; P110-N113 PolarHBondContact O-N 3.19Å; P110-N113 VanDerWaalsContact O-N 3.1Å
111E89.7Confident87.7Confident54 Ų5466.5 Ų66.525%0.25235%0.354SS..G310 helixtrans-59.4-29.4176.6-60.479.5-172.100112.2M17 F18 H22 P109 N113 N114 L115M17-E111 HydrophobicContact CB-CB 4.3Å; F18-E111 HydrophobicContact CE1-CB 4.02Å; F18-E111 HydrophobicContact CZ-CB 4.13Å; H22-E111 IonicContact NE2-OE1 3.35Å; H22-E111 IonicContact NE2-OE2 3.85Å; H22-E111 PolarHBondContact NE2-OE2 3.23Å; P109-E111 WeakPolarHBondContact CB-OE2 3.31Å; P109-E111 PolarHBondContact O-N 3.3Å; P109-E111 VanDerWaalsContact O-N 3.15Å; E111-N113 PolarHBondContact O-N 3.18Å; E111-N114 PolarHBondContact O-N 2.95Å; E111-L115 PolarHBondContact O-N 3.14Å; E111-L115 VanDerWaalsContact O-N 3.1Å
112L87.1Confident87.1Confident3 Ų374.5 Ų74.52%0.01639%0.391CS..G310 helixtrans-62.2-26.6176.2-75.9175.6000113.3F18 K94 V97 N108 P109 P110 N114 L115F18-L112 HydrophobicContact CZ-CD2 3.92Å; F18-L112 HydrophobicContact CZ-CG 4.2Å; K94-L112 HydrophobicContact CB-CD2 4.45Å; K94-L112 WeakPolarHBondContact CE-O 3.24Å; K94-L112 HydrophobicContact CG-CD2 4.05Å; K94-L112 PolarHBondContact NZ-O 3.08Å; K94-L112 VanDerWaalsContact NZ-O 3.13Å; V97-L112 HydrophobicContact CB-CD1 4.16Å; V97-L112 HydrophobicContact CB-CD2 4.05Å; V97-L112 HydrophobicContact CG1-CD1 3.82Å; V97-L112 HydrophobicContact CG1-CD2 4.31Å; V97-L112 HydrophobicContact CG1-CG 4.36Å; N108-L112 HydrophobicContact CB-CD1 4.07Å; P109-L112 WeakPolarHBondContact O-CB 3.44Å; P109-L112 PolarHBondContact O-N 2.7Å; P110-L112 PolarHBondContact O-N 2.94Å; L112-N114 PolarHBondContact O-N 2.89Å; L112-L115 HydrophobicContact CD2-CD2 4.15Å
113N85.3Confident86.4Confident108 Ų10873.6 Ų73.658%0.57840%0.399SS*.G310 helixtrans-69.7-27.7176.9-64.5-36.2000111.7P110 E111P110-N113 WeakPolarHBondContact O-CB 3.21Å; P110-N113 PolarHBondContact O-N 3.19Å; P110-N113 VanDerWaalsContact O-N 3.1Å; E111-N113 PolarHBondContact O-N 3.18Å
114N87.4Confident85.7Confident121 Ų12171.1 Ų71.165%0.64739%0.39SS*.THydrogen-bonded Turntrans-89.3-26.3179.7-61.5-32.9000112.2M17 E111 L112 C116M17-N114 HydrophobicContact SD-CB 4.17Å; E111-N114 PolarHBondContact O-N 2.95Å; L112-N114 PolarHBondContact O-N 2.89Å; N114-C116 PolarHBondContact O-N 3.49Å
115L87.1Confident84.3Confident2 Ų273.5 Ų73.51%0.0141%0.413CS..SBendtrans-70.7118.6172.1-178.965.8000109.4V13 L14 M17 F18 D90 V93 K94 E111 L112V13-L115 HydrophobicContact CG1-CD1 4.42Å; L14-L115 HydrophobicContact CD2-CD1 3.91Å; L14-L115 HydrophobicContact CD2-CD2 4.12Å; M17-L115 HydrophobicContact CE-CB 3.69Å; M17-L115 HydrophobicContact CE-CD1 3.36Å; M17-L115 HydrophobicContact CE-CG 4.06Å; M17-L115 HydrophobicContact SD-CB 3.95Å; F18-L115 HydrophobicContact CE2-CD2 4.08Å; D90-L115 HydrophobicContact CB-CD1 3.78Å; D90-L115 WeakPolarHBondContact O-CD2 3.48Å; V93-L115 HydrophobicContact CG1-CD2 4.35Å; K94-L115 HydrophobicContact CB-CD2 3.74Å; K94-L115 HydrophobicContact CB-CG 4.22Å; K94-L115 VanDerWaalsContact CD-O 3.27Å; K94-L115 WeakPolarHBondContact CD-O 3.48Å; K94-L115 WeakPolarHBondContact CE-O 3.49Å; K94-L115 HydrophobicContact CG-CD2 4.34Å; K94-L115 PolarHBondContact NZ-O 3.42Å; E111-L115 PolarHBondContact O-N 3.14Å; E111-L115 VanDerWaalsContact O-N 3.1Å; L112-L115 HydrophobicContact CD2-CD2 4.15Å
116C85.3Confident82.7Confident12 Ų1268.8 Ų68.88%0.08139%0.39CS..SBendtrans46.467.2-179.2-44.30000112.6D90 R91 K94 N114 D118 F119D90-C116 PolarHBondContact OD2-SG 2.92Å; R91-C116 HydrophobicContact CG-CB 4.39Å; K94-C116 HydrophobicContact CD-CB 4.25Å; K94-C116 PolarHBondContact NZ-O 2.88Å; N114-C116 PolarHBondContact O-N 3.49Å; C116-D118 PolarHBondContact O-N 3.09Å; C116-D118 VanDerWaalsContact O-N 3.12Å; C116-F119 HydrophobicContact CB-CB 4.25Å; C116-F119 PolarHBondContact O-N 2.88Å
117P82.5Confident80.6Confident102 Ų10273.6 Ų73.666%0.66242%0.416SS*.THydrogen-bonded Turntrans-65.2-18-172.727-34000113.2F119P117-F119 PolarHBondContact O-N 3Å
118D85Confident77.9Confident120 Ų12075 Ų7564%0.64242%0.422SS*.THydrogen-bonded Turntrans-77.6-4.8174.764.9-54.7000113.8R91 C116R91-D118 IonicContact CZ-OD2 2.91Å; R91-D118 IonicContact NH2-OD1 2.65Å; R91-D118 IonicContact NH2-OD2 3.97Å; R91-D118 PolarHBondContact NH2-OD2 3.44Å; C116-D118 PolarHBondContact O-N 3.09Å; C116-D118 VanDerWaalsContact O-N 3.12Å
119F85.1Confident75.2Confident33 Ų3376.7 Ų76.715%0.14543%0.43CS..  trans-137.3126.2-171.8171.2-115.5000111.6R91 K94 I95 C116 P117 P121R91-F119 HydrophobicContact CB-CD1 4.44Å; R91-F119 HydrophobicContact CB-CE1 4.35Å; R91-F119 HydrophobicContact CG-CD1 4.23Å; K94-F119 HydrophobicContact CD-CD1 4.08Å; K94-F119 WeakPolarHBondContact CE-O 3.49Å; K94-F119 PolarHBondContact NZ-O 3.06Å; I95-F119 HydrophobicContact CD1-CE1 3.97Å; I95-F119 HydrophobicContact CD1-CZ 3.88Å; I95-F119 HydrophobicContact CG1-CE1 3.74Å; I95-F119 HydrophobicContact CG1-CZ 3.83Å; C116-F119 HydrophobicContact CB-CB 4.25Å; C116-F119 PolarHBondContact O-N 2.88Å; P117-F119 PolarHBondContact O-N 3Å; F119-P121 HydrophobicContact CE1-CG 4Å; F119-P121 HydrophobicContact CZ-CB 4.4Å; F119-P121 HydrophobicContact CZ-CG 4.27Å
120N83.5Confident72.2Confident118 Ų11880.6 Ų80.663%0.63146%0.458SS*.  trans-118.9125.3169.2-82.5-28.8000109.3K94 E122K94-N120 PolarHBondContact NZ-OD1 3.44Å; N120-E122 PolarHBondContact O-N 3.08Å
121P81.2Confident69.2Low18 Ų1883.3 Ų83.312%0.11747%0.473CS..PPolyproline II helixtrans-60.9122.3179.4-21.531.7000111.4K94 I95 T98 F119K94-P121 HydrophobicContact CD-CG 4.43Å; K94-P121 HydrophobicContact CG-CG 4Å; I95-P121 HydrophobicContact CB-CB 4.43Å; I95-P121 HydrophobicContact CB-CG 4.4Å; I95-P121 HydrophobicContact CG1-CB 3.96Å; I95-P121 HydrophobicContact CG1-CG 3.88Å; T98-P121 HydrophobicContact CG2-CB 4.45Å; T98-P121 HydrophobicContact CG2-CG 4.45Å; F119-P121 HydrophobicContact CE1-CG 4Å; F119-P121 HydrophobicContact CZ-CB 4.4Å; F119-P121 HydrophobicContact CZ-CG 4.27Å
122E78.6Confident66.2Low168 Ų16884.5 Ų84.579%0.78549%0.492SS*.PPolyproline II helixtrans-68.6149.3159.3-75.1-176.8170.900109.2N120 L124N120-E122 PolarHBondContact O-N 3.08Å; E122-L124 PolarHBondContact O-N 3.24Å
123P77.6Confident63.2Low84 Ų8492.8 Ų92.855%0.54553%0.531SS..PPolyproline II helixtrans-54.2127.1176.2-18.629.2000110E99E99-P123 WeakPolarHBondContact OE1-CA 3.32Å
124L75.5Confident60.4Low23 Ų2393.8 Ų93.812%0.1254%0.543CS..PPolyproline II helixtrans-57141.2172.2-66.6173.6000109V82 I95 E99 E122 V126V82-L124 HydrophobicContact CG1-CD2 4.15Å; I95-L124 HydrophobicContact CG2-CD1 4.05Å; I95-L124 HydrophobicContact CG2-CD2 4.25Å; I95-L124 HydrophobicContact CG2-CG 4.21Å; E99-L124 HydrophobicContact CG-CD1 3.74Å; E99-L124 HydrophobicContact CG-CG 4Å; E99-L124 PolarHBondContact OE1-N 2.95Å; E122-L124 PolarHBondContact O-N 3.24Å; L124-V126 VanDerWaalsContact C-N 3.3Å; L124-V126 WeakPolarHBondContact O-CG2 3.48Å; L124-V126 PolarHBondContact O-N 2.91Å
125P60.2Low57.6Low120 Ų12099.3 Ų99.378%0.77956%0.555SS**  trans-65.894.6174.325-30.2000108.5
126V55.2Low54.8Low55 Ų55108.5 Ų108.533%0.33360%0.598SS.*  trans-85.4113.5172.9-158.50000106.6F71 Q74 L124 T128F71-V126 HydrophobicContact CD1-CG1 4.28Å; F71-V126 HydrophobicContact CE1-CG1 4.29Å; Q74-V126 HydrophobicContact CB-CG1 4.42Å; L124-V126 VanDerWaalsContact C-N 3.3Å; L124-V126 WeakPolarHBondContact O-CG2 3.48Å; L124-V126 PolarHBondContact O-N 2.91Å; V126-T128 PolarHBondContact O-N 3.14Å; V126-T128 PolarHBondContact O-OG1 3.28Å
127D45.2Very low52.2Low129 Ų129113.5 Ų113.569%0.6963%0.633SS**  trans-52.6112.1168.6-75.5-38.4000107.5I129D127-I129 PolarHBondContact O-N 2.99Å
128T34.2Very low49.6Very low128 Ų128113.5 Ų113.579%0.78564%0.636SS**  trans-74.186.3-171.6-41.20000107.6V126 S130V126-T128 PolarHBondContact O-N 3.14Å; V126-T128 PolarHBondContact O-OG1 3.28Å; T128-S130 PolarHBondContact O-N 3.06Å
129I34Very low47.2Very low118 Ų118113.8 Ų113.861%0.60565%0.647SS**  trans-69.895.9161.9-57.6176.4000104.6D127 T131D127-I129 PolarHBondContact O-N 2.99Å; I129-T131 PolarHBondContact O-N 2.77Å; I129-T131 VanDerWaalsContact O-N 3.12Å
130S28.5Very low44.7Very low91 Ų91115.5 Ų115.564%0.63667%0.674SS**  trans-45.7121.4167.2-77.30000108.4T128 A132T128-S130 PolarHBondContact O-N 3.06Å; S130-A132 PolarHBondContact O-N 3.38Å
131T25.7Very low42.2Very low142 Ų142118.2 Ų118.287%0.87169%0.688SS**  trans-62.578.5160.244.70000108I129I129-T131 PolarHBondContact O-N 2.77Å; I129-T131 VanDerWaalsContact O-N 3.12Å
132A25Very low39.9Very low79 Ų79120.8 Ų120.865%0.65372%0.718SS**  trans-112.1111.7163.500000106S130S130-A132 PolarHBondContact O-N 3.38Å
133E25.2Very low37.9Very low178 Ų178119.9 Ų119.983%0.83272%0.719SS**  trans-43.8132169.3-63175.8128.600109.8R135E133-R135 PolarHBondContact O-N 3.23Å
134P27.1Very low35.8Very low129 Ų129119.5 Ų119.584%0.83872%0.718SS**  trans-67.9102.9173.327.6-29.9000107.3Q136P134-Q136 PolarHBondContact O-N 2.84Å
135R27.7Very low34.1Very low236 Ų236125.3 Ų125.389%0.89175%0.75SS**  trans-59120170.2-76.5-174.6175-173-1108.1E133 S137E133-R135 PolarHBondContact O-N 3.23Å; R135-S137 PolarHBondContact O-N 3.43Å; R135-S137 VanDerWaalsContact O-N 3.07Å
136Q28.5Very low33Very low195 Ų195124.6 Ų124.691%0.91175%0.753SS**  trans-46.7111.6158.4-73.6172.5-15.400109.1P134P134-Q136 PolarHBondContact O-N 2.84Å
137S31Very low32.3Very low117 Ų117129.9 Ų129.982%0.81878%0.775SS**  trans-112.792.3157.658.20000107.5R135R135-S137 PolarHBondContact O-N 3.43Å; R135-S137 VanDerWaalsContact O-N 3.07Å
138S28.6Very low31.9Very low103 Ų103130.9 Ų130.972%0.7278%0.78SS**  trans-67.3154.8160.550.50000111
139S32.8Very low32.5Very low125 Ų125129.8 Ų129.887%0.87477%0.773SS**  trans85.2123.416066.10000119.5
140G32.7Very low32.5Very low70 Ų70127.2 Ų127.272%0.72278%0.776SS**  trans147.967.6138.400000117.4
141D30.8Very low33Very low174 Ų174132.1 Ų132.193%0.9379%0.786SS**  trans24.3137.4142.5-61.2-31.7000122.7
142G34Very low33.6Very low72 Ų72133.7 Ų133.774%0.74278%0.783SS**  trans15671.9158.200000111.7
143N37.4Very low33.9Very low150 Ų150137.7 Ų137.780%0.80279%0.794SS**  96.2121.993.6-168.355.5000112.3
144S33.5Very low34.6Very low76 Ų76137.5 Ų137.553%0.53179%0.793SS.*  trans29.9120.2156.267.10000119.4
145D37.9Very low34.9Very low145 Ų145138.5 Ų138.578%0.77579%0.791SS**  -168.1103.8106.8-83.5-24.3000109.3E147D145-E147 PolarHBondContact O-N 2.92Å
146A37.4Very low35.4Very low104 Ų104133.5 Ų133.586%0.8679%0.787SS**  trans-78.893.9163.800000106.6D148A146-D148 VanDerWaalsContact C-N 3.3Å; A146-D148 PolarHBondContact O-N 3.08Å; A146-D148 VanDerWaalsContact O-N 3.11Å
147E41.4Very low35.7Very low167 Ų167129.5 Ų129.578%0.7878%0.776SS**  trans-77.592163-71-164.7163.500108.4D145 T149D145-E147 PolarHBondContact O-N 2.92Å; E147-T149 VanDerWaalsContact C-N 3.32Å; E147-T149 PolarHBondContact O-N 3.35Å
148D37Very low36Very low149 Ų149132 Ų13280%0.79778%0.779SS**  trans-48.790.7153.8178.526.2000110A146A146-D148 VanDerWaalsContact C-N 3.3Å; A146-D148 PolarHBondContact O-N 3.08Å; A146-D148 VanDerWaalsContact O-N 3.11Å
149T46Very low36.4Very low106 Ų106133.9 Ų133.965%0.6578%0.781SS**  trans-96.595.9161.7590000107.5E147 F151E147-T149 VanDerWaalsContact C-N 3.32Å; E147-T149 PolarHBondContact O-N 3.35Å; T149-F151 PolarHBondContact O-N 3.26Å
150G33.3Very low36.4Very low64 Ų64133.2 Ų133.266%0.6677%0.768SS**  trans-48.9108.7174.900000111.7E152G150-E152 PolarHBondContact O-N 2.92Å
151F39.3Very low37Very low193 Ų193136.4 Ų136.485%0.84678%0.776SS**  trans-81.8104.9151.3-97.9-96.5000105.5T149 D153T149-F151 PolarHBondContact O-N 3.26Å; F151-D153 PolarHBondContact O-N 2.85Å
152E39.1Very low37.3Very low175 Ų175137 Ų13782%0.81877%0.77SS**  trans-53.5121.1165.2-64.217915500107.2G150 E154G150-E152 PolarHBondContact O-N 2.92Å; E152-E154 PolarHBondContact O-N 3.42Å
153D31.9Very low37.3Very low163 Ų163141.5 Ų141.587%0.87277%0.772SS**  trans-57.887.5165.4-74.3-47000107.4F151 D155F151-D153 PolarHBondContact O-N 2.85Å; D153-D155 VanDerWaalsContact C-N 3.31Å; D153-D155 PolarHBondContact O-N 3.1Å
154E38.2Very low37.2Very low174 Ų174139.6 Ų139.681%0.81377%0.766SS**  trans-64.4103158.4-83.8-168.7157.200105.7E152 V156E152-E154 PolarHBondContact O-N 3.42Å; E154-V156 VanDerWaalsContact C-N 3.32Å; E154-V156 PolarHBondContact O-N 2.88Å
155D35Very low37.2Very low150 Ų150141.3 Ų141.380%0.80278%0.778SS**  trans-35.695.9167.3-87.6-41.8000109.7D153 T157D153-D155 VanDerWaalsContact C-N 3.31Å; D153-D155 PolarHBondContact O-N 3.1Å; D155-T157 PolarHBondContact O-N 3.35Å
156V37.6Very low37.2Very low131 Ų131139.3 Ų139.379%0.79477%0.766SS**  trans-66.899.3164.6-157.10000103.3E154 L158E154-V156 VanDerWaalsContact C-N 3.32Å; E154-V156 PolarHBondContact O-N 2.88Å; V156-L158 VanDerWaalsContact C-N 3.27Å; V156-L158 PolarHBondContact O-N 3.48Å
157T34.1Very low37.2Very low112 Ų112141.2 Ų141.269%0.68777%0.767SS**  trans-53.899.4172.136.20000107.2D155 N159D155-T157 PolarHBondContact O-N 3.35Å; T157-N159 PolarHBondContact O-N 3Å
158L38.1Very low37Very low169 Ų169135.3 Ų135.389%0.88575%0.751SS**  trans-60.390.4162-73172.1000104.9V156 D160V156-L158 VanDerWaalsContact C-N 3.27Å; V156-L158 PolarHBondContact O-N 3.48Å; L158-D160 PolarHBondContact O-N 3.34Å
159N36.2Very low38Very low143 Ų143136.2 Ų136.277%0.76576%0.756SS**  trans-53.9115.2168.8-82.5-7.7000106.4T157T157-N159 PolarHBondContact O-N 3Å
160D32.8Very low38.5Very low111 Ų111138.1 Ų138.159%0.59476%0.762SS**  trans-46.1123.3179.2-169.2-22.3000109.9L158 F162L158-D160 PolarHBondContact O-N 3.34Å; D160-F162 PolarHBondContact O-N 2.75Å; D160-F162 WeakPolarHBondContact OD1-CB 3.33Å; D160-F162 PolarHBondContact OD1-N 2.95Å; D160-F162 VanDerWaalsContact OD1-N 3.08Å
161P45.8Very low40.4Very low136 Ų136141.3 Ų141.388%0.88375%0.754SS**THydrogen-bonded Turntrans-64.83177.3-18.530.8000114.4
162F37.3Very low42.3Very low187 Ų187137.4 Ų137.482%0.8275%0.748SS**THydrogen-bonded Turntrans-112.62.2-175.4-161.4-106.1000116.4D160D160-F162 PolarHBondContact O-N 2.75Å; D160-F162 WeakPolarHBondContact OD1-CB 3.33Å; D160-F162 PolarHBondContact OD1-N 2.95Å; D160-F162 VanDerWaalsContact OD1-N 3.08Å
163E34.1Very low44.3Very low166 Ų166132 Ų13278%0.77672%0.723SS**  trans-122.260.5-174.5-141.9-177.9-146.600115
164V36Very low46.9Very low111 Ų111125.5 Ų125.567%0.67369%0.686SS**  trans-14472.4157.8-169.30000109.9I166V164-I166 HydrophobicContact CG1-CB 3.76Å; V164-I166 HydrophobicContact CG1-CD1 3.13Å; V164-I166 HydrophobicContact CG1-CG1 3.19Å; V164-I166 PolarHBondContact O-N 3.35Å
165S33.5Very low49.3Very low112 Ų112123.2 Ų123.278%0.78368%0.68SS**  trans-71.572.7152.145.10000108.8T167S165-T167 VanDerWaalsContact C-N 3.29Å; S165-T167 PolarHBondContact O-N 2.9Å; S165-T167 VanDerWaalsContact O-N 3.11Å
166I36.5Very low51.9Low102 Ų102117.7 Ų117.752%0.52366%0.659SS.*  trans-79.388.5165.7-78.1168.2000107.1V164 G168V164-I166 HydrophobicContact CG1-CB 3.76Å; V164-I166 HydrophobicContact CG1-CD1 3.13Å; V164-I166 HydrophobicContact CG1-CG1 3.19Å; V164-I166 PolarHBondContact O-N 3.35Å; I166-G168 WeakPolarHBondContact CG2-O 3.47Å; I166-G168 PolarHBondContact O-N 3.23Å
167T36.9Very low54.5Low145 Ų145112.6 Ų112.689%0.8963%0.626SS**  trans-77.583.214751.40000106.8S165S165-T167 VanDerWaalsContact C-N 3.29Å; S165-T167 PolarHBondContact O-N 2.9Å; S165-T167 VanDerWaalsContact O-N 3.11Å
168G38.6Very low57.2Low43 Ų43109.9 Ų109.944%0.44361%0.612SS.*SBendtrans178.8127179.600000111.1I166 D170I166-G168 WeakPolarHBondContact CG2-O 3.47Å; I166-G168 PolarHBondContact O-N 3.23Å; G168-D170 PolarHBondContact O-N 3.38Å
169D56.8Low59.8Low167 Ų167106 Ų10689%0.89360%0.599SS**SBendtrans-68.3-1.8-169.6-139.33.8000114.6R171D169-R171 PolarHBondContact O-N 2.98Å
170D57.8Low62.5Low146 Ų146106.3 Ų106.378%0.78160%0.596SS**  trans-9485.2-172.2-72.9-34.7000112.2G168 P172G168-D170 PolarHBondContact O-N 3.38Å; D170-P172 VanDerWaalsContact O-CD 3.27Å; D170-P172 WeakPolarHBondContact O-CD 3.49Å
171R72.2Confident65.3Low131 Ų131101.7 Ų101.749%0.49457%0.572SS.*  trans-100.992.8165.3-61.8-169.8-132.2-176.515.2109.5D169 E173 Y174 E186D169-R171 PolarHBondContact O-N 2.98Å; R171-E173 PolarHBondContact O-N 3.27Å; R171-Y174 HydrophobicContact CB-CD2 3.81Å; R171-Y174 HydrophobicContact CB-CE2 4.45Å; R171-Y174 PolarHBondContact O-N 3.49Å; R171-E186 IonicContact CZ-OE1 3.31Å; R171-E186 IonicContact CZ-OE2 2.76Å; R171-E186 IonicContact NE-OE1 2.75Å; R171-E186 IonicContact NH1-OE1 3.65Å; R171-E186 PolarHBondContact NH1-OE1 2.95Å; R171-E186 IonicContact NH1-OE2 3.46Å; R171-E186 PolarHBondContact NH1-OE2 3.38Å; R171-E186 VanDerWaalsContact NH1-OE2 3.1Å; R171-E186 IonicContact NH2-OE1 2.82Å; R171-E186 IonicContact NH2-OE2 2.65Å
172P80.2Confident67.5Low112 Ų11295.9 Ų95.973%0.72754%0.535SS*.G310 helixtrans-61.6-22.1-177.325.2-34.4000112.5D170 Y174 D175D170-P172 VanDerWaalsContact O-CD 3.27Å; D170-P172 WeakPolarHBondContact O-CD 3.49Å; P172-Y174 PolarHBondContact O-N 3.12Å; P172-D175 PolarHBondContact O-N 3.37Å
173E81.1Confident70.1Confident61 Ų6193 Ų9329%0.28552%0.524SS..G310 helixtrans-57.9-28.2173.5-168.9166.5-140.100113R171 K189 R212 R216R171-E173 PolarHBondContact O-N 3.27Å; E173-K189 IonicContact OE1-NZ 3.94Å; E173-K189 IonicContact OE2-NZ 3.35Å; E173-K189 PolarHBondContact OE2-NZ 3.47Å; E173-R212 VanDerWaalsContact CD-NH2 3.35Å; E173-R212 VanDerWaalsContact CG-CZ 3.41Å; E173-R212 WeakPolarHBondContact O-CD 3.38Å; E173-R212 IonicContact OE1-CZ 3.66Å; E173-R212 IonicContact OE1-NH1 3.83Å; E173-R212 PolarHBondContact OE1-NH1 3.32Å; E173-R212 IonicContact OE1-NH2 3.95Å; E173-R212 PolarHBondContact OE1-NH2 3.27Å; E173-R216 PolarHBondContact O-NH2 3.2Å
174Y87Confident72.9Confident26 Ų2687.7 Ų87.710%0.10250%0.499CS..G310 helixtrans-111.311.3-178.5-54.2-58.1000113.5R171 P172 G176 I177 A182 L185 E186R171-Y174 HydrophobicContact CB-CD2 3.81Å; R171-Y174 HydrophobicContact CB-CE2 4.45Å; R171-Y174 PolarHBondContact O-N 3.49Å; P172-Y174 PolarHBondContact O-N 3.12Å; Y174-G176 PolarHBondContact O-N 3.49Å; Y174-I177 HydrophobicContact CD1-CD1 4.39Å; Y174-I177 WeakPolarHBondContact O-CB 2.98Å; Y174-I177 PolarHBondContact O-N 3.49Å; Y174-A182 HydrophobicContact CD1-CB 4.29Å; Y174-A182 HydrophobicContact CG-CB 4.18Å; Y174-L185 HydrophobicContact CD1-CD1 4.01Å; Y174-L185 HydrophobicContact CE1-CB 3.86Å; Y174-L185 HydrophobicContact CE1-CD1 3.87Å; Y174-E186 HydrophobicContact CE2-CG 4.07Å; Y174-E186 WeakPolarHBondContact CE2-OE1 3.27Å; Y174-E186 WeakPolarHBondContact OH-CG 3.4Å
175D88.2Confident75.5Confident126 Ų12682.4 Ų82.467%0.67447%0.467SS*.THydrogen-bonded Turntrans-60135176.4-167.518.4000110.4P172 I177 R216P172-D175 PolarHBondContact O-N 3.37Å; D175-I177 VanDerWaalsContact C-N 3.29Å; D175-I177 PolarHBondContact O-N 3.11Å; D175-R216 VanDerWaalsContact O-CD 3.24Å; D175-R216 WeakPolarHBondContact O-CD 3.29Å; D175-R216 PolarHBondContact O-NE 2.96Å
176G88.5Confident78.2Confident35 Ų3580.3 Ų80.336%0.36145%0.445SS..THydrogen-bonded Turntrans70.711.9-174.400000116.2Y174 K221Y174-G176 PolarHBondContact O-N 3.49Å; G176-K221 WeakPolarHBondContact O-CE 3.26Å; G176-K221 PolarHBondContact O-NZ 2.91Å
177I92.3Very high80.7Confident23 Ų2380.5 Ų80.512%0.11844%0.442CS..  trans-107.2144.3176.8-60.4-177.8000110.1Y174 D175 D181 A182 L185 R212 Y215 R216Y174-I177 HydrophobicContact CD1-CD1 4.39Å; Y174-I177 WeakPolarHBondContact O-CB 2.98Å; Y174-I177 PolarHBondContact O-N 3.49Å; D175-I177 VanDerWaalsContact C-N 3.29Å; D175-I177 PolarHBondContact O-N 3.11Å; I177-D181 HydrophobicContact CG2-CB 3.6Å; I177-A182 HydrophobicContact CG2-CB 4.26Å; I177-L185 HydrophobicContact CD1-CD1 3.95Å; I177-R212 HydrophobicContact CD1-CB 4.46Å; I177-R212 HydrophobicContact CD1-CG 3.47Å; I177-R212 VanDerWaalsContact CD1-CG 3.47Å; I177-Y215 HydrophobicContact CG2-CD2 4.46Å; I177-R216 HydrophobicContact CD1-CG 3.92Å; I177-R216 HydrophobicContact CG1-CG 3.47Å; I177-R216 VanDerWaalsContact CG1-CG 3.47Å
178S92.2Very high83.1Confident55 Ų5573.9 Ų73.939%0.38540%0.401SS..  trans-67.8154.2177.387.30000111.7Q180 D181 A182S178-Q180 VanDerWaalsContact C-N 3.27Å; S178-Q180 PolarHBondContact O-N 2.94Å; S178-D181 PolarHBondContact O-N 3.23Å; S178-D181 WeakPolarHBondContact OG-CB 3.49Å; S178-D181 PolarHBondContact OG-N 2.82Å; S178-D181 PolarHBondContact OG-OD2 3.29Å; S178-A182 WeakPolarHBondContact O-CB 3.43Å; S178-A182 PolarHBondContact O-N 3.39Å
179S91.7Very high85.2Confident88 Ų8875.8 Ų75.862%0.61540%0.397SS*.Hα-helixtrans-56.6-40.6178.7-168.40000112.6A182 E183S179-A182 PolarHBondContact O-N 2.98Å; S179-E183 WeakPolarHBondContact O-CG 3.41Å; S179-E183 PolarHBondContact O-N 3.08Å
180Q92.3Very high86.3Confident149 Ų14970 Ų7070%0.69637%0.373SS*.Hα-helixtrans-67.4-42.7-179.4-177.8179.5-10.500111.8S178 E183 Q184S178-Q180 VanDerWaalsContact C-N 3.27Å; S178-Q180 PolarHBondContact O-N 2.94Å; Q180-E183 PolarHBondContact O-N 2.9Å; Q180-Q184 PolarHBondContact O-N 3.48Å; Q180-Q184 VanDerWaalsContact O-N 3.11Å
181D92.8Very high87.1Confident15 Ų1565.1 Ų65.18%0.0835%0.348CS..Hα-helixtrans-69.8-35.4179-65.9-44.2000111.4I177 S178 Q184 L185 Y215 Y220I177-D181 HydrophobicContact CG2-CB 3.6Å; S178-D181 PolarHBondContact O-N 3.23Å; S178-D181 WeakPolarHBondContact OG-CB 3.49Å; S178-D181 PolarHBondContact OG-N 2.82Å; S178-D181 PolarHBondContact OG-OD2 3.29Å; D181-Q184 PolarHBondContact O-N 3.26Å; D181-L185 WeakPolarHBondContact O-CG 3.32Å; D181-L185 PolarHBondContact O-N 3.29Å; D181-Y215 HydrophobicContact CB-CD1 4.17Å; D181-Y215 HydrophobicContact CB-CD2 3.62Å; D181-Y215 HydrophobicContact CB-CE1 4.33Å; D181-Y215 HydrophobicContact CB-CE2 3.8Å; D181-Y215 HydrophobicContact CB-CG 3.8Å; D181-Y215 WeakPolarHBondContact OD1-CE1 3.33Å; D181-Y220 PolarHBondContact OD1-OH 3.37Å; D181-Y220 WeakPolarHBondContact OD2-CE1 3.16Å; D181-Y220 PolarHBondContact OD2-OH 3.05Å
182A92.4Very high86.9Confident13 Ų1360.4 Ų60.411%0.10733%0.332CS..Hα-helixtrans-64.1-44.217400000111.8Y174 I177 S178 S179 Q184 L185 E186Y174-A182 HydrophobicContact CD1-CB 4.29Å; Y174-A182 HydrophobicContact CG-CB 4.18Å; I177-A182 HydrophobicContact CG2-CB 4.26Å; S178-A182 WeakPolarHBondContact O-CB 3.43Å; S178-A182 PolarHBondContact O-N 3.39Å; S179-A182 PolarHBondContact O-N 2.98Å; A182-Q184 VanDerWaalsContact C-N 3.31Å; A182-Q184 PolarHBondContact O-N 2.9Å; A182-L185 PolarHBondContact O-N 3.12Å; A182-E186 PolarHBondContact O-N 3.06Å
183E92.3Very high86.2Confident127 Ų12761.8 Ų61.859%0.59333%0.332SS*.Hα-helixtrans-59.8-40173.6-75.7174.1-160.600112.1S179 Q180 E186 K187S179-E183 WeakPolarHBondContact O-CG 3.41Å; S179-E183 PolarHBondContact O-N 3.08Å; Q180-E183 PolarHBondContact O-N 2.9Å; E183-E186 PolarHBondContact O-N 3.33Å; E183-K187 PolarHBondContact O-N 2.84Å
184Q91.3Very high85.4Confident55 Ų5565.6 Ų65.626%0.25735%0.349SS..Hα-helixtrans-63.8-43.9175.7-171.1176.5-69.400111.6Q180 D181 A182 E186 K187 L188 Y215Q180-Q184 PolarHBondContact O-N 3.48Å; Q180-Q184 VanDerWaalsContact O-N 3.11Å; D181-Q184 PolarHBondContact O-N 3.26Å; A182-Q184 VanDerWaalsContact C-N 3.31Å; A182-Q184 PolarHBondContact O-N 2.9Å; Q184-E186 VanDerWaalsContact C-N 3.33Å; Q184-E186 PolarHBondContact O-N 3.47Å; Q184-K187 PolarHBondContact O-N 3.24Å; Q184-L188 HydrophobicContact CG-CD1 4.11Å; Q184-L188 WeakPolarHBondContact O-CD1 3.3Å; Q184-L188 VanDerWaalsContact O-CG 3.23Å; Q184-L188 WeakPolarHBondContact O-CG 3.36Å; Q184-L188 PolarHBondContact O-N 2.88Å; Q184-Y215 PolarHBondContact NE2-OH 3.46Å
185L90.8Very high83.9Confident0 Ų067.3 Ų67.30%038%0.375CS..Hα-helixtrans-61.2-40.3175.4-73.1172.3000111.8Y174 I177 D181 A182 L188 K189 M208 L211 R212 Y215Y174-L185 HydrophobicContact CD1-CD1 4.01Å; Y174-L185 HydrophobicContact CE1-CB 3.86Å; Y174-L185 HydrophobicContact CE1-CD1 3.87Å; I177-L185 HydrophobicContact CD1-CD1 3.95Å; D181-L185 WeakPolarHBondContact O-CG 3.32Å; D181-L185 PolarHBondContact O-N 3.29Å; A182-L185 PolarHBondContact O-N 3.12Å; L185-L188 PolarHBondContact O-N 3.15Å; L185-K189 WeakPolarHBondContact O-CB 3.5Å; L185-K189 PolarHBondContact O-N 3.07Å; L185-M208 HydrophobicContact CD2-CE 4.27Å; L185-M208 HydrophobicContact CD2-SD 4.29Å; L185-M208 WeakPolarHBondContact O-CE 3.3Å; L185-L211 HydrophobicContact CD2-CB 4.39Å; L185-L211 HydrophobicContact CD2-CD2 3.99Å; L185-L211 HydrophobicContact CD2-CG 4.22Å; L185-R212 HydrophobicContact CD1-CB 4.17Å; L185-R212 HydrophobicContact CD1-CG 4.11Å; L185-Y215 HydrophobicContact CD1-CD2 3.96Å; L185-Y215 HydrophobicContact CD1-CE2 4.44Å; L185-Y215 HydrophobicContact CD2-CD2 4.48Å; L185-Y215 HydrophobicContact CD2-CE2 4.34Å; L185-Y215 HydrophobicContact CG-CD2 4.13Å; L185-Y215 HydrophobicContact CG-CE2 4.1Å
186E90.4Very high82.4Confident68 Ų6866.3 Ų66.332%0.31837%0.369SS..Hα-helixtrans-64.9-43.5176.5-74.2-175.7-157.500112.5R171 Y174 A182 E183 Q184 L188 K189 A190R171-E186 IonicContact CZ-OE1 3.31Å; R171-E186 IonicContact CZ-OE2 2.76Å; R171-E186 IonicContact NE-OE1 2.75Å; R171-E186 IonicContact NH1-OE1 3.65Å; R171-E186 PolarHBondContact NH1-OE1 2.95Å; R171-E186 IonicContact NH1-OE2 3.46Å; R171-E186 PolarHBondContact NH1-OE2 3.38Å; R171-E186 VanDerWaalsContact NH1-OE2 3.1Å; R171-E186 IonicContact NH2-OE1 2.82Å; R171-E186 IonicContact NH2-OE2 2.65Å; Y174-E186 HydrophobicContact CE2-CG 4.07Å; Y174-E186 WeakPolarHBondContact CE2-OE1 3.27Å; Y174-E186 WeakPolarHBondContact OH-CG 3.4Å; A182-E186 PolarHBondContact O-N 3.06Å; E183-E186 PolarHBondContact O-N 3.33Å; Q184-E186 VanDerWaalsContact C-N 3.33Å; Q184-E186 PolarHBondContact O-N 3.47Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.3Å; E186-K189 PolarHBondContact O-N 2.6Å; E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 2.64Å
187K89.4Confident80.9Confident105 Ų10566.4 Ų66.446%0.45736%0.362SS..Hα-helixtrans-57.9-42.5175.1-175.2-170.5170.1-161.90111.4E183 Q184 T191 D232E183-K187 PolarHBondContact O-N 2.84Å; Q184-K187 PolarHBondContact O-N 3.24Å; K187-T191 PolarHBondContact O-N 2.96Å; K187-T191 VanDerWaalsContact O-N 3.13Å; K187-T191 PolarHBondContact O-OG1 3.05Å; K187-D232 IonicContact NZ-OD1 3.16Å; K187-D232 PolarHBondContact NZ-OD1 3Å; K187-D232 IonicContact NZ-OD2 3.42Å; K187-D232 PolarHBondContact NZ-OD2 2.88Å
188L86.3Confident79.2Confident6 Ų674.2 Ų74.23%0.03140%0.395CS..Hα-helixtrans-69.4-43.8179.5-66.1163.1000111.9Q184 L185 E186 A190 T191 Q192 M208 L211 L229 L234Q184-L188 HydrophobicContact CG-CD1 4.11Å; Q184-L188 WeakPolarHBondContact O-CD1 3.3Å; Q184-L188 VanDerWaalsContact O-CG 3.23Å; Q184-L188 WeakPolarHBondContact O-CG 3.36Å; Q184-L188 PolarHBondContact O-N 2.88Å; L185-L188 PolarHBondContact O-N 3.15Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 3.3Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-A190 PolarHBondContact O-N 2.95Å; L188-T191 WeakPolarHBondContact O-CB 3.39Å; L188-T191 PolarHBondContact O-N 3.5Å; L188-T191 VanDerWaalsContact O-N 3.11Å; L188-Q192 PolarHBondContact O-N 2.73Å; L188-M208 HydrophobicContact CB-CE 4.14Å; L188-M208 HydrophobicContact CB-SD 3.72Å; L188-M208 HydrophobicContact CD1-SD 4.27Å; L188-L211 HydrophobicContact CD1-CD2 3.94Å; L188-L229 HydrophobicContact CD1-CD1 3.32Å; L188-L229 HydrophobicContact CD2-CD1 3.61Å; L188-L229 HydrophobicContact CG-CD1 4.07Å; L188-L234 HydrophobicContact CD1-CD2 3.96Å; L188-L234 HydrophobicContact CD2-CD2 4.26Å; L188-L234 HydrophobicContact CD2-CG 4.22Å; L188-L234 HydrophobicContact CG-CD2 4.49Å
189K83.4Confident77.9Confident83 Ų8372.8 Ų72.836%0.36139%0.39SS..Hα-helixtrans-58.6-42.9176.4-162.8174.6-172.71760111.2E173 L185 E186 T191 Q192 I193 M208E173-K189 IonicContact OE1-NZ 3.94Å; E173-K189 IonicContact OE2-NZ 3.35Å; E173-K189 PolarHBondContact OE2-NZ 3.47Å; L185-K189 WeakPolarHBondContact O-CB 3.5Å; L185-K189 PolarHBondContact O-N 3.07Å; E186-K189 PolarHBondContact O-N 2.6Å; K189-T191 PolarHBondContact O-N 2.86Å; K189-Q192 PolarHBondContact O-N 2.91Å; K189-I193 WeakPolarHBondContact O-CG1 3.24Å; K189-I193 PolarHBondContact O-N 3.32Å; K189-I193 VanDerWaalsContact O-N 3.12Å; K189-M208 HydrophobicContact CB-CE 3.89Å
190A79.2Confident77.1Confident47 Ų4770.6 Ų70.639%0.38837%0.374SS..Hα-helixtrans-63-40.6175.300000112.7E186 L188 Q192 I193 Q194E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 2.64Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-A190 PolarHBondContact O-N 2.95Å; A190-Q192 VanDerWaalsContact C-N 3.34Å; A190-Q192 PolarHBondContact O-N 3.48Å; A190-I193 PolarHBondContact O-N 2.97Å; A190-Q194 WeakPolarHBondContact O-CG 3.46Å; A190-Q194 PolarHBondContact O-N 3.47Å
191T75.7Confident76.5Confident42 Ų4269.5 Ų69.526%0.25837%0.372SS..Hα-helixtrans-67-35.2178.9-53.50000112K187 L188 K189 Q194 I196 T197K187-T191 PolarHBondContact O-N 2.96Å; K187-T191 VanDerWaalsContact O-N 3.13Å; K187-T191 PolarHBondContact O-OG1 3.05Å; L188-T191 WeakPolarHBondContact O-CB 3.39Å; L188-T191 PolarHBondContact O-N 3.5Å; L188-T191 VanDerWaalsContact O-N 3.11Å; K189-T191 PolarHBondContact O-N 2.86Å; T191-Q194 PolarHBondContact O-N 2.64Å; T191-I196 HydrophobicContact CG2-CB 3.76Å; T191-I196 HydrophobicContact CG2-CD1 4.39Å; T191-I196 HydrophobicContact CG2-CG2 3.89Å; T191-I196 PolarHBondContact O-N 3.03Å; T191-T197 HydrophobicContact CG2-CG2 4.19Å
192Q68.3Low76Confident33 Ų3375.6 Ų75.615%0.15440%0.4CS..Hα-helixtrans-69.2-43.8176.9-166.9-177.9-5.800111.8L188 K189 A190 Q194 G195 T197 D205L188-Q192 PolarHBondContact O-N 2.73Å; K189-Q192 PolarHBondContact O-N 2.91Å; A190-Q192 VanDerWaalsContact C-N 3.34Å; A190-Q192 PolarHBondContact O-N 3.48Å; Q192-Q194 PolarHBondContact O-N 2.71Å; Q192-G195 PolarHBondContact O-N 3.38Å; Q192-T197 HydrophobicContact CB-CG2 4.23Å; Q192-D205 PolarHBondContact NE2-OD1 3.45Å
193I64.4Low75.9Confident141 Ų14175 Ų7572%0.72340%0.395SS*.Hα-helixtrans-61.6-34.1176.3-66.8166.9000111.4K189 A190 G195K189-I193 WeakPolarHBondContact O-CG1 3.24Å; K189-I193 PolarHBondContact O-N 3.32Å; K189-I193 VanDerWaalsContact O-N 3.12Å; A190-I193 PolarHBondContact O-N 2.97Å; I193-G195 PolarHBondContact O-N 2.92Å
194Q63.6Low75.8Confident140 Ų14069 Ų6965%0.65437%0.367SS*.THydrogen-bonded Turntrans-74.4-0.9176.1-69.5177.84.900113.7A190 T191 Q192 I196A190-Q194 WeakPolarHBondContact O-CG 3.46Å; A190-Q194 PolarHBondContact O-N 3.47Å; T191-Q194 PolarHBondContact O-N 2.64Å; Q192-Q194 PolarHBondContact O-N 2.71Å; Q194-I196 HydrophobicContact CB-CD1 3.8Å; Q194-I196 HydrophobicContact CB-CG1 3.93Å; Q194-I196 PolarHBondContact O-N 3.39Å; Q194-I196 VanDerWaalsContact OE1-CD1 3.28Å
195G56.4Low75.6Confident63 Ų6370.3 Ų70.365%0.64938%0.376SS*.THydrogen-bonded Turntrans67.618.3179.900000113.9Q192 I193Q192-G195 PolarHBondContact O-N 3.38Å; I193-G195 PolarHBondContact O-N 2.92Å
196I56Low75.8Confident105 Ų10572.6 Ų72.654%0.53839%0.385SS..  trans-79.5-26.8-178.2-62.5170.9000110.7T191 Q194 K198T191-I196 HydrophobicContact CG2-CB 3.76Å; T191-I196 HydrophobicContact CG2-CD1 4.39Å; T191-I196 HydrophobicContact CG2-CG2 3.89Å; T191-I196 PolarHBondContact O-N 3.03Å; Q194-I196 HydrophobicContact CB-CD1 3.8Å; Q194-I196 HydrophobicContact CB-CG1 3.93Å; Q194-I196 PolarHBondContact O-N 3.39Å; Q194-I196 VanDerWaalsContact OE1-CD1 3.28Å; I196-K198 PolarHBondContact O-N 3.43Å
197T57.5Low76.1Confident36 Ų3669.4 Ų69.422%0.22137%0.369CS..SBendtrans-70.6115.9-18050.70000111T191 Q192 G199T191-T197 HydrophobicContact CG2-CG2 4.19Å; Q192-T197 HydrophobicContact CB-CG2 4.23Å; T197-G199 PolarHBondContact O-N 2.85Å; T197-G199 VanDerWaalsContact O-N 3.12Å
198K57.7Low76.2Confident187 Ų18764.7 Ų64.781%0.81335%0.349SS*.  trans-71.299.8170.6-66.9-177.5178.2-1790109.2I196 Y235I196-K198 PolarHBondContact O-N 3.43Å; K198-Y235 WeakPolarHBondContact O-CD2 3.49Å; K198-Y235 VanDerWaalsContact O-CE2 3.31Å; K198-Y235 WeakPolarHBondContact O-CE2 3.36Å
199G64.4Low76.6Confident26 Ų2669.5 Ų69.527%0.26837%0.37SS..SBendtrans168.1172.517300000114.2T197 Y235T197-G199 PolarHBondContact O-N 2.85Å; T197-G199 VanDerWaalsContact O-N 3.12Å; G199-Y235 WeakPolarHBondContact CA-OH 3.31Å
200S75.2Confident77.2Confident41 Ų4165.8 Ų65.829%0.28735%0.354SS..  trans-68.1139.4172143.70000110.6Q202 S203 S204 Y235S200-Q202 VanDerWaalsContact C-N 3.33Å; S200-Q202 PolarHBondContact O-N 2.82Å; S200-Q202 PolarHBondContact OG-N 3.26Å; S200-S203 WeakPolarHBondContact O-CB 3.5Å; S200-S203 PolarHBondContact O-N 2.77Å; S200-S203 PolarHBondContact OG-N 3.03Å; S200-S204 PolarHBondContact O-N 2.77Å; S200-S204 PolarHBondContact O-OG 3.17Å; S200-Y235 PolarHBondContact O-OH 3.14Å
201I78.7Confident78.1Confident127 Ų12763.5 Ų63.565%0.65134%0.335SS*.Hα-helixtrans-55.7-48.7177.6-63.9170.2000110.4S203 S204 D205I201-S203 VanDerWaalsContact C-N 3.28Å; I201-S203 PolarHBondContact O-N 2.66Å; I201-S204 PolarHBondContact O-N 2.94Å; I201-D205 WeakPolarHBondContact O-CB 3.38Å; I201-D205 VanDerWaalsContact O-CG 3.23Å; I201-D205 PolarHBondContact O-N 3.24Å
202Q83.3Confident79Confident142 Ų14263.5 Ų63.566%0.66433%0.33SS*.Hα-helixtrans-59.7-39.8-180-65.1177.9-34.800112.3S200 R206S200-Q202 VanDerWaalsContact C-N 3.33Å; S200-Q202 PolarHBondContact O-N 2.82Å; S200-Q202 PolarHBondContact OG-N 3.26Å; Q202-R206 WeakPolarHBondContact O-CB 3.46Å; Q202-R206 PolarHBondContact O-N 3.24Å; Q202-R206 VanDerWaalsContact O-N 3.08Å
203S89.2Confident80.4Confident1 Ų165.8 Ų65.81%0.00734%0.341CS..Hα-helixtrans-69.3-44.6178.9-178.60000111.4S200 I201 R206 L207 Y235 K274 E275 Y277S200-S203 WeakPolarHBondContact O-CB 3.5Å; S200-S203 PolarHBondContact O-N 2.77Å; S200-S203 PolarHBondContact OG-N 3.03Å; I201-S203 VanDerWaalsContact C-N 3.28Å; I201-S203 PolarHBondContact O-N 2.66Å; S203-R206 PolarHBondContact O-N 3.1Å; S203-L207 VanDerWaalsContact O-CG 3.3Å; S203-L207 WeakPolarHBondContact O-CG 3.5Å; S203-L207 PolarHBondContact O-N 3.31Å; S203-Y235 WeakPolarHBondContact CB-OH 3.27Å; S203-Y235 WeakPolarHBondContact OG-CE1 3.48Å; S203-Y235 PolarHBondContact OG-OH 2.95Å; S203-K274 PolarHBondContact OG-O 2.66Å; S203-E275 WeakPolarHBondContact CB-O 3.5Å; S203-Y277 VanDerWaalsContact CA-O 3.3Å; S203-Y277 WeakPolarHBondContact CA-O 3.19Å; S203-Y277 WeakPolarHBondContact CB-O 3.37Å; S203-Y277 PolarHBondContact OG-O 3.42Å
204S90.1Very high82Confident1 Ų159.1 Ų59.11%0.00731%0.307CS..Hα-helixtrans-62.9-42.4176.9-66.60000111.8S200 I201 R206 L207 M208 Y235S200-S204 PolarHBondContact O-N 2.77Å; S200-S204 PolarHBondContact O-OG 3.17Å; I201-S204 PolarHBondContact O-N 2.94Å; S204-R206 PolarHBondContact O-N 2.97Å; S204-L207 PolarHBondContact O-N 2.84Å; S204-M208 WeakPolarHBondContact O-CB 3.43Å; S204-M208 WeakPolarHBondContact O-CG 3.29Å; S204-M208 PolarHBondContact O-N 3.14Å; S204-Y235 PolarHBondContact N-OH 3.47Å; S204-Y235 PolarHBondContact OG-OH 2.85Å
205D88.4Confident83.6Confident83 Ų8352.6 Ų52.644%0.44428%0.276SS..Hα-helixtrans-63.1-42176.6-69.5-15000111.6Q192 I201 M208 K209Q192-D205 PolarHBondContact NE2-OD1 3.45Å; I201-D205 WeakPolarHBondContact O-CB 3.38Å; I201-D205 VanDerWaalsContact O-CG 3.23Å; I201-D205 PolarHBondContact O-N 3.24Å; D205-M208 PolarHBondContact O-N 3.01Å; D205-K209 PolarHBondContact O-N 2.89Å
206R94.3Very high85.5Confident48 Ų4852.6 Ų52.618%0.18126%0.257CS..Hα-helixtrans-62.4-45.2174.5-178.961.8-175-93-4.2111.2Q202 S203 S204 M208 K209 E210 Y277 P278 S314 Y316Q202-R206 WeakPolarHBondContact O-CB 3.46Å; Q202-R206 PolarHBondContact O-N 3.24Å; Q202-R206 VanDerWaalsContact O-N 3.08Å; S203-R206 PolarHBondContact O-N 3.1Å; S204-R206 PolarHBondContact O-N 2.97Å; R206-M208 PolarHBondContact O-N 2.8Å; R206-K209 WeakPolarHBondContact O-CB 3.49Å; R206-K209 PolarHBondContact O-N 3.39Å; R206-E210 IonicContact CZ-OE1 2.67Å; R206-E210 IonicContact NE-OE1 3.68Å; R206-E210 PolarHBondContact NE-OE1 2.75Å; R206-E210 IonicContact NH2-OE1 3.95Å; R206-E210 PolarHBondContact NH2-OE1 2.94Å; R206-E210 WeakPolarHBondContact O-CG 3.4Å; R206-E210 PolarHBondContact O-N 2.78Å; R206-Y277 HydrophobicContact CB-CE1 4.33Å; R206-Y277 HydrophobicContact CG-CD1 4.23Å; R206-Y277 HydrophobicContact CG-CE1 3.61Å; R206-P278 HydrophobicContact CG-CB 4.08Å; R206-P278 HydrophobicContact CG-CG 3.95Å; R206-S314 VanDerWaalsContact CZ-O 3.28Å; R206-S314 PolarHBondContact NH1-O 2.96Å; R206-S314 PolarHBondContact NH2-O 3.15Å; R206-Y316 PolarHBondContact NH2-O 3.31Å
207L96Very high87.4Confident0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-63.4-40179-71.9164.3000112.5S203 S204 K209 E210 L211 Y235 W237 F273 Y277S203-L207 VanDerWaalsContact O-CG 3.3Å; S203-L207 WeakPolarHBondContact O-CG 3.5Å; S203-L207 PolarHBondContact O-N 3.31Å; S204-L207 PolarHBondContact O-N 2.84Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 2.88Å; L207-E210 PolarHBondContact O-N 3.4Å; L207-L211 WeakPolarHBondContact O-CB 3.28Å; L207-L211 PolarHBondContact O-N 3.03Å; L207-Y235 HydrophobicContact CD1-CD1 3.78Å; L207-Y235 HydrophobicContact CD1-CE1 3.59Å; L207-Y235 HydrophobicContact CD1-CE2 4.36Å; L207-Y235 HydrophobicContact CD1-CG 4.24Å; L207-W237 HydrophobicContact CB-CZ2 4.29Å; L207-W237 HydrophobicContact CD2-CZ2 3.97Å; L207-F273 HydrophobicContact CD1-CB 4.19Å; L207-F273 HydrophobicContact CD1-CG 4.39Å; L207-F273 HydrophobicContact CD2-CB 4.21Å; L207-F273 HydrophobicContact CD2-CD1 3.48Å; L207-F273 VanDerWaalsContact CD2-CD1 3.48Å; L207-F273 HydrophobicContact CD2-CD2 3.83Å; L207-F273 HydrophobicContact CD2-CE1 3.65Å; L207-F273 HydrophobicContact CD2-CE2 4.01Å; L207-F273 HydrophobicContact CD2-CG 3.56Å; L207-F273 HydrophobicContact CD2-CZ 3.91Å; L207-Y277 HydrophobicContact CD1-CD1 4.44Å; L207-Y277 HydrophobicContact CD2-CD1 3.67Å; L207-Y277 HydrophobicContact CD2-CE1 3.61Å; L207-Y277 HydrophobicContact CD2-CG 4.45Å; L207-Y277 HydrophobicContact CG-CD1 3.78Å; L207-Y277 HydrophobicContact CG-CE1 3.99Å
208M92.3Very high89.3Confident7 Ų751.9 Ų51.93%0.03425%0.254CS..Hα-helixtrans-61.5-39.3173.4-78.5-71.6-75.900112L185 L188 K189 S204 D205 R206 R212 L234L185-M208 HydrophobicContact CD2-CE 4.27Å; L185-M208 HydrophobicContact CD2-SD 4.29Å; L185-M208 WeakPolarHBondContact O-CE 3.3Å; L188-M208 HydrophobicContact CB-CE 4.14Å; L188-M208 HydrophobicContact CB-SD 3.72Å; L188-M208 HydrophobicContact CD1-SD 4.27Å; K189-M208 HydrophobicContact CB-CE 3.89Å; S204-M208 WeakPolarHBondContact O-CB 3.43Å; S204-M208 WeakPolarHBondContact O-CG 3.29Å; S204-M208 PolarHBondContact O-N 3.14Å; D205-M208 PolarHBondContact O-N 3.01Å; R206-M208 PolarHBondContact O-N 2.8Å; M208-R212 WeakPolarHBondContact O-CB 3.37Å; M208-R212 PolarHBondContact O-N 3.47Å; M208-R212 VanDerWaalsContact O-N 3.16Å; M208-L234 HydrophobicContact CG-CD1 3.86Å; M208-L234 HydrophobicContact CG-CD2 4.28Å; M208-L234 HydrophobicContact SD-CD1 4.04Å; M208-L234 HydrophobicContact SD-CD2 3.85Å
209K93.9Very high91.2Very high107 Ų10743.9 Ų43.947%0.46522%0.221SC..Hα-helixtrans-63.7-49.7173.5-173.8-168.9174-162.10111.2D205 R206 L207 L211 R212 E213D205-K209 PolarHBondContact O-N 2.89Å; R206-K209 WeakPolarHBondContact O-CB 3.49Å; R206-K209 PolarHBondContact O-N 3.39Å; L207-K209 VanDerWaalsContact C-N 3.3Å; L207-K209 PolarHBondContact O-N 2.88Å; K209-L211 VanDerWaalsContact C-N 3.34Å; K209-L211 PolarHBondContact O-N 3.34Å; K209-R212 WeakPolarHBondContact O-CB 3.27Å; K209-R212 PolarHBondContact O-N 3.08Å; K209-E213 HydrophobicContact CG-CG 4.5Å; K209-E213 WeakPolarHBondContact O-CG 3.33Å; K209-E213 PolarHBondContact O-N 2.78Å
210E97.5Very high92.7Very high4 Ų444.4 Ų44.42%0.01922%0.216CC..Hα-helixtrans-56.7-46.1178.8-67.6-64.9151.900112.1R206 L207 R212 E213 I214 W237 Y277 D317 I318R206-E210 IonicContact CZ-OE1 2.67Å; R206-E210 IonicContact NE-OE1 3.68Å; R206-E210 PolarHBondContact NE-OE1 2.75Å; R206-E210 IonicContact NH2-OE1 3.95Å; R206-E210 PolarHBondContact NH2-OE1 2.94Å; R206-E210 WeakPolarHBondContact O-CG 3.4Å; R206-E210 PolarHBondContact O-N 2.78Å; L207-E210 PolarHBondContact O-N 3.4Å; E210-R212 VanDerWaalsContact C-N 3.3Å; E210-R212 PolarHBondContact O-N 2.69Å; E210-E213 PolarHBondContact O-N 2.75Å; E210-I214 WeakPolarHBondContact O-CG1 3.39Å; E210-I214 PolarHBondContact O-N 2.94Å; E210-W237 HydrophobicContact CB-CH2 3.91Å; E210-Y277 HydrophobicContact CG-CE1 4.45Å; E210-Y277 WeakPolarHBondContact CG-OH 3.38Å; E210-D317 WeakPolarHBondContact OE2-CA 3.29Å; E210-I318 HydrophobicContact CB-CB 4.41Å; E210-I318 HydrophobicContact CB-CG1 4.06Å; E210-I318 HydrophobicContact CG-CG1 3.87Å; E210-I318 PolarHBondContact OE2-N 2.67Å
211L96.9Very high93.8Very high0 Ų047.7 Ų47.70%023%0.225CC..Hα-helixtrans-63.1-38.8179.8-171.162.6000111.7L185 L188 L207 K209 I214 Y215 V227 L229 W237L185-L211 HydrophobicContact CD2-CB 4.39Å; L185-L211 HydrophobicContact CD2-CD2 3.99Å; L185-L211 HydrophobicContact CD2-CG 4.22Å; L188-L211 HydrophobicContact CD1-CD2 3.94Å; L207-L211 WeakPolarHBondContact O-CB 3.28Å; L207-L211 PolarHBondContact O-N 3.03Å; K209-L211 VanDerWaalsContact C-N 3.34Å; K209-L211 PolarHBondContact O-N 3.34Å; L211-I214 WeakPolarHBondContact O-CB 3.21Å; L211-I214 PolarHBondContact O-N 2.8Å; L211-Y215 HydrophobicContact CD1-CE1 4.11Å; L211-Y215 HydrophobicContact CD1-CE2 4.04Å; L211-Y215 HydrophobicContact CD2-CE2 4.03Å; L211-Y215 HydrophobicContact CG-CD2 4.22Å; L211-Y215 HydrophobicContact CG-CE2 3.62Å; L211-Y215 WeakPolarHBondContact O-CD2 3.45Å; L211-Y215 PolarHBondContact O-N 2.91Å; L211-V227 HydrophobicContact CD1-CB 4.38Å; L211-V227 HydrophobicContact CD1-CG1 3.94Å; L211-L229 HydrophobicContact CD2-CD1 4.17Å; L211-L229 HydrophobicContact CD2-CD2 4.43Å; L211-W237 HydrophobicContact CB-CH2 3.9Å; L211-W237 HydrophobicContact CB-CZ2 4.09Å; L211-W237 HydrophobicContact CD1-CH2 4.22Å; L211-W237 HydrophobicContact CD1-CZ2 4.45Å; L211-W237 HydrophobicContact CD1-CZ3 4.36Å
212R95.7Very high94.6Very high41 Ų4147.5 Ų47.516%0.15522%0.221CC..Hα-helixtrans-65.8-44176.1-171.7-170.5-51.6178.8-6.8112.5E173 I177 L185 M208 K209 E210 I214 Y215 R216E173-R212 VanDerWaalsContact CD-NH2 3.35Å; E173-R212 VanDerWaalsContact CG-CZ 3.41Å; E173-R212 WeakPolarHBondContact O-CD 3.38Å; E173-R212 IonicContact OE1-CZ 3.66Å; E173-R212 IonicContact OE1-NH1 3.83Å; E173-R212 PolarHBondContact OE1-NH1 3.32Å; E173-R212 IonicContact OE1-NH2 3.95Å; E173-R212 PolarHBondContact OE1-NH2 3.27Å; I177-R212 HydrophobicContact CD1-CB 4.46Å; I177-R212 HydrophobicContact CD1-CG 3.47Å; I177-R212 VanDerWaalsContact CD1-CG 3.47Å; L185-R212 HydrophobicContact CD1-CB 4.17Å; L185-R212 HydrophobicContact CD1-CG 4.11Å; M208-R212 WeakPolarHBondContact O-CB 3.37Å; M208-R212 PolarHBondContact O-N 3.47Å; M208-R212 VanDerWaalsContact O-N 3.16Å; K209-R212 WeakPolarHBondContact O-CB 3.27Å; K209-R212 PolarHBondContact O-N 3.08Å; E210-R212 VanDerWaalsContact C-N 3.3Å; E210-R212 PolarHBondContact O-N 2.69Å; R212-I214 VanDerWaalsContact C-N 3.31Å; R212-Y215 PolarHBondContact O-N 2.76Å; R212-R216 PolarHBondContact O-N 3.28Å; R212-R216 VanDerWaalsContact O-N 3.14Å
213E96.5Very high95.3Very high82 Ų8242 Ų4238%0.38320%0.203SC..Hα-helixtrans-64.9-37.6176.2-63.4-46.6143.100111.4K209 E210 Y215 R216 S217K209-E213 HydrophobicContact CG-CG 4.5Å; K209-E213 WeakPolarHBondContact O-CG 3.33Å; K209-E213 PolarHBondContact O-N 2.78Å; E210-E213 PolarHBondContact O-N 2.75Å; E213-Y215 PolarHBondContact O-N 2.65Å; E213-R216 PolarHBondContact O-N 2.75Å; E213-R216 IonicContact OE1-NH1 3.3Å; E213-R216 PolarHBondContact OE1-NH1 3.12Å; E213-R216 IonicContact OE2-NH1 2.71Å; E213-R216 PolarHBondContact OE2-NH1 3.27Å; E213-S217 PolarHBondContact O-N 2.98Å
214I97.8Very high95.7Very high1 Ų143.3 Ų43.31%0.00521%0.209CC..Hα-helixtrans-58.1-49.1171.2-74.6166.6000111E210 L211 R212 R216 S217 Y220 F225 V227 W237 I318 E319 I322E210-I214 WeakPolarHBondContact O-CG1 3.39Å; E210-I214 PolarHBondContact O-N 2.94Å; L211-I214 WeakPolarHBondContact O-CB 3.21Å; L211-I214 PolarHBondContact O-N 2.8Å; R212-I214 VanDerWaalsContact C-N 3.31Å; I214-R216 PolarHBondContact O-N 3.36Å; I214-S217 WeakPolarHBondContact O-CB 3.5Å; I214-S217 PolarHBondContact O-N 3.24Å; I214-S217 PolarHBondContact O-OG 2.74Å; I214-S217 VanDerWaalsContact O-OG 3.05Å; I214-Y220 HydrophobicContact CG2-CD2 3.89Å; I214-Y220 HydrophobicContact CG2-CG 4.2Å; I214-Y220 WeakPolarHBondContact O-CB 3.33Å; I214-F225 HydrophobicContact CG2-CE2 3.73Å; I214-F225 HydrophobicContact CG2-CZ 4.14Å; I214-V227 HydrophobicContact CD1-CG2 4.46Å; I214-V227 HydrophobicContact CG2-CG2 3.96Å; I214-W237 HydrophobicContact CD1-CE3 4.5Å; I214-W237 HydrophobicContact CD1-CH2 4.4Å; I214-W237 HydrophobicContact CD1-CZ3 3.63Å; I214-I318 HydrophobicContact CD1-CB 4.16Å; I214-I318 HydrophobicContact CD1-CG2 3.97Å; I214-E319 HydrophobicContact CG1-CB 3.88Å; I214-I322 HydrophobicContact CD1-CD1 4.4Å
215Y97.4Very high96.1Very high3 Ų343.3 Ų43.31%0.01221%0.209CC..Hα-helixtrans-64.8-22.9-179.2-65.6-30.2000113.9I177 D181 Q184 L185 L211 R212 E213 Y220I177-Y215 HydrophobicContact CG2-CD2 4.46Å; D181-Y215 HydrophobicContact CB-CD1 4.17Å; D181-Y215 HydrophobicContact CB-CD2 3.62Å; D181-Y215 HydrophobicContact CB-CE1 4.33Å; D181-Y215 HydrophobicContact CB-CE2 3.8Å; D181-Y215 HydrophobicContact CB-CG 3.8Å; D181-Y215 WeakPolarHBondContact OD1-CE1 3.33Å; Q184-Y215 PolarHBondContact NE2-OH 3.46Å; L185-Y215 HydrophobicContact CD1-CD2 3.96Å; L185-Y215 HydrophobicContact CD1-CE2 4.44Å; L185-Y215 HydrophobicContact CD2-CD2 4.48Å; L185-Y215 HydrophobicContact CD2-CE2 4.34Å; L185-Y215 HydrophobicContact CG-CD2 4.13Å; L185-Y215 HydrophobicContact CG-CE2 4.1Å; L211-Y215 HydrophobicContact CD1-CE1 4.11Å; L211-Y215 HydrophobicContact CD1-CE2 4.04Å; L211-Y215 HydrophobicContact CD2-CE2 4.03Å; L211-Y215 HydrophobicContact CG-CD2 4.22Å; L211-Y215 HydrophobicContact CG-CE2 3.62Å; L211-Y215 WeakPolarHBondContact O-CD2 3.45Å; L211-Y215 PolarHBondContact O-N 2.91Å; R212-Y215 PolarHBondContact O-N 2.76Å; E213-Y215 PolarHBondContact O-N 2.65Å; Y215-Y220 HydrophobicContact CD1-CD1 4.09Å; Y215-Y220 HydrophobicContact CD1-CD2 4.37Å; Y215-Y220 AromaticContact CD1-CE1 3.55Å; Y215-Y220 HydrophobicContact CD1-CE1 3.55Å; Y215-Y220 AromaticContact CD1-CE2 3.86Å; Y215-Y220 HydrophobicContact CD1-CE2 3.86Å; Y215-Y220 HydrophobicContact CD1-CG 4.47Å; Y215-Y220 AromaticContact CD1-CZ 3.42Å; Y215-Y220 VanDerWaalsContact CD1-CZ 3.42Å; Y215-Y220 HydrophobicContact CE1-CE1 4.16Å; Y215-Y220 AromaticContact CE1-CE2 3.88Å; Y215-Y220 HydrophobicContact CE1-CE2 3.88Å; Y215-Y220 AromaticContact CE1-CZ 3.56Å; Y215-Y220 WeakPolarHBondContact CE1-OH 3.31Å; Y215-Y220 HydrophobicContact CG-CE1 4.45Å
216R96.1Very high96.6Very high62 Ų6241.1 Ų41.123%0.23420%0.199CC..Hα-helixtrans-83.3-20.5171.5-68.5-164.4-157.6108.1-6.7113.8E173 D175 I177 R212 E213 I214 K221E173-R216 PolarHBondContact O-NH2 3.2Å; D175-R216 VanDerWaalsContact O-CD 3.24Å; D175-R216 WeakPolarHBondContact O-CD 3.29Å; D175-R216 PolarHBondContact O-NE 2.96Å; I177-R216 HydrophobicContact CD1-CG 3.92Å; I177-R216 HydrophobicContact CG1-CG 3.47Å; I177-R216 VanDerWaalsContact CG1-CG 3.47Å; R212-R216 PolarHBondContact O-N 3.28Å; R212-R216 VanDerWaalsContact O-N 3.14Å; E213-R216 PolarHBondContact O-N 2.75Å; E213-R216 IonicContact OE1-NH1 3.3Å; E213-R216 PolarHBondContact OE1-NH1 3.12Å; E213-R216 IonicContact OE2-NH1 2.71Å; E213-R216 PolarHBondContact OE2-NH1 3.27Å; I214-R216 PolarHBondContact O-N 3.36Å; R216-K221 VanDerWaalsContact O-CE 3.29Å; R216-K221 WeakPolarHBondContact O-CE 3.44Å; R216-K221 PolarHBondContact O-NZ 3.39Å
217S96.8Very high96.7Very high14 Ų1439.1 Ų39.110%0.09819%0.192CC..SBendtrans-69.4147.3-169.585.10000112.8E213 I214 S219 Y220 K221E213-S217 PolarHBondContact O-N 2.98Å; I214-S217 WeakPolarHBondContact O-CB 3.5Å; I214-S217 PolarHBondContact O-N 3.24Å; I214-S217 PolarHBondContact O-OG 2.74Å; I214-S217 VanDerWaalsContact O-OG 3.05Å; S217-S219 VanDerWaalsContact C-N 3.26Å; S217-S219 PolarHBondContact O-N 2.86Å; S217-Y220 PolarHBondContact O-N 2.87Å; S217-Y220 PolarHBondContact OG-N 2.84Å; S217-K221 WeakPolarHBondContact O-CG 3.48Å; S217-K221 PolarHBondContact O-N 3.37Å
218D96.8Very high96.8Very high113 Ų11342.7 Ų42.760%0.60421%0.209SC*.Hα-helixtrans-63.7-35.9175.8-72.7-29.3000111.3Y220 K221 Q222D218-Y220 VanDerWaalsContact C-N 3.32Å; D218-Y220 PolarHBondContact O-N 3.31Å; D218-K221 PolarHBondContact O-N 3.19Å; D218-Q222 VanDerWaalsContact O-CB 3.27Å; D218-Q222 WeakPolarHBondContact O-CB 3.31Å; D218-Q222 WeakPolarHBondContact O-CG 3.1Å; D218-Q222 PolarHBondContact O-N 2.92Å
219S97Very high96.9Very high19 Ų1943.3 Ų43.313%0.13321%0.212CC..Hα-helixtrans-58.5-43177.8-50.90000112S217 I224 E319S217-S219 VanDerWaalsContact C-N 3.26Å; S217-S219 PolarHBondContact O-N 2.86Å; S219-I224 VanDerWaalsContact O-CB 3.3Å; S219-I224 WeakPolarHBondContact O-CB 3.23Å; S219-I224 WeakPolarHBondContact O-CG1 3.42Å; S219-I224 PolarHBondContact O-N 2.81Å; S219-E319 VanDerWaalsContact CB-OE1 3.24Å; S219-E319 WeakPolarHBondContact CB-OE1 3.5Å; S219-E319 PolarHBondContact OG-OE1 3.1Å
220Y97.8Very high96.9Very high37 Ų3741 Ų4115%0.14520%0.203CC..Hα-helixtrans-69.2-48.1175.2-178.3-100.1000111.3D181 I214 Y215 S217 D218 Q222 G223 F225 T226D181-Y220 PolarHBondContact OD1-OH 3.37Å; D181-Y220 WeakPolarHBondContact OD2-CE1 3.16Å; D181-Y220 PolarHBondContact OD2-OH 3.05Å; I214-Y220 HydrophobicContact CG2-CD2 3.89Å; I214-Y220 HydrophobicContact CG2-CG 4.2Å; I214-Y220 WeakPolarHBondContact O-CB 3.33Å; Y215-Y220 HydrophobicContact CD1-CD1 4.09Å; Y215-Y220 HydrophobicContact CD1-CD2 4.37Å; Y215-Y220 AromaticContact CD1-CE1 3.55Å; Y215-Y220 HydrophobicContact CD1-CE1 3.55Å; Y215-Y220 AromaticContact CD1-CE2 3.86Å; Y215-Y220 HydrophobicContact CD1-CE2 3.86Å; Y215-Y220 HydrophobicContact CD1-CG 4.47Å; Y215-Y220 AromaticContact CD1-CZ 3.42Å; Y215-Y220 VanDerWaalsContact CD1-CZ 3.42Å; Y215-Y220 HydrophobicContact CE1-CE1 4.16Å; Y215-Y220 AromaticContact CE1-CE2 3.88Å; Y215-Y220 HydrophobicContact CE1-CE2 3.88Å; Y215-Y220 AromaticContact CE1-CZ 3.56Å; Y215-Y220 WeakPolarHBondContact CE1-OH 3.31Å; Y215-Y220 HydrophobicContact CG-CE1 4.45Å; S217-Y220 PolarHBondContact O-N 2.87Å; S217-Y220 PolarHBondContact OG-N 2.84Å; D218-Y220 VanDerWaalsContact C-N 3.32Å; D218-Y220 PolarHBondContact O-N 3.31Å; Y220-Q222 VanDerWaalsContact C-N 3.28Å; Y220-Q222 PolarHBondContact O-N 2.82Å; Y220-G223 WeakPolarHBondContact O-CA 3.26Å; Y220-G223 PolarHBondContact O-N 3.27Å; Y220-F225 HydrophobicContact CD2-CE2 4.32Å; Y220-T226 HydrophobicContact CE2-CG2 4.49Å
221K96.8Very high96.4Very high110 Ų11048.2 Ų48.248%0.47824%0.242SC..Hα-helixtrans-62-32.5-179.4-72.6170.3177165.70113.6G176 R216 S217 D218 G223G176-K221 WeakPolarHBondContact O-CE 3.26Å; G176-K221 PolarHBondContact O-NZ 2.91Å; R216-K221 VanDerWaalsContact O-CE 3.29Å; R216-K221 WeakPolarHBondContact O-CE 3.44Å; R216-K221 PolarHBondContact O-NZ 3.39Å; S217-K221 WeakPolarHBondContact O-CG 3.48Å; S217-K221 PolarHBondContact O-N 3.37Å; D218-K221 PolarHBondContact O-N 3.19Å; K221-G223 PolarHBondContact O-N 3.22Å
222Q96.7Very high95.9Very high122 Ų12252.7 Ų52.757%0.5727%0.265SS*.THydrogen-bonded Turntrans-79.7-1.9175.4-69176.220.500113.1D218 Y220 I224 K243D218-Q222 VanDerWaalsContact O-CB 3.27Å; D218-Q222 WeakPolarHBondContact O-CB 3.31Å; D218-Q222 WeakPolarHBondContact O-CG 3.1Å; D218-Q222 PolarHBondContact O-N 2.92Å; Y220-Q222 VanDerWaalsContact C-N 3.28Å; Y220-Q222 PolarHBondContact O-N 2.82Å; Q222-I224 VanDerWaalsContact C-N 3.34Å; Q222-I224 HydrophobicContact CB-CG1 4.36Å; Q222-I224 PolarHBondContact O-N 3.24Å; Q222-K243 PolarHBondContact O-NZ 3.3Å
223G96.8Very high95.6Very high27 Ų2752.8 Ų52.828%0.27827%0.273SS..THydrogen-bonded Turntrans66.333.9-179.100000112.9Y220 K221 F225Y220-G223 WeakPolarHBondContact O-CA 3.26Å; Y220-G223 PolarHBondContact O-N 3.27Å; K221-G223 PolarHBondContact O-N 3.22Å; G223-F225 VanDerWaalsContact C-N 3.31Å
224I98.1Very high95.4Very high29 Ų2949.1 Ų49.115%0.14926%0.255CS..SBendtrans-65.5-43.4170.6-60.4-177.5000109S219 Q222 L241 Y242 K243 M323S219-I224 VanDerWaalsContact O-CB 3.3Å; S219-I224 WeakPolarHBondContact O-CB 3.23Å; S219-I224 WeakPolarHBondContact O-CG1 3.42Å; S219-I224 PolarHBondContact O-N 2.81Å; Q222-I224 VanDerWaalsContact C-N 3.34Å; Q222-I224 HydrophobicContact CB-CG1 4.36Å; Q222-I224 PolarHBondContact O-N 3.24Å; I224-L241 HydrophobicContact CG2-CD1 4.19Å; I224-Y242 PolarHBondContact O-N 2.89Å; I224-K243 HydrophobicContact CG1-CD 4.46Å; I224-K243 HydrophobicContact CG2-CB 4.25Å; I224-K243 PolarHBondContact O-N 3.47Å; I224-M323 HydrophobicContact CD1-CE 4.03Å; I224-M323 HydrophobicContact CG2-CE 4.25Å; I224-M323 HydrophobicContact CG2-SD 4.02Å
225F98.6Very high95.2Very high0 Ų050.1 Ų50.10%026%0.259CS..EExtended strand (participates in β ladder)trans-145164.4173.866.6-91.6000111.4I214 Y220 G223 V227 V239 K240 L241 E319 I322 M323I214-F225 HydrophobicContact CG2-CE2 3.73Å; I214-F225 HydrophobicContact CG2-CZ 4.14Å; Y220-F225 HydrophobicContact CD2-CE2 4.32Å; G223-F225 VanDerWaalsContact C-N 3.31Å; F225-V227 HydrophobicContact CD2-CG2 3.98Å; F225-V227 HydrophobicContact CE2-CG2 3.87Å; F225-V239 HydrophobicContact CB-CG1 4.1Å; F225-V239 HydrophobicContact CD2-CG1 3.97Å; F225-V239 HydrophobicContact CG-CG1 4.3Å; F225-K240 CarbonylContact C-O 3.54Å; F225-K240 WeakPolarHBondContact CA-O 3.48Å; F225-K240 VanDerWaalsContact CB-O 3.31Å; F225-K240 WeakPolarHBondContact CB-O 3.35Å; F225-L241 HydrophobicContact CB-CD1 4.17Å; F225-E319 HydrophobicContact CE1-CG 4.21Å; F225-E319 HydrophobicContact CZ-CG 3.88Å; F225-I322 HydrophobicContact CB-CG2 4.33Å; F225-I322 HydrophobicContact CD1-CG2 3.75Å; F225-I322 HydrophobicContact CD2-CD1 4.04Å; F225-I322 HydrophobicContact CD2-CG2 4.24Å; F225-I322 HydrophobicContact CE1-CG2 4.06Å; F225-I322 HydrophobicContact CE2-CD1 3.66Å; F225-I322 HydrophobicContact CG-CG2 3.85Å; F225-I322 HydrophobicContact CZ-CD1 4.02Å; F225-I322 HydrophobicContact CZ-CG2 4.44Å; F225-M323 HydrophobicContact CD1-SD 4.24Å; F225-M323 HydrophobicContact CE1-SD 4.12Å
226T98.1Very high95.2Very high37 Ų3751.5 Ų51.523%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-128161.1168.257.40000110.5Y220 V239 K240 Y242Y220-T226 HydrophobicContact CE2-CG2 4.49Å; T226-V239 CarbonylContact O-C 3.47Å; T226-V239 VanDerWaalsContact O-CA 3.32Å; T226-V239 WeakPolarHBondContact O-CA 3.43Å; T226-K240 PolarHBondContact N-O 2.89Å; T226-K240 PolarHBondContact O-N 3.39Å; T226-K240 WeakPolarHBondContact OG1-CB 3.38Å; T226-Y242 HydrophobicContact CG2-CE2 3.8Å; T226-Y242 WeakPolarHBondContact OG1-CE2 3.36Å; T226-Y242 PolarHBondContact OG1-OH 2.93Å
227V98.1Very high95.3Very high7 Ų748.5 Ų48.54%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-126.3127-178.3-175.50000110L211 I214 F225 W237 V239L211-V227 HydrophobicContact CD1-CB 4.38Å; L211-V227 HydrophobicContact CD1-CG1 3.94Å; I214-V227 HydrophobicContact CD1-CG2 4.46Å; I214-V227 HydrophobicContact CG2-CG2 3.96Å; F225-V227 HydrophobicContact CD2-CG2 3.98Å; F225-V227 HydrophobicContact CE2-CG2 3.87Å; V227-W237 HydrophobicContact CG1-CB 4.17Å; V227-W237 HydrophobicContact CG1-CD2 4.13Å; V227-W237 HydrophobicContact CG1-CE3 3.85Å; V227-W237 HydrophobicContact CG1-CG 4.3Å; V227-V239 HydrophobicContact CG2-CG2 4.24Å
228E96.6Very high95.3Very high75 Ų7549.4 Ų49.435%0.3526%0.258SS..EExtended strand (participates in β ladder)trans-122.2128175.9-67.3178.4170.300110.3Q230 K238 K240E228-Q230 PolarHBondContact O-N 3.3Å; E228-K238 HydrophobicContact CB-CB 4.4Å; E228-K238 PolarHBondContact N-O 3.02Å; E228-K238 PolarHBondContact O-N 3.22Å; E228-K240 VanDerWaalsContact CD-CE 3.44Å; E228-K240 WeakPolarHBondContact OE1-CE 3.48Å; E228-K240 IonicContact OE1-NZ 2.64Å; E228-K240 PolarHBondContact OE1-NZ 2.81Å; E228-K240 WeakPolarHBondContact OE2-CE 3.17Å; E228-K240 IonicContact OE2-NZ 3.5Å; E228-K240 PolarHBondContact OE2-NZ 2.97Å
229L95.3Very high95.4Very high19 Ų1944 Ų4410%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-79.7119.3175.1-57.7-174.3000110.3L188 L211 N231 L234 W237L188-L229 HydrophobicContact CD1-CD1 3.32Å; L188-L229 HydrophobicContact CD2-CD1 3.61Å; L188-L229 HydrophobicContact CG-CD1 4.07Å; L211-L229 HydrophobicContact CD2-CD1 4.17Å; L211-L229 HydrophobicContact CD2-CD2 4.43Å; L229-N231 PolarHBondContact O-N 2.81Å; L229-L234 HydrophobicContact CD1-CD2 4.15Å; L229-W237 HydrophobicContact CD2-CD2 4.17Å; L229-W237 HydrophobicContact CD2-CG 3.74Å; L229-W237 VanDerWaalsContact CD2-NE1 3.35Å
230Q93Very high95.5Very high60 Ų6044.5 Ų44.528%0.2823%0.229SC..G310 helixtrans-74.1122.7-179.9-65.2-64.2-66.300109.7E228 D232 S233 N236 K238E228-Q230 PolarHBondContact O-N 3.3Å; Q230-D232 VanDerWaalsContact C-N 3.25Å; Q230-D232 PolarHBondContact O-N 3.35Å; Q230-S233 WeakPolarHBondContact O-CB 3.19Å; Q230-S233 PolarHBondContact O-N 2.87Å; Q230-N236 HydrophobicContact CB-CB 4.22Å; Q230-N236 PolarHBondContact N-O 2.95Å; Q230-K238 HydrophobicContact CG-CB 3.9Å; Q230-K238 VanDerWaalsContact NE2-CB 3.26Å
231N87.7Confident95.5Very high155 Ų15542.8 Ų42.883%0.82922%0.222SC*.G310 helixtrans54.638.5-176.6-51.8-49.6000113.1L229 S233L229-N231 PolarHBondContact O-N 2.81Å; N231-S233 PolarHBondContact O-N 2.78Å
232D86Confident95.6Very high93 Ų9341 Ų4150%0.49721%0.212SC..G310 helixtrans55.323-175.5-67.9-42000113.4K187 Q230K187-D232 IonicContact NZ-OD1 3.16Å; K187-D232 PolarHBondContact NZ-OD1 3Å; K187-D232 IonicContact NZ-OD2 3.42Å; K187-D232 PolarHBondContact NZ-OD2 2.88Å; Q230-D232 VanDerWaalsContact C-N 3.25Å; Q230-D232 PolarHBondContact O-N 3.35Å
233S89.8Confident95.7Very high44 Ų4440.2 Ų40.231%0.30821%0.207SC..  trans-90.3120.6-177.8-173.70000112.1Q230 N231 Y235 N236Q230-S233 WeakPolarHBondContact O-CB 3.19Å; Q230-S233 PolarHBondContact O-N 2.87Å; N231-S233 PolarHBondContact O-N 2.78Å; S233-Y235 PolarHBondContact O-N 3.39Å; S233-Y235 VanDerWaalsContact O-N 3.12Å; S233-Y235 PolarHBondContact OG-N 3.3Å; S233-N236 PolarHBondContact O-N 3.24Å
234L92.2Very high95.7Very high4 Ų439.6 Ų39.62%0.02120%0.198CC..THydrogen-bonded Turntrans-60.3-17169.3-78.4176.1000113.6L188 M208 L229 W237L188-L234 HydrophobicContact CD1-CD2 3.96Å; L188-L234 HydrophobicContact CD2-CD2 4.26Å; L188-L234 HydrophobicContact CD2-CG 4.22Å; L188-L234 HydrophobicContact CG-CD2 4.49Å; M208-L234 HydrophobicContact CG-CD1 3.86Å; M208-L234 HydrophobicContact CG-CD2 4.28Å; M208-L234 HydrophobicContact SD-CD1 4.04Å; M208-L234 HydrophobicContact SD-CD2 3.85Å; L229-L234 HydrophobicContact CD1-CD2 4.15Å; L234-W237 PolarHBondContact O-NE1 3.08Å
235Y94.5Very high95.6Very high22 Ų2242.5 Ų42.59%0.08621%0.214CC..THydrogen-bonded Turntrans-1001-176.7-70.4-89.7000113.5K198 G199 S200 S203 S204 L207 S233 F273K198-Y235 WeakPolarHBondContact O-CD2 3.49Å; K198-Y235 VanDerWaalsContact O-CE2 3.31Å; K198-Y235 WeakPolarHBondContact O-CE2 3.36Å; G199-Y235 WeakPolarHBondContact CA-OH 3.31Å; S200-Y235 PolarHBondContact O-OH 3.14Å; S203-Y235 WeakPolarHBondContact CB-OH 3.27Å; S203-Y235 WeakPolarHBondContact OG-CE1 3.48Å; S203-Y235 PolarHBondContact OG-OH 2.95Å; S204-Y235 PolarHBondContact N-OH 3.47Å; S204-Y235 PolarHBondContact OG-OH 2.85Å; L207-Y235 HydrophobicContact CD1-CD1 3.78Å; L207-Y235 HydrophobicContact CD1-CE1 3.59Å; L207-Y235 HydrophobicContact CD1-CE2 4.36Å; L207-Y235 HydrophobicContact CD1-CG 4.24Å; S233-Y235 PolarHBondContact O-N 3.39Å; S233-Y235 VanDerWaalsContact O-N 3.12Å; S233-Y235 PolarHBondContact OG-N 3.3Å; Y235-F273 HydrophobicContact CD1-CB 3.8Å; Y235-F273 PolarHBondContact O-N 2.95Å
236N96Very high95.5Very high32 Ų3249.6 Ų49.617%0.17125%0.247CC..EExtended strand (participates in β ladder)trans-14198.8-178.7-176.1-3.8000111.1Q230 S233 Q270 F271 L272Q230-N236 HydrophobicContact CB-CB 4.22Å; Q230-N236 PolarHBondContact N-O 2.95Å; S233-N236 PolarHBondContact O-N 3.24Å; N236-Q270 PolarHBondContact ND2-NE2 2.72Å; N236-Q270 PolarHBondContact OD1-NE2 3.13Å; N236-F271 WeakPolarHBondContact CA-O 3.28Å; N236-L272 HydrophobicContact CB-CD2 3.89Å; N236-L272 VanDerWaalsContact CG-CD2 3.48Å; N236-L272 WeakPolarHBondContact OD1-CD2 3.45Å
237W98.1Very high95.4Very high0 Ų055.2 Ų55.20%028%0.276CS..EExtended strand (participates in β ladder)trans-105.5136.3-177.4-56.76.4000109.8L207 E210 L211 I214 V227 L229 L234 Q270 F271 F273 I318L207-W237 HydrophobicContact CB-CZ2 4.29Å; L207-W237 HydrophobicContact CD2-CZ2 3.97Å; E210-W237 HydrophobicContact CB-CH2 3.91Å; L211-W237 HydrophobicContact CB-CH2 3.9Å; L211-W237 HydrophobicContact CB-CZ2 4.09Å; L211-W237 HydrophobicContact CD1-CH2 4.22Å; L211-W237 HydrophobicContact CD1-CZ2 4.45Å; L211-W237 HydrophobicContact CD1-CZ3 4.36Å; I214-W237 HydrophobicContact CD1-CE3 4.5Å; I214-W237 HydrophobicContact CD1-CH2 4.4Å; I214-W237 HydrophobicContact CD1-CZ3 3.63Å; V227-W237 HydrophobicContact CG1-CB 4.17Å; V227-W237 HydrophobicContact CG1-CD2 4.13Å; V227-W237 HydrophobicContact CG1-CE3 3.85Å; V227-W237 HydrophobicContact CG1-CG 4.3Å; L229-W237 HydrophobicContact CD2-CD2 4.17Å; L229-W237 HydrophobicContact CD2-CG 3.74Å; L229-W237 VanDerWaalsContact CD2-NE1 3.35Å; L234-W237 PolarHBondContact O-NE1 3.08Å; W237-Q270 CarbonylContact O-C 3.59Å; W237-Q270 WeakPolarHBondContact O-CA 3.36Å; W237-F271 HydrophobicContact CB-CB 4.26Å; W237-F271 PolarHBondContact N-O 3.48Å; W237-F271 PolarHBondContact O-N 3.32Å; W237-F273 HydrophobicContact CB-CE2 4.33Å; W237-F273 AromaticContact CD1-CE2 3.84Å; W237-F273 AromaticContact CD2-CE2 3.57Å; W237-F273 HydrophobicContact CD2-CE2 3.57Å; W237-F273 HydrophobicContact CD2-CZ 4.07Å; W237-F273 AromaticContact CE2-CE2 3.72Å; W237-F273 HydrophobicContact CE3-CE2 4.06Å; W237-F273 HydrophobicContact CE3-CZ 4.1Å; W237-F273 HydrophobicContact CG-CD2 4.49Å; W237-F273 AromaticContact CG-CE2 3.68Å; W237-F273 HydrophobicContact CG-CE2 3.68Å; W237-F273 HydrophobicContact CZ2-CE2 4.35Å; W237-F273 HydrophobicContact CZ3-CZ 4.35Å; W237-F273 AromaticContact NE1-CE2 3.82Å; W237-I318 HydrophobicContact CE3-CG2 4.18Å; W237-I318 HydrophobicContact CZ3-CB 4.29Å; W237-I318 HydrophobicContact CZ3-CG2 3.73Å
238K98.4Very high95.4Very high32 Ų3255.5 Ų55.514%0.13928%0.278CS..EExtended strand (participates in β ladder)trans-102.1113.1166.1-178.3178-177.8-173.70108.1E228 Q230 L269 L287 Y288E228-K238 HydrophobicContact CB-CB 4.4Å; E228-K238 PolarHBondContact N-O 3.02Å; E228-K238 PolarHBondContact O-N 3.22Å; Q230-K238 HydrophobicContact CG-CB 3.9Å; Q230-K238 VanDerWaalsContact NE2-CB 3.26Å; K238-L269 CarbonylContact C-O 3.53Å; K238-L269 WeakPolarHBondContact CA-O 3.41Å; K238-L287 HydrophobicContact CD-CD1 4.15Å; K238-L287 HydrophobicContact CG-CD1 3.85Å; K238-Y288 WeakPolarHBondContact CE-OH 3.42Å; K238-Y288 PolarHBondContact NZ-OH 2.87Å
239V98.7Very high95.4Very high0 Ų053.4 Ų53.40%028%0.277CS..EExtended strand (participates in β ladder)trans-98.9125.9176.5179.40000108.1F225 T226 V227 L269 F271 I322F225-V239 HydrophobicContact CB-CG1 4.1Å; F225-V239 HydrophobicContact CD2-CG1 3.97Å; F225-V239 HydrophobicContact CG-CG1 4.3Å; T226-V239 CarbonylContact O-C 3.47Å; T226-V239 VanDerWaalsContact O-CA 3.32Å; T226-V239 WeakPolarHBondContact O-CA 3.43Å; V227-V239 HydrophobicContact CG2-CG2 4.24Å; V239-L269 HydrophobicContact CB-CB 4.21Å; V239-L269 PolarHBondContact N-O 3.36Å; V239-L269 PolarHBondContact O-N 3.3Å; V239-F271 HydrophobicContact CB-CD2 4.44Å; V239-F271 HydrophobicContact CB-CE2 4.3Å; V239-F271 HydrophobicContact CG2-CD2 3.72Å; V239-F271 HydrophobicContact CG2-CE2 3.83Å; V239-I322 HydrophobicContact CG1-CD1 3.9Å; V239-I322 HydrophobicContact CG1-CG1 4.16Å; V239-I322 HydrophobicContact CG1-CG2 3.98Å; V239-I322 HydrophobicContact CG2-CD1 3.9Å; V239-I322 HydrophobicContact CG2-CG1 4.35Å
240K98.6Very high95.6Very high30 Ų3052.7 Ų52.713%0.1327%0.273CS..EExtended strand (participates in β ladder)trans-103.7111.3176.6-58.5177.6168.6172.70108.3F225 T226 E228 Y242 H266F225-K240 CarbonylContact C-O 3.54Å; F225-K240 WeakPolarHBondContact CA-O 3.48Å; F225-K240 VanDerWaalsContact CB-O 3.31Å; F225-K240 WeakPolarHBondContact CB-O 3.35Å; T226-K240 PolarHBondContact N-O 2.89Å; T226-K240 PolarHBondContact O-N 3.39Å; T226-K240 WeakPolarHBondContact OG1-CB 3.38Å; E228-K240 VanDerWaalsContact CD-CE 3.44Å; E228-K240 WeakPolarHBondContact OE1-CE 3.48Å; E228-K240 IonicContact OE1-NZ 2.64Å; E228-K240 PolarHBondContact OE1-NZ 2.81Å; E228-K240 WeakPolarHBondContact OE2-CE 3.17Å; E228-K240 IonicContact OE2-NZ 3.5Å; E228-K240 PolarHBondContact OE2-NZ 2.97Å; K240-Y242 HydrophobicContact CB-CE2 3.83Å; K240-Y242 WeakPolarHBondContact CD-OH 3.35Å; K240-Y242 WeakPolarHBondContact O-CD2 3.33Å; K240-Y242 WeakPolarHBondContact O-CE2 3.4Å; K240-H266 HydrophobicContact CB-CB 4.39Å; K240-H266 WeakPolarHBondContact CB-CD2 3.4Å; K240-H266 WeakPolarHBondContact CD-NE2 3.39Å; K240-H266 VanDerWaalsContact CG-CD2 3.45Å; K240-H266 WeakPolarHBondContact CG-CD2 3.49Å; K240-H266 WeakPolarHBondContact CG-NE2 2.97Å
241L98.6Very high95.8Very high0 Ų051.2 Ų51.20%027%0.266CS..EExtended strand (participates in β ladder)trans-95.8116.9180-18072.1000109.6I224 F225 K243 V244 H266 L267 A326I224-L241 HydrophobicContact CG2-CD1 4.19Å; F225-L241 HydrophobicContact CB-CD1 4.17Å; L241-K243 WeakPolarHBondContact CD1-O 3.41Å; L241-V244 HydrophobicContact CD2-CG1 3.85Å; L241-V244 HydrophobicContact CG-CG1 4.34Å; L241-H266 WeakPolarHBondContact O-CB 3.31Å; L241-L267 HydrophobicContact CB-CB 4.25Å; L241-L267 HydrophobicContact CD2-CD2 4.05Å; L241-L267 PolarHBondContact N-O 3.32Å; L241-L267 PolarHBondContact O-N 3.49Å; L241-A326 HydrophobicContact CD1-CB 4.14Å; L241-A326 HydrophobicContact CD2-CB 3.83Å
242Y98.1Very high96.3Very high72 Ų7250.1 Ų50.128%0.28225%0.254SS..  trans-101.8-30-176.6-59.6-85.4000112.7I224 T226 K240 H266I224-Y242 PolarHBondContact O-N 2.89Å; T226-Y242 HydrophobicContact CG2-CE2 3.8Å; T226-Y242 WeakPolarHBondContact OG1-CE2 3.36Å; T226-Y242 PolarHBondContact OG1-OH 2.93Å; K240-Y242 HydrophobicContact CB-CE2 3.83Å; K240-Y242 WeakPolarHBondContact CD-OH 3.35Å; K240-Y242 WeakPolarHBondContact O-CD2 3.33Å; K240-Y242 WeakPolarHBondContact O-CE2 3.4Å; Y242-H266 HydrophobicContact CD1-CB 3.57Å; Y242-H266 HydrophobicContact CE1-CB 3.58Å; Y242-H266 AromaticContact CE1-CG 3.83Å; Y242-H266 AromaticContact CE1-ND1 3.75Å; Y242-H266 HydrophobicContact CG-CB 4.23Å
243K97.6Very high96.8Very high106 Ų10645.9 Ų45.946%0.46123%0.231SC..  trans-126137.8-173.9-57.2178.4-175.1172.40111.2Q222 I224 L241Q222-K243 PolarHBondContact O-NZ 3.3Å; I224-K243 HydrophobicContact CG1-CD 4.46Å; I224-K243 HydrophobicContact CG2-CB 4.25Å; I224-K243 PolarHBondContact O-N 3.47Å; L241-K243 WeakPolarHBondContact CD1-O 3.41Å
244V97.2Very high97.2Very high15 Ų1544.1 Ų44.19%0.09122%0.218CC..  trans-135.3176.4169.3-57.60000108.1L241 E246 L250 H251 L254 A326 V330L241-V244 HydrophobicContact CD2-CG1 3.85Å; L241-V244 HydrophobicContact CG-CG1 4.34Å; V244-E246 PolarHBondContact O-N 3.09Å; V244-L250 HydrophobicContact CG1-CD2 4.07Å; V244-L250 HydrophobicContact CG2-CB 4.16Å; V244-L250 HydrophobicContact CG2-CD2 4.21Å; V244-L250 HydrophobicContact CG2-CG 4.08Å; V244-H251 HydrophobicContact CG2-CB 3.88Å; V244-H251 PolarHBondContact O-ND1 3.38Å; V244-L254 HydrophobicContact CG1-CD1 4.04Å; V244-L254 HydrophobicContact CG2-CD1 3.89Å; V244-A326 HydrophobicContact CG1-CB 4.36Å; V244-V330 HydrophobicContact CB-CG2 3.87Å; V244-V330 HydrophobicContact CG2-CG2 4.15Å
245D96.8Very high97.4Very high90 Ų9049.1 Ų49.148%0.48124%0.242SC..  trans-47.3123178.1-167.5-49.2000112.3D247 S248 H251 V330D245-D247 PolarHBondContact O-N 2.61Å; D245-D247 PolarHBondContact OD1-N 3.19Å; D245-S248 VanDerWaalsContact O-CB 3.25Å; D245-S248 WeakPolarHBondContact O-CB 3.27Å; D245-S248 PolarHBondContact O-N 2.93Å; D245-S248 PolarHBondContact O-OG 2.91Å; D245-H251 WeakPolarHBondContact O-CB 3.48Å; D245-V330 HydrophobicContact CB-CG1 4Å; D245-V330 HydrophobicContact CB-CG2 4.08Å
246E96.9Very high97.5Very high149 Ų14953.5 Ų53.570%0.69626%0.263SS*.THydrogen-bonded Turntrans-64-25.1-172.8-59.8-172.3167.900113.4V244 S248V244-E246 PolarHBondContact O-N 3.09Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 3.01Å
247D96.3Very high97.4Very high154 Ų15452 Ų5282%0.82426%0.255SS*.THydrogen-bonded Turntrans-81.5-9.9178.8-71.3-34.5000112.5D245D245-D247 PolarHBondContact O-N 2.61Å; D245-D247 PolarHBondContact OD1-N 3.19Å
248S97.2Very high97.2Very high13 Ų1356 Ų569%0.09128%0.279CS..SBendtrans-77.6153.4-17676.30000114D245 E246 L250 H251D245-S248 VanDerWaalsContact O-CB 3.25Å; D245-S248 WeakPolarHBondContact O-CB 3.27Å; D245-S248 PolarHBondContact O-N 2.93Å; D245-S248 PolarHBondContact O-OG 2.91Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 3.01Å; S248-L250 VanDerWaalsContact C-N 3.25Å; S248-L250 PolarHBondContact O-N 3.18Å; S248-H251 PolarHBondContact O-N 3.06Å; S248-H251 WeakPolarHBondContact OG-CB 3.37Å; S248-H251 PolarHBondContact OG-N 3.23Å
249G97.5Very high96.9Very high32 Ų3261.1 Ų61.133%0.3331%0.308SS..Hα-helixtrans-62.1-34.4169.200000112.7H251 K252 D253G249-H251 VanDerWaalsContact C-N 3.34Å; G249-H251 PolarHBondContact O-N 3.15Å; G249-K252 PolarHBondContact O-N 2.93Å; G249-D253 PolarHBondContact O-N 3.46Å; G249-D253 VanDerWaalsContact O-N 3.17Å
250L97.9Very high96.6Very high3 Ų363.8 Ų63.82%0.01632%0.321CS..Hα-helixtrans-64.6-36.7178.4-176.360.6000112.2V244 S248 K252 D253 L254 I291 L329 A334 I336V244-L250 HydrophobicContact CG1-CD2 4.07Å; V244-L250 HydrophobicContact CG2-CB 4.16Å; V244-L250 HydrophobicContact CG2-CD2 4.21Å; V244-L250 HydrophobicContact CG2-CG 4.08Å; S248-L250 VanDerWaalsContact C-N 3.25Å; S248-L250 PolarHBondContact O-N 3.18Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 2.78Å; L250-D253 PolarHBondContact O-N 3.46Å; L250-L254 HydrophobicContact CG-CD1 4.38Å; L250-L254 WeakPolarHBondContact O-CG 3.49Å; L250-L254 PolarHBondContact O-N 2.83Å; L250-I291 HydrophobicContact CD1-CD1 4.22Å; L250-L329 HydrophobicContact CD2-CB 3.99Å; L250-A334 WeakPolarHBondContact CB-O 3.3Å; L250-A334 HydrophobicContact CD1-CB 4.44Å; L250-A334 HydrophobicContact CD2-CB 4.06Å; L250-I336 HydrophobicContact CD1-CD1 4.42Å; L250-I336 HydrophobicContact CD1-CG1 3.97Å
251H97.9Very high96.2Very high30 Ų3068 Ų6814%0.13935%0.352CS..Hα-helixtrans-60.4-43.7175.9179.292.7000112V244 D245 S248 G249 D253 L254 Q255V244-H251 HydrophobicContact CG2-CB 3.88Å; V244-H251 PolarHBondContact O-ND1 3.38Å; D245-H251 WeakPolarHBondContact O-CB 3.48Å; S248-H251 PolarHBondContact O-N 3.06Å; S248-H251 WeakPolarHBondContact OG-CB 3.37Å; S248-H251 PolarHBondContact OG-N 3.23Å; G249-H251 VanDerWaalsContact C-N 3.34Å; G249-H251 PolarHBondContact O-N 3.15Å; H251-D253 VanDerWaalsContact C-N 3.31Å; H251-D253 PolarHBondContact O-N 3.41Å; H251-L254 PolarHBondContact O-N 3.35Å; H251-Q255 PolarHBondContact NE2-NE2 2.78Å; H251-Q255 WeakPolarHBondContact O-CG 3.29Å; H251-Q255 PolarHBondContact O-N 3.19Å
252K97.6Very high95.8Very high131 Ų13177 Ų7757%0.5739%0.391SS*.Hα-helixtrans-62.2-41.1176-64.5176.9-177170.60111.5G249 L250 Q255 E256G249-K252 PolarHBondContact O-N 2.93Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 2.78Å; K252-Q255 PolarHBondContact O-N 2.91Å; K252-E256 PolarHBondContact O-N 2.75Å; K252-E256 VanDerWaalsContact O-N 3.09Å
253D97.9Very high95.5Very high4 Ų475.5 Ų75.52%0.02139%0.387CS..Hα-helixtrans-64.8-40176.2-63-11.1000111.3G249 L250 H251 Q255 E256 L257 R335 I336 F338G249-D253 PolarHBondContact O-N 3.46Å; G249-D253 VanDerWaalsContact O-N 3.17Å; L250-D253 PolarHBondContact O-N 3.46Å; H251-D253 VanDerWaalsContact C-N 3.31Å; H251-D253 PolarHBondContact O-N 3.41Å; D253-Q255 VanDerWaalsContact C-N 3.34Å; D253-Q255 PolarHBondContact O-N 3.42Å; D253-E256 PolarHBondContact O-N 3.1Å; D253-L257 WeakPolarHBondContact O-CB 3.43Å; D253-L257 PolarHBondContact O-N 3.15Å; D253-R335 IonicContact OD1-CZ 2.75Å; D253-R335 IonicContact OD1-NE 3.59Å; D253-R335 PolarHBondContact OD1-NE 3.47Å; D253-R335 IonicContact OD1-NH2 3.58Å; D253-R335 PolarHBondContact OD1-NH2 3.42Å; D253-R335 VanDerWaalsContact OD2-CA 3.28Å; D253-R335 WeakPolarHBondContact OD2-CA 3.23Å; D253-R335 IonicContact OD2-CZ 2.75Å; D253-R335 IonicContact OD2-NE 2.78Å; D253-R335 PolarHBondContact OD2-NE 2.82Å; D253-R335 IonicContact OD2-NH2 3.17Å; D253-I336 HydrophobicContact CB-CB 3.93Å; D253-I336 HydrophobicContact CB-CD1 3.75Å; D253-I336 HydrophobicContact CB-CG1 3.8Å; D253-I336 PolarHBondContact OD2-N 2.99Å; D253-F338 HydrophobicContact CB-CE2 4.1Å; D253-F338 HydrophobicContact CB-CZ 4.05Å; D253-F338 WeakPolarHBondContact O-CZ 3.32Å
254L97.3Very high95.3Very high7 Ų775.2 Ų75.24%0.03739%0.387CS..Hα-helixtrans-64.1-36.3175.6-73.3170.9000112.5V244 L250 H251 L257 T258 I336V244-L254 HydrophobicContact CG1-CD1 4.04Å; V244-L254 HydrophobicContact CG2-CD1 3.89Å; L250-L254 HydrophobicContact CG-CD1 4.38Å; L250-L254 WeakPolarHBondContact O-CG 3.49Å; L250-L254 PolarHBondContact O-N 2.83Å; H251-L254 PolarHBondContact O-N 3.35Å; L254-L257 HydrophobicContact CD2-CD2 4.01Å; L254-L257 WeakPolarHBondContact O-CB 3.48Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-T258 PolarHBondContact O-N 3.04Å; L254-T258 VanDerWaalsContact O-N 3.11Å; L254-T258 PolarHBondContact O-OG1 2.85Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; L254-I336 HydrophobicContact CD2-CD1 4.06Å; L254-I336 HydrophobicContact CG-CD1 4.4Å
255Q96.7Very high95.3Very high109 Ų10977.8 Ų77.851%0.50940%0.4SS..Hα-helixtrans-64.8-39.2172.8-69.5-177.7-16.500112.5H251 K252 D253 L257 N259H251-Q255 PolarHBondContact NE2-NE2 2.78Å; H251-Q255 WeakPolarHBondContact O-CG 3.29Å; H251-Q255 PolarHBondContact O-N 3.19Å; K252-Q255 PolarHBondContact O-N 2.91Å; D253-Q255 VanDerWaalsContact C-N 3.34Å; D253-Q255 PolarHBondContact O-N 3.42Å; Q255-L257 VanDerWaalsContact C-N 3.33Å; Q255-N259 PolarHBondContact O-ND2 2.97Å
256E96.2Very high95.3Very high114 Ų11473.6 Ų73.653%0.53338%0.378SS..Hα-helixtrans-65.9-39.9173.7-176.117217700110.8K252 D253 T258 N259 H260 F338K252-E256 PolarHBondContact O-N 2.75Å; K252-E256 VanDerWaalsContact O-N 3.09Å; D253-E256 PolarHBondContact O-N 3.1Å; E256-T258 VanDerWaalsContact C-N 3.32Å; E256-T258 PolarHBondContact O-N 3.23Å; E256-N259 PolarHBondContact O-N 3.1Å; E256-N259 VanDerWaalsContact O-N 3.14Å; E256-H260 PolarHBondContact O-N 3.2Å; E256-F338 HydrophobicContact CB-CE1 4.45Å; E256-F338 HydrophobicContact CB-CZ 4Å; E256-F338 HydrophobicContact CG-CE1 4.2Å; E256-F338 HydrophobicContact CG-CZ 4.03Å
257L94.8Very high95.3Very high1 Ų166.6 Ų66.61%0.00535%0.345CS..Hα-helixtrans-59.6-38178.1-165.372.4000112.6D253 L254 Q255 N259 H260 L263 E264 P289 I336 F338D253-L257 WeakPolarHBondContact O-CB 3.43Å; D253-L257 PolarHBondContact O-N 3.15Å; L254-L257 HydrophobicContact CD2-CD2 4.01Å; L254-L257 WeakPolarHBondContact O-CB 3.48Å; L254-L257 PolarHBondContact O-N 3.26Å; Q255-L257 VanDerWaalsContact C-N 3.33Å; L257-N259 PolarHBondContact O-N 3.03Å; L257-N259 VanDerWaalsContact O-N 3.09Å; L257-H260 VanDerWaalsContact O-CB 3.28Å; L257-H260 WeakPolarHBondContact O-CB 3.46Å; L257-H260 PolarHBondContact O-N 3.34Å; L257-L263 HydrophobicContact CD1-CB 3.61Å; L257-L263 HydrophobicContact CD1-CD1 3.72Å; L257-L263 HydrophobicContact CD1-CG 4.32Å; L257-E264 WeakPolarHBondContact CD2-O 3.46Å; L257-E264 WeakPolarHBondContact CG-O 3.1Å; L257-P289 HydrophobicContact CD1-CG 4.33Å; L257-P289 HydrophobicContact CD2-CG 4.2Å; L257-I336 HydrophobicContact CB-CD1 4.36Å; L257-I336 HydrophobicContact CD1-CD1 4.47Å; L257-I336 HydrophobicContact CD2-CD1 3.97Å; L257-F338 HydrophobicContact CB-CE1 4.38Å; L257-F338 HydrophobicContact CD1-CE1 3.96Å
258T93.8Very high95.4Very high83 Ų8359.2 Ų59.251%0.50931%0.306SS..THydrogen-bonded Turntrans-56.3-28.2177.1-47.50000113.3L254 E256 D265L254-T258 PolarHBondContact O-N 3.04Å; L254-T258 VanDerWaalsContact O-N 3.11Å; L254-T258 PolarHBondContact O-OG1 2.85Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; E256-T258 VanDerWaalsContact C-N 3.32Å; E256-T258 PolarHBondContact O-N 3.23Å; T258-D265 HydrophobicContact CG2-CB 4.39Å
259N91.5Very high95.4Very high140 Ų14058.6 Ų58.675%0.74930%0.302SS*.THydrogen-bonded Turntrans-101.94.2179.8-61.7-69.8000112.8Q255 E256 L257Q255-N259 PolarHBondContact O-ND2 2.97Å; E256-N259 PolarHBondContact O-N 3.1Å; E256-N259 VanDerWaalsContact O-N 3.14Å; L257-N259 PolarHBondContact O-N 3.03Å; L257-N259 VanDerWaalsContact O-N 3.09Å
260H92.4Very high95.5Very high56 Ų5658 Ų5826%0.25929%0.29SS..  trans-78.9128.5-174.2-165.8-89.3000111.1E256 L257 K262 L263E256-H260 PolarHBondContact O-N 3.2Å; L257-H260 VanDerWaalsContact O-CB 3.28Å; L257-H260 WeakPolarHBondContact O-CB 3.46Å; L257-H260 PolarHBondContact O-N 3.34Å; H260-K262 VanDerWaalsContact C-N 3.27Å; H260-K262 PolarHBondContact ND1-N 2.94Å; H260-K262 PolarHBondContact O-N 3.4Å; H260-K262 VanDerWaalsContact O-N 3.17Å; H260-L263 HydrophobicContact CB-CB 4.37Å; H260-L263 WeakPolarHBondContact ND1-CG 3.41Å; H260-L263 PolarHBondContact ND1-N 3.07Å
261P90.6Very high95.5Very high120 Ų12057.9 Ų57.978%0.77929%0.29SS*.SBendtrans-74.4-10.8-168.228.3-36.5000115.2
262K89.4Confident95.4Very high189 Ų18958 Ų5882%0.82229%0.291SS*.SBendtrans-126.6-16.5-173.5-66.8-175.1-180-179.80114.7H260H260-K262 VanDerWaalsContact C-N 3.27Å; H260-K262 PolarHBondContact ND1-N 2.94Å; H260-K262 PolarHBondContact O-N 3.4Å; H260-K262 VanDerWaalsContact O-N 3.17Å
263L91.9Very high95.3Very high39 Ų3952.4 Ų52.420%0.20427%0.267CS..SBendtrans-107.1150.9-174.8-65.7173.9000108.1L257 H260 F338L257-L263 HydrophobicContact CD1-CB 3.61Å; L257-L263 HydrophobicContact CD1-CD1 3.72Å; L257-L263 HydrophobicContact CD1-CG 4.32Å; H260-L263 HydrophobicContact CB-CB 4.37Å; H260-L263 WeakPolarHBondContact ND1-CG 3.41Å; H260-L263 PolarHBondContact ND1-N 3.07Å; L263-F338 HydrophobicContact CD1-CD1 4.27Å
264E94.3Very high95.1Very high100 Ų10058.3 Ų58.347%0.46729%0.293SS..  trans-64.1146.6171.7-62.4-71.4170.800109.9L257 H266 Y288L257-E264 WeakPolarHBondContact CD2-O 3.46Å; L257-E264 WeakPolarHBondContact CG-O 3.1Å; E264-H266 PolarHBondContact O-N 2.98Å; E264-H266 IonicContact OE2-CE1 3.5Å; E264-H266 PolarHBondContact OE2-CE1 3.08Å; E264-Y288 HydrophobicContact CB-CD2 3.92Å; E264-Y288 HydrophobicContact CB-CE2 3.39Å; E264-Y288 HydrophobicContact CG-CD2 4.08Å; E264-Y288 HydrophobicContact CG-CE1 4.46Å; E264-Y288 HydrophobicContact CG-CE2 3.51Å
265D95.5Very high94.7Very high69 Ų6963.5 Ų63.537%0.36932%0.316SS..SBendtrans-7614-175.964.2-8.2000114.9T258T258-D265 HydrophobicContact CG2-CB 4.39Å
266H97.3Very high94.4Very high2 Ų261.3 Ų61.31%0.00931%0.31CS..SBendtrans-149161.7-172.455-86.4000112.6K240 L241 Y242 E264 Y288K240-H266 HydrophobicContact CB-CB 4.39Å; K240-H266 WeakPolarHBondContact CB-CD2 3.4Å; K240-H266 WeakPolarHBondContact CD-NE2 3.39Å; K240-H266 VanDerWaalsContact CG-CD2 3.45Å; K240-H266 WeakPolarHBondContact CG-CD2 3.49Å; K240-H266 WeakPolarHBondContact CG-NE2 2.97Å; L241-H266 WeakPolarHBondContact O-CB 3.31Å; Y242-H266 HydrophobicContact CD1-CB 3.57Å; Y242-H266 HydrophobicContact CE1-CB 3.58Å; Y242-H266 AromaticContact CE1-CG 3.83Å; Y242-H266 AromaticContact CE1-ND1 3.75Å; Y242-H266 HydrophobicContact CG-CB 4.23Å; E264-H266 PolarHBondContact O-N 2.98Å; E264-H266 IonicContact OE2-CE1 3.5Å; E264-H266 PolarHBondContact OE2-CE1 3.08Å; H266-Y288 AromaticContact CD2-CE2 3.78Å; H266-Y288 AromaticContact NE2-CE2 3.58Å; H266-Y288 AromaticContact NE2-CZ 3.65Å; H266-Y288 PolarHBondContact NE2-OH 2.99Å
267L97.4Very high94.3Very high2 Ų256 Ų561%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-81.8116167.8-176.175.2000109.4L241 L269 I286 Y288 I291 L329L241-L267 HydrophobicContact CB-CB 4.25Å; L241-L267 HydrophobicContact CD2-CD2 4.05Å; L241-L267 PolarHBondContact N-O 3.32Å; L241-L267 PolarHBondContact O-N 3.49Å; L267-L269 HydrophobicContact CD2-CD2 4.01Å; L267-L269 HydrophobicContact CG-CD2 4.24Å; L267-I286 HydrophobicContact CD1-CD1 4.4Å; L267-I286 HydrophobicContact CD1-CG2 3.68Å; L267-I286 HydrophobicContact CG-CG2 4.42Å; L267-Y288 WeakPolarHBondContact CD1-O 3.46Å; L267-I291 HydrophobicContact CD1-CD1 3.9Å; L267-I291 HydrophobicContact CD1-CG1 3.81Å; L267-L329 HydrophobicContact CD2-CD1 3.51Å
268G97.9Very high94.3Very high0 Ų056.6 Ų56.60%029%0.29CS..EExtended strand (participates in β ladder)trans-84.2123.1173.900000111.2L287 Y288G268-L287 WeakPolarHBondContact O-CB 3.37Å; G268-L287 PolarHBondContact O-N 3.24Å; G268-Y288 PolarHBondContact N-O 3.48Å
269L98.4Very high94.2Very high0 Ų060 Ų600%030%0.298CS..EExtended strand (participates in β ladder)trans-113.2148.5171.8-54.8172.5000109.4K238 V239 L267 F271 R285 I286 I302 I325K238-L269 CarbonylContact C-O 3.53Å; K238-L269 WeakPolarHBondContact CA-O 3.41Å; V239-L269 HydrophobicContact CB-CB 4.21Å; V239-L269 PolarHBondContact N-O 3.36Å; V239-L269 PolarHBondContact O-N 3.3Å; L267-L269 HydrophobicContact CD2-CD2 4.01Å; L267-L269 HydrophobicContact CG-CD2 4.24Å; L269-F271 HydrophobicContact CB-CE2 4.25Å; L269-F271 HydrophobicContact CD1-CE2 4.47Å; L269-R285 CarbonylContact C-O 3.56Å; L269-R285 WeakPolarHBondContact CA-O 3.29Å; L269-I286 HydrophobicContact CD2-CB 4.42Å; L269-I286 HydrophobicContact CD2-CG1 3.78Å; L269-I302 HydrophobicContact CD2-CD1 4.38Å; L269-I325 HydrophobicContact CD1-CD1 4.48Å; L269-I325 HydrophobicContact CD1-CG2 4.09Å
270Q98.1Very high94.2Very high19 Ų1955.5 Ų55.59%0.08927%0.272CS..EExtended strand (participates in β ladder)trans-117.8128.9171.3-171.5179.636.600109.9N236 W237 L272 V284 R285 L287N236-Q270 PolarHBondContact ND2-NE2 2.72Å; N236-Q270 PolarHBondContact OD1-NE2 3.13Å; W237-Q270 CarbonylContact O-C 3.59Å; W237-Q270 WeakPolarHBondContact O-CA 3.36Å; Q270-L272 HydrophobicContact CG-CD2 4.21Å; Q270-L272 HydrophobicContact CG-CG 4.06Å; Q270-V284 WeakPolarHBondContact O-CA 3.2Å; Q270-R285 HydrophobicContact CB-CG 4.05Å; Q270-R285 PolarHBondContact N-O 2.88Å; Q270-R285 PolarHBondContact O-N 3.45Å; Q270-L287 HydrophobicContact CB-CD1 4.07Å; Q270-L287 HydrophobicContact CB-CD2 4.15Å; Q270-L287 HydrophobicContact CB-CG 4Å
271F98.1Very high94.3Very high0 Ų053.7 Ų53.70%027%0.265CS..EExtended strand (participates in β ladder)trans-108.2118.2169.4-74.1-116.3000108.4N236 W237 V239 L269 F273 P282 V284 F307 I318 I322 I325N236-F271 WeakPolarHBondContact CA-O 3.28Å; W237-F271 HydrophobicContact CB-CB 4.26Å; W237-F271 PolarHBondContact N-O 3.48Å; W237-F271 PolarHBondContact O-N 3.32Å; V239-F271 HydrophobicContact CB-CD2 4.44Å; V239-F271 HydrophobicContact CB-CE2 4.3Å; V239-F271 HydrophobicContact CG2-CD2 3.72Å; V239-F271 HydrophobicContact CG2-CE2 3.83Å; L269-F271 HydrophobicContact CB-CE2 4.25Å; L269-F271 HydrophobicContact CD1-CE2 4.47Å; F271-F273 HydrophobicContact CB-CE2 3.69Å; F271-F273 HydrophobicContact CB-CZ 3.86Å; F271-F273 HydrophobicContact CD1-CZ 4.18Å; F271-F273 HydrophobicContact CG-CZ 4.46Å; F271-P282 HydrophobicContact CD1-CB 4.08Å; F271-P282 HydrophobicContact CD1-CG 3.98Å; F271-P282 HydrophobicContact CE1-CG 4.43Å; F271-V284 HydrophobicContact CD1-CG2 3.57Å; F271-V284 HydrophobicContact CD2-CG1 4.08Å; F271-V284 HydrophobicContact CD2-CG2 4.46Å; F271-V284 HydrophobicContact CE1-CG1 4.32Å; F271-V284 HydrophobicContact CE1-CG2 3.57Å; F271-V284 HydrophobicContact CE2-CG1 3.79Å; F271-V284 HydrophobicContact CE2-CG2 4.45Å; F271-V284 HydrophobicContact CG-CG1 4.46Å; F271-V284 HydrophobicContact CG-CG2 4.03Å; F271-V284 HydrophobicContact CZ-CG1 3.93Å; F271-V284 HydrophobicContact CZ-CG2 4.03Å; F271-F307 HydrophobicContact CE1-CE1 4.48Å; F271-I318 HydrophobicContact CD1-CG2 4.37Å; F271-I318 HydrophobicContact CE1-CG2 4.24Å; F271-I322 HydrophobicContact CE1-CG1 4.41Å; F271-I322 HydrophobicContact CE2-CG1 4.02Å; F271-I322 HydrophobicContact CZ-CG1 3.64Å; F271-I325 HydrophobicContact CE1-CD1 4.4Å; F271-I325 HydrophobicContact CE2-CD1 4.18Å; F271-I325 HydrophobicContact CZ-CD1 3.54Å
272L97Very high94.6Very high34 Ų3448 Ų4818%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-108.6114.5175.1-68.8177000109.3N236 Q270 P282 F283 L347N236-L272 HydrophobicContact CB-CD2 3.89Å; N236-L272 VanDerWaalsContact CG-CD2 3.48Å; N236-L272 WeakPolarHBondContact OD1-CD2 3.45Å; Q270-L272 HydrophobicContact CG-CD2 4.21Å; Q270-L272 HydrophobicContact CG-CG 4.06Å; L272-P282 CarbonylContact O-C 3.6Å; L272-P282 WeakPolarHBondContact O-CA 3.49Å; L272-F283 HydrophobicContact CB-CB 4.31Å; L272-F283 HydrophobicContact CB-CD1 4.42Å; L272-F283 HydrophobicContact CD1-CD1 4.04Å; L272-F283 PolarHBondContact N-O 3.31Å; L272-F283 PolarHBondContact O-N 3.5Å; L272-L347 HydrophobicContact CD1-CD1 3.52Å; L272-L347 HydrophobicContact CD1-CD2 4.2Å
273F95.8Very high94.9Very high13 Ų1340.4 Ų40.46%0.05720%0.195CC..  trans-95.6143.4178.4-56.5-88.2000109.8L207 Y235 W237 F271 Y277 P282 I318L207-F273 HydrophobicContact CD1-CB 4.19Å; L207-F273 HydrophobicContact CD1-CG 4.39Å; L207-F273 HydrophobicContact CD2-CB 4.21Å; L207-F273 HydrophobicContact CD2-CD1 3.48Å; L207-F273 VanDerWaalsContact CD2-CD1 3.48Å; L207-F273 HydrophobicContact CD2-CD2 3.83Å; L207-F273 HydrophobicContact CD2-CE1 3.65Å; L207-F273 HydrophobicContact CD2-CE2 4.01Å; L207-F273 HydrophobicContact CD2-CG 3.56Å; L207-F273 HydrophobicContact CD2-CZ 3.91Å; Y235-F273 HydrophobicContact CD1-CB 3.8Å; Y235-F273 PolarHBondContact O-N 2.95Å; W237-F273 HydrophobicContact CB-CE2 4.33Å; W237-F273 AromaticContact CD1-CE2 3.84Å; W237-F273 AromaticContact CD2-CE2 3.57Å; W237-F273 HydrophobicContact CD2-CE2 3.57Å; W237-F273 HydrophobicContact CD2-CZ 4.07Å; W237-F273 AromaticContact CE2-CE2 3.72Å; W237-F273 HydrophobicContact CE3-CE2 4.06Å; W237-F273 HydrophobicContact CE3-CZ 4.1Å; W237-F273 HydrophobicContact CG-CD2 4.49Å; W237-F273 AromaticContact CG-CE2 3.68Å; W237-F273 HydrophobicContact CG-CE2 3.68Å; W237-F273 HydrophobicContact CZ2-CE2 4.35Å; W237-F273 HydrophobicContact CZ3-CZ 4.35Å; W237-F273 AromaticContact NE1-CE2 3.82Å; F271-F273 HydrophobicContact CB-CE2 3.69Å; F271-F273 HydrophobicContact CB-CZ 3.86Å; F271-F273 HydrophobicContact CD1-CZ 4.18Å; F271-F273 HydrophobicContact CG-CZ 4.46Å; F273-Y277 HydrophobicContact CD1-CD1 4.21Å; F273-Y277 AromaticContact CD1-CD2 3.68Å; F273-Y277 HydrophobicContact CD1-CD2 3.68Å; F273-Y277 HydrophobicContact CD1-CE1 4.41Å; F273-Y277 AromaticContact CD1-CE2 3.95Å; F273-Y277 HydrophobicContact CD1-CE2 3.95Å; F273-Y277 AromaticContact CD1-CG 3.85Å; F273-Y277 HydrophobicContact CD1-CG 3.85Å; F273-Y277 HydrophobicContact CE1-CD2 4.16Å; F273-Y277 HydrophobicContact CE1-CE1 4.5Å; F273-Y277 AromaticContact CE1-CE2 3.94Å; F273-Y277 HydrophobicContact CE1-CE2 3.94Å; F273-P282 HydrophobicContact CD1-CB 3.7Å; F273-P282 HydrophobicContact CD1-CG 4.44Å; F273-P282 HydrophobicContact CE1-CB 3.62Å; F273-P282 HydrophobicContact CE1-CG 4.02Å; F273-P282 HydrophobicContact CG-CB 4.41Å; F273-P282 HydrophobicContact CZ-CB 4.25Å; F273-I318 HydrophobicContact CE1-CD1 3.7Å; F273-I318 HydrophobicContact CE1-CG1 4.22Å; F273-I318 HydrophobicContact CZ-CD1 4.08Å; F273-I318 HydrophobicContact CZ-CG1 4.29Å
274K93.1Very high95.2Very high128 Ų12838.9 Ų38.956%0.55719%0.188SC*.  trans-97.7165.3167.6-66.6-177.2-173.5172.60109.9S203 T276 Y277 E280S203-K274 PolarHBondContact OG-O 2.66Å; K274-T276 WeakPolarHBondContact CB-OG1 3.3Å; K274-T276 PolarHBondContact O-N 3.02Å; K274-T276 VanDerWaalsContact O-N 3.08Å; K274-Y277 VanDerWaalsContact O-CB 3.27Å; K274-Y277 WeakPolarHBondContact O-CB 3.45Å; K274-Y277 PolarHBondContact O-N 3.46Å; K274-E280 IonicContact NZ-OE2 2.64Å; K274-E280 PolarHBondContact NZ-OE2 2.94Å
275E88.1Confident95.3Very high115 Ų11535.2 Ų35.254%0.53717%0.17SC..THydrogen-bonded Turntrans-61.6-16173.7-50.7-174.2166.200113.2S203 Y277S203-E275 WeakPolarHBondContact CB-O 3.5Å; E275-Y277 VanDerWaalsContact C-N 3.34Å
276T91.7Very high95.4Very high63 Ų6332 Ų3239%0.38715%0.152SC..THydrogen-bonded Turntrans-81.6-6.5174.5490000113.8K274 F279 E280K274-T276 WeakPolarHBondContact CB-OG1 3.3Å; K274-T276 PolarHBondContact O-N 3.02Å; K274-T276 VanDerWaalsContact O-N 3.08Å; T276-F279 WeakPolarHBondContact O-CA 3.49Å; T276-F279 WeakPolarHBondContact O-CB 3.38Å; T276-F279 WeakPolarHBondContact O-CD2 3.48Å; T276-F279 PolarHBondContact O-N 3.49Å; T276-E280 PolarHBondContact O-N 2.85Å; T276-E280 PolarHBondContact OG1-OE2 3.15Å; T276-E280 VanDerWaalsContact OG1-OE2 3.07Å
277Y93.8Very high95.3Very high3 Ų333.8 Ų33.81%0.01216%0.162CC..THydrogen-bonded Turntrans-64.9136.1174.6-179.2-95000110.4S203 R206 L207 E210 F273 K274 E275 W312 I318S203-Y277 VanDerWaalsContact CA-O 3.3Å; S203-Y277 WeakPolarHBondContact CA-O 3.19Å; S203-Y277 WeakPolarHBondContact CB-O 3.37Å; S203-Y277 PolarHBondContact OG-O 3.42Å; R206-Y277 HydrophobicContact CB-CE1 4.33Å; R206-Y277 HydrophobicContact CG-CD1 4.23Å; R206-Y277 HydrophobicContact CG-CE1 3.61Å; L207-Y277 HydrophobicContact CD1-CD1 4.44Å; L207-Y277 HydrophobicContact CD2-CD1 3.67Å; L207-Y277 HydrophobicContact CD2-CE1 3.61Å; L207-Y277 HydrophobicContact CD2-CG 4.45Å; L207-Y277 HydrophobicContact CG-CD1 3.78Å; L207-Y277 HydrophobicContact CG-CE1 3.99Å; E210-Y277 HydrophobicContact CG-CE1 4.45Å; E210-Y277 WeakPolarHBondContact CG-OH 3.38Å; F273-Y277 HydrophobicContact CD1-CD1 4.21Å; F273-Y277 AromaticContact CD1-CD2 3.68Å; F273-Y277 HydrophobicContact CD1-CD2 3.68Å; F273-Y277 HydrophobicContact CD1-CE1 4.41Å; F273-Y277 AromaticContact CD1-CE2 3.95Å; F273-Y277 HydrophobicContact CD1-CE2 3.95Å; F273-Y277 AromaticContact CD1-CG 3.85Å; F273-Y277 HydrophobicContact CD1-CG 3.85Å; F273-Y277 HydrophobicContact CE1-CD2 4.16Å; F273-Y277 HydrophobicContact CE1-CE1 4.5Å; F273-Y277 AromaticContact CE1-CE2 3.94Å; F273-Y277 HydrophobicContact CE1-CE2 3.94Å; K274-Y277 VanDerWaalsContact O-CB 3.27Å; K274-Y277 WeakPolarHBondContact O-CB 3.45Å; K274-Y277 PolarHBondContact O-N 3.46Å; E275-Y277 VanDerWaalsContact C-N 3.34Å; Y277-W312 HydrophobicContact CD2-CZ2 4.33Å; Y277-W312 HydrophobicContact CE2-CH2 4.06Å; Y277-W312 AromaticContact CE2-CZ2 3.6Å; Y277-W312 HydrophobicContact CE2-CZ2 3.6Å; Y277-I318 HydrophobicContact CE2-CD1 4.12Å; Y277-I318 WeakPolarHBondContact OH-CD1 3.44Å; Y277-I318 WeakPolarHBondContact OH-CG1 3.4Å
278P94.1Very high95.2Very high14 Ų1435.5 Ų35.59%0.09117%0.168CC..THydrogen-bonded Turncis-93.910.312.438.4-38.3000115.7R206 W312 S314R206-P278 HydrophobicContact CG-CB 4.08Å; R206-P278 HydrophobicContact CG-CG 3.95Å; P278-W312 PolarHBondContact O-NE1 3.34Å; P278-S314 WeakPolarHBondContact O-CA 3.1Å; P278-S314 WeakPolarHBondContact O-CB 3.29Å
279F91.5Very high95.1Very high155 Ų15535.7 Ų35.768%0.6817%0.169SC*.THydrogen-bonded Turntrans-74.4-32.9-178.6-53.7-70.8000112.8T276T276-F279 WeakPolarHBondContact O-CA 3.49Å; T276-F279 WeakPolarHBondContact O-CB 3.38Å; T276-F279 WeakPolarHBondContact O-CD2 3.48Å; T276-F279 PolarHBondContact O-N 3.49Å
280E91.9Very high94.9Very high45 Ų4536.2 Ų36.221%0.2117%0.173CC..SBendtrans-105.9146.9166.8-66.8-166.5145.100110.7K274 T276 K309K274-E280 IonicContact NZ-OE2 2.64Å; K274-E280 PolarHBondContact NZ-OE2 2.94Å; T276-E280 PolarHBondContact O-N 2.85Å; T276-E280 PolarHBondContact OG1-OE2 3.15Å; T276-E280 VanDerWaalsContact OG1-OE2 3.07Å; E280-K309 WeakPolarHBondContact OE1-CE 3.39Å; E280-K309 IonicContact OE1-NZ 3.76Å; E280-K309 PolarHBondContact OE1-NZ 3.3Å
281P95.1Very high94.7Very high17 Ų1735.7 Ų35.711%0.1117%0.17CC..PPolyproline II helixtrans-64.9156.3178.223.5-31.1000112.3F307 W312P281-F307 WeakPolarHBondContact CG-O 3.4Å; P281-W312 HydrophobicContact CB-CB 3.78Å; P281-W312 HydrophobicContact CB-CD2 3.57Å; P281-W312 HydrophobicContact CB-CE3 3.86Å; P281-W312 HydrophobicContact CB-CG 3.52Å; P281-W312 HydrophobicContact CG-CB 3.87Å; P281-W312 HydrophobicContact CG-CG 3.98Å
282P96.4Very high94.4Very high1 Ų138.3 Ų38.31%0.00618%0.183CC..PPolyproline II helixtrans-62.8145.9162.527.7-32.1000110.4F271 L272 F273 V284 F307 I318F271-P282 HydrophobicContact CD1-CB 4.08Å; F271-P282 HydrophobicContact CD1-CG 3.98Å; F271-P282 HydrophobicContact CE1-CG 4.43Å; L272-P282 CarbonylContact O-C 3.6Å; L272-P282 WeakPolarHBondContact O-CA 3.49Å; F273-P282 HydrophobicContact CD1-CB 3.7Å; F273-P282 HydrophobicContact CD1-CG 4.44Å; F273-P282 HydrophobicContact CE1-CB 3.62Å; F273-P282 HydrophobicContact CE1-CG 4.02Å; F273-P282 HydrophobicContact CG-CB 4.41Å; F273-P282 HydrophobicContact CZ-CB 4.25Å; P282-V284 HydrophobicContact CB-CG2 4.24Å; P282-V284 HydrophobicContact CG-CG2 4.1Å; P282-F307 HydrophobicContact CG-CD1 4.19Å; P282-F307 HydrophobicContact CG-CE1 4.19Å; P282-I318 HydrophobicContact CG-CD1 4.27Å
283F95.8Very high94.1Very high29 Ų2940.2 Ų40.213%0.12719%0.193CC..EExtended strand (participates in β ladder)trans-80.7119.8164174.5-99.1000108.9L272 R285 L347 A350 Q351 Y354L272-F283 HydrophobicContact CB-CB 4.31Å; L272-F283 HydrophobicContact CB-CD1 4.42Å; L272-F283 HydrophobicContact CD1-CD1 4.04Å; L272-F283 PolarHBondContact N-O 3.31Å; L272-F283 PolarHBondContact O-N 3.5Å; F283-R285 HydrophobicContact CE1-CB 4.18Å; F283-R285 HydrophobicContact CE1-CG 4.17Å; F283-R285 HydrophobicContact CZ-CB 4.39Å; F283-L347 HydrophobicContact CD1-CD1 4.21Å; F283-L347 HydrophobicContact CE1-CD1 3.65Å; F283-A350 HydrophobicContact CE1-CB 4.36Å; F283-A350 HydrophobicContact CZ-CB 3.76Å; F283-Q351 HydrophobicContact CE1-CG 3.91Å; F283-Q351 HydrophobicContact CE2-CG 4.13Å; F283-Q351 HydrophobicContact CZ-CB 4.39Å; F283-Q351 HydrophobicContact CZ-CG 3.69Å; F283-Y354 HydrophobicContact CD2-CD1 4.12Å; F283-Y354 HydrophobicContact CD2-CG 4.07Å; F283-Y354 HydrophobicContact CE2-CD1 4.19Å; F283-Y354 HydrophobicContact CE2-CD2 4.46Å; F283-Y354 AromaticContact CE2-CG 3.85Å; F283-Y354 HydrophobicContact CE2-CG 3.85Å
284V97.1Very high93.9Very high7 Ų739.6 Ų39.64%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-114.1135.5-176.5-170.60000111.1Q270 F271 P282 I302 F307 I325Q270-V284 WeakPolarHBondContact O-CA 3.2Å; F271-V284 HydrophobicContact CD1-CG2 3.57Å; F271-V284 HydrophobicContact CD2-CG1 4.08Å; F271-V284 HydrophobicContact CD2-CG2 4.46Å; F271-V284 HydrophobicContact CE1-CG1 4.32Å; F271-V284 HydrophobicContact CE1-CG2 3.57Å; F271-V284 HydrophobicContact CE2-CG1 3.79Å; F271-V284 HydrophobicContact CE2-CG2 4.45Å; F271-V284 HydrophobicContact CG-CG1 4.46Å; F271-V284 HydrophobicContact CG-CG2 4.03Å; F271-V284 HydrophobicContact CZ-CG1 3.93Å; F271-V284 HydrophobicContact CZ-CG2 4.03Å; P282-V284 HydrophobicContact CB-CG2 4.24Å; P282-V284 HydrophobicContact CG-CG2 4.1Å; V284-I302 HydrophobicContact CG1-CD1 4.05Å; V284-F307 HydrophobicContact CB-CD2 4.35Å; V284-F307 HydrophobicContact CB-CE2 4.36Å; V284-F307 HydrophobicContact CG2-CD1 3.78Å; V284-F307 HydrophobicContact CG2-CD2 4.28Å; V284-F307 HydrophobicContact CG2-CE1 3.66Å; V284-F307 HydrophobicContact CG2-CE2 4.18Å; V284-F307 HydrophobicContact CG2-CG 4.11Å; V284-F307 HydrophobicContact CG2-CZ 3.88Å; V284-I325 HydrophobicContact CG1-CD1 3.79Å
285R96.7Very high93.8Very high24 Ų2437.9 Ų37.99%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-146159.7174.267.8172.6-173.199.8-0.7112.7L269 Q270 F283 L287 G300 A350L269-R285 CarbonylContact C-O 3.56Å; L269-R285 WeakPolarHBondContact CA-O 3.29Å; Q270-R285 HydrophobicContact CB-CG 4.05Å; Q270-R285 PolarHBondContact N-O 2.88Å; Q270-R285 PolarHBondContact O-N 3.45Å; F283-R285 HydrophobicContact CE1-CB 4.18Å; F283-R285 HydrophobicContact CE1-CG 4.17Å; F283-R285 HydrophobicContact CZ-CB 4.39Å; R285-L287 VanDerWaalsContact CZ-CD2 3.41Å; R285-G300 CarbonylContact C-O 3.56Å; R285-G300 VanDerWaalsContact CA-O 3.24Å; R285-G300 WeakPolarHBondContact CA-O 3.28Å; R285-G300 WeakPolarHBondContact CB-O 3.38Å; R285-A350 HydrophobicContact CB-CB 4.03Å
286I97.3Very high94Very high0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-80.7135.8167.8-51.2-168.6000109.3L267 L269 I291 V296 G300 I302 L329 Y345L267-I286 HydrophobicContact CD1-CD1 4.4Å; L267-I286 HydrophobicContact CD1-CG2 3.68Å; L267-I286 HydrophobicContact CG-CG2 4.42Å; L269-I286 HydrophobicContact CD2-CB 4.42Å; L269-I286 HydrophobicContact CD2-CG1 3.78Å; I286-I291 HydrophobicContact CD1-CB 4.31Å; I286-I291 HydrophobicContact CD1-CG1 3.93Å; I286-V296 HydrophobicContact CD1-CB 4.33Å; I286-V296 HydrophobicContact CD1-CG1 3.84Å; I286-V296 HydrophobicContact CD1-CG2 3.47Å; I286-V296 VanDerWaalsContact CD1-CG2 3.47Å; I286-V296 HydrophobicContact CG1-CG1 4.43Å; I286-G300 PolarHBondContact N-O 3.38Å; I286-I302 HydrophobicContact CG1-CD1 4.08Å; I286-I302 HydrophobicContact CG1-CG1 4.12Å; I286-L329 HydrophobicContact CD1-CD2 4.18Å; I286-Y345 HydrophobicContact CB-CD2 4.33Å; I286-Y345 HydrophobicContact CB-CE2 3.9Å; I286-Y345 HydrophobicContact CG2-CD2 4.16Å; I286-Y345 HydrophobicContact CG2-CE2 3.68Å
287L96.2Very high93.9Very high40 Ų4031 Ų3121%0.20915%0.147CC..EExtended strand (participates in β ladder)trans-92.2-50.2173.4-70.1166.9000110.8K238 G268 Q270 R285K238-L287 HydrophobicContact CD-CD1 4.15Å; K238-L287 HydrophobicContact CG-CD1 3.85Å; G268-L287 WeakPolarHBondContact O-CB 3.37Å; G268-L287 PolarHBondContact O-N 3.24Å; Q270-L287 HydrophobicContact CB-CD1 4.07Å; Q270-L287 HydrophobicContact CB-CD2 4.15Å; Q270-L287 HydrophobicContact CB-CG 4Å; R285-L287 VanDerWaalsContact CZ-CD2 3.41Å
288Y95.7Very high93.4Very high38 Ų3831.4 Ų31.415%0.14915%0.151CC..EExtended strand (participates in β ladder)trans-169.2163.1-178.154-103.5000109.9K238 E264 H266 L267 G268K238-Y288 WeakPolarHBondContact CE-OH 3.42Å; K238-Y288 PolarHBondContact NZ-OH 2.87Å; E264-Y288 HydrophobicContact CB-CD2 3.92Å; E264-Y288 HydrophobicContact CB-CE2 3.39Å; E264-Y288 HydrophobicContact CG-CD2 4.08Å; E264-Y288 HydrophobicContact CG-CE1 4.46Å; E264-Y288 HydrophobicContact CG-CE2 3.51Å; H266-Y288 AromaticContact CD2-CE2 3.78Å; H266-Y288 AromaticContact NE2-CE2 3.58Å; H266-Y288 AromaticContact NE2-CZ 3.65Å; H266-Y288 PolarHBondContact NE2-OH 2.99Å; L267-Y288 WeakPolarHBondContact CD1-O 3.46Å; G268-Y288 PolarHBondContact N-O 3.48Å
289P95.2Very high93.1Very high4 Ų430.8 Ų30.83%0.02615%0.147CC..SBendcis-69.5177.9-1931.8-35.6000110.9L257 I291 I336L257-P289 HydrophobicContact CD1-CG 4.33Å; L257-P289 HydrophobicContact CD2-CG 4.2Å; P289-I291 PolarHBondContact O-N 3.3Å; P289-I336 HydrophobicContact CB-CG2 3.87Å; P289-I336 HydrophobicContact CG-CB 4.36Å; P289-I336 HydrophobicContact CG-CD1 3.87Å; P289-I336 HydrophobicContact CG-CG1 3.94Å; P289-I336 HydrophobicContact CG-CG2 3.57Å
290V93.9Very high93.2Very high11 Ų1123.4 Ų23.47%0.06711%0.114CC..  trans-68.1129.2173.51780000109.8N337 A340 Q344 Y345V290-N337 HydrophobicContact CG1-CB 4.44Å; V290-N337 PolarHBondContact O-N 2.78Å; V290-A340 HydrophobicContact CB-CB 3.52Å; V290-A340 HydrophobicContact CG1-CB 3.92Å; V290-A340 HydrophobicContact CG2-CB 3.66Å; V290-Q344 HydrophobicContact CG2-CB 4.13Å; V290-Y345 HydrophobicContact CB-CE2 4.38Å; V290-Y345 HydrophobicContact CG1-CE1 4.15Å; V290-Y345 HydrophobicContact CG2-CD1 4.48Å; V290-Y345 HydrophobicContact CG2-CD2 4.39Å; V290-Y345 HydrophobicContact CG2-CE1 4.35Å; V290-Y345 HydrophobicContact CG2-CE2 4.27Å
291I94.4Very high93.2Very high8 Ų821.3 Ų21.34%0.04111%0.105CC..EExtended strand (participates in β ladder)trans-107.7133.7179.2-60.5-60.2000109.9L250 L267 I286 P289 V296 A334 R335 I336 Y345L250-I291 HydrophobicContact CD1-CD1 4.22Å; L267-I291 HydrophobicContact CD1-CD1 3.9Å; L267-I291 HydrophobicContact CD1-CG1 3.81Å; I286-I291 HydrophobicContact CD1-CB 4.31Å; I286-I291 HydrophobicContact CD1-CG1 3.93Å; P289-I291 PolarHBondContact O-N 3.3Å; I291-V296 HydrophobicContact CB-CB 4.39Å; I291-V296 HydrophobicContact CB-CG1 4.48Å; I291-V296 HydrophobicContact CB-CG2 4.01Å; I291-V296 HydrophobicContact CG2-CB 4.34Å; I291-V296 HydrophobicContact CG2-CG2 3.72Å; I291-A334 HydrophobicContact CG2-CB 3.71Å; I291-R335 CarbonylContact C-O 3.44Å; I291-R335 WeakPolarHBondContact CA-O 3.12Å; I291-I336 HydrophobicContact CD1-CB 4.45Å; I291-I336 HydrophobicContact CD1-CG1 3.68Å; I291-Y345 PolarHBondContact N-OH 2.87Å; I291-Y345 PolarHBondContact O-OH 3.42Å
292E91.6Very high93.1Very high56 Ų5620.8 Ų20.826%0.26210%0.101SC..EExtended strand (participates in β ladder)trans-96.7142.8166.6-67.4178.3-18000109.8A334 R335 N337E292-A334 CarbonylContact O-C 3.56Å; E292-A334 WeakPolarHBondContact O-CA 3.1Å; E292-R335 PolarHBondContact N-O 2.96Å; E292-R335 PolarHBondContact O-N 2.82Å; E292-N337 HydrophobicContact CG-CB 4.09Å; E292-N337 PolarHBondContact OE1-ND2 3.23Å
293N91.2Very high92.8Very high73 Ų7321.9 Ų21.939%0.3911%0.109SC..SBendtrans60.5-146.1-174.1-48.7-67.9000112.5Y295 V296 G332N293-Y295 PolarHBondContact O-N 3.12Å; N293-Y295 VanDerWaalsContact O-N 3.09Å; N293-V296 WeakPolarHBondContact O-CB 3.39Å; N293-V296 PolarHBondContact O-N 3.46Å; N293-G332 VanDerWaalsContact CB-O 3.32Å; N293-G332 WeakPolarHBondContact CB-O 3.3Å
294G91.7Very high92.5Very high1 Ų121.2 Ų21.21%0.0111%0.106CC..THydrogen-bonded Turntrans68.113.6175.600000115.3V296 G332G294-V296 PolarHBondContact O-N 3.41Å; G294-G332 PolarHBondContact N-O 3.02Å
295Y90.6Very high92.1Very high91 Ų9124.2 Ų24.236%0.35712%0.119SC..THydrogen-bonded Turntrans60.524-168.8-50.8-83.8000113.4N293 C303 T328 G332 P369N293-Y295 PolarHBondContact O-N 3.12Å; N293-Y295 VanDerWaalsContact O-N 3.09Å; Y295-C303 VanDerWaalsContact O-CB 3.29Å; Y295-C303 WeakPolarHBondContact O-CB 3.35Å; Y295-C303 PolarHBondContact O-N 3Å; Y295-T328 HydrophobicContact CD2-CG2 3.67Å; Y295-T328 HydrophobicContact CE2-CG2 4.31Å; Y295-T328 HydrophobicContact CG-CG2 4.4Å; Y295-G332 VanDerWaalsContact CE2-CA 3.42Å; Y295-P369 VanDerWaalsContact OH-CG 3.23Å; Y295-P369 WeakPolarHBondContact OH-CG 3.48Å
296V92.3Very high91.8Very high22 Ų2223.7 Ų23.713%0.13312%0.118CC..BIsolated β-bridgetrans-85.5127.2173.9-172.70000109I286 I291 N293 G294 L329 Y345I286-V296 HydrophobicContact CD1-CB 4.33Å; I286-V296 HydrophobicContact CD1-CG1 3.84Å; I286-V296 HydrophobicContact CD1-CG2 3.47Å; I286-V296 VanDerWaalsContact CD1-CG2 3.47Å; I286-V296 HydrophobicContact CG1-CG1 4.43Å; I291-V296 HydrophobicContact CB-CB 4.39Å; I291-V296 HydrophobicContact CB-CG1 4.48Å; I291-V296 HydrophobicContact CB-CG2 4.01Å; I291-V296 HydrophobicContact CG2-CB 4.34Å; I291-V296 HydrophobicContact CG2-CG2 3.72Å; N293-V296 WeakPolarHBondContact O-CB 3.39Å; N293-V296 PolarHBondContact O-N 3.46Å; G294-V296 PolarHBondContact O-N 3.41Å; V296-L329 HydrophobicContact CG2-CD2 3.48Å; V296-L329 VanDerWaalsContact CG2-CD2 3.48Å; V296-Y345 WeakPolarHBondContact CG1-OH 3.45Å
297L89.7Confident91.6Very high12 Ų1223.9 Ų23.96%0.06312%0.119CC..  trans-98.3168.1178.7-57.3-179.7000111.1L53 G299 G300 A301 C303 L357L53-L297 HydrophobicContact CD2-CD2 4.47Å; L297-G299 PolarHBondContact O-N 2.94Å; L297-G300 PolarHBondContact O-N 3.11Å; L297-A301 HydrophobicContact CB-CB 4.21Å; L297-A301 PolarHBondContact N-O 2.93Å; L297-C303 HydrophobicContact CD1-CB 4.06Å; L297-C303 HydrophobicContact CD2-CB 4.18Å; L297-C303 HydrophobicContact CG-CB 3.98Å; L297-L357 HydrophobicContact CD1-CB 4.22Å; L297-L357 HydrophobicContact CD1-CD1 3.91Å
298A83.5Confident91.2Very high12 Ų1222 Ų2210%0.09911%0.109CC..THydrogen-bonded Turntrans-41.2137.5169.100000113.2E34 T49 S51 F64 G300 S353E34-A298 HydrophobicContact CG-CB 4.07Å; E34-A298 WeakPolarHBondContact OE2-CB 3.3Å; T49-A298 HydrophobicContact CG2-CB 4.15Å; S51-A298 VanDerWaalsContact OG-CB 3.3Å; S51-A298 WeakPolarHBondContact OG-CB 3.27Å; F64-A298 HydrophobicContact CZ-CB 3.95Å; A298-G300 PolarHBondContact O-N 3.16Å; A298-S353 WeakPolarHBondContact CB-OG 3.33Å; A298-S353 WeakPolarHBondContact O-CB 3.16Å; A298-S353 PolarHBondContact O-OG 3.38Å
299G88.1Confident90.7Very high1 Ų126.4 Ų26.41%0.0113%0.129CC..BIsolated β-bridgetrans76.2-5.4-178.100000115.7L297 Y345 S346 A350L297-G299 PolarHBondContact O-N 2.94Å; G299-Y345 WeakPolarHBondContact O-CA 3.44Å; G299-S346 PolarHBondContact O-N 3.31Å; G299-A350 WeakPolarHBondContact O-CB 3.39Å
300G93Very high90.2Very high0 Ų030.7 Ų30.70%015%0.149CC..THydrogen-bonded Turntrans9611.3179.800000113.9R285 I286 L297 A298 Y345R285-G300 CarbonylContact C-O 3.56Å; R285-G300 VanDerWaalsContact CA-O 3.24Å; R285-G300 WeakPolarHBondContact CA-O 3.28Å; R285-G300 WeakPolarHBondContact CB-O 3.38Å; I286-G300 PolarHBondContact N-O 3.38Å; L297-G300 PolarHBondContact O-N 3.11Å; A298-G300 PolarHBondContact O-N 3.16Å; G300-Y345 VanDerWaalsContact N-CD1 3.26Å
301A92.8Very high89.9Confident1 Ų131 Ų311%0.00815%0.154CC..BIsolated β-bridgetrans-67.3151.7173.900000111.3L297 A350L297-A301 HydrophobicContact CB-CB 4.21Å; L297-A301 PolarHBondContact N-O 2.93Å; A301-A350 HydrophobicContact CB-CB 4.08Å; A301-A350 WeakPolarHBondContact CB-O 3.17Å
302I92.2Very high89.8Confident5 Ų531.7 Ų31.73%0.02616%0.156CC..BIsolated β-bridgetrans-109.6123.7179.4-52.7178.4000108.7L269 V284 I286 M304 I325L269-I302 HydrophobicContact CD2-CD1 4.38Å; V284-I302 HydrophobicContact CG1-CD1 4.05Å; I286-I302 HydrophobicContact CG1-CD1 4.08Å; I286-I302 HydrophobicContact CG1-CG1 4.12Å; I302-M304 HydrophobicContact CG2-CB 4.35Å; I302-M304 HydrophobicContact CG2-CG 3.71Å; I302-M304 HydrophobicContact CG2-SD 3.61Å; I302-M304 PolarHBondContact O-N 3.16Å; I302-M304 VanDerWaalsContact O-N 3.15Å; I302-I325 HydrophobicContact CD1-CG1 4.48Å; I302-I325 HydrophobicContact CD1-CG2 3.88Å
303C89.9Confident89.9Confident25 Ų2531.3 Ų31.317%0.16916%0.16CC..  trans-80.686.4175.2171.80000109.4Y295 L297 L357Y295-C303 VanDerWaalsContact O-CB 3.29Å; Y295-C303 WeakPolarHBondContact O-CB 3.35Å; Y295-C303 PolarHBondContact O-N 3Å; L297-C303 HydrophobicContact CD1-CB 4.06Å; L297-C303 HydrophobicContact CD2-CB 4.18Å; L297-C303 HydrophobicContact CG-CB 3.98Å; C303-L357 HydrophobicContact CB-CD1 3.51Å; C303-L357 WeakPolarHBondContact SG-CD1 3.49Å
304M90.2Very high89.9Confident14 Ų1430.1 Ų30.17%0.06916%0.157CC..  trans-137.6128.8177.6-79.1176.57300110.9I302 L306 F307 Q324 I325 T328I302-M304 HydrophobicContact CG2-CB 4.35Å; I302-M304 HydrophobicContact CG2-CG 3.71Å; I302-M304 HydrophobicContact CG2-SD 3.61Å; I302-M304 PolarHBondContact O-N 3.16Å; I302-M304 VanDerWaalsContact O-N 3.15Å; M304-L306 HydrophobicContact CE-CB 4.41Å; M304-L306 HydrophobicContact CE-CD2 4.25Å; M304-L306 PolarHBondContact O-N 3.17Å; M304-F307 HydrophobicContact CB-CD2 4.01Å; M304-F307 HydrophobicContact CB-CE2 4.47Å; M304-F307 HydrophobicContact CE-CE2 4.21Å; M304-F307 PolarHBondContact O-N 3.33Å; M304-F307 HydrophobicContact SD-CD2 4.46Å; M304-F307 HydrophobicContact SD-CE2 4.04Å; M304-Q324 HydrophobicContact CE-CB 4.27Å; M304-I325 HydrophobicContact CE-CG1 4.31Å; M304-I325 HydrophobicContact SD-CB 4.49Å; M304-I325 HydrophobicContact SD-CG1 3.9Å; M304-T328 HydrophobicContact CE-CG2 4.43Å; M304-T328 WeakPolarHBondContact CE-OG1 3.27Å; M304-T328 HydrophobicContact CG-CG2 3.84Å; M304-T328 HydrophobicContact SD-CG2 3.89Å
305E87.3Confident90Very high70 Ų7033.6 Ų33.633%0.32719%0.186SC..G310 helixtrans-54.8-38.1175.9-179.2168.9-154.200111.7F307 T308 G311 W366E305-F307 PolarHBondContact O-N 3.3Å; E305-T308 WeakPolarHBondContact O-CB 3.47Å; E305-T308 PolarHBondContact O-N 3.22Å; E305-T308 PolarHBondContact O-OG1 2.67Å; E305-G311 WeakPolarHBondContact O-CA 3.45Å; E305-W366 HydrophobicContact CB-CB 4.22Å; E305-W366 HydrophobicContact CB-CD2 3.53Å; E305-W366 HydrophobicContact CB-CE3 3.71Å; E305-W366 HydrophobicContact CB-CG 3.74Å; E305-W366 HydrophobicContact CB-CZ3 4.32Å; E305-W366 HydrophobicContact CG-CB 4.09Å; E305-W366 HydrophobicContact CG-CD2 3.85Å; E305-W366 HydrophobicContact CG-CG 3.58Å; E305-W366 WeakPolarHBondContact OE1-CB 3.37Å; E305-W366 VanDerWaalsContact OE1-CD1 3.26Å; E305-W366 WeakPolarHBondContact OE2-CB 3.49Å
306L91.1Very high90.1Very high13 Ų1333.6 Ų33.67%0.06819%0.186CC..G310 helixtrans-50.1-35.2179.4178.964.6000113.4M304 W312 Y316 Q324M304-L306 HydrophobicContact CE-CB 4.41Å; M304-L306 HydrophobicContact CE-CD2 4.25Å; M304-L306 PolarHBondContact O-N 3.17Å; L306-W312 HydrophobicContact CD1-CE3 4.39Å; L306-W312 WeakPolarHBondContact O-CA 3.4Å; L306-W312 WeakPolarHBondContact O-CB 3.34Å; L306-Y316 HydrophobicContact CD1-CD1 4.46Å; L306-Y316 HydrophobicContact CD1-CD2 3.34Å; L306-Y316 HydrophobicContact CD1-CE1 4.44Å; L306-Y316 HydrophobicContact CD1-CE2 3.33Å; L306-Y316 HydrophobicContact CD1-CG 3.96Å; L306-Q324 HydrophobicContact CD2-CB 4.25Å
307F92.7Very high90.3Very high5 Ų536 Ų362%0.02220%0.198CC..G310 helixtrans-96.816.9-177.9-59.6-59.7000113.3F271 P281 P282 V284 M304 E305 I325 Y354F271-F307 HydrophobicContact CE1-CE1 4.48Å; P281-F307 WeakPolarHBondContact CG-O 3.4Å; P282-F307 HydrophobicContact CG-CD1 4.19Å; P282-F307 HydrophobicContact CG-CE1 4.19Å; V284-F307 HydrophobicContact CB-CD2 4.35Å; V284-F307 HydrophobicContact CB-CE2 4.36Å; V284-F307 HydrophobicContact CG2-CD1 3.78Å; V284-F307 HydrophobicContact CG2-CD2 4.28Å; V284-F307 HydrophobicContact CG2-CE1 3.66Å; V284-F307 HydrophobicContact CG2-CE2 4.18Å; V284-F307 HydrophobicContact CG2-CG 4.11Å; V284-F307 HydrophobicContact CG2-CZ 3.88Å; M304-F307 HydrophobicContact CB-CD2 4.01Å; M304-F307 HydrophobicContact CB-CE2 4.47Å; M304-F307 HydrophobicContact CE-CE2 4.21Å; M304-F307 PolarHBondContact O-N 3.33Å; M304-F307 HydrophobicContact SD-CD2 4.46Å; M304-F307 HydrophobicContact SD-CE2 4.04Å; E305-F307 PolarHBondContact O-N 3.3Å; F307-I325 HydrophobicContact CE2-CD1 3.72Å; F307-I325 HydrophobicContact CE2-CG1 3.6Å; F307-I325 HydrophobicContact CZ-CD1 3.63Å; F307-I325 HydrophobicContact CZ-CG1 3.88Å; F307-Y354 WeakPolarHBondContact O-CE2 3.32Å; F307-Y354 PolarHBondContact O-OH 3.01Å
308T88.6Confident90.6Very high0 Ų035.4 Ų35.40%020%0.195CC..SBendtrans-106.4162.4175.970.10000111.5E305 Q310 G311 W312 Y354 L357 V358 W366E305-T308 WeakPolarHBondContact O-CB 3.47Å; E305-T308 PolarHBondContact O-N 3.22Å; E305-T308 PolarHBondContact O-OG1 2.67Å; T308-Q310 PolarHBondContact O-N 3.23Å; T308-G311 PolarHBondContact O-N 3.39Å; T308-G311 PolarHBondContact OG1-N 3.2Å; T308-W312 WeakPolarHBondContact O-CB 3.19Å; T308-W312 PolarHBondContact O-N 3.33Å; T308-Y354 HydrophobicContact CG2-CE2 4.34Å; T308-L357 HydrophobicContact CG2-CD2 4.39Å; T308-V358 HydrophobicContact CG2-CG2 4.05Å; T308-W366 HydrophobicContact CG2-CH2 3.84Å; T308-W366 HydrophobicContact CG2-CZ2 3.29Å
309K85Confident91.3Very high131 Ų13137.1 Ų37.157%0.5720%0.201SC*.THydrogen-bonded Turntrans-60.3-30-179.9-70.9-169.1172-156.90112.8E280E280-K309 WeakPolarHBondContact OE1-CE 3.39Å; E280-K309 IonicContact OE1-NZ 3.76Å; E280-K309 PolarHBondContact OE1-NZ 3.3Å
310Q84.1Confident91.7Very high94 Ų9439.3 Ų39.344%0.43922%0.216SC..THydrogen-bonded Turntrans-80.8-37.6-177.9-63.273.819.900111.9T308 E362T308-Q310 PolarHBondContact O-N 3.23Å; Q310-E362 VanDerWaalsContact NE2-CG 3.29Å; Q310-E362 PolarHBondContact NE2-OE1 2.9Å
311G87.1Confident91.9Very high17 Ų1739.3 Ų39.318%0.17522%0.216CC..THydrogen-bonded Turntrans-93.5-17.9-177.500000115.4E305 T308 Y316E305-G311 WeakPolarHBondContact O-CA 3.45Å; T308-G311 PolarHBondContact O-N 3.39Å; T308-G311 PolarHBondContact OG1-N 3.2Å; G311-Y316 WeakPolarHBondContact O-CE2 3.46Å
312W92.8Very high92.1Very high22 Ų2239.3 Ų39.38%0.08322%0.216CC..  trans-77.2138.8-179.1178.7-105.7000112.1Y277 P278 P281 L306 T308 Y316 I318Y277-W312 HydrophobicContact CD2-CZ2 4.33Å; Y277-W312 HydrophobicContact CE2-CH2 4.06Å; Y277-W312 AromaticContact CE2-CZ2 3.6Å; Y277-W312 HydrophobicContact CE2-CZ2 3.6Å; P278-W312 PolarHBondContact O-NE1 3.34Å; P281-W312 HydrophobicContact CB-CB 3.78Å; P281-W312 HydrophobicContact CB-CD2 3.57Å; P281-W312 HydrophobicContact CB-CE3 3.86Å; P281-W312 HydrophobicContact CB-CG 3.52Å; P281-W312 HydrophobicContact CG-CB 3.87Å; P281-W312 HydrophobicContact CG-CG 3.98Å; L306-W312 HydrophobicContact CD1-CE3 4.39Å; L306-W312 WeakPolarHBondContact O-CA 3.4Å; L306-W312 WeakPolarHBondContact O-CB 3.34Å; T308-W312 WeakPolarHBondContact O-CB 3.19Å; T308-W312 PolarHBondContact O-N 3.33Å; W312-Y316 HydrophobicContact CE3-CD2 4.08Å; W312-Y316 HydrophobicContact CZ3-CD2 4.28Å; W312-I318 HydrophobicContact CH2-CD1 4.3Å
313S93.1Very high92.4Very high49 Ų4942 Ų4234%0.34323%0.229SC..  trans-126.6137.2167.4179.90000109.3A315 Y316S313-A315 PolarHBondContact O-N 2.91Å; S313-A315 PolarHBondContact OG-N 3.04Å; S313-Y316 WeakPolarHBondContact O-CB 3.33Å; S313-Y316 WeakPolarHBondContact O-CD2 3.48Å; S313-Y316 PolarHBondContact O-N 2.88Å
314S92.7Very high92.6Very high48 Ų4844.4 Ų44.434%0.33624%0.238SC..THydrogen-bonded Turntrans-63-10173.661.10000113.2R206 P278 Y316R206-S314 VanDerWaalsContact CZ-O 3.28Å; R206-S314 PolarHBondContact NH1-O 2.96Å; R206-S314 PolarHBondContact NH2-O 3.15Å; P278-S314 WeakPolarHBondContact O-CA 3.1Å; P278-S314 WeakPolarHBondContact O-CB 3.29Å; S314-Y316 VanDerWaalsContact C-N 3.34Å
315A92.7Very high93Very high73 Ų7343.7 Ų43.760%0.60323%0.234SC*.THydrogen-bonded Turntrans-80.1-11.2172.300000113.7S313S313-A315 PolarHBondContact O-N 2.91Å; S313-A315 PolarHBondContact OG-N 3.04Å
316Y94.1Very high93.5Very high92 Ų9240.7 Ų40.736%0.36122%0.221SC..  trans-76.1133.9177.2-69.2-50000112R206 L306 G311 W312 S313 S314R206-Y316 PolarHBondContact NH2-O 3.31Å; L306-Y316 HydrophobicContact CD1-CD1 4.46Å; L306-Y316 HydrophobicContact CD1-CD2 3.34Å; L306-Y316 HydrophobicContact CD1-CE1 4.44Å; L306-Y316 HydrophobicContact CD1-CE2 3.33Å; L306-Y316 HydrophobicContact CD1-CG 3.96Å; G311-Y316 WeakPolarHBondContact O-CE2 3.46Å; W312-Y316 HydrophobicContact CE3-CD2 4.08Å; W312-Y316 HydrophobicContact CZ3-CD2 4.28Å; S313-Y316 WeakPolarHBondContact O-CB 3.33Å; S313-Y316 WeakPolarHBondContact O-CD2 3.48Å; S313-Y316 PolarHBondContact O-N 2.88Å; S314-Y316 VanDerWaalsContact C-N 3.34Å
317D94.7Very high93.7Very high72 Ų7242.9 Ų42.939%0.38524%0.241SC..  trans-85.6148.6173.2-48.5-59.4000110.7E210 S320 S321E210-D317 WeakPolarHBondContact OE2-CA 3.29Å; D317-S320 PolarHBondContact O-N 2.97Å; D317-S321 PolarHBondContact O-N 2.81Å; D317-S321 PolarHBondContact O-OG 2.94Å
318I97.8Very high93.8Very high0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-70.3-35-177.9-61.5-58.6000111.6E210 I214 W237 F271 F273 Y277 P282 W312 S321 I322E210-I318 HydrophobicContact CB-CB 4.41Å; E210-I318 HydrophobicContact CB-CG1 4.06Å; E210-I318 HydrophobicContact CG-CG1 3.87Å; E210-I318 PolarHBondContact OE2-N 2.67Å; I214-I318 HydrophobicContact CD1-CB 4.16Å; I214-I318 HydrophobicContact CD1-CG2 3.97Å; W237-I318 HydrophobicContact CE3-CG2 4.18Å; W237-I318 HydrophobicContact CZ3-CB 4.29Å; W237-I318 HydrophobicContact CZ3-CG2 3.73Å; F271-I318 HydrophobicContact CD1-CG2 4.37Å; F271-I318 HydrophobicContact CE1-CG2 4.24Å; F273-I318 HydrophobicContact CE1-CD1 3.7Å; F273-I318 HydrophobicContact CE1-CG1 4.22Å; F273-I318 HydrophobicContact CZ-CD1 4.08Å; F273-I318 HydrophobicContact CZ-CG1 4.29Å; Y277-I318 HydrophobicContact CE2-CD1 4.12Å; Y277-I318 WeakPolarHBondContact OH-CD1 3.44Å; Y277-I318 WeakPolarHBondContact OH-CG1 3.4Å; P282-I318 HydrophobicContact CG-CD1 4.27Å; W312-I318 HydrophobicContact CH2-CD1 4.3Å; I318-S321 WeakPolarHBondContact O-CB 3.09Å; I318-S321 PolarHBondContact O-N 3.48Å; I318-S321 VanDerWaalsContact O-N 3.14Å; I318-I322 HydrophobicContact CG2-CD1 4.06Å; I318-I322 HydrophobicContact CG2-CG1 4.41Å; I318-I322 WeakPolarHBondContact O-CG1 3.44Å; I318-I322 PolarHBondContact O-N 3.1Å
319E97.4Very high94.2Very high48 Ų4844.2 Ų44.222%0.22425%0.25CC..Hα-helixtrans-57.4-51.2172.7-171.5-124.4173.400111.1I214 S219 F225 S321 I322 M323I214-E319 HydrophobicContact CG1-CB 3.88Å; S219-E319 VanDerWaalsContact CB-OE1 3.24Å; S219-E319 WeakPolarHBondContact CB-OE1 3.5Å; S219-E319 PolarHBondContact OG-OE1 3.1Å; F225-E319 HydrophobicContact CE1-CG 4.21Å; F225-E319 HydrophobicContact CZ-CG 3.88Å; E319-S321 PolarHBondContact O-N 3.02Å; E319-I322 WeakPolarHBondContact O-CB 3.13Å; E319-I322 PolarHBondContact O-N 2.77Å; E319-I322 VanDerWaalsContact O-N 3.14Å; E319-M323 WeakPolarHBondContact O-CG 3.11Å; E319-M323 PolarHBondContact O-N 3.24Å
320S96.2Very high94.7Very high46 Ų4639.2 Ų39.232%0.32223%0.23SC..Hα-helixtrans-59.6-34.8175.7-75.60000112.3D317 Q324D317-S320 PolarHBondContact O-N 2.97Å; S320-Q324 WeakPolarHBondContact O-CB 3.48Å; S320-Q324 VanDerWaalsContact O-CG 3.27Å; S320-Q324 WeakPolarHBondContact O-CG 3.41Å; S320-Q324 PolarHBondContact O-N 3.12Å; S320-Q324 PolarHBondContact O-NE2 3.11Å
321S96.8Very high95.1Very high0 Ų037.3 Ų37.30%022%0.22CC..Hα-helixtrans-67.6-41.7176.4-57.90000111.9D317 I318 E319 Q324 I325D317-S321 PolarHBondContact O-N 2.81Å; D317-S321 PolarHBondContact O-OG 2.94Å; I318-S321 WeakPolarHBondContact O-CB 3.09Å; I318-S321 PolarHBondContact O-N 3.48Å; I318-S321 VanDerWaalsContact O-N 3.14Å; E319-S321 PolarHBondContact O-N 3.02Å; S321-Q324 PolarHBondContact O-N 2.99Å; S321-I325 WeakPolarHBondContact O-CD1 3.48Å; S321-I325 WeakPolarHBondContact O-CG1 3.46Å; S321-I325 PolarHBondContact O-N 2.94Å
322I98.1Very high95.4Very high1 Ų137.1 Ų37.11%0.00522%0.218CC..Hα-helixtrans-61.6-46.5174.4-66.5162.1000110.3I214 F225 V239 F271 I318 E319 Q324 I325 A326I214-I322 HydrophobicContact CD1-CD1 4.4Å; F225-I322 HydrophobicContact CB-CG2 4.33Å; F225-I322 HydrophobicContact CD1-CG2 3.75Å; F225-I322 HydrophobicContact CD2-CD1 4.04Å; F225-I322 HydrophobicContact CD2-CG2 4.24Å; F225-I322 HydrophobicContact CE1-CG2 4.06Å; F225-I322 HydrophobicContact CE2-CD1 3.66Å; F225-I322 HydrophobicContact CG-CG2 3.85Å; F225-I322 HydrophobicContact CZ-CD1 4.02Å; F225-I322 HydrophobicContact CZ-CG2 4.44Å; V239-I322 HydrophobicContact CG1-CD1 3.9Å; V239-I322 HydrophobicContact CG1-CG1 4.16Å; V239-I322 HydrophobicContact CG1-CG2 3.98Å; V239-I322 HydrophobicContact CG2-CD1 3.9Å; V239-I322 HydrophobicContact CG2-CG1 4.35Å; F271-I322 HydrophobicContact CE1-CG1 4.41Å; F271-I322 HydrophobicContact CE2-CG1 4.02Å; F271-I322 HydrophobicContact CZ-CG1 3.64Å; I318-I322 HydrophobicContact CG2-CD1 4.06Å; I318-I322 HydrophobicContact CG2-CG1 4.41Å; I318-I322 WeakPolarHBondContact O-CG1 3.44Å; I318-I322 PolarHBondContact O-N 3.1Å; E319-I322 WeakPolarHBondContact O-CB 3.13Å; E319-I322 PolarHBondContact O-N 2.77Å; E319-I322 VanDerWaalsContact O-N 3.14Å; I322-Q324 VanDerWaalsContact C-N 3.34Å; I322-Q324 PolarHBondContact O-N 3.08Å; I322-I325 WeakPolarHBondContact O-CB 3.22Å; I322-I325 PolarHBondContact O-N 2.84Å; I322-A326 PolarHBondContact O-N 2.04Å; I322-A326 VanDerWaalsContact O-N 3.08Å
323M97.2Very high95.5Very high63 Ų6344.9 Ų44.931%0.3125%0.248SC..Hα-helixtrans-64.5-37.8179.2-64.8-54.5-69.800112.2I224 F225 E319 A326 A327I224-M323 HydrophobicContact CD1-CE 4.03Å; I224-M323 HydrophobicContact CG2-CE 4.25Å; I224-M323 HydrophobicContact CG2-SD 4.02Å; F225-M323 HydrophobicContact CD1-SD 4.24Å; F225-M323 HydrophobicContact CE1-SD 4.12Å; E319-M323 WeakPolarHBondContact O-CG 3.11Å; E319-M323 PolarHBondContact O-N 3.24Å; M323-A326 PolarHBondContact O-N 3.21Å; M323-A327 PolarHBondContact O-N 3.45Å
324Q95.8Very high95.7Very high74 Ų7442.6 Ų42.635%0.34623%0.232SC..Hα-helixtrans-67.1-35.7174.7-79.1179.279.200113.2M304 L306 S320 S321 I322 A327 T328M304-Q324 HydrophobicContact CE-CB 4.27Å; L306-Q324 HydrophobicContact CD2-CB 4.25Å; S320-Q324 WeakPolarHBondContact O-CB 3.48Å; S320-Q324 VanDerWaalsContact O-CG 3.27Å; S320-Q324 WeakPolarHBondContact O-CG 3.41Å; S320-Q324 PolarHBondContact O-N 3.12Å; S320-Q324 PolarHBondContact O-NE2 3.11Å; S321-Q324 PolarHBondContact O-N 2.99Å; I322-Q324 VanDerWaalsContact C-N 3.34Å; I322-Q324 PolarHBondContact O-N 3.08Å; Q324-A327 PolarHBondContact O-N 3.49Å; Q324-T328 VanDerWaalsContact O-CB 3.29Å; Q324-T328 WeakPolarHBondContact O-CB 3.4Å; Q324-T328 PolarHBondContact O-N 3.41Å; Q324-T328 PolarHBondContact O-OG1 3.38Å
325I97.2Very high95.9Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-61.4-49.4171.6-68.8158.2000109.9L269 F271 V284 I302 M304 F307 S321 I322 A327 T328 L329L269-I325 HydrophobicContact CD1-CD1 4.48Å; L269-I325 HydrophobicContact CD1-CG2 4.09Å; F271-I325 HydrophobicContact CE1-CD1 4.4Å; F271-I325 HydrophobicContact CE2-CD1 4.18Å; F271-I325 HydrophobicContact CZ-CD1 3.54Å; V284-I325 HydrophobicContact CG1-CD1 3.79Å; I302-I325 HydrophobicContact CD1-CG1 4.48Å; I302-I325 HydrophobicContact CD1-CG2 3.88Å; M304-I325 HydrophobicContact CE-CG1 4.31Å; M304-I325 HydrophobicContact SD-CB 4.49Å; M304-I325 HydrophobicContact SD-CG1 3.9Å; F307-I325 HydrophobicContact CE2-CD1 3.72Å; F307-I325 HydrophobicContact CE2-CG1 3.6Å; F307-I325 HydrophobicContact CZ-CD1 3.63Å; F307-I325 HydrophobicContact CZ-CG1 3.88Å; S321-I325 WeakPolarHBondContact O-CD1 3.48Å; S321-I325 WeakPolarHBondContact O-CG1 3.46Å; S321-I325 PolarHBondContact O-N 2.94Å; I322-I325 WeakPolarHBondContact O-CB 3.22Å; I322-I325 PolarHBondContact O-N 2.84Å; I325-A327 VanDerWaalsContact C-N 3.31Å; I325-A327 PolarHBondContact O-N 2.89Å; I325-T328 PolarHBondContact O-N 3.19Å; I325-T328 VanDerWaalsContact O-N 3.1Å; I325-L329 HydrophobicContact CG2-CD1 3.88Å; I325-L329 HydrophobicContact CG2-CG 4.32Å; I325-L329 WeakPolarHBondContact O-CG 3.4Å; I325-L329 PolarHBondContact O-N 3.37Å
326A97.3Very high96Very high7 Ų742.8 Ų42.86%0.05821%0.21CC..Hα-helixtrans-55.9-46.4178.600000111.6L241 V244 I322 M323 T328 L329 V330L241-A326 HydrophobicContact CD1-CB 4.14Å; L241-A326 HydrophobicContact CD2-CB 3.83Å; V244-A326 HydrophobicContact CG1-CB 4.36Å; I322-A326 PolarHBondContact O-N 2.04Å; I322-A326 VanDerWaalsContact O-N 3.08Å; M323-A326 PolarHBondContact O-N 3.21Å; A326-T328 PolarHBondContact O-N 3.33Å; A326-L329 PolarHBondContact O-N 2.94Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.22Å
327A96.1Very high96Very high58 Ų5839.9 Ų39.948%0.47920%0.201SC..Hα-helixtrans-64.5-38.3176.900000112.7M323 Q324 I325 V330 K331M323-A327 PolarHBondContact O-N 3.45Å; Q324-A327 PolarHBondContact O-N 3.49Å; I325-A327 VanDerWaalsContact C-N 3.31Å; I325-A327 PolarHBondContact O-N 2.89Å; A327-V330 PolarHBondContact O-N 3.14Å; A327-K331 VanDerWaalsContact O-CB 3.31Å; A327-K331 WeakPolarHBondContact O-CB 3.34Å; A327-K331 PolarHBondContact O-N 3.48Å
328T94.7Very high95.9Very high32 Ų3239.3 Ų39.320%0.19620%0.195CC..Hα-helixtrans-69.1-39180-60.30000111.7Y295 M304 Q324 I325 A326 K331 G332Y295-T328 HydrophobicContact CD2-CG2 3.67Å; Y295-T328 HydrophobicContact CE2-CG2 4.31Å; Y295-T328 HydrophobicContact CG-CG2 4.4Å; M304-T328 HydrophobicContact CE-CG2 4.43Å; M304-T328 WeakPolarHBondContact CE-OG1 3.27Å; M304-T328 HydrophobicContact CG-CG2 3.84Å; M304-T328 HydrophobicContact SD-CG2 3.89Å; Q324-T328 VanDerWaalsContact O-CB 3.29Å; Q324-T328 WeakPolarHBondContact O-CB 3.4Å; Q324-T328 PolarHBondContact O-N 3.41Å; Q324-T328 PolarHBondContact O-OG1 3.38Å; I325-T328 PolarHBondContact O-N 3.19Å; I325-T328 VanDerWaalsContact O-N 3.1Å; A326-T328 PolarHBondContact O-N 3.33Å; T328-K331 PolarHBondContact O-N 3.14Å; T328-G332 PolarHBondContact O-N 3.48Å
329L96.5Very high95.6Very high1 Ų144.3 Ų44.31%0.00523%0.23CC..Hα-helixtrans-61.5-46.6174.3-69.5166.9000110.8L250 L267 I286 V296 I325 A326 G332 R333 A334L250-L329 HydrophobicContact CD2-CB 3.99Å; L267-L329 HydrophobicContact CD2-CD1 3.51Å; I286-L329 HydrophobicContact CD1-CD2 4.18Å; V296-L329 HydrophobicContact CG2-CD2 3.48Å; V296-L329 VanDerWaalsContact CG2-CD2 3.48Å; I325-L329 HydrophobicContact CG2-CD1 3.88Å; I325-L329 HydrophobicContact CG2-CG 4.32Å; I325-L329 WeakPolarHBondContact O-CG 3.4Å; I325-L329 PolarHBondContact O-N 3.37Å; A326-L329 PolarHBondContact O-N 2.94Å; L329-G332 CarbonylContact O-C 3.47Å; L329-G332 PolarHBondContact O-N 2.92Å; L329-R333 PolarHBondContact O-N 2.96Å; L329-A334 HydrophobicContact CB-CB 3.88Å; L329-A334 HydrophobicContact CD2-CB 4.18Å; L329-A334 WeakPolarHBondContact O-CB 3.4Å; L329-A334 PolarHBondContact O-N 2.75Å
330V96.9Very high95.1Very high26 Ų2643.1 Ų43.116%0.15823%0.228CC..Hα-helixtrans-59.6-50.9176168.60000111.1V244 D245 A326 A327 G332 R333V244-V330 HydrophobicContact CB-CG2 3.87Å; V244-V330 HydrophobicContact CG2-CG2 4.15Å; D245-V330 HydrophobicContact CB-CG1 4Å; D245-V330 HydrophobicContact CB-CG2 4.08Å; A326-V330 WeakPolarHBondContact O-CG2 3.43Å; A326-V330 PolarHBondContact O-N 3.22Å; A327-V330 PolarHBondContact O-N 3.14Å; V330-G332 VanDerWaalsContact C-N 3.28Å; V330-G332 PolarHBondContact O-N 3.49Å; V330-R333 WeakPolarHBondContact O-CA 3.48Å; V330-R333 PolarHBondContact O-N 2.87Å
331K92.8Very high94.4Very high54 Ų5444.6 Ų44.624%0.23524%0.235CC..Hα-helixtrans-59.8-38.5179.4-173.6177.7-176.7-176.70112.3A327 T328 R333 P369 P370A327-K331 VanDerWaalsContact O-CB 3.31Å; A327-K331 WeakPolarHBondContact O-CB 3.34Å; A327-K331 PolarHBondContact O-N 3.48Å; T328-K331 PolarHBondContact O-N 3.14Å; K331-R333 PolarHBondContact O-N 3.34Å; K331-P369 PolarHBondContact NZ-O 2.88Å; K331-P370 PolarHBondContact NZ-O 3.27Å
332G92.2Very high93.1Very high13 Ų1350 Ų5013%0.13426%0.264CS..THydrogen-bonded Turntrans-76.57.4174.500000114.3N293 G294 Y295 T328 L329 V330 A334N293-G332 VanDerWaalsContact CB-O 3.32Å; N293-G332 WeakPolarHBondContact CB-O 3.3Å; G294-G332 PolarHBondContact N-O 3.02Å; Y295-G332 VanDerWaalsContact CE2-CA 3.42Å; T328-G332 PolarHBondContact O-N 3.48Å; L329-G332 CarbonylContact O-C 3.47Å; L329-G332 PolarHBondContact O-N 2.92Å; V330-G332 VanDerWaalsContact C-N 3.28Å; V330-G332 PolarHBondContact O-N 3.49Å; G332-A334 PolarHBondContact O-N 2.65Å
333R95.4Very high92.2Very high186 Ų18655.7 Ų55.770%0.70230%0.295SS*.THydrogen-bonded Turntrans52.341.4-178.4-55.6-179.1-176.81722.2112.4L329 V330 K331L329-R333 PolarHBondContact O-N 2.96Å; V330-R333 WeakPolarHBondContact O-CA 3.48Å; V330-R333 PolarHBondContact O-N 2.87Å; K331-R333 PolarHBondContact O-N 3.34Å
334A96.3Very high91.6Very high1 Ų155.3 Ų55.31%0.00829%0.292CS..  trans-51.3138.3175.500000111.3L250 I291 E292 L329 G332L250-A334 WeakPolarHBondContact CB-O 3.3Å; L250-A334 HydrophobicContact CD1-CB 4.44Å; L250-A334 HydrophobicContact CD2-CB 4.06Å; I291-A334 HydrophobicContact CG2-CB 3.71Å; E292-A334 CarbonylContact O-C 3.56Å; E292-A334 WeakPolarHBondContact O-CA 3.1Å; L329-A334 HydrophobicContact CB-CB 3.88Å; L329-A334 HydrophobicContact CD2-CB 4.18Å; L329-A334 WeakPolarHBondContact O-CB 3.4Å; L329-A334 PolarHBondContact O-N 2.75Å; G332-A334 PolarHBondContact O-N 2.65Å
335R96.8Very high91.4Very high114 Ų11453 Ų5343%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-133.3146.4173.6-60.7-59.5-58.3-78.6-0.3110.4D253 I291 E292D253-R335 IonicContact OD1-CZ 2.75Å; D253-R335 IonicContact OD1-NE 3.59Å; D253-R335 PolarHBondContact OD1-NE 3.47Å; D253-R335 IonicContact OD1-NH2 3.58Å; D253-R335 PolarHBondContact OD1-NH2 3.42Å; D253-R335 VanDerWaalsContact OD2-CA 3.28Å; D253-R335 WeakPolarHBondContact OD2-CA 3.23Å; D253-R335 IonicContact OD2-CZ 2.75Å; D253-R335 IonicContact OD2-NE 2.78Å; D253-R335 PolarHBondContact OD2-NE 2.82Å; D253-R335 IonicContact OD2-NH2 3.17Å; I291-R335 CarbonylContact C-O 3.44Å; I291-R335 WeakPolarHBondContact CA-O 3.12Å; E292-R335 PolarHBondContact N-O 2.96Å; E292-R335 PolarHBondContact O-N 2.82Å
336I95.9Very high91.1Very high11 Ų1155.1 Ų55.16%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-79.1127.9174.7-62.3176.8000109.4L250 D253 L254 L257 P289 I291 F338L250-I336 HydrophobicContact CD1-CD1 4.42Å; L250-I336 HydrophobicContact CD1-CG1 3.97Å; D253-I336 HydrophobicContact CB-CB 3.93Å; D253-I336 HydrophobicContact CB-CD1 3.75Å; D253-I336 HydrophobicContact CB-CG1 3.8Å; D253-I336 PolarHBondContact OD2-N 2.99Å; L254-I336 HydrophobicContact CD2-CD1 4.06Å; L254-I336 HydrophobicContact CG-CD1 4.4Å; L257-I336 HydrophobicContact CB-CD1 4.36Å; L257-I336 HydrophobicContact CD1-CD1 4.47Å; L257-I336 HydrophobicContact CD2-CD1 3.97Å; P289-I336 HydrophobicContact CB-CG2 3.87Å; P289-I336 HydrophobicContact CG-CB 4.36Å; P289-I336 HydrophobicContact CG-CD1 3.87Å; P289-I336 HydrophobicContact CG-CG1 3.94Å; P289-I336 HydrophobicContact CG-CG2 3.57Å; I291-I336 HydrophobicContact CD1-CB 4.45Å; I291-I336 HydrophobicContact CD1-CG1 3.68Å; I336-F338 HydrophobicContact CB-CD2 4.35Å; I336-F338 HydrophobicContact CB-CE2 3.89Å; I336-F338 HydrophobicContact CB-CZ 4Å; I336-F338 HydrophobicContact CD1-CZ 4.46Å; I336-F338 HydrophobicContact CG2-CD1 4.07Å; I336-F338 HydrophobicContact CG2-CD2 4.1Å; I336-F338 HydrophobicContact CG2-CE1 3.95Å; I336-F338 HydrophobicContact CG2-CE2 3.99Å; I336-F338 HydrophobicContact CG2-CG 4.15Å; I336-F338 HydrophobicContact CG2-CZ 3.91Å; I336-F338 WeakPolarHBondContact O-CD2 3.23Å; I336-F338 PolarHBondContact O-N 3.47Å
337N93.3Very high90.9Very high31 Ų3157.8 Ų57.817%0.16631%0.308CS..  trans-88.591.1168.8-173.2-21.8000110.3V290 E292 S339 A340V290-N337 HydrophobicContact CG1-CB 4.44Å; V290-N337 PolarHBondContact O-N 2.78Å; E292-N337 HydrophobicContact CG-CB 4.09Å; E292-N337 PolarHBondContact OE1-ND2 3.23Å; N337-S339 PolarHBondContact O-N 3.16Å; N337-S339 VanDerWaalsContact O-N 3.11Å; N337-S339 WeakPolarHBondContact OD1-CA 3.12Å; N337-S339 PolarHBondContact OD1-N 3.28Å; N337-S339 PolarHBondContact OD1-OG 2.81Å; N337-A340 HydrophobicContact CB-CB 3.98Å; N337-A340 WeakPolarHBondContact O-CB 3.12Å; N337-A340 PolarHBondContact O-N 3.25Å; N337-A340 VanDerWaalsContact O-N 3.14Å; N337-A340 PolarHBondContact OD1-N 3.27Å
338F93.6Very high90.6Very high59 Ų5960.4 Ų60.426%0.25931%0.306SS..THydrogen-bonded Turntrans-64.1-12.5177.8-64.8-83.9000114.6D253 E256 L257 L263 I336D253-F338 HydrophobicContact CB-CE2 4.1Å; D253-F338 HydrophobicContact CB-CZ 4.05Å; D253-F338 WeakPolarHBondContact O-CZ 3.32Å; E256-F338 HydrophobicContact CB-CE1 4.45Å; E256-F338 HydrophobicContact CB-CZ 4Å; E256-F338 HydrophobicContact CG-CE1 4.2Å; E256-F338 HydrophobicContact CG-CZ 4.03Å; L257-F338 HydrophobicContact CB-CE1 4.38Å; L257-F338 HydrophobicContact CD1-CE1 3.96Å; L263-F338 HydrophobicContact CD1-CD1 4.27Å; I336-F338 HydrophobicContact CB-CD2 4.35Å; I336-F338 HydrophobicContact CB-CE2 3.89Å; I336-F338 HydrophobicContact CB-CZ 4Å; I336-F338 HydrophobicContact CD1-CZ 4.46Å; I336-F338 HydrophobicContact CG2-CD1 4.07Å; I336-F338 HydrophobicContact CG2-CD2 4.1Å; I336-F338 HydrophobicContact CG2-CE1 3.95Å; I336-F338 HydrophobicContact CG2-CE2 3.99Å; I336-F338 HydrophobicContact CG2-CG 4.15Å; I336-F338 HydrophobicContact CG2-CZ 3.91Å; I336-F338 WeakPolarHBondContact O-CD2 3.23Å; I336-F338 PolarHBondContact O-N 3.47Å
339S90.1Very high90.4Very high106 Ų10661.6 Ų61.674%0.74131%0.307SS*.THydrogen-bonded Turntrans-98-6.5178.469.90000113.7N337N337-S339 PolarHBondContact O-N 3.16Å; N337-S339 VanDerWaalsContact O-N 3.11Å; N337-S339 WeakPolarHBondContact OD1-CA 3.12Å; N337-S339 PolarHBondContact OD1-N 3.28Å; N337-S339 PolarHBondContact OD1-OG 2.81Å
340A87.3Confident90.2Very high22 Ų2261.6 Ų61.618%0.18231%0.306CS..  trans-74.1157.7-178.800000112.1V290 N337V290-A340 HydrophobicContact CB-CB 3.52Å; V290-A340 HydrophobicContact CG1-CB 3.92Å; V290-A340 HydrophobicContact CG2-CB 3.66Å; N337-A340 HydrophobicContact CB-CB 3.98Å; N337-A340 WeakPolarHBondContact O-CB 3.12Å; N337-A340 PolarHBondContact O-N 3.25Å; N337-A340 VanDerWaalsContact O-N 3.14Å; N337-A340 PolarHBondContact OD1-N 3.27Å
341T81.1Confident89.9Confident77 Ų7764 Ų6447%0.47232%0.316SS..  trans-100.7143176.748.60000109.9D343 Q344T341-D343 WeakPolarHBondContact CB-OD1 3.27Å; T341-D343 PolarHBondContact O-N 3.16Å; T341-D343 VanDerWaalsContact O-N 3.09Å; T341-D343 PolarHBondContact OG1-OD1 3.49Å; T341-Q344 WeakPolarHBondContact O-CG 3.16Å; T341-Q344 PolarHBondContact O-N 3.03Å
342D71.3Confident89.6Confident113 Ų11361.9 Ų61.960%0.60431%0.307SS*.G310 helixtrans-63.1-17.7-175.8-65.1-22.7000113.9Q344 Y345D342-Q344 PolarHBondContact O-N 3.29Å; D342-Y345 PolarHBondContact O-N 3.32Å
343D79.1Confident89.4Confident121 Ų12161.2 Ų61.265%0.64730%0.301SS*.G310 helixtrans-72.2-9.5179.768.4-28000114.1T341 Y345T341-D343 WeakPolarHBondContact CB-OD1 3.27Å; T341-D343 PolarHBondContact O-N 3.16Å; T341-D343 VanDerWaalsContact O-N 3.09Å; T341-D343 PolarHBondContact OG1-OD1 3.49Å; D343-Y345 VanDerWaalsContact C-N 3.29Å; D343-Y345 PolarHBondContact O-N 3.3Å
344Q82.9Confident89Confident56 Ų5654.6 Ų54.626%0.26228%0.276SS..G310 helixtrans-69-29.8176.6-66.3-17630.600112.1V290 T341 D342V290-Q344 HydrophobicContact CG2-CB 4.13Å; T341-Q344 WeakPolarHBondContact O-CG 3.16Å; T341-Q344 PolarHBondContact O-N 3.03Å; D342-Q344 PolarHBondContact O-N 3.29Å
345Y92.8Very high88.4Confident26 Ų2661.1 Ų61.110%0.10230%0.3CS..BIsolated β-bridgetrans-101.9126.6-179.6-71.7-5000111.6I286 V290 I291 V296 G299 G300 D342 D343I286-Y345 HydrophobicContact CB-CD2 4.33Å; I286-Y345 HydrophobicContact CB-CE2 3.9Å; I286-Y345 HydrophobicContact CG2-CD2 4.16Å; I286-Y345 HydrophobicContact CG2-CE2 3.68Å; V290-Y345 HydrophobicContact CB-CE2 4.38Å; V290-Y345 HydrophobicContact CG1-CE1 4.15Å; V290-Y345 HydrophobicContact CG2-CD1 4.48Å; V290-Y345 HydrophobicContact CG2-CD2 4.39Å; V290-Y345 HydrophobicContact CG2-CE1 4.35Å; V290-Y345 HydrophobicContact CG2-CE2 4.27Å; I291-Y345 PolarHBondContact N-OH 2.87Å; I291-Y345 PolarHBondContact O-OH 3.42Å; V296-Y345 WeakPolarHBondContact CG1-OH 3.45Å; G299-Y345 WeakPolarHBondContact O-CA 3.44Å; G300-Y345 VanDerWaalsContact N-CD1 3.26Å; D342-Y345 PolarHBondContact O-N 3.32Å; D343-Y345 VanDerWaalsContact C-N 3.29Å; D343-Y345 PolarHBondContact O-N 3.3Å
346S91.7Very high87.6Confident43 Ų4356 Ų5630%0.30128%0.283SS..  trans-151.8152.117572.60000110.6G299 R348 R349 A350G299-S346 PolarHBondContact O-N 3.31Å; S346-R348 VanDerWaalsContact C-N 3.28Å; S346-R348 PolarHBondContact O-N 3.42Å; S346-R349 PolarHBondContact O-N 3.43Å; S346-R349 WeakPolarHBondContact OG-CB 3.48Å; S346-R349 WeakPolarHBondContact OG-CD 3.44Å; S346-R349 VanDerWaalsContact OG-CG 3.24Å; S346-R349 WeakPolarHBondContact OG-CG 3.42Å; S346-R349 PolarHBondContact OG-N 3.45Å; S346-A350 WeakPolarHBondContact O-CB 3.46Å; S346-A350 PolarHBondContact O-N 3.35Å
347L92.4Very high87Confident63 Ų6355.5 Ų55.533%0.3328%0.281SS..Hα-helixtrans-56-45.2-180177.359.3000111.6L272 F283 A350 Q351L272-L347 HydrophobicContact CD1-CD1 3.52Å; L272-L347 HydrophobicContact CD1-CD2 4.2Å; F283-L347 HydrophobicContact CD1-CD1 4.21Å; F283-L347 HydrophobicContact CE1-CD1 3.65Å; L347-A350 PolarHBondContact O-N 2.8Å; L347-Q351 HydrophobicContact CD1-CG 3.97Å; L347-Q351 HydrophobicContact CG-CG 4.41Å; L347-Q351 WeakPolarHBondContact O-CB 3.43Å; L347-Q351 VanDerWaalsContact O-CG 3.28Å; L347-Q351 WeakPolarHBondContact O-CG 3.43Å; L347-Q351 PolarHBondContact O-N 3.03Å
348R90Very high86.3Confident114 Ų11455 Ų5543%0.4328%0.279SS..Hα-helixtrans-57.7-54.8179-177.6177.7174.5-139.52.5110.7E47 D66 S346 A350 Q351 L352E47-R348 IonicContact OE2-CZ 2.6Å; E47-R348 IonicContact OE2-NH1 3.53Å; E47-R348 PolarHBondContact OE2-NH1 3.34Å; E47-R348 IonicContact OE2-NH2 2.77Å; E47-R348 PolarHBondContact OE2-NH2 2.83Å; D66-R348 VanDerWaalsContact CG-NE 3.33Å; D66-R348 WeakPolarHBondContact OD1-CG 3.26Å; D66-R348 IonicContact OD1-CZ 3.06Å; D66-R348 IonicContact OD1-NE 2.64Å; D66-R348 PolarHBondContact OD1-NE 3.25Å; D66-R348 IonicContact OD1-NH2 2.6Å; D66-R348 PolarHBondContact OD1-NH2 3.03Å; D66-R348 IonicContact OD2-CZ 2.93Å; D66-R348 IonicContact OD2-NE 2.81Å; D66-R348 PolarHBondContact OD2-NE 3.41Å; D66-R348 IonicContact OD2-NH2 3.61Å; D66-R348 PolarHBondContact OD2-NH2 3.15Å; S346-R348 VanDerWaalsContact C-N 3.28Å; S346-R348 PolarHBondContact O-N 3.42Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 2.97Å; R348-Q351 PolarHBondContact O-N 3.1Å; R348-L352 HydrophobicContact CG-CD1 4.43Å; R348-L352 VanDerWaalsContact O-CG 3.31Å; R348-L352 WeakPolarHBondContact O-CG 3.14Å; R348-L352 PolarHBondContact O-N 3.37Å
349R89.7Confident85.5Confident57 Ų5754.6 Ų54.622%0.21528%0.278CS..Hα-helixtrans-60.4-42.6-179.3-66.617572.312624.2112.2E34 S36 S346 L352 S353E34-R349 IonicContact OE1-CZ 3.68Å; E34-R349 IonicContact OE1-NH2 3.4Å; E34-R349 PolarHBondContact OE1-NH2 3.42Å; E34-R349 IonicContact OE2-CZ 2.95Å; E34-R349 IonicContact OE2-NE 3.23Å; E34-R349 IonicContact OE2-NH2 2.74Å; E34-R349 PolarHBondContact OE2-NH2 3.46Å; S36-R349 PolarHBondContact OG-NH2 2.82Å; S346-R349 PolarHBondContact O-N 3.43Å; S346-R349 WeakPolarHBondContact OG-CB 3.48Å; S346-R349 WeakPolarHBondContact OG-CD 3.44Å; S346-R349 VanDerWaalsContact OG-CG 3.24Å; S346-R349 WeakPolarHBondContact OG-CG 3.42Å; S346-R349 PolarHBondContact OG-N 3.45Å; R349-L352 PolarHBondContact O-N 3.42Å; R349-S353 PolarHBondContact O-N 3.27Å; R349-S353 PolarHBondContact O-OG 3Å; R349-S353 VanDerWaalsContact O-OG 3.14Å
350A92.9Very high84.7Confident0 Ų050.7 Ų50.70%025%0.248CC..Hα-helixtrans-61.9-44.417700000111.9F283 R285 G299 A301 S346 L347 R348 L352 S353 Y354F283-A350 HydrophobicContact CE1-CB 4.36Å; F283-A350 HydrophobicContact CZ-CB 3.76Å; R285-A350 HydrophobicContact CB-CB 4.03Å; G299-A350 WeakPolarHBondContact O-CB 3.39Å; A301-A350 HydrophobicContact CB-CB 4.08Å; A301-A350 WeakPolarHBondContact CB-O 3.17Å; S346-A350 WeakPolarHBondContact O-CB 3.46Å; S346-A350 PolarHBondContact O-N 3.35Å; L347-A350 PolarHBondContact O-N 2.8Å; R348-A350 VanDerWaalsContact C-N 3.34Å; R348-A350 PolarHBondContact O-N 2.97Å; A350-L352 VanDerWaalsContact C-N 3.29Å; A350-L352 PolarHBondContact O-N 3.39Å; A350-S353 PolarHBondContact O-N 2.91Å; A350-Y354 WeakPolarHBondContact O-CB 3.24Å; A350-Y354 PolarHBondContact O-N 2.85Å
351Q90.2Very high83.9Confident77 Ų7751.4 Ų51.436%0.3625%0.248SC..Hα-helixtrans-62-38.3177.9-75.8175.1-28.700111.9F283 L347 R348 Y354 R355F283-Q351 HydrophobicContact CE1-CG 3.91Å; F283-Q351 HydrophobicContact CE2-CG 4.13Å; F283-Q351 HydrophobicContact CZ-CB 4.39Å; F283-Q351 HydrophobicContact CZ-CG 3.69Å; L347-Q351 HydrophobicContact CD1-CG 3.97Å; L347-Q351 HydrophobicContact CG-CG 4.41Å; L347-Q351 WeakPolarHBondContact O-CB 3.43Å; L347-Q351 VanDerWaalsContact O-CG 3.28Å; L347-Q351 WeakPolarHBondContact O-CG 3.43Å; L347-Q351 PolarHBondContact O-N 3.03Å; R348-Q351 PolarHBondContact O-N 3.1Å; Q351-Y354 PolarHBondContact O-N 3.35Å; Q351-R355 WeakPolarHBondContact O-CG 3.42Å; Q351-R355 PolarHBondContact O-N 2.94Å
352L86.4Confident83.5Confident9 Ų953 Ų535%0.04725%0.25CC..Hα-helixtrans-66.3-47.4175.9-62172.8000112.5F64 D66 R348 R349 A350 Y354 R355 G356F64-L352 HydrophobicContact CD2-CB 3.54Å; F64-L352 HydrophobicContact CE2-CB 3.86Å; D66-L352 VanDerWaalsContact CA-CD2 3.5Å; D66-L352 HydrophobicContact CB-CD1 4.45Å; D66-L352 HydrophobicContact CB-CD2 4.06Å; D66-L352 WeakPolarHBondContact OD1-CD1 3.48Å; D66-L352 VanDerWaalsContact OD1-CD2 3.27Å; D66-L352 WeakPolarHBondContact OD1-CD2 3.11Å; D66-L352 WeakPolarHBondContact OD2-CD1 3.45Å; R348-L352 HydrophobicContact CG-CD1 4.43Å; R348-L352 VanDerWaalsContact O-CG 3.31Å; R348-L352 WeakPolarHBondContact O-CG 3.14Å; R348-L352 PolarHBondContact O-N 3.37Å; R349-L352 PolarHBondContact O-N 3.42Å; A350-L352 VanDerWaalsContact C-N 3.29Å; A350-L352 PolarHBondContact O-N 3.39Å; L352-Y354 VanDerWaalsContact C-N 3.25Å; L352-Y354 PolarHBondContact O-N 2.92Å; L352-R355 PolarHBondContact O-N 3.31Å; L352-G356 PolarHBondContact O-N 2.81Å
353S87.6Confident83.1Confident0 Ų052.6 Ų52.60%024%0.244CC..Hα-helixtrans-56.9-42.3175.6-63.50000111.5F64 A298 R349 A350 G356 L357F64-S353 WeakPolarHBondContact CE2-OG 3.11Å; F64-S353 WeakPolarHBondContact CZ-OG 3.47Å; A298-S353 WeakPolarHBondContact CB-OG 3.33Å; A298-S353 WeakPolarHBondContact O-CB 3.16Å; A298-S353 PolarHBondContact O-OG 3.38Å; R349-S353 PolarHBondContact O-N 3.27Å; R349-S353 PolarHBondContact O-OG 3Å; R349-S353 VanDerWaalsContact O-OG 3.14Å; A350-S353 PolarHBondContact O-N 2.91Å; S353-G356 PolarHBondContact O-N 3.11Å; S353-L357 VanDerWaalsContact O-CB 3.31Å; S353-L357 WeakPolarHBondContact O-CB 3.38Å; S353-L357 PolarHBondContact O-N 3.33Å
354Y87.3Confident82.5Confident47 Ų4751.3 Ų51.318%0.18425%0.245CC..Hα-helixtrans-67.6-40.2177.4175.2-95.4000113F283 F307 T308 A350 Q351 L352 L357 V358F283-Y354 HydrophobicContact CD2-CD1 4.12Å; F283-Y354 HydrophobicContact CD2-CG 4.07Å; F283-Y354 HydrophobicContact CE2-CD1 4.19Å; F283-Y354 HydrophobicContact CE2-CD2 4.46Å; F283-Y354 AromaticContact CE2-CG 3.85Å; F283-Y354 HydrophobicContact CE2-CG 3.85Å; F307-Y354 WeakPolarHBondContact O-CE2 3.32Å; F307-Y354 PolarHBondContact O-OH 3.01Å; T308-Y354 HydrophobicContact CG2-CE2 4.34Å; A350-Y354 WeakPolarHBondContact O-CB 3.24Å; A350-Y354 PolarHBondContact O-N 2.85Å; Q351-Y354 PolarHBondContact O-N 3.35Å; L352-Y354 VanDerWaalsContact C-N 3.25Å; L352-Y354 PolarHBondContact O-N 2.92Å; Y354-L357 HydrophobicContact CD2-CD2 3.94Å; Y354-L357 HydrophobicContact CE2-CD2 4.3Å; Y354-L357 WeakPolarHBondContact O-CB 3.5Å; Y354-L357 PolarHBondContact O-N 3.22Å; Y354-V358 HydrophobicContact CD1-CG2 4.26Å; Y354-V358 HydrophobicContact CD2-CG2 4.35Å; Y354-V358 HydrophobicContact CE1-CG2 3.72Å; Y354-V358 HydrophobicContact CE2-CG2 3.82Å; Y354-V358 VanDerWaalsContact CZ-CG2 3.45Å; Y354-V358 WeakPolarHBondContact O-CG2 3.31Å; Y354-V358 PolarHBondContact O-N 2.92Å
355R85.1Confident81.6Confident137 Ų13750.5 Ų50.552%0.51725%0.252SS..Hα-helixtrans-61.1-46.1174.2-76.3177.9-173.6-175.30.9111.4D68 Q351 L352 V358 Q359D68-R355 IonicContact OD1-NH1 3.87Å; Q351-R355 WeakPolarHBondContact O-CG 3.42Å; Q351-R355 PolarHBondContact O-N 2.94Å; L352-R355 PolarHBondContact O-N 3.31Å; R355-V358 PolarHBondContact O-N 2.65Å; R355-Q359 PolarHBondContact O-N 2.91Å
356G79.2Confident80.6Confident7 Ų751.7 Ų51.77%0.07226%0.256CS..Hα-helixtrans-56.4-53.6174.600000110.8L352 S353 V358 Q359 I360L352-G356 PolarHBondContact O-N 2.81Å; S353-G356 PolarHBondContact O-N 3.11Å; G356-V358 PolarHBondContact O-N 3.2Å; G356-Q359 PolarHBondContact O-N 2.92Å; G356-I360 WeakPolarHBondContact O-CD1 3.4Å; G356-I360 WeakPolarHBondContact O-CG1 3.42Å; G356-I360 PolarHBondContact O-N 2.78Å
357L82.3Confident79.4Confident0 Ų057.8 Ų57.80%027%0.274CS..Hα-helixtrans-48.6-55.9176.6173101.8000113.5L297 C303 T308 S353 Y354 Q359 I360 H361 W366L297-L357 HydrophobicContact CD1-CB 4.22Å; L297-L357 HydrophobicContact CD1-CD1 3.91Å; C303-L357 HydrophobicContact CB-CD1 3.51Å; C303-L357 WeakPolarHBondContact SG-CD1 3.49Å; T308-L357 HydrophobicContact CG2-CD2 4.39Å; S353-L357 VanDerWaalsContact O-CB 3.31Å; S353-L357 WeakPolarHBondContact O-CB 3.38Å; S353-L357 PolarHBondContact O-N 3.33Å; Y354-L357 HydrophobicContact CD2-CD2 3.94Å; Y354-L357 HydrophobicContact CE2-CD2 4.3Å; Y354-L357 WeakPolarHBondContact O-CB 3.5Å; Y354-L357 PolarHBondContact O-N 3.22Å; L357-Q359 VanDerWaalsContact C-N 3.27Å; L357-Q359 PolarHBondContact O-N 3.02Å; L357-I360 PolarHBondContact O-N 2.69Å; L357-H361 PolarHBondContact O-CD2 3.46Å; L357-H361 VanDerWaalsContact O-CD2 3.3Å; L357-H361 PolarHBondContact O-N 2.63Å; L357-H361 VanDerWaalsContact O-N 3.16Å; L357-W366 HydrophobicContact CD1-CH2 3.84Å; L357-W366 HydrophobicContact CD1-CZ3 4.31Å; L357-W366 HydrophobicContact CD2-CH2 3.75Å; L357-W366 HydrophobicContact CD2-CZ2 4.41Å; L357-W366 HydrophobicContact CG-CH2 3.74Å; L357-W366 HydrophobicContact CG-CZ2 4.41Å
358V79Confident78.2Confident21 Ų2159.7 Ų59.713%0.12729%0.288CS..Hα-helixtrans-58.2-43.8-176.5171.90000110.8T308 Y354 R355 G356 I360 H361 E362T308-V358 HydrophobicContact CG2-CG2 4.05Å; Y354-V358 HydrophobicContact CD1-CG2 4.26Å; Y354-V358 HydrophobicContact CD2-CG2 4.35Å; Y354-V358 HydrophobicContact CE1-CG2 3.72Å; Y354-V358 HydrophobicContact CE2-CG2 3.82Å; Y354-V358 VanDerWaalsContact CZ-CG2 3.45Å; Y354-V358 WeakPolarHBondContact O-CG2 3.31Å; Y354-V358 PolarHBondContact O-N 2.92Å; R355-V358 PolarHBondContact O-N 2.65Å; G356-V358 PolarHBondContact O-N 3.2Å; V358-I360 VanDerWaalsContact C-N 3.27Å; V358-I360 PolarHBondContact O-N 2.78Å; V358-H361 PolarHBondContact O-N 3.36Å; V358-E362 HydrophobicContact CG1-CG 4.36Å; V358-E362 WeakPolarHBondContact O-CB 3.46Å; V358-E362 WeakPolarHBondContact O-CG 3.32Å; V358-E362 PolarHBondContact O-N 3.21Å
359Q77.2Confident76.5Confident50 Ų5055.2 Ų55.223%0.23427%0.274CS..Hα-helixtrans-63.1-34.4-178.2-169.2-174.3-16.800113T73 R355 G356 L357T73-Q359 VanDerWaalsContact CG2-CD 3.42Å; R355-Q359 PolarHBondContact O-N 2.91Å; G356-Q359 PolarHBondContact O-N 2.92Å; L357-Q359 VanDerWaalsContact C-N 3.27Å; L357-Q359 PolarHBondContact O-N 3.02Å
360I72.7Confident74.8Confident25 Ų2555.7 Ų55.713%0.12828%0.284CS..Hα-helixtrans-74.7-43.9-177.4-59.3157.5000110.8I62 Q80 G356 L357 V358 E363 S364I62-I360 HydrophobicContact CB-CD1 4.25Å; I62-I360 HydrophobicContact CD1-CD1 4.27Å; I62-I360 HydrophobicContact CG1-CD1 4.04Å; I62-I360 HydrophobicContact CG2-CD1 3.36Å; Q80-I360 VanDerWaalsContact OE1-CG1 3.22Å; G356-I360 WeakPolarHBondContact O-CD1 3.4Å; G356-I360 WeakPolarHBondContact O-CG1 3.42Å; G356-I360 PolarHBondContact O-N 2.78Å; L357-I360 PolarHBondContact O-N 2.69Å; V358-I360 VanDerWaalsContact C-N 3.27Å; V358-I360 PolarHBondContact O-N 2.78Å; I360-E363 PolarHBondContact O-N 3.02Å; I360-S364 PolarHBondContact O-N 2.92Å; I360-S364 VanDerWaalsContact O-N 3.1Å; I360-S364 PolarHBondContact O-OG 3.02Å
361H71.8Confident73Confident37 Ų3765.5 Ų65.517%0.17133%0.327CS..Hα-helixtrans-80-22.6-175.4-74.5-72.2000113.5L357 V358 E363 G365 W366L357-H361 PolarHBondContact O-CD2 3.46Å; L357-H361 VanDerWaalsContact O-CD2 3.3Å; L357-H361 PolarHBondContact O-N 2.63Å; L357-H361 VanDerWaalsContact O-N 3.16Å; V358-H361 PolarHBondContact O-N 3.36Å; H361-E363 PolarHBondContact O-N 3.49Å; H361-G365 PolarHBondContact ND1-O 3.17Å; H361-G365 WeakPolarHBondContact O-CA 3.29Å; H361-G365 PolarHBondContact O-N 2.76Å; H361-W366 HydrophobicContact CB-CD2 3.87Å; H361-W366 HydrophobicContact CB-CG 4.28Å; H361-W366 HydrophobicContact CB-CH2 4.2Å; H361-W366 HydrophobicContact CB-CZ2 3.46Å; H361-W366 VanDerWaalsContact CB-CZ2 3.46Å; H361-W366 AromaticContact CD2-CH2 3.43Å; H361-W366 VanDerWaalsContact CD2-CH2 3.43Å; H361-W366 WeakPolarHBondContact CD2-CH2 3.36Å; H361-W366 AromaticContact CD2-CZ2 3.64Å; H361-W366 AromaticContact CD2-CZ3 3.68Å; H361-W366 AromaticContact CE1-CE3 3.96Å; H361-W366 AromaticContact CG-CD2 3.74Å; H361-W366 AromaticContact CG-CE2 3.59Å; H361-W366 AromaticContact CG-CE3 3.92Å; H361-W366 AromaticContact CG-CH2 3.8Å; H361-W366 AromaticContact CG-CZ2 3.58Å; H361-W366 AromaticContact CG-CZ3 3.97Å; H361-W366 AromaticContact ND1-CD2 3.82Å; H361-W366 AromaticContact ND1-CE3 3.85Å; H361-W366 AromaticContact NE2-CH2 3.99Å; H361-W366 AromaticContact NE2-CZ3 3.77Å
362E71.7Confident71.2Confident109 Ų10966.1 Ų66.151%0.50935%0.345SS..Hα-helixtrans-57-30.4168.4-85.1-178.7176.700112.3Q310 V358Q310-E362 VanDerWaalsContact NE2-CG 3.29Å; Q310-E362 PolarHBondContact NE2-OE1 2.9Å; V358-E362 HydrophobicContact CG1-CG 4.36Å; V358-E362 WeakPolarHBondContact O-CB 3.46Å; V358-E362 WeakPolarHBondContact O-CG 3.32Å; V358-E362 PolarHBondContact O-N 3.21Å
363E63Low69.7Low105 Ų10569.8 Ų69.849%0.49137%0.365SS..Hα-helixtrans-96.4-42.9-179.2-72.9167.3-157.800113.3R77 I360 H361R77-E363 VanDerWaalsContact CD-OE2 3.27Å; R77-E363 WeakPolarHBondContact CD-OE2 3.41Å; R77-E363 IonicContact CZ-OE1 2.89Å; R77-E363 IonicContact CZ-OE2 3.98Å; R77-E363 IonicContact NE-OE1 3.19Å; R77-E363 PolarHBondContact NE-OE1 3.37Å; R77-E363 IonicContact NE-OE2 2.69Å; R77-E363 PolarHBondContact NE-OE2 3.12Å; R77-E363 IonicContact NH1-OE1 3.68Å; R77-E363 IonicContact NH2-OE1 2.63Å; R77-E363 PolarHBondContact NH2-OE1 2.8Å; I360-E363 PolarHBondContact O-N 3.02Å; H361-E363 PolarHBondContact O-N 3.49Å
364S65.8Low67.5Low95 Ų9574.3 Ų74.366%0.66441%0.412SS*.Hα-helixtrans-92.9-11-171.7-57.20000113.8I360I360-S364 PolarHBondContact O-N 2.92Å; I360-S364 VanDerWaalsContact O-N 3.1Å; I360-S364 PolarHBondContact O-OG 3.02Å
365G65Low66.5Low39 Ų3975.7 Ų75.740%0.40242%0.423SS..  trans76.2169.5-170.800000113.2H361H361-G365 PolarHBondContact ND1-O 3.17Å; H361-G365 WeakPolarHBondContact O-CA 3.29Å; H361-G365 PolarHBondContact O-N 2.76Å
366W72.2Confident65.5Low50 Ų5072.5 Ų72.519%0.18942%0.418CS..  trans-94.3132176.7-7395.2000110.9E305 T308 L357 H361E305-W366 HydrophobicContact CB-CB 4.22Å; E305-W366 HydrophobicContact CB-CD2 3.53Å; E305-W366 HydrophobicContact CB-CE3 3.71Å; E305-W366 HydrophobicContact CB-CG 3.74Å; E305-W366 HydrophobicContact CB-CZ3 4.32Å; E305-W366 HydrophobicContact CG-CB 4.09Å; E305-W366 HydrophobicContact CG-CD2 3.85Å; E305-W366 HydrophobicContact CG-CG 3.58Å; E305-W366 WeakPolarHBondContact OE1-CB 3.37Å; E305-W366 VanDerWaalsContact OE1-CD1 3.26Å; E305-W366 WeakPolarHBondContact OE2-CB 3.49Å; T308-W366 HydrophobicContact CG2-CH2 3.84Å; T308-W366 HydrophobicContact CG2-CZ2 3.29Å; L357-W366 HydrophobicContact CD1-CH2 3.84Å; L357-W366 HydrophobicContact CD1-CZ3 4.31Å; L357-W366 HydrophobicContact CD2-CH2 3.75Å; L357-W366 HydrophobicContact CD2-CZ2 4.41Å; L357-W366 HydrophobicContact CG-CH2 3.74Å; L357-W366 HydrophobicContact CG-CZ2 4.41Å; H361-W366 HydrophobicContact CB-CD2 3.87Å; H361-W366 HydrophobicContact CB-CG 4.28Å; H361-W366 HydrophobicContact CB-CH2 4.2Å; H361-W366 HydrophobicContact CB-CZ2 3.46Å; H361-W366 VanDerWaalsContact CB-CZ2 3.46Å; H361-W366 AromaticContact CD2-CH2 3.43Å; H361-W366 VanDerWaalsContact CD2-CH2 3.43Å; H361-W366 WeakPolarHBondContact CD2-CH2 3.36Å; H361-W366 AromaticContact CD2-CZ2 3.64Å; H361-W366 AromaticContact CD2-CZ3 3.68Å; H361-W366 AromaticContact CE1-CE3 3.96Å; H361-W366 AromaticContact CG-CD2 3.74Å; H361-W366 AromaticContact CG-CE2 3.59Å; H361-W366 AromaticContact CG-CE3 3.92Å; H361-W366 AromaticContact CG-CH2 3.8Å; H361-W366 AromaticContact CG-CZ2 3.58Å; H361-W366 AromaticContact CG-CZ3 3.97Å; H361-W366 AromaticContact ND1-CD2 3.82Å; H361-W366 AromaticContact ND1-CE3 3.85Å; H361-W366 AromaticContact NE2-CH2 3.99Å; H361-W366 AromaticContact NE2-CZ3 3.77Å
367Y66.9Low64.8Low172 Ų17276.1 Ų76.168%0.67544%0.438SS*.  trans-96.2113.3169.8178.8-99.9000109.3P369 P370Y367-P369 HydrophobicContact CD1-CG 4.28Å; Y367-P369 HydrophobicContact CE1-CB 3.96Å; Y367-P369 HydrophobicContact CE1-CG 4.08Å; Y367-P369 WeakPolarHBondContact O-CD 3.27Å; Y367-P370 WeakPolarHBondContact OH-CD 3.32Å
368T65.3Low63.7Low102 Ų10280.6 Ų80.663%0.62646%0.463SS*.  trans-93.4111.3171.3-60.30000108.5
369P55.7Low62.8Low21 Ų2184.3 Ų84.314%0.13648%0.484CS..  trans-60.5144.6-178.9-13.121.7000110.6Y295 K331 Y367Y295-P369 VanDerWaalsContact OH-CG 3.23Å; Y295-P369 WeakPolarHBondContact OH-CG 3.48Å; K331-P369 PolarHBondContact NZ-O 2.88Å; Y367-P369 HydrophobicContact CD1-CG 4.28Å; Y367-P369 HydrophobicContact CE1-CB 3.96Å; Y367-P369 HydrophobicContact CE1-CG 4.08Å; Y367-P369 WeakPolarHBondContact O-CD 3.27Å
370P54.1Low61.8Low67 Ų6786.6 Ų86.644%0.43550%0.501SS..  trans-59.3155.7179.720.3-28.6000112.1K331 Y367 A372 D373K331-P370 PolarHBondContact NZ-O 3.27Å; Y367-P370 WeakPolarHBondContact OH-CD 3.32Å; P370-A372 PolarHBondContact O-N 3.11Å; P370-A372 VanDerWaalsContact O-N 3.08Å; P370-D373 PolarHBondContact O-N 3.07Å
371K53.6Low61.1Low205 Ų20591 Ų9189%0.89153%0.528SS*.G310 helixtrans-60.8-18.6-176.6-70.2-173.8178.1-1760114.1
372A53.8Low60.2Low91 Ų9195.2 Ų95.275%0.75256%0.555SS**G310 helixtrans-82.4-5.5-175.200000114.9P370P370-A372 PolarHBondContact O-N 3.11Å; P370-A372 VanDerWaalsContact O-N 3.08Å
373D53.5Low59.3Low85 Ų8594 Ų9446%0.45556%0.559SS.*G310 helixtrans-93.4-3.5-174.6-77.4-27.7000115P370P370-D373 PolarHBondContact O-N 3.07Å
374G42.4Very low58.9Low96 Ų9693 Ų9399%0.9957%0.565SS**  trans-113.10168.900000109.6

Retrieved 374 of 374 residues in 685.2 ms (Link to these results)

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