A0A077ZAS0_TRITR Loading...

Degenerin unc 8

AlphaFold DB , UniProt , Accession A0A077ZAS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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
1M37.2Very low56.8Low228 Ų228125.6 Ų125.6100%1.12362%0.621SS**  021.10-71.6-173.8174.500114.4
2V41.1Very low59.1Low120 Ų120129.9 Ų129.973%0.72763%0.625SS**  trans-90-22.6-166.4-176.10000114.8F4 Q5V2-F4 VanDerWaalsContact C-N 3.32Å; V2-F4 PolarHBondContact O-N 3.32Å; V2-Q5 PolarHBondContact O-N 3.18Å
3T48.4Very low61Low120 Ų120129.6 Ų129.674%0.73661%0.614SS**Hα-helixtrans-69.4-19.1-171.148.60000115.6
4F38.3Very low62.7Low166 Ų166123.9 Ų123.973%0.72859%0.591SS**Hα-helixtrans-83.7-16.6-178.8-94-87.1000114.8V2V2-F4 VanDerWaalsContact C-N 3.32Å; V2-F4 PolarHBondContact O-N 3.32Å
5Q42.2Very low64.3Low144 Ų144124.6 Ų124.667%0.67359%0.591SS**Hα-helixtrans-82.6-42.1178.1-84.4175.1-7200112.6V2 N7 K8 T9V2-Q5 PolarHBondContact O-N 3.18Å; Q5-N7 PolarHBondContact O-N 3.41Å; Q5-K8 WeakPolarHBondContact O-CB 3.21Å; Q5-K8 PolarHBondContact O-N 3.15Å; Q5-T9 PolarHBondContact O-N 2.84Å; Q5-T9 PolarHBondContact O-OG1 2.99Å
6D56.4Low65.7Low69 Ų69123.1 Ų123.137%0.36959%0.587SS.*Hα-helixtrans-63-38.6-178.6174.750.2000113.2K8 T9 T10 K505D6-K8 PolarHBondContact O-N 3Å; D6-T9 WeakPolarHBondContact CA-OG1 3.21Å; D6-T9 PolarHBondContact O-N 3.23Å; D6-T9 PolarHBondContact O-OG1 2.93Å; D6-T10 WeakPolarHBondContact O-CB 2.8Å; D6-T10 PolarHBondContact O-N 3.07Å; D6-T10 PolarHBondContact O-OG1 3.25Å; D6-T10 PolarHBondContact OD1-OG1 2.81Å; D6-K505 VanDerWaalsContact OD2-CE 3.32Å; D6-K505 WeakPolarHBondContact OD2-CE 3.32Å; D6-K505 IonicContact OD2-NZ 3.24Å
7N60.3Low66.9Low109 Ų109117.6 Ų117.658%0.58356%0.562SS**Hα-helixtrans-65.5-31.6176.8-155.83.8000111.4Q5 R11Q5-N7 PolarHBondContact O-N 3.41Å; N7-R11 WeakPolarHBondContact O-CB 3.49Å; N7-R11 PolarHBondContact O-N 3.47Å; N7-R11 VanDerWaalsContact O-N 3.1Å
8K69.2Low68Low140 Ų140115.9 Ų115.961%0.60956%0.556SS**Hα-helixtrans-73.3-41174.5-72.5179.6179.1177.40112.4Q5 D6 R12Q5-K8 WeakPolarHBondContact O-CB 3.21Å; Q5-K8 PolarHBondContact O-N 3.15Å; D6-K8 PolarHBondContact O-N 3Å; K8-R12 VanDerWaalsContact O-CG 3.29Å; K8-R12 WeakPolarHBondContact O-CG 3.37Å; K8-R12 PolarHBondContact O-N 3.1Å; K8-R12 VanDerWaalsContact O-N 3.1Å
9T77.3Confident68.9Low66 Ų66113.4 Ų113.441%0.40555%0.545SS..Hα-helixtrans-66.8-45.1177.449.70000111.3Q5 D6 R12 R13Q5-T9 PolarHBondContact O-N 2.84Å; Q5-T9 PolarHBondContact O-OG1 2.99Å; D6-T9 WeakPolarHBondContact CA-OG1 3.21Å; D6-T9 PolarHBondContact O-N 3.23Å; D6-T9 PolarHBondContact O-OG1 2.93Å; T9-R12 WeakPolarHBondContact O-CB 3.49Å; T9-R12 PolarHBondContact O-N 2.88Å; T9-R13 PolarHBondContact O-N 3.28Å
10T74.8Confident69.8Low21 Ų21111.8 Ų111.813%0.12954%0.537CS..Hα-helixtrans-64.7-44.3177.8-60.80000111.8D6 R12 R13 V14 K505D6-T10 WeakPolarHBondContact O-CB 2.8Å; D6-T10 PolarHBondContact O-N 3.07Å; D6-T10 PolarHBondContact O-OG1 3.25Å; D6-T10 PolarHBondContact OD1-OG1 2.81Å; T10-R12 PolarHBondContact O-N 2.75Å; T10-R13 PolarHBondContact O-N 2.95Å; T10-R13 VanDerWaalsContact O-N 3.11Å; T10-V14 HydrophobicContact CG2-CG2 4.32Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.03Å; T10-K505 HydrophobicContact CG2-CD 4.12Å; T10-K505 WeakPolarHBondContact OG1-CE 3.25Å; T10-K505 PolarHBondContact OG1-NZ 3.09Å
11R79.9Confident70.7Confident199 Ų199108.1 Ų108.175%0.75152%0.519SS*.Hα-helixtrans-61.3-32.4176.4-170.7176-177-174.12.1112.3N7 K15N7-R11 WeakPolarHBondContact O-CB 3.49Å; N7-R11 PolarHBondContact O-N 3.47Å; N7-R11 VanDerWaalsContact O-N 3.1Å; R11-K15 VanDerWaalsContact O-CB 3.32Å; R11-K15 WeakPolarHBondContact O-CB 3.45Å; R11-K15 PolarHBondContact O-N 2.92Å
12R83.9Confident73.1Confident177 Ų17797.7 Ų97.767%0.66847%0.468SS*.Hα-helixtrans-67.6-47.5170.7-74.8171.8177.6-173.6-2.1112K8 T9 T10 V14 K15 N16K8-R12 VanDerWaalsContact O-CG 3.29Å; K8-R12 WeakPolarHBondContact O-CG 3.37Å; K8-R12 PolarHBondContact O-N 3.1Å; K8-R12 VanDerWaalsContact O-N 3.1Å; T9-R12 WeakPolarHBondContact O-CB 3.49Å; T9-R12 PolarHBondContact O-N 2.88Å; T10-R12 PolarHBondContact O-N 2.75Å; R12-V14 PolarHBondContact O-N 2.79Å; R12-K15 PolarHBondContact O-N 2.96Å; R12-N16 VanDerWaalsContact O-CG 3.29Å; R12-N16 PolarHBondContact O-N 3.34Å; R12-N16 PolarHBondContact O-OD1 3.36Å
13R84.5Confident75.2Confident126 Ų12696.3 Ų96.348%0.47546%0.457SS..Hα-helixtrans-57.1-48.3176.4-72.6-179177163.6-1.4112T9 T10 K15 N16 L17 L501T9-R13 PolarHBondContact O-N 3.28Å; T10-R13 PolarHBondContact O-N 2.95Å; T10-R13 VanDerWaalsContact O-N 3.11Å; R13-K15 PolarHBondContact O-N 3.28Å; R13-N16 PolarHBondContact O-N 3.1Å; R13-L17 PolarHBondContact O-N 3.01Å; R13-L501 HydrophobicContact CB-CD1 4.21Å
14V85Confident77Confident49 Ų4999 Ų9930%0.29745%0.454SS..Hα-helixtrans-59.8-45.4175.8167.90000111.5T10 R12 N16 L17 L18 F498 L501T10-V14 HydrophobicContact CG2-CG2 4.32Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.03Å; R12-V14 PolarHBondContact O-N 2.79Å; V14-N16 VanDerWaalsContact C-N 3.32Å; V14-N16 PolarHBondContact O-N 3.39Å; V14-L17 PolarHBondContact O-N 2.88Å; V14-L18 HydrophobicContact CG1-CD1 4.1Å; V14-L18 WeakPolarHBondContact O-CG 3.19Å; V14-L18 PolarHBondContact O-N 3.43Å; V14-L18 VanDerWaalsContact O-N 3.09Å; V14-F498 HydrophobicContact CB-CE1 4.47Å; V14-F498 HydrophobicContact CG1-CE1 4.06Å; V14-F498 HydrophobicContact CG2-CE1 4.24Å; V14-L501 HydrophobicContact CG2-CD1 4.41Å
15K85.6Confident79.4Confident135 Ų13591.6 Ų91.659%0.58742%0.422SS*.Hα-helixtrans-61.6-40.8176.8-170.3-173.6178.9-164.30111.8R11 R12 R13 L18 L19R11-K15 VanDerWaalsContact O-CB 3.32Å; R11-K15 WeakPolarHBondContact O-CB 3.45Å; R11-K15 PolarHBondContact O-N 2.92Å; R12-K15 PolarHBondContact O-N 2.96Å; R13-K15 PolarHBondContact O-N 3.28Å; K15-L18 PolarHBondContact O-N 3.13Å; K15-L19 HydrophobicContact CG-CD1 4.17Å; K15-L19 WeakPolarHBondContact O-CG 3.34Å; K15-L19 PolarHBondContact O-N 2.04Å
16N86.5Confident81.7Confident100 Ų10087.5 Ų87.554%0.53541%0.407SS..Hα-helixtrans-66.2-44.8179.5-70.810.5000111.6R12 R13 V14 L18 L19 E20R12-N16 VanDerWaalsContact O-CG 3.29Å; R12-N16 PolarHBondContact O-N 3.34Å; R12-N16 PolarHBondContact O-OD1 3.36Å; R13-N16 PolarHBondContact O-N 3.1Å; V14-N16 VanDerWaalsContact C-N 3.32Å; V14-N16 PolarHBondContact O-N 3.39Å; N16-L18 VanDerWaalsContact C-N 3.32Å; N16-L18 PolarHBondContact O-N 3.43Å; N16-L19 PolarHBondContact O-N 2.92Å; N16-E20 WeakPolarHBondContact O-CB 3.22Å; N16-E20 PolarHBondContact O-N 3.4Å
17L87.1Confident83.3Confident30 Ų3084.4 Ų84.416%0.15739%0.391CS..Hα-helixtrans-58.4-42.8174.2-77.3178.1000112.3R13 V14 E20 F21 L494 E497 F498 L501R13-L17 PolarHBondContact O-N 3.01Å; V14-L17 PolarHBondContact O-N 2.88Å; L17-E20 PolarHBondContact O-N 2.79Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.11Å; L17-F21 PolarHBondContact O-N 3.3Å; L17-L494 HydrophobicContact CB-CD1 4.42Å; L17-E497 HydrophobicContact CD1-CB 4.22Å; L17-E497 HydrophobicContact CD2-CB 4.16Å; L17-F498 HydrophobicContact CB-CZ 4.47Å; L17-F498 HydrophobicContact CD1-CD1 4.26Å; L17-F498 HydrophobicContact CD1-CE1 4.15Å; L17-L501 HydrophobicContact CD1-CD1 3.4Å; L17-L501 VanDerWaalsContact CD1-CD1 3.4Å; L17-L501 HydrophobicContact CD1-CG 4.25Å; L17-L501 HydrophobicContact CG-CD1 4.49Å
18L87Confident84.8Confident88 Ų8885.2 Ų85.246%0.46139%0.391SS..Hα-helixtrans-67.4-34.7178.6-70.5173000112.7V14 K15 N16 S22 F498V14-L18 HydrophobicContact CG1-CD1 4.1Å; V14-L18 WeakPolarHBondContact O-CG 3.19Å; V14-L18 PolarHBondContact O-N 3.43Å; V14-L18 VanDerWaalsContact O-N 3.09Å; K15-L18 PolarHBondContact O-N 3.13Å; N16-L18 VanDerWaalsContact C-N 3.32Å; N16-L18 PolarHBondContact O-N 3.43Å; L18-S22 WeakPolarHBondContact O-CB 3.27Å; L18-S22 PolarHBondContact O-N 3.08Å; L18-F498 HydrophobicContact CD2-CE2 4.16Å; L18-F498 HydrophobicContact CD2-CZ 3.78Å; L18-F498 HydrophobicContact CG-CZ 4Å
19L85.2Confident85.8Confident67 Ų6779.2 Ų79.235%0.35137%0.369SS..Hα-helixtrans-70.8-46.2173.7-72.4170.6000111.5K15 N16 F21 S22 D23K15-L19 HydrophobicContact CG-CD1 4.17Å; K15-L19 WeakPolarHBondContact O-CG 3.34Å; K15-L19 PolarHBondContact O-N 2.04Å; N16-L19 PolarHBondContact O-N 2.92Å; L19-F21 VanDerWaalsContact C-N 3.31Å; L19-F21 PolarHBondContact O-N 2.84Å; L19-S22 CarbonylContact O-C 3.57Å; L19-S22 WeakPolarHBondContact O-CA 3.28Å; L19-S22 WeakPolarHBondContact O-CB 3.03Å; L19-S22 PolarHBondContact O-N 3.32Å; L19-D23 PolarHBondContact O-N 2.86Å
20E85.7Confident86.4Confident82 Ų8278.5 Ų78.538%0.38336%0.362SS..Hα-helixtrans-61.6-38.8177.4-176.7174-170.400112.1N16 L17 R24N16-E20 WeakPolarHBondContact O-CB 3.22Å; N16-E20 PolarHBondContact O-N 3.4Å; L17-E20 PolarHBondContact O-N 2.79Å; E20-R24 WeakPolarHBondContact O-CB 3.47Å; E20-R24 WeakPolarHBondContact O-CG 3.16Å; E20-R24 PolarHBondContact O-N 2.82Å; E20-R24 IonicContact OE1-CZ 2.97Å; E20-R24 IonicContact OE1-NH1 2.97Å; E20-R24 PolarHBondContact OE1-NH1 2.98Å; E20-R24 IonicContact OE1-NH2 3.97Å; E20-R24 PolarHBondContact OE1-NH2 2.95Å
21F88.4Confident87.1Confident34 Ų3478.8 Ų78.815%0.14936%0.364CS..Hα-helixtrans-65.6-45.5169.9177.9-98.3000111.7L17 L19 D23 R24 T25 I30 E490 V491 L494L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.11Å; L17-F21 PolarHBondContact O-N 3.3Å; L19-F21 VanDerWaalsContact C-N 3.31Å; L19-F21 PolarHBondContact O-N 2.84Å; F21-D23 PolarHBondContact O-N 3.26Å; F21-R24 PolarHBondContact O-N 2.86Å; F21-R24 VanDerWaalsContact O-N 3.16Å; F21-T25 HydrophobicContact CD1-CG2 4.29Å; F21-T25 HydrophobicContact CE1-CG2 3.92Å; F21-T25 HydrophobicContact CZ-CG2 4.22Å; F21-T25 WeakPolarHBondContact CZ-OG1 3.45Å; F21-T25 VanDerWaalsContact O-CB 3.29Å; F21-T25 WeakPolarHBondContact O-CB 2.98Å; F21-T25 WeakPolarHBondContact O-CG2 3.4Å; F21-T25 PolarHBondContact O-N 2.89Å; F21-I30 HydrophobicContact CE1-CD1 4.45Å; F21-E490 HydrophobicContact CE2-CB 4Å; F21-V491 HydrophobicContact CE2-CG2 4.08Å; F21-V491 HydrophobicContact CZ-CG2 3.75Å; F21-L494 HydrophobicContact CB-CD1 4.05Å; F21-L494 HydrophobicContact CB-CD2 4.15Å; F21-L494 HydrophobicContact CD1-CD2 3.93Å; F21-L494 HydrophobicContact CD2-CB 4.01Å; F21-L494 HydrophobicContact CD2-CD1 4.47Å; F21-L494 HydrophobicContact CD2-CD2 3.71Å; F21-L494 HydrophobicContact CD2-CG 4.26Å; F21-L494 HydrophobicContact CE1-CD2 4.26Å; F21-L494 HydrophobicContact CE2-CB 4.34Å; F21-L494 HydrophobicContact CE2-CD2 4.04Å; F21-L494 HydrophobicContact CG-CD1 4.38Å; F21-L494 HydrophobicContact CG-CD2 3.64Å; F21-L494 HydrophobicContact CG-CG 4.42Å; F21-L494 HydrophobicContact CZ-CD2 4.31Å
22S87.8Confident87.7Confident9 Ų976.2 Ų76.26%0.06336%0.355CS..Hα-helixtrans-60.2-33.4178.3-173.60000112.8L18 L19 I30 P31 G34L18-S22 WeakPolarHBondContact O-CB 3.27Å; L18-S22 PolarHBondContact O-N 3.08Å; L19-S22 CarbonylContact O-C 3.57Å; L19-S22 WeakPolarHBondContact O-CA 3.28Å; L19-S22 WeakPolarHBondContact O-CB 3.03Å; L19-S22 PolarHBondContact O-N 3.32Å; S22-I30 PolarHBondContact OG-O 3.28Å; S22-I30 VanDerWaalsContact OG-O 3.07Å; S22-P31 WeakPolarHBondContact O-CA 3.33Å; S22-P31 WeakPolarHBondContact O-CB 3.46Å; S22-P31 WeakPolarHBondContact O-CG 3.37Å; S22-G34 WeakPolarHBondContact OG-CA 3.44Å
23D85.9Confident88Confident91 Ų9170.5 Ų70.549%0.48734%0.337SS..Hα-helixtrans-80-24.3178.7-70.9-25000113L19 F21L19-D23 PolarHBondContact O-N 2.86Å; F21-D23 PolarHBondContact O-N 3.26Å
24R85.6Confident88.1Confident178 Ų17866 Ų6667%0.67233%0.329SS*.Hα-helixtrans-102.1-20.9-177.8-70.8-169.8-174.5137.216.8115.3E20 F21E20-R24 WeakPolarHBondContact O-CB 3.47Å; E20-R24 WeakPolarHBondContact O-CG 3.16Å; E20-R24 PolarHBondContact O-N 2.82Å; E20-R24 IonicContact OE1-CZ 2.97Å; E20-R24 IonicContact OE1-NH1 2.97Å; E20-R24 PolarHBondContact OE1-NH1 2.98Å; E20-R24 IonicContact OE1-NH2 3.97Å; E20-R24 PolarHBondContact OE1-NH2 2.95Å; F21-R24 PolarHBondContact O-N 2.86Å; F21-R24 VanDerWaalsContact O-N 3.16Å
25T90.3Very high88.2Confident9 Ų968.4 Ų68.46%0.05534%0.338CS..  trans-70.3140.1-168.5-1720000112.7F21 A27 I30 P31 E490F21-T25 HydrophobicContact CD1-CG2 4.29Å; F21-T25 HydrophobicContact CE1-CG2 3.92Å; F21-T25 HydrophobicContact CZ-CG2 4.22Å; F21-T25 WeakPolarHBondContact CZ-OG1 3.45Å; F21-T25 VanDerWaalsContact O-CB 3.29Å; F21-T25 WeakPolarHBondContact O-CB 2.98Å; F21-T25 WeakPolarHBondContact O-CG2 3.4Å; F21-T25 PolarHBondContact O-N 2.89Å; T25-A27 HydrophobicContact CG2-CB 4.07Å; T25-A27 PolarHBondContact O-N 3.21Å; T25-A27 PolarHBondContact OG1-N 2.82Å; T25-I30 HydrophobicContact CG2-CB 3.9Å; T25-I30 HydrophobicContact CG2-CG2 3.87Å; T25-P31 HydrophobicContact CG2-CG 4.24Å; T25-E490 WeakPolarHBondContact CA-OE2 3.35Å; T25-E490 WeakPolarHBondContact CB-OE2 3.39Å; T25-E490 PolarHBondContact OG1-OE2 3.01Å
26T89.4Confident88.4Confident58 Ų5863.2 Ų63.236%0.35632%0.321SS..  trans-74-11.3171.945.10000113.2H28 T487 E490T26-H28 PolarHBondContact O-N 3.1Å; T26-T487 WeakPolarHBondContact OG1-CA 3.42Å; T26-T487 WeakPolarHBondContact OG1-CB 3.4Å; T26-T487 PolarHBondContact OG1-OG1 3.09Å; T26-E490 WeakPolarHBondContact CB-OE1 3.41Å; T26-E490 VanDerWaalsContact CG2-OE1 3.23Å; T26-E490 WeakPolarHBondContact CG2-OE1 3.48Å; T26-E490 PolarHBondContact N-OE1 3.33Å; T26-E490 PolarHBondContact N-OE2 3.12Å; T26-E490 VanDerWaalsContact OG1-CD 3.26Å; T26-E490 PolarHBondContact OG1-OE1 2.77Å; T26-E490 PolarHBondContact OG1-OE2 2.91Å
27A90.8Very high88.4Confident5 Ų570 Ų704%0.04134%0.339CS..SBendtrans-60.7127.917600000111.9T25 I30 P31 T487T25-A27 HydrophobicContact CG2-CB 4.07Å; T25-A27 PolarHBondContact O-N 3.21Å; T25-A27 PolarHBondContact OG1-N 2.82Å; A27-I30 HydrophobicContact CB-CD1 3.73Å; A27-I30 HydrophobicContact CB-CG1 4.12Å; A27-P31 WeakPolarHBondContact O-CD 3.49Å; A27-T487 HydrophobicContact CB-CG2 3.79Å
28H90.4Very high88.7Confident125 Ų12571.3 Ų71.358%0.57935%0.351SS*.SBendtrans-68.4145179.5-70.3174.5000111.7T26 I30 M481T26-H28 PolarHBondContact O-N 3.1Å; H28-I30 PolarHBondContact O-N 3.17Å; H28-M481 PolarHBondContact N-O 3.15Å
29G90Very high88.8Confident15 Ų1576.8 Ų76.816%0.15537%0.371CS..SBendtrans79.3-35.718000000115.2R32 I33G29-R32 WeakPolarHBondContact O-CB 3.36Å; G29-R32 PolarHBondContact O-N 3.25Å; G29-I33 PolarHBondContact O-N 3.16Å; G29-I33 VanDerWaalsContact O-N 3.14Å
30I90.9Very high89.1Confident51 Ų5184.1 Ų84.126%0.26239%0.394SS..Hα-helixtrans-57.3-49.7179.6-57.6-174.6000111.9F21 S22 T25 A27 H28 R32 I33 G34F21-I30 HydrophobicContact CE1-CD1 4.45Å; S22-I30 PolarHBondContact OG-O 3.28Å; S22-I30 VanDerWaalsContact OG-O 3.07Å; T25-I30 HydrophobicContact CG2-CB 3.9Å; T25-I30 HydrophobicContact CG2-CG2 3.87Å; A27-I30 HydrophobicContact CB-CD1 3.73Å; A27-I30 HydrophobicContact CB-CG1 4.12Å; H28-I30 PolarHBondContact O-N 3.17Å; I30-R32 PolarHBondContact O-N 2.88Å; I30-I33 WeakPolarHBondContact O-CB 3.46Å; I30-I33 PolarHBondContact O-N 2.82Å; I30-G34 PolarHBondContact O-N 2.89Å; I30-G34 VanDerWaalsContact O-N 3.13Å
31P90.3Very high89.4Confident26 Ų2683.7 Ų83.717%0.16939%0.392CS..Hα-helixtrans-58.2-31.5175.2-2432.9000114S22 T25 A27 I33 G34 M35S22-P31 WeakPolarHBondContact O-CA 3.33Å; S22-P31 WeakPolarHBondContact O-CB 3.46Å; S22-P31 WeakPolarHBondContact O-CG 3.37Å; T25-P31 HydrophobicContact CG2-CG 4.24Å; A27-P31 WeakPolarHBondContact O-CD 3.49Å; P31-I33 VanDerWaalsContact C-N 3.33Å; P31-I33 PolarHBondContact O-N 3.42Å; P31-G34 PolarHBondContact O-N 3.15Å; P31-M35 HydrophobicContact CB-CE 4.24Å; P31-M35 VanDerWaalsContact O-CB 3.29Å; P31-M35 WeakPolarHBondContact O-CB 3.36Å; P31-M35 WeakPolarHBondContact O-CG 3.39Å; P31-M35 PolarHBondContact O-N 3.43Å
32R90.8Very high89.5Confident145 Ų14582.7 Ų82.755%0.54739%0.391SS..Hα-helixtrans-72.2-26.5177.4-59.3-59.7-175.5-175.1-1.5112.9G29 I30 A36 W45G29-R32 WeakPolarHBondContact O-CB 3.36Å; G29-R32 PolarHBondContact O-N 3.25Å; I30-R32 PolarHBondContact O-N 2.88Å; R32-A36 PolarHBondContact O-N 2.78Å; R32-W45 HydrophobicContact CB-CB 4.2Å; R32-W45 HydrophobicContact CB-CD2 3.56Å; R32-W45 HydrophobicContact CB-CE3 4.1Å; R32-W45 HydrophobicContact CB-CG 3.59Å; R32-W45 HydrophobicContact CB-CZ2 4.45Å; R32-W45 HydrophobicContact CG-CD2 4.13Å; R32-W45 HydrophobicContact CG-CE3 4.36Å; R32-W45 HydrophobicContact CG-CH2 4.48Å; R32-W45 HydrophobicContact CG-CZ2 4.24Å
33I91.4Very high89.8Confident58 Ų5885 Ų8530%0.29741%0.411SS..Hα-helixtrans-74.4-44.4172.1-61.3168.5000110.1G29 I30 P31 W45 V49G29-I33 PolarHBondContact O-N 3.16Å; G29-I33 VanDerWaalsContact O-N 3.14Å; I30-I33 WeakPolarHBondContact O-CB 3.46Å; I30-I33 PolarHBondContact O-N 2.82Å; P31-I33 VanDerWaalsContact C-N 3.33Å; P31-I33 PolarHBondContact O-N 3.42Å; I33-W45 HydrophobicContact CG1-CB 3.73Å; I33-V49 HydrophobicContact CD1-CB 4.26Å; I33-V49 HydrophobicContact CD1-CG2 3.97Å
34G86.4Confident90.2Very high30 Ų3086.6 Ų86.631%0.30941%0.414SS..Hα-helixtrans-64.7-41.117800000114S22 I30 P31 A36S22-G34 WeakPolarHBondContact OG-CA 3.44Å; I30-G34 PolarHBondContact O-N 2.89Å; I30-G34 VanDerWaalsContact O-N 3.13Å; P31-G34 PolarHBondContact O-N 3.15Å; G34-A36 VanDerWaalsContact C-N 3.34Å; G34-A36 PolarHBondContact O-N 2.95Å
35M87.7Confident90.6Very high100 Ų10081.8 Ų81.849%0.49340%0.396SS..THydrogen-bonded Turntrans-84.60.5-177.4-62.6174.8-172.900114.5P31 R37P31-M35 HydrophobicContact CB-CE 4.24Å; P31-M35 VanDerWaalsContact O-CB 3.29Å; P31-M35 WeakPolarHBondContact O-CB 3.36Å; P31-M35 WeakPolarHBondContact O-CG 3.39Å; P31-M35 PolarHBondContact O-N 3.43Å; M35-R37 PolarHBondContact O-N 3.47Å
36A88.6Confident90.8Very high27 Ų2784.1 Ų84.122%0.22341%0.41CS..  trans-62.9124.8-175.100000112.5R32 G34 E41R32-A36 PolarHBondContact O-N 2.78Å; G34-A36 VanDerWaalsContact C-N 3.34Å; G34-A36 PolarHBondContact O-N 2.95Å; A36-E41 HydrophobicContact CB-CB 4.25Å; A36-E41 HydrophobicContact CB-CG 3.96Å
37R87.8Confident91.1Very high242 Ų24285 Ų8591%0.91342%0.418SS*.SBendtrans-78.4-25.4-179.5-62.7-178.3177.9-173.4-0.6112.6M35 E41M35-R37 PolarHBondContact O-N 3.47Å; R37-E41 PolarHBondContact N-OE2 2.81Å
38S91.7Very high91.3Very high58 Ų5887.3 Ų87.341%0.40643%0.432SS..SBendtrans-126.7152.8-179.477.60000112.7R40 E41 G42S38-R40 PolarHBondContact O-N 2.89Å; S38-E41 PolarHBondContact N-OE2 3.26Å; S38-E41 PolarHBondContact O-N 3.19Å; S38-E41 VanDerWaalsContact OG-CB 3.27Å; S38-E41 WeakPolarHBondContact OG-CB 3.3Å; S38-E41 PolarHBondContact OG-N 3.39Å; S38-E41 VanDerWaalsContact OG-N 3.09Å; S38-G42 PolarHBondContact O-N 3.32Å
39K89.6Confident91.5Very high203 Ų20382.5 Ų82.588%0.88341%0.411SS*.Hα-helixtrans-58.6-31.4173.8-66.3-175179.9179.80112.7A43K39-A43 VanDerWaalsContact O-CB 3.25Å; K39-A43 WeakPolarHBondContact O-CB 3.15Å; K39-A43 PolarHBondContact O-N 3.11Å
40R92Very high91.8Very high221 Ų22185.1 Ų85.183%0.83443%0.426SS*.Hα-helixtrans-70.7-43.1178.3-68.2-176.1177.6-179-0.7111.6S38 A43 F44S38-R40 PolarHBondContact O-N 2.89Å; R40-A43 PolarHBondContact O-N 3.33Å; R40-F44 WeakPolarHBondContact O-CB 3.33Å; R40-F44 PolarHBondContact O-N 3.46Å
41E91.1Very high92Very high72 Ų7286 Ų8634%0.33643%0.434SS..Hα-helixtrans-64.1-45.9175.4179.4-178-163.500111.7A36 R37 S38 A43 F44 W45A36-E41 HydrophobicContact CB-CB 4.25Å; A36-E41 HydrophobicContact CB-CG 3.96Å; R37-E41 PolarHBondContact N-OE2 2.81Å; S38-E41 PolarHBondContact N-OE2 3.26Å; S38-E41 PolarHBondContact O-N 3.19Å; S38-E41 VanDerWaalsContact OG-CB 3.27Å; S38-E41 WeakPolarHBondContact OG-CB 3.3Å; S38-E41 PolarHBondContact OG-N 3.39Å; S38-E41 VanDerWaalsContact OG-N 3.09Å; E41-A43 VanDerWaalsContact C-N 3.35Å; E41-A43 PolarHBondContact O-N 2.94Å; E41-F44 WeakPolarHBondContact O-CB 3.34Å; E41-F44 PolarHBondContact O-N 3.48Å; E41-W45 VanDerWaalsContact O-CD1 3.32Å; E41-W45 PolarHBondContact O-N 3.07Å
42G91.5Very high92.3Very high13 Ų1386 Ų8613%0.13443%0.434CS..Hα-helixtrans-62.8-40.917600000112.4S38 T46S38-G42 PolarHBondContact O-N 3.32Å; G42-T46 VanDerWaalsContact O-CB 3.3Å; G42-T46 WeakPolarHBondContact O-CB 3.3Å; G42-T46 PolarHBondContact O-N 2.85Å; G42-T46 PolarHBondContact O-OG1 3.18Å
43A93.6Very high92.5Very high59 Ų5984 Ų8449%0.48843%0.43SS..Hα-helixtrans-65-38.9174.700000112.6K39 R40 E41 T46 C47K39-A43 VanDerWaalsContact O-CB 3.25Å; K39-A43 WeakPolarHBondContact O-CB 3.15Å; K39-A43 PolarHBondContact O-N 3.11Å; R40-A43 PolarHBondContact O-N 3.33Å; E41-A43 VanDerWaalsContact C-N 3.35Å; E41-A43 PolarHBondContact O-N 2.94Å; A43-T46 PolarHBondContact O-N 3.41Å; A43-C47 WeakPolarHBondContact O-CB 3.39Å; A43-C47 PolarHBondContact O-N 3.41Å
44F94.9Very high92.7Very high123 Ų12385.7 Ų85.754%0.53944%0.443SS..Hα-helixtrans-60.3-54.4174.9171.3-97.1000111.4R40 E41 T46 C47 V48R40-F44 WeakPolarHBondContact O-CB 3.33Å; R40-F44 PolarHBondContact O-N 3.46Å; E41-F44 WeakPolarHBondContact O-CB 3.34Å; E41-F44 PolarHBondContact O-N 3.48Å; F44-T46 VanDerWaalsContact C-N 3.31Å; F44-T46 PolarHBondContact O-N 2.94Å; F44-C47 WeakPolarHBondContact O-CB 3.36Å; F44-C47 PolarHBondContact O-N 3.3Å; F44-C47 VanDerWaalsContact O-N 3.13Å; F44-V48 HydrophobicContact CE1-CG2 4.12Å; F44-V48 HydrophobicContact CE2-CG2 4.28Å; F44-V48 HydrophobicContact CZ-CG2 3.98Å; F44-V48 WeakPolarHBondContact O-CG2 3.08Å; F44-V48 PolarHBondContact O-N 2.87Å
45W93.9Very high93.2Very high77 Ų7787.1 Ų87.129%0.29244%0.443SS..Hα-helixtrans-64.7-34.8179-72.5114.4000113R32 I33 E41 V48 V49R32-W45 HydrophobicContact CB-CB 4.2Å; R32-W45 HydrophobicContact CB-CD2 3.56Å; R32-W45 HydrophobicContact CB-CE3 4.1Å; R32-W45 HydrophobicContact CB-CG 3.59Å; R32-W45 HydrophobicContact CB-CZ2 4.45Å; R32-W45 HydrophobicContact CG-CD2 4.13Å; R32-W45 HydrophobicContact CG-CE3 4.36Å; R32-W45 HydrophobicContact CG-CH2 4.48Å; R32-W45 HydrophobicContact CG-CZ2 4.24Å; I33-W45 HydrophobicContact CG1-CB 3.73Å; E41-W45 VanDerWaalsContact O-CD1 3.32Å; E41-W45 PolarHBondContact O-N 3.07Å; W45-V48 HydrophobicContact CE3-CB 4.46Å; W45-V48 PolarHBondContact O-N 2.94Å; W45-V49 WeakPolarHBondContact O-CG2 3.34Å; W45-V49 PolarHBondContact O-N 3.43Å
46T93.8Very high93.5Very high58 Ų5882.8 Ų82.836%0.35642%0.421SS..Hα-helixtrans-61.5-44.3172.1-560000111.3G42 A43 F44 V48 V49 C50G42-T46 VanDerWaalsContact O-CB 3.3Å; G42-T46 WeakPolarHBondContact O-CB 3.3Å; G42-T46 PolarHBondContact O-N 2.85Å; G42-T46 PolarHBondContact O-OG1 3.18Å; A43-T46 PolarHBondContact O-N 3.41Å; F44-T46 VanDerWaalsContact C-N 3.31Å; F44-T46 PolarHBondContact O-N 2.94Å; T46-V48 PolarHBondContact O-N 3.11Å; T46-V49 PolarHBondContact O-N 3.44Å; T46-C50 WeakPolarHBondContact O-CB 3.48Å; T46-C50 PolarHBondContact O-N 2.84Å; T46-C50 PolarHBondContact O-SG 2.82Å; T46-C50 VanDerWaalsContact O-SG 3.32Å
47C95.8Very high93.9Very high78 Ų7884.7 Ų84.753%0.52743%0.427SS..Hα-helixtrans-61.4-43.8176.3-170.90000111.8A43 F44 C50 T51A43-C47 WeakPolarHBondContact O-CB 3.39Å; A43-C47 PolarHBondContact O-N 3.41Å; F44-C47 WeakPolarHBondContact O-CB 3.36Å; F44-C47 PolarHBondContact O-N 3.3Å; F44-C47 VanDerWaalsContact O-N 3.13Å; C47-C50 PolarHBondContact O-N 2.99Å; C47-T51 WeakPolarHBondContact O-CB 3.07Å; C47-T51 PolarHBondContact O-N 3.33Å; C47-T51 PolarHBondContact O-OG1 2.77Å
48V95.2Very high94.3Very high53 Ų5379.4 Ų79.432%0.32141%0.411SS..Hα-helixtrans-60.2-50.6176.31740000111F44 W45 T46 C50 T51 S52F44-V48 HydrophobicContact CE1-CG2 4.12Å; F44-V48 HydrophobicContact CE2-CG2 4.28Å; F44-V48 HydrophobicContact CZ-CG2 3.98Å; F44-V48 WeakPolarHBondContact O-CG2 3.08Å; F44-V48 PolarHBondContact O-N 2.87Å; W45-V48 HydrophobicContact CE3-CB 4.46Å; W45-V48 PolarHBondContact O-N 2.94Å; T46-V48 PolarHBondContact O-N 3.11Å; V48-C50 PolarHBondContact O-N 3.16Å; V48-T51 PolarHBondContact O-N 2.8Å; V48-S52 WeakPolarHBondContact O-CB 3.48Å; V48-S52 PolarHBondContact O-N 3.33Å; V48-S52 PolarHBondContact O-OG 2.75Å
49V94.5Very high94.5Very high24 Ų2479.7 Ų79.715%0.14541%0.406CS..Hα-helixtrans-61.7-45.6178.8171.40000111.8I33 W45 T46 T51 S52 F53 M481I33-V49 HydrophobicContact CD1-CB 4.26Å; I33-V49 HydrophobicContact CD1-CG2 3.97Å; W45-V49 WeakPolarHBondContact O-CG2 3.34Å; W45-V49 PolarHBondContact O-N 3.43Å; T46-V49 PolarHBondContact O-N 3.44Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.91Å; V49-S52 PolarHBondContact O-N 3.33Å; V49-F53 VanDerWaalsContact O-CB 3.32Å; V49-F53 WeakPolarHBondContact O-CB 3.29Å; V49-F53 PolarHBondContact O-N 3Å; V49-M481 HydrophobicContact CG1-CE 4.19Å
50C95.6Very high94.8Very high70 Ų7071.4 Ų71.447%0.47337%0.371SS..Hα-helixtrans-62.9-38.1177-71.70000112.5T46 C47 V48 T54T46-C50 WeakPolarHBondContact O-CB 3.48Å; T46-C50 PolarHBondContact O-N 2.84Å; T46-C50 PolarHBondContact O-SG 2.82Å; T46-C50 VanDerWaalsContact O-SG 3.32Å; C47-C50 PolarHBondContact O-N 2.99Å; V48-C50 PolarHBondContact O-N 3.16Å; C50-T54 WeakPolarHBondContact O-CB 3.38Å; C50-T54 PolarHBondContact O-N 2.99Å; C50-T54 PolarHBondContact O-OG1 3.46Å
51T96Very high95Very high70 Ų7064.5 Ų64.543%0.42936%0.356SS..Hα-helixtrans-67.3-49177.4-55.80000110.6C47 V48 V49 F53 T54 I55C47-T51 WeakPolarHBondContact O-CB 3.07Å; C47-T51 PolarHBondContact O-N 3.33Å; C47-T51 PolarHBondContact O-OG1 2.77Å; V48-T51 PolarHBondContact O-N 2.8Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.91Å; T51-F53 VanDerWaalsContact C-N 3.34Å; T51-F53 PolarHBondContact O-N 2.85Å; T51-T54 PolarHBondContact O-N 2.67Å; T51-T54 VanDerWaalsContact O-N 3.16Å; T51-I55 HydrophobicContact CG2-CD1 4.06Å; T51-I55 WeakPolarHBondContact O-CG1 3.41Å; T51-I55 PolarHBondContact O-N 2.64Å
52S96Very high95.3Very high24 Ų2465.9 Ų65.917%0.16837%0.365CS..Hα-helixtrans-59-43.4176.5-65.50000112.2V48 V49 T54 I55 F56 W480V48-S52 WeakPolarHBondContact O-CB 3.48Å; V48-S52 PolarHBondContact O-N 3.33Å; V48-S52 PolarHBondContact O-OG 2.75Å; V49-S52 PolarHBondContact O-N 3.33Å; S52-T54 PolarHBondContact O-N 3.1Å; S52-I55 PolarHBondContact O-N 2.83Å; S52-F56 WeakPolarHBondContact O-CB 3.5Å; S52-F56 PolarHBondContact O-N 2.94Å; S52-W480 WeakPolarHBondContact CB-O 3.29Å
53F94.8Very high95.4Very high104 Ų10465.9 Ų65.946%0.45636%0.362SS..Hα-helixtrans-64.2-39.2175.7-174.3-106000112.4V49 T51 F56 I57 M481V49-F53 VanDerWaalsContact O-CB 3.32Å; V49-F53 WeakPolarHBondContact O-CB 3.29Å; V49-F53 PolarHBondContact O-N 3Å; T51-F53 VanDerWaalsContact C-N 3.34Å; T51-F53 PolarHBondContact O-N 2.85Å; F53-F56 HydrophobicContact CD2-CD1 4.28Å; F53-F56 HydrophobicContact CE2-CD1 4.32Å; F53-F56 PolarHBondContact O-N 2.9Å; F53-I57 HydrophobicContact CD1-CG1 4.18Å; F53-I57 HydrophobicContact CD2-CG1 4.49Å; F53-I57 HydrophobicContact CE1-CD1 4.26Å; F53-I57 HydrophobicContact CE1-CG1 3.8Å; F53-I57 HydrophobicContact CE2-CD1 4.15Å; F53-I57 HydrophobicContact CE2-CG1 4.14Å; F53-I57 HydrophobicContact CZ-CD1 3.78Å; F53-I57 HydrophobicContact CZ-CG1 3.78Å; F53-I57 VanDerWaalsContact O-CG1 3.28Å; F53-I57 WeakPolarHBondContact O-CG1 3.32Å; F53-I57 PolarHBondContact O-N 3.02Å; F53-M481 HydrophobicContact CB-CE 4.39Å; F53-M481 HydrophobicContact CB-SD 3.88Å; F53-M481 HydrophobicContact CD2-CE 4.1Å; F53-M481 HydrophobicContact CD2-SD 4.01Å; F53-M481 HydrophobicContact CG-SD 4.46Å
54T96.5Very high95.5Very high93 Ų9366.6 Ų66.657%0.57136%0.356SS*.Hα-helixtrans-64.4-42.3176.7-56.20000111.5C50 T51 S52 I57 F58C50-T54 WeakPolarHBondContact O-CB 3.38Å; C50-T54 PolarHBondContact O-N 2.99Å; C50-T54 PolarHBondContact O-OG1 3.46Å; T51-T54 PolarHBondContact O-N 2.67Å; T51-T54 VanDerWaalsContact O-N 3.16Å; S52-T54 PolarHBondContact O-N 3.1Å; T54-I57 PolarHBondContact O-N 3.22Å; T54-F58 PolarHBondContact O-N 3.12Å
55I96.1Very high95.5Very high61 Ų6163.1 Ų63.131%0.31335%0.35SS..Hα-helixtrans-66.9-42.6176.5-60.3163.8000110.8T51 S52 I57 F58 Q59 W480T51-I55 HydrophobicContact CG2-CD1 4.06Å; T51-I55 WeakPolarHBondContact O-CG1 3.41Å; T51-I55 PolarHBondContact O-N 2.64Å; S52-I55 PolarHBondContact O-N 2.83Å; I55-I57 PolarHBondContact O-N 3.39Å; I55-F58 PolarHBondContact O-N 3.04Å; I55-Q59 HydrophobicContact CG2-CG 4.38Å; I55-Q59 WeakPolarHBondContact O-CG 3.27Å; I55-Q59 PolarHBondContact O-N 3.37Å; I55-W480 HydrophobicContact CB-CE3 4.48Å; I55-W480 HydrophobicContact CB-CH2 4.17Å; I55-W480 HydrophobicContact CB-CZ2 4.19Å; I55-W480 HydrophobicContact CB-CZ3 4.31Å; I55-W480 HydrophobicContact CD1-CH2 3.89Å; I55-W480 HydrophobicContact CD1-CZ3 3.85Å; I55-W480 HydrophobicContact CG2-CD2 4.41Å; I55-W480 HydrophobicContact CG2-CH2 3.64Å; I55-W480 HydrophobicContact CG2-CZ2 3.34Å; I55-W480 HydrophobicContact CG2-CZ3 4.26Å
56F95.6Very high95.6Very high9 Ų965 Ų654%0.03936%0.357CS..Hα-helixtrans-56-49.9174166.8-105.5000111.9S52 F53 F58 Q59 L60 F473 Q476 L477 W480S52-F56 WeakPolarHBondContact O-CB 3.5Å; S52-F56 PolarHBondContact O-N 2.94Å; F53-F56 HydrophobicContact CD2-CD1 4.28Å; F53-F56 HydrophobicContact CE2-CD1 4.32Å; F53-F56 PolarHBondContact O-N 2.9Å; F56-F58 VanDerWaalsContact C-N 3.31Å; F56-F58 PolarHBondContact O-N 3.31Å; F56-Q59 PolarHBondContact O-N 3.05Å; F56-L60 HydrophobicContact CE1-CD2 4.06Å; F56-L60 HydrophobicContact CZ-CB 4.46Å; F56-L60 HydrophobicContact CZ-CD2 3.86Å; F56-L60 VanDerWaalsContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.5Å; F56-L60 PolarHBondContact O-N 3.41Å; F56-F473 HydrophobicContact CZ-CD2 4.42Å; F56-F473 AromaticContact CZ-CE2 4Å; F56-F473 HydrophobicContact CZ-CE2 4Å; F56-Q476 HydrophobicContact CD2-CB 4Å; F56-Q476 HydrophobicContact CE2-CB 4.03Å; F56-L477 HydrophobicContact CD1-CD2 4.42Å; F56-L477 HydrophobicContact CD2-CD2 4.4Å; F56-L477 HydrophobicContact CE1-CD2 3.69Å; F56-L477 HydrophobicContact CE1-CG 4.47Å; F56-L477 HydrophobicContact CE2-CB 4.38Å; F56-L477 HydrophobicContact CE2-CD2 3.67Å; F56-L477 HydrophobicContact CE2-CG 3.65Å; F56-L477 HydrophobicContact CZ-CD2 3.27Å; F56-L477 HydrophobicContact CZ-CG 3.57Å; F56-W480 HydrophobicContact CB-CB 3.88Å; F56-W480 HydrophobicContact CB-CG 3.95Å
57I96.1Very high95.6Very high67 Ų6764 Ų6434%0.34435%0.348SS..Hα-helixtrans-63.3-38.4179.6-66.7-71.3000111.2F53 T54 I55 L60 C61F53-I57 HydrophobicContact CD1-CG1 4.18Å; F53-I57 HydrophobicContact CD2-CG1 4.49Å; F53-I57 HydrophobicContact CE1-CD1 4.26Å; F53-I57 HydrophobicContact CE1-CG1 3.8Å; F53-I57 HydrophobicContact CE2-CD1 4.15Å; F53-I57 HydrophobicContact CE2-CG1 4.14Å; F53-I57 HydrophobicContact CZ-CD1 3.78Å; F53-I57 HydrophobicContact CZ-CG1 3.78Å; F53-I57 VanDerWaalsContact O-CG1 3.28Å; F53-I57 WeakPolarHBondContact O-CG1 3.32Å; F53-I57 PolarHBondContact O-N 3.02Å; T54-I57 PolarHBondContact O-N 3.22Å; I55-I57 PolarHBondContact O-N 3.39Å; I57-L60 PolarHBondContact O-N 3.24Å; I57-C61 PolarHBondContact O-N 2.99Å; I57-C61 PolarHBondContact O-SG 3.08Å
58F96.7Very high95.6Very high131 Ų13165 Ų6558%0.57535%0.348SS*.Hα-helixtrans-63.2-46.6174.3179-103.3000112.5T54 I55 F56 L60 C61 L62T54-F58 PolarHBondContact O-N 3.12Å; I55-F58 PolarHBondContact O-N 3.04Å; F56-F58 VanDerWaalsContact C-N 3.31Å; F56-F58 PolarHBondContact O-N 3.31Å; F58-L60 VanDerWaalsContact C-N 3.35Å; F58-L60 PolarHBondContact O-N 3.06Å; F58-C61 PolarHBondContact O-N 3.08Å; F58-L62 HydrophobicContact CD1-CD1 4.13Å; F58-L62 HydrophobicContact CE1-CD1 3.58Å; F58-L62 HydrophobicContact CE1-CG 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.87Å; F58-L62 HydrophobicContact CZ-CG 4.39Å; F58-L62 WeakPolarHBondContact O-CG 3.4Å; F58-L62 PolarHBondContact O-N 3.34Å; F58-L62 VanDerWaalsContact O-N 3.15Å
59Q96Very high95.6Very high63 Ų6370.6 Ų70.629%0.29436%0.363SS..Hα-helixtrans-64.2-39.2176.5-70.9-175.5-10.300112.1I55 F56 L62 L63I55-Q59 HydrophobicContact CG2-CG 4.38Å; I55-Q59 WeakPolarHBondContact O-CG 3.27Å; I55-Q59 PolarHBondContact O-N 3.37Å; F56-Q59 PolarHBondContact O-N 3.05Å; Q59-L62 PolarHBondContact O-N 2.88Å; Q59-L63 WeakPolarHBondContact O-CB 3.32Å; Q59-L63 PolarHBondContact O-N 2.94Å
60L95.4Very high95.6Very high29 Ų2972.6 Ų72.615%0.15237%0.37CS..Hα-helixtrans-61.4-44.7175179.957.1000112F56 I57 F58 L62 L63 I64 F473F56-L60 HydrophobicContact CE1-CD2 4.06Å; F56-L60 HydrophobicContact CZ-CB 4.46Å; F56-L60 HydrophobicContact CZ-CD2 3.86Å; F56-L60 VanDerWaalsContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.5Å; F56-L60 PolarHBondContact O-N 3.41Å; I57-L60 PolarHBondContact O-N 3.24Å; F58-L60 VanDerWaalsContact C-N 3.35Å; F58-L60 PolarHBondContact O-N 3.06Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 2.66Å; L60-L63 PolarHBondContact O-N 3.33Å; L60-I64 HydrophobicContact CD1-CD1 3.81Å; L60-I64 HydrophobicContact CD1-CG1 4.06Å; L60-I64 HydrophobicContact CG-CD1 3.82Å; L60-I64 HydrophobicContact CG-CG1 4.47Å; L60-I64 WeakPolarHBondContact O-CB 3.3Å; L60-I64 WeakPolarHBondContact O-CG1 3.17Å; L60-I64 PolarHBondContact O-N 3.25Å; L60-F473 HydrophobicContact CD1-CD2 3.65Å; L60-F473 HydrophobicContact CD1-CE2 4.01Å; L60-F473 HydrophobicContact CD2-CE2 4.13Å
61C96.5Very high95.6Very high76 Ų7672.7 Ų72.751%0.51436%0.364SS..Hα-helixtrans-59.6-40.9174.8-73.60000112.1I57 F58 A65I57-C61 PolarHBondContact O-N 2.99Å; I57-C61 PolarHBondContact O-SG 3.08Å; F58-C61 PolarHBondContact O-N 3.08Å; C61-A65 WeakPolarHBondContact O-CB 3.29Å; C61-A65 PolarHBondContact O-N 2.84Å
62L96Very high95.5Very high101 Ų10171.9 Ų71.953%0.52936%0.359SS..Hα-helixtrans-66.4-38.9174.6-66.8176.8000112.4F58 Q59 L60 A65 R66F58-L62 HydrophobicContact CD1-CD1 4.13Å; F58-L62 HydrophobicContact CE1-CD1 3.58Å; F58-L62 HydrophobicContact CE1-CG 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.87Å; F58-L62 HydrophobicContact CZ-CG 4.39Å; F58-L62 WeakPolarHBondContact O-CG 3.4Å; F58-L62 PolarHBondContact O-N 3.34Å; F58-L62 VanDerWaalsContact O-N 3.15Å; Q59-L62 PolarHBondContact O-N 2.88Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 2.66Å; L62-A65 PolarHBondContact O-N 2.93Å; L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 PolarHBondContact O-N 3.47Å
63L95.2Very high95.5Very high14 Ų1473.9 Ų73.97%0.07337%0.37CS..Hα-helixtrans-65.9-45.9178.9-162.769.8000111.6Q59 L60 R66 F67 Y464 L469 D472Q59-L63 WeakPolarHBondContact O-CB 3.32Å; Q59-L63 PolarHBondContact O-N 2.94Å; L60-L63 PolarHBondContact O-N 3.33Å; L63-R66 PolarHBondContact O-N 2.86Å; L63-F67 PolarHBondContact O-N 3.43Å; L63-Y464 HydrophobicContact CD1-CE1 4.45Å; L63-Y464 VanDerWaalsContact CD1-OH 3.31Å; L63-Y464 WeakPolarHBondContact CD1-OH 3.5Å; L63-L469 HydrophobicContact CD2-CD1 3.83Å; L63-L469 HydrophobicContact CG-CD1 3.84Å; L63-D472 HydrophobicContact CD1-CB 4.07Å; L63-D472 HydrophobicContact CD2-CB 3.83Å
64I95.1Very high95.5Very high73 Ų7373.4 Ų73.437%0.37438%0.376SS..Hα-helixtrans-63.7-45.3174.8-67.7168.6000110L60 R66 F67 L68L60-I64 HydrophobicContact CD1-CD1 3.81Å; L60-I64 HydrophobicContact CD1-CG1 4.06Å; L60-I64 HydrophobicContact CG-CD1 3.82Å; L60-I64 HydrophobicContact CG-CG1 4.47Å; L60-I64 WeakPolarHBondContact O-CB 3.3Å; L60-I64 WeakPolarHBondContact O-CG1 3.17Å; L60-I64 PolarHBondContact O-N 3.25Å; I64-R66 VanDerWaalsContact C-N 3.27Å; I64-R66 PolarHBondContact O-N 3.31Å; I64-F67 PolarHBondContact O-N 3.07Å; I64-L68 HydrophobicContact CG2-CD1 3.71Å; I64-L68 HydrophobicContact CG2-CG 4.2Å; I64-L68 WeakPolarHBondContact O-CB 3.18Å; I64-L68 WeakPolarHBondContact O-CG 3.32Å; I64-L68 PolarHBondContact O-N 3.11Å
65A95.7Very high95.5Very high50 Ų5072.8 Ų72.841%0.41337%0.366SS..Hα-helixtrans-60.4-35.5176.600000112.4C61 L62 R69C61-A65 WeakPolarHBondContact O-CB 3.29Å; C61-A65 PolarHBondContact O-N 2.84Å; L62-A65 PolarHBondContact O-N 2.93Å; A65-R69 WeakPolarHBondContact O-CG 3.43Å; A65-R69 PolarHBondContact O-N 2.82Å
66R94.5Very high95.5Very high116 Ų11674.1 Ų74.144%0.43838%0.377SS..Hα-helixtrans-68-45.3173.5-173.7-178.8-176-166.5-1.1112.1L62 L63 I64 L68 R69L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 PolarHBondContact O-N 3.47Å; L63-R66 PolarHBondContact O-N 2.86Å; I64-R66 VanDerWaalsContact C-N 3.27Å; I64-R66 PolarHBondContact O-N 3.31Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 2.86Å; R66-R69 WeakPolarHBondContact O-CB 3.4Å; R66-R69 PolarHBondContact O-N 2.9Å
67F94.7Very high95.4Very high37 Ų3775.8 Ų75.816%0.16239%0.385CS..Hα-helixtrans-61-42.6177.1179.7-100.8000111.9L63 I64 R69 F70 Y464 W466 L469L63-F67 PolarHBondContact O-N 3.43Å; I64-F67 PolarHBondContact O-N 3.07Å; F67-R69 PolarHBondContact O-N 3.36Å; F67-F70 PolarHBondContact O-N 2.83Å; F67-Y464 HydrophobicContact CB-CD1 4.1Å; F67-Y464 HydrophobicContact CB-CE1 4.31Å; F67-Y464 AromaticContact CD2-CD1 3.94Å; F67-Y464 HydrophobicContact CD2-CD1 3.94Å; F67-Y464 HydrophobicContact CD2-CE1 4.39Å; F67-W466 HydrophobicContact CE1-CE3 4.4Å; F67-W466 HydrophobicContact CE2-CE3 4.35Å; F67-W466 AromaticContact CZ-CE3 3.86Å; F67-W466 HydrophobicContact CZ-CE3 3.86Å; F67-W466 HydrophobicContact CZ-CZ3 4.45Å; F67-L469 HydrophobicContact CB-CD1 4.36Å; F67-L469 HydrophobicContact CB-CD2 4.36Å; F67-L469 HydrophobicContact CD1-CD2 3.94Å; F67-L469 HydrophobicContact CD2-CB 4.23Å; F67-L469 HydrophobicContact CD2-CD2 3.92Å; F67-L469 HydrophobicContact CE1-CD2 4.18Å; F67-L469 HydrophobicContact CE2-CD2 4.17Å; F67-L469 HydrophobicContact CG-CD2 3.81Å; F67-L469 HydrophobicContact CZ-CD2 4.3Å
68L95.5Very high95.3Very high100 Ų10076.8 Ų76.852%0.52439%0.391SS..THydrogen-bonded Turntrans-73.91.7178.4-65.3177.7000115.1I64 R66 F70I64-L68 HydrophobicContact CG2-CD1 3.71Å; I64-L68 HydrophobicContact CG2-CG 4.2Å; I64-L68 WeakPolarHBondContact O-CB 3.18Å; I64-L68 WeakPolarHBondContact O-CG 3.32Å; I64-L68 PolarHBondContact O-N 3.11Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 2.86Å; L68-F70 VanDerWaalsContact C-N 3.35Å; L68-F70 HydrophobicContact CD2-CZ 4.21Å; L68-F70 VanDerWaalsContact O-CD2 3.32Å; L68-F70 WeakPolarHBondContact O-CD2 3.48Å; L68-F70 VanDerWaalsContact O-CE2 3.31Å; L68-F70 WeakPolarHBondContact O-CE2 3.46Å
69R94.6Very high95Very high171 Ų17174 Ų7465%0.64538%0.377SS*.THydrogen-bonded Turntrans-81.7-15.1167.3-74.1173.1-176-175.6-1.1113.5A65 R66 F67 E71A65-R69 WeakPolarHBondContact O-CG 3.43Å; A65-R69 PolarHBondContact O-N 2.82Å; R66-R69 WeakPolarHBondContact O-CB 3.4Å; R66-R69 PolarHBondContact O-N 2.9Å; F67-R69 PolarHBondContact O-N 3.36Å; R69-E71 HydrophobicContact CB-CG 3.88Å; R69-E71 WeakPolarHBondContact CD-OE1 3.37Å; R69-E71 IonicContact CZ-OE1 2.74Å; R69-E71 IonicContact NE-OE1 2.7Å; R69-E71 IonicContact NH1-OE1 3.81Å; R69-E71 PolarHBondContact NH1-OE1 2.88Å; R69-E71 PolarHBondContact O-N 3.23Å
70F94.8Very high94.5Very high66 Ų6678.4 Ų78.429%0.28940%0.395SS..THydrogen-bonded Turntrans53.736-177.1-52.1-74.9000113.4F67 L68 T72 P359 Y360F67-F70 PolarHBondContact O-N 2.83Å; L68-F70 VanDerWaalsContact C-N 3.35Å; L68-F70 HydrophobicContact CD2-CZ 4.21Å; L68-F70 VanDerWaalsContact O-CD2 3.32Å; L68-F70 WeakPolarHBondContact O-CD2 3.48Å; L68-F70 VanDerWaalsContact O-CE2 3.31Å; L68-F70 WeakPolarHBondContact O-CE2 3.46Å; F70-T72 PolarHBondContact O-N 2.81Å; F70-P359 HydrophobicContact CD1-CB 4.23Å; F70-P359 HydrophobicContact CD1-CG 3.58Å; F70-P359 HydrophobicContact CD2-CB 4.11Å; F70-P359 HydrophobicContact CD2-CG 4.33Å; F70-P359 HydrophobicContact CE1-CB 4.37Å; F70-P359 HydrophobicContact CE1-CG 3.61Å; F70-P359 HydrophobicContact CE2-CB 4.26Å; F70-P359 HydrophobicContact CE2-CG 4.36Å; F70-P359 HydrophobicContact CG-CB 4.1Å; F70-P359 HydrophobicContact CG-CG 3.96Å; F70-P359 HydrophobicContact CZ-CB 4.38Å; F70-P359 HydrophobicContact CZ-CG 4.02Å; F70-Y360 HydrophobicContact CB-CD1 3.74Å; F70-Y360 HydrophobicContact CB-CE1 3.91Å; F70-Y360 HydrophobicContact CB-CG 4.31Å; F70-Y360 HydrophobicContact CD1-CD1 4.38Å; F70-Y360 AromaticContact CD1-CE1 3.89Å; F70-Y360 HydrophobicContact CD1-CE1 3.89Å; F70-Y360 HydrophobicContact CD1-CE2 4.17Å; F70-Y360 AromaticContact CD1-CZ 3.77Å; F70-Y360 HydrophobicContact CG-CE1 4.42Å; F70-Y360 WeakPolarHBondContact O-CD1 3.5Å
71E95.1Very high93.9Very high71 Ų7182.5 Ų82.533%0.33241%0.413SS..  trans-56.4132.9178.4-68.9171.6-176.300110.9R69 A463R69-E71 HydrophobicContact CB-CG 3.88Å; R69-E71 WeakPolarHBondContact CD-OE1 3.37Å; R69-E71 IonicContact CZ-OE1 2.74Å; R69-E71 IonicContact NE-OE1 2.7Å; R69-E71 IonicContact NH1-OE1 3.81Å; R69-E71 PolarHBondContact NH1-OE1 2.88Å; R69-E71 PolarHBondContact O-N 3.23Å; E71-A463 HydrophobicContact CB-CB 4.13Å; E71-A463 WeakPolarHBondContact O-CB 3.43Å; E71-A463 PolarHBondContact O-N 3.48Å
72T95.4Very high93Very high53 Ų5383 Ų8333%0.32541%0.414SS..EExtended strand (participates in β ladder)trans-108.7163.1176.964.40000112.4F70 L356 Y360 E460 M461F70-T72 PolarHBondContact O-N 2.81Å; T72-L356 HydrophobicContact CG2-CD1 3.99Å; T72-Y360 HydrophobicContact CG2-CD1 4.06Å; T72-Y360 HydrophobicContact CG2-CG 4.42Å; T72-Y360 WeakPolarHBondContact CG2-O 3.37Å; T72-E460 WeakPolarHBondContact CB-OE1 3.29Å; T72-E460 HydrophobicContact CG2-CG 4.05Å; T72-E460 PolarHBondContact OG1-OE1 2.78Å; T72-M461 CarbonylContact C-O 3.59Å; T72-M461 VanDerWaalsContact CA-O 3.24Å; T72-M461 WeakPolarHBondContact CA-O 3.32Å; T72-M461 WeakPolarHBondContact CB-O 3.28Å
73T95Very high92.2Very high67 Ų6779.8 Ų79.841%0.41140%0.4SS..EExtended strand (participates in β ladder)trans-141149.5176.6-166.60000110.1M461 A463T73-M461 HydrophobicContact CG2-CB 4.09Å; T73-M461 HydrophobicContact CG2-CE 4.44Å; T73-M461 PolarHBondContact N-O 3.26Å; T73-M461 PolarHBondContact O-N 3.09Å; T73-A463 HydrophobicContact CG2-CB 4.33Å
74T95.8Very high91.8Very high94 Ų9483 Ų8358%0.57742%0.415SS*.EExtended strand (participates in β ladder)trans-102.6119.7-177.6-50.20000110.9L458 K459T74-L458 HydrophobicContact CG2-CB 4.48Å; T74-K459 CarbonylContact C-O 3.58Å; T74-K459 WeakPolarHBondContact CA-O 3.36Å
75Q95.8Very high91.8Very high79 Ų7979.7 Ų79.737%0.36940%0.397SS..EExtended strand (participates in β ladder)trans-94.2131.4168.1-175.2175.70.800110.2E77 K459 M461Q75-E77 HydrophobicContact CG-CG 4.41Å; Q75-K459 PolarHBondContact N-O 3.47Å; Q75-K459 PolarHBondContact O-N 2.96Å; Q75-M461 HydrophobicContact CB-CE 3.99Å; Q75-M461 HydrophobicContact CB-SD 4.41Å; Q75-M461 VanDerWaalsContact OE1-CE 3.32Å; Q75-M461 PolarHBondContact OE1-SD 2.6Å
76V95.8Very high91.7Very high90 Ų9078.4 Ų78.455%0.54539%0.385SS..EExtended strand (participates in β ladder)trans-99.2111171.5-171.10000108.4E456 L458V76-E456 HydrophobicContact CG1-CG 3.9Å; V76-L458 HydrophobicContact CB-CD2 4.26Å; V76-L458 HydrophobicContact CG1-CD2 3.97Å; V76-L458 HydrophobicContact CG2-CD2 3.75Å
77E94.7Very high91.8Very high43 Ų4373 Ų7320%0.20137%0.365CS..EExtended strand (participates in β ladder)trans-99.6127.7169.3-68177.5-169.800109.6Q75 R79 V457 K459Q75-E77 HydrophobicContact CG-CG 4.41Å; E77-R79 IonicContact OE2-CZ 3.45Å; E77-R79 IonicContact OE2-NE 3.13Å; E77-R79 PolarHBondContact OE2-NE 3.49Å; E77-R79 VanDerWaalsContact OE2-NE 3.08Å; E77-R79 IonicContact OE2-NH2 2.65Å; E77-R79 PolarHBondContact OE2-NH2 2.92Å; E77-V457 HydrophobicContact CB-CB 4.24Å; E77-V457 PolarHBondContact N-O 3.44Å; E77-V457 PolarHBondContact O-N 3.26Å; E77-K459 VanDerWaalsContact CD-CE 3.45Å; E77-K459 VanDerWaalsContact OE1-CE 3.25Å; E77-K459 WeakPolarHBondContact OE1-CE 3.1Å; E77-K459 IonicContact OE1-NZ 2.96Å; E77-K459 PolarHBondContact OE1-NZ 3.24Å; E77-K459 VanDerWaalsContact OE2-CE 3.3Å; E77-K459 WeakPolarHBondContact OE2-CE 3.06Å; E77-K459 IonicContact OE2-NZ 2.76Å; E77-K459 PolarHBondContact OE2-NZ 2.9Å; E77-K459 VanDerWaalsContact OE2-NZ 3.08Å
78L92.5Very high91.9Very high88 Ų8871.2 Ų71.246%0.46136%0.357SS..EExtended strand (participates in β ladder)trans-96.7119.8168.1-165.168.1000109F80 N454 E456L78-F80 HydrophobicContact CD2-CE1 4.22Å; L78-F80 HydrophobicContact CD2-CE2 4.17Å; L78-F80 HydrophobicContact CD2-CZ 3.62Å; L78-F80 HydrophobicContact CG-CE2 4.31Å; L78-F80 HydrophobicContact CG-CZ 4.16Å; L78-N454 HydrophobicContact CD1-CB 4.4Å; L78-N454 HydrophobicContact CG-CB 4.37Å; L78-E456 HydrophobicContact CD1-CB 4.49Å
79R91Very high92.1Very high74 Ų7466.4 Ų66.428%0.27933%0.332SS..EExtended strand (participates in β ladder)trans-109.4131.2-178.5-65.4-171.1177.5-149.6-4110.6E77 N454 Y455 V457E77-R79 IonicContact OE2-CZ 3.45Å; E77-R79 IonicContact OE2-NE 3.13Å; E77-R79 PolarHBondContact OE2-NE 3.49Å; E77-R79 VanDerWaalsContact OE2-NE 3.08Å; E77-R79 IonicContact OE2-NH2 2.65Å; E77-R79 PolarHBondContact OE2-NH2 2.92Å; R79-N454 CarbonylContact O-C 3.47Å; R79-N454 WeakPolarHBondContact O-CA 3.3Å; R79-N454 WeakPolarHBondContact O-CB 3.24Å; R79-Y455 HydrophobicContact CB-CD1 4.04Å; R79-Y455 HydrophobicContact CB-CD2 4.25Å; R79-Y455 HydrophobicContact CB-CE1 3.61Å; R79-Y455 HydrophobicContact CB-CE2 3.86Å; R79-Y455 HydrophobicContact CB-CG 4.34Å; R79-Y455 WeakPolarHBondContact CD-OH 3.29Å; R79-Y455 HydrophobicContact CG-CE2 4.21Å; R79-Y455 PolarHBondContact N-O 3.26Å; R79-Y455 PolarHBondContact O-N 2.77Å; R79-V457 HydrophobicContact CG-CG2 4.14Å
80F86Confident92.2Very high154 Ų15458.3 Ų58.368%0.67530%0.301SS*.  trans-101.29.2-177-63.5-88.1000113.2L78 N454L78-F80 HydrophobicContact CD2-CE1 4.22Å; L78-F80 HydrophobicContact CD2-CE2 4.17Å; L78-F80 HydrophobicContact CD2-CZ 3.62Å; L78-F80 HydrophobicContact CG-CE2 4.31Å; L78-F80 HydrophobicContact CG-CZ 4.16Å; F80-N454 HydrophobicContact CD1-CB 3.73Å; F80-N454 HydrophobicContact CE1-CB 4Å; F80-N454 HydrophobicContact CG-CB 4.34Å
81E82.1Confident92.3Very high115 Ų11555.1 Ų55.154%0.53729%0.287SS..SBendtrans-70.7142.7175-61.1160.7167.500110.1S83 Y455E81-S83 PolarHBondContact O-N 2.85Å; E81-S83 VanDerWaalsContact O-N 3.09Å; E81-Y455 HydrophobicContact CB-CE1 4.18Å; E81-Y455 PolarHBondContact OE2-OH 3.5Å
82T76.9Confident92.4Very high87 Ų8751.9 Ų51.953%0.53427%0.272SS..  trans-67.6109.6175.2520000110.3
83S79.1Confident92.4Very high33 Ų3350.5 Ų50.523%0.23126%0.263CS..PPolyproline II helixtrans-70.8157.8171.7-163.20000111.9E81 L350E81-S83 PolarHBondContact O-N 2.85Å; E81-S83 VanDerWaalsContact O-N 3.09Å; S83-L350 WeakPolarHBondContact OG-CD2 3.44Å
84Q88.4Confident92.4Very high83 Ų8347.5 Ų47.539%0.38824%0.244SC..BIsolated β-bridgetrans-66.9146.7168.8-63.5-179.7-8.800109.9N286Q84-N286 VanDerWaalsContact NE2-CG 3.29Å; Q84-N286 PolarHBondContact NE2-OD1 2.89Å
85F93.7Very high92.3Very high2 Ų243.8 Ų43.81%0.00922%0.221CC..PPolyproline II helixtrans-70.9135.7172.8-165.4-103.9000109V88 F254 F279 N280 R287 T289 L298 I448 F450F85-V88 HydrophobicContact CE1-CG2 3.7Å; F85-V88 HydrophobicContact CZ-CG2 4.22Å; F85-F254 HydrophobicContact CB-CE2 4.17Å; F85-F254 HydrophobicContact CB-CZ 3.95Å; F85-F254 AromaticContact CD1-CE2 3.72Å; F85-F254 HydrophobicContact CD1-CE2 3.72Å; F85-F254 HydrophobicContact CD1-CZ 4.26Å; F85-F254 AromaticContact CD2-CE2 3.86Å; F85-F254 HydrophobicContact CD2-CE2 3.86Å; F85-F254 HydrophobicContact CD2-CZ 4.39Å; F85-F254 AromaticContact CE1-CE2 3.99Å; F85-F254 HydrophobicContact CE1-CE2 3.99Å; F85-F254 HydrophobicContact CE2-CE2 4.13Å; F85-F254 AromaticContact CG-CE2 3.64Å; F85-F254 HydrophobicContact CG-CE2 3.64Å; F85-F254 AromaticContact CG-CZ 3.95Å; F85-F254 HydrophobicContact CG-CZ 3.95Å; F85-F254 HydrophobicContact CZ-CE2 4.19Å; F85-F279 HydrophobicContact CD1-CD1 4.23Å; F85-F279 HydrophobicContact CD1-CE1 4.03Å; F85-F279 HydrophobicContact CE1-CD1 4.13Å; F85-F279 HydrophobicContact CE1-CE1 4.11Å; F85-N280 PolarHBondContact O-ND2 2.03Å; F85-R287 PolarHBondContact N-O 3.49Å; F85-T289 HydrophobicContact CD2-CG2 3.53Å; F85-T289 HydrophobicContact CE2-CG2 4.11Å; F85-T289 HydrophobicContact CG-CG2 4.35Å; F85-L298 HydrophobicContact CE1-CB 3.9Å; F85-L298 HydrophobicContact CE1-CD2 4.34Å; F85-L298 HydrophobicContact CZ-CB 3.74Å; F85-I448 HydrophobicContact CZ-CB 4.48Å; F85-I448 HydrophobicContact CZ-CG2 4.18Å; F85-I448 WeakPolarHBondContact CZ-O 3.41Å; F85-F450 HydrophobicContact CD2-CD2 4.28Å; F85-F450 AromaticContact CD2-CE2 3.84Å; F85-F450 HydrophobicContact CD2-CE2 3.84Å; F85-F450 HydrophobicContact CD2-CZ 4.47Å
86P95.1Very high92.3Very high24 Ų2440.1 Ų40.116%0.15620%0.204CC..PPolyproline II helixtrans-67.6170.4-178.829-36.3000112.1V322 H323 L348P86-V322 HydrophobicContact CB-CG1 3.63Å; P86-V322 HydrophobicContact CG-CG1 3.41Å; P86-V322 VanDerWaalsContact CG-CG1 3.41Å; P86-H323 WeakPolarHBondContact CB-O 3.35Å; P86-L348 HydrophobicContact CG-CD1 3.81Å
87V96.4Very high92.2Very high1 Ų137.6 Ų37.61%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-69.4134.4165.3-175.30000108.3M278 F279 V322 H323 Q325V87-M278 HydrophobicContact CG1-CB 3.97Å; V87-F279 WeakPolarHBondContact CA-O 3.42Å; V87-F279 WeakPolarHBondContact CG1-O 3.24Å; V87-V322 WeakPolarHBondContact O-CA 3.32Å; V87-H323 VanDerWaalsContact CG1-CE1 3.49Å; V87-H323 WeakPolarHBondContact CG1-CE1 3.19Å; V87-H323 WeakPolarHBondContact CG1-NE2 3.32Å; V87-H323 PolarHBondContact N-O 2.83Å; V87-H323 PolarHBondContact O-N 3.29Å; V87-Q325 HydrophobicContact CG2-CB 4.12Å; V87-Q325 HydrophobicContact CG2-CG 3.81Å
88V97.3Very high92.1Very high0 Ų036.7 Ų36.70%018%0.183CC..EExtended strand (participates in β ladder)trans-114.9108.1171.8-179.50000108.6F85 L90 F279 L298 L320 I448F85-V88 HydrophobicContact CE1-CG2 3.7Å; F85-V88 HydrophobicContact CZ-CG2 4.22Å; V88-L90 HydrophobicContact CG1-CD2 4.35Å; V88-L90 HydrophobicContact CG1-CG 4.49Å; V88-F279 HydrophobicContact CB-CB 4.32Å; V88-F279 PolarHBondContact N-O 3.04Å; V88-F279 VanDerWaalsContact N-O 3.14Å; V88-F279 PolarHBondContact O-N 2.75Å; V88-L298 HydrophobicContact CB-CD2 3.83Å; V88-L298 HydrophobicContact CG1-CD2 3.98Å; V88-L298 HydrophobicContact CG2-CD2 4Å; V88-L320 HydrophobicContact CG1-CD1 3.39Å; V88-I448 HydrophobicContact CG1-CD1 4.3Å; V88-I448 HydrophobicContact CG1-CG1 4.42Å; V88-I448 HydrophobicContact CG2-CG2 4.15Å
89T98Very high92.2Very high0 Ų035.6 Ų35.60%018%0.182CC..EExtended strand (participates in β ladder)trans-100.4123.4-178.3-680000110C276 M278 L320 V321 H323 P329T89-C276 HydrophobicContact CG2-CB 4.11Å; T89-M278 HydrophobicContact CG2-CG 4.01Å; T89-M278 VanDerWaalsContact OG1-CG 3.27Å; T89-M278 WeakPolarHBondContact OG1-CG 3.49Å; T89-L320 CarbonylContact O-C 3.59Å; T89-L320 WeakPolarHBondContact O-CA 3.17Å; T89-V321 PolarHBondContact N-O 3.13Å; T89-V321 PolarHBondContact O-N 2.85Å; T89-H323 PolarHBondContact OG1-NE2 3.23Å; T89-P329 HydrophobicContact CG2-CB 4.22Å
90L97.6Very high92.3Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-115122-177-58.9164.7000109.8V88 F248 I249 F265 C276 Y277 L300 V318 L320 L446V88-L90 HydrophobicContact CG1-CD2 4.35Å; V88-L90 HydrophobicContact CG1-CG 4.49Å; L90-F248 HydrophobicContact CB-CE1 3.87Å; L90-F248 HydrophobicContact CB-CZ 4.47Å; L90-I249 HydrophobicContact CD1-CD1 4.44Å; L90-F265 HydrophobicContact CD1-CE1 3.89Å; L90-C276 CarbonylContact O-C 3.48Å; L90-C276 WeakPolarHBondContact O-CA 3.47Å; L90-Y277 PolarHBondContact N-O 2.98Å; L90-Y277 PolarHBondContact O-N 3Å; L90-L300 HydrophobicContact CD1-CD1 3.59Å; L90-L300 HydrophobicContact CD2-CD1 4.25Å; L90-L300 HydrophobicContact CG-CD1 4.49Å; L90-V318 HydrophobicContact CB-CG1 4.34Å; L90-V318 HydrophobicContact CD2-CG1 4.04Å; L90-L320 HydrophobicContact CD2-CD1 3.47Å; L90-L320 VanDerWaalsContact CD2-CD1 3.47Å; L90-L446 HydrophobicContact CD2-CD1 3.62Å
91C97.7Very high92.5Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-120144.9174.7-53.50000110.6Y273 C276 V318 R319C91-Y273 HydrophobicContact CB-CG 4.21Å; C91-C276 HydrophobicContact CB-CB 4.07Å; C91-C276 WeakPolarHBondContact CB-SG 3.46Å; C91-C276 WeakPolarHBondContact SG-CB 3.43Å; C91-C276 CovalentContact SG-SG 2.03Å; C91-C276 PolarHBondContact SG-SG 3.49Å; C91-V318 CarbonylContact O-C 3.57Å; C91-V318 WeakPolarHBondContact O-CA 2.98Å; C91-V318 WeakPolarHBondContact O-CG1 3.04Å; C91-R319 HydrophobicContact CB-CB 4.34Å; C91-R319 PolarHBondContact N-O 2.79Å; C91-R319 PolarHBondContact O-N 3.32Å
92N96.5Very high92.7Very high3 Ų325.8 Ų25.82%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-70.4137.9165.2-170.3-5.3000108.7N94 Q243 F248 Y309N92-N94 WeakPolarHBondContact CB-O 3.43Å; N92-N94 VanDerWaalsContact CG-O 3.31Å; N92-N94 PolarHBondContact ND2-O 3.14Å; N92-N94 PolarHBondContact O-N 2.9Å; N92-N94 PolarHBondContact OD1-N 2.87Å; N92-N94 VanDerWaalsContact OD1-N 3.16Å; N92-Q243 HydrophobicContact CB-CB 4.45Å; N92-F248 HydrophobicContact CB-CE2 3.9Å; N92-F248 HydrophobicContact CB-CZ 4.37Å; N92-Y309 PolarHBondContact OD1-OH 2.89Å
93I95Very high93.1Very high23 Ų2328.4 Ų28.412%0.11815%0.149CC..SBendtrans-65.8-26.8174.4-66.7174.6000110.6T313 A315 G317 R319 N337I93-T313 HydrophobicContact CG2-CG2 4.1Å; I93-A315 VanDerWaalsContact CG2-O 3.31Å; I93-A315 WeakPolarHBondContact CG2-O 3.48Å; I93-G317 WeakPolarHBondContact CG1-O 3.41Å; I93-G317 PolarHBondContact N-O 3.31Å; I93-R319 HydrophobicContact CG1-CB 4.32Å; I93-N337 HydrophobicContact CD1-CB 4.38Å
94N95.1Very high93.5Very high4 Ų428.3 Ų28.32%0.02115%0.147CC..SBendtrans-86.6116.9169.2-174.157.8000111N92 Y96 Y309 L310 T313N92-N94 WeakPolarHBondContact CB-O 3.43Å; N92-N94 VanDerWaalsContact CG-O 3.31Å; N92-N94 PolarHBondContact ND2-O 3.14Å; N92-N94 PolarHBondContact O-N 2.9Å; N92-N94 PolarHBondContact OD1-N 2.87Å; N92-N94 VanDerWaalsContact OD1-N 3.16Å; N94-Y96 PolarHBondContact ND2-O 2.86Å; N94-Y96 PolarHBondContact O-N 2.89Å; N94-Y309 HydrophobicContact CB-CD1 3.42Å; N94-Y309 VanDerWaalsContact CB-CD1 3.42Å; N94-Y309 HydrophobicContact CB-CD2 3.76Å; N94-Y309 HydrophobicContact CB-CE1 3.43Å; N94-Y309 VanDerWaalsContact CB-CE1 3.43Å; N94-Y309 HydrophobicContact CB-CE2 3.72Å; N94-Y309 HydrophobicContact CB-CG 3.62Å; N94-L310 WeakPolarHBondContact OD1-CG 3.24Å; N94-L310 PolarHBondContact OD1-N 2.81Å; N94-T313 HydrophobicContact CB-CG2 3.98Å; N94-T313 PolarHBondContact OD1-OG1 3.04Å
95P94.1Very high93.3Very high16 Ų1629.2 Ų29.210%0.10416%0.155CC..  trans-73.4-30.4-172.426.9-34.3000114.2S242 V272 Y273 L310P95-S242 VanDerWaalsContact O-CB 3.24Å; P95-S242 WeakPolarHBondContact O-CB 3.34Å; P95-S242 PolarHBondContact O-OG 3.22Å; P95-V272 WeakPolarHBondContact CB-O 3.49Å; P95-Y273 WeakPolarHBondContact CA-O 2.96Å; P95-L310 HydrophobicContact CG-CD1 4.1Å
96Y94.9Very high92.7Very high3 Ų334.7 Ų34.71%0.01218%0.18CC..SBendtrans-145.1142.6-173.9-53.8-73.7000111.5N94 N98 V101 M230 R238 L241 L310N94-Y96 PolarHBondContact ND2-O 2.86Å; N94-Y96 PolarHBondContact O-N 2.89Å; Y96-N98 PolarHBondContact O-N 2.95Å; Y96-V101 HydrophobicContact CG-CG2 4.22Å; Y96-M230 HydrophobicContact CD1-CE 3.67Å; Y96-M230 HydrophobicContact CD2-CE 3.88Å; Y96-M230 HydrophobicContact CD2-CG 4.03Å; Y96-M230 HydrophobicContact CD2-SD 4.39Å; Y96-M230 HydrophobicContact CE1-CE 3.51Å; Y96-M230 HydrophobicContact CE2-CB 3.9Å; Y96-M230 HydrophobicContact CE2-CE 3.75Å; Y96-M230 HydrophobicContact CE2-CG 3.59Å; Y96-M230 HydrophobicContact CE2-SD 4.34Å; Y96-M230 HydrophobicContact CG-CE 3.87Å; Y96-R238 HydrophobicContact CE1-CB 4.18Å; Y96-R238 PolarHBondContact OH-NE 3.48Å; Y96-L241 CarbonylContact C-O 3.56Å; Y96-L241 WeakPolarHBondContact CA-O 3.32Å; Y96-L241 HydrophobicContact CD1-CB 3.99Å; Y96-L310 WeakPolarHBondContact O-CG 3.28Å
97K94.5Very high92.2Very high37 Ų3733.5 Ų33.516%0.16117%0.173CC..  trans-64.4123.9178.6-74.3-169.4-178.8-175.50110.3S99 L100 V101 L241 D247 D308K97-S99 VanDerWaalsContact C-N 3.32Å; K97-S99 PolarHBondContact O-N 3.35Å; K97-L100 HydrophobicContact CB-CB 4.25Å; K97-L100 HydrophobicContact CB-CD1 4.06Å; K97-L100 HydrophobicContact CB-CG 4.01Å; K97-L100 HydrophobicContact CD-CD1 4Å; K97-L100 HydrophobicContact CD-CG 4.48Å; K97-L100 PolarHBondContact O-N 2.74Å; K97-V101 WeakPolarHBondContact O-CB 3.48Å; K97-V101 VanDerWaalsContact O-CG2 3.27Å; K97-V101 WeakPolarHBondContact O-CG2 3.17Å; K97-V101 PolarHBondContact O-N 2.98Å; K97-L241 PolarHBondContact N-O 2.92Å; K97-D247 IonicContact NZ-OD2 3.52Å; K97-D247 PolarHBondContact NZ-OD2 3.16Å; K97-D308 WeakPolarHBondContact CB-OD2 3.49Å; K97-D308 WeakPolarHBondContact CG-OD2 3.03Å
98N92.9Very high91.6Very high24 Ų2437.6 Ų37.613%0.12819%0.19CC..Hα-helixtrans-61.1-42.9-175.9-173.723.1000111.7Y96 L100 V101 Q102 D308 Y309 L310Y96-N98 PolarHBondContact O-N 2.95Å; N98-L100 VanDerWaalsContact C-N 3.29Å; N98-L100 PolarHBondContact O-N 2.82Å; N98-V101 PolarHBondContact O-N 3.19Å; N98-Q102 WeakPolarHBondContact O-CG 3.43Å; N98-Q102 PolarHBondContact O-N 2.91Å; N98-Q102 VanDerWaalsContact O-N 3.11Å; N98-Q102 PolarHBondContact OD1-NE2 3.13Å; N98-D308 VanDerWaalsContact CB-O 3.29Å; N98-D308 WeakPolarHBondContact CB-O 3.48Å; N98-D308 PolarHBondContact N-O 2.91Å; N98-D308 PolarHBondContact N-OD1 2.81Å; N98-D308 VanDerWaalsContact N-OD1 3.11Å; N98-Y309 PolarHBondContact ND2-O 2.96Å; N98-L310 HydrophobicContact CB-CD2 4.06Å
99S93.2Very high90.9Very high64 Ų6445.9 Ų45.945%0.44822%0.222SC..Hα-helixtrans-49-44.6172.855.10000113.5K97 D308K97-S99 VanDerWaalsContact C-N 3.32Å; K97-S99 PolarHBondContact O-N 3.35Å; S99-D308 VanDerWaalsContact CB-OD1 3.22Å; S99-D308 WeakPolarHBondContact CB-OD1 3.27Å; S99-D308 PolarHBondContact N-OD1 2.81Å; S99-D308 VanDerWaalsContact OG-CG 3.3Å; S99-D308 PolarHBondContact OG-OD1 2.82Å; S99-D308 PolarHBondContact OG-OD2 3.42Å
100L93Very high90Very high56 Ų5647.2 Ų47.229%0.29323%0.228SC..Hα-helixtrans-84.2-37.9-178.9-56.9-178000112.7K97 N98 Q102 E103 L241K97-L100 HydrophobicContact CB-CB 4.25Å; K97-L100 HydrophobicContact CB-CD1 4.06Å; K97-L100 HydrophobicContact CB-CG 4.01Å; K97-L100 HydrophobicContact CD-CD1 4Å; K97-L100 HydrophobicContact CD-CG 4.48Å; K97-L100 PolarHBondContact O-N 2.74Å; N98-L100 VanDerWaalsContact C-N 3.29Å; N98-L100 PolarHBondContact O-N 2.82Å; L100-Q102 PolarHBondContact O-N 3.13Å; L100-E103 VanDerWaalsContact O-CB 3.29Å; L100-E103 WeakPolarHBondContact O-CB 3.43Å; L100-E103 WeakPolarHBondContact O-CG 3.5Å; L100-E103 PolarHBondContact O-N 3.04Å; L100-L241 HydrophobicContact CB-CD2 3.63Å
101V90.4Very high89.2Confident0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-66.6-27.7-178.9172.30000112.2Y96 K97 N98 E103 V104 M107 F111 L241 L310Y96-V101 HydrophobicContact CG-CG2 4.22Å; K97-V101 WeakPolarHBondContact O-CB 3.48Å; K97-V101 VanDerWaalsContact O-CG2 3.27Å; K97-V101 WeakPolarHBondContact O-CG2 3.17Å; K97-V101 PolarHBondContact O-N 2.98Å; N98-V101 PolarHBondContact O-N 3.19Å; V101-E103 PolarHBondContact O-N 2.77Å; V101-V104 WeakPolarHBondContact O-CB 3.05Å; V101-V104 PolarHBondContact O-N 3.18Å; V101-V104 VanDerWaalsContact O-N 3.08Å; V101-M107 HydrophobicContact CG1-CB 3.6Å; V101-M107 HydrophobicContact CG1-CE 3.57Å; V101-M107 HydrophobicContact CG1-CG 3.86Å; V101-F111 HydrophobicContact CG1-CD2 4.5Å; V101-F111 HydrophobicContact CG1-CE2 3.8Å; V101-L241 HydrophobicContact CG2-CB 4.45Å; V101-L310 HydrophobicContact CB-CD2 4.19Å; V101-L310 HydrophobicContact CG1-CD2 4.25Å; V101-L310 HydrophobicContact CG2-CD2 4.33Å
102Q86.4Confident88.2Confident81 Ų8151.7 Ų51.738%0.37925%0.249SC..THydrogen-bonded Turntrans-69.1-9.3173.3-72.1-177.931.700114.4N98 L100 V104 K108N98-Q102 WeakPolarHBondContact O-CG 3.43Å; N98-Q102 PolarHBondContact O-N 2.91Å; N98-Q102 VanDerWaalsContact O-N 3.11Å; N98-Q102 PolarHBondContact OD1-NE2 3.13Å; L100-Q102 PolarHBondContact O-N 3.13Å; Q102-V104 VanDerWaalsContact C-N 3.34Å; Q102-K108 WeakPolarHBondContact O-CD 3.35Å
103E86.9Confident87.1Confident142 Ų14258.6 Ų58.666%0.66428%0.279SS*.THydrogen-bonded Turntrans-76.7-21.4169-56.3-173.4159.800112.2L100 V101L100-E103 VanDerWaalsContact O-CB 3.29Å; L100-E103 WeakPolarHBondContact O-CB 3.43Å; L100-E103 WeakPolarHBondContact O-CG 3.5Å; L100-E103 PolarHBondContact O-N 3.04Å; V101-E103 PolarHBondContact O-N 2.77Å
104V85.9Confident85.9Confident32 Ų3258.8 Ų58.819%0.19428%0.279CS..SBendtrans-83.2117.2175.9-178.40000110V101 Q102 E106 M107 K108 M233 L241V101-V104 WeakPolarHBondContact O-CB 3.05Å; V101-V104 PolarHBondContact O-N 3.18Å; V101-V104 VanDerWaalsContact O-N 3.08Å; Q102-V104 VanDerWaalsContact C-N 3.34Å; V104-E106 VanDerWaalsContact C-N 3.35Å; V104-E106 PolarHBondContact O-N 2.93Å; V104-M107 HydrophobicContact CB-CB 4.11Å; V104-M107 HydrophobicContact CB-CG 4.21Å; V104-M107 HydrophobicContact CG1-CB 4.31Å; V104-M107 HydrophobicContact CG1-CG 4.09Å; V104-M107 PolarHBondContact O-N 3.15Å; V104-K108 VanDerWaalsContact O-CB 3.28Å; V104-K108 WeakPolarHBondContact O-CB 3.24Å; V104-K108 PolarHBondContact O-N 3.36Å; V104-M233 HydrophobicContact CB-CE 4.38Å; V104-M233 HydrophobicContact CG1-CE 3.58Å; V104-M233 HydrophobicContact CG2-CE 4.17Å; V104-L241 HydrophobicContact CG2-CD1 3.99Å
105D84.8Confident84.8Confident102 Ų10263.4 Ų63.455%0.54530%0.301SS..Hα-helixtrans-53.8-42.7-176-88.5-32.7000114.7R109D105-R109 WeakPolarHBondContact O-CB 3.48Å; D105-R109 WeakPolarHBondContact O-CD 3.37Å; D105-R109 WeakPolarHBondContact O-CG 3.19Å; D105-R109 PolarHBondContact O-N 3.48Å
106E80.7Confident83.6Confident116 Ų11670.7 Ų70.754%0.54233%0.331SS..Hα-helixtrans-67.3-46.5-178.7-63.1-175.3163.400111.8V104 R109 M110 I229V104-E106 VanDerWaalsContact C-N 3.35Å; V104-E106 PolarHBondContact O-N 2.93Å; E106-R109 PolarHBondContact O-N 2.93Å; E106-M110 WeakPolarHBondContact O-CB 3.46Å; E106-M110 PolarHBondContact O-N 2.94Å; E106-I229 HydrophobicContact CB-CG2 4.16Å
107M84.1Confident82Confident0 Ų074.4 Ų74.40%035%0.351CS..Hα-helixtrans-64.5-41.8176.6-69.3-61.9-65.500111.5V101 V104 M110 F111 T226 I229 M230 M233V101-M107 HydrophobicContact CG1-CB 3.6Å; V101-M107 HydrophobicContact CG1-CE 3.57Å; V101-M107 HydrophobicContact CG1-CG 3.86Å; V104-M107 HydrophobicContact CB-CB 4.11Å; V104-M107 HydrophobicContact CB-CG 4.21Å; V104-M107 HydrophobicContact CG1-CB 4.31Å; V104-M107 HydrophobicContact CG1-CG 4.09Å; V104-M107 PolarHBondContact O-N 3.15Å; M107-M110 HydrophobicContact CE-CE 3.48Å; M107-M110 VanDerWaalsContact CE-CE 3.48Å; M107-M110 PolarHBondContact O-N 3.24Å; M107-M110 HydrophobicContact SD-CE 3.59Å; M107-M110 VanDerWaalsContact SD-CE 3.59Å; M107-F111 HydrophobicContact CE-CD2 4.41Å; M107-F111 HydrophobicContact CE-CE2 3.47Å; M107-F111 VanDerWaalsContact CE-CE2 3.47Å; M107-F111 HydrophobicContact CE-CZ 3.63Å; M107-F111 WeakPolarHBondContact O-CD2 3.19Å; M107-F111 PolarHBondContact O-N 3.35Å; M107-T226 HydrophobicContact CE-CG2 3.5Å; M107-T226 VanDerWaalsContact CE-CG2 3.5Å; M107-I229 HydrophobicContact CG-CG2 3.97Å; M107-I229 HydrophobicContact SD-CB 3.87Å; M107-I229 HydrophobicContact SD-CD1 3.98Å; M107-I229 HydrophobicContact SD-CG2 3.61Å; M107-M230 HydrophobicContact CE-CG 4.45Å; M107-M230 HydrophobicContact CE-SD 4.41Å; M107-M230 HydrophobicContact CG-SD 4.1Å; M107-M230 HydrophobicContact SD-CG 4.32Å; M107-M230 HydrophobicContact SD-SD 4.21Å; M107-M233 HydrophobicContact CG-CE 4.25Å
108K85.5Confident80.3Confident86 Ų8678.4 Ų78.437%0.37437%0.368SS..Hα-helixtrans-59.3-46.2174.3-171.4-176.5-159.7155.90111.7Q102 V104 Q112Q102-K108 WeakPolarHBondContact O-CD 3.35Å; V104-K108 VanDerWaalsContact O-CB 3.28Å; V104-K108 WeakPolarHBondContact O-CB 3.24Å; V104-K108 PolarHBondContact O-N 3.36Å; K108-Q112 WeakPolarHBondContact O-CB 3.41Å; K108-Q112 WeakPolarHBondContact O-CG 3.4Å; K108-Q112 PolarHBondContact O-N 3.37Å
109R81.1Confident78.2Confident174 Ų17480.4 Ų80.466%0.65738%0.383SS*.Hα-helixtrans-62.6-44.2175.6-72.2167.5-166.1-160.37.7111.5D105 E106 F113D105-R109 WeakPolarHBondContact O-CB 3.48Å; D105-R109 WeakPolarHBondContact O-CD 3.37Å; D105-R109 WeakPolarHBondContact O-CG 3.19Å; D105-R109 PolarHBondContact O-N 3.48Å; E106-R109 PolarHBondContact O-N 2.93Å; R109-F113 WeakPolarHBondContact O-CB 3.38Å; R109-F113 PolarHBondContact O-N 2.79Å
110M80Confident76Confident28 Ų2882.5 Ų82.514%0.13840%0.397CS..Hα-helixtrans-61.8-48.8177.5-179.7-176.363.800111.9E106 M107 F113 F114 N225 T226 I229E106-M110 WeakPolarHBondContact O-CB 3.46Å; E106-M110 PolarHBondContact O-N 2.94Å; M107-M110 HydrophobicContact CE-CE 3.48Å; M107-M110 VanDerWaalsContact CE-CE 3.48Å; M107-M110 PolarHBondContact O-N 3.24Å; M107-M110 HydrophobicContact SD-CE 3.59Å; M107-M110 VanDerWaalsContact SD-CE 3.59Å; M110-F113 PolarHBondContact O-N 3.28Å; M110-F114 WeakPolarHBondContact O-CB 3.21Å; M110-F114 PolarHBondContact O-N 2.93Å; M110-N225 HydrophobicContact SD-CB 3.67Å; M110-T226 VanDerWaalsContact CE-OG1 3.25Å; M110-T226 WeakPolarHBondContact CE-OG1 3.1Å; M110-I229 HydrophobicContact CE-CD1 4.15Å; M110-I229 HydrophobicContact SD-CD1 3.68Å
111F80.5Confident73.5Confident7 Ų786.3 Ų86.33%0.03143%0.429CS..Hα-helixtrans-69.3-36.8179.5-70.2-46.9000112.6V101 M107 F113 F114 E115 L310 T312V101-F111 HydrophobicContact CG1-CD2 4.5Å; V101-F111 HydrophobicContact CG1-CE2 3.8Å; M107-F111 HydrophobicContact CE-CD2 4.41Å; M107-F111 HydrophobicContact CE-CE2 3.47Å; M107-F111 VanDerWaalsContact CE-CE2 3.47Å; M107-F111 HydrophobicContact CE-CZ 3.63Å; M107-F111 WeakPolarHBondContact O-CD2 3.19Å; M107-F111 PolarHBondContact O-N 3.35Å; F111-F113 VanDerWaalsContact C-N 3.28Å; F111-F113 PolarHBondContact O-N 2.94Å; F111-F114 WeakPolarHBondContact O-CB 3.32Å; F111-F114 PolarHBondContact O-N 2.99Å; F111-F114 VanDerWaalsContact O-N 3.13Å; F111-E115 WeakPolarHBondContact O-CB 3.04Å; F111-E115 WeakPolarHBondContact O-CG 3.44Å; F111-E115 PolarHBondContact O-N 2.74Å; F111-L310 HydrophobicContact CE2-CD2 3.8Å; F111-L310 HydrophobicContact CZ-CB 4.35Å; F111-L310 HydrophobicContact CZ-CD1 4.3Å; F111-L310 HydrophobicContact CZ-CD2 3.93Å; F111-L310 HydrophobicContact CZ-CG 4.42Å; F111-T312 HydrophobicContact CD1-CG2 4.49Å; F111-T312 HydrophobicContact CE1-CG2 3.79Å
112Q77.7Confident70.8Confident88 Ų8889.1 Ų89.141%0.41146%0.457SS..Hα-helixtrans-60.5-37.6171.1-76178.57.500112.5K108 K116K108-Q112 WeakPolarHBondContact O-CB 3.41Å; K108-Q112 WeakPolarHBondContact O-CG 3.4Å; K108-Q112 PolarHBondContact O-N 3.37Å; Q112-K116 VanDerWaalsContact O-CB 3.3Å; Q112-K116 WeakPolarHBondContact O-CB 3.3Å; Q112-K116 WeakPolarHBondContact O-CD 3.29Å; Q112-K116 WeakPolarHBondContact O-CG 3.44Å; Q112-K116 PolarHBondContact O-N 2.74Å; Q112-K116 VanDerWaalsContact O-N 3.13Å
113F71.8Confident68.2Low148 Ų14892.4 Ų92.465%0.64948%0.478SS*.Hα-helixtrans-69.1-39.6173.3-176.2-92.1000111.7R109 M110 F111 N117R109-F113 WeakPolarHBondContact O-CB 3.38Å; R109-F113 PolarHBondContact O-N 2.79Å; M110-F113 PolarHBondContact O-N 3.28Å; F111-F113 VanDerWaalsContact C-N 3.28Å; F111-F113 PolarHBondContact O-N 2.94Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.43Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.4Å; F113-N117 VanDerWaalsContact CZ-ND2 3.35Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.49Å; F113-N117 WeakPolarHBondContact O-CB 3.48Å; F113-N117 PolarHBondContact O-N 3.25Å; F113-N117 PolarHBondContact O-ND2 3.03Å
114F71.4Confident65.7Low26 Ų2690.6 Ų90.611%0.11449%0.487CS..Hα-helixtrans-63.7-48.7177.3-177-103.3000112.2M110 F111 N117 K118 K218 V219 A222 P311 T312M110-F114 WeakPolarHBondContact O-CB 3.21Å; M110-F114 PolarHBondContact O-N 2.93Å; F111-F114 WeakPolarHBondContact O-CB 3.32Å; F111-F114 PolarHBondContact O-N 2.99Å; F111-F114 VanDerWaalsContact O-N 3.13Å; F114-N117 CarbonylContact O-C 3.57Å; F114-N117 PolarHBondContact O-N 3.01Å; F114-K118 PolarHBondContact O-N 3.43Å; F114-K118 VanDerWaalsContact O-N 3.08Å; F114-K218 HydrophobicContact CE2-CB 4.05Å; F114-V219 HydrophobicContact CZ-CB 4.5Å; F114-V219 HydrophobicContact CZ-CG2 3.79Å; F114-A222 HydrophobicContact CD2-CB 3.65Å; F114-A222 HydrophobicContact CE2-CB 3.75Å; F114-A222 HydrophobicContact CG-CB 4.39Å; F114-P311 HydrophobicContact CD1-CB 4.32Å; F114-P311 HydrophobicContact CE1-CB 4.16Å; F114-T312 HydrophobicContact CE1-CG2 4.21Å; F114-T312 HydrophobicContact CZ-CG2 4.22Å
115E71.9Confident63.3Low102 Ų10294.5 Ų94.548%0.47752%0.515SS..Hα-helixtrans-65.9-45.2179.4-71.7-175.3158.400112.4F111 N117 K118F111-E115 WeakPolarHBondContact O-CB 3.04Å; F111-E115 WeakPolarHBondContact O-CG 3.44Å; F111-E115 PolarHBondContact O-N 2.74Å; E115-N117 PolarHBondContact O-N 3.36Å; E115-K118 VanDerWaalsContact O-CB 3.3Å; E115-K118 WeakPolarHBondContact O-CB 3.47Å; E115-K118 PolarHBondContact O-N 2.88Å
116K67.6Low60.9Low169 Ų16999.4 Ų99.474%0.73553%0.532SS*.Hα-helixtrans-60.7-25.6176.1-75173.7-177.6174.70113.2Q112Q112-K116 VanDerWaalsContact O-CB 3.3Å; Q112-K116 WeakPolarHBondContact O-CB 3.3Å; Q112-K116 WeakPolarHBondContact O-CD 3.29Å; Q112-K116 WeakPolarHBondContact O-CG 3.44Å; Q112-K116 PolarHBondContact O-N 2.74Å; Q112-K116 VanDerWaalsContact O-N 3.13Å
117N60.9Low58.9Low80 Ų8097.5 Ų97.543%0.42854%0.543SS..THydrogen-bonded Turntrans-101.68.1177.9-69.7-61.6000113.6F113 F114 E115 K218F113-N117 WeakPolarHBondContact CE1-ND2 3.43Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.4Å; F113-N117 VanDerWaalsContact CZ-ND2 3.35Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.49Å; F113-N117 WeakPolarHBondContact O-CB 3.48Å; F113-N117 PolarHBondContact O-N 3.25Å; F113-N117 PolarHBondContact O-ND2 3.03Å; F114-N117 CarbonylContact O-C 3.57Å; F114-N117 PolarHBondContact O-N 3.01Å; E115-N117 PolarHBondContact O-N 3.36Å; N117-K218 PolarHBondContact O-NZ 2.91Å
118K59.2Low56.5Low121 Ų121107.1 Ų107.153%0.52659%0.585SS.*SBendtrans-75120.6169.4-167171-175.3173.10108F114 E115 S120F114-K118 PolarHBondContact O-N 3.43Å; F114-K118 VanDerWaalsContact O-N 3.08Å; E115-K118 VanDerWaalsContact O-CB 3.3Å; E115-K118 WeakPolarHBondContact O-CB 3.47Å; E115-K118 PolarHBondContact O-N 2.88Å; K118-S120 PolarHBondContact O-N 3.2Å; K118-S120 VanDerWaalsContact O-N 3.13Å
119P50Low54Low67 Ų67115.2 Ų115.244%0.43561%0.613SS.*  trans-71.6112.9-176.928.5-29.9000109.1S121 E215P119-S121 PolarHBondContact O-N 2.85Å; P119-S121 VanDerWaalsContact O-N 3.15Å; P119-E215 WeakPolarHBondContact CD-OE1 3.37Å; P119-E215 HydrophobicContact CG-CG 4.35Å; P119-E215 WeakPolarHBondContact CG-OE1 3.45Å
120S45.4Very low52.3Low108 Ų108113 Ų11376%0.75562%0.619SS**  trans-55.9122.6169.4-62.10000109.5K118 G122K118-S120 PolarHBondContact O-N 3.2Å; K118-S120 VanDerWaalsContact O-N 3.13Å; S120-G122 PolarHBondContact O-N 2.03Å
121S41.9Very low50.3Low136 Ų136122.9 Ų122.995%0.95166%0.655SS**SBendtrans-58.7104.2172.4-178.10000109P119P119-S121 PolarHBondContact O-N 2.85Å; P119-S121 VanDerWaalsContact O-N 3.15Å
122G33.8Very low48.2Very low58 Ų58134 Ų13460%0.59870%0.696SS**SBendtrans116.560.3-176.800000115.6S120S120-G122 PolarHBondContact O-N 2.03Å
123N30.5Very low46.7Very low151 Ų151137.4 Ų137.481%0.80772%0.715SS**  179.6114.6126.4-92.9-37.8000111.4S125N123-S125 VanDerWaalsContact C-N 3.32Å; N123-S125 PolarHBondContact O-N 3.25Å
124A34.8Very low45.4Very low103 Ų103134.9 Ų134.985%0.85172%0.722SS**  trans-72.286171.500000110.2K126A124-K126 PolarHBondContact O-N 3.29Å
125S35.8Very low44.4Very low114 Ų114137.4 Ų137.480%0.79774%0.743SS**  trans-59.1108.6174.8-710000110.4N123 G127N123-S125 VanDerWaalsContact C-N 3.32Å; N123-S125 PolarHBondContact O-N 3.25Å; S125-G127 PolarHBondContact O-N 3.17Å
126K35.1Very low43.1Very low206 Ų206137.3 Ų137.390%0.89675%0.753SS**  trans-53.3111.9-179.2-70.6177.4177.9174.10110.5A124 K128A124-K126 PolarHBondContact O-N 3.29Å; K126-K128 PolarHBondContact O-N 3.08Å
127G38.9Very low42.4Very low75 Ų75134.6 Ų134.677%0.77375%0.747SS**  trans-58128.8178.900000112S125 R129S125-G127 PolarHBondContact O-N 3.17Å; G127-R129 PolarHBondContact O-N 2.8Å
128K33.6Very low42.2Very low202 Ų202137 Ų13788%0.87876%0.755SS**  trans-60.5129.9171.4-86.7177.1172.3173.80109.5K126 V130K126-K128 PolarHBondContact O-N 3.08Å; K128-V130 PolarHBondContact O-N 3.09Å
129R32.4Very low42.1Very low257 Ų257138.2 Ų138.297%0.9776%0.763SS**  trans-60.3108.1169.4-91.2-179.6168.1171.7-3.8109.8G127G127-R129 PolarHBondContact O-N 2.8Å
130V46.1Very low42.8Very low128 Ų128142.8 Ų142.878%0.77678%0.778SS**PPolyproline II helixtrans-84.3138.6166-1780000108.6K128K128-V130 PolarHBondContact O-N 3.09Å
131R36.5Very low44Very low235 Ų235139.2 Ų139.289%0.88775%0.749SS**PPolyproline II helixtrans-65135.4176.6-89.2-179.9167.2163.8-4.6110.1I133R131-I133 PolarHBondContact O-N 2.83Å
132R36.2Very low45.6Very low240 Ų240136.1 Ų136.191%0.90672%0.717SS**PPolyproline II helixtrans-60.4125.8171.5-70.7179178.3159.9-2.2109.7
133I46.6Very low47.5Very low159 Ų159135 Ų13582%0.81570%0.695SS**PPolyproline II helixtrans-101.4121156.9-62.3169.9000105.3R131 S135R131-I133 PolarHBondContact O-N 2.83Å; I133-S135 PolarHBondContact O-N 2.79Å
134A45.9Very low49.8Very low96 Ų96131.5 Ų131.579%0.79367%0.672SS**  trans-75104173.200000108.3S136A134-S136 PolarHBondContact O-N 2.81Å; A134-S136 VanDerWaalsContact O-N 3.14Å
135S49.9Very low52Low78 Ų78131 Ų13155%0.54566%0.661SS.*  trans-72.3103.7172.1-171.10000108.9I133I133-S135 PolarHBondContact O-N 2.79Å
136S45.2Very low54.3Low100 Ų100128.8 Ų128.870%0.69964%0.639SS**  trans-61153.7168.245.30000111A134A134-S136 PolarHBondContact O-N 2.81Å; A134-S136 VanDerWaalsContact O-N 3.14Å
137N53.1Low56.7Low112 Ų112125.2 Ų125.260%0.59962%0.621SS**  trans72.164.8176.6-62.70.1000118E139N137-E139 PolarHBondContact O-N 2.69Å
138H55.9Low58.8Low131 Ų131121.8 Ų121.861%0.60659%0.585SS**THydrogen-bonded Turntrans-64.62160.8-75.9-82.2000115.1F141 K144H138-F141 HydrophobicContact CB-CD2 4.47Å; H138-F141 HydrophobicContact CB-CE2 4.46Å; H138-F141 AromaticContact ND1-CE2 3.73Å; H138-K144 VanDerWaalsContact O-CE 3.31Å; H138-K144 WeakPolarHBondContact O-CE 3.43Å; H138-K144 PolarHBondContact O-NZ 3.09Å
139E57.3Low61.3Low147 Ų147116.1 Ų116.169%0.68756%0.558SS**THydrogen-bonded Turntrans-78.2-31.6-174.5-121.8176.6175.800113.4N137 K179N137-E139 PolarHBondContact O-N 2.69Å; E139-K179 PolarHBondContact O-NZ 3.03Å
140H65Low63.7Low162 Ų162104.6 Ų104.675%0.7552%0.517SS*.SBendtrans-83.5-15.2-171.2-77.333.7000115.4
141F69.5Low65.6Low34 Ų34103.9 Ų103.915%0.14951%0.508CS..  trans-64.6136.2-175.5-62.4-48.5000113.5H138 K179 C201 G205H138-F141 HydrophobicContact CB-CD2 4.47Å; H138-F141 HydrophobicContact CB-CE2 4.46Å; H138-F141 AromaticContact ND1-CE2 3.73Å; F141-K179 WeakPolarHBondContact O-CD 3.46Å; F141-K179 WeakPolarHBondContact O-CE 3.48Å; F141-K179 PolarHBondContact O-NZ 2.83Å; F141-C201 HydrophobicContact CE1-CB 4.33Å; F141-C201 HydrophobicContact CZ-CB 4.27Å; F141-G205 VanDerWaalsContact CG-CA 3.47Å
142R75.6Confident67.8Low70 Ų7094.9 Ų94.926%0.26448%0.481SS..SBendtrans-66.4-43.6-179.6175.2174171.4-163.6-11.2111.9D178 K179 S204R142-D178 VanDerWaalsContact CG-OD1 3.25Å; R142-D178 WeakPolarHBondContact CG-OD1 3.41Å; R142-D178 IonicContact CZ-OD1 2.66Å; R142-D178 IonicContact CZ-OD2 2.77Å; R142-D178 IonicContact NE-OD1 3.06Å; R142-D178 PolarHBondContact NE-OD1 3.1Å; R142-D178 IonicContact NE-OD2 3.44Å; R142-D178 PolarHBondContact NE-OD2 2.96Å; R142-D178 IonicContact NH2-OD1 3.24Å; R142-D178 IonicContact NH2-OD2 3.08Å; R142-D178 PolarHBondContact NH2-OD2 2.75Å; R142-K179 WeakPolarHBondContact O-CB 3.49Å; R142-K179 VanDerWaalsContact O-CG 3.31Å; R142-K179 WeakPolarHBondContact O-CG 3.39Å; R142-K179 PolarHBondContact O-N 2.99Å; R142-S204 PolarHBondContact N-O 3.36Å
143Y74.5Confident69.8Low36 Ų3688.4 Ų88.414%0.14147%0.47CS..EExtended strand (participates in β ladder)trans-103.9145.3-177.2-53.2-77.6000111.3Y176 F177 D178 S204Y143-Y176 HydrophobicContact CD1-CD1 4Å; Y143-Y176 AromaticContact CD1-CE1 3.2Å; Y143-Y176 HydrophobicContact CD1-CE1 3.2Å; Y143-Y176 AromaticContact CD1-CZ 3.6Å; Y143-Y176 HydrophobicContact CD2-CE1 4.24Å; Y143-Y176 AromaticContact CD2-CZ 3.85Å; Y143-Y176 WeakPolarHBondContact CD2-OH 3.32Å; Y143-Y176 HydrophobicContact CE1-CD1 4.5Å; Y143-Y176 AromaticContact CE1-CE1 3.59Å; Y143-Y176 HydrophobicContact CE1-CE1 3.59Å; Y143-Y176 WeakPolarHBondContact CE2-OH 3.4Å; Y143-Y176 AromaticContact CG-CE1 3.56Å; Y143-Y176 HydrophobicContact CG-CE1 3.56Å; Y143-Y176 HydrophobicContact CG-CE2 4.26Å; Y143-Y176 AromaticContact CG-CZ 3.39Å; Y143-F177 VanDerWaalsContact CA-O 3.31Å; Y143-F177 WeakPolarHBondContact CA-O 3.39Å; Y143-D178 HydrophobicContact CD1-CB 3.71Å; Y143-D178 HydrophobicContact CE1-CB 3.61Å; Y143-S204 PolarHBondContact N-O 3.45Å
144K78.5Confident71.1Confident77 Ų7786.1 Ų86.134%0.33546%0.46SS..EExtended strand (participates in β ladder)trans-141149.8174.2-70.4-168.4169.6-171.20110.4H138 F177H138-K144 VanDerWaalsContact O-CE 3.31Å; H138-K144 WeakPolarHBondContact O-CE 3.43Å; H138-K144 PolarHBondContact O-NZ 3.09Å; K144-F177 PolarHBondContact N-O 3.14Å; K144-F177 WeakPolarHBondContact O-CB 3.45Å; K144-F177 PolarHBondContact O-N 3Å
145P80.5Confident72.1Confident93 Ų9388.4 Ų88.460%0.60445%0.454SS*.EExtended strand (participates in β ladder)trans-65.9133.3164.129.3-33.1000109.3L174 C175P145-L174 HydrophobicContact CB-CD1 4.02Å; P145-L174 HydrophobicContact CB-CD2 4.28Å; P145-L174 HydrophobicContact CB-CG 4.24Å; P145-C175 WeakPolarHBondContact CA-O 3.31Å
146L84.1Confident72.7Confident66 Ų6690.7 Ų90.735%0.34646%0.456SS..EExtended strand (participates in β ladder)trans-122.9126.5174178.468000109.3C175 F177 P184L146-C175 HydrophobicContact CB-CB 4.38Å; L146-C175 PolarHBondContact N-O 2.91Å; L146-C175 WeakPolarHBondContact O-CB 3.48Å; L146-C175 PolarHBondContact O-N 3.41Å; L146-F177 HydrophobicContact CB-CB 3.72Å; L146-F177 HydrophobicContact CB-CG 4.39Å; L146-F177 HydrophobicContact CD2-CB 4.29Å; L146-F177 HydrophobicContact CD2-CD2 3.87Å; L146-F177 HydrophobicContact CD2-CE2 4.5Å; L146-F177 HydrophobicContact CD2-CG 4.23Å; L146-P184 HydrophobicContact CD2-CB 3.96Å
147Y85.5Confident73.7Confident131 Ų13186.7 Ų86.751%0.51443%0.431SS..EExtended strand (participates in β ladder)trans-81.1122.9167.7-69-93.8000108.7V172 C173 L174Y147-V172 HydrophobicContact CD1-CG1 3.74Å; Y147-V172 HydrophobicContact CG-CG1 4.5Å; Y147-C173 WeakPolarHBondContact CA-O 3.33Å; Y147-L174 HydrophobicContact CD1-CD1 3.74Å; Y147-L174 HydrophobicContact CD2-CD1 3.6Å; Y147-L174 HydrophobicContact CE1-CD1 3.69Å; Y147-L174 HydrophobicContact CE2-CD1 3.52Å; Y147-L174 HydrophobicContact CG-CD1 3.72Å
148A82.8Confident74.8Confident3 Ų386.6 Ų86.63%0.02543%0.427CS..EExtended strand (participates in β ladder)trans-131.1148.2-179.800000110.3P161 C173A148-P161 HydrophobicContact CB-CB 4.1Å; A148-C173 PolarHBondContact N-O 3.05Å; A148-C173 PolarHBondContact O-N 3.35Å
149R85.6Confident76Confident83 Ų8380.4 Ų80.431%0.31340%0.398SS..EExtended strand (participates in β ladder)trans-59.6140.3160.9179-167173.9124.44.4108.2P161 F162 T164 P166 E170R149-P161 WeakPolarHBondContact O-CA 3.25Å; R149-F162 HydrophobicContact CB-CB 4.28Å; R149-F162 HydrophobicContact CB-CD2 4.28Å; R149-F162 HydrophobicContact CG-CD2 3.77Å; R149-F162 HydrophobicContact CG-CE2 4.43Å; R149-F162 HydrophobicContact CG-CG 4.43Å; R149-F162 PolarHBondContact O-N 3.39Å; R149-T164 PolarHBondContact N-O 2.9Å; R149-P166 HydrophobicContact CB-CB 4.28Å; R149-E170 IonicContact CZ-OE1 2.78Å; R149-E170 VanDerWaalsContact CZ-OE1 3.24Å; R149-E170 IonicContact CZ-OE2 2.83Å; R149-E170 IonicContact NE-OE2 3.8Å; R149-E170 IonicContact NH1-OE1 2.71Å; R149-E170 PolarHBondContact NH1-OE1 3.06Å; R149-E170 IonicContact NH1-OE2 3.79Å; R149-E170 PolarHBondContact NH1-OE2 3.03Å; R149-E170 IonicContact NH2-OE1 3.48Å; R149-E170 PolarHBondContact NH2-OE1 3.43Å
150C84Confident77.4Confident16 Ų1677.6 Ų77.611%0.10839%0.391CS..EExtended strand (participates in β ladder)trans-148.7166.1-179.163.10000114.3C159 V160 G171 C173C150-C159 HydrophobicContact CB-CB 4.2Å; C150-V160 CarbonylContact C-O 3.57Å; C150-V160 WeakPolarHBondContact CA-O 3.31Å; C150-V160 WeakPolarHBondContact CB-O 3.46Å; C150-G171 PolarHBondContact N-O 3.14Å; C150-C173 HydrophobicContact CB-CB 3.56Å; C150-C173 WeakPolarHBondContact CB-SG 3.48Å; C150-C173 WeakPolarHBondContact SG-CB 3.15Å; C150-C173 PolarHBondContact SG-N 3.13Å; C150-C173 CovalentContact SG-SG 2.02Å; C150-C173 PolarHBondContact SG-SG 3.46Å
151L85.9Confident78.2Confident112 Ų11271.2 Ų71.259%0.58636%0.364SS*.EExtended strand (participates in β ladder)trans-116.5120.6164-77.7163.8000109C159 V160 F162L151-C159 CarbonylContact O-C 3.53Å; L151-C159 WeakPolarHBondContact O-CA 3.4Å; L151-V160 PolarHBondContact N-O 3.34Å; L151-V160 PolarHBondContact O-N 2.92Å; L151-F162 HydrophobicContact CD1-CE2 3.96Å; L151-F162 HydrophobicContact CD1-CZ 3.73Å; L151-F162 HydrophobicContact CG-CE2 3.96Å; L151-F162 HydrophobicContact CG-CZ 4.24Å
152C82.5Confident78.8Confident46 Ų4673.6 Ų73.631%0.31137%0.374SS..  trans-104.8113.3169.4-51.70000107.3D154 C159C152-D154 VanDerWaalsContact C-N 3.35Å; C152-C159 HydrophobicContact CB-CB 4Å; C152-C159 WeakPolarHBondContact CB-SG 3.46Å; C152-C159 WeakPolarHBondContact SG-CB 3.3Å; C152-C159 CovalentContact SG-SG 2.03Å; C152-C159 PolarHBondContact SG-SG 3.43Å
153P78.7Confident78.7Confident105 Ų10577.8 Ų77.868%0.68240%0.401SS*.SBendtrans-69-34.7179.426.3-32.3000112.2
154D74.1Confident78.6Confident111 Ų11179.9 Ų79.959%0.59442%0.417SS*.SBendtrans-119149.6175.9-61.4-61.9000110.4C152 E156 G157C152-D154 VanDerWaalsContact C-N 3.35Å; D154-E156 VanDerWaalsContact C-N 3.3Å; D154-E156 PolarHBondContact O-N 3.23Å; D154-G157 PolarHBondContact O-N 3.01Å
155E65.7Low78.1Confident144 Ų14480.1 Ų80.167%0.67343%0.434SS*.THydrogen-bonded Turntrans-62.2-35178.2-78.5-143.5116.500112.9K191 H192E155-K191 IonicContact OE1-NZ 2.75Å; E155-K191 PolarHBondContact OE1-NZ 3.37Å; E155-H192 PolarHBondContact O-CE1 2.93Å
156E63.8Low77.5Confident125 Ų12577.6 Ų77.658%0.58442%0.418SS*.THydrogen-bonded Turntrans-96.14.4177.9-59.1-160.5127.500113.8D154 R430D154-E156 VanDerWaalsContact C-N 3.3Å; D154-E156 PolarHBondContact O-N 3.23Å; E156-R430 VanDerWaalsContact CD-NH1 3.26Å; E156-R430 IonicContact OE1-CZ 3.69Å; E156-R430 VanDerWaalsContact OE1-CZ 3.24Å; E156-R430 IonicContact OE1-NH1 3.18Å; E156-R430 PolarHBondContact OE1-NH1 3.36Å; E156-R430 IonicContact OE1-NH2 3.69Å; E156-R430 PolarHBondContact OE1-NH2 2.74Å; E156-R430 IonicContact OE2-CZ 3.95Å; E156-R430 IonicContact OE2-NH1 3Å; E156-R430 PolarHBondContact OE2-NH1 3.06Å
157G66.2Low76.8Confident17 Ų1780.2 Ų80.218%0.17543%0.431CS..SBendtrans-89.3168.9-170.200000115.9D154D154-G157 PolarHBondContact O-N 3.01Å
158E74.2Confident75.8Confident110 Ų11079.4 Ų79.451%0.51445%0.452SS..PPolyproline II helixtrans-68.2135.4168.6-65-172.6145.600110.2W185E158-W185 HydrophobicContact CB-CH2 4.12Å; E158-W185 HydrophobicContact CB-CZ2 4.43Å; E158-W185 WeakPolarHBondContact OE2-CZ2 3.38Å
159C82.4Confident74.8Confident1 Ų183.5 Ų83.51%0.00749%0.494CS..PPolyproline II helixtrans-103.5141.3-176.4-51.20000111.2C150 L151 C152 P161 C173 W185 C187 S189C150-C159 HydrophobicContact CB-CB 4.2Å; L151-C159 CarbonylContact O-C 3.53Å; L151-C159 WeakPolarHBondContact O-CA 3.4Å; C152-C159 HydrophobicContact CB-CB 4Å; C152-C159 WeakPolarHBondContact CB-SG 3.46Å; C152-C159 WeakPolarHBondContact SG-CB 3.3Å; C152-C159 CovalentContact SG-SG 2.03Å; C152-C159 PolarHBondContact SG-SG 3.43Å; C159-P161 WeakPolarHBondContact O-CD 3.5Å; C159-C173 WeakPolarHBondContact CB-SG 3.36Å; C159-W185 WeakPolarHBondContact O-CZ3 3.32Å; C159-C187 PolarHBondContact N-O 2.96Å; C159-C187 WeakPolarHBondContact O-CB 3.37Å; C159-S189 PolarHBondContact SG-N 3.29Å; C159-S189 VanDerWaalsContact SG-N 3.39Å
160V85.7Confident73.9Confident88 Ų8882.6 Ų82.653%0.53349%0.494SS..EExtended strand (participates in β ladder)trans-86.5118.5175.5-176.70000109.2C150 L151C150-V160 CarbonylContact C-O 3.57Å; C150-V160 WeakPolarHBondContact CA-O 3.31Å; C150-V160 WeakPolarHBondContact CB-O 3.46Å; L151-V160 PolarHBondContact N-O 3.34Å; L151-V160 PolarHBondContact O-N 2.92Å
161P82.5Confident73.2Confident28 Ų2884.1 Ų84.118%0.18251%0.513CS..EExtended strand (participates in β ladder)trans-82.5150.2177.634.2-36.3000112.4A148 R149 C159 P184 C187A148-P161 HydrophobicContact CB-CB 4.1Å; R149-P161 WeakPolarHBondContact O-CA 3.25Å; C159-P161 WeakPolarHBondContact O-CD 3.5Å; P161-P184 HydrophobicContact CB-CG 4.29Å; P161-P184 HydrophobicContact CG-CB 4.48Å; P161-P184 HydrophobicContact CG-CG 3.95Å; P161-P184 WeakPolarHBondContact CG-O 3.25Å; P161-C187 VanDerWaalsContact CG-SG 3.5Å
162F81.9Confident73Confident83 Ų8380.9 Ų80.936%0.36450%0.497SS..PPolyproline II helixtrans-95.7151.1160.2-61.7-90.7000109.5R149 L151 T164R149-F162 HydrophobicContact CB-CB 4.28Å; R149-F162 HydrophobicContact CB-CD2 4.28Å; R149-F162 HydrophobicContact CG-CD2 3.77Å; R149-F162 HydrophobicContact CG-CE2 4.43Å; R149-F162 HydrophobicContact CG-CG 4.43Å; R149-F162 PolarHBondContact O-N 3.39Å; L151-F162 HydrophobicContact CD1-CE2 3.96Å; L151-F162 HydrophobicContact CD1-CZ 3.73Å; L151-F162 HydrophobicContact CG-CE2 3.96Å; L151-F162 HydrophobicContact CG-CZ 4.24Å; F162-T164 WeakPolarHBondContact CB-OG1 3.38Å; F162-T164 PolarHBondContact O-N 3.35Å
163L73.3Confident73.1Confident158 Ų15878.7 Ų78.783%0.82748%0.482SS*.SBendtrans-76.216.3174.6-64.5172.3000113.2P184L163-P184 HydrophobicContact CD2-CG 4.22Å
164T72.1Confident73.4Confident80 Ų8074.6 Ų74.649%0.49145%0.454SS..SBendtrans-110.5145.4-178.250.50000111.4R149 F162R149-T164 PolarHBondContact N-O 2.9Å; F162-T164 WeakPolarHBondContact CB-OG1 3.38Å; F162-T164 PolarHBondContact O-N 3.35Å
165A69.1Low74Confident82 Ų8269.3 Ų69.368%0.67843%0.426SS*.PPolyproline II helixtrans-64.1138.617100000109.9
166P67.7Low74.8Confident41 Ų4165.5 Ų65.527%0.26641%0.406SS..PPolyproline II helixtrans-66.8137.617727.5-33.6000111.2R149 V172R149-P166 HydrophobicContact CB-CB 4.28Å; P166-V172 HydrophobicContact CB-CG2 3.84Å; P166-V172 HydrophobicContact CG-CG1 4.23Å; P166-V172 HydrophobicContact CG-CG2 3.94Å
167L69.2Low75.7Confident120 Ų12062 Ų6263%0.62839%0.389SS*.PPolyproline II helixtrans-81.2158.2170.8-67.4166.1000110.3G169 E170L167-G169 PolarHBondContact O-N 2.89Å; L167-G169 VanDerWaalsContact O-N 3.09Å; L167-E170 HydrophobicContact CB-CG 4.16Å; L167-E170 PolarHBondContact N-OE2 2.61Å; L167-E170 PolarHBondContact O-N 2.76Å
168A64.4Low76.4Confident115 Ų11561.7 Ų61.795%0.9538%0.383SS*.THydrogen-bonded Turntrans-59.8115.5179.600000111.1
169G61.7Low76.7Confident89 Ų8960.1 Ų60.192%0.91838%0.375SS*.THydrogen-bonded Turntrans101.6-3.6-177.700000115.6L167L167-G169 PolarHBondContact O-N 2.89Å; L167-G169 VanDerWaalsContact O-N 3.09Å
170E67.9Low76.6Confident63 Ų6368.3 Ų68.329%0.29441%0.406SS..SBendtrans-89158.8175.5-62.4-169.3143.900113.2R149 L167 V172R149-E170 IonicContact CZ-OE1 2.78Å; R149-E170 VanDerWaalsContact CZ-OE1 3.24Å; R149-E170 IonicContact CZ-OE2 2.83Å; R149-E170 IonicContact NE-OE2 3.8Å; R149-E170 IonicContact NH1-OE1 2.71Å; R149-E170 PolarHBondContact NH1-OE1 3.06Å; R149-E170 IonicContact NH1-OE2 3.79Å; R149-E170 PolarHBondContact NH1-OE2 3.03Å; R149-E170 IonicContact NH2-OE1 3.48Å; R149-E170 PolarHBondContact NH2-OE1 3.43Å; L167-E170 HydrophobicContact CB-CG 4.16Å; L167-E170 PolarHBondContact N-OE2 2.61Å; L167-E170 PolarHBondContact O-N 2.76Å; E170-V172 PolarHBondContact O-N 3.06Å
171G68.3Low76.4Confident49 Ų4967.3 Ų67.351%0.50540%0.4SS..PPolyproline II helixtrans-64.6120.1177.100000112.6C150C150-G171 PolarHBondContact N-O 3.14Å
172V81.6Confident76.4Confident43 Ų4375.2 Ų75.226%0.26143%0.426SS..EExtended strand (participates in β ladder)trans-102.6130.5179.8-170.80000110.7Y147 P166 E170 E190Y147-V172 HydrophobicContact CD1-CG1 3.74Å; Y147-V172 HydrophobicContact CG-CG1 4.5Å; P166-V172 HydrophobicContact CB-CG2 3.84Å; P166-V172 HydrophobicContact CG-CG1 4.23Å; P166-V172 HydrophobicContact CG-CG2 3.94Å; E170-V172 PolarHBondContact O-N 3.06Å; V172-E190 PolarHBondContact O-N 3.03Å
173C85Confident76.3Confident0 Ų074.9 Ų74.90%043%0.431CS..EExtended strand (participates in β ladder)trans-109.6150.8166-72.60000110.6Y147 A148 C150 C159 C187 L188Y147-C173 WeakPolarHBondContact CA-O 3.33Å; A148-C173 PolarHBondContact N-O 3.05Å; A148-C173 PolarHBondContact O-N 3.35Å; C150-C173 HydrophobicContact CB-CB 3.56Å; C150-C173 WeakPolarHBondContact CB-SG 3.48Å; C150-C173 WeakPolarHBondContact SG-CB 3.15Å; C150-C173 PolarHBondContact SG-N 3.13Å; C150-C173 CovalentContact SG-SG 2.02Å; C150-C173 PolarHBondContact SG-SG 3.46Å; C159-C173 WeakPolarHBondContact CB-SG 3.36Å; C173-C187 HydrophobicContact CB-CB 4.35Å; C173-L188 WeakPolarHBondContact CA-O 3.41Å; C173-L188 WeakPolarHBondContact CB-O 3.36Å
174L85.4Confident76.6Confident19 Ų1967.9 Ų67.910%0.09939%0.394CS..EExtended strand (participates in β ladder)trans-98.1130.5162.7-162.569.2000108.4P145 Y147 L188 W193P145-L174 HydrophobicContact CB-CD1 4.02Å; P145-L174 HydrophobicContact CB-CD2 4.28Å; P145-L174 HydrophobicContact CB-CG 4.24Å; Y147-L174 HydrophobicContact CD1-CD1 3.74Å; Y147-L174 HydrophobicContact CD2-CD1 3.6Å; Y147-L174 HydrophobicContact CE1-CD1 3.69Å; Y147-L174 HydrophobicContact CE2-CD1 3.52Å; Y147-L174 HydrophobicContact CG-CD1 3.72Å; L174-L188 PolarHBondContact N-O 2.96Å; L174-L188 PolarHBondContact O-N 3.03Å; L174-L188 VanDerWaalsContact O-N 3.15Å; L174-W193 HydrophobicContact CB-CD2 4.01Å; L174-W193 HydrophobicContact CB-CG 3.98Å; L174-W193 HydrophobicContact CB-CZ2 4.3Å; L174-W193 HydrophobicContact CD2-CB 4.32Å; L174-W193 HydrophobicContact CD2-CD2 3.71Å; L174-W193 HydrophobicContact CD2-CE3 3.81Å; L174-W193 HydrophobicContact CD2-CG 3.94Å; L174-W193 HydrophobicContact CD2-CZ3 4.33Å; L174-W193 HydrophobicContact CG-CD2 4.22Å; L174-W193 HydrophobicContact CG-CZ2 4.46Å; L174-W193 VanDerWaalsContact O-CZ2 3.26Å; L174-W193 WeakPolarHBondContact O-CZ2 3.37Å; L174-W193 PolarHBondContact O-NE1 3.49Å
175C85.5Confident76.9Confident0 Ų069.6 Ų69.60%039%0.392CS..EExtended strand (participates in β ladder)trans-120.2148.5-173.5-67.80000110.9P145 L146 F177 P184 P186 C187P145-C175 WeakPolarHBondContact CA-O 3.31Å; L146-C175 HydrophobicContact CB-CB 4.38Å; L146-C175 PolarHBondContact N-O 2.91Å; L146-C175 WeakPolarHBondContact O-CB 3.48Å; L146-C175 PolarHBondContact O-N 3.41Å; C175-F177 PolarHBondContact O-N 2.9Å; C175-P184 HydrophobicContact CB-CB 3.78Å; C175-P186 WeakPolarHBondContact CA-O 3.44Å; C175-C187 HydrophobicContact CB-CB 4.1Å; C175-C187 WeakPolarHBondContact CB-SG 3.39Å; C175-C187 WeakPolarHBondContact SG-CB 3.49Å; C175-C187 CovalentContact SG-SG 2.03Å; C175-C187 PolarHBondContact SG-SG 2.85Å
176Y82.6Confident77.5Confident65 Ų6568.2 Ų68.226%0.25538%0.376SS..EExtended strand (participates in β ladder)trans-87.3103.8170.4-169.3-99.6000109.7Y143 W185 P186 N206Y143-Y176 HydrophobicContact CD1-CD1 4Å; Y143-Y176 AromaticContact CD1-CE1 3.2Å; Y143-Y176 HydrophobicContact CD1-CE1 3.2Å; Y143-Y176 AromaticContact CD1-CZ 3.6Å; Y143-Y176 HydrophobicContact CD2-CE1 4.24Å; Y143-Y176 AromaticContact CD2-CZ 3.85Å; Y143-Y176 WeakPolarHBondContact CD2-OH 3.32Å; Y143-Y176 HydrophobicContact CE1-CD1 4.5Å; Y143-Y176 AromaticContact CE1-CE1 3.59Å; Y143-Y176 HydrophobicContact CE1-CE1 3.59Å; Y143-Y176 WeakPolarHBondContact CE2-OH 3.4Å; Y143-Y176 AromaticContact CG-CE1 3.56Å; Y143-Y176 HydrophobicContact CG-CE1 3.56Å; Y143-Y176 HydrophobicContact CG-CE2 4.26Å; Y143-Y176 AromaticContact CG-CZ 3.39Å; Y176-W185 CarbonylContact O-C 3.54Å; Y176-W185 PolarHBondContact O-N 3.44Å; Y176-W185 VanDerWaalsContact O-O 3.13Å; Y176-P186 PolarHBondContact N-O 3.37Å; Y176-N206 WeakPolarHBondContact CE2-OD1 3.33Å; Y176-N206 VanDerWaalsContact OH-CG 3.31Å; Y176-N206 PolarHBondContact OH-ND2 3.13Å; Y176-N206 PolarHBondContact OH-OD1 2.85Å
177F83.5Confident78.4Confident51 Ų5166.3 Ų66.322%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-97.8118.2-174.7178.5-101.6000112Y143 K144 L146 C175 K179 R182 P184Y143-F177 VanDerWaalsContact CA-O 3.31Å; Y143-F177 WeakPolarHBondContact CA-O 3.39Å; K144-F177 PolarHBondContact N-O 3.14Å; K144-F177 WeakPolarHBondContact O-CB 3.45Å; K144-F177 PolarHBondContact O-N 3Å; L146-F177 HydrophobicContact CB-CB 3.72Å; L146-F177 HydrophobicContact CB-CG 4.39Å; L146-F177 HydrophobicContact CD2-CB 4.29Å; L146-F177 HydrophobicContact CD2-CD2 3.87Å; L146-F177 HydrophobicContact CD2-CE2 4.5Å; L146-F177 HydrophobicContact CD2-CG 4.23Å; C175-F177 PolarHBondContact O-N 2.9Å; F177-K179 HydrophobicContact CD1-CG 4.44Å; F177-K179 HydrophobicContact CE1-CG 4.15Å; F177-R182 HydrophobicContact CE2-CB 4.34Å; F177-R182 HydrophobicContact CZ-CB 4.34Å; F177-P184 HydrophobicContact CD2-CB 4.2Å
178D81.3Confident79.1Confident10 Ų1062.8 Ų62.85%0.05335%0.345CS..EExtended strand (participates in β ladder)trans-88.3113.4170.8-177-1.1000110.5R142 Y143 R180 T181 R182 V183R142-D178 VanDerWaalsContact CG-OD1 3.25Å; R142-D178 WeakPolarHBondContact CG-OD1 3.41Å; R142-D178 IonicContact CZ-OD1 2.66Å; R142-D178 IonicContact CZ-OD2 2.77Å; R142-D178 IonicContact NE-OD1 3.06Å; R142-D178 PolarHBondContact NE-OD1 3.1Å; R142-D178 IonicContact NE-OD2 3.44Å; R142-D178 PolarHBondContact NE-OD2 2.96Å; R142-D178 IonicContact NH2-OD1 3.24Å; R142-D178 IonicContact NH2-OD2 3.08Å; R142-D178 PolarHBondContact NH2-OD2 2.75Å; Y143-D178 HydrophobicContact CD1-CB 3.71Å; Y143-D178 HydrophobicContact CE1-CB 3.61Å; D178-R180 PolarHBondContact O-N 3.26Å; D178-R180 VanDerWaalsContact O-N 3.15Å; D178-R180 VanDerWaalsContact OD1-CB 3.3Å; D178-R180 WeakPolarHBondContact OD1-CB 3.38Å; D178-R180 PolarHBondContact OD1-N 3.12Å; D178-T181 WeakPolarHBondContact CB-OG1 3.02Å; D178-T181 PolarHBondContact O-N 2.82Å; D178-R182 VanDerWaalsContact O-CA 3.29Å; D178-R182 WeakPolarHBondContact O-CA 3.41Å; D178-R182 PolarHBondContact O-N 2.85Å; D178-V183 PolarHBondContact N-O 3.38Å
179K79.4Confident79.9Confident78 Ų7858.6 Ų58.634%0.33931%0.309SS..THydrogen-bonded Turntrans-58-27.6176.3-71.6176.5177.3172.40113.8E139 F141 R142 F177E139-K179 PolarHBondContact O-NZ 3.03Å; F141-K179 WeakPolarHBondContact O-CD 3.46Å; F141-K179 WeakPolarHBondContact O-CE 3.48Å; F141-K179 PolarHBondContact O-NZ 2.83Å; R142-K179 WeakPolarHBondContact O-CB 3.49Å; R142-K179 VanDerWaalsContact O-CG 3.31Å; R142-K179 WeakPolarHBondContact O-CG 3.39Å; R142-K179 PolarHBondContact O-N 2.99Å; F177-K179 HydrophobicContact CD1-CG 4.44Å; F177-K179 HydrophobicContact CE1-CG 4.15Å
180R79.8Confident80.6Confident172 Ų17259.5 Ų59.565%0.64929%0.289SS*.THydrogen-bonded Turntrans-75.4-45.8-175.8-170.9-178.569.21494.4111.6D178D178-R180 PolarHBondContact O-N 3.26Å; D178-R180 VanDerWaalsContact O-N 3.15Å; D178-R180 VanDerWaalsContact OD1-CB 3.3Å; D178-R180 WeakPolarHBondContact OD1-CB 3.38Å; D178-R180 PolarHBondContact OD1-N 3.12Å
181T82.4Confident81Confident67 Ų6763.9 Ų63.941%0.41131%0.308SS..THydrogen-bonded Turntrans-91.7-15.8-179.760.70000112.8D178 V183D178-T181 WeakPolarHBondContact CB-OG1 3.02Å; D178-T181 PolarHBondContact O-N 2.82Å; T181-V183 PolarHBondContact O-N 3.17Å; T181-V183 PolarHBondContact OG1-N 3.39Å
182R82.9Confident81.3Confident195 Ų19564.4 Ų64.474%0.73630%0.296SS*.THydrogen-bonded Turntrans58.522.7-170.7-56.4-175.5178-177.3-0.1113.9F177 D178F177-R182 HydrophobicContact CE2-CB 4.34Å; F177-R182 HydrophobicContact CZ-CB 4.34Å; D178-R182 VanDerWaalsContact O-CA 3.29Å; D178-R182 WeakPolarHBondContact O-CA 3.41Å; D178-R182 PolarHBondContact O-N 2.85Å
183V80.1Confident80.8Confident76 Ų7667 Ų6746%0.46130%0.302SS..EExtended strand (participates in β ladder)trans-95.1123.1177.3-179.50000109.6D178 T181 W185D178-V183 PolarHBondContact N-O 3.38Å; T181-V183 PolarHBondContact O-N 3.17Å; T181-V183 PolarHBondContact OG1-N 3.39Å; V183-W185 HydrophobicContact CG1-CB 3.77Å; V183-W185 PolarHBondContact O-N 3.34Å
184P79.6Confident80.1Confident10 Ų1073.4 Ų73.47%0.06533%0.326CS..EExtended strand (participates in β ladder)trans-83.994.9165.231.8-28.9000109.6L146 P161 L163 C175 F177 C187L146-P184 HydrophobicContact CD2-CB 3.96Å; P161-P184 HydrophobicContact CB-CG 4.29Å; P161-P184 HydrophobicContact CG-CB 4.48Å; P161-P184 HydrophobicContact CG-CG 3.95Å; P161-P184 WeakPolarHBondContact CG-O 3.25Å; L163-P184 HydrophobicContact CD2-CG 4.22Å; C175-P184 HydrophobicContact CB-CB 3.78Å; F177-P184 HydrophobicContact CD2-CB 4.2Å; P184-C187 PolarHBondContact O-SG 2.98Å
185W76.9Confident79.3Confident117 Ų11778.6 Ų78.644%0.44336%0.358SS..EExtended strand (participates in β ladder)trans-158.8140.2177.3-169.9-95000112.2E158 C159 Y176 V183E158-W185 HydrophobicContact CB-CH2 4.12Å; E158-W185 HydrophobicContact CB-CZ2 4.43Å; E158-W185 WeakPolarHBondContact OE2-CZ2 3.38Å; C159-W185 WeakPolarHBondContact O-CZ3 3.32Å; Y176-W185 CarbonylContact O-C 3.54Å; Y176-W185 PolarHBondContact O-N 3.44Å; Y176-W185 VanDerWaalsContact O-O 3.13Å; V183-W185 HydrophobicContact CG1-CB 3.77Å; V183-W185 PolarHBondContact O-N 3.34Å
186P83Confident78.3Confident53 Ų5382.7 Ų82.734%0.34438%0.378SS..EExtended strand (participates in β ladder)cis-73.5164.8-5.131.2-36.2000113C175 Y176C175-P186 WeakPolarHBondContact CA-O 3.44Å; Y176-P186 PolarHBondContact N-O 3.37Å
187C85.2Confident77.5Confident0 Ų090.4 Ų90.40%041%0.407CS..EExtended strand (participates in β ladder)trans-127.8140.4175.1-61.50000110.6C159 P161 C173 C175 P184C159-C187 PolarHBondContact N-O 2.96Å; C159-C187 WeakPolarHBondContact O-CB 3.37Å; P161-C187 VanDerWaalsContact CG-SG 3.5Å; C173-C187 HydrophobicContact CB-CB 4.35Å; C175-C187 HydrophobicContact CB-CB 4.1Å; C175-C187 WeakPolarHBondContact CB-SG 3.39Å; C175-C187 WeakPolarHBondContact SG-CB 3.49Å; C175-C187 CovalentContact SG-SG 2.03Å; C175-C187 PolarHBondContact SG-SG 2.85Å; P184-C187 PolarHBondContact O-SG 2.98Å
188L84.4Confident76.6Confident47 Ų4789.9 Ų89.925%0.24641%0.409CS..EExtended strand (participates in β ladder)trans-137.9150.8177.8-71.7152.2000109C173 L174 H192 W193C173-L188 WeakPolarHBondContact CA-O 3.41Å; C173-L188 WeakPolarHBondContact CB-O 3.36Å; L174-L188 PolarHBondContact N-O 2.96Å; L174-L188 PolarHBondContact O-N 3.03Å; L174-L188 VanDerWaalsContact O-N 3.15Å; L188-H192 HydrophobicContact CB-CB 4.13Å; L188-W193 PolarHBondContact O-NE1 2.83Å
189S81.3Confident75.6Confident27 Ų2794.8 Ų94.819%0.18944%0.443CS..EExtended strand (participates in β ladder)trans-51.2141.3170.7176.30000110.6C159 K191 H192C159-S189 PolarHBondContact SG-N 3.29Å; C159-S189 VanDerWaalsContact SG-N 3.39Å; S189-K191 PolarHBondContact O-N 2.83Å; S189-H192 WeakPolarHBondContact O-CB 3.49Å; S189-H192 PolarHBondContact O-N 2.85Å
190E77.1Confident74.7Confident107 Ų107100.2 Ų100.250%0.546%0.462SS..G310 helixtrans-49.3-33.4178.7-174.6170.5-144.600113.1V172 H192 W193V172-E190 PolarHBondContact O-N 3.03Å; E190-H192 PolarHBondContact O-N 2.7Å; E190-W193 PolarHBondContact O-N 3.47Å
191K75.2Confident74.1Confident156 Ų15695 Ų9568%0.67845%0.451SS*.G310 helixtrans-50.8-27.5173.8-65.4178.1178.4-178.50114.6E155 S189E155-K191 IonicContact OE1-NZ 2.75Å; E155-K191 PolarHBondContact OE1-NZ 3.37Å; S189-K191 PolarHBondContact O-N 2.83Å
192H75.8Confident73.3Confident59 Ų5992.5 Ų92.527%0.27344%0.436SS..G310 helixtrans-91.4-12.2-176.2-73.477.2000114.1E155 L188 S189 E190E155-H192 PolarHBondContact O-CE1 2.93Å; L188-H192 HydrophobicContact CB-CB 4.13Å; S189-H192 WeakPolarHBondContact O-CB 3.49Å; S189-H192 PolarHBondContact O-N 2.85Å; E190-H192 PolarHBondContact O-N 2.7Å
193W70.9Confident72.4Confident99 Ų9988.5 Ų88.538%0.37544%0.435SS..  trans-91142.3-175.5-72.885.5000111.7L174 L188 E190L174-W193 HydrophobicContact CB-CD2 4.01Å; L174-W193 HydrophobicContact CB-CG 3.98Å; L174-W193 HydrophobicContact CB-CZ2 4.3Å; L174-W193 HydrophobicContact CD2-CB 4.32Å; L174-W193 HydrophobicContact CD2-CD2 3.71Å; L174-W193 HydrophobicContact CD2-CE3 3.81Å; L174-W193 HydrophobicContact CD2-CG 3.94Å; L174-W193 HydrophobicContact CD2-CZ3 4.33Å; L174-W193 HydrophobicContact CG-CD2 4.22Å; L174-W193 HydrophobicContact CG-CZ2 4.46Å; L174-W193 VanDerWaalsContact O-CZ2 3.26Å; L174-W193 WeakPolarHBondContact O-CZ2 3.37Å; L174-W193 PolarHBondContact O-NE1 3.49Å; L188-W193 PolarHBondContact O-NE1 2.83Å; E190-W193 PolarHBondContact O-N 3.47Å
194R68.8Low71.6Confident134 Ų13486.7 Ų86.751%0.50643%0.426SS..  trans-129.6130.3174.167.7-173.5-154.8-130.2-9.2109.1E196 T213R194-E196 HydrophobicContact CG-CG 4.27Å; R194-E196 IonicContact CZ-OE1 2.82Å; R194-E196 VanDerWaalsContact CZ-OE1 3.23Å; R194-E196 IonicContact CZ-OE2 3.42Å; R194-E196 IonicContact NE-OE1 3.38Å; R194-E196 PolarHBondContact NE-OE1 3.09Å; R194-E196 IonicContact NE-OE2 3.41Å; R194-E196 PolarHBondContact NE-OE2 3.49Å; R194-E196 VanDerWaalsContact NH2-CD 3.32Å; R194-E196 IonicContact NH2-OE1 3.39Å; R194-E196 PolarHBondContact NH2-OE1 3.42Å; R194-E196 IonicContact NH2-OE2 2.63Å; R194-E196 PolarHBondContact NH2-OE2 2.9Å; R194-E196 PolarHBondContact O-N 3.26Å; R194-T213 PolarHBondContact NH2-OG1 3.25Å
195T70.4Confident70.8Confident127 Ų12787.3 Ų87.378%0.77943%0.434SS*.  trans-82.9109.8179.2-54.70000109.8
196E62.9Low70.4Confident86 Ų8684.6 Ų84.640%0.40243%0.429SS..  trans-109.8149.1176.1-69.8-178.1148.900111.2R194R194-E196 HydrophobicContact CG-CG 4.27Å; R194-E196 IonicContact CZ-OE1 2.82Å; R194-E196 VanDerWaalsContact CZ-OE1 3.23Å; R194-E196 IonicContact CZ-OE2 3.42Å; R194-E196 IonicContact NE-OE1 3.38Å; R194-E196 PolarHBondContact NE-OE1 3.09Å; R194-E196 IonicContact NE-OE2 3.41Å; R194-E196 PolarHBondContact NE-OE2 3.49Å; R194-E196 VanDerWaalsContact NH2-CD 3.32Å; R194-E196 IonicContact NH2-OE1 3.39Å; R194-E196 PolarHBondContact NH2-OE1 3.42Å; R194-E196 IonicContact NH2-OE2 2.63Å; R194-E196 PolarHBondContact NH2-OE2 2.9Å; R194-E196 PolarHBondContact O-N 3.26Å
197W67.5Low69.5Low228 Ų22884.4 Ų84.486%0.86443%0.428SS*.  trans-113.4128.2178.5-62.286.8000109.7
198C63.6Low68.2Low40 Ų4090.5 Ų90.527%0.2745%0.451SS..  trans-106.6162.3175.451.10000112.1R200 C207 V210C198-R200 PolarHBondContact SG-O 2.88Å; C198-R200 VanDerWaalsContact SG-O 3.34Å; C198-C207 HydrophobicContact CB-CB 3.37Å; C198-C207 WeakPolarHBondContact CB-SG 3.21Å; C198-C207 WeakPolarHBondContact SG-CA 3.34Å; C198-C207 WeakPolarHBondContact SG-CB 3.35Å; C198-C207 CovalentContact SG-SG 2.03Å; C198-C207 PolarHBondContact SG-SG 2.85Å; C198-V210 HydrophobicContact CB-CG2 4.43Å
199S60.2Low66.6Low112 Ų11296 Ų9678%0.78348%0.476SS*.SBendtrans-81.7-21177.355.80000113.7
200R60.5Low64.8Low193 Ų19397.2 Ų97.273%0.72848%0.482SS*.  trans-145.2146.3179.3-67.5-175.2176.6-179.6-1.2111C198 W208C198-R200 PolarHBondContact SG-O 2.88Å; C198-R200 VanDerWaalsContact SG-O 3.34Å; R200-W208 HydrophobicContact CB-CB 4.15Å; R200-W208 PolarHBondContact O-N 2.8Å
201C66.5Low63.4Low62 Ų6294.5 Ų94.542%0.41948%0.482SS..BIsolated β-bridgetrans-99143.9168.3-60.70000110.4F141 N206F141-C201 HydrophobicContact CE1-CB 4.33Å; F141-C201 HydrophobicContact CZ-CB 4.27Å; C201-N206 CarbonylContact C-O 3.56Å; C201-N206 WeakPolarHBondContact CA-O 3.43Å
202S66.1Low62.3Low14 Ų1490.6 Ų90.610%0.09847%0.468CS..  trans-65.4160.3161.762.20000111.3S204 G205 N206S202-S204 PolarHBondContact O-N 3.04Å; S202-S204 PolarHBondContact OG-OG 2.72Å; S202-G205 PolarHBondContact O-N 2.65Å; S202-G205 PolarHBondContact OG-N 3.13Å; S202-N206 WeakPolarHBondContact CB-O 3.39Å; S202-N206 PolarHBondContact N-O 3.25Å; S202-N206 WeakPolarHBondContact OG-CA 3.44Å; S202-N206 WeakPolarHBondContact OG-CB 3.09Å; S202-N206 PolarHBondContact OG-N 2.88Å; S202-N206 PolarHBondContact OG-O 3.2Å
203P63.6Low61.2Low111 Ų11191.6 Ų91.672%0.72148%0.479SS*.THydrogen-bonded Turntrans-62.5-26.3178.4-1933.3000112G205 W208P203-G205 VanDerWaalsContact C-N 3.3Å; P203-G205 PolarHBondContact O-N 3.48Å; P203-W208 HydrophobicContact CG-CZ3 4.4Å
204S64Low60.9Low38 Ų3889.8 Ų89.827%0.26648%0.476SS..THydrogen-bonded Turntrans-71.8-16.717430.30000114.1R142 Y143 S202R142-S204 PolarHBondContact N-O 3.36Å; Y143-S204 PolarHBondContact N-O 3.45Å; S202-S204 PolarHBondContact O-N 3.04Å; S202-S204 PolarHBondContact OG-OG 2.72Å
205G63.7Low60.8Low23 Ų2387.8 Ų87.824%0.23747%0.472CS..SBendtrans97.9-3.7-179.100000115.8F141 S202 P203F141-G205 VanDerWaalsContact CG-CA 3.47Å; S202-G205 PolarHBondContact O-N 2.65Å; S202-G205 PolarHBondContact OG-N 3.13Å; P203-G205 VanDerWaalsContact C-N 3.3Å; P203-G205 PolarHBondContact O-N 3.48Å
206N67.4Low60.8Low60 Ų6084.5 Ų84.532%0.32145%0.452SS..SBendtrans-73.9154.5171.8-59-21.5000109.8Y176 C201 S202 W208Y176-N206 WeakPolarHBondContact CE2-OD1 3.33Å; Y176-N206 VanDerWaalsContact OH-CG 3.31Å; Y176-N206 PolarHBondContact OH-ND2 3.13Å; Y176-N206 PolarHBondContact OH-OD1 2.85Å; C201-N206 CarbonylContact C-O 3.56Å; C201-N206 WeakPolarHBondContact CA-O 3.43Å; S202-N206 WeakPolarHBondContact CB-O 3.39Å; S202-N206 PolarHBondContact N-O 3.25Å; S202-N206 WeakPolarHBondContact OG-CA 3.44Å; S202-N206 WeakPolarHBondContact OG-CB 3.09Å; S202-N206 PolarHBondContact OG-N 2.88Å; S202-N206 PolarHBondContact OG-O 3.2Å; N206-W208 PolarHBondContact O-N 3.04Å
207C63.4Low60.9Low50 Ų5082.1 Ų82.134%0.33845%0.448SS..BIsolated β-bridgetrans-60.7123.8167.5-81.60000111.4C198 E209 V210C198-C207 HydrophobicContact CB-CB 3.37Å; C198-C207 WeakPolarHBondContact CB-SG 3.21Å; C198-C207 WeakPolarHBondContact SG-CA 3.34Å; C198-C207 WeakPolarHBondContact SG-CB 3.35Å; C198-C207 CovalentContact SG-SG 2.03Å; C198-C207 PolarHBondContact SG-SG 2.85Å; C207-E209 PolarHBondContact O-N 2.7Å; C207-V210 HydrophobicContact CB-CG2 3.54Å
208W58Low61Low127 Ų12773.8 Ų73.848%0.48142%0.418SS..THydrogen-bonded Turntrans-72.6119.2169.5-153-54.2000107.1R200 P203 N206R200-W208 HydrophobicContact CB-CB 4.15Å; R200-W208 PolarHBondContact O-N 2.8Å; P203-W208 HydrophobicContact CG-CZ3 4.4Å; N206-W208 PolarHBondContact O-N 3.04Å
209E52.1Low61.7Low163 Ų16373.2 Ų73.276%0.76241%0.413SS*.THydrogen-bonded Turntrans43.370.9-177.1-70.1179.3148.400113.7C207 G211C207-E209 PolarHBondContact O-N 2.7Å; E209-G211 PolarHBondContact O-N 3.06Å
210V43.4Very low62.5Low53 Ų5369.5 Ų69.532%0.32139%0.387SS..  trans-6689.7133.7-170.80000104.5C198 C207 I212 T213C198-V210 HydrophobicContact CB-CG2 4.43Å; C207-V210 HydrophobicContact CB-CG2 3.54Å; V210-I212 WeakPolarHBondContact O-CA 3.23Å; V210-I212 PolarHBondContact O-N 3.14Å; V210-T213 HydrophobicContact CG1-CG2 4.45Å
211G47.3Very low63.2Low49 Ų4963.6 Ų63.651%0.50537%0.366SS..  trans-50.3111.9-171.800000109E209 T213E209-G211 PolarHBondContact O-N 3.06Å; G211-T213 WeakPolarHBondContact O-CG2 3.34Å; G211-T213 PolarHBondContact O-N 3.33Å
212I51.8Low63.9Low74 Ų7461 Ų6138%0.37935%0.349SS..  trans-42.4103.6-156-60.6170.5000110.1V210 D214 A217 K218 K221V210-I212 WeakPolarHBondContact O-CA 3.23Å; V210-I212 PolarHBondContact O-N 3.14Å; I212-D214 VanDerWaalsContact C-N 3.34Å; I212-D214 WeakPolarHBondContact CG2-O 3.43Å; I212-D214 PolarHBondContact O-N 2.95Å; I212-A217 HydrophobicContact CG2-CB 3.33Å; I212-K218 HydrophobicContact CB-CG 3.96Å; I212-K218 HydrophobicContact CG2-CG 4.03Å; I212-K218 WeakPolarHBondContact O-CE 3.37Å; I212-K218 WeakPolarHBondContact O-CG 3.38Å; I212-K221 HydrophobicContact CD1-CB 4.33Å
213T52.7Low64.8Low81 Ų8163.2 Ų63.250%0.49736%0.358SS..  trans-76.7-26.5-168.5500000112.6R194 V210 G211R194-T213 PolarHBondContact NH2-OG1 3.25Å; V210-T213 HydrophobicContact CG1-CG2 4.45Å; G211-T213 WeakPolarHBondContact O-CG2 3.34Å; G211-T213 PolarHBondContact O-N 3.33Å
214D64.5Low65.6Low60 Ų6061.3 Ų61.332%0.32134%0.34SS..SBendtrans-76.4117.5173.51805.1000110.8I212 T216 A217 K218I212-D214 VanDerWaalsContact C-N 3.34Å; I212-D214 WeakPolarHBondContact CG2-O 3.43Å; I212-D214 PolarHBondContact O-N 2.95Å; D214-T216 PolarHBondContact O-N 3.42Å; D214-T216 WeakPolarHBondContact OD1-CB 3.39Å; D214-T216 PolarHBondContact OD1-N 3.19Å; D214-T216 PolarHBondContact OD1-OG1 3.09Å; D214-A217 HydrophobicContact CB-CB 4.27Å; D214-A217 PolarHBondContact O-N 3.33Å; D214-A217 VanDerWaalsContact O-N 3.13Å; D214-K218 PolarHBondContact O-N 3.45Å; D214-K218 VanDerWaalsContact O-N 3.09Å
215E67.5Low66.5Low92 Ų9261.2 Ų61.243%0.4334%0.336SS..Hα-helixtrans-55.1-34.4175.4-58.6-165.7137.800111.8P119 A217 K218 V219P119-E215 WeakPolarHBondContact CD-OE1 3.37Å; P119-E215 HydrophobicContact CG-CG 4.35Å; P119-E215 WeakPolarHBondContact CG-OE1 3.45Å; E215-A217 VanDerWaalsContact C-N 3.33Å; E215-A217 PolarHBondContact O-N 3.49Å; E215-K218 WeakPolarHBondContact O-CB 3.43Å; E215-K218 PolarHBondContact O-N 3.21Å; E215-V219 WeakPolarHBondContact O-CB 3.37Å; E215-V219 VanDerWaalsContact O-CG2 3.23Å; E215-V219 WeakPolarHBondContact O-CG2 3.27Å; E215-V219 PolarHBondContact O-N 3.48Å
216T69.2Low67.5Low58 Ų5860.5 Ų60.536%0.35633%0.327SS..Hα-helixtrans-62.7-40.4179.9-37.50000111.8D214 S220D214-T216 PolarHBondContact O-N 3.42Å; D214-T216 WeakPolarHBondContact OD1-CB 3.39Å; D214-T216 PolarHBondContact OD1-N 3.19Å; D214-T216 PolarHBondContact OD1-OG1 3.09Å; T216-S220 WeakPolarHBondContact O-CB 3.49Å; T216-S220 PolarHBondContact O-N 3.12Å; T216-S220 PolarHBondContact O-OG 2.82Å
217A66.7Low68.5Low37 Ų3758.6 Ų58.631%0.30632%0.317SS..Hα-helixtrans-77.9-32.8178.300000111.6I212 D214 E215 S220 K221I212-A217 HydrophobicContact CG2-CB 3.33Å; D214-A217 HydrophobicContact CB-CB 4.27Å; D214-A217 PolarHBondContact O-N 3.33Å; D214-A217 VanDerWaalsContact O-N 3.13Å; E215-A217 VanDerWaalsContact C-N 3.33Å; E215-A217 PolarHBondContact O-N 3.49Å; A217-S220 PolarHBondContact O-N 3.45Å; A217-K221 WeakPolarHBondContact O-CB 3.09Å; A217-K221 PolarHBondContact O-N 3.39Å
218K68.7Low69.7Low53 Ų5356.6 Ų56.623%0.2330%0.303CS..Hα-helixtrans-59.7-50.9167.7-67.8-173.6-176.4-179.70111F114 N117 I212 D214 E215 S220 K221 A222F114-K218 HydrophobicContact CE2-CB 4.05Å; N117-K218 PolarHBondContact O-NZ 2.91Å; I212-K218 HydrophobicContact CB-CG 3.96Å; I212-K218 HydrophobicContact CG2-CG 4.03Å; I212-K218 WeakPolarHBondContact O-CE 3.37Å; I212-K218 WeakPolarHBondContact O-CG 3.38Å; D214-K218 PolarHBondContact O-N 3.45Å; D214-K218 VanDerWaalsContact O-N 3.09Å; E215-K218 WeakPolarHBondContact O-CB 3.43Å; E215-K218 PolarHBondContact O-N 3.21Å; K218-S220 VanDerWaalsContact C-N 3.35Å; K218-S220 PolarHBondContact O-N 2.89Å; K218-K221 PolarHBondContact O-N 2.86Å; K218-A222 WeakPolarHBondContact O-CB 3.48Å; K218-A222 PolarHBondContact O-N 2.74Å
219V77.9Confident71Confident27 Ų2751.4 Ų51.416%0.16428%0.284CS..Hα-helixtrans-56.2-50.4177.7167.80000109.7F114 E215 K221 A222 Q223 T312 K314F114-V219 HydrophobicContact CZ-CB 4.5Å; F114-V219 HydrophobicContact CZ-CG2 3.79Å; E215-V219 WeakPolarHBondContact O-CB 3.37Å; E215-V219 VanDerWaalsContact O-CG2 3.23Å; E215-V219 WeakPolarHBondContact O-CG2 3.27Å; E215-V219 PolarHBondContact O-N 3.48Å; V219-K221 PolarHBondContact O-N 3.45Å; V219-A222 CarbonylContact O-C 3.56Å; V219-A222 PolarHBondContact O-N 2.82Å; V219-A222 VanDerWaalsContact O-N 3.17Å; V219-Q223 HydrophobicContact CG1-CG 4.31Å; V219-Q223 WeakPolarHBondContact O-CG 3.28Å; V219-Q223 PolarHBondContact O-N 3.32Å; V219-T312 WeakPolarHBondContact CG1-O 3.38Å; V219-K314 HydrophobicContact CG1-CG 4Å
220S78.6Confident72.8Confident34 Ų3443.6 Ų43.624%0.23825%0.248CC..Hα-helixtrans-61.1-44.1-179-55.40000112.1T216 A217 K218 A222 Q223 E224 K314T216-S220 WeakPolarHBondContact O-CB 3.49Å; T216-S220 PolarHBondContact O-N 3.12Å; T216-S220 PolarHBondContact O-OG 2.82Å; A217-S220 PolarHBondContact O-N 3.45Å; K218-S220 VanDerWaalsContact C-N 3.35Å; K218-S220 PolarHBondContact O-N 2.89Å; S220-A222 VanDerWaalsContact C-N 3.31Å; S220-A222 PolarHBondContact O-N 3.42Å; S220-Q223 WeakPolarHBondContact O-CB 3.39Å; S220-Q223 PolarHBondContact O-N 3.15Å; S220-E224 WeakPolarHBondContact O-CG 3.49Å; S220-E224 PolarHBondContact O-N 2.8Å; S220-K314 WeakPolarHBondContact OG-CE 3.45Å; S220-K314 PolarHBondContact OG-NZ 2.02Å
221K73.6Confident74.8Confident69 Ų6941.8 Ų41.830%0.324%0.238SC..Hα-helixtrans-62.1-38.3175.9-175.762.5-178.8-179.60112.5I212 A217 K218 V219 N225 R418I212-K221 HydrophobicContact CD1-CB 4.33Å; A217-K221 WeakPolarHBondContact O-CB 3.09Å; A217-K221 PolarHBondContact O-N 3.39Å; K218-K221 PolarHBondContact O-N 2.86Å; V219-K221 PolarHBondContact O-N 3.45Å; K221-N225 WeakPolarHBondContact O-CB 3.43Å; K221-N225 VanDerWaalsContact O-CG 3.3Å; K221-N225 PolarHBondContact O-N 2.96Å; K221-N225 PolarHBondContact O-OD1 2.76Å; K221-R418 VanDerWaalsContact NZ-CZ 3.29Å
222A81Confident76.6Confident8 Ų843.8 Ų43.87%0.06623%0.234CC..Hα-helixtrans-73.7-32.7177.100000113F114 K218 V219 S220 T226 T312F114-A222 HydrophobicContact CD2-CB 3.65Å; F114-A222 HydrophobicContact CE2-CB 3.75Å; F114-A222 HydrophobicContact CG-CB 4.39Å; K218-A222 WeakPolarHBondContact O-CB 3.48Å; K218-A222 PolarHBondContact O-N 2.74Å; V219-A222 CarbonylContact O-C 3.56Å; V219-A222 PolarHBondContact O-N 2.82Å; V219-A222 VanDerWaalsContact O-N 3.17Å; S220-A222 VanDerWaalsContact C-N 3.31Å; S220-A222 PolarHBondContact O-N 3.42Å; A222-T226 WeakPolarHBondContact O-CB 3.09Å; A222-T226 PolarHBondContact O-N 2.77Å; A222-T226 PolarHBondContact O-OG1 2.89Å; A222-T312 HydrophobicContact CB-CG2 3.47Å; A222-T312 VanDerWaalsContact CB-CG2 3.47Å
223Q85.4Confident78.3Confident60 Ų6042 Ų4228%0.2823%0.225SC..Hα-helixtrans-60.8-46.5168.9-72.8-176.8-4400111.3V219 S220 T226 L227 T312V219-Q223 HydrophobicContact CG1-CG 4.31Å; V219-Q223 WeakPolarHBondContact O-CG 3.28Å; V219-Q223 PolarHBondContact O-N 3.32Å; S220-Q223 WeakPolarHBondContact O-CB 3.39Å; S220-Q223 PolarHBondContact O-N 3.15Å; Q223-T226 VanDerWaalsContact O-CB 3.32Å; Q223-T226 WeakPolarHBondContact O-CB 3.42Å; Q223-T226 PolarHBondContact O-N 2.66Å; Q223-L227 PolarHBondContact O-N 2.93Å; Q223-T312 VanDerWaalsContact CD-O 3.28Å; Q223-T312 WeakPolarHBondContact CG-O 3.5Å; Q223-T312 PolarHBondContact NE2-O 2.76Å
224E81.4Confident80.1Confident71 Ų7141.8 Ų41.833%0.33222%0.223SC..Hα-helixtrans-65.5-44.1177.4-62.8167.7134.400111.9S220 T226 L227 F228 R418S220-E224 WeakPolarHBondContact O-CG 3.49Å; S220-E224 PolarHBondContact O-N 2.8Å; E224-T226 VanDerWaalsContact C-N 3.29Å; E224-T226 PolarHBondContact O-N 2.79Å; E224-L227 WeakPolarHBondContact O-CB 3.34Å; E224-L227 PolarHBondContact O-N 3.08Å; E224-L227 VanDerWaalsContact O-N 3.13Å; E224-F228 VanDerWaalsContact O-CD2 3.28Å; E224-F228 WeakPolarHBondContact O-CD2 3.35Å; E224-F228 PolarHBondContact O-N 2.88Å; E224-R418 VanDerWaalsContact CB-NH1 3.28Å; E224-R418 IonicContact OE1-CZ 2.75Å; E224-R418 IonicContact OE1-NH2 2.66Å; E224-R418 PolarHBondContact OE1-NH2 3.18Å; E224-R418 IonicContact OE2-CZ 3.58Å; E224-R418 IonicContact OE2-NH1 3.57Å; E224-R418 PolarHBondContact OE2-NH1 3.42Å; E224-R418 IonicContact OE2-NH2 2.99Å; E224-R418 PolarHBondContact OE2-NH2 2.97Å
225N82.1Confident81.3Confident37 Ų3743.4 Ų43.420%0.19823%0.232CC..Hα-helixtrans-63.5-37.5177.5-72.47.5000111.3M110 K221 L227 F228 I229 R418M110-N225 HydrophobicContact SD-CB 3.67Å; K221-N225 WeakPolarHBondContact O-CB 3.43Å; K221-N225 VanDerWaalsContact O-CG 3.3Å; K221-N225 PolarHBondContact O-N 2.96Å; K221-N225 PolarHBondContact O-OD1 2.76Å; N225-L227 VanDerWaalsContact C-N 3.34Å; N225-L227 PolarHBondContact O-N 2.83Å; N225-F228 PolarHBondContact O-N 2.82Å; N225-I229 VanDerWaalsContact O-CG1 3.27Å; N225-I229 WeakPolarHBondContact O-CG1 3.45Å; N225-I229 PolarHBondContact O-N 2.89Å; N225-R418 PolarHBondContact OD1-NH1 3.26Å
226T85.7Confident82.6Confident7 Ų745.2 Ų45.24%0.04324%0.241CC..Hα-helixtrans-53.9-50.3169.8-60.90000110.8M107 M110 A222 Q223 E224 F228 I229 M230 L310M107-T226 HydrophobicContact CE-CG2 3.5Å; M107-T226 VanDerWaalsContact CE-CG2 3.5Å; M110-T226 VanDerWaalsContact CE-OG1 3.25Å; M110-T226 WeakPolarHBondContact CE-OG1 3.1Å; A222-T226 WeakPolarHBondContact O-CB 3.09Å; A222-T226 PolarHBondContact O-N 2.77Å; A222-T226 PolarHBondContact O-OG1 2.89Å; Q223-T226 VanDerWaalsContact O-CB 3.32Å; Q223-T226 WeakPolarHBondContact O-CB 3.42Å; Q223-T226 PolarHBondContact O-N 2.66Å; E224-T226 VanDerWaalsContact C-N 3.29Å; E224-T226 PolarHBondContact O-N 2.79Å; T226-F228 PolarHBondContact O-N 2.93Å; T226-I229 PolarHBondContact O-N 3.02Å; T226-M230 HydrophobicContact CG2-CG 4.13Å; T226-M230 WeakPolarHBondContact O-CB 3.35Å; T226-M230 WeakPolarHBondContact O-CG 3.39Å; T226-M230 PolarHBondContact O-N 3.4Å; T226-L310 HydrophobicContact CG2-CD1 4.42Å
227L88.6Confident83.7Confident21 Ų2144.8 Ų44.811%0.1124%0.238CC..Hα-helixtrans-58.9-45.7-179.7174.563.6000112.7Q223 E224 N225 A231 P271 V272 P402 R403Q223-L227 PolarHBondContact O-N 2.93Å; E224-L227 WeakPolarHBondContact O-CB 3.34Å; E224-L227 PolarHBondContact O-N 3.08Å; E224-L227 VanDerWaalsContact O-N 3.13Å; N225-L227 VanDerWaalsContact C-N 3.34Å; N225-L227 PolarHBondContact O-N 2.83Å; L227-A231 WeakPolarHBondContact O-CB 3.15Å; L227-A231 PolarHBondContact O-N 2.83Å; L227-P271 VanDerWaalsContact CD1-C 3.48Å; L227-P271 HydrophobicContact CD1-CB 3.91Å; L227-P271 WeakPolarHBondContact CD1-O 3.48Å; L227-V272 HydrophobicContact CD2-CG2 4.42Å; L227-P402 HydrophobicContact CG-CB 4.2Å; L227-R403 HydrophobicContact CD2-CG 3.43Å; L227-R403 VanDerWaalsContact CD2-CG 3.43Å
228F87.6Confident85Confident8 Ų844 Ų444%0.03523%0.227CC..Hα-helixtrans-66.3-45.7-179.8-82.4-114.6000111.7E224 N225 T226 M230 A231 E232 P402 C413 V415 R418E224-F228 VanDerWaalsContact O-CD2 3.28Å; E224-F228 WeakPolarHBondContact O-CD2 3.35Å; E224-F228 PolarHBondContact O-N 2.88Å; N225-F228 PolarHBondContact O-N 2.82Å; T226-F228 PolarHBondContact O-N 2.93Å; F228-M230 PolarHBondContact O-N 2.78Å; F228-A231 PolarHBondContact O-N 2.71Å; F228-E232 PolarHBondContact O-N 3.04Å; F228-P402 HydrophobicContact CD1-CG 3.79Å; F228-P402 HydrophobicContact CD2-CG 4.06Å; F228-P402 HydrophobicContact CE1-CG 3.92Å; F228-P402 HydrophobicContact CE2-CG 4.19Å; F228-P402 HydrophobicContact CG-CG 3.87Å; F228-P402 HydrophobicContact CZ-CG 4.12Å; F228-C413 WeakPolarHBondContact CD1-O 3.38Å; F228-C413 HydrophobicContact CE1-CB 4.28Å; F228-V415 HydrophobicContact CB-CG2 3.73Å; F228-R418 HydrophobicContact CE1-CG 4.36Å; F228-R418 HydrophobicContact CZ-CG 4.41Å
229I86Confident86.3Confident17 Ų1743 Ų439%0.08723%0.225CC..Hα-helixtrans-60.2-46.9176.7-65165.2000110.7E106 M107 M110 N225 T226 A231 E232 M233 V415E106-I229 HydrophobicContact CB-CG2 4.16Å; M107-I229 HydrophobicContact CG-CG2 3.97Å; M107-I229 HydrophobicContact SD-CB 3.87Å; M107-I229 HydrophobicContact SD-CD1 3.98Å; M107-I229 HydrophobicContact SD-CG2 3.61Å; M110-I229 HydrophobicContact CE-CD1 4.15Å; M110-I229 HydrophobicContact SD-CD1 3.68Å; N225-I229 VanDerWaalsContact O-CG1 3.27Å; N225-I229 WeakPolarHBondContact O-CG1 3.45Å; N225-I229 PolarHBondContact O-N 2.89Å; T226-I229 PolarHBondContact O-N 3.02Å; I229-A231 PolarHBondContact O-N 3.05Å; I229-E232 PolarHBondContact O-N 2.97Å; I229-E232 VanDerWaalsContact O-N 3.14Å; I229-M233 HydrophobicContact CG2-CE 4.04Å; I229-V415 HydrophobicContact CG1-CG2 3.7Å
230M88.3Confident87.1Confident0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-66.8-24.3-179.1-66.3-62.4-60.200112.9Y96 M107 T226 F228 M233 R238 L241Y96-M230 HydrophobicContact CD1-CE 3.67Å; Y96-M230 HydrophobicContact CD2-CE 3.88Å; Y96-M230 HydrophobicContact CD2-CG 4.03Å; Y96-M230 HydrophobicContact CD2-SD 4.39Å; Y96-M230 HydrophobicContact CE1-CE 3.51Å; Y96-M230 HydrophobicContact CE2-CB 3.9Å; Y96-M230 HydrophobicContact CE2-CE 3.75Å; Y96-M230 HydrophobicContact CE2-CG 3.59Å; Y96-M230 HydrophobicContact CE2-SD 4.34Å; Y96-M230 HydrophobicContact CG-CE 3.87Å; M107-M230 HydrophobicContact CE-CG 4.45Å; M107-M230 HydrophobicContact CE-SD 4.41Å; M107-M230 HydrophobicContact CG-SD 4.1Å; M107-M230 HydrophobicContact SD-CG 4.32Å; M107-M230 HydrophobicContact SD-SD 4.21Å; T226-M230 HydrophobicContact CG2-CG 4.13Å; T226-M230 WeakPolarHBondContact O-CB 3.35Å; T226-M230 WeakPolarHBondContact O-CG 3.39Å; T226-M230 PolarHBondContact O-N 3.4Å; F228-M230 PolarHBondContact O-N 2.78Å; M230-M233 HydrophobicContact CE-CE 4.27Å; M230-M233 HydrophobicContact CE-SD 3.79Å; M230-M233 WeakPolarHBondContact O-CB 3.48Å; M230-M233 PolarHBondContact O-N 2.97Å; M230-M233 HydrophobicContact SD-CE 3.38Å; M230-M233 WeakPolarHBondContact SD-CE 2.84Å; M230-M233 HydrophobicContact SD-SD 3.72Å; M230-R238 HydrophobicContact CE-CG 4.41Å; M230-R238 VanDerWaalsContact O-CD 3.25Å; M230-R238 WeakPolarHBondContact O-CD 3.45Å; M230-R238 WeakPolarHBondContact O-CG 3.31Å; M230-L241 HydrophobicContact CE-CB 4.38Å; M230-L241 HydrophobicContact CE-CD1 3.61Å
231A87.3Confident87.9Confident15 Ų1548.9 Ų48.912%0.12424%0.24CC..Hα-helixtrans-79.4-13.2175.400000114.2L227 F228 I229 M233 P402L227-A231 WeakPolarHBondContact O-CB 3.15Å; L227-A231 PolarHBondContact O-N 2.83Å; F228-A231 PolarHBondContact O-N 2.71Å; I229-A231 PolarHBondContact O-N 3.05Å; A231-M233 VanDerWaalsContact C-N 3.27Å; A231-P402 HydrophobicContact CB-CB 3.64Å; A231-P402 HydrophobicContact CB-CG 4.04Å
232E85.1Confident88.9Confident91 Ų9145.7 Ų45.743%0.42523%0.226SC..THydrogen-bonded Turntrans-80.8-9.4168.6-60.7-166-139.600112.1F228 I229 R414F228-E232 PolarHBondContact O-N 3.04Å; I229-E232 PolarHBondContact O-N 2.97Å; I229-E232 VanDerWaalsContact O-N 3.14Å; E232-R414 WeakPolarHBondContact OE1-CA 3.45Å; E232-R414 WeakPolarHBondContact OE1-CB 3.37Å; E232-R414 WeakPolarHBondContact OE1-CG 3.34Å; E232-R414 IonicContact OE2-NE 3.72Å; E232-R414 PolarHBondContact OE2-NE 2.96Å; E232-R414 VanDerWaalsContact OE2-NE 3.13Å
233M86.4Confident89.5Confident36 Ų3645.6 Ų45.618%0.17723%0.225CC..SBendtrans-88.4158.5177.5-55.4-174.4-16500113.4V104 M107 I229 M230 A231 T237 R238 L241V104-M233 HydrophobicContact CB-CE 4.38Å; V104-M233 HydrophobicContact CG1-CE 3.58Å; V104-M233 HydrophobicContact CG2-CE 4.17Å; M107-M233 HydrophobicContact CG-CE 4.25Å; I229-M233 HydrophobicContact CG2-CE 4.04Å; M230-M233 HydrophobicContact CE-CE 4.27Å; M230-M233 HydrophobicContact CE-SD 3.79Å; M230-M233 WeakPolarHBondContact O-CB 3.48Å; M230-M233 PolarHBondContact O-N 2.97Å; M230-M233 HydrophobicContact SD-CE 3.38Å; M230-M233 WeakPolarHBondContact SD-CE 2.84Å; M230-M233 HydrophobicContact SD-SD 3.72Å; A231-M233 VanDerWaalsContact C-N 3.27Å; M233-T237 HydrophobicContact CB-CG2 4.44Å; M233-T237 HydrophobicContact SD-CG2 4.05Å; M233-R238 HydrophobicContact CB-CG 4.25Å; M233-L241 HydrophobicContact SD-CD1 4.12Å
234T91Very high90Very high76 Ų7646 Ų4647%0.46623%0.226SC..  trans-67.7153.4174.284.80000112.1E236 T237 R238T234-E236 VanDerWaalsContact C-N 3.29Å; T234-E236 WeakPolarHBondContact CB-OE2 3.32Å; T234-E236 PolarHBondContact O-N 3.05Å; T234-E236 PolarHBondContact OG1-OE2 2.69Å; T234-T237 WeakPolarHBondContact O-CB 3.15Å; T234-T237 PolarHBondContact O-N 3Å; T234-T237 VanDerWaalsContact O-N 3.12Å; T234-T237 PolarHBondContact OG1-N 2.83Å; T234-T237 PolarHBondContact OG1-OG1 2.73Å; T234-R238 PolarHBondContact O-N 3.17Å
235N90.5Very high90.6Very high95 Ų9544.1 Ų44.151%0.50822%0.217SC..Hα-helixtrans-61.4-36.6179.9-75.8-23.3000112.2T237 R238 V239N235-T237 VanDerWaalsContact C-N 3.28Å; N235-T237 PolarHBondContact O-N 2.75Å; N235-R238 PolarHBondContact O-N 3.15Å; N235-V239 WeakPolarHBondContact O-CB 3.33Å; N235-V239 VanDerWaalsContact O-CG2 3.24Å; N235-V239 WeakPolarHBondContact O-CG2 3.12Å; N235-V239 PolarHBondContact O-N 3.32Å
236E93.3Very high91Very high130 Ų13049.5 Ų49.561%0.60724%0.239SC*.Hα-helixtrans-63.3-37.6177.1-50.370.9-151.300111.2T234 R240T234-E236 VanDerWaalsContact C-N 3.29Å; T234-E236 WeakPolarHBondContact CB-OE2 3.32Å; T234-E236 PolarHBondContact O-N 3.05Å; T234-E236 PolarHBondContact OG1-OE2 2.69Å; E236-R240 WeakPolarHBondContact O-CB 3.48Å; E236-R240 WeakPolarHBondContact O-CG 3.38Å; E236-R240 PolarHBondContact O-N 3.46Å
237T92.8Very high91.2Very high48 Ų4852.4 Ų52.429%0.29425%0.254SS..Hα-helixtrans-67-48.1177.1-52.70000110.1M233 T234 N235 V239 R240 L241M233-T237 HydrophobicContact CB-CG2 4.44Å; M233-T237 HydrophobicContact SD-CG2 4.05Å; T234-T237 WeakPolarHBondContact O-CB 3.15Å; T234-T237 PolarHBondContact O-N 3Å; T234-T237 VanDerWaalsContact O-N 3.12Å; T234-T237 PolarHBondContact OG1-N 2.83Å; T234-T237 PolarHBondContact OG1-OG1 2.73Å; N235-T237 VanDerWaalsContact C-N 3.28Å; N235-T237 PolarHBondContact O-N 2.75Å; T237-V239 VanDerWaalsContact C-N 3.34Å; T237-V239 PolarHBondContact O-N 2.04Å; T237-R240 PolarHBondContact O-N 3.47Å; T237-L241 HydrophobicContact CG2-CD1 3.93Å; T237-L241 HydrophobicContact CG2-CG 4.46Å; T237-L241 VanDerWaalsContact O-CG 3.3Å; T237-L241 WeakPolarHBondContact O-CG 3.28Å; T237-L241 PolarHBondContact O-N 3.09Å
238R93.6Very high91.5Very high21 Ų2151.5 Ų51.58%0.07925%0.249CC..Hα-helixtrans-59.1-43.2176-66171.162.7-165-9.8112.1Y96 M230 M233 T234 N235 R240 L241 S242 D270Y96-R238 HydrophobicContact CE1-CB 4.18Å; Y96-R238 PolarHBondContact OH-NE 3.48Å; M230-R238 HydrophobicContact CE-CG 4.41Å; M230-R238 VanDerWaalsContact O-CD 3.25Å; M230-R238 WeakPolarHBondContact O-CD 3.45Å; M230-R238 WeakPolarHBondContact O-CG 3.31Å; M233-R238 HydrophobicContact CB-CG 4.25Å; T234-R238 PolarHBondContact O-N 3.17Å; N235-R238 PolarHBondContact O-N 3.15Å; R238-R240 PolarHBondContact O-N 3.23Å; R238-L241 PolarHBondContact O-N 3.22Å; R238-S242 WeakPolarHBondContact O-CB 3.43Å; R238-S242 PolarHBondContact O-N 3.39Å; R238-D270 PolarHBondContact NH2-O 3.23Å
239V95.9Very high91.8Very high33 Ų3351.2 Ų51.220%0.225%0.248CC..Hα-helixtrans-62.1-41.2177.2168.80000111.9N235 T237 Q244 L267 V269 N275N235-V239 WeakPolarHBondContact O-CB 3.33Å; N235-V239 VanDerWaalsContact O-CG2 3.24Å; N235-V239 WeakPolarHBondContact O-CG2 3.12Å; N235-V239 PolarHBondContact O-N 3.32Å; T237-V239 VanDerWaalsContact C-N 3.34Å; T237-V239 PolarHBondContact O-N 2.04Å; V239-Q244 PolarHBondContact O-NE2 2.94Å; V239-L267 HydrophobicContact CG1-CD2 3.98Å; V239-L267 HydrophobicContact CG2-CD2 4.09Å; V239-V269 HydrophobicContact CG2-CG1 4.42Å; V239-V269 HydrophobicContact CG2-CG2 3.46Å; V239-V269 VanDerWaalsContact CG2-CG2 3.46Å; V239-N275 WeakPolarHBondContact CA-OD1 3.46Å; V239-N275 PolarHBondContact O-ND2 3.44Å
240R95.1Very high92Very high174 Ų17454.5 Ų54.566%0.65727%0.265SS*.Hα-helixtrans-67.2-41.1177.2-79.9174.553.3-164.4-10113.4E236 T237 R238 S242 Q244E236-R240 WeakPolarHBondContact O-CB 3.48Å; E236-R240 WeakPolarHBondContact O-CG 3.38Å; E236-R240 PolarHBondContact O-N 3.46Å; T237-R240 PolarHBondContact O-N 3.47Å; R238-R240 PolarHBondContact O-N 3.23Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.23Å; R240-Q244 PolarHBondContact O-NE2 3.28Å
241L94.7Very high92.2Very high10 Ų1060 Ų605%0.05229%0.291CS..Hα-helixtrans-74.8-16.5-177.6-66.1175000112.9Y96 K97 L100 V101 V104 M230 M233 T237 R238Y96-L241 CarbonylContact C-O 3.56Å; Y96-L241 WeakPolarHBondContact CA-O 3.32Å; Y96-L241 HydrophobicContact CD1-CB 3.99Å; K97-L241 PolarHBondContact N-O 2.92Å; L100-L241 HydrophobicContact CB-CD2 3.63Å; V101-L241 HydrophobicContact CG2-CB 4.45Å; V104-L241 HydrophobicContact CG2-CD1 3.99Å; M230-L241 HydrophobicContact CE-CB 4.38Å; M230-L241 HydrophobicContact CE-CD1 3.61Å; M233-L241 HydrophobicContact SD-CD1 4.12Å; T237-L241 HydrophobicContact CG2-CD1 3.93Å; T237-L241 HydrophobicContact CG2-CG 4.46Å; T237-L241 VanDerWaalsContact O-CG 3.3Å; T237-L241 WeakPolarHBondContact O-CG 3.28Å; T237-L241 PolarHBondContact O-N 3.09Å; R238-L241 PolarHBondContact O-N 3.22Å
242S95.2Very high92.6Very high1 Ų159.4 Ų59.41%0.00729%0.286CS..SBendtrans-91.1175179.8-1660000113.2P95 R238 R240 Q244 N275P95-S242 VanDerWaalsContact O-CB 3.24Å; P95-S242 WeakPolarHBondContact O-CB 3.34Å; P95-S242 PolarHBondContact O-OG 3.22Å; R238-S242 WeakPolarHBondContact O-CB 3.43Å; R238-S242 PolarHBondContact O-N 3.39Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.23Å; S242-Q244 PolarHBondContact O-NE2 3.43Å; S242-N275 PolarHBondContact OG-N 2.94Å
243Q94.2Very high93.1Very high7 Ų756.6 Ų56.63%0.03328%0.276CS..  trans-64.3135.1-179.3-171.569.32.400110.3N92 D247 F248 N275 Y277N92-Q243 HydrophobicContact CB-CB 4.45Å; Q243-D247 PolarHBondContact NE2-O 3.39Å; Q243-F248 HydrophobicContact CG-CB 3.77Å; Q243-F248 HydrophobicContact CG-CD2 3.87Å; Q243-F248 HydrophobicContact CG-CG 4.1Å; Q243-N275 VanDerWaalsContact O-CB 3.32Å; Q243-N275 WeakPolarHBondContact O-CB 3.48Å; Q243-N275 PolarHBondContact O-ND2 3.42Å; Q243-Y277 PolarHBondContact O-OH 2.73Å
244Q94.7Very high93.5Very high68 Ų6855.8 Ų55.832%0.31827%0.272SS..  trans-91.1149.8-179.4-58-55.2-50.900111.6V239 R240 S242 K246 D247 F248V239-Q244 PolarHBondContact O-NE2 2.94Å; R240-Q244 PolarHBondContact O-NE2 3.28Å; S242-Q244 PolarHBondContact O-NE2 3.43Å; Q244-K246 PolarHBondContact O-N 2.99Å; Q244-D247 PolarHBondContact O-N 3.02Å; Q244-D247 VanDerWaalsContact O-N 3.1Å; Q244-F248 WeakPolarHBondContact O-CB 3.49Å; Q244-F248 PolarHBondContact O-N 2.69Å
245K94.4Very high93.6Very high31 Ų3154 Ų5414%0.13526%0.26CS..Hα-helixtrans-55-47.5-170.7-164-169.2-60.1169.90113.2F248 I249 I261 E262 F265 Y277K245-F248 PolarHBondContact O-N 2.96Å; K245-I249 PolarHBondContact O-N 2.7Å; K245-I261 HydrophobicContact CD-CG2 4.02Å; K245-I261 VanDerWaalsContact CD-O 3.29Å; K245-I261 WeakPolarHBondContact CD-O 3.22Å; K245-I261 HydrophobicContact CG-CG2 4.07Å; K245-E262 PolarHBondContact NZ-O 3.02Å; K245-E262 IonicContact NZ-OE2 2.83Å; K245-E262 PolarHBondContact NZ-OE2 3.26Å; K245-F265 HydrophobicContact CD-CB 4.27Å; K245-F265 WeakPolarHBondContact CE-O 3.17Å; K245-F265 PolarHBondContact NZ-O 3.26Å; K245-F265 VanDerWaalsContact NZ-O 3.16Å; K245-Y277 HydrophobicContact CB-CD1 4.13Å; K245-Y277 HydrophobicContact CB-CE1 3.55Å; K245-Y277 HydrophobicContact CB-CE2 4.34Å; K245-Y277 HydrophobicContact CD-CD1 4.26Å; K245-Y277 HydrophobicContact CD-CE1 4.35Å; K245-Y277 HydrophobicContact CG-CD1 3.71Å; K245-Y277 HydrophobicContact CG-CE1 3.68Å; K245-Y277 HydrophobicContact CG-CG 4.2Å; K245-Y277 PolarHBondContact N-OH 3.01Å
246K90.2Very high93.6Very high150 Ų15052.1 Ų52.165%0.65226%0.262SS*.Hα-helixtrans-68.7-31.3-179.1-61.7-176.2-178.2179.40113.5Q244 F248 E262Q244-K246 PolarHBondContact O-N 2.99Å; K246-F248 VanDerWaalsContact C-N 3.32Å; K246-E262 WeakPolarHBondContact CE-OE1 3.43Å; K246-E262 WeakPolarHBondContact CG-OE1 3.05Å
247D90.6Very high93.6Very high69 Ų6955.4 Ų55.437%0.36927%0.269SS..Hα-helixtrans-77.4-24.2176.8-55.6-3.3000111.3K97 Q243 Q244K97-D247 IonicContact NZ-OD2 3.52Å; K97-D247 PolarHBondContact NZ-OD2 3.16Å; Q243-D247 PolarHBondContact NE2-O 3.39Å; Q244-D247 PolarHBondContact O-N 3.02Å; Q244-D247 VanDerWaalsContact O-N 3.1Å
248F94.4Very high93.7Very high1 Ų159.6 Ų59.60%0.00429%0.285CS..Hα-helixtrans-91.1-55.4-175.7-169.1-127.1000111.9L90 N92 Q243 Q244 K245 K246 Y277 V302 Y303 V304 V318L90-F248 HydrophobicContact CB-CE1 3.87Å; L90-F248 HydrophobicContact CB-CZ 4.47Å; N92-F248 HydrophobicContact CB-CE2 3.9Å; N92-F248 HydrophobicContact CB-CZ 4.37Å; Q243-F248 HydrophobicContact CG-CB 3.77Å; Q243-F248 HydrophobicContact CG-CD2 3.87Å; Q243-F248 HydrophobicContact CG-CG 4.1Å; Q244-F248 WeakPolarHBondContact O-CB 3.49Å; Q244-F248 PolarHBondContact O-N 2.69Å; K245-F248 PolarHBondContact O-N 2.96Å; K246-F248 VanDerWaalsContact C-N 3.32Å; F248-Y277 HydrophobicContact CB-CE2 4.47Å; F248-Y277 AromaticContact CD1-CD2 3.59Å; F248-Y277 HydrophobicContact CD1-CD2 3.59Å; F248-Y277 HydrophobicContact CD1-CE2 4.06Å; F248-Y277 HydrophobicContact CE1-CD2 4.08Å; F248-Y277 HydrophobicContact CG-CD2 4.5Å; F248-V302 HydrophobicContact CD1-CG1 4.13Å; F248-V302 HydrophobicContact CD2-CG1 3.61Å; F248-V302 HydrophobicContact CE1-CG1 4.03Å; F248-V302 HydrophobicContact CE2-CG1 3.47Å; F248-V302 VanDerWaalsContact CE2-CG1 3.47Å; F248-V302 HydrophobicContact CG-CG1 3.95Å; F248-V302 HydrophobicContact CZ-CG1 3.71Å; F248-V302 CarbonylContact O-C 3.5Å; F248-V302 VanDerWaalsContact O-CA 3.27Å; F248-V302 WeakPolarHBondContact O-CA 3.3Å; F248-V302 VanDerWaalsContact O-CG1 3.28Å; F248-V302 WeakPolarHBondContact O-CG1 3.23Å; F248-Y303 WeakPolarHBondContact CD2-O 3.23Å; F248-Y303 PolarHBondContact O-N 3.3Å; F248-V304 HydrophobicContact CD2-CG1 4.07Å; F248-V304 HydrophobicContact CE2-CG1 3.66Å; F248-V318 HydrophobicContact CE2-CG2 3.86Å; F248-V318 HydrophobicContact CZ-CG1 4.06Å; F248-V318 HydrophobicContact CZ-CG2 3.83Å
249I94Very high93.7Very high2 Ų259.2 Ų59.21%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-97.2105.6-176.1-53.7174.2000108L90 K245 C252 I261 F265 Y277 L300L90-I249 HydrophobicContact CD1-CD1 4.44Å; K245-I249 PolarHBondContact O-N 2.7Å; I249-C252 HydrophobicContact CG2-CB 4.4Å; I249-I261 HydrophobicContact CB-CG2 4.03Å; I249-I261 HydrophobicContact CD1-CG2 4.45Å; I249-I261 HydrophobicContact CG2-CD1 3.95Å; I249-I261 HydrophobicContact CG2-CG1 4.07Å; I249-I261 HydrophobicContact CG2-CG2 4.2Å; I249-F265 HydrophobicContact CD1-CD1 3.54Å; I249-F265 HydrophobicContact CD1-CD2 4.12Å; I249-F265 HydrophobicContact CD1-CE1 3.62Å; I249-F265 HydrophobicContact CD1-CE2 4.2Å; I249-F265 HydrophobicContact CD1-CG 3.79Å; I249-F265 HydrophobicContact CD1-CZ 3.97Å; I249-Y277 HydrophobicContact CD1-CG 4.49Å; I249-L300 HydrophobicContact CG2-CD2 4.34Å
250L91Very high93.7Very high86 Ų8661.4 Ų61.445%0.4530%0.296SS..EExtended strand (participates in β ladder)trans-82.2-41.6179.4-59.7-172.6000112V301 Y303L250-V301 HydrophobicContact CB-CB 4.48Å; L250-V301 HydrophobicContact CB-CG1 4.38Å; L250-V301 HydrophobicContact CD1-CG1 4.34Å; L250-V301 PolarHBondContact N-O 3.44Å; L250-Y303 HydrophobicContact CD1-CD2 4.46Å; L250-Y303 HydrophobicContact CD1-CG 4.49Å
251Q92.9Very high93.6Very high117 Ų11754.6 Ų54.655%0.54727%0.273SS..EExtended strand (participates in β ladder)trans-142147.8-179.3-59.3-177.2-12.300110.2L300 V301Q251-L300 WeakPolarHBondContact O-CA 3.4Å; Q251-V301 HydrophobicContact CB-CB 4Å; Q251-V301 HydrophobicContact CB-CG2 4.1Å; Q251-V301 HydrophobicContact CG-CB 4.38Å; Q251-V301 PolarHBondContact N-O 3.02Å; Q251-V301 PolarHBondContact O-N 3.36Å
252C95Very high93.5Very high2 Ų258.2 Ų58.21%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-146.9133.2174.1177.50000109.5I249 Q258 C259 I261 F265 S299 L300I249-C252 HydrophobicContact CG2-CB 4.4Å; C252-Q258 WeakPolarHBondContact O-CA 3.3Å; C252-Q258 PolarHBondContact O-NE2 3.35Å; C252-Q258 PolarHBondContact O-OE1 2.7Å; C252-C259 HydrophobicContact CB-CB 3.53Å; C252-C259 WeakPolarHBondContact CB-SG 3.39Å; C252-C259 PolarHBondContact O-N 2.66Å; C252-C259 PolarHBondContact O-SG 3.32Å; C252-C259 VanDerWaalsContact O-SG 3.34Å; C252-C259 WeakPolarHBondContact SG-CB 3.35Å; C252-C259 CovalentContact SG-SG 2.04Å; C252-C259 PolarHBondContact SG-SG 3.36Å; C252-I261 HydrophobicContact CB-CG1 4.21Å; C252-F265 HydrophobicContact CB-CE2 4.26Å; C252-S299 CarbonylContact C-O 3.48Å; C252-S299 WeakPolarHBondContact CA-O 3.33Å; C252-L300 HydrophobicContact CB-CD2 3.63Å; C252-L300 VanDerWaalsContact SG-CD2 3.53Å
253S95.4Very high93.4Very high32 Ų3266.2 Ų66.222%0.22432%0.324CS..EExtended strand (participates in β ladder)trans-132.2146.8164.467.30000111.5R257 C259 L298 S299S253-R257 CarbonylContact C-O 3.48Å; S253-R257 WeakPolarHBondContact CA-O 3.46Å; S253-R257 WeakPolarHBondContact CB-O 3.35Å; S253-C259 VanDerWaalsContact C-SG 3.56Å; S253-C259 VanDerWaalsContact CA-SG 3.54Å; S253-C259 PolarHBondContact N-SG 3.48Å; S253-C259 VanDerWaalsContact N-SG 3.39Å; S253-L298 WeakPolarHBondContact O-CA 3.2Å; S253-S299 PolarHBondContact N-O 3.08Å; S253-S299 PolarHBondContact O-N 3.06Å
254F95.3Very high93.4Very high19 Ų1967 Ų678%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-138.5131.9176.7180-108.3000109.7F85 G256 R257 F279 R287 T289 G297 L298F85-F254 HydrophobicContact CB-CE2 4.17Å; F85-F254 HydrophobicContact CB-CZ 3.95Å; F85-F254 AromaticContact CD1-CE2 3.72Å; F85-F254 HydrophobicContact CD1-CE2 3.72Å; F85-F254 HydrophobicContact CD1-CZ 4.26Å; F85-F254 AromaticContact CD2-CE2 3.86Å; F85-F254 HydrophobicContact CD2-CE2 3.86Å; F85-F254 HydrophobicContact CD2-CZ 4.39Å; F85-F254 AromaticContact CE1-CE2 3.99Å; F85-F254 HydrophobicContact CE1-CE2 3.99Å; F85-F254 HydrophobicContact CE2-CE2 4.13Å; F85-F254 AromaticContact CG-CE2 3.64Å; F85-F254 HydrophobicContact CG-CE2 3.64Å; F85-F254 AromaticContact CG-CZ 3.95Å; F85-F254 HydrophobicContact CG-CZ 3.95Å; F85-F254 HydrophobicContact CZ-CE2 4.19Å; F254-G256 PolarHBondContact O-N 3.29Å; F254-R257 PolarHBondContact N-O 2.92Å; F254-R257 PolarHBondContact O-N 2.77Å; F254-F279 HydrophobicContact CB-CZ 3.82Å; F254-F279 HydrophobicContact CD1-CZ 4.07Å; F254-F279 AromaticContact CD2-CE1 3.84Å; F254-F279 HydrophobicContact CD2-CE1 3.84Å; F254-F279 AromaticContact CD2-CZ 3.91Å; F254-F279 HydrophobicContact CD2-CZ 3.91Å; F254-F279 HydrophobicContact CE2-CE1 4.12Å; F254-F279 HydrophobicContact CG-CE1 4.07Å; F254-F279 AromaticContact CG-CZ 3.66Å; F254-F279 HydrophobicContact CG-CZ 3.66Å; F254-R287 HydrophobicContact CE1-CB 3.85Å; F254-R287 HydrophobicContact CE1-CG 4.43Å; F254-R287 HydrophobicContact CZ-CB 4.13Å; F254-T289 HydrophobicContact CE2-CG2 4.05Å; F254-T289 HydrophobicContact CZ-CG2 4.1Å; F254-G297 WeakPolarHBondContact CA-O 3.47Å; F254-L298 HydrophobicContact CB-CD1 4.29Å; F254-L298 HydrophobicContact CD2-CB 4.19Å; F254-L298 HydrophobicContact CD2-CD1 4.48Å
255N92.5Very high93.4Very high39 Ų3963.9 Ų63.921%0.20931%0.314CS..THydrogen-bonded Turntrans48.540.3-167.8-76.8-81.4000113.2R257 T288 S290 Y296 G297N255-R257 PolarHBondContact O-N 3.22Å; N255-T288 PolarHBondContact ND2-O 3.01Å; N255-S290 PolarHBondContact OD1-N 2.73Å; N255-S290 PolarHBondContact OD1-OG 2.89Å; N255-Y296 WeakPolarHBondContact CA-O 3.47Å; N255-Y296 PolarHBondContact N-O 2.88Å; N255-Y296 PolarHBondContact OD1-O 2.84Å; N255-G297 PolarHBondContact N-O 3.21Å
256G90.7Very high93.5Very high54 Ų5468.3 Ų68.356%0.55733%0.333SS*.THydrogen-bonded Turntrans6611.3-176.900000115.8F254 I295F254-G256 PolarHBondContact O-N 3.29Å; G256-I295 PolarHBondContact N-O 2.89Å; G256-I295 VanDerWaalsContact N-O 3.08Å
257R93.5Very high93.8Very high199 Ų19964.5 Ų64.575%0.75132%0.319SS*.EExtended strand (participates in β ladder)trans-111.5139.3176.8-61.9-179-179.5-174.4-0.2110.6S253 F254 N255 C259S253-R257 CarbonylContact C-O 3.48Å; S253-R257 WeakPolarHBondContact CA-O 3.46Å; S253-R257 WeakPolarHBondContact CB-O 3.35Å; F254-R257 PolarHBondContact N-O 2.92Å; F254-R257 PolarHBondContact O-N 2.77Å; N255-R257 PolarHBondContact O-N 3.22Å; R257-C259 PolarHBondContact O-N 3.28Å
258Q94.7Very high93.9Very high136 Ų13662.6 Ų62.664%0.63631%0.307SS*.EExtended strand (participates in β ladder)trans-60.2129.4176.1-171.171.719.600111C252C252-Q258 WeakPolarHBondContact O-CA 3.3Å; C252-Q258 PolarHBondContact O-NE2 3.35Å; C252-Q258 PolarHBondContact O-OE1 2.7Å
259C94.2Very high94Very high14 Ų1464.4 Ų64.410%0.09532%0.318CS..  trans-75.7157.9176.1-39.60000111.6C252 S253 R257 I261 D264C252-C259 HydrophobicContact CB-CB 3.53Å; C252-C259 WeakPolarHBondContact CB-SG 3.39Å; C252-C259 PolarHBondContact O-N 2.66Å; C252-C259 PolarHBondContact O-SG 3.32Å; C252-C259 VanDerWaalsContact O-SG 3.34Å; C252-C259 WeakPolarHBondContact SG-CB 3.35Å; C252-C259 CovalentContact SG-SG 2.04Å; C252-C259 PolarHBondContact SG-SG 3.36Å; S253-C259 VanDerWaalsContact C-SG 3.56Å; S253-C259 VanDerWaalsContact CA-SG 3.54Å; S253-C259 PolarHBondContact N-SG 3.48Å; S253-C259 VanDerWaalsContact N-SG 3.39Å; R257-C259 PolarHBondContact O-N 3.28Å; C259-I261 PolarHBondContact O-N 3.33Å; C259-D264 WeakPolarHBondContact CA-OD2 3.2Å; C259-D264 WeakPolarHBondContact CB-OD2 3.24Å
260N94.2Very high94Very high78 Ų7864.5 Ų64.542%0.41732%0.319SS..  trans-91.396.7163.7-172.7-49.3000109.2E262 K263 D264N260-E262 PolarHBondContact O-N 2.89Å; N260-E262 VanDerWaalsContact O-N 3.09Å; N260-E262 PolarHBondContact OD1-N 3.06Å; N260-K263 HydrophobicContact CB-CB 4.25Å; N260-K263 PolarHBondContact O-N 3.38Å; N260-K263 VanDerWaalsContact O-N 3.1Å; N260-K263 PolarHBondContact OD1-N 2.92Å; N260-K263 VanDerWaalsContact OD1-N 3.15Å; N260-D264 PolarHBondContact N-OD2 2.94Å; N260-D264 WeakPolarHBondContact O-CB 3.46Å; N260-D264 VanDerWaalsContact O-CG 3.29Å; N260-D264 PolarHBondContact O-N 2.9Å
261I93.2Very high94.1Very high32 Ų3261.3 Ų61.316%0.16430%0.303CS..Hα-helixtrans-53.6-36.4-173.7-64167.5000112.2K245 I249 C252 C259K245-I261 HydrophobicContact CD-CG2 4.02Å; K245-I261 VanDerWaalsContact CD-O 3.29Å; K245-I261 WeakPolarHBondContact CD-O 3.22Å; K245-I261 HydrophobicContact CG-CG2 4.07Å; I249-I261 HydrophobicContact CB-CG2 4.03Å; I249-I261 HydrophobicContact CD1-CG2 4.45Å; I249-I261 HydrophobicContact CG2-CD1 3.95Å; I249-I261 HydrophobicContact CG2-CG1 4.07Å; I249-I261 HydrophobicContact CG2-CG2 4.2Å; C252-I261 HydrophobicContact CB-CG1 4.21Å; C259-I261 PolarHBondContact O-N 3.33Å
262E92.6Very high94.1Very high86 Ų8658 Ų5840%0.40229%0.291SS..Hα-helixtrans-72.1-39.2-179.6-72.1-56.6162.800114.3K245 K246 N260K245-E262 PolarHBondContact NZ-O 3.02Å; K245-E262 IonicContact NZ-OE2 2.83Å; K245-E262 PolarHBondContact NZ-OE2 3.26Å; K246-E262 WeakPolarHBondContact CE-OE1 3.43Å; K246-E262 WeakPolarHBondContact CG-OE1 3.05Å; N260-E262 PolarHBondContact O-N 2.89Å; N260-E262 VanDerWaalsContact O-N 3.09Å; N260-E262 PolarHBondContact OD1-N 3.06Å
263K93.2Very high94Very high168 Ų16859.6 Ų59.673%0.7330%0.297SS*.Hα-helixtrans-89.2-34.6-176.7-65.2-173.4175.5-171.90113.5N260N260-K263 HydrophobicContact CB-CB 4.25Å; N260-K263 PolarHBondContact O-N 3.38Å; N260-K263 VanDerWaalsContact O-N 3.1Å; N260-K263 PolarHBondContact OD1-N 2.92Å; N260-K263 VanDerWaalsContact OD1-N 3.15Å
264D94.4Very high94Very high23 Ų2358.1 Ų58.112%0.12329%0.286CS..Hα-helixtrans-82.7-14.8-171.3-65.5-5000112.9C259 N260 F279 R287C259-D264 WeakPolarHBondContact CA-OD2 3.2Å; C259-D264 WeakPolarHBondContact CB-OD2 3.24Å; N260-D264 PolarHBondContact N-OD2 2.94Å; N260-D264 WeakPolarHBondContact O-CB 3.46Å; N260-D264 VanDerWaalsContact O-CG 3.29Å; N260-D264 PolarHBondContact O-N 2.9Å; D264-F279 HydrophobicContact CB-CD2 4.13Å; D264-F279 HydrophobicContact CB-CE2 4.01Å; D264-F279 WeakPolarHBondContact O-CA 3.06Å; D264-R287 IonicContact OD1-CZ 3.46Å; D264-R287 IonicContact OD1-NH1 2.75Å; D264-R287 IonicContact OD1-NH2 2.69Å; D264-R287 PolarHBondContact OD1-NH2 3.35Å; D264-R287 IonicContact OD2-CZ 2.73Å; D264-R287 IonicContact OD2-NH1 3.56Å; D264-R287 PolarHBondContact OD2-NH1 3.26Å; D264-R287 IonicContact OD2-NH2 3.56Å
265F95.6Very high94.1Very high3 Ų357.2 Ų57.21%0.01328%0.283CS..EExtended strand (participates in β ladder)trans-118.4112.5179.7-68.5-97.1000111.8L90 K245 I249 C252 F279 L300L90-F265 HydrophobicContact CD1-CE1 3.89Å; K245-F265 HydrophobicContact CD-CB 4.27Å; K245-F265 WeakPolarHBondContact CE-O 3.17Å; K245-F265 PolarHBondContact NZ-O 3.26Å; K245-F265 VanDerWaalsContact NZ-O 3.16Å; I249-F265 HydrophobicContact CD1-CD1 3.54Å; I249-F265 HydrophobicContact CD1-CD2 4.12Å; I249-F265 HydrophobicContact CD1-CE1 3.62Å; I249-F265 HydrophobicContact CD1-CE2 4.2Å; I249-F265 HydrophobicContact CD1-CG 3.79Å; I249-F265 HydrophobicContact CD1-CZ 3.97Å; C252-F265 HydrophobicContact CB-CE2 4.26Å; F265-F279 HydrophobicContact CD1-CB 4.02Å; F265-F279 HydrophobicContact CD2-CD2 4.39Å; F265-F279 HydrophobicContact CE1-CB 3.62Å; F265-F279 HydrophobicContact CE1-CD2 4.2Å; F265-F279 HydrophobicContact CE1-CG 4.35Å; F265-F279 AromaticContact CE2-CD2 3.84Å; F265-F279 HydrophobicContact CE2-CD2 3.84Å; F265-F279 HydrophobicContact CZ-CB 4Å; F265-F279 AromaticContact CZ-CD2 3.72Å; F265-F279 HydrophobicContact CZ-CD2 3.72Å; F265-F279 HydrophobicContact CZ-CG 4.23Å; F265-L300 HydrophobicContact CE1-CD2 4.48Å; F265-L300 HydrophobicContact CZ-CD2 3.76Å
266K95.4Very high94.4Very high124 Ų12455.4 Ų55.454%0.53927%0.273SS..EExtended strand (participates in β ladder)trans-79.3139.4171.7-169.6176.2176.9-177.20110.1Y277 M278 S281K266-Y277 WeakPolarHBondContact O-CA 3.15Å; K266-M278 HydrophobicContact CB-CE 4.25Å; K266-M278 HydrophobicContact CD-CE 3.86Å; K266-M278 HydrophobicContact CG-CE 4.15Å; K266-M278 PolarHBondContact N-O 3.26Å; K266-M278 VanDerWaalsContact N-O 3.11Å; K266-M278 PolarHBondContact O-N 2.88Å; K266-S281 WeakPolarHBondContact CB-OG 3.47Å
267L96.4Very high94.7Very high70 Ų7053 Ų5337%0.36625%0.247SC..EExtended strand (participates in β ladder)trans-76.7131.9171.4174.564.1000109.8V239 V269 N275 Y277V239-L267 HydrophobicContact CG1-CD2 3.98Å; V239-L267 HydrophobicContact CG2-CD2 4.09Å; L267-V269 HydrophobicContact CD1-CG2 4.36Å; L267-V269 HydrophobicContact CD2-CG2 4.28Å; L267-V269 HydrophobicContact CG-CG2 4.14Å; L267-N275 HydrophobicContact CD1-CB 3.79Å; L267-Y277 HydrophobicContact CB-CE1 4.31Å; L267-Y277 HydrophobicContact CD1-CD1 4.35Å; L267-Y277 HydrophobicContact CD1-CE1 3.68Å
268Y94.5Very high94.9Very high30 Ų3044.5 Ų44.512%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-125.2129.6166.2159.4-111.8000107.6D270 C276 M278 Y328 P329Y268-D270 HydrophobicContact CD1-CB 4.39Å; Y268-D270 HydrophobicContact CE1-CB 3.62Å; Y268-D270 WeakPolarHBondContact CE1-OD2 3.5Å; Y268-D270 PolarHBondContact OH-OD2 2.83Å; Y268-C276 HydrophobicContact CD1-CB 3.79Å; Y268-C276 PolarHBondContact N-O 2.93Å; Y268-C276 WeakPolarHBondContact O-CA 3.14Å; Y268-C276 WeakPolarHBondContact O-CB 3.47Å; Y268-C276 PolarHBondContact O-N 3.28Å; Y268-C276 VanDerWaalsContact O-O 3.13Å; Y268-M278 HydrophobicContact CD1-SD 4.48Å; Y268-M278 HydrophobicContact CG-SD 4.11Å; Y268-Y328 HydrophobicContact CE2-CE2 4.16Å; Y268-Y328 AromaticContact CE2-CZ 3.83Å; Y268-Y328 WeakPolarHBondContact CE2-OH 3.31Å; Y268-Y328 AromaticContact CZ-CZ 3.87Å; Y268-Y328 WeakPolarHBondContact OH-CE1 3.43Å; Y268-Y328 VanDerWaalsContact OH-CZ 3.31Å; Y268-Y328 PolarHBondContact OH-OH 3.47Å; Y268-P329 HydrophobicContact CD1-CG 4.05Å; Y268-P329 HydrophobicContact CE1-CG 3.73Å
269V94.9Very high95Very high39 Ų3938 Ų3824%0.23619%0.185CC..EExtended strand (participates in β ladder)trans-101.495.1-176.1-173.40000108.7V239 L267 G274V239-V269 HydrophobicContact CG2-CG1 4.42Å; V239-V269 HydrophobicContact CG2-CG2 3.46Å; V239-V269 VanDerWaalsContact CG2-CG2 3.46Å; L267-V269 HydrophobicContact CD1-CG2 4.36Å; L267-V269 HydrophobicContact CD2-CG2 4.28Å; L267-V269 HydrophobicContact CG-CG2 4.14Å; V269-G274 CarbonylContact C-O 3.57Å
270D95.1Very high95Very high4 Ų437.6 Ų37.62%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-73.9140178.4-166.7-95.1000111.3R238 Y268 V272 Y273 G274 P331R238-D270 PolarHBondContact NH2-O 3.23Å; Y268-D270 HydrophobicContact CD1-CB 4.39Å; Y268-D270 HydrophobicContact CE1-CB 3.62Å; Y268-D270 WeakPolarHBondContact CE1-OD2 3.5Å; Y268-D270 PolarHBondContact OH-OD2 2.83Å; D270-V272 WeakPolarHBondContact OD1-CA 3.38Å; D270-V272 WeakPolarHBondContact OD1-CB 3.26Å; D270-V272 PolarHBondContact OD1-N 2.9Å; D270-Y273 WeakPolarHBondContact OD1-CD2 3.33Å; D270-Y273 PolarHBondContact OD1-N 3.2Å; D270-G274 PolarHBondContact N-O 3.46Å; D270-G274 WeakPolarHBondContact O-CA 3.25Å; D270-G274 PolarHBondContact O-N 2.93Å; D270-P331 WeakPolarHBondContact OD2-CD 3.41Å; D270-P331 WeakPolarHBondContact OD2-CG 3.12Å
271P92.1Very high95Very high18 Ų1834.7 Ų34.712%0.11717%0.168CC..THydrogen-bonded Turntrans-57.1-46.3171.9-2737.2000113.4L227 P402L227-P271 VanDerWaalsContact CD1-C 3.48Å; L227-P271 HydrophobicContact CD1-CB 3.91Å; L227-P271 WeakPolarHBondContact CD1-O 3.48Å; P271-P402 WeakPolarHBondContact CB-O 3.42Å
272V92.4Very high94.7Very high49 Ų4936.3 Ų36.330%0.29718%0.177SC..THydrogen-bonded Turntrans-86.8-35.7-170.6-177.40000112.1P95 L227 D270 R403P95-V272 WeakPolarHBondContact CB-O 3.49Å; L227-V272 HydrophobicContact CD2-CG2 4.42Å; D270-V272 WeakPolarHBondContact OD1-CA 3.38Å; D270-V272 WeakPolarHBondContact OD1-CB 3.26Å; D270-V272 PolarHBondContact OD1-N 2.9Å; V272-R403 HydrophobicContact CG2-CG 4.42Å
273Y94.8Very high94.3Very high35 Ų3536 Ų3614%0.13718%0.179CC..THydrogen-bonded Turntrans-1121.1-174-58.8-77.3000115.5C91 P95 D270 R319 P331 D332C91-Y273 HydrophobicContact CB-CG 4.21Å; P95-Y273 WeakPolarHBondContact CA-O 2.96Å; D270-Y273 WeakPolarHBondContact OD1-CD2 3.33Å; D270-Y273 PolarHBondContact OD1-N 3.2Å; Y273-R319 WeakPolarHBondContact OH-CD 3.41Å; Y273-R319 PolarHBondContact OH-NE 3.18Å; Y273-R319 VanDerWaalsContact OH-NE 3.09Å; Y273-P331 HydrophobicContact CD2-CB 3.91Å; Y273-P331 HydrophobicContact CD2-CG 3.77Å; Y273-P331 HydrophobicContact CE2-CB 3.99Å; Y273-P331 HydrophobicContact CE2-CG 4.12Å; Y273-D332 HydrophobicContact CE2-CB 4.18Å
274G95.1Very high93.8Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans68.9-135179.300000112.6V269 D270 C276V269-G274 CarbonylContact C-O 3.57Å; D270-G274 PolarHBondContact N-O 3.46Å; D270-G274 WeakPolarHBondContact O-CA 3.25Å; D270-G274 PolarHBondContact O-N 2.93Å; G274-C276 PolarHBondContact O-N 2.98Å
275N97.3Very high93.1Very high1 Ų135 Ų351%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-69.9114.9179.9-71-10.7000111.3V239 S242 Q243 L267 Y277V239-N275 WeakPolarHBondContact CA-OD1 3.46Å; V239-N275 PolarHBondContact O-ND2 3.44Å; S242-N275 PolarHBondContact OG-N 2.94Å; Q243-N275 VanDerWaalsContact O-CB 3.32Å; Q243-N275 WeakPolarHBondContact O-CB 3.48Å; Q243-N275 PolarHBondContact O-ND2 3.42Å; L267-N275 HydrophobicContact CD1-CB 3.79Å; N275-Y277 HydrophobicContact CB-CE2 4.18Å
276C98Very high92.4Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-109.8154167.5-56.80000110.5T89 L90 C91 Y268 G274T89-C276 HydrophobicContact CG2-CB 4.11Å; L90-C276 CarbonylContact O-C 3.48Å; L90-C276 WeakPolarHBondContact O-CA 3.47Å; C91-C276 HydrophobicContact CB-CB 4.07Å; C91-C276 WeakPolarHBondContact CB-SG 3.46Å; C91-C276 WeakPolarHBondContact SG-CB 3.43Å; C91-C276 CovalentContact SG-SG 2.03Å; C91-C276 PolarHBondContact SG-SG 3.49Å; Y268-C276 HydrophobicContact CD1-CB 3.79Å; Y268-C276 PolarHBondContact N-O 2.93Å; Y268-C276 WeakPolarHBondContact O-CA 3.14Å; Y268-C276 WeakPolarHBondContact O-CB 3.47Å; Y268-C276 PolarHBondContact O-N 3.28Å; Y268-C276 VanDerWaalsContact O-O 3.13Å; G274-C276 PolarHBondContact O-N 2.98Å
277Y97.9Very high92.1Very high5 Ų536.1 Ų36.12%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-125.6120.6-176.4-63.5-69.5000110.7L90 Q243 K245 F248 I249 K266 L267 N275L90-Y277 PolarHBondContact N-O 2.98Å; L90-Y277 PolarHBondContact O-N 3Å; Q243-Y277 PolarHBondContact O-OH 2.73Å; K245-Y277 HydrophobicContact CB-CD1 4.13Å; K245-Y277 HydrophobicContact CB-CE1 3.55Å; K245-Y277 HydrophobicContact CB-CE2 4.34Å; K245-Y277 HydrophobicContact CD-CD1 4.26Å; K245-Y277 HydrophobicContact CD-CE1 4.35Å; K245-Y277 HydrophobicContact CG-CD1 3.71Å; K245-Y277 HydrophobicContact CG-CE1 3.68Å; K245-Y277 HydrophobicContact CG-CG 4.2Å; K245-Y277 PolarHBondContact N-OH 3.01Å; F248-Y277 HydrophobicContact CB-CE2 4.47Å; F248-Y277 AromaticContact CD1-CD2 3.59Å; F248-Y277 HydrophobicContact CD1-CD2 3.59Å; F248-Y277 HydrophobicContact CD1-CE2 4.06Å; F248-Y277 HydrophobicContact CE1-CD2 4.08Å; F248-Y277 HydrophobicContact CG-CD2 4.5Å; I249-Y277 HydrophobicContact CD1-CG 4.49Å; K266-Y277 WeakPolarHBondContact O-CA 3.15Å; L267-Y277 HydrophobicContact CB-CE1 4.31Å; L267-Y277 HydrophobicContact CD1-CD1 4.35Å; L267-Y277 HydrophobicContact CD1-CE1 3.68Å; N275-Y277 HydrophobicContact CB-CE2 4.18Å
278M97Very high91.8Very high19 Ų1935.6 Ų35.69%0.09420%0.195CC..EExtended strand (participates in β ladder)trans-106.8105.7-171.3-48.7-168.4-64.800110.7V87 T89 K266 Y268 S281V87-M278 HydrophobicContact CG1-CB 3.97Å; T89-M278 HydrophobicContact CG2-CG 4.01Å; T89-M278 VanDerWaalsContact OG1-CG 3.27Å; T89-M278 WeakPolarHBondContact OG1-CG 3.49Å; K266-M278 HydrophobicContact CB-CE 4.25Å; K266-M278 HydrophobicContact CD-CE 3.86Å; K266-M278 HydrophobicContact CG-CE 4.15Å; K266-M278 PolarHBondContact N-O 3.26Å; K266-M278 VanDerWaalsContact N-O 3.11Å; K266-M278 PolarHBondContact O-N 2.88Å; Y268-M278 HydrophobicContact CD1-SD 4.48Å; Y268-M278 HydrophobicContact CG-SD 4.11Å; M278-S281 PolarHBondContact O-OG 3.34Å; M278-S281 VanDerWaalsContact O-OG 3.07Å
279F96.8Very high91.6Very high0 Ų034.3 Ų34.30%019%0.19CC..EExtended strand (participates in β ladder)trans-72139170.3-176-102.9000110.5F85 V87 V88 F254 D264 F265 S281 L298F85-F279 HydrophobicContact CD1-CD1 4.23Å; F85-F279 HydrophobicContact CD1-CE1 4.03Å; F85-F279 HydrophobicContact CE1-CD1 4.13Å; F85-F279 HydrophobicContact CE1-CE1 4.11Å; V87-F279 WeakPolarHBondContact CA-O 3.42Å; V87-F279 WeakPolarHBondContact CG1-O 3.24Å; V88-F279 HydrophobicContact CB-CB 4.32Å; V88-F279 PolarHBondContact N-O 3.04Å; V88-F279 VanDerWaalsContact N-O 3.14Å; V88-F279 PolarHBondContact O-N 2.75Å; F254-F279 HydrophobicContact CB-CZ 3.82Å; F254-F279 HydrophobicContact CD1-CZ 4.07Å; F254-F279 AromaticContact CD2-CE1 3.84Å; F254-F279 HydrophobicContact CD2-CE1 3.84Å; F254-F279 AromaticContact CD2-CZ 3.91Å; F254-F279 HydrophobicContact CD2-CZ 3.91Å; F254-F279 HydrophobicContact CE2-CE1 4.12Å; F254-F279 HydrophobicContact CG-CE1 4.07Å; F254-F279 AromaticContact CG-CZ 3.66Å; F254-F279 HydrophobicContact CG-CZ 3.66Å; D264-F279 HydrophobicContact CB-CD2 4.13Å; D264-F279 HydrophobicContact CB-CE2 4.01Å; D264-F279 WeakPolarHBondContact O-CA 3.06Å; F265-F279 HydrophobicContact CD1-CB 4.02Å; F265-F279 HydrophobicContact CD2-CD2 4.39Å; F265-F279 HydrophobicContact CE1-CB 3.62Å; F265-F279 HydrophobicContact CE1-CD2 4.2Å; F265-F279 HydrophobicContact CE1-CG 4.35Å; F265-F279 AromaticContact CE2-CD2 3.84Å; F265-F279 HydrophobicContact CE2-CD2 3.84Å; F265-F279 HydrophobicContact CZ-CB 4Å; F265-F279 AromaticContact CZ-CD2 3.72Å; F265-F279 HydrophobicContact CZ-CD2 3.72Å; F265-F279 HydrophobicContact CZ-CG 4.23Å; F279-S281 VanDerWaalsContact C-N 3.31Å; F279-S281 PolarHBondContact O-N 3.34Å; F279-L298 HydrophobicContact CB-CD2 4.02Å; F279-L298 HydrophobicContact CD1-CD1 4.03Å; F279-L298 HydrophobicContact CD1-CD2 3.7Å; F279-L298 HydrophobicContact CD1-CG 4.41Å; F279-L298 HydrophobicContact CD2-CD1 4.04Å; F279-L298 HydrophobicContact CE1-CD1 3.9Å; F279-L298 HydrophobicContact CE1-CD2 4.28Å; F279-L298 HydrophobicContact CE2-CD1 3.91Å; F279-L298 HydrophobicContact CG-CD1 4.09Å; F279-L298 HydrophobicContact CG-CD2 3.85Å; F279-L298 HydrophobicContact CZ-CD1 3.83Å
280N95.1Very high91.1Very high5 Ų536 Ų363%0.02720%0.204CC..THydrogen-bonded Turntrans61.229.1176.3-157.747.3000115.9F85 D282 Q285 R287 Q325F85-N280 PolarHBondContact O-ND2 2.03Å; N280-D282 VanDerWaalsContact C-N 3.29Å; N280-D282 PolarHBondContact O-N 2.8Å; N280-Q285 PolarHBondContact OD1-O 3.39Å; N280-R287 VanDerWaalsContact OD1-CB 3.29Å; N280-R287 WeakPolarHBondContact OD1-CB 3.14Å; N280-R287 VanDerWaalsContact OD1-CD 3.3Å; N280-R287 WeakPolarHBondContact OD1-CD 3.42Å; N280-R287 WeakPolarHBondContact OD1-CG 3.47Å; N280-Q325 PolarHBondContact O-NE2 2.88Å
281S92.6Very high90.9Very high17 Ų1743.4 Ų43.412%0.11923%0.231CC..  trans-88.317178.455.40000114.8K266 M278 F279K266-S281 WeakPolarHBondContact CB-OG 3.47Å; M278-S281 PolarHBondContact O-OG 3.34Å; M278-S281 VanDerWaalsContact O-OG 3.07Å; F279-S281 VanDerWaalsContact C-N 3.31Å; F279-S281 PolarHBondContact O-N 3.34Å
282D88.4Confident91Very high66 Ų6644.3 Ų44.335%0.35324%0.24SC..  trans-114.6105.2-179.5174.86.3000109.3N280 S284 Q285N280-D282 VanDerWaalsContact C-N 3.29Å; N280-D282 PolarHBondContact O-N 2.8Å; D282-S284 PolarHBondContact O-N 3.15Å; D282-S284 VanDerWaalsContact O-N 3.08Å; D282-S284 VanDerWaalsContact OD1-CB 3.32Å; D282-S284 WeakPolarHBondContact OD1-CB 3.23Å; D282-S284 PolarHBondContact OD1-N 2.95Å; D282-S284 PolarHBondContact OD1-OG 3.06Å; D282-S284 PolarHBondContact OD2-OG 3.29Å; D282-S284 VanDerWaalsContact OD2-OG 3.06Å; D282-Q285 PolarHBondContact O-N 3.38Å; D282-Q285 PolarHBondContact OD2-NE2 3.03Å
283N83.3Confident91Very high81 Ų8142.8 Ų42.843%0.43324%0.235SC..THydrogen-bonded Turntrans-62.6-13.7-178.3-61.321.8000113.3Q285 Q325 D326N283-Q285 PolarHBondContact O-N 2.03Å; N283-Q325 WeakPolarHBondContact OD1-CB 3.34Å; N283-D326 PolarHBondContact ND2-OD1 2.81Å
284S83.5Confident91Very high98 Ų9843.1 Ų43.169%0.68524%0.241SC*.THydrogen-bonded Turntrans-74-15.2171.975.40000112.9D282D282-S284 PolarHBondContact O-N 3.15Å; D282-S284 VanDerWaalsContact O-N 3.08Å; D282-S284 VanDerWaalsContact OD1-CB 3.32Å; D282-S284 WeakPolarHBondContact OD1-CB 3.23Å; D282-S284 PolarHBondContact OD1-N 2.95Å; D282-S284 PolarHBondContact OD1-OG 3.06Å; D282-S284 PolarHBondContact OD2-OG 3.29Å; D282-S284 VanDerWaalsContact OD2-OG 3.06Å
285Q80Confident90.8Very high70 Ų7049.2 Ų49.233%0.32727%0.273SS..  trans-114.391.5-177.3-65.1-178.65600111.6N280 D282 N283 R287N280-Q285 PolarHBondContact OD1-O 3.39Å; D282-Q285 PolarHBondContact O-N 3.38Å; D282-Q285 PolarHBondContact OD2-NE2 3.03Å; N283-Q285 PolarHBondContact O-N 2.03Å; Q285-R287 VanDerWaalsContact C-N 3.3Å; Q285-R287 PolarHBondContact O-N 3.05Å
286N80.5Confident90.7Very high106 Ų10652.7 Ų52.757%0.56729%0.286SS*.  trans-71.578.4173.8-71.4-17.9000111.8Q84Q84-N286 VanDerWaalsContact NE2-CG 3.29Å; Q84-N286 PolarHBondContact NE2-OD1 2.89Å
287R89Confident90.5Very high45 Ų4552.8 Ų52.817%0.1729%0.287CS..  trans-76.1124.1174.4-61.9-171.5-177.4-147.2-2.8110.5F85 F254 D264 N280 Q285F85-R287 PolarHBondContact N-O 3.49Å; F254-R287 HydrophobicContact CE1-CB 3.85Å; F254-R287 HydrophobicContact CE1-CG 4.43Å; F254-R287 HydrophobicContact CZ-CB 4.13Å; D264-R287 IonicContact OD1-CZ 3.46Å; D264-R287 IonicContact OD1-NH1 2.75Å; D264-R287 IonicContact OD1-NH2 2.69Å; D264-R287 PolarHBondContact OD1-NH2 3.35Å; D264-R287 IonicContact OD2-CZ 2.73Å; D264-R287 IonicContact OD2-NH1 3.56Å; D264-R287 PolarHBondContact OD2-NH1 3.26Å; D264-R287 IonicContact OD2-NH2 3.56Å; N280-R287 VanDerWaalsContact OD1-CB 3.29Å; N280-R287 WeakPolarHBondContact OD1-CB 3.14Å; N280-R287 VanDerWaalsContact OD1-CD 3.3Å; N280-R287 WeakPolarHBondContact OD1-CD 3.42Å; N280-R287 WeakPolarHBondContact OD1-CG 3.47Å; Q285-R287 VanDerWaalsContact C-N 3.3Å; Q285-R287 PolarHBondContact O-N 3.05Å
288T90Very high90.5Very high60 Ų6052.5 Ų52.537%0.36829%0.286SS..BIsolated β-bridgetrans-118.9163.8175.556.40000110.5N255N255-T288 PolarHBondContact ND2-O 3.01Å
289T89.2Confident90.4Very high3 Ų353.1 Ų53.12%0.01829%0.292CS..  trans-102.4135.917355.90000110.2F85 F254 F450 L453F85-T289 HydrophobicContact CD2-CG2 3.53Å; F85-T289 HydrophobicContact CE2-CG2 4.11Å; F85-T289 HydrophobicContact CG-CG2 4.35Å; F254-T289 HydrophobicContact CE2-CG2 4.05Å; F254-T289 HydrophobicContact CZ-CG2 4.1Å; T289-F450 HydrophobicContact CG2-CD2 4.13Å; T289-F450 HydrophobicContact CG2-CE2 4.38Å; T289-F450 WeakPolarHBondContact OG1-CD2 3.43Å; T289-L453 WeakPolarHBondContact OG1-CD2 3.4Å
290S85.8Confident90.4Very high75 Ų7553.2 Ų53.252%0.52429%0.292SS..SBendtrans-77.1-27.3-176.954.70000113.2N255 Y296N255-S290 PolarHBondContact OD1-N 2.73Å; N255-S290 PolarHBondContact OD1-OG 2.89Å; S290-Y296 VanDerWaalsContact OG-CD1 3.3Å; S290-Y296 WeakPolarHBondContact OG-CD1 3.44Å
291R91.2Very high90.3Very high159 Ų15954.9 Ų54.960%0.630%0.303SS*.SBendtrans-150.8162.4179-69.3-172.9177176.4-2.6109.7Y296R291-Y296 HydrophobicContact CB-CD1 4Å; R291-Y296 HydrophobicContact CB-CD2 3.63Å; R291-Y296 HydrophobicContact CB-CE1 4.13Å; R291-Y296 HydrophobicContact CB-CE2 3.8Å; R291-Y296 HydrophobicContact CB-CG 3.74Å; R291-Y296 HydrophobicContact CG-CE1 4.33Å; R291-Y296 HydrophobicContact CG-CE2 4.47Å; R291-Y296 WeakPolarHBondContact O-CB 3.47Å
292A92.8Very high90.4Very high36 Ų3654 Ų5430%0.29830%0.297SS..SBendtrans-73.6158.2168.600000111.7F450 L453A292-F450 WeakPolarHBondContact CA-O 3.38Å; A292-F450 VanDerWaalsContact CB-O 3.31Å; A292-F450 WeakPolarHBondContact CB-O 3.41Å; A292-L453 HydrophobicContact CB-CG 4.41Å
293G93.3Very high90.6Very high18 Ų1854.5 Ų54.519%0.18629%0.294CS..SBendtrans102.1163.1174.600000116I295 Y296 G297 Y449 F450G293-I295 PolarHBondContact O-N 2.68Å; G293-Y296 PolarHBondContact O-N 3.49Å; G293-Y296 VanDerWaalsContact O-N 3.1Å; G293-G297 PolarHBondContact O-N 3.19Å; G293-Y449 WeakPolarHBondContact O-CB 3.39Å; G293-F450 PolarHBondContact N-O 2.86Å
294P93.8Very high91.1Very high42 Ų4250.7 Ų50.727%0.27327%0.274SS..G310 helixtrans-55.7-44.3-165.3-25.430.8000115.3Y296 G297 E447 Y449P294-Y296 PolarHBondContact O-N 2.93Å; P294-Y296 VanDerWaalsContact O-N 3.15Å; P294-G297 PolarHBondContact O-N 3.19Å; P294-G297 VanDerWaalsContact O-N 3.1Å; P294-E447 HydrophobicContact CB-CB 4.42Å; P294-Y449 HydrophobicContact CB-CD1 3.98Å; P294-Y449 HydrophobicContact CB-CE1 4.21Å; P294-Y449 HydrophobicContact CB-CG 4.44Å; P294-Y449 HydrophobicContact CG-CD1 3.86Å; P294-Y449 HydrophobicContact CG-CD2 4.46Å; P294-Y449 HydrophobicContact CG-CE1 3.67Å; P294-Y449 HydrophobicContact CG-CE2 4.3Å; P294-Y449 HydrophobicContact CG-CG 4.26Å
295I92.4Very high91.4Very high128 Ų12848.6 Ų48.666%0.65626%0.255SS*.G310 helixtrans-59.6-29-177.4-59.8173.3000112.3G256 G293G256-I295 PolarHBondContact N-O 2.89Å; G256-I295 VanDerWaalsContact N-O 3.08Å; G293-I295 PolarHBondContact O-N 2.68Å
296Y93.7Very high91.9Very high73 Ų7347 Ų4729%0.28625%0.25SC..G310 helixtrans-96-15-178-59.8-80.1000113.3N255 S290 R291 G293 P294N255-Y296 WeakPolarHBondContact CA-O 3.47Å; N255-Y296 PolarHBondContact N-O 2.88Å; N255-Y296 PolarHBondContact OD1-O 2.84Å; S290-Y296 VanDerWaalsContact OG-CD1 3.3Å; S290-Y296 WeakPolarHBondContact OG-CD1 3.44Å; R291-Y296 HydrophobicContact CB-CD1 4Å; R291-Y296 HydrophobicContact CB-CD2 3.63Å; R291-Y296 HydrophobicContact CB-CE1 4.13Å; R291-Y296 HydrophobicContact CB-CE2 3.8Å; R291-Y296 HydrophobicContact CB-CG 3.74Å; R291-Y296 HydrophobicContact CG-CE1 4.33Å; R291-Y296 HydrophobicContact CG-CE2 4.47Å; R291-Y296 WeakPolarHBondContact O-CB 3.47Å; G293-Y296 PolarHBondContact O-N 3.49Å; G293-Y296 VanDerWaalsContact O-N 3.1Å; P294-Y296 PolarHBondContact O-N 2.93Å; P294-Y296 VanDerWaalsContact O-N 3.15Å
297G94.7Very high92.3Very high2 Ų247.8 Ų47.82%0.02125%0.254CS..SBendtrans-78.7-156.5174.100000113.1F254 N255 G293 P294 I448F254-G297 WeakPolarHBondContact CA-O 3.47Å; N255-G297 PolarHBondContact N-O 3.21Å; G293-G297 PolarHBondContact O-N 3.19Å; P294-G297 PolarHBondContact O-N 3.19Å; P294-G297 VanDerWaalsContact O-N 3.1Å; G297-I448 CarbonylContact C-O 3.58Å; G297-I448 WeakPolarHBondContact CA-O 3.42Å
298L96.8Very high92.4Very high0 Ų046.8 Ų46.80%025%0.252CS..EExtended strand (participates in β ladder)trans-96.4117.1173.1-178.666.1000109.1F85 V88 S253 F254 F279 L300 E447 I448F85-L298 HydrophobicContact CE1-CB 3.9Å; F85-L298 HydrophobicContact CE1-CD2 4.34Å; F85-L298 HydrophobicContact CZ-CB 3.74Å; V88-L298 HydrophobicContact CB-CD2 3.83Å; V88-L298 HydrophobicContact CG1-CD2 3.98Å; V88-L298 HydrophobicContact CG2-CD2 4Å; S253-L298 WeakPolarHBondContact O-CA 3.2Å; F254-L298 HydrophobicContact CB-CD1 4.29Å; F254-L298 HydrophobicContact CD2-CB 4.19Å; F254-L298 HydrophobicContact CD2-CD1 4.48Å; F279-L298 HydrophobicContact CB-CD2 4.02Å; F279-L298 HydrophobicContact CD1-CD1 4.03Å; F279-L298 HydrophobicContact CD1-CD2 3.7Å; F279-L298 HydrophobicContact CD1-CG 4.41Å; F279-L298 HydrophobicContact CD2-CD1 4.04Å; F279-L298 HydrophobicContact CE1-CD1 3.9Å; F279-L298 HydrophobicContact CE1-CD2 4.28Å; F279-L298 HydrophobicContact CE2-CD1 3.91Å; F279-L298 HydrophobicContact CG-CD1 4.09Å; F279-L298 HydrophobicContact CG-CD2 3.85Å; F279-L298 HydrophobicContact CZ-CD1 3.83Å; L298-L300 HydrophobicContact CD1-CD2 4.11Å; L298-L300 HydrophobicContact CD1-CG 4.38Å; L298-L300 HydrophobicContact CD2-CD1 3.96Å; L298-L300 HydrophobicContact CD2-CG 4.44Å; L298-L300 HydrophobicContact CG-CD1 4.04Å; L298-L300 HydrophobicContact CG-CD2 4.26Å; L298-L300 HydrophobicContact CG-CG 4.02Å; L298-E447 CarbonylContact O-C 3.59Å; L298-E447 WeakPolarHBondContact O-CA 3.23Å; L298-I448 HydrophobicContact CB-CB 4.5Å; L298-I448 PolarHBondContact N-O 3.18Å; L298-I448 PolarHBondContact O-N 3.36Å
299S96.3Very high92.6Very high32 Ų3245 Ų4522%0.22424%0.239CC..EExtended strand (participates in β ladder)trans-114.9131.2175.1176.40000110C252 S253 L446C252-S299 CarbonylContact C-O 3.48Å; C252-S299 WeakPolarHBondContact CA-O 3.33Å; S253-S299 PolarHBondContact N-O 3.08Å; S253-S299 PolarHBondContact O-N 3.06Å; S299-L446 CarbonylContact C-O 3.56Å; S299-L446 WeakPolarHBondContact CA-O 2.93Å
300L95.6Very high92.7Very high1 Ų145.1 Ų45.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-136.4142.7-170-57.7158.2000111.1L90 I249 Q251 C252 F265 L298 V302 S445 L446 I448L90-L300 HydrophobicContact CD1-CD1 3.59Å; L90-L300 HydrophobicContact CD2-CD1 4.25Å; L90-L300 HydrophobicContact CG-CD1 4.49Å; I249-L300 HydrophobicContact CG2-CD2 4.34Å; Q251-L300 WeakPolarHBondContact O-CA 3.4Å; C252-L300 HydrophobicContact CB-CD2 3.63Å; C252-L300 VanDerWaalsContact SG-CD2 3.53Å; F265-L300 HydrophobicContact CE1-CD2 4.48Å; F265-L300 HydrophobicContact CZ-CD2 3.76Å; L298-L300 HydrophobicContact CD1-CD2 4.11Å; L298-L300 HydrophobicContact CD1-CG 4.38Å; L298-L300 HydrophobicContact CD2-CD1 3.96Å; L298-L300 HydrophobicContact CD2-CG 4.44Å; L298-L300 HydrophobicContact CG-CD1 4.04Å; L298-L300 HydrophobicContact CG-CD2 4.26Å; L298-L300 HydrophobicContact CG-CG 4.02Å; L300-V302 HydrophobicContact CB-CG2 4.08Å; L300-S445 CarbonylContact O-C 3.57Å; L300-S445 WeakPolarHBondContact O-CA 3.45Å; L300-L446 HydrophobicContact CB-CB 4.21Å; L300-L446 HydrophobicContact CD1-CB 4.35Å; L300-L446 HydrophobicContact CD1-CD1 4.2Å; L300-L446 PolarHBondContact N-O 3.12Å; L300-L446 PolarHBondContact O-N 3.45Å; L300-I448 HydrophobicContact CD1-CD1 4.19Å
301V94Very high92.6Very high40 Ų4043.3 Ų43.324%0.24223%0.226CC..EExtended strand (participates in β ladder)trans-110.7118.3161.4-176.90000107.6L250 Q251 L444L250-V301 HydrophobicContact CB-CB 4.48Å; L250-V301 HydrophobicContact CB-CG1 4.38Å; L250-V301 HydrophobicContact CD1-CG1 4.34Å; L250-V301 PolarHBondContact N-O 3.44Å; Q251-V301 HydrophobicContact CB-CB 4Å; Q251-V301 HydrophobicContact CB-CG2 4.1Å; Q251-V301 HydrophobicContact CG-CB 4.38Å; Q251-V301 PolarHBondContact N-O 3.02Å; Q251-V301 PolarHBondContact O-N 3.36Å; V301-L444 WeakPolarHBondContact CA-O 3.37Å
302V94.3Very high92.2Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-116.1140.5-175.9-174.10000109.5F248 L300 V318 A443 L444 L446F248-V302 HydrophobicContact CD1-CG1 4.13Å; F248-V302 HydrophobicContact CD2-CG1 3.61Å; F248-V302 HydrophobicContact CE1-CG1 4.03Å; F248-V302 HydrophobicContact CE2-CG1 3.47Å; F248-V302 VanDerWaalsContact CE2-CG1 3.47Å; F248-V302 HydrophobicContact CG-CG1 3.95Å; F248-V302 HydrophobicContact CZ-CG1 3.71Å; F248-V302 CarbonylContact O-C 3.5Å; F248-V302 VanDerWaalsContact O-CA 3.27Å; F248-V302 WeakPolarHBondContact O-CA 3.3Å; F248-V302 VanDerWaalsContact O-CG1 3.28Å; F248-V302 WeakPolarHBondContact O-CG1 3.23Å; L300-V302 HydrophobicContact CB-CG2 4.08Å; V302-V318 HydrophobicContact CB-CG2 4.34Å; V302-V318 HydrophobicContact CG1-CG2 3.68Å; V302-A443 CarbonylContact O-C 3.54Å; V302-A443 WeakPolarHBondContact O-CA 3.26Å; V302-L444 HydrophobicContact CB-CD2 4.15Å; V302-L444 HydrophobicContact CB-CG 4.18Å; V302-L444 HydrophobicContact CG1-CD2 4.45Å; V302-L444 PolarHBondContact N-O 2.91Å; V302-L444 WeakPolarHBondContact O-CD2 3.06Å; V302-L444 PolarHBondContact O-N 3.18Å; V302-L446 HydrophobicContact CG2-CD1 3.93Å
303Y92.5Very high92Very high76 Ų7635.5 Ų35.530%0.29819%0.192SC..EExtended strand (participates in β ladder)trans-116.8132.5178.6-177.2-87.9000110.8F248 L250 D305 N442F248-Y303 WeakPolarHBondContact CD2-O 3.23Å; F248-Y303 PolarHBondContact O-N 3.3Å; L250-Y303 HydrophobicContact CD1-CD2 4.46Å; L250-Y303 HydrophobicContact CD1-CG 4.49Å; Y303-D305 HydrophobicContact CE1-CB 4.07Å; Y303-N442 CarbonylContact C-O 3.59Å; Y303-N442 WeakPolarHBondContact CA-O 3.06Å; Y303-N442 HydrophobicContact CD2-CB 3.94Å; Y303-N442 HydrophobicContact CE2-CB 3.37Å; Y303-N442 PolarHBondContact OH-ND2 3.27Å
304V93.2Very high91.5Very high0 Ų038.9 Ų38.90%020%0.202CC..  trans-128.6129.2171.9-67.50000109.1F248 V306 Y309 V318 T340 N442 L444F248-V304 HydrophobicContact CD2-CG1 4.07Å; F248-V304 HydrophobicContact CE2-CG1 3.66Å; V304-V306 HydrophobicContact CG2-CG2 4.16Å; V304-V306 PolarHBondContact O-N 2.85Å; V304-V306 VanDerWaalsContact O-N 3.12Å; V304-Y309 HydrophobicContact CB-CE1 4.17Å; V304-V318 HydrophobicContact CG1-CG2 4.09Å; V304-T340 HydrophobicContact CG2-CG2 3.27Å; V304-N442 PolarHBondContact N-O 3.29Å; V304-N442 WeakPolarHBondContact O-CA 3.49Å; V304-N442 WeakPolarHBondContact O-CB 3.49Å; V304-L444 HydrophobicContact CG2-CD2 4.38Å
305D91Very high91.2Very high54 Ų5439.1 Ų39.129%0.28921%0.207SC..  trans-82.691.4177.8-166-16.9000110.2Y303 D307 D308 Y309Y303-D305 HydrophobicContact CE1-CB 4.07Å; D305-D307 PolarHBondContact O-N 3.26Å; D305-D307 PolarHBondContact OD1-N 2.8Å; D305-D308 HydrophobicContact CB-CB 4.03Å; D305-D308 PolarHBondContact O-N 2.79Å; D305-D308 VanDerWaalsContact O-N 3.13Å; D305-D308 PolarHBondContact OD1-N 2.89Å; D305-Y309 WeakPolarHBondContact O-CD1 3.49Å; D305-Y309 WeakPolarHBondContact O-CE1 3.38Å
306V89.9Confident91Very high36 Ų3635.1 Ų35.122%0.21819%0.191CC..G310 helixtrans-65.2-24.1-177.3-176.50000112.4V304 D308 T340 K441V304-V306 HydrophobicContact CG2-CG2 4.16Å; V304-V306 PolarHBondContact O-N 2.85Å; V304-V306 VanDerWaalsContact O-N 3.12Å; V306-D308 VanDerWaalsContact C-N 3.34Å; V306-T340 HydrophobicContact CG2-CG2 4.08Å; V306-K441 WeakPolarHBondContact CG2-O 3.47Å
307D89.4Confident91Very high124 Ų12431.7 Ų31.766%0.66318%0.177SC*.G310 helixtrans-79.4-20.1177.6-67.2-39000111.4D305D305-D307 PolarHBondContact O-N 3.26Å; D305-D307 PolarHBondContact OD1-N 2.8Å
308D91.9Very high91.1Very high23 Ų2331.6 Ų31.612%0.12318%0.176CC..G310 helixtrans-96.917174-163.726.3000113.8K97 N98 S99 D305 V306K97-D308 WeakPolarHBondContact CB-OD2 3.49Å; K97-D308 WeakPolarHBondContact CG-OD2 3.03Å; N98-D308 VanDerWaalsContact CB-O 3.29Å; N98-D308 WeakPolarHBondContact CB-O 3.48Å; N98-D308 PolarHBondContact N-O 2.91Å; N98-D308 PolarHBondContact N-OD1 2.81Å; N98-D308 VanDerWaalsContact N-OD1 3.11Å; S99-D308 VanDerWaalsContact CB-OD1 3.22Å; S99-D308 WeakPolarHBondContact CB-OD1 3.27Å; S99-D308 PolarHBondContact N-OD1 2.81Å; S99-D308 VanDerWaalsContact OG-CG 3.3Å; S99-D308 PolarHBondContact OG-OD1 2.82Å; S99-D308 PolarHBondContact OG-OD2 3.42Å; D305-D308 HydrophobicContact CB-CB 4.03Å; D305-D308 PolarHBondContact O-N 2.79Å; D305-D308 VanDerWaalsContact O-N 3.13Å; D305-D308 PolarHBondContact OD1-N 2.89Å; V306-D308 VanDerWaalsContact C-N 3.34Å
309Y93Very high91Very high24 Ų2432.6 Ų32.69%0.09418%0.18CC..  trans-74.7147.5175.6-86.427.3000112.4N92 N94 N98 V304 D305 T313 A315 G317N92-Y309 PolarHBondContact OD1-OH 2.89Å; N94-Y309 HydrophobicContact CB-CD1 3.42Å; N94-Y309 VanDerWaalsContact CB-CD1 3.42Å; N94-Y309 HydrophobicContact CB-CD2 3.76Å; N94-Y309 HydrophobicContact CB-CE1 3.43Å; N94-Y309 VanDerWaalsContact CB-CE1 3.43Å; N94-Y309 HydrophobicContact CB-CE2 3.72Å; N94-Y309 HydrophobicContact CB-CG 3.62Å; N98-Y309 PolarHBondContact ND2-O 2.96Å; V304-Y309 HydrophobicContact CB-CE1 4.17Å; D305-Y309 WeakPolarHBondContact O-CD1 3.49Å; D305-Y309 WeakPolarHBondContact O-CE1 3.38Å; Y309-T313 HydrophobicContact CD2-CG2 3.5Å; Y309-T313 HydrophobicContact CE2-CG2 3.78Å; Y309-T313 HydrophobicContact CG-CG2 4.4Å; Y309-A315 WeakPolarHBondContact CE2-O 3.43Å; Y309-G317 PolarHBondContact OH-N 2.03Å; Y309-G317 PolarHBondContact OH-O 2.88Å
310L90.9Very high91.1Very high5 Ų531.1 Ų31.13%0.02617%0.17CC..  trans-63.5143.7172.8-60.1174.3000110.5N94 P95 Y96 N98 V101 F111 T226 T312 T313N94-L310 WeakPolarHBondContact OD1-CG 3.24Å; N94-L310 PolarHBondContact OD1-N 2.81Å; P95-L310 HydrophobicContact CG-CD1 4.1Å; Y96-L310 WeakPolarHBondContact O-CG 3.28Å; N98-L310 HydrophobicContact CB-CD2 4.06Å; V101-L310 HydrophobicContact CB-CD2 4.19Å; V101-L310 HydrophobicContact CG1-CD2 4.25Å; V101-L310 HydrophobicContact CG2-CD2 4.33Å; F111-L310 HydrophobicContact CE2-CD2 3.8Å; F111-L310 HydrophobicContact CZ-CB 4.35Å; F111-L310 HydrophobicContact CZ-CD1 4.3Å; F111-L310 HydrophobicContact CZ-CD2 3.93Å; F111-L310 HydrophobicContact CZ-CG 4.42Å; T226-L310 HydrophobicContact CG2-CD1 4.42Å; L310-T312 PolarHBondContact O-N 2.92Å; L310-T313 WeakPolarHBondContact O-CB 3.37Å; L310-T313 PolarHBondContact O-N 2.82Å
311P84.3Confident91.2Very high37 Ų3731.1 Ų31.124%0.2417%0.17CC..THydrogen-bonded Turntrans-58.6-12.3175.4-25.734.9000114.9F114F114-P311 HydrophobicContact CD1-CB 4.32Å; F114-P311 HydrophobicContact CE1-CB 4.16Å
312T83.3Confident91.3Very high3 Ų331.6 Ų31.62%0.01817%0.172CC..THydrogen-bonded Turntrans-96.2-6.9177.648.30000113.8F111 F114 V219 A222 Q223 L310F111-T312 HydrophobicContact CD1-CG2 4.49Å; F111-T312 HydrophobicContact CE1-CG2 3.79Å; F114-T312 HydrophobicContact CE1-CG2 4.21Å; F114-T312 HydrophobicContact CZ-CG2 4.22Å; V219-T312 WeakPolarHBondContact CG1-O 3.38Å; A222-T312 HydrophobicContact CB-CG2 3.47Å; A222-T312 VanDerWaalsContact CB-CG2 3.47Å; Q223-T312 VanDerWaalsContact CD-O 3.28Å; Q223-T312 WeakPolarHBondContact CG-O 3.5Å; Q223-T312 PolarHBondContact NE2-O 2.76Å; L310-T312 PolarHBondContact O-N 2.92Å
313T88.4Confident91.3Very high28 Ų2832.3 Ų32.317%0.17218%0.176CC..  trans-77.8125.5-178.9-63.30000110.8I93 N94 Y309 L310I93-T313 HydrophobicContact CG2-CG2 4.1Å; N94-T313 HydrophobicContact CB-CG2 3.98Å; N94-T313 PolarHBondContact OD1-OG1 3.04Å; Y309-T313 HydrophobicContact CD2-CG2 3.5Å; Y309-T313 HydrophobicContact CE2-CG2 3.78Å; Y309-T313 HydrophobicContact CG-CG2 4.4Å; L310-T313 WeakPolarHBondContact O-CB 3.37Å; L310-T313 PolarHBondContact O-N 2.82Å
314K82.3Confident91.3Very high89 Ų8931.4 Ų31.439%0.38718%0.18SC..  trans-82.8-20.6-166.5-78.9170173.4156.40115.5V219 S220 L431V219-K314 HydrophobicContact CG1-CG 4Å; S220-K314 WeakPolarHBondContact OG-CE 3.45Å; S220-K314 PolarHBondContact OG-NZ 2.02Å; K314-L431 HydrophobicContact CB-CD1 4.17Å
315A86.5Confident91.3Very high46 Ų4632.8 Ų32.838%0.3819%0.187SC..  trans-156.4154.8-176.700000111I93 Y309I93-A315 VanDerWaalsContact CG2-O 3.31Å; I93-A315 WeakPolarHBondContact CG2-O 3.48Å; Y309-A315 WeakPolarHBondContact CE2-O 3.43Å
316S90.2Very high91.2Very high45 Ų4533.9 Ų33.932%0.31519%0.193SC..  trans-92.7136.9172.361.60000112T340S316-T340 PolarHBondContact OG-OG1 3.46Å
317G93Very high91.4Very high0 Ų034.6 Ų34.60%019%0.193CC..EExtended strand (participates in β ladder)trans141.6-163.617700000114.4I93 Y309 A338I93-G317 WeakPolarHBondContact CG1-O 3.41Å; I93-G317 PolarHBondContact N-O 3.31Å; Y309-G317 PolarHBondContact OH-N 2.03Å; Y309-G317 PolarHBondContact OH-O 2.88Å; G317-A338 VanDerWaalsContact CA-O 3.29Å; G317-A338 WeakPolarHBondContact CA-O 3.42Å
318V95.6Very high91.6Very high0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-119.2142.6-176.3173.40000109L90 C91 F248 V302 V304 A338 L444 L446L90-V318 HydrophobicContact CB-CG1 4.34Å; L90-V318 HydrophobicContact CD2-CG1 4.04Å; C91-V318 CarbonylContact O-C 3.57Å; C91-V318 WeakPolarHBondContact O-CA 2.98Å; C91-V318 WeakPolarHBondContact O-CG1 3.04Å; F248-V318 HydrophobicContact CE2-CG2 3.86Å; F248-V318 HydrophobicContact CZ-CG1 4.06Å; F248-V318 HydrophobicContact CZ-CG2 3.83Å; V302-V318 HydrophobicContact CB-CG2 4.34Å; V302-V318 HydrophobicContact CG1-CG2 3.68Å; V304-V318 HydrophobicContact CG1-CG2 4.09Å; V318-A338 PolarHBondContact N-O 2.92Å; V318-A338 PolarHBondContact O-N 2.97Å; V318-L444 HydrophobicContact CB-CD1 3.96Å; V318-L444 HydrophobicContact CG2-CD1 3.81Å; V318-L444 HydrophobicContact CG2-CD2 3.71Å; V318-L444 HydrophobicContact CG2-CG 4.31Å; V318-L446 HydrophobicContact CG1-CD1 4.33Å
319R96.4Very high91.8Very high22 Ų2229.4 Ų29.48%0.08316%0.164CC..EExtended strand (participates in β ladder)trans-100.9119.4170.8-162.9159.7179.470.13.3109.1C91 I93 Y273 P331 D332 G335 Y336 N337C91-R319 HydrophobicContact CB-CB 4.34Å; C91-R319 PolarHBondContact N-O 2.79Å; C91-R319 PolarHBondContact O-N 3.32Å; I93-R319 HydrophobicContact CG1-CB 4.32Å; Y273-R319 WeakPolarHBondContact OH-CD 3.41Å; Y273-R319 PolarHBondContact OH-NE 3.18Å; Y273-R319 VanDerWaalsContact OH-NE 3.09Å; R319-P331 PolarHBondContact NE-O 2.93Å; R319-P331 PolarHBondContact NH2-O 3.01Å; R319-D332 PolarHBondContact NH2-O 3.22Å; R319-G335 PolarHBondContact NH1-O 2.88Å; R319-G335 PolarHBondContact NH2-O 3.4Å; R319-Y336 CarbonylContact C-O 3.5Å; R319-Y336 WeakPolarHBondContact CA-O 3.48Å; R319-N337 PolarHBondContact NH1-OD1 3.06Å
320L97.1Very high91.9Very high1 Ų128.3 Ų28.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-102.5131.2-177.5-179.375.5000109.2V88 T89 L90 G335 Y336 F346 I448V88-L320 HydrophobicContact CG1-CD1 3.39Å; T89-L320 CarbonylContact O-C 3.59Å; T89-L320 WeakPolarHBondContact O-CA 3.17Å; L90-L320 HydrophobicContact CD2-CD1 3.47Å; L90-L320 VanDerWaalsContact CD2-CD1 3.47Å; L320-G335 CarbonylContact O-C 3.57Å; L320-G335 WeakPolarHBondContact O-CA 3.3Å; L320-Y336 PolarHBondContact N-O 3.3Å; L320-Y336 PolarHBondContact O-N 3.43Å; L320-F346 HydrophobicContact CD2-CB 4.4Å; L320-F346 HydrophobicContact CD2-CD1 3.87Å; L320-F346 HydrophobicContact CD2-CD2 3.51Å; L320-F346 HydrophobicContact CD2-CE1 3.94Å; L320-F346 HydrophobicContact CD2-CE2 3.58Å; L320-F346 HydrophobicContact CD2-CG 3.66Å; L320-F346 HydrophobicContact CD2-CZ 3.8Å; L320-I448 HydrophobicContact CD1-CD1 4.12Å; L320-I448 HydrophobicContact CD1-CG1 4.15Å; L320-I448 HydrophobicContact CD2-CG1 3.99Å
321V97.5Very high92.1Very high1 Ų128 Ų281%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-126.1140.1169.8-1630000109.4T89 P329 P331 N334T89-V321 PolarHBondContact N-O 3.13Å; T89-V321 PolarHBondContact O-N 2.85Å; V321-P329 HydrophobicContact CG1-CB 4.38Å; V321-P329 WeakPolarHBondContact CG1-O 3.17Å; V321-P331 HydrophobicContact CG2-CB 3.72Å; V321-N334 HydrophobicContact CG1-CB 4.03Å
322V96.5Very high92.5Very high50 Ų5028.9 Ų28.930%0.30316%0.16SC..EExtended strand (participates in β ladder)trans-120.8121.6174.5-177.40000108P86 V87 L348 I448P86-V322 HydrophobicContact CB-CG1 3.63Å; P86-V322 HydrophobicContact CG-CG1 3.41Å; P86-V322 VanDerWaalsContact CG-CG1 3.41Å; V87-V322 WeakPolarHBondContact O-CA 3.32Å; V322-L348 HydrophobicContact CG1-CD1 3.96Å; V322-L348 HydrophobicContact CG1-CD2 4.31Å; V322-L348 HydrophobicContact CG2-CD2 4.24Å; V322-I448 HydrophobicContact CG2-CG2 4.48Å
323H95.1Very high92.9Very high15 Ų1532 Ų327%0.06918%0.18CC..EExtended strand (participates in β ladder)trans-149.5171-175.360.2102.8000111.7P86 V87 T89 E327P86-H323 WeakPolarHBondContact CB-O 3.35Å; V87-H323 VanDerWaalsContact CG1-CE1 3.49Å; V87-H323 WeakPolarHBondContact CG1-CE1 3.19Å; V87-H323 WeakPolarHBondContact CG1-NE2 3.32Å; V87-H323 PolarHBondContact N-O 2.83Å; V87-H323 PolarHBondContact O-N 3.29Å; T89-H323 PolarHBondContact OG1-NE2 3.23Å; H323-E327 HydrophobicContact CB-CG 4.24Å; H323-E327 PolarHBondContact CE1-O 3.14Å; H323-E327 PolarHBondContact ND1-O 3.26Å
324S92.8Very high93.1Very high56 Ų5633.7 Ų33.739%0.39219%0.188SC..  trans-75.7160.617460.40000112.1D326 E327S324-D326 VanDerWaalsContact C-N 3.29Å; S324-D326 PolarHBondContact O-N 3.01Å; S324-E327 PolarHBondContact N-OE2 3.3Å; S324-E327 VanDerWaalsContact N-OE2 3.14Å; S324-E327 PolarHBondContact O-N 2.73Å; S324-E327 WeakPolarHBondContact OG-CB 3.33Å; S324-E327 PolarHBondContact OG-OE2 3.45Å
325Q91.4Very high93.7Very high29 Ų2930 Ų3014%0.13618%0.175CC..THydrogen-bonded Turntrans-65.9-29.5-172.9-60.5-172.8-51.100113.9V87 N280 N283V87-Q325 HydrophobicContact CG2-CB 4.12Å; V87-Q325 HydrophobicContact CG2-CG 3.81Å; N280-Q325 PolarHBondContact O-NE2 2.88Å; N283-Q325 WeakPolarHBondContact OD1-CB 3.34Å
326D90.2Very high94.1Very high77 Ų7735.1 Ų35.141%0.41219%0.186SC..THydrogen-bonded Turntrans-94.41.6-178.4-47.2-58.9000113.4N283 S324 Q377 V378N283-D326 PolarHBondContact ND2-OD1 2.81Å; S324-D326 VanDerWaalsContact C-N 3.29Å; S324-D326 PolarHBondContact O-N 3.01Å; D326-Q377 WeakPolarHBondContact O-CA 3.31Å; D326-Q377 WeakPolarHBondContact O-CB 2.98Å; D326-V378 HydrophobicContact CB-CG1 3.68Å; D326-V378 HydrophobicContact CB-CG2 4.47Å; D326-V378 PolarHBondContact O-N 3Å
327E92.9Very high94.3Very high51 Ų5137.5 Ų37.524%0.23820%0.195CC..SBendtrans-104.6138.5-174171.6175.2-150.800112.1H323 S324 Q377 V378 T380H323-E327 HydrophobicContact CB-CG 4.24Å; H323-E327 PolarHBondContact CE1-O 3.14Å; H323-E327 PolarHBondContact ND1-O 3.26Å; S324-E327 PolarHBondContact N-OE2 3.3Å; S324-E327 VanDerWaalsContact N-OE2 3.14Å; S324-E327 PolarHBondContact O-N 2.73Å; S324-E327 WeakPolarHBondContact OG-CB 3.33Å; S324-E327 PolarHBondContact OG-OE2 3.45Å; E327-Q377 VanDerWaalsContact C-OE1 3.22Å; E327-Q377 PolarHBondContact O-OE1 3.41Å; E327-V378 HydrophobicContact CB-CG2 4.33Å; E327-T380 HydrophobicContact CG-CG2 4.21Å
328Y94.5Very high94.3Very high34 Ų3437.6 Ų37.613%0.13320%0.195CC..  trans-71.8135176.4-163.9-86.3000110.8Y268 F330 Y374 Q377Y268-Y328 HydrophobicContact CE2-CE2 4.16Å; Y268-Y328 AromaticContact CE2-CZ 3.83Å; Y268-Y328 WeakPolarHBondContact CE2-OH 3.31Å; Y268-Y328 AromaticContact CZ-CZ 3.87Å; Y268-Y328 WeakPolarHBondContact OH-CE1 3.43Å; Y268-Y328 VanDerWaalsContact OH-CZ 3.31Å; Y268-Y328 PolarHBondContact OH-OH 3.47Å; Y328-F330 AromaticContact CD1-CD1 3.51Å; Y328-F330 HydrophobicContact CD1-CD1 3.51Å; Y328-F330 HydrophobicContact CD1-CD2 4.26Å; Y328-F330 AromaticContact CD1-CE1 3.46Å; Y328-F330 HydrophobicContact CD1-CE1 3.46Å; Y328-F330 VanDerWaalsContact CD1-CE1 3.46Å; Y328-F330 HydrophobicContact CD1-CE2 4.22Å; Y328-F330 AromaticContact CD1-CG 3.92Å; Y328-F330 HydrophobicContact CD1-CG 3.92Å; Y328-F330 AromaticContact CD1-CZ 3.84Å; Y328-F330 HydrophobicContact CD1-CZ 3.84Å; Y328-F330 HydrophobicContact CE1-CD1 4Å; Y328-F330 HydrophobicContact CE1-CE1 4.1Å; Y328-F330 HydrophobicContact CG-CE1 4.15Å; Y328-F330 HydrophobicContact CG-CE2 4.48Å; Y328-F330 HydrophobicContact CG-CZ 4.12Å; Y328-F330 WeakPolarHBondContact O-CD2 3.37Å; Y328-F330 WeakPolarHBondContact O-CE2 3Å; Y328-F330 PolarHBondContact O-N 3.09Å; Y328-Y374 HydrophobicContact CD1-CD1 4.25Å; Y328-Y374 AromaticContact CD1-CE1 3.99Å; Y328-Y374 HydrophobicContact CD1-CE1 3.99Å; Y328-Y374 AromaticContact CD2-CD1 3.44Å; Y328-Y374 HydrophobicContact CD2-CD1 3.44Å; Y328-Y374 VanDerWaalsContact CD2-CD1 3.44Å; Y328-Y374 AromaticContact CD2-CE1 3.9Å; Y328-Y374 HydrophobicContact CD2-CE1 3.9Å; Y328-Y374 HydrophobicContact CD2-CG 4.39Å; Y328-Y374 HydrophobicContact CE1-CD1 4.38Å; Y328-Y374 AromaticContact CE1-CE1 3.84Å; Y328-Y374 HydrophobicContact CE1-CE1 3.84Å; Y328-Y374 AromaticContact CE2-CD1 3.55Å; Y328-Y374 HydrophobicContact CE2-CD1 3.55Å; Y328-Y374 AromaticContact CE2-CE1 3.68Å; Y328-Y374 HydrophobicContact CE2-CE1 3.68Å; Y328-Y374 AromaticContact CG-CD1 3.79Å; Y328-Y374 HydrophobicContact CG-CD1 3.79Å; Y328-Y374 HydrophobicContact CG-CE1 4.02Å; Y328-Y374 AromaticContact CZ-CE1 3.65Å; Y328-Q377 HydrophobicContact CD2-CG 4.2Å
329P95.1Very high94.1Very high4 Ų440.3 Ų40.33%0.02621%0.213CC..  trans-64.2-39.1-170.119.6-31.7000115T89 Y268 V321T89-P329 HydrophobicContact CG2-CB 4.22Å; Y268-P329 HydrophobicContact CD1-CG 4.05Å; Y268-P329 HydrophobicContact CE1-CG 3.73Å; V321-P329 HydrophobicContact CG1-CB 4.38Å; V321-P329 WeakPolarHBondContact CG1-O 3.17Å
330F95.2Very high93.9Very high1 Ų140.4 Ų40.40%0.00422%0.216CC..  trans47.958.9-171.5-54.4-66.3000113.2Y328 D332 T333 N334 Y374 E382Y328-F330 AromaticContact CD1-CD1 3.51Å; Y328-F330 HydrophobicContact CD1-CD1 3.51Å; Y328-F330 HydrophobicContact CD1-CD2 4.26Å; Y328-F330 AromaticContact CD1-CE1 3.46Å; Y328-F330 HydrophobicContact CD1-CE1 3.46Å; Y328-F330 VanDerWaalsContact CD1-CE1 3.46Å; Y328-F330 HydrophobicContact CD1-CE2 4.22Å; Y328-F330 AromaticContact CD1-CG 3.92Å; Y328-F330 HydrophobicContact CD1-CG 3.92Å; Y328-F330 AromaticContact CD1-CZ 3.84Å; Y328-F330 HydrophobicContact CD1-CZ 3.84Å; Y328-F330 HydrophobicContact CE1-CD1 4Å; Y328-F330 HydrophobicContact CE1-CE1 4.1Å; Y328-F330 HydrophobicContact CG-CE1 4.15Å; Y328-F330 HydrophobicContact CG-CE2 4.48Å; Y328-F330 HydrophobicContact CG-CZ 4.12Å; Y328-F330 WeakPolarHBondContact O-CD2 3.37Å; Y328-F330 WeakPolarHBondContact O-CE2 3Å; Y328-F330 PolarHBondContact O-N 3.09Å; F330-D332 PolarHBondContact O-N 3.02Å; F330-D332 VanDerWaalsContact O-N 3.12Å; F330-T333 PolarHBondContact O-N 3.04Å; F330-T333 VanDerWaalsContact O-N 3.1Å; F330-N334 PolarHBondContact O-N 3.22Å; F330-Y374 HydrophobicContact CE1-CE1 4.04Å; F330-Y374 AromaticContact CE1-CE2 3.88Å; F330-Y374 HydrophobicContact CE1-CE2 3.88Å; F330-Y374 AromaticContact CE1-CZ 3.62Å; F330-Y374 HydrophobicContact CZ-CD2 4.36Å; F330-Y374 HydrophobicContact CZ-CE2 4.12Å; F330-E382 HydrophobicContact CD2-CB 3.89Å; F330-E382 HydrophobicContact CE1-CB 4.45Å; F330-E382 HydrophobicContact CE2-CB 3.8Å; F330-E382 HydrophobicContact CG-CB 4.26Å; F330-E382 HydrophobicContact CZ-CB 4.09Å
331P95.3Very high93.3Very high0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-57.8-33-17424-33.4000112.6D270 Y273 R319 V321 G335D270-P331 WeakPolarHBondContact OD2-CD 3.41Å; D270-P331 WeakPolarHBondContact OD2-CG 3.12Å; Y273-P331 HydrophobicContact CD2-CB 3.91Å; Y273-P331 HydrophobicContact CD2-CG 3.77Å; Y273-P331 HydrophobicContact CE2-CB 3.99Å; Y273-P331 HydrophobicContact CE2-CG 4.12Å; R319-P331 PolarHBondContact NE-O 2.93Å; R319-P331 PolarHBondContact NH2-O 3.01Å; V321-P331 HydrophobicContact CG2-CB 3.72Å; P331-G335 WeakPolarHBondContact O-CA 3.25Å; P331-G335 PolarHBondContact O-N 2.9Å
332D92.4Very high92.9Very high54 Ų5446.8 Ų46.829%0.28926%0.256SS..Hα-helixtrans-62.7-41.8177.461.1-42.5000113.2Y273 R319 F330 R386Y273-D332 HydrophobicContact CE2-CB 4.18Å; R319-D332 PolarHBondContact NH2-O 3.22Å; F330-D332 PolarHBondContact O-N 3.02Å; F330-D332 VanDerWaalsContact O-N 3.12Å; D332-R386 IonicContact OD1-CZ 2.7Å; D332-R386 IonicContact OD1-NH1 2.7Å; D332-R386 PolarHBondContact OD1-NH1 3.43Å; D332-R386 IonicContact OD1-NH2 3.46Å; D332-R386 PolarHBondContact OD1-NH2 3.3Å; D332-R386 IonicContact OD2-CZ 2.79Å; D332-R386 IonicContact OD2-NH1 2.96Å; D332-R386 PolarHBondContact OD2-NH1 3.06Å; D332-R386 IonicContact OD2-NH2 3.45Å; D332-R386 PolarHBondContact OD2-NH2 2.96Å
333T92.9Very high92.6Very high69 Ų6949.9 Ų49.942%0.42327%0.268SS..Hα-helixtrans-80.6-53.1173.4-53.90000112.3F330 E382 R386F330-T333 PolarHBondContact O-N 3.04Å; F330-T333 VanDerWaalsContact O-N 3.1Å; T333-E382 HydrophobicContact CG2-CG 4.45Å; T333-E382 PolarHBondContact OG1-OE2 3.42Å; T333-R386 PolarHBondContact OG1-NH2 3.49Å
334N92.8Very high92.6Very high63 Ų6350 Ų5034%0.33727%0.271SS..Hα-helixtrans-95.9-1.6-162.2-65.6-17.2000114.5V321 F330V321-N334 HydrophobicContact CG1-CB 4.03Å; F330-N334 PolarHBondContact O-N 3.22Å
335G94.4Very high92.8Very high12 Ų1250 Ų5012%0.12427%0.271CS..PPolyproline II helixtrans-81.9135.8-172.500000115.4R319 L320 P331R319-G335 PolarHBondContact NH1-O 2.88Å; R319-G335 PolarHBondContact NH2-O 3.4Å; L320-G335 CarbonylContact O-C 3.57Å; L320-G335 WeakPolarHBondContact O-CA 3.3Å; P331-G335 WeakPolarHBondContact O-CA 3.25Å; P331-G335 PolarHBondContact O-N 2.9Å
336Y95.2Very high93Very high154 Ų15450.8 Ų50.860%0.60427%0.274SS*.EExtended strand (participates in β ladder)trans-94.9142.2168.8-63.1-88.7000110.1R319 L320R319-Y336 CarbonylContact C-O 3.5Å; R319-Y336 WeakPolarHBondContact CA-O 3.48Å; L320-Y336 PolarHBondContact N-O 3.3Å; L320-Y336 PolarHBondContact O-N 3.43Å
337N93.5Very high93.2Very high95 Ų9548.6 Ų48.651%0.50827%0.269SS..EExtended strand (participates in β ladder)trans-95.5128178.3-64.2-29.9000110.3I93 R319I93-N337 HydrophobicContact CD1-CB 4.38Å; R319-N337 PolarHBondContact NH1-OD1 3.06Å
338A93.7Very high93.3Very high1 Ų147.6 Ų47.61%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-106116169.800000109.4G317 V318 F346 L444 L446G317-A338 VanDerWaalsContact CA-O 3.29Å; G317-A338 WeakPolarHBondContact CA-O 3.42Å; V318-A338 PolarHBondContact N-O 2.92Å; V318-A338 PolarHBondContact O-N 2.97Å; A338-F346 HydrophobicContact CB-CE2 4.41Å; A338-F346 HydrophobicContact CB-CZ 4.32Å; A338-L444 HydrophobicContact CB-CD1 3.86Å; A338-L446 HydrophobicContact CB-CD2 3.37Å
339P91.8Very high93.2Very high58 Ų5852.2 Ų52.238%0.37728%0.283SS..EExtended strand (participates in β ladder)trans-73.6153-177.130.8-35.9000112.3L342P339-L342 HydrophobicContact CG-CD1 4.01Å
340T90.7Very high93Very high24 Ų2455 Ų5515%0.14730%0.297CS..THydrogen-bonded Turntrans-63.6145.7170.545.20000113.2V304 V306 S316 L342 K441 L444V304-T340 HydrophobicContact CG2-CG2 3.27Å; V306-T340 HydrophobicContact CG2-CG2 4.08Å; S316-T340 PolarHBondContact OG-OG1 3.46Å; T340-L342 VanDerWaalsContact C-N 3.34Å; T340-K441 WeakPolarHBondContact CB-O 3.3Å; T340-K441 VanDerWaalsContact CG2-O 3.3Å; T340-K441 WeakPolarHBondContact CG2-O 3.4Å; T340-K441 PolarHBondContact OG1-O 3.16Å; T340-L444 HydrophobicContact CG2-CD2 4.4Å
341G86.1Confident92.9Very high27 Ų2761.5 Ų61.528%0.27832%0.322SS..THydrogen-bonded Turntrans81.46.3172.200000115.8T440 A443G341-T440 WeakPolarHBondContact CA-O 3.46Å; G341-T440 PolarHBondContact N-O 2.89Å; G341-A443 WeakPolarHBondContact CA-O 3.47Å; G341-A443 PolarHBondContact N-O 3.24Å
342L88.6Confident92.8Very high108 Ų10866.5 Ų66.557%0.56534%0.344SS*.SBendtrans-125.9163.5176.1-64.6176.5000111.2P339 T340 S445P339-L342 HydrophobicContact CG-CD1 4.01Å; T340-L342 VanDerWaalsContact C-N 3.34Å; L342-S445 PolarHBondContact O-N 3.06Å; L342-S445 VanDerWaalsContact O-N 3.17Å
343M91.1Very high92.8Very high115 Ų11569.5 Ų69.557%0.56736%0.358SS*.EExtended strand (participates in β ladder)trans-93.4126164.2-173.5168.187.200108.7S445M343-S445 CarbonylContact C-O 3.55Å; M343-S445 WeakPolarHBondContact CA-O 3.48Å
344S94Very high92.9Very high17 Ų1769.1 Ų69.112%0.11935%0.352CS..EExtended strand (participates in β ladder)trans-114.9111.2179.2-53.40000109.6S445 L446 E447S344-S445 PolarHBondContact N-O 3.38Å; S344-L446 WeakPolarHBondContact O-CA 3.47Å; S344-E447 PolarHBondContact O-N 2.91Å
345S96Very high93Very high57 Ų5773.6 Ų73.640%0.39936%0.364SS..EExtended strand (participates in β ladder)trans-105.7121.2-177.2-52.60000110.1E447S345-E447 CarbonylContact C-O 3.57Å; S345-E447 WeakPolarHBondContact CA-O 3.45Å; S345-E447 PolarHBondContact OG-OE2 3.18Å
346F96.2Very high93Very high46 Ų4674.6 Ų74.620%0.20237%0.366CS..EExtended strand (participates in β ladder)trans-112.7101-174.8-63.5-91.5000110.2L320 A338 L446 E447 I448 Y449L320-F346 HydrophobicContact CD2-CB 4.4Å; L320-F346 HydrophobicContact CD2-CD1 3.87Å; L320-F346 HydrophobicContact CD2-CD2 3.51Å; L320-F346 HydrophobicContact CD2-CE1 3.94Å; L320-F346 HydrophobicContact CD2-CE2 3.58Å; L320-F346 HydrophobicContact CD2-CG 3.66Å; L320-F346 HydrophobicContact CD2-CZ 3.8Å; A338-F346 HydrophobicContact CB-CE2 4.41Å; A338-F346 HydrophobicContact CB-CZ 4.32Å; F346-L446 HydrophobicContact CE2-CD2 4.15Å; F346-E447 PolarHBondContact N-O 3.42Å; F346-I448 HydrophobicContact CB-CG1 4.35Å; F346-I448 HydrophobicContact CD2-CG1 4.38Å; F346-Y449 PolarHBondContact O-N 3.49Å
347G95.4Very high93Very high30 Ų3069.8 Ų69.831%0.30935%0.354SS..EExtended strand (participates in β ladder)trans-73.2124170.100000111.2
348L94.4Very high92.9Very high31 Ų3169 Ų6916%0.16236%0.361CS..EExtended strand (participates in β ladder)trans-103.2137177.7-57.3-175.1000111P86 V322 I448 Y449 F450 E451P86-L348 HydrophobicContact CG-CD1 3.81Å; V322-L348 HydrophobicContact CG1-CD1 3.96Å; V322-L348 HydrophobicContact CG1-CD2 4.31Å; V322-L348 HydrophobicContact CG2-CD2 4.24Å; L348-I448 HydrophobicContact CD1-CG2 3.57Å; L348-I448 HydrophobicContact CD2-CG2 4.33Å; L348-I448 HydrophobicContact CG-CG2 3.96Å; L348-Y449 WeakPolarHBondContact CB-O 3.43Å; L348-Y449 PolarHBondContact N-O 3.44Å; L348-F450 HydrophobicContact CB-CD1 3.87Å; L348-F450 HydrophobicContact CB-CE1 4.28Å; L348-F450 WeakPolarHBondContact O-CA 3.45Å; L348-E451 PolarHBondContact O-N 2.91Å
349R93.2Very high92.9Very high130 Ų13072.9 Ų72.949%0.49139%0.386SS..  trans-126.7115.5167.9178176.3173.4155.4-5.3109.1E456R349-E456 IonicContact CZ-OE2 2.68Å; R349-E456 IonicContact NE-OE2 2.84Å; R349-E456 PolarHBondContact NE-OE2 3.31Å; R349-E456 IonicContact NH2-OE2 3.91Å; R349-E456 PolarHBondContact NH2-OE2 2.97Å
350L91Very high93Very high62 Ų6272.1 Ų72.133%0.32538%0.376SS..  trans-75.8129.5179.2-17862.6000110.8S83 F450 Y455 E456S83-L350 WeakPolarHBondContact OG-CD2 3.44Å; L350-F450 HydrophobicContact CB-CE1 4.35Å; L350-Y455 HydrophobicContact CD2-CD2 4.41Å; L350-Y455 HydrophobicContact CD2-CG 4.1Å; L350-E456 PolarHBondContact O-N 2.81Å
351R92.6Very high93Very high138 Ų13871.8 Ų71.852%0.52138%0.377SS..EExtended strand (participates in β ladder)trans-127.9124.7171.9-72.8-176.7151.1179.2-14.1109E456R351-E456 CarbonylContact C-O 3.6Å; R351-E456 WeakPolarHBondContact CA-O 3.43Å; R351-E456 HydrophobicContact CG-CB 4.29Å; R351-E456 IonicContact CZ-OE1 3.18Å; R351-E456 IonicContact CZ-OE2 3.63Å; R351-E456 VanDerWaalsContact CZ-OE2 3.24Å; R351-E456 IonicContact NE-OE1 2.93Å; R351-E456 IonicContact NE-OE2 3.33Å; R351-E456 PolarHBondContact NE-OE2 3.29Å; R351-E456 VanDerWaalsContact NH2-CD 3.34Å; R351-E456 IonicContact NH2-OE1 3.9Å; R351-E456 PolarHBondContact NH2-OE1 3.16Å; R351-E456 IonicContact NH2-OE2 3.85Å; R351-E456 PolarHBondContact NH2-OE2 2.85Å
352K92.2Very high93.2Very high106 Ų10678.4 Ų78.446%0.46141%0.406SS..EExtended strand (participates in β ladder)trans-105.5132.7173.7-167.8-173.4-175.2-160.90108.5E354 E456 V457 L458K352-E354 HydrophobicContact CD-CG 4.41Å; K352-E354 WeakPolarHBondContact CD-OE1 3.29Å; K352-E354 WeakPolarHBondContact CE-OE1 3.31Å; K352-E354 HydrophobicContact CG-CG 4.5Å; K352-E354 IonicContact NZ-OE1 2.73Å; K352-E354 PolarHBondContact NZ-OE1 3.05Å; K352-E456 PolarHBondContact N-O 2.98Å; K352-V457 HydrophobicContact CB-CG1 4.21Å; K352-V457 HydrophobicContact CB-CG2 4.24Å; K352-V457 HydrophobicContact CD-CG1 4.39Å; K352-V457 CarbonylContact O-C 3.06Å; K352-V457 WeakPolarHBondContact O-CA 3.4Å; K352-L458 PolarHBondContact O-N 3.38Å
353I93.8Very high93.3Very high116 Ų11674.6 Ų74.660%0.59539%0.388SS*.EExtended strand (participates in β ladder)trans-117.4121.3179.5-55.5177.2000107.9R355 L458I353-R355 HydrophobicContact CG2-CG 4.13Å; I353-L458 WeakPolarHBondContact CA-O 3.35Å; I353-L458 HydrophobicContact CG1-CB 4.5Å; I353-L458 HydrophobicContact CG1-CD1 4.45Å
354E94.2Very high93.2Very high62 Ų6274.5 Ų74.529%0.2939%0.389SS..EExtended strand (participates in β ladder)trans-115.1113.7177.7-63179.1177.200107.6K352 V457 L458 K459 E460K352-E354 HydrophobicContact CD-CG 4.41Å; K352-E354 WeakPolarHBondContact CD-OE1 3.29Å; K352-E354 WeakPolarHBondContact CE-OE1 3.31Å; K352-E354 HydrophobicContact CG-CG 4.5Å; K352-E354 IonicContact NZ-OE1 2.73Å; K352-E354 PolarHBondContact NZ-OE1 3.05Å; E354-V457 HydrophobicContact CG-CG1 4.34Å; E354-L458 PolarHBondContact N-O 3.28Å; E354-K459 HydrophobicContact CB-CG 4.26Å; E354-K459 WeakPolarHBondContact OE2-CD 3.36Å; E354-K459 WeakPolarHBondContact OE2-CE 3.31Å; E354-K459 WeakPolarHBondContact OE2-CG 3.31Å; E354-E460 PolarHBondContact O-N 3.41Å
355R94.4Very high92.5Very high156 Ų15680.4 Ų80.459%0.58941%0.414SS*.  trans-107.2154.5-178-71.7-179.7-68.9177.4-1.8110.8I353 C363I353-R355 HydrophobicContact CG2-CG 4.13Å; R355-C363 HydrophobicContact CB-CB 3.89Å
356L94.5Very high91.8Very high34 Ų3486.4 Ų86.418%0.17844%0.436CS..  trans-83.7149176-67.4177000112.2T72 Y360 G361 C363 E460 Q462T72-L356 HydrophobicContact CG2-CD1 3.99Å; L356-Y360 HydrophobicContact CD1-CG 4.12Å; L356-G361 CarbonylContact O-C 3.56Å; L356-C363 VanDerWaalsContact O-CB 3.23Å; L356-C363 WeakPolarHBondContact O-CB 3.43Å; L356-E460 HydrophobicContact CB-CG 4.46Å; L356-E460 HydrophobicContact CD1-CG 4.1Å; L356-E460 HydrophobicContact CG-CB 4.17Å; L356-E460 HydrophobicContact CG-CG 4.03Å; L356-E460 WeakPolarHBondContact CG-O 3.12Å; L356-E460 PolarHBondContact N-OE2 3.09Å; L356-Q462 HydrophobicContact CD1-CG 4.06Å
357P94.6Very high91.1Very high53 Ų5384.9 Ų84.934%0.34443%0.433SS..  trans-78.9177.5169.435.3-36.7000111.6Y360 G361 C363P357-Y360 PolarHBondContact O-N 3.15Å; P357-G361 CarbonylContact C-O 3.48Å; P357-G361 PolarHBondContact O-N 2.65Å; P357-G361 VanDerWaalsContact O-N 3.12Å; P357-C363 WeakPolarHBondContact CA-O 3.37Å; P357-C363 WeakPolarHBondContact CB-O 3.33Å
358A92.8Very high90.6Very high79 Ų7988 Ų8865%0.65344%0.438SS*.THydrogen-bonded Turntrans-59.9143.1176.200000110.6G361A358-G361 WeakPolarHBondContact CA-O 3.4Å; A358-G361 PolarHBondContact N-O 3.02Å
359P94Very high90.3Very high82 Ų8290.9 Ų90.953%0.53246%0.457SS..THydrogen-bonded Turncis-88.63.36.736.8-38.3000115.2F70F70-P359 HydrophobicContact CD1-CB 4.23Å; F70-P359 HydrophobicContact CD1-CG 3.58Å; F70-P359 HydrophobicContact CD2-CB 4.11Å; F70-P359 HydrophobicContact CD2-CG 4.33Å; F70-P359 HydrophobicContact CE1-CB 4.37Å; F70-P359 HydrophobicContact CE1-CG 3.61Å; F70-P359 HydrophobicContact CE2-CB 4.26Å; F70-P359 HydrophobicContact CE2-CG 4.36Å; F70-P359 HydrophobicContact CG-CB 4.1Å; F70-P359 HydrophobicContact CG-CG 3.96Å; F70-P359 HydrophobicContact CZ-CB 4.38Å; F70-P359 HydrophobicContact CZ-CG 4.02Å
360Y93.6Very high90Very high41 Ų4194.1 Ų94.116%0.16148%0.478CS..THydrogen-bonded Turntrans-84.1-24.1-175.9-69-83.7000113.4F70 T72 L356 P357 Q462F70-Y360 HydrophobicContact CB-CD1 3.74Å; F70-Y360 HydrophobicContact CB-CE1 3.91Å; F70-Y360 HydrophobicContact CB-CG 4.31Å; F70-Y360 HydrophobicContact CD1-CD1 4.38Å; F70-Y360 AromaticContact CD1-CE1 3.89Å; F70-Y360 HydrophobicContact CD1-CE1 3.89Å; F70-Y360 HydrophobicContact CD1-CE2 4.17Å; F70-Y360 AromaticContact CD1-CZ 3.77Å; F70-Y360 HydrophobicContact CG-CE1 4.42Å; F70-Y360 WeakPolarHBondContact O-CD1 3.5Å; T72-Y360 HydrophobicContact CG2-CD1 4.06Å; T72-Y360 HydrophobicContact CG2-CG 4.42Å; T72-Y360 WeakPolarHBondContact CG2-O 3.37Å; L356-Y360 HydrophobicContact CD1-CG 4.12Å; P357-Y360 PolarHBondContact O-N 3.15Å; Y360-Q462 HydrophobicContact CD1-CB 4.39Å; Y360-Q462 HydrophobicContact CD1-CG 3.95Å; Y360-Q462 HydrophobicContact CD2-CG 4.27Å; Y360-Q462 HydrophobicContact CE1-CB 3.91Å; Y360-Q462 HydrophobicContact CE1-CG 3.62Å; Y360-Q462 HydrophobicContact CE2-CG 3.97Å; Y360-Q462 HydrophobicContact CG-CG 4.27Å
361G90.9Very high89.9Confident17 Ų1796 Ų9618%0.17549%0.489CS..  trans-163.2178174.400000112.1L356 P357 A358 C363L356-G361 CarbonylContact O-C 3.56Å; P357-G361 CarbonylContact C-O 3.48Å; P357-G361 PolarHBondContact O-N 2.65Å; P357-G361 VanDerWaalsContact O-N 3.12Å; A358-G361 WeakPolarHBondContact CA-O 3.4Å; A358-G361 PolarHBondContact N-O 3.02Å; G361-C363 VanDerWaalsContact C-N 3.35Å; G361-C363 PolarHBondContact O-N 3.35Å
362D90.1Very high89.9Confident167 Ų16789.8 Ų89.889%0.89347%0.465SS*.  trans-95.122.1-174.7-56.6-48.7000113.5
363C90.5Very high90Very high27 Ų2785.6 Ų85.618%0.18245%0.447CS..  trans-80.4131.1-176.5-158.60000112.1R355 L356 P357 G361R355-C363 HydrophobicContact CB-CB 3.89Å; L356-C363 VanDerWaalsContact O-CB 3.23Å; L356-C363 WeakPolarHBondContact O-CB 3.43Å; P357-C363 WeakPolarHBondContact CA-O 3.37Å; P357-C363 WeakPolarHBondContact CB-O 3.33Å; G361-C363 VanDerWaalsContact C-N 3.35Å; G361-C363 PolarHBondContact O-N 3.35Å
364I88.8Confident90Very high113 Ų11380.5 Ų80.558%0.57942%0.421SS*.  trans-112.9115.5174.7-51.4175.8000107.9
365H79.5Confident89.7Confident142 Ų14282.9 Ų82.966%0.65743%0.43SS*.THydrogen-bonded Turntrans-70.7-36.2178.7-67.4-64.5000112.3
366E81.1Confident89.4Confident183 Ų18382.5 Ų82.586%0.85544%0.44SS*.THydrogen-bonded Turntrans-111.156.5-179.9-63.1-174.6176.400111.4K368E366-K368 PolarHBondContact O-N 3.21Å
367G81Confident89.2Confident14 Ų1483.3 Ų83.314%0.14444%0.443CS..  trans-70.44.2-178.400000115.8T369 Y379G367-T369 PolarHBondContact O-N 3.38Å; G367-Y379 WeakPolarHBondContact O-CD2 3.32Å; G367-Y379 WeakPolarHBondContact O-CE2 3.21Å
368K86Confident89.1Confident95 Ų9583.9 Ų83.941%0.41345%0.445SS..  trans-89.296.9-170.1-171.3170.7-179.4171.40111.3E366 Y372 K375 Q377E366-K368 PolarHBondContact O-N 3.21Å; K368-Y372 HydrophobicContact CD-CD1 4.21Å; K368-Y372 HydrophobicContact CG-CD1 3.84Å; K368-Y372 HydrophobicContact CG-CG 4.09Å; K368-K375 WeakPolarHBondContact CE-O 3.44Å; K368-K375 PolarHBondContact NZ-O 3.44Å; K368-Q377 PolarHBondContact NZ-O 3.5Å
369T87.5Confident89.1Confident92 Ų9283.9 Ų83.956%0.56443%0.429SS*.  trans-75.9165.8173.157.80000112.1G367 D371 Y372G367-T369 PolarHBondContact O-N 3.38Å; T369-D371 PolarHBondContact O-N 2.9Å; T369-Y372 WeakPolarHBondContact O-CB 3.48Å; T369-Y372 PolarHBondContact O-N 3.48Å; T369-Y372 VanDerWaalsContact O-N 3.09Å
370E87.1Confident89Confident197 Ų19781 Ų8192%0.92141%0.409SS*.THydrogen-bonded Turntrans-58.7-32.9175.6-60.9-173.7162.600112.8Y372E370-Y372 PolarHBondContact O-N 2.94Å
371D88.4Confident88.9Confident103 Ų10384.1 Ų84.155%0.55143%0.429SS*.THydrogen-bonded Turntrans-76-1.5178.1-69.1-37000114.3T369 I373 M391T369-D371 PolarHBondContact O-N 2.9Å; D371-I373 PolarHBondContact O-N 3.21Å; D371-M391 HydrophobicContact CB-CG 3.94Å; D371-M391 HydrophobicContact CB-SD 4.45Å
372Y93.5Very high89Confident7 Ų786 Ų863%0.02743%0.433CS..  trans-71110.2-177.6-172.1-104.3000111.5K368 T369 E370 Y374 V378 Y379 T380 G383 S387K368-Y372 HydrophobicContact CD-CD1 4.21Å; K368-Y372 HydrophobicContact CG-CD1 3.84Å; K368-Y372 HydrophobicContact CG-CG 4.09Å; T369-Y372 WeakPolarHBondContact O-CB 3.48Å; T369-Y372 PolarHBondContact O-N 3.48Å; T369-Y372 VanDerWaalsContact O-N 3.09Å; E370-Y372 PolarHBondContact O-N 2.94Å; Y372-Y374 HydrophobicContact CE1-CD2 4.49Å; Y372-Y374 WeakPolarHBondContact CE1-O 3.49Å; Y372-Y374 PolarHBondContact O-N 3.19Å; Y372-Y374 VanDerWaalsContact O-N 3.14Å; Y372-V378 PolarHBondContact OH-O 2.94Å; Y372-Y379 HydrophobicContact CD2-CD2 4.3Å; Y372-Y379 AromaticContact CE2-CD2 3.92Å; Y372-Y379 HydrophobicContact CE2-CD2 3.92Å; Y372-Y379 HydrophobicContact CE2-CE2 4.45Å; Y372-T380 PolarHBondContact OH-N 3.3Å; Y372-G383 VanDerWaalsContact CE2-C 3.47Å; Y372-S387 WeakPolarHBondContact CD2-OG 3.41Å
373I93.5Very high89.2Confident18 Ų1878 Ų789%0.09239%0.39CS..SBendtrans-70.6-15.4-167.569.6-173.2000114.4D371 K375 S387 Q390 M391 F404 P405D371-I373 PolarHBondContact O-N 3.21Å; I373-K375 PolarHBondContact O-N 2.99Å; I373-S387 PolarHBondContact N-OG 3.2Å; I373-S387 VanDerWaalsContact N-OG 3.15Å; I373-Q390 HydrophobicContact CD1-CB 4.13Å; I373-Q390 HydrophobicContact CD1-CG 4.29Å; I373-Q390 HydrophobicContact CG2-CG 4.42Å; I373-M391 HydrophobicContact CG2-CE 3.24Å; I373-F404 HydrophobicContact CD1-CB 3.7Å; I373-P405 HydrophobicContact CB-CB 4.31Å; I373-P405 HydrophobicContact CG1-CB 4.46Å
374Y93.1Very high89.3Confident8 Ų878.8 Ų78.83%0.03140%0.395CS..  trans-96.460.6177.8-54.3-78.7000110.5Y328 F330 Y372 D376 Q377 R386 P405Y328-Y374 HydrophobicContact CD1-CD1 4.25Å; Y328-Y374 AromaticContact CD1-CE1 3.99Å; Y328-Y374 HydrophobicContact CD1-CE1 3.99Å; Y328-Y374 AromaticContact CD2-CD1 3.44Å; Y328-Y374 HydrophobicContact CD2-CD1 3.44Å; Y328-Y374 VanDerWaalsContact CD2-CD1 3.44Å; Y328-Y374 AromaticContact CD2-CE1 3.9Å; Y328-Y374 HydrophobicContact CD2-CE1 3.9Å; Y328-Y374 HydrophobicContact CD2-CG 4.39Å; Y328-Y374 HydrophobicContact CE1-CD1 4.38Å; Y328-Y374 AromaticContact CE1-CE1 3.84Å; Y328-Y374 HydrophobicContact CE1-CE1 3.84Å; Y328-Y374 AromaticContact CE2-CD1 3.55Å; Y328-Y374 HydrophobicContact CE2-CD1 3.55Å; Y328-Y374 AromaticContact CE2-CE1 3.68Å; Y328-Y374 HydrophobicContact CE2-CE1 3.68Å; Y328-Y374 AromaticContact CG-CD1 3.79Å; Y328-Y374 HydrophobicContact CG-CD1 3.79Å; Y328-Y374 HydrophobicContact CG-CE1 4.02Å; Y328-Y374 AromaticContact CZ-CE1 3.65Å; F330-Y374 HydrophobicContact CE1-CE1 4.04Å; F330-Y374 AromaticContact CE1-CE2 3.88Å; F330-Y374 HydrophobicContact CE1-CE2 3.88Å; F330-Y374 AromaticContact CE1-CZ 3.62Å; F330-Y374 HydrophobicContact CZ-CD2 4.36Å; F330-Y374 HydrophobicContact CZ-CE2 4.12Å; Y372-Y374 HydrophobicContact CE1-CD2 4.49Å; Y372-Y374 WeakPolarHBondContact CE1-O 3.49Å; Y372-Y374 PolarHBondContact O-N 3.19Å; Y372-Y374 VanDerWaalsContact O-N 3.14Å; Y374-D376 PolarHBondContact O-N 3.24Å; Y374-Q377 PolarHBondContact O-N 2.87Å; Y374-R386 HydrophobicContact CE2-CB 4.08Å; Y374-R386 WeakPolarHBondContact OH-CD 3.49Å; Y374-P405 HydrophobicContact CD1-CG 3.97Å; Y374-P405 VanDerWaalsContact CE1-CD 3.49Å; Y374-P405 HydrophobicContact CE1-CG 3.65Å
375K88.6Confident89.5Confident112 Ų11280.9 Ų80.949%0.48740%0.397SS..THydrogen-bonded Turntrans-50.5-33.9-170.2-70.4-171.6177.4-173.10115.2K368 I373 E408K368-K375 WeakPolarHBondContact CE-O 3.44Å; K368-K375 PolarHBondContact NZ-O 3.44Å; I373-K375 PolarHBondContact O-N 2.99Å; K375-E408 IonicContact NZ-OE1 3.08Å; K375-E408 PolarHBondContact NZ-OE1 3.35Å
376D88.4Confident90.3Very high149 Ų14975.2 Ų75.280%0.79737%0.37SS*.THydrogen-bonded Turntrans-95.67.1-175.7-55-46.8000114.2Y374Y374-D376 PolarHBondContact O-N 3.24Å
377Q90.6Very high90.9Very high50 Ų5066.9 Ų66.923%0.23433%0.332CS..SBendtrans-120.9162.9-172.1-55.7-68.8-9300111.6D326 E327 Y328 K368 Y374D326-Q377 WeakPolarHBondContact O-CA 3.31Å; D326-Q377 WeakPolarHBondContact O-CB 2.98Å; E327-Q377 VanDerWaalsContact C-OE1 3.22Å; E327-Q377 PolarHBondContact O-OE1 3.41Å; Y328-Q377 HydrophobicContact CD2-CG 4.2Å; K368-Q377 PolarHBondContact NZ-O 3.5Å; Y374-Q377 PolarHBondContact O-N 2.87Å
378V91.7Very high91.5Very high66 Ų6669.9 Ų69.940%0.435%0.349SS..  trans-67.1157.6173-64.20000111.6D326 E327 Y372 T380D326-V378 HydrophobicContact CB-CG1 3.68Å; D326-V378 HydrophobicContact CB-CG2 4.47Å; D326-V378 PolarHBondContact O-N 3Å; E327-V378 HydrophobicContact CB-CG2 4.33Å; Y372-V378 PolarHBondContact OH-O 2.94Å; V378-T380 HydrophobicContact CG2-CG2 4.29Å; V378-T380 PolarHBondContact O-N 2.91Å
379Y92.9Very high91.9Very high79 Ų7970.1 Ų70.131%0.3135%0.351SS..  trans-67.6127.3174.2175.2-101.2000110.8G367 Y372 C384G367-Y379 WeakPolarHBondContact O-CD2 3.32Å; G367-Y379 WeakPolarHBondContact O-CE2 3.21Å; Y372-Y379 HydrophobicContact CD2-CD2 4.3Å; Y372-Y379 AromaticContact CE2-CD2 3.92Å; Y372-Y379 HydrophobicContact CE2-CD2 3.92Å; Y372-Y379 HydrophobicContact CE2-CE2 4.45Å; Y379-C384 HydrophobicContact CE2-CB 3.65Å; Y379-C384 PolarHBondContact OH-SG 3.14Å
380T92.2Very high92.2Very high20 Ų2065.8 Ų65.812%0.12332%0.324CS..  trans-134.5159.3174.266.20000110.9E327 Y372 V378 G383 C384E327-T380 HydrophobicContact CG-CG2 4.21Å; Y372-T380 PolarHBondContact OH-N 3.3Å; V378-T380 HydrophobicContact CG2-CG2 4.29Å; V378-T380 PolarHBondContact O-N 2.91Å; T380-G383 PolarHBondContact O-N 3Å; T380-G383 PolarHBondContact OG1-N 3.07Å; T380-G383 VanDerWaalsContact OG1-N 3.15Å; T380-C384 WeakPolarHBondContact O-CB 3.29Å; T380-C384 PolarHBondContact O-N 2.63Å
381L91.1Very high92.4Very high108 Ų10858.1 Ų58.157%0.56529%0.289SS*.Hα-helixtrans-62.8-44.7179.9-175.362.5000112.2C384 Y385L381-C384 WeakPolarHBondContact O-CB 3.44Å; L381-C384 PolarHBondContact O-N 2.75Å; L381-Y385 HydrophobicContact CD1-CD2 4.05Å; L381-Y385 HydrophobicContact CD1-CE2 3.5Å; L381-Y385 HydrophobicContact CD2-CE2 4.15Å; L381-Y385 HydrophobicContact CG-CD2 3.95Å; L381-Y385 HydrophobicContact CG-CE2 3.6Å; L381-Y385 WeakPolarHBondContact O-CD2 3.15Å; L381-Y385 PolarHBondContact O-N 3.38Å
382E93.4Very high92.6Very high56 Ų5658 Ų5826%0.26229%0.285SS..Hα-helixtrans-60.9-43.9174.2-76.1-64.5110.100111.7F330 T333 C384 Y385 R386F330-E382 HydrophobicContact CD2-CB 3.89Å; F330-E382 HydrophobicContact CE1-CB 4.45Å; F330-E382 HydrophobicContact CE2-CB 3.8Å; F330-E382 HydrophobicContact CG-CB 4.26Å; F330-E382 HydrophobicContact CZ-CB 4.09Å; T333-E382 HydrophobicContact CG2-CG 4.45Å; T333-E382 PolarHBondContact OG1-OE2 3.42Å; E382-C384 VanDerWaalsContact C-N 3.29Å; E382-C384 PolarHBondContact O-N 3.38Å; E382-Y385 PolarHBondContact O-N 3.26Å; E382-R386 WeakPolarHBondContact O-CB 3.43Å; E382-R386 VanDerWaalsContact O-CG 3.26Å; E382-R386 WeakPolarHBondContact O-CG 3.33Å; E382-R386 PolarHBondContact O-N 3.21Å; E382-R386 IonicContact OE2-NE 2.77Å; E382-R386 IonicContact OE2-NH2 2.89Å
383G93.6Very high92.5Very high0 Ų058.5 Ų58.50%029%0.288CS..Hα-helixtrans-60.5-38.7175.600000112.5Y372 T380 S387Y372-G383 VanDerWaalsContact CE2-C 3.47Å; T380-G383 PolarHBondContact O-N 3Å; T380-G383 PolarHBondContact OG1-N 3.07Å; T380-G383 VanDerWaalsContact OG1-N 3.15Å; G383-S387 VanDerWaalsContact O-CB 3.31Å; G383-S387 WeakPolarHBondContact O-CB 3.31Å; G383-S387 PolarHBondContact O-N 3.45Å; G383-S387 PolarHBondContact O-OG 3.48Å
384C93.6Very high92.4Very high43 Ų4358.1 Ų58.129%0.29129%0.286SS..Hα-helixtrans-65.8-51.6177.3-172.10000112Y379 T380 L381 E382 R386 S387 C388Y379-C384 HydrophobicContact CE2-CB 3.65Å; Y379-C384 PolarHBondContact OH-SG 3.14Å; T380-C384 WeakPolarHBondContact O-CB 3.29Å; T380-C384 PolarHBondContact O-N 2.63Å; L381-C384 WeakPolarHBondContact O-CB 3.44Å; L381-C384 PolarHBondContact O-N 2.75Å; E382-C384 VanDerWaalsContact C-N 3.29Å; E382-C384 PolarHBondContact O-N 3.38Å; C384-R386 VanDerWaalsContact C-N 3.35Å; C384-R386 PolarHBondContact O-N 3.14Å; C384-S387 PolarHBondContact O-N 2.93Å; C384-C388 WeakPolarHBondContact O-CB 3.48Å; C384-C388 PolarHBondContact O-N 2.94Å
385Y93.7Very high92.4Very high157 Ų15765 Ų6562%0.61632%0.316SS*.Hα-helixtrans-60.8-43178.8-77.3-57.7000112.2L381 E382 C388 F389L381-Y385 HydrophobicContact CD1-CD2 4.05Å; L381-Y385 HydrophobicContact CD1-CE2 3.5Å; L381-Y385 HydrophobicContact CD2-CE2 4.15Å; L381-Y385 HydrophobicContact CG-CD2 3.95Å; L381-Y385 HydrophobicContact CG-CE2 3.6Å; L381-Y385 WeakPolarHBondContact O-CD2 3.15Å; L381-Y385 PolarHBondContact O-N 3.38Å; E382-Y385 PolarHBondContact O-N 3.26Å; Y385-C388 PolarHBondContact O-N 3.48Å; Y385-F389 WeakPolarHBondContact O-CB 3.47Å; Y385-F389 PolarHBondContact O-N 2.97Å
386R94.3Very high92.5Very high23 Ų2363.5 Ų63.59%0.08733%0.325CS..Hα-helixtrans-66-39.6177.3-68.2172.5-176.1-126.6-4.6112D332 T333 Y374 E382 C384 Q390 F404D332-R386 IonicContact OD1-CZ 2.7Å; D332-R386 IonicContact OD1-NH1 2.7Å; D332-R386 PolarHBondContact OD1-NH1 3.43Å; D332-R386 IonicContact OD1-NH2 3.46Å; D332-R386 PolarHBondContact OD1-NH2 3.3Å; D332-R386 IonicContact OD2-CZ 2.79Å; D332-R386 IonicContact OD2-NH1 2.96Å; D332-R386 PolarHBondContact OD2-NH1 3.06Å; D332-R386 IonicContact OD2-NH2 3.45Å; D332-R386 PolarHBondContact OD2-NH2 2.96Å; T333-R386 PolarHBondContact OG1-NH2 3.49Å; Y374-R386 HydrophobicContact CE2-CB 4.08Å; Y374-R386 WeakPolarHBondContact OH-CD 3.49Å; E382-R386 WeakPolarHBondContact O-CB 3.43Å; E382-R386 VanDerWaalsContact O-CG 3.26Å; E382-R386 WeakPolarHBondContact O-CG 3.33Å; E382-R386 PolarHBondContact O-N 3.21Å; E382-R386 IonicContact OE2-NE 2.77Å; E382-R386 IonicContact OE2-NH2 2.89Å; C384-R386 VanDerWaalsContact C-N 3.35Å; C384-R386 PolarHBondContact O-N 3.14Å; R386-Q390 VanDerWaalsContact O-CB 3.24Å; R386-Q390 WeakPolarHBondContact O-CB 3.08Å; R386-Q390 PolarHBondContact O-N 3.47Å; R386-F404 HydrophobicContact CB-CD1 4.1Å; R386-F404 HydrophobicContact CB-CE1 4.21Å; R386-F404 HydrophobicContact CB-CG 4.43Å; R386-F404 HydrophobicContact CG-CD1 3.98Å; R386-F404 HydrophobicContact CG-CE1 3.65Å; R386-F404 HydrophobicContact CG-CZ 4.13Å
387S94.6Very high92.5Very high7 Ų758.6 Ų58.65%0.04930%0.302CS..Hα-helixtrans-62.5-47.7174.2-58.30000111.8Y372 I373 G383 C384 Q390 M391Y372-S387 WeakPolarHBondContact CD2-OG 3.41Å; I373-S387 PolarHBondContact N-OG 3.2Å; I373-S387 VanDerWaalsContact N-OG 3.15Å; G383-S387 VanDerWaalsContact O-CB 3.31Å; G383-S387 WeakPolarHBondContact O-CB 3.31Å; G383-S387 PolarHBondContact O-N 3.45Å; G383-S387 PolarHBondContact O-OG 3.48Å; C384-S387 PolarHBondContact O-N 2.93Å; S387-Q390 PolarHBondContact O-N 3.32Å; S387-M391 WeakPolarHBondContact O-CG 3.43Å; S387-M391 PolarHBondContact O-N 3.39Å
388C94.4Very high92.5Very high77 Ų7758.1 Ų58.152%0.5231%0.31SS..Hα-helixtrans-59.1-49.5177.9179.40000112C384 Y385 Q390 M391 E392C384-C388 WeakPolarHBondContact O-CB 3.48Å; C384-C388 PolarHBondContact O-N 2.94Å; Y385-C388 PolarHBondContact O-N 3.48Å; C388-Q390 VanDerWaalsContact C-N 3.34Å; C388-Q390 PolarHBondContact O-N 3Å; C388-M391 PolarHBondContact O-N 2.89Å; C388-E392 PolarHBondContact O-N 3.42Å
389F93.3Very high92.4Very high101 Ų10155 Ų5544%0.44329%0.291SS..Hα-helixtrans-58.5-44.9175.5176.6-92000112Y385 L393 D401 F404Y385-F389 WeakPolarHBondContact O-CB 3.47Å; Y385-F389 PolarHBondContact O-N 2.97Å; F389-L393 HydrophobicContact CE1-CD2 4.01Å; F389-L393 HydrophobicContact CZ-CD2 4.46Å; F389-L393 VanDerWaalsContact O-CB 3.24Å; F389-L393 WeakPolarHBondContact O-CB 3.38Å; F389-L393 PolarHBondContact O-N 2.93Å; F389-D401 HydrophobicContact CE1-CB 4.31Å; F389-F404 HydrophobicContact CD1-CD2 4.18Å; F389-F404 AromaticContact CD1-CE2 3.62Å; F389-F404 HydrophobicContact CD1-CE2 3.62Å; F389-F404 AromaticContact CE1-CE2 3.9Å; F389-F404 HydrophobicContact CE1-CE2 3.9Å
390Q93.5Very high92.3Very high0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-65.4-39.5-179.1-169.374.6-43.200112I373 R386 S387 C388 I394 D401 F404 P405 V406I373-Q390 HydrophobicContact CD1-CB 4.13Å; I373-Q390 HydrophobicContact CD1-CG 4.29Å; I373-Q390 HydrophobicContact CG2-CG 4.42Å; R386-Q390 VanDerWaalsContact O-CB 3.24Å; R386-Q390 WeakPolarHBondContact O-CB 3.08Å; R386-Q390 PolarHBondContact O-N 3.47Å; S387-Q390 PolarHBondContact O-N 3.32Å; C388-Q390 VanDerWaalsContact C-N 3.34Å; C388-Q390 PolarHBondContact O-N 3Å; Q390-I394 HydrophobicContact CG-CD1 4.01Å; Q390-I394 WeakPolarHBondContact O-CB 3.33Å; Q390-I394 WeakPolarHBondContact O-CD1 3.45Å; Q390-I394 WeakPolarHBondContact O-CG1 3.34Å; Q390-I394 PolarHBondContact O-N 3.43Å; Q390-D401 PolarHBondContact NE2-O 3.03Å; Q390-D401 VanDerWaalsContact NE2-O 3.09Å; Q390-F404 PolarHBondContact NE2-O 2.85Å; Q390-P405 PolarHBondContact NE2-O 3.25Å; Q390-V406 VanDerWaalsContact NE2-CG2 3.33Å
391M92.7Very high92.3Very high37 Ų3750.7 Ų50.718%0.18227%0.272CS..Hα-helixtrans-68.3-46.3176.3-70.3-41.3115.400112.7D371 I373 S387 C388 L393 I394 K395 P407D371-M391 HydrophobicContact CB-CG 3.94Å; D371-M391 HydrophobicContact CB-SD 4.45Å; I373-M391 HydrophobicContact CG2-CE 3.24Å; S387-M391 WeakPolarHBondContact O-CG 3.43Å; S387-M391 PolarHBondContact O-N 3.39Å; C388-M391 PolarHBondContact O-N 2.89Å; M391-L393 VanDerWaalsContact C-N 3.27Å; M391-L393 PolarHBondContact O-N 3.19Å; M391-I394 HydrophobicContact CE-CD1 4.32Å; M391-I394 PolarHBondContact O-N 2.89Å; M391-K395 VanDerWaalsContact O-CB 3.23Å; M391-K395 WeakPolarHBondContact O-CB 3.47Å; M391-K395 PolarHBondContact O-N 3.41Å; M391-P407 HydrophobicContact CE-CG 3.63Å; M391-P407 HydrophobicContact SD-CG 4.27Å
392E92.7Very high92.3Very high100 Ų10045.7 Ų45.747%0.46725%0.247SC..Hα-helixtrans-63.8-34.6176.9-76.2-62.8131.200111.7C388 K395 A396C388-E392 PolarHBondContact O-N 3.42Å; E392-K395 PolarHBondContact O-N 3.04Å; E392-K395 WeakPolarHBondContact OE1-CD 3.44Å; E392-K395 IonicContact OE1-NZ 3.77Å; E392-K395 PolarHBondContact OE1-NZ 2.93Å; E392-K395 IonicContact OE2-NZ 2.63Å; E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.48Å; E392-A396 PolarHBondContact O-N 3.24Å
393L90.5Very high92.2Very high18 Ų1847.8 Ų47.89%0.09425%0.252CS..Hα-helixtrans-65.3-48172.3-178.763.5000112.4F389 M391 K395 A396 C397 D401 T421F389-L393 HydrophobicContact CE1-CD2 4.01Å; F389-L393 HydrophobicContact CZ-CD2 4.46Å; F389-L393 VanDerWaalsContact O-CB 3.24Å; F389-L393 WeakPolarHBondContact O-CB 3.38Å; F389-L393 PolarHBondContact O-N 2.93Å; M391-L393 VanDerWaalsContact C-N 3.27Å; M391-L393 PolarHBondContact O-N 3.19Å; L393-K395 VanDerWaalsContact C-N 3.26Å; L393-K395 PolarHBondContact O-N 3.28Å; L393-A396 PolarHBondContact O-N 3.23Å; L393-C397 HydrophobicContact CD1-CB 4.22Å; L393-C397 WeakPolarHBondContact O-CB 3.44Å; L393-C397 PolarHBondContact O-N 2.97Å; L393-D401 HydrophobicContact CD2-CB 3.66Å; L393-T421 HydrophobicContact CD1-CG2 3.67Å
394I92Very high92.1Very high9 Ų948.7 Ų48.75%0.04626%0.256CS..Hα-helixtrans-61.5-36.9177.4-72.4166.3000111.1Q390 M391 G398 C399 P407 R410Q390-I394 HydrophobicContact CG-CD1 4.01Å; Q390-I394 WeakPolarHBondContact O-CB 3.33Å; Q390-I394 WeakPolarHBondContact O-CD1 3.45Å; Q390-I394 WeakPolarHBondContact O-CG1 3.34Å; Q390-I394 PolarHBondContact O-N 3.43Å; M391-I394 HydrophobicContact CE-CD1 4.32Å; M391-I394 PolarHBondContact O-N 2.89Å; I394-G398 WeakPolarHBondContact O-CA 3.49Å; I394-G398 PolarHBondContact O-N 2.97Å; I394-C399 WeakPolarHBondContact CA-O 3.38Å; I394-P407 HydrophobicContact CD1-CG 4.32Å; I394-R410 HydrophobicContact CG2-CG 4.3Å; I394-R410 VanDerWaalsContact CG2-CZ 3.46Å
395K91.6Very high92.1Very high153 Ų15348.8 Ų48.867%0.66526%0.256SS*.Hα-helixtrans-70.2-41176.6179.5-179.7170.2-169.30112.7M391 E392 L393M391-K395 VanDerWaalsContact O-CB 3.23Å; M391-K395 WeakPolarHBondContact O-CB 3.47Å; M391-K395 PolarHBondContact O-N 3.41Å; E392-K395 PolarHBondContact O-N 3.04Å; E392-K395 WeakPolarHBondContact OE1-CD 3.44Å; E392-K395 IonicContact OE1-NZ 3.77Å; E392-K395 PolarHBondContact OE1-NZ 2.93Å; E392-K395 IonicContact OE2-NZ 2.63Å; L393-K395 VanDerWaalsContact C-N 3.26Å; L393-K395 PolarHBondContact O-N 3.28Å
396A90.6Very high91.9Very high81 Ų8142.8 Ų42.867%0.66924%0.236SC*.Hα-helixtrans-82.4-30.9-178.300000114.2E392 L393E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.48Å; E392-A396 PolarHBondContact O-N 3.24Å; L393-A396 PolarHBondContact O-N 3.23Å
397C89.9Confident91.7Very high46 Ų4643.8 Ų43.831%0.31125%0.245SC..Hα-helixtrans-122.3-14.6-171.6-67.80000114.7L393 C399 T421L393-C397 HydrophobicContact CD1-CB 4.22Å; L393-C397 WeakPolarHBondContact O-CB 3.44Å; L393-C397 PolarHBondContact O-N 2.97Å; C397-C399 VanDerWaalsContact C-N 3.31Å; C397-C399 PolarHBondContact O-N 3.39Å; C397-T421 HydrophobicContact CB-CG2 4.43Å
398G89.4Confident91.2Very high39 Ų3951.2 Ų51.240%0.40228%0.279SS..SBendtrans85.4-7.8179.200000115.5I394I394-G398 WeakPolarHBondContact O-CA 3.49Å; I394-G398 PolarHBondContact O-N 2.97Å
399C91.1Very high90.9Very high2 Ų251.8 Ų51.81%0.01430%0.298CS..SBendtrans-132.9159.5-178.661.10000110.7I394 C397 C413I394-C399 WeakPolarHBondContact CA-O 3.38Å; C397-C399 VanDerWaalsContact C-N 3.31Å; C397-C399 PolarHBondContact O-N 3.39Å; C399-C413 HydrophobicContact CB-CB 3.91Å; C399-C413 WeakPolarHBondContact CB-SG 3.21Å; C399-C413 PolarHBondContact O-SG 2.94Å; C399-C413 WeakPolarHBondContact SG-CA 3.37Å; C399-C413 WeakPolarHBondContact SG-CB 3.27Å; C399-C413 CovalentContact SG-SG 2.04Å; C399-C413 PolarHBondContact SG-SG 3.09Å
400G90.9Very high90.6Very high0 Ų053.3 Ų53.30%030%0.301CS..BIsolated β-bridgetrans-103.9157.5178.300000113.9R411 H412 C413G400-R411 PolarHBondContact N-O 2.93Å; G400-H412 CarbonylContact O-C 3.56Å; G400-H412 VanDerWaalsContact O-CA 3.28Å; G400-H412 WeakPolarHBondContact O-CA 3.23Å; G400-C413 PolarHBondContact O-N 3.4Å; G400-C413 PolarHBondContact O-SG 3.38Å
401D91.8Very high90.5Very high7 Ų758.9 Ų58.94%0.03732%0.322CS..  trans-69.8134.2177.8-163.4-74.2000110.9F389 Q390 L393 R403 F404 H412F389-D401 HydrophobicContact CE1-CB 4.31Å; Q390-D401 PolarHBondContact NE2-O 3.03Å; Q390-D401 VanDerWaalsContact NE2-O 3.09Å; L393-D401 HydrophobicContact CD2-CB 3.66Å; D401-R403 PolarHBondContact O-N 3.3Å; D401-R403 VanDerWaalsContact OD1-CB 3.23Å; D401-R403 WeakPolarHBondContact OD1-CB 3.37Å; D401-R403 VanDerWaalsContact OD1-CG 3.3Å; D401-R403 WeakPolarHBondContact OD1-CG 3.42Å; D401-R403 IonicContact OD1-CZ 3.54Å; D401-R403 PolarHBondContact OD1-N 3.24Å; D401-R403 IonicContact OD1-NE 3.59Å; D401-R403 PolarHBondContact OD1-NE 2.73Å; D401-R403 IonicContact OD1-NH2 3.29Å; D401-R403 IonicContact OD2-CZ 3.24Å; D401-R403 IonicContact OD2-NE 2.93Å; D401-R403 PolarHBondContact OD2-NE 2.7Å; D401-R403 IonicContact OD2-NH2 3.18Å; D401-R403 PolarHBondContact OD2-NH2 3.37Å; D401-F404 HydrophobicContact CB-CD2 4.05Å; D401-F404 HydrophobicContact CB-CE2 4.33Å; D401-F404 PolarHBondContact O-N 2.63Å; D401-F404 VanDerWaalsContact O-O 3.13Å; D401-H412 PolarHBondContact O-ND1 2.83Å
402P91.1Very high90.3Very high4 Ų459.9 Ų59.93%0.02633%0.326CS..THydrogen-bonded Turntrans-52.4-25.8172.1-33.740.1000117L227 F228 A231 P271 F404 H412L227-P402 HydrophobicContact CG-CB 4.2Å; F228-P402 HydrophobicContact CD1-CG 3.79Å; F228-P402 HydrophobicContact CD2-CG 4.06Å; F228-P402 HydrophobicContact CE1-CG 3.92Å; F228-P402 HydrophobicContact CE2-CG 4.19Å; F228-P402 HydrophobicContact CG-CG 3.87Å; F228-P402 HydrophobicContact CZ-CG 4.12Å; A231-P402 HydrophobicContact CB-CB 3.64Å; A231-P402 HydrophobicContact CB-CG 4.04Å; P271-P402 WeakPolarHBondContact CB-O 3.42Å; P402-F404 PolarHBondContact O-N 2.92Å; P402-H412 WeakPolarHBondContact CA-ND1 3.39Å; P402-H412 HydrophobicContact CG-CB 4.32Å
403R90.7Very high90.1Very high99 Ų9955.2 Ų55.237%0.37431%0.305SS..THydrogen-bonded Turntrans-70.4-19.1-177.6-70.9171.8-77.1-177.2-0.5113.9L227 V272 D401L227-R403 HydrophobicContact CD2-CG 3.43Å; L227-R403 VanDerWaalsContact CD2-CG 3.43Å; V272-R403 HydrophobicContact CG2-CG 4.42Å; D401-R403 PolarHBondContact O-N 3.3Å; D401-R403 VanDerWaalsContact OD1-CB 3.23Å; D401-R403 WeakPolarHBondContact OD1-CB 3.37Å; D401-R403 VanDerWaalsContact OD1-CG 3.3Å; D401-R403 WeakPolarHBondContact OD1-CG 3.42Å; D401-R403 IonicContact OD1-CZ 3.54Å; D401-R403 PolarHBondContact OD1-N 3.24Å; D401-R403 IonicContact OD1-NE 3.59Å; D401-R403 PolarHBondContact OD1-NE 2.73Å; D401-R403 IonicContact OD1-NH2 3.29Å; D401-R403 IonicContact OD2-CZ 3.24Å; D401-R403 IonicContact OD2-NE 2.93Å; D401-R403 PolarHBondContact OD2-NE 2.7Å; D401-R403 IonicContact OD2-NH2 3.18Å; D401-R403 PolarHBondContact OD2-NH2 3.37Å
404F92.3Very high89.7Confident20 Ų2060.6 Ų60.69%0.08832%0.324CS..SBendtrans-128.3153.9-173.3-42.1-57.3000110.4I373 R386 F389 Q390 D401 P402 H412I373-F404 HydrophobicContact CD1-CB 3.7Å; R386-F404 HydrophobicContact CB-CD1 4.1Å; R386-F404 HydrophobicContact CB-CE1 4.21Å; R386-F404 HydrophobicContact CB-CG 4.43Å; R386-F404 HydrophobicContact CG-CD1 3.98Å; R386-F404 HydrophobicContact CG-CE1 3.65Å; R386-F404 HydrophobicContact CG-CZ 4.13Å; F389-F404 HydrophobicContact CD1-CD2 4.18Å; F389-F404 AromaticContact CD1-CE2 3.62Å; F389-F404 HydrophobicContact CD1-CE2 3.62Å; F389-F404 AromaticContact CE1-CE2 3.9Å; F389-F404 HydrophobicContact CE1-CE2 3.9Å; Q390-F404 PolarHBondContact NE2-O 2.85Å; D401-F404 HydrophobicContact CB-CD2 4.05Å; D401-F404 HydrophobicContact CB-CE2 4.33Å; D401-F404 PolarHBondContact O-N 2.63Å; D401-F404 VanDerWaalsContact O-O 3.13Å; P402-F404 PolarHBondContact O-N 2.92Å; F404-H412 PolarHBondContact O-CE1 3.45Å
405P92Very high88.8Confident44 Ų4462.3 Ų62.329%0.28633%0.334SS..  trans-52.5149.2169.9-24.834.2000111.6I373 Y374 Q390I373-P405 HydrophobicContact CB-CB 4.31Å; I373-P405 HydrophobicContact CG1-CB 4.46Å; Y374-P405 HydrophobicContact CD1-CG 3.97Å; Y374-P405 VanDerWaalsContact CE1-CD 3.49Å; Y374-P405 HydrophobicContact CE1-CG 3.65Å; Q390-P405 PolarHBondContact NE2-O 3.25Å
406V90.5Very high87.6Confident32 Ų3263.4 Ų63.419%0.19434%0.342CS..  trans-116.6133.8177.6167.40000107.8Q390 R410 H412Q390-V406 VanDerWaalsContact NE2-CG2 3.33Å; V406-R410 VanDerWaalsContact CG1-C 3.49Å; V406-R410 HydrophobicContact CG1-CB 3.32Å; V406-H412 VanDerWaalsContact CG2-CE1 3.43Å; V406-H412 WeakPolarHBondContact CG2-CE1 3.35Å; V406-H412 VanDerWaalsContact CG2-ND1 3.31Å; V406-H412 WeakPolarHBondContact CG2-ND1 3.49Å
407P89.3Confident86.4Confident44 Ų4462.5 Ų62.529%0.28632%0.324SS..  trans-56.6153.6177.8-26.434.6000113.1M391 I394 G409 R410M391-P407 HydrophobicContact CE-CG 3.63Å; M391-P407 HydrophobicContact SD-CG 4.27Å; I394-P407 HydrophobicContact CD1-CG 4.32Å; P407-G409 PolarHBondContact O-N 3.32Å; P407-R410 WeakPolarHBondContact O-CB 3.47Å; P407-R410 PolarHBondContact O-N 3.06Å
408E85.5Confident84.8Confident163 Ų16361.2 Ų61.276%0.76231%0.312SS*.THydrogen-bonded Turntrans-52.8138.2176.8-71.5156.5-115.900111.9K375 R410K375-E408 IonicContact NZ-OE1 3.08Å; K375-E408 PolarHBondContact NZ-OE1 3.35Å; E408-R410 PolarHBondContact O-N 3.04Å
409G86.8Confident83.2Confident89 Ų8967.3 Ų67.392%0.91833%0.33SS*.THydrogen-bonded Turntrans77.8-5-175.900000115.5P407P407-G409 PolarHBondContact O-N 3.32Å
410R88.7Confident81.2Confident133 Ų13375.9 Ų75.950%0.50237%0.368SS..  trans-100.6161.9170.4-63.2-64.8-171.51463.8111.1I394 V406 P407 E408I394-R410 HydrophobicContact CG2-CG 4.3Å; I394-R410 VanDerWaalsContact CG2-CZ 3.46Å; V406-R410 VanDerWaalsContact CG1-C 3.49Å; V406-R410 HydrophobicContact CG1-CB 3.32Å; P407-R410 WeakPolarHBondContact O-CB 3.47Å; P407-R410 PolarHBondContact O-N 3.06Å; E408-R410 PolarHBondContact O-N 3.04Å
411R89.5Confident79.3Confident117 Ų11777.6 Ų77.644%0.44238%0.378SS..  trans-121.6158.8177.466.3165.9179.685.6-3.5112G400 E417G400-R411 PolarHBondContact N-O 2.93Å; R411-E417 IonicContact CZ-OE1 2.74Å; R411-E417 IonicContact CZ-OE2 3.84Å; R411-E417 IonicContact NH1-OE1 2.8Å; R411-E417 IonicContact NH1-OE2 3.43Å; R411-E417 PolarHBondContact NH1-OE2 3.46Å; R411-E417 IonicContact NH2-OE1 3.61Å; R411-E417 PolarHBondContact NH2-OE1 3.49Å; R411-E417 IonicContact NH2-OE2 3.66Å; R411-E417 PolarHBondContact NH2-OE2 3.25Å
412H89.9Confident77Confident58 Ų5881.5 Ų81.527%0.26940%0.399SS..BIsolated β-bridgetrans-65.1152.9166.4-65.4-62.6000111.8G400 D401 P402 F404 V406G400-H412 CarbonylContact O-C 3.56Å; G400-H412 VanDerWaalsContact O-CA 3.28Å; G400-H412 WeakPolarHBondContact O-CA 3.23Å; D401-H412 PolarHBondContact O-ND1 2.83Å; P402-H412 WeakPolarHBondContact CA-ND1 3.39Å; P402-H412 HydrophobicContact CG-CB 4.32Å; F404-H412 PolarHBondContact O-CE1 3.45Å; V406-H412 VanDerWaalsContact CG2-CE1 3.43Å; V406-H412 WeakPolarHBondContact CG2-CE1 3.35Å; V406-H412 VanDerWaalsContact CG2-ND1 3.31Å; V406-H412 WeakPolarHBondContact CG2-ND1 3.49Å
413C87.8Confident74.5Confident2 Ų285.2 Ų85.21%0.01442%0.417CS..PPolyproline II helixtrans-71.9140.3171.4-61.30000111F228 C399 G400 E417F228-C413 WeakPolarHBondContact CD1-O 3.38Å; F228-C413 HydrophobicContact CE1-CB 4.28Å; C399-C413 HydrophobicContact CB-CB 3.91Å; C399-C413 WeakPolarHBondContact CB-SG 3.21Å; C399-C413 PolarHBondContact O-SG 2.94Å; C399-C413 WeakPolarHBondContact SG-CA 3.37Å; C399-C413 WeakPolarHBondContact SG-CB 3.27Å; C399-C413 CovalentContact SG-SG 2.04Å; C399-C413 PolarHBondContact SG-SG 3.09Å; G400-C413 PolarHBondContact O-N 3.4Å; G400-C413 PolarHBondContact O-SG 3.38Å; C413-E417 WeakPolarHBondContact CA-OE2 3.12Å
414R82.5Confident71.9Confident131 Ų13188.8 Ų88.849%0.49444%0.435SS..PPolyproline II helixtrans-78.5161.2173.7-64.9-164164143.11.7112.3E232 E416 E417E232-R414 WeakPolarHBondContact OE1-CA 3.45Å; E232-R414 WeakPolarHBondContact OE1-CB 3.37Å; E232-R414 WeakPolarHBondContact OE1-CG 3.34Å; E232-R414 IonicContact OE2-NE 3.72Å; E232-R414 PolarHBondContact OE2-NE 2.96Å; E232-R414 VanDerWaalsContact OE2-NE 3.13Å; R414-E416 PolarHBondContact O-N 3.45Å; R414-E417 HydrophobicContact CB-CG 4.23Å; R414-E417 PolarHBondContact N-OE2 3.28Å; R414-E417 PolarHBondContact O-N 3.35Å; R414-E417 VanDerWaalsContact O-N 3.12Å
415V72.5Confident69.3Low45 Ų4594.5 Ų94.527%0.27347%0.472SS..G310 helixtrans-52.8-39.8175.5-174.70000112.1F228 I229 R418F228-V415 HydrophobicContact CB-CG2 3.73Å; I229-V415 HydrophobicContact CG1-CG2 3.7Å; V415-R418 WeakPolarHBondContact O-CB 3.47Å; V415-R418 PolarHBondContact O-N 3.5Å
416E67.2Low66.5Low175 Ų17599.2 Ų99.282%0.81850%0.5SS*.G310 helixtrans-72.2-28.3-177.7-60-176.3158.200113.5R414 R418R414-E416 PolarHBondContact O-N 3.45Å; E416-R418 PolarHBondContact O-N 3.27Å
417E65Low63.9Low63 Ų63102.2 Ų102.229%0.29452%0.522SS..G310 helixtrans-74.6-10.5-178.4-62.1177135.600112.1R411 C413 R414 E419 K420R411-E417 IonicContact CZ-OE1 2.74Å; R411-E417 IonicContact CZ-OE2 3.84Å; R411-E417 IonicContact NH1-OE1 2.8Å; R411-E417 IonicContact NH1-OE2 3.43Å; R411-E417 PolarHBondContact NH1-OE2 3.46Å; R411-E417 IonicContact NH2-OE1 3.61Å; R411-E417 PolarHBondContact NH2-OE1 3.49Å; R411-E417 IonicContact NH2-OE2 3.66Å; R411-E417 PolarHBondContact NH2-OE2 3.25Å; C413-E417 WeakPolarHBondContact CA-OE2 3.12Å; R414-E417 HydrophobicContact CB-CG 4.23Å; R414-E417 PolarHBondContact N-OE2 3.28Å; R414-E417 PolarHBondContact O-N 3.35Å; R414-E417 VanDerWaalsContact O-N 3.12Å; E417-E419 VanDerWaalsContact C-N 3.28Å; E417-E419 PolarHBondContact O-N 3.15Å; E417-K420 PolarHBondContact O-N 3.05Å
418R57.1Low61.1Low18 Ų18108.4 Ų108.47%0.06854%0.54CS..G310 helixtrans-68.2-16.7-170.7-156.3-170.2155.1-174.5-1.7114.7K221 E224 N225 F228 V415 E416 K420 T421 N422K221-R418 VanDerWaalsContact NZ-CZ 3.29Å; E224-R418 VanDerWaalsContact CB-NH1 3.28Å; E224-R418 IonicContact OE1-CZ 2.75Å; E224-R418 IonicContact OE1-NH2 2.66Å; E224-R418 PolarHBondContact OE1-NH2 3.18Å; E224-R418 IonicContact OE2-CZ 3.58Å; E224-R418 IonicContact OE2-NH1 3.57Å; E224-R418 PolarHBondContact OE2-NH1 3.42Å; E224-R418 IonicContact OE2-NH2 2.99Å; E224-R418 PolarHBondContact OE2-NH2 2.97Å; N225-R418 PolarHBondContact OD1-NH1 3.26Å; F228-R418 HydrophobicContact CE1-CG 4.36Å; F228-R418 HydrophobicContact CZ-CG 4.41Å; V415-R418 WeakPolarHBondContact O-CB 3.47Å; V415-R418 PolarHBondContact O-N 3.5Å; E416-R418 PolarHBondContact O-N 3.27Å; R418-K420 PolarHBondContact O-N 3.49Å; R418-T421 WeakPolarHBondContact CA-OG1 3.25Å; R418-T421 PolarHBondContact O-N 2.9Å; R418-T421 VanDerWaalsContact O-N 3.16Å; R418-T421 PolarHBondContact O-OG1 2.87Å; R418-N422 PolarHBondContact NE-ND2 2.63Å; R418-N422 PolarHBondContact NE-OD1 3.44Å; R418-N422 PolarHBondContact NH2-OD1 2.94Å; R418-N422 PolarHBondContact O-N 2.92Å; R418-N422 PolarHBondContact O-ND2 3.36Å
419E54.8Low58.7Low168 Ų168108.8 Ų108.879%0.78554%0.54SS*.G310 helixtrans-62.6-21.6173.5-69.8-159149.800112.9E417E417-E419 VanDerWaalsContact C-N 3.28Å; E417-E419 PolarHBondContact O-N 3.15Å
420K48.9Very low55.9Low182 Ų182113.8 Ų113.879%0.79153%0.531SS*.G310 helixtrans-86.4-18.2176.1-64-178.9-177.61740114.1E417 R418E417-K420 PolarHBondContact O-N 3.05Å; R418-K420 PolarHBondContact O-N 3.49Å
421T51.2Low53.3Low35 Ų35113 Ų11322%0.21554%0.536CS..THydrogen-bonded Turntrans-107.7-14.5-168.460.10000114.7L393 C397 R418 M423L393-T421 HydrophobicContact CD1-CG2 3.67Å; C397-T421 HydrophobicContact CB-CG2 4.43Å; R418-T421 WeakPolarHBondContact CA-OG1 3.25Å; R418-T421 PolarHBondContact O-N 2.9Å; R418-T421 VanDerWaalsContact O-N 3.16Å; R418-T421 PolarHBondContact O-OG1 2.87Å; T421-M423 VanDerWaalsContact C-N 3.3Å; T421-M423 PolarHBondContact O-N 3.39Å
422N44.2Very low50.6Low90 Ų90115.9 Ų115.948%0.48156%0.559SS.*  trans-79.472.3178.5-63.1-44.7000112.6R418R418-N422 PolarHBondContact NE-ND2 2.63Å; R418-N422 PolarHBondContact NE-OD1 3.44Å; R418-N422 PolarHBondContact NH2-OD1 2.94Å; R418-N422 PolarHBondContact O-N 2.92Å; R418-N422 PolarHBondContact O-ND2 3.36Å
423M37.9Very low47.7Very low82 Ų82120.8 Ų120.840%0.40459%0.588SS.*  trans-119137.5154.4-158.6163.3109.900107.1T421T421-M423 VanDerWaalsContact C-N 3.3Å; T421-M423 PolarHBondContact O-N 3.39Å
424F36.3Very low45.3Very low174 Ų174124.3 Ų124.376%0.76362%0.624SS**SBendtrans87.8142.7-176.6-51.1-72.6000118.3
425T37.7Very low42.9Very low139 Ų139127.5 Ų127.585%0.85364%0.644SS**  trans55.2102.9170.139.70000121.2
426T33.8Very low41.3Very low143 Ų143132 Ų13288%0.87767%0.667SS**  trans-126104.4147.850.20000109.4
427S34.5Very low40Very low95 Ų95131.2 Ų131.266%0.66466%0.663SS**  trans-95.2146.2169.651.70000110.8
428R32.3Very low38.5Very low175 Ų175136.3 Ų136.366%0.6668%0.684SS**  trans-88.1135.1177.1-100.7179.5172.8166.41.3110.1
429F35.1Very low37.9Very low170 Ų170140.3 Ų140.375%0.74672%0.721SS**  trans-131.2128.9161.2-92.5-87.7000109.4
430R27.9Very low38.1Very low194 Ų194136.5 Ų136.573%0.73271%0.709SS**  trans-87.1130.1167.8-69-175.7-175.3127.7-1.7108.7E156E156-R430 VanDerWaalsContact CD-NH1 3.26Å; E156-R430 IonicContact OE1-CZ 3.69Å; E156-R430 VanDerWaalsContact OE1-CZ 3.24Å; E156-R430 IonicContact OE1-NH1 3.18Å; E156-R430 PolarHBondContact OE1-NH1 3.36Å; E156-R430 IonicContact OE1-NH2 3.69Å; E156-R430 PolarHBondContact OE1-NH2 2.74Å; E156-R430 IonicContact OE2-CZ 3.95Å; E156-R430 IonicContact OE2-NH1 3Å; E156-R430 PolarHBondContact OE2-NH1 3.06Å
431L32.7Very low39.1Very low116 Ų116132 Ų13261%0.60769%0.69SS**  trans-96.1126.7168.1-86.9159.5000109.8K314K314-L431 HydrophobicContact CB-CD1 4.17Å
432L32.8Very low40.8Very low178 Ų178131.6 Ų131.693%0.93269%0.686SS**  trans-83.8111170.4-92.4158.3000109.3G434L432-G434 PolarHBondContact O-N 2.7Å
433N30.4Very low42.9Very low162 Ų162129.2 Ų129.287%0.86668%0.679SS**  trans-77102.8174.4-81.8-28000110.8
434G35.8Very low45.5Very low76 Ų76125.6 Ų125.678%0.78466%0.661SS**  trans-97118.6165.100000111L432L432-G434 PolarHBondContact O-N 2.7Å
435Q33.7Very low48.2Very low197 Ų197118.7 Ų118.792%0.92163%0.634SS**  trans-85.8115.4170.6-69.4-167.9-1100110.2
436L38.3Very low50.9Low141 Ų141112 Ų11274%0.73859%0.594SS**  trans-134.1118.8164-153.772.2000112.3
437Q40.2Very low53.9Low157 Ų157107 Ų10773%0.73456%0.56SS**  trans37.8129.1156.7-67.1177.5-18.800121.7A439Q437-A439 PolarHBondContact O-N 2.82Å
438K33.3Very low56.9Low171 Ų171102.5 Ų102.574%0.74353%0.529SS*.SBendtrans-97.879-173.9-167176.5-173.4178.70111.3K441K438-K441 HydrophobicContact CB-CD 4.46Å; K438-K441 HydrophobicContact CG-CD 4.23Å
439A43.6Very low59.9Low102 Ų10296.2 Ų96.284%0.84351%0.505SS*.SBendtrans-160.7-29.9164.300000112.6Q437Q437-A439 PolarHBondContact O-N 2.82Å
440T60Low62.8Low87 Ų8788.8 Ų88.853%0.53447%0.473SS..SBendtrans-93.93.6175.448.40000113.5G341 N442G341-T440 WeakPolarHBondContact CA-O 3.46Å; G341-T440 PolarHBondContact N-O 2.89Å; T440-N442 VanDerWaalsContact C-N 3.34Å; T440-N442 PolarHBondContact O-N 3.21Å; T440-N442 VanDerWaalsContact O-N 3.15Å
441K69.5Low65.9Low88 Ų8885 Ų8538%0.38346%0.463SS..SBendtrans-63-24.2-163.1-82-164.8173.6-159.70117.7V306 T340 K438V306-K441 WeakPolarHBondContact CG2-O 3.47Å; T340-K441 WeakPolarHBondContact CB-O 3.3Å; T340-K441 VanDerWaalsContact CG2-O 3.3Å; T340-K441 WeakPolarHBondContact CG2-O 3.4Å; T340-K441 PolarHBondContact OG1-O 3.16Å; K438-K441 HydrophobicContact CB-CD 4.46Å; K438-K441 HydrophobicContact CG-CD 4.23Å
442N85.9Confident68.7Low26 Ų2684 Ų8414%0.13946%0.455CS..SBendtrans-113.3-18.9-167.1-68.920.2000112.9Y303 V304 T440Y303-N442 CarbonylContact C-O 3.59Å; Y303-N442 WeakPolarHBondContact CA-O 3.06Å; Y303-N442 HydrophobicContact CD2-CB 3.94Å; Y303-N442 HydrophobicContact CE2-CB 3.37Å; Y303-N442 PolarHBondContact OH-ND2 3.27Å; V304-N442 PolarHBondContact N-O 3.29Å; V304-N442 WeakPolarHBondContact O-CA 3.49Å; V304-N442 WeakPolarHBondContact O-CB 3.49Å; T440-N442 VanDerWaalsContact C-N 3.34Å; T440-N442 PolarHBondContact O-N 3.21Å; T440-N442 VanDerWaalsContact O-N 3.15Å
443A88.3Confident71.2Confident41 Ų4177.9 Ų77.934%0.33942%0.424SS..EExtended strand (participates in β ladder)trans-102.7147.2178.500000111V302 G341V302-A443 CarbonylContact O-C 3.54Å; V302-A443 WeakPolarHBondContact O-CA 3.26Å; G341-A443 WeakPolarHBondContact CA-O 3.47Å; G341-A443 PolarHBondContact N-O 3.24Å
444L92.4Very high74Confident5 Ų571.9 Ų71.93%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-138.3153.8168.860.8148.3000110.2V301 V302 V304 V318 A338 T340 L446V301-L444 WeakPolarHBondContact CA-O 3.37Å; V302-L444 HydrophobicContact CB-CD2 4.15Å; V302-L444 HydrophobicContact CB-CG 4.18Å; V302-L444 HydrophobicContact CG1-CD2 4.45Å; V302-L444 PolarHBondContact N-O 2.91Å; V302-L444 WeakPolarHBondContact O-CD2 3.06Å; V302-L444 PolarHBondContact O-N 3.18Å; V304-L444 HydrophobicContact CG2-CD2 4.38Å; V318-L444 HydrophobicContact CB-CD1 3.96Å; V318-L444 HydrophobicContact CG2-CD1 3.81Å; V318-L444 HydrophobicContact CG2-CD2 3.71Å; V318-L444 HydrophobicContact CG2-CG 4.31Å; A338-L444 HydrophobicContact CB-CD1 3.86Å; T340-L444 HydrophobicContact CG2-CD2 4.4Å; L444-L446 HydrophobicContact CD1-CD1 4.35Å; L444-L446 HydrophobicContact CD1-CD2 3.68Å; L444-L446 HydrophobicContact CD1-CG 3.97Å
445S92.9Very high76.7Confident29 Ų2969.7 Ų69.720%0.20336%0.36CS..EExtended strand (participates in β ladder)trans-106.8135.7171.6-1780000109.3L300 L342 M343 S344L300-S445 CarbonylContact O-C 3.57Å; L300-S445 WeakPolarHBondContact O-CA 3.45Å; L342-S445 PolarHBondContact O-N 3.06Å; L342-S445 VanDerWaalsContact O-N 3.17Å; M343-S445 CarbonylContact C-O 3.55Å; M343-S445 WeakPolarHBondContact CA-O 3.48Å; S344-S445 PolarHBondContact N-O 3.38Å
446L95.8Very high79.5Confident0 Ų061.3 Ų61.30%032%0.321CS..EExtended strand (participates in β ladder)trans-122.2134.7176.5-57.6172.1000109.4L90 S299 L300 V302 V318 A338 S344 F346 L444 I448L90-L446 HydrophobicContact CD2-CD1 3.62Å; S299-L446 CarbonylContact C-O 3.56Å; S299-L446 WeakPolarHBondContact CA-O 2.93Å; L300-L446 HydrophobicContact CB-CB 4.21Å; L300-L446 HydrophobicContact CD1-CB 4.35Å; L300-L446 HydrophobicContact CD1-CD1 4.2Å; L300-L446 PolarHBondContact N-O 3.12Å; L300-L446 PolarHBondContact O-N 3.45Å; V302-L446 HydrophobicContact CG2-CD1 3.93Å; V318-L446 HydrophobicContact CG1-CD1 4.33Å; A338-L446 HydrophobicContact CB-CD2 3.37Å; S344-L446 WeakPolarHBondContact O-CA 3.47Å; F346-L446 HydrophobicContact CE2-CD2 4.15Å; L444-L446 HydrophobicContact CD1-CD1 4.35Å; L444-L446 HydrophobicContact CD1-CD2 3.68Å; L444-L446 HydrophobicContact CD1-CG 3.97Å; L446-I448 HydrophobicContact CB-CD1 3.95Å
447E96.8Very high82.2Confident36 Ų3654.7 Ų54.717%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-124.8125.1169.2-58.1-178.9132.600108.7P294 L298 S344 S345 F346 Y449P294-E447 HydrophobicContact CB-CB 4.42Å; L298-E447 CarbonylContact O-C 3.59Å; L298-E447 WeakPolarHBondContact O-CA 3.23Å; S344-E447 PolarHBondContact O-N 2.91Å; S345-E447 CarbonylContact C-O 3.57Å; S345-E447 WeakPolarHBondContact CA-O 3.45Å; S345-E447 PolarHBondContact OG-OE2 3.18Å; F346-E447 PolarHBondContact N-O 3.42Å; E447-Y449 HydrophobicContact CB-CD1 4.29Å; E447-Y449 HydrophobicContact CB-CE1 4.48Å
448I97Very high84.9Confident1 Ų149.1 Ų49.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-126.6114.9178.3-55.989.6000107.9F85 V88 G297 L298 L300 L320 V322 F346 L348 L446F85-I448 HydrophobicContact CZ-CB 4.48Å; F85-I448 HydrophobicContact CZ-CG2 4.18Å; F85-I448 WeakPolarHBondContact CZ-O 3.41Å; V88-I448 HydrophobicContact CG1-CD1 4.3Å; V88-I448 HydrophobicContact CG1-CG1 4.42Å; V88-I448 HydrophobicContact CG2-CG2 4.15Å; G297-I448 CarbonylContact C-O 3.58Å; G297-I448 WeakPolarHBondContact CA-O 3.42Å; L298-I448 HydrophobicContact CB-CB 4.5Å; L298-I448 PolarHBondContact N-O 3.18Å; L298-I448 PolarHBondContact O-N 3.36Å; L300-I448 HydrophobicContact CD1-CD1 4.19Å; L320-I448 HydrophobicContact CD1-CD1 4.12Å; L320-I448 HydrophobicContact CD1-CG1 4.15Å; L320-I448 HydrophobicContact CD2-CG1 3.99Å; V322-I448 HydrophobicContact CG2-CG2 4.48Å; F346-I448 HydrophobicContact CB-CG1 4.35Å; F346-I448 HydrophobicContact CD2-CG1 4.38Å; L348-I448 HydrophobicContact CD1-CG2 3.57Å; L348-I448 HydrophobicContact CD2-CG2 4.33Å; L348-I448 HydrophobicContact CG-CG2 3.96Å; L446-I448 HydrophobicContact CB-CD1 3.95Å
449Y96.1Very high87.9Confident44 Ų4443 Ų4317%0.17323%0.234CC..EExtended strand (participates in β ladder)trans-148.9156-171.360.1-86.2000111.7G293 P294 F346 L348 E447G293-Y449 WeakPolarHBondContact O-CB 3.39Å; P294-Y449 HydrophobicContact CB-CD1 3.98Å; P294-Y449 HydrophobicContact CB-CE1 4.21Å; P294-Y449 HydrophobicContact CB-CG 4.44Å; P294-Y449 HydrophobicContact CG-CD1 3.86Å; P294-Y449 HydrophobicContact CG-CD2 4.46Å; P294-Y449 HydrophobicContact CG-CE1 3.67Å; P294-Y449 HydrophobicContact CG-CE2 4.3Å; P294-Y449 HydrophobicContact CG-CG 4.26Å; F346-Y449 PolarHBondContact O-N 3.49Å; L348-Y449 WeakPolarHBondContact CB-O 3.43Å; L348-Y449 PolarHBondContact N-O 3.44Å; E447-Y449 HydrophobicContact CB-CD1 4.29Å; E447-Y449 HydrophobicContact CB-CE1 4.48Å
450F94.9Very high90.4Very high13 Ų1340.4 Ų40.46%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-75.1130.6169.6-68.7-64.9000110.9F85 T289 A292 G293 L348 L350 Q452F85-F450 HydrophobicContact CD2-CD2 4.28Å; F85-F450 AromaticContact CD2-CE2 3.84Å; F85-F450 HydrophobicContact CD2-CE2 3.84Å; F85-F450 HydrophobicContact CD2-CZ 4.47Å; T289-F450 HydrophobicContact CG2-CD2 4.13Å; T289-F450 HydrophobicContact CG2-CE2 4.38Å; T289-F450 WeakPolarHBondContact OG1-CD2 3.43Å; A292-F450 WeakPolarHBondContact CA-O 3.38Å; A292-F450 VanDerWaalsContact CB-O 3.31Å; A292-F450 WeakPolarHBondContact CB-O 3.41Å; G293-F450 PolarHBondContact N-O 2.86Å; L348-F450 HydrophobicContact CB-CD1 3.87Å; L348-F450 HydrophobicContact CB-CE1 4.28Å; L348-F450 WeakPolarHBondContact O-CA 3.45Å; L350-F450 HydrophobicContact CB-CE1 4.35Å; F450-Q452 VanDerWaalsContact C-N 3.31Å
451E93Very high92Very high114 Ų11439.5 Ų39.553%0.53320%0.196SC..SBendtrans-67.6-35.6172.9-61.9-173151.900111.6L348L348-E451 PolarHBondContact O-N 2.91Å
452Q91.1Very high93.2Very high95 Ų9538.5 Ų38.544%0.44419%0.192SC..  trans-142.3143.7178.5-59.2-173.7-9.200108.4F450 N454F450-Q452 VanDerWaalsContact C-N 3.31Å; Q452-N454 PolarHBondContact OE1-ND2 3.43Å
453L86.8Confident93.6Very high51 Ų5139 Ų3927%0.26720%0.2SC..SBendtrans-77.1-24177.9-74.8-177.8000113.1T289 A292T289-L453 WeakPolarHBondContact OG1-CD2 3.4Å; A292-L453 HydrophobicContact CB-CG 4.41Å
454N89.4Confident93.9Very high36 Ų3637.7 Ų37.719%0.19319%0.187CC..  trans-73.7141.4174.551.6-80.9000111.4L78 R79 F80 Q452L78-N454 HydrophobicContact CD1-CB 4.4Å; L78-N454 HydrophobicContact CG-CB 4.37Å; R79-N454 CarbonylContact O-C 3.47Å; R79-N454 WeakPolarHBondContact O-CA 3.3Å; R79-N454 WeakPolarHBondContact O-CB 3.24Å; F80-N454 HydrophobicContact CD1-CB 3.73Å; F80-N454 HydrophobicContact CE1-CB 4Å; F80-N454 HydrophobicContact CG-CB 4.34Å; Q452-N454 PolarHBondContact OE1-ND2 3.43Å
455Y90.9Very high93.9Very high29 Ų2941.6 Ų41.611%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-119.2153.2178.166.5-85.8000111.7R79 E81 L350 V457R79-Y455 HydrophobicContact CB-CD1 4.04Å; R79-Y455 HydrophobicContact CB-CD2 4.25Å; R79-Y455 HydrophobicContact CB-CE1 3.61Å; R79-Y455 HydrophobicContact CB-CE2 3.86Å; R79-Y455 HydrophobicContact CB-CG 4.34Å; R79-Y455 WeakPolarHBondContact CD-OH 3.29Å; R79-Y455 HydrophobicContact CG-CE2 4.21Å; R79-Y455 PolarHBondContact N-O 3.26Å; R79-Y455 PolarHBondContact O-N 2.77Å; E81-Y455 HydrophobicContact CB-CE1 4.18Å; E81-Y455 PolarHBondContact OE2-OH 3.5Å; L350-Y455 HydrophobicContact CD2-CD2 4.41Å; L350-Y455 HydrophobicContact CD2-CG 4.1Å; Y455-V457 HydrophobicContact CD2-CG2 3.76Å; Y455-V457 HydrophobicContact CE2-CG2 3.52Å
456E92.8Very high93.9Very high22 Ų2247.6 Ų47.610%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-104.7121-174.6-179.9-178.2177.100108.9V76 L78 R349 L350 R351 K352 L458V76-E456 HydrophobicContact CG1-CG 3.9Å; L78-E456 HydrophobicContact CD1-CB 4.49Å; R349-E456 IonicContact CZ-OE2 2.68Å; R349-E456 IonicContact NE-OE2 2.84Å; R349-E456 PolarHBondContact NE-OE2 3.31Å; R349-E456 IonicContact NH2-OE2 3.91Å; R349-E456 PolarHBondContact NH2-OE2 2.97Å; L350-E456 PolarHBondContact O-N 2.81Å; R351-E456 CarbonylContact C-O 3.6Å; R351-E456 WeakPolarHBondContact CA-O 3.43Å; R351-E456 HydrophobicContact CG-CB 4.29Å; R351-E456 IonicContact CZ-OE1 3.18Å; R351-E456 IonicContact CZ-OE2 3.63Å; R351-E456 VanDerWaalsContact CZ-OE2 3.24Å; R351-E456 IonicContact NE-OE1 2.93Å; R351-E456 IonicContact NE-OE2 3.33Å; R351-E456 PolarHBondContact NE-OE2 3.29Å; R351-E456 VanDerWaalsContact NH2-CD 3.34Å; R351-E456 IonicContact NH2-OE1 3.9Å; R351-E456 PolarHBondContact NH2-OE1 3.16Å; R351-E456 IonicContact NH2-OE2 3.85Å; R351-E456 PolarHBondContact NH2-OE2 2.85Å; K352-E456 PolarHBondContact N-O 2.98Å; E456-L458 HydrophobicContact CG-CD2 4.16Å; E456-L458 HydrophobicContact CG-CG 4.49Å
457V95.2Very high93.8Very high1 Ų152.1 Ų52.11%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-104.6116174.5-168.90000108.4E77 R79 K352 E354 Y455 K459E77-V457 HydrophobicContact CB-CB 4.24Å; E77-V457 PolarHBondContact N-O 3.44Å; E77-V457 PolarHBondContact O-N 3.26Å; R79-V457 HydrophobicContact CG-CG2 4.14Å; K352-V457 HydrophobicContact CB-CG1 4.21Å; K352-V457 HydrophobicContact CB-CG2 4.24Å; K352-V457 HydrophobicContact CD-CG1 4.39Å; K352-V457 CarbonylContact O-C 3.06Å; K352-V457 WeakPolarHBondContact O-CA 3.4Å; E354-V457 HydrophobicContact CG-CG1 4.34Å; Y455-V457 HydrophobicContact CD2-CG2 3.76Å; Y455-V457 HydrophobicContact CE2-CG2 3.52Å; V457-K459 HydrophobicContact CG1-CD 4.45Å; V457-K459 HydrophobicContact CG1-CG 3.72Å
458L96.4Very high93.7Very high41 Ų4153.6 Ų53.622%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-95.6104.2173.6-59.4178.6000107.7T74 V76 K352 I353 E354 E456T74-L458 HydrophobicContact CG2-CB 4.48Å; V76-L458 HydrophobicContact CB-CD2 4.26Å; V76-L458 HydrophobicContact CG1-CD2 3.97Å; V76-L458 HydrophobicContact CG2-CD2 3.75Å; K352-L458 PolarHBondContact O-N 3.38Å; I353-L458 WeakPolarHBondContact CA-O 3.35Å; I353-L458 HydrophobicContact CG1-CB 4.5Å; I353-L458 HydrophobicContact CG1-CD1 4.45Å; E354-L458 PolarHBondContact N-O 3.28Å; E456-L458 HydrophobicContact CG-CD2 4.16Å; E456-L458 HydrophobicContact CG-CG 4.49Å
459K96.3Very high93.6Very high41 Ų4154.3 Ų54.318%0.17826%0.263CS..EExtended strand (participates in β ladder)trans-104128.7179.3-59.7-168.8-179.8170.60110.8T74 Q75 E77 E354 V457T74-K459 CarbonylContact C-O 3.58Å; T74-K459 WeakPolarHBondContact CA-O 3.36Å; Q75-K459 PolarHBondContact N-O 3.47Å; Q75-K459 PolarHBondContact O-N 2.96Å; E77-K459 VanDerWaalsContact CD-CE 3.45Å; E77-K459 VanDerWaalsContact OE1-CE 3.25Å; E77-K459 WeakPolarHBondContact OE1-CE 3.1Å; E77-K459 IonicContact OE1-NZ 2.96Å; E77-K459 PolarHBondContact OE1-NZ 3.24Å; E77-K459 VanDerWaalsContact OE2-CE 3.3Å; E77-K459 WeakPolarHBondContact OE2-CE 3.06Å; E77-K459 IonicContact OE2-NZ 2.76Å; E77-K459 PolarHBondContact OE2-NZ 2.9Å; E77-K459 VanDerWaalsContact OE2-NZ 3.08Å; E354-K459 HydrophobicContact CB-CG 4.26Å; E354-K459 WeakPolarHBondContact OE2-CD 3.36Å; E354-K459 WeakPolarHBondContact OE2-CE 3.31Å; E354-K459 WeakPolarHBondContact OE2-CG 3.31Å; V457-K459 HydrophobicContact CG1-CD 4.45Å; V457-K459 HydrophobicContact CG1-CG 3.72Å
460E96.1Very high93.4Very high49 Ų4956.4 Ų56.423%0.22928%0.276CS..EExtended strand (participates in β ladder)trans-81.7129.6166.1-169.2169-151.600109.9T72 E354 L356T72-E460 WeakPolarHBondContact CB-OE1 3.29Å; T72-E460 HydrophobicContact CG2-CG 4.05Å; T72-E460 PolarHBondContact OG1-OE1 2.78Å; E354-E460 PolarHBondContact O-N 3.41Å; L356-E460 HydrophobicContact CB-CG 4.46Å; L356-E460 HydrophobicContact CD1-CG 4.1Å; L356-E460 HydrophobicContact CG-CB 4.17Å; L356-E460 HydrophobicContact CG-CG 4.03Å; L356-E460 WeakPolarHBondContact CG-O 3.12Å; L356-E460 PolarHBondContact N-OE2 3.09Å
461M94.5Very high93.4Very high68 Ų6858.8 Ų58.834%0.33530%0.298SS..EExtended strand (participates in β ladder)trans-125.5156.4178.2-62.9-158.1-55.100110.6T72 T73 Q75 A463T72-M461 CarbonylContact C-O 3.59Å; T72-M461 VanDerWaalsContact CA-O 3.24Å; T72-M461 WeakPolarHBondContact CA-O 3.32Å; T72-M461 WeakPolarHBondContact CB-O 3.28Å; T73-M461 HydrophobicContact CG2-CB 4.09Å; T73-M461 HydrophobicContact CG2-CE 4.44Å; T73-M461 PolarHBondContact N-O 3.26Å; T73-M461 PolarHBondContact O-N 3.09Å; Q75-M461 HydrophobicContact CB-CE 3.99Å; Q75-M461 HydrophobicContact CB-SD 4.41Å; Q75-M461 VanDerWaalsContact OE1-CE 3.32Å; Q75-M461 PolarHBondContact OE1-SD 2.6Å; M461-A463 PolarHBondContact O-N 3.34Å
462Q94.8Very high93.6Very high67 Ų6756.7 Ų56.731%0.31329%0.29SS..EExtended strand (participates in β ladder)trans-65.8119.7171-54.2172.83.900108.5L356 Y360 Y464 Q465L356-Q462 HydrophobicContact CD1-CG 4.06Å; Y360-Q462 HydrophobicContact CD1-CB 4.39Å; Y360-Q462 HydrophobicContact CD1-CG 3.95Å; Y360-Q462 HydrophobicContact CD2-CG 4.27Å; Y360-Q462 HydrophobicContact CE1-CB 3.91Å; Y360-Q462 HydrophobicContact CE1-CG 3.62Å; Y360-Q462 HydrophobicContact CE2-CG 3.97Å; Y360-Q462 HydrophobicContact CG-CG 4.27Å; Q462-Y464 PolarHBondContact O-N 3.01Å; Q462-Q465 HydrophobicContact CB-CG 4.1Å
463A94.3Very high93.7Very high37 Ų3755.5 Ų55.531%0.30628%0.283SS..SBendtrans-67.4-21.6-179.700000112.3E71 T73 M461E71-A463 HydrophobicContact CB-CB 4.13Å; E71-A463 WeakPolarHBondContact O-CB 3.43Å; E71-A463 PolarHBondContact O-N 3.48Å; T73-A463 HydrophobicContact CG2-CB 4.33Å; M461-A463 PolarHBondContact O-N 3.34Å
464Y94Very high94Very high13 Ų1354.8 Ų54.85%0.05129%0.289CS..SBendtrans-139.998.9177.3-164.2-111.5000110.3L63 F67 Q462 N468 L469 D472L63-Y464 HydrophobicContact CD1-CE1 4.45Å; L63-Y464 VanDerWaalsContact CD1-OH 3.31Å; L63-Y464 WeakPolarHBondContact CD1-OH 3.5Å; F67-Y464 HydrophobicContact CB-CD1 4.1Å; F67-Y464 HydrophobicContact CB-CE1 4.31Å; F67-Y464 AromaticContact CD2-CD1 3.94Å; F67-Y464 HydrophobicContact CD2-CD1 3.94Å; F67-Y464 HydrophobicContact CD2-CE1 4.39Å; Q462-Y464 PolarHBondContact O-N 3.01Å; Y464-N468 HydrophobicContact CD2-CB 3.85Å; Y464-N468 HydrophobicContact CE2-CB 3.5Å; Y464-N468 PolarHBondContact OH-O 3.06Å; Y464-L469 HydrophobicContact CE1-CB 3.85Å; Y464-L469 HydrophobicContact CE1-CD1 4.1Å; Y464-L469 WeakPolarHBondContact OH-CA 3.34Å; Y464-L469 PolarHBondContact OH-N 2.94Å; Y464-D472 WeakPolarHBondContact OH-CB 3.31Å; Y464-D472 PolarHBondContact OH-OD2 3.32Å
465Q93.3Very high94.3Very high87 Ų8755.3 Ų55.341%0.40730%0.303SS..  trans-79.1160.6-176.7-68.1-177-33.800112.5Q462 V467 N468 L469Q462-Q465 HydrophobicContact CB-CG 4.1Å; Q465-V467 HydrophobicContact CB-CG2 3.99Å; Q465-V467 PolarHBondContact O-N 2.88Å; Q465-N468 WeakPolarHBondContact O-CB 3.41Å; Q465-N468 PolarHBondContact O-N 3.46Å; Q465-L469 PolarHBondContact O-N 3.49Å; Q465-L469 VanDerWaalsContact O-N 3.09Å
466W92.8Very high94.5Very high154 Ų15455.5 Ų55.558%0.58331%0.305SS*.Hα-helixtrans-53.5-37.1173.9179.4-105.1000113.5F67 N468 L469 M470F67-W466 HydrophobicContact CE1-CE3 4.4Å; F67-W466 HydrophobicContact CE2-CE3 4.35Å; F67-W466 AromaticContact CZ-CE3 3.86Å; F67-W466 HydrophobicContact CZ-CE3 3.86Å; F67-W466 HydrophobicContact CZ-CZ3 4.45Å; W466-N468 VanDerWaalsContact C-N 3.34Å; W466-N468 PolarHBondContact O-N 2.86Å; W466-L469 HydrophobicContact CE3-CD2 3.77Å; W466-L469 HydrophobicContact CH2-CD2 4.48Å; W466-L469 HydrophobicContact CZ3-CD2 3.62Å; W466-L469 WeakPolarHBondContact O-CB 3.39Å; W466-L469 PolarHBondContact O-N 3.41Å; W466-M470 HydrophobicContact CD2-CG 4.37Å; W466-M470 HydrophobicContact CH2-SD 4.24Å; W466-M470 HydrophobicContact CZ2-CG 4.04Å; W466-M470 HydrophobicContact CZ2-SD 3.68Å; W466-M470 WeakPolarHBondContact O-CG 3.4Å; W466-M470 PolarHBondContact O-N 2.96Å
467V94Very high94.4Very high95 Ų9555.6 Ų55.658%0.57631%0.306SS*.Hα-helixtrans-65.4-36.1177.4-64.30000112.3Q465 A471Q465-V467 HydrophobicContact CB-CG2 3.99Å; Q465-V467 PolarHBondContact O-N 2.88Å; V467-A471 WeakPolarHBondContact O-CB 3.38Å; V467-A471 PolarHBondContact O-N 3.39Å
468N93.6Very high94.4Very high67 Ų6756.9 Ų56.936%0.35832%0.32SS..Hα-helixtrans-68.1-44174.3-58.936.7000110.4Y464 Q465 W466 M470 A471 D472Y464-N468 HydrophobicContact CD2-CB 3.85Å; Y464-N468 HydrophobicContact CE2-CB 3.5Å; Y464-N468 PolarHBondContact OH-O 3.06Å; Q465-N468 WeakPolarHBondContact O-CB 3.41Å; Q465-N468 PolarHBondContact O-N 3.46Å; W466-N468 VanDerWaalsContact C-N 3.34Å; W466-N468 PolarHBondContact O-N 2.86Å; N468-M470 VanDerWaalsContact C-N 3.33Å; N468-M470 PolarHBondContact O-N 3.13Å; N468-A471 PolarHBondContact O-N 3Å; N468-D472 WeakPolarHBondContact O-CB 3.47Å; N468-D472 PolarHBondContact O-N 2.93Å
469L94.7Very high94.3Very high16 Ų1661.1 Ų61.18%0.08434%0.342CS..Hα-helixtrans-55.2-47.4175.3178.965.2000112L63 F67 Y464 Q465 W466 F473L63-L469 HydrophobicContact CD2-CD1 3.83Å; L63-L469 HydrophobicContact CG-CD1 3.84Å; F67-L469 HydrophobicContact CB-CD1 4.36Å; F67-L469 HydrophobicContact CB-CD2 4.36Å; F67-L469 HydrophobicContact CD1-CD2 3.94Å; F67-L469 HydrophobicContact CD2-CB 4.23Å; F67-L469 HydrophobicContact CD2-CD2 3.92Å; F67-L469 HydrophobicContact CE1-CD2 4.18Å; F67-L469 HydrophobicContact CE2-CD2 4.17Å; F67-L469 HydrophobicContact CG-CD2 3.81Å; F67-L469 HydrophobicContact CZ-CD2 4.3Å; Y464-L469 HydrophobicContact CE1-CB 3.85Å; Y464-L469 HydrophobicContact CE1-CD1 4.1Å; Y464-L469 WeakPolarHBondContact OH-CA 3.34Å; Y464-L469 PolarHBondContact OH-N 2.94Å; Q465-L469 PolarHBondContact O-N 3.49Å; Q465-L469 VanDerWaalsContact O-N 3.09Å; W466-L469 HydrophobicContact CE3-CD2 3.77Å; W466-L469 HydrophobicContact CH2-CD2 4.48Å; W466-L469 HydrophobicContact CZ3-CD2 3.62Å; W466-L469 WeakPolarHBondContact O-CB 3.39Å; W466-L469 PolarHBondContact O-N 3.41Å; L469-F473 WeakPolarHBondContact O-CB 3.29Å; L469-F473 PolarHBondContact O-N 3.07Å
470M93.1Very high94.1Very high89 Ų8962.4 Ų62.444%0.43835%0.345SS..Hα-helixtrans-67.6-37.1179.3-69.8-58.7-60.800112.8W466 N468 G474W466-M470 HydrophobicContact CD2-CG 4.37Å; W466-M470 HydrophobicContact CH2-SD 4.24Å; W466-M470 HydrophobicContact CZ2-CG 4.04Å; W466-M470 HydrophobicContact CZ2-SD 3.68Å; W466-M470 WeakPolarHBondContact O-CG 3.4Å; W466-M470 PolarHBondContact O-N 2.96Å; N468-M470 VanDerWaalsContact C-N 3.33Å; N468-M470 PolarHBondContact O-N 3.13Å; M470-G474 PolarHBondContact O-N 3.03Å
471A94.8Very high93.9Very high63 Ų6360.9 Ų60.952%0.52134%0.339SS..Hα-helixtrans-65.9-49.2176.200000111.8V467 N468 G474 G475V467-A471 WeakPolarHBondContact O-CB 3.38Å; V467-A471 PolarHBondContact O-N 3.39Å; N468-A471 PolarHBondContact O-N 3Å; A471-G474 PolarHBondContact O-N 3.14Å; A471-G475 PolarHBondContact O-N 3.48Å
472D95.9Very high93.7Very high70 Ų7058.2 Ų58.237%0.37433%0.329SS..Hα-helixtrans-67.8-37.5-179.9-75.5-4.1000111.6L63 Y464 N468 G475 Q476L63-D472 HydrophobicContact CD1-CB 4.07Å; L63-D472 HydrophobicContact CD2-CB 3.83Å; Y464-D472 WeakPolarHBondContact OH-CB 3.31Å; Y464-D472 PolarHBondContact OH-OD2 3.32Å; N468-D472 WeakPolarHBondContact O-CB 3.47Å; N468-D472 PolarHBondContact O-N 2.93Å; D472-G475 PolarHBondContact O-N 2.95Å; D472-Q476 WeakPolarHBondContact O-CB 3.42Å; D472-Q476 VanDerWaalsContact O-CG 3.29Å; D472-Q476 WeakPolarHBondContact O-CG 3.22Å; D472-Q476 PolarHBondContact O-N 3.17Å
473F94.3Very high93.5Very high69 Ų6957.2 Ų57.230%0.30333%0.325SS..Hα-helixtrans-60-49.7172.1173.6-111.1000112F56 L60 L469 G475 Q476 L477F56-F473 HydrophobicContact CZ-CD2 4.42Å; F56-F473 AromaticContact CZ-CE2 4Å; F56-F473 HydrophobicContact CZ-CE2 4Å; L60-F473 HydrophobicContact CD1-CD2 3.65Å; L60-F473 HydrophobicContact CD1-CE2 4.01Å; L60-F473 HydrophobicContact CD2-CE2 4.13Å; L469-F473 WeakPolarHBondContact O-CB 3.29Å; L469-F473 PolarHBondContact O-N 3.07Å; F473-G475 VanDerWaalsContact C-N 3.35Å; F473-G475 PolarHBondContact O-N 3.41Å; F473-Q476 PolarHBondContact O-N 3.35Å; F473-L477 HydrophobicContact CD1-CD1 4.1Å; F473-L477 HydrophobicContact CD2-CD1 4.42Å; F473-L477 HydrophobicContact CE1-CD1 3.51Å; F473-L477 HydrophobicContact CE2-CD1 3.9Å; F473-L477 HydrophobicContact CE2-CG 4.25Å; F473-L477 HydrophobicContact CZ-CD1 3.42Å; F473-L477 VanDerWaalsContact CZ-CD1 3.42Å; F473-L477 HydrophobicContact CZ-CG 4.25Å; F473-L477 WeakPolarHBondContact O-CB 3.49Å; F473-L477 PolarHBondContact O-N 3.47Å
474G93.8Very high93.4Very high37 Ų3757.9 Ų57.938%0.38133%0.327SS..Hα-helixtrans-62.3-41176.700000112.5M470 A471 L477 G478M470-G474 PolarHBondContact O-N 3.03Å; A471-G474 PolarHBondContact O-N 3.14Å; G474-L477 PolarHBondContact O-N 2.91Å; G474-G478 PolarHBondContact O-N 2.72Å
475G94.6Very high93.3Very high47 Ų4762.4 Ų62.449%0.48536%0.356SS..Hα-helixtrans-61.5-46.1175.300000112.9A471 D472 F473 G478 L479A471-G475 PolarHBondContact O-N 3.48Å; D472-G475 PolarHBondContact O-N 2.95Å; F473-G475 VanDerWaalsContact C-N 3.35Å; F473-G475 PolarHBondContact O-N 3.41Å; G475-G478 PolarHBondContact O-N 3.49Å; G475-L479 VanDerWaalsContact O-CB 3.27Å; G475-L479 WeakPolarHBondContact O-CB 3.2Å; G475-L479 PolarHBondContact O-N 2.99Å
476Q94.4Very high93.2Very high33 Ų3363.3 Ų63.315%0.15436%0.362CS..Hα-helixtrans-67.2-40.7177.7-71176.225.300112.5F56 D472 F473 L479 W480F56-Q476 HydrophobicContact CD2-CB 4Å; F56-Q476 HydrophobicContact CE2-CB 4.03Å; D472-Q476 WeakPolarHBondContact O-CB 3.42Å; D472-Q476 VanDerWaalsContact O-CG 3.29Å; D472-Q476 WeakPolarHBondContact O-CG 3.22Å; D472-Q476 PolarHBondContact O-N 3.17Å; F473-Q476 PolarHBondContact O-N 3.35Å; Q476-L479 PolarHBondContact O-N 2.9Å; Q476-W480 VanDerWaalsContact O-CD1 3.27Å; Q476-W480 PolarHBondContact O-N 2.7Å
477L92.5Very high93.1Very high23 Ų2356.1 Ų56.112%0.1234%0.336CS..Hα-helixtrans-61.7-45.8174.1-87.5177.9000112.3F56 F473 G474 M481 G482 I483F56-L477 HydrophobicContact CD1-CD2 4.42Å; F56-L477 HydrophobicContact CD2-CD2 4.4Å; F56-L477 HydrophobicContact CE1-CD2 3.69Å; F56-L477 HydrophobicContact CE1-CG 4.47Å; F56-L477 HydrophobicContact CE2-CB 4.38Å; F56-L477 HydrophobicContact CE2-CD2 3.67Å; F56-L477 HydrophobicContact CE2-CG 3.65Å; F56-L477 HydrophobicContact CZ-CD2 3.27Å; F56-L477 HydrophobicContact CZ-CG 3.57Å; F473-L477 HydrophobicContact CD1-CD1 4.1Å; F473-L477 HydrophobicContact CD2-CD1 4.42Å; F473-L477 HydrophobicContact CE1-CD1 3.51Å; F473-L477 HydrophobicContact CE2-CD1 3.9Å; F473-L477 HydrophobicContact CE2-CG 4.25Å; F473-L477 HydrophobicContact CZ-CD1 3.42Å; F473-L477 VanDerWaalsContact CZ-CD1 3.42Å; F473-L477 HydrophobicContact CZ-CG 4.25Å; F473-L477 WeakPolarHBondContact O-CB 3.49Å; F473-L477 PolarHBondContact O-N 3.47Å; G474-L477 PolarHBondContact O-N 2.91Å; L477-M481 WeakPolarHBondContact O-CB 3.17Å; L477-M481 PolarHBondContact O-N 2.87Å; L477-G482 PolarHBondContact O-N 3.4Å; L477-I483 HydrophobicContact CB-CB 4.41Å; L477-I483 HydrophobicContact CD1-CG2 4.46Å; L477-I483 HydrophobicContact CD2-CB 4.42Å; L477-I483 HydrophobicContact CD2-CD1 4.22Å; L477-I483 PolarHBondContact O-N 3.35Å
478G94.1Very high92.9Very high29 Ų2955.7 Ų55.730%0.29933%0.329SS..Hα-helixtrans-62.7-43.1176.900000112G474 G475 G482G474-G478 PolarHBondContact O-N 2.72Å; G475-G478 PolarHBondContact O-N 3.49Å; G478-G482 VanDerWaalsContact O-CA 3.25Å; G478-G482 WeakPolarHBondContact O-CA 3.38Å; G478-G482 PolarHBondContact O-N 3.32Å
479L93.8Very high92.8Very high130 Ų13057 Ų5768%0.68134%0.335SS*.Hα-helixtrans-65.7-52.4-179.7179.462.6000113G475 Q476G475-L479 VanDerWaalsContact O-CB 3.27Å; G475-L479 WeakPolarHBondContact O-CB 3.2Å; G475-L479 PolarHBondContact O-N 2.99Å; Q476-L479 PolarHBondContact O-N 2.9Å
480W93.9Very high92.6Very high67 Ų6758.1 Ų58.125%0.25434%0.34SS..Hα-helixtrans-83.3-33.4-171.8-71.1112.1000113.9S52 I55 F56 Q476S52-W480 WeakPolarHBondContact CB-O 3.29Å; I55-W480 HydrophobicContact CB-CE3 4.48Å; I55-W480 HydrophobicContact CB-CH2 4.17Å; I55-W480 HydrophobicContact CB-CZ2 4.19Å; I55-W480 HydrophobicContact CB-CZ3 4.31Å; I55-W480 HydrophobicContact CD1-CH2 3.89Å; I55-W480 HydrophobicContact CD1-CZ3 3.85Å; I55-W480 HydrophobicContact CG2-CD2 4.41Å; I55-W480 HydrophobicContact CG2-CH2 3.64Å; I55-W480 HydrophobicContact CG2-CZ2 3.34Å; I55-W480 HydrophobicContact CG2-CZ3 4.26Å; F56-W480 HydrophobicContact CB-CB 3.88Å; F56-W480 HydrophobicContact CB-CG 3.95Å; Q476-W480 VanDerWaalsContact O-CD1 3.27Å; Q476-W480 PolarHBondContact O-N 2.7Å
481M90.9Very high92.5Very high18 Ų1857.3 Ų57.39%0.08934%0.34CS..Hα-helixtrans-121.2-8-170.3-59-62.2-63.200113.6H28 V49 F53 L477 I483H28-M481 PolarHBondContact N-O 3.15Å; V49-M481 HydrophobicContact CG1-CE 4.19Å; F53-M481 HydrophobicContact CB-CE 4.39Å; F53-M481 HydrophobicContact CB-SD 3.88Å; F53-M481 HydrophobicContact CD2-CE 4.1Å; F53-M481 HydrophobicContact CD2-SD 4.01Å; F53-M481 HydrophobicContact CG-SD 4.46Å; L477-M481 WeakPolarHBondContact O-CB 3.17Å; L477-M481 PolarHBondContact O-N 2.87Å; M481-I483 HydrophobicContact CB-CB 4.28Å; M481-I483 HydrophobicContact CB-CD1 3.56Å; M481-I483 HydrophobicContact CB-CG1 3.66Å; M481-I483 HydrophobicContact CG-CD1 4.16Å; M481-I483 PolarHBondContact O-N 2.96Å
482G90.6Very high92.4Very high12 Ų1259.7 Ų59.712%0.12434%0.343CS..  trans64.216.7-170.700000113.5L477 G478 S484L477-G482 PolarHBondContact O-N 3.4Å; G478-G482 VanDerWaalsContact O-CA 3.25Å; G478-G482 WeakPolarHBondContact O-CA 3.38Å; G478-G482 PolarHBondContact O-N 3.32Å; G482-S484 PolarHBondContact O-N 3.44Å
483I91.2Very high92.2Very high46 Ų4660.3 Ų60.324%0.23635%0.349CS..  trans-79.3125.1-175.4-70.7170.3000109.3L477 M481 T487 I488L477-I483 HydrophobicContact CB-CB 4.41Å; L477-I483 HydrophobicContact CD1-CG2 4.46Å; L477-I483 HydrophobicContact CD2-CB 4.42Å; L477-I483 HydrophobicContact CD2-CD1 4.22Å; L477-I483 PolarHBondContact O-N 3.35Å; M481-I483 HydrophobicContact CB-CB 4.28Å; M481-I483 HydrophobicContact CB-CD1 3.56Å; M481-I483 HydrophobicContact CB-CG1 3.66Å; M481-I483 HydrophobicContact CG-CD1 4.16Å; M481-I483 PolarHBondContact O-N 2.96Å; I483-T487 HydrophobicContact CG1-CG2 4.15Å; I483-I488 HydrophobicContact CG2-CG1 4.2Å
484S92.2Very high92Very high50 Ų5058.3 Ų58.335%0.3534%0.342SS..  trans-122.5176.8173.8700000110.9G482 I486 T487 I488G482-S484 PolarHBondContact O-N 3.44Å; S484-I486 PolarHBondContact O-N 3.41Å; S484-I486 PolarHBondContact OG-N 3.42Å; S484-T487 PolarHBondContact N-OG1 2.95Å; S484-T487 WeakPolarHBondContact O-CB 3.47Å; S484-T487 PolarHBondContact O-N 3.23Å; S484-T487 PolarHBondContact OG-N 3.41Å; S484-T487 PolarHBondContact OG-OG1 3.49Å; S484-I488 WeakPolarHBondContact O-CG1 3.33Å; S484-I488 PolarHBondContact O-N 3.43Å
485V90.8Very high91.9Very high108 Ų10858.7 Ų58.766%0.65534%0.341SS*.Hα-helixtrans-52-36.11691490000112.3I488 I489V485-I488 PolarHBondContact O-N 3Å; V485-I489 HydrophobicContact CG1-CD1 4.12Å; V485-I489 WeakPolarHBondContact O-CG1 3.38Å; V485-I489 PolarHBondContact O-N 3.23Å; V485-I489 VanDerWaalsContact O-N 3.14Å
486I90.8Very high91.8Very high107 Ų10763.1 Ų63.155%0.54934%0.344SS..Hα-helixtrans-65.5-45.2178-55.9177.3000109.9S484 I488 I489 E490S484-I486 PolarHBondContact O-N 3.41Å; S484-I486 PolarHBondContact OG-N 3.42Å; I486-I488 VanDerWaalsContact C-N 3.31Å; I486-I488 PolarHBondContact O-N 3.23Å; I486-I489 WeakPolarHBondContact O-CB 3.46Å; I486-I489 PolarHBondContact O-N 2.86Å; I486-I489 VanDerWaalsContact O-N 3.09Å; I486-E490 WeakPolarHBondContact O-CG 3.45Å; I486-E490 PolarHBondContact O-N 3.01Å
487T91.1Very high91.6Very high3 Ų364.4 Ų64.42%0.01835%0.35CS..Hα-helixtrans-62.2-36.7177.8-34.20000112.3T26 A27 I483 S484 E490 V491T26-T487 WeakPolarHBondContact OG1-CA 3.42Å; T26-T487 WeakPolarHBondContact OG1-CB 3.4Å; T26-T487 PolarHBondContact OG1-OG1 3.09Å; A27-T487 HydrophobicContact CB-CG2 3.79Å; I483-T487 HydrophobicContact CG1-CG2 4.15Å; S484-T487 PolarHBondContact N-OG1 2.95Å; S484-T487 WeakPolarHBondContact O-CB 3.47Å; S484-T487 PolarHBondContact O-N 3.23Å; S484-T487 PolarHBondContact OG-N 3.41Å; S484-T487 PolarHBondContact OG-OG1 3.49Å; T487-E490 WeakPolarHBondContact O-CB 3.49Å; T487-E490 PolarHBondContact O-N 3.47Å; T487-V491 WeakPolarHBondContact O-CG2 3.37Å; T487-V491 PolarHBondContact O-N 3.13Å
488I89.8Confident91.4Very high86 Ų8666 Ų6644%0.44136%0.356SS..Hα-helixtrans-63.5-43.1173.9-64170.7000110.3I483 S484 V485 I486 V491 L492I483-I488 HydrophobicContact CG2-CG1 4.2Å; S484-I488 WeakPolarHBondContact O-CG1 3.33Å; S484-I488 PolarHBondContact O-N 3.43Å; V485-I488 PolarHBondContact O-N 3Å; I486-I488 VanDerWaalsContact C-N 3.31Å; I486-I488 PolarHBondContact O-N 3.23Å; I488-V491 PolarHBondContact O-N 2.67Å; I488-L492 HydrophobicContact CG2-CD1 4.3Å; I488-L492 WeakPolarHBondContact O-CG 3.49Å; I488-L492 PolarHBondContact O-N 2.93Å
489I92.5Very high91.2Very high95 Ų9570 Ų7049%0.48737%0.37SS..Hα-helixtrans-63.5-42.8176.4-65.7163.3000111V485 I486 V491 L492 V493V485-I489 HydrophobicContact CG1-CD1 4.12Å; V485-I489 WeakPolarHBondContact O-CG1 3.38Å; V485-I489 PolarHBondContact O-N 3.23Å; V485-I489 VanDerWaalsContact O-N 3.14Å; I486-I489 WeakPolarHBondContact O-CB 3.46Å; I486-I489 PolarHBondContact O-N 2.86Å; I486-I489 VanDerWaalsContact O-N 3.09Å; I489-V491 VanDerWaalsContact C-N 3.32Å; I489-V491 PolarHBondContact O-N 2.89Å; I489-L492 PolarHBondContact O-N 3.48Å; I489-V493 WeakPolarHBondContact O-CG2 3.27Å; I489-V493 PolarHBondContact O-N 3.44Å
490E90.7Very high91Very high39 Ų3967.9 Ų67.918%0.18236%0.355CS..Hα-helixtrans-56.7-44.4173.9-65.5161-162.700112.1F21 T25 T26 I486 T487 V493 L494F21-E490 HydrophobicContact CE2-CB 4Å; T25-E490 WeakPolarHBondContact CA-OE2 3.35Å; T25-E490 WeakPolarHBondContact CB-OE2 3.39Å; T25-E490 PolarHBondContact OG1-OE2 3.01Å; T26-E490 WeakPolarHBondContact CB-OE1 3.41Å; T26-E490 VanDerWaalsContact CG2-OE1 3.23Å; T26-E490 WeakPolarHBondContact CG2-OE1 3.48Å; T26-E490 PolarHBondContact N-OE1 3.33Å; T26-E490 PolarHBondContact N-OE2 3.12Å; T26-E490 VanDerWaalsContact OG1-CD 3.26Å; T26-E490 PolarHBondContact OG1-OE1 2.77Å; T26-E490 PolarHBondContact OG1-OE2 2.91Å; I486-E490 WeakPolarHBondContact O-CG 3.45Å; I486-E490 PolarHBondContact O-N 3.01Å; T487-E490 WeakPolarHBondContact O-CB 3.49Å; T487-E490 PolarHBondContact O-N 3.47Å; E490-V493 PolarHBondContact O-N 3.38Å; E490-L494 PolarHBondContact O-N 3.03Å
491V89.1Confident90.6Very high71 Ų7166.7 Ų66.743%0.4335%0.353SS..Hα-helixtrans-66.7-37.3178.3170.70000111.6F21 T487 I488 I489 L494 A495F21-V491 HydrophobicContact CE2-CG2 4.08Å; F21-V491 HydrophobicContact CZ-CG2 3.75Å; T487-V491 WeakPolarHBondContact O-CG2 3.37Å; T487-V491 PolarHBondContact O-N 3.13Å; I488-V491 PolarHBondContact O-N 2.67Å; I489-V491 VanDerWaalsContact C-N 3.32Å; I489-V491 PolarHBondContact O-N 2.89Å; V491-L494 PolarHBondContact O-N 3.46Å; V491-A495 WeakPolarHBondContact O-CB 3.3Å; V491-A495 PolarHBondContact O-N 3.44Å
492L92.7Very high90.2Very high114 Ų11469.8 Ų69.860%0.59738%0.376SS*.Hα-helixtrans-65.9-40.1174.5-70.5172.9000112I488 I489 A495 Y496I488-L492 HydrophobicContact CG2-CD1 4.3Å; I488-L492 WeakPolarHBondContact O-CG 3.49Å; I488-L492 PolarHBondContact O-N 2.93Å; I489-L492 PolarHBondContact O-N 3.48Å; L492-A495 PolarHBondContact O-N 3.38Å; L492-Y496 WeakPolarHBondContact O-CB 3.37Å; L492-Y496 PolarHBondContact O-N 3.22Å
493V91.9Very high90Very high82 Ų8272.8 Ų72.850%0.49739%0.394SS..Hα-helixtrans-62.9-44.2172.9172.50000110.8I489 E490 A495 Y496 E497I489-V493 WeakPolarHBondContact O-CG2 3.27Å; I489-V493 PolarHBondContact O-N 3.44Å; E490-V493 PolarHBondContact O-N 3.38Å; V493-A495 PolarHBondContact O-N 3.04Å; V493-Y496 WeakPolarHBondContact O-CB 3.43Å; V493-Y496 PolarHBondContact O-N 3.09Å; V493-E497 PolarHBondContact O-N 2.98Å
494L90.1Very high89.5Confident28 Ų2872.3 Ų72.315%0.14740%0.398CS..Hα-helixtrans-60.4-45.3175.2178.866.1000112.1L17 F21 E490 V491 Y496 E497 F498L17-L494 HydrophobicContact CB-CD1 4.42Å; F21-L494 HydrophobicContact CB-CD1 4.05Å; F21-L494 HydrophobicContact CB-CD2 4.15Å; F21-L494 HydrophobicContact CD1-CD2 3.93Å; F21-L494 HydrophobicContact CD2-CB 4.01Å; F21-L494 HydrophobicContact CD2-CD1 4.47Å; F21-L494 HydrophobicContact CD2-CD2 3.71Å; F21-L494 HydrophobicContact CD2-CG 4.26Å; F21-L494 HydrophobicContact CE1-CD2 4.26Å; F21-L494 HydrophobicContact CE2-CB 4.34Å; F21-L494 HydrophobicContact CE2-CD2 4.04Å; F21-L494 HydrophobicContact CG-CD1 4.38Å; F21-L494 HydrophobicContact CG-CD2 3.64Å; F21-L494 HydrophobicContact CG-CG 4.42Å; F21-L494 HydrophobicContact CZ-CD2 4.31Å; E490-L494 PolarHBondContact O-N 3.03Å; V491-L494 PolarHBondContact O-N 3.46Å; L494-Y496 VanDerWaalsContact C-N 3.29Å; L494-Y496 PolarHBondContact O-N 2.91Å; L494-E497 PolarHBondContact O-N 3.44Å; L494-F498 HydrophobicContact CD1-CD2 3.99Å; L494-F498 HydrophobicContact CD1-CE2 3.54Å; L494-F498 HydrophobicContact CD1-CZ 4.25Å; L494-F498 HydrophobicContact CD2-CE2 3.96Å; L494-F498 HydrophobicContact CG-CD2 3.82Å; L494-F498 HydrophobicContact CG-CE2 3.58Å; L494-F498 VanDerWaalsContact O-CD2 3.29Å; L494-F498 WeakPolarHBondContact O-CD2 3.47Å; L494-F498 PolarHBondContact O-N 2.93Å
495A91.3Very high88.8Confident44 Ų4473.3 Ų73.336%0.36440%0.395SS..Hα-helixtrans-61-39.3177.300000111.6V491 L492 V493 F498 L499V491-A495 WeakPolarHBondContact O-CB 3.3Å; V491-A495 PolarHBondContact O-N 3.44Å; L492-A495 PolarHBondContact O-N 3.38Å; V493-A495 PolarHBondContact O-N 3.04Å; A495-F498 PolarHBondContact O-N 3.25Å; A495-L499 WeakPolarHBondContact O-CG 3.44Å; A495-L499 PolarHBondContact O-N 2.97Å
496Y93.1Very high88.3Confident140 Ų14077.4 Ų77.455%0.54940%0.399SS..Hα-helixtrans-63.9-43.3174.6178.4-121.6000112.8L492 V493 L494 F498 L499 K500L492-Y496 WeakPolarHBondContact O-CB 3.37Å; L492-Y496 PolarHBondContact O-N 3.22Å; V493-Y496 WeakPolarHBondContact O-CB 3.43Å; V493-Y496 PolarHBondContact O-N 3.09Å; L494-Y496 VanDerWaalsContact C-N 3.29Å; L494-Y496 PolarHBondContact O-N 2.91Å; Y496-F498 VanDerWaalsContact C-N 3.35Å; Y496-F498 PolarHBondContact O-N 3.21Å; Y496-L499 PolarHBondContact O-N 3.33Å; Y496-K500 HydrophobicContact CE1-CD 4.47Å; Y496-K500 PolarHBondContact O-N 3.24Å; Y496-K500 WeakPolarHBondContact OH-CE 3.46Å
497E89.6Confident87.7Confident61 Ų6179.5 Ų79.529%0.28540%0.404SS..Hα-helixtrans-64.4-36.9173.8-67.7-53.3139.100112.6L17 V493 L494 K500 L501L17-E497 HydrophobicContact CD1-CB 4.22Å; L17-E497 HydrophobicContact CD2-CB 4.16Å; V493-E497 PolarHBondContact O-N 2.98Å; L494-E497 PolarHBondContact O-N 3.44Å; E497-K500 PolarHBondContact O-N 3.46Å; E497-K500 IonicContact OE1-NZ 3.04Å; E497-K500 PolarHBondContact OE1-NZ 2.96Å; E497-K500 WeakPolarHBondContact OE2-CD 3.32Å; E497-K500 IonicContact OE2-NZ 3.23Å; E497-K500 PolarHBondContact OE2-NZ 3.11Å; E497-L501 PolarHBondContact O-N 2.98Å; E497-L501 VanDerWaalsContact O-N 3.09Å
498F88.6Confident87.1Confident57 Ų5783.5 Ų83.525%0.2542%0.423CS..Hα-helixtrans-63.6-42.8171.1-82-57.1000112.7V14 L17 L18 L494 A495 Y496 K500 L501 C502V14-F498 HydrophobicContact CB-CE1 4.47Å; V14-F498 HydrophobicContact CG1-CE1 4.06Å; V14-F498 HydrophobicContact CG2-CE1 4.24Å; L17-F498 HydrophobicContact CB-CZ 4.47Å; L17-F498 HydrophobicContact CD1-CD1 4.26Å; L17-F498 HydrophobicContact CD1-CE1 4.15Å; L18-F498 HydrophobicContact CD2-CE2 4.16Å; L18-F498 HydrophobicContact CD2-CZ 3.78Å; L18-F498 HydrophobicContact CG-CZ 4Å; L494-F498 HydrophobicContact CD1-CD2 3.99Å; L494-F498 HydrophobicContact CD1-CE2 3.54Å; L494-F498 HydrophobicContact CD1-CZ 4.25Å; L494-F498 HydrophobicContact CD2-CE2 3.96Å; L494-F498 HydrophobicContact CG-CD2 3.82Å; L494-F498 HydrophobicContact CG-CE2 3.58Å; L494-F498 VanDerWaalsContact O-CD2 3.29Å; L494-F498 WeakPolarHBondContact O-CD2 3.47Å; L494-F498 PolarHBondContact O-N 2.93Å; A495-F498 PolarHBondContact O-N 3.25Å; Y496-F498 VanDerWaalsContact C-N 3.35Å; Y496-F498 PolarHBondContact O-N 3.21Å; F498-K500 VanDerWaalsContact C-N 3.34Å; F498-K500 PolarHBondContact O-N 2.92Å; F498-L501 PolarHBondContact O-N 3.23Å; F498-C502 PolarHBondContact O-N 3.1Å; F498-C502 PolarHBondContact O-SG 3.09Å; F498-C502 VanDerWaalsContact O-SG 3.41Å
499L90Very high86.3Confident111 Ų11186 Ų8658%0.58143%0.43SS*.Hα-helixtrans-60.6-42.6175.3-73.1170.6000111.2A495 Y496 L501 C502 C503A495-L499 WeakPolarHBondContact O-CG 3.44Å; A495-L499 PolarHBondContact O-N 2.97Å; Y496-L499 PolarHBondContact O-N 3.33Å; L499-L501 PolarHBondContact O-N 3.01Å; L499-C502 PolarHBondContact O-N 3.26Å; L499-C503 WeakPolarHBondContact O-CB 3.1Å; L499-C503 PolarHBondContact O-N 3.44Å; L499-C503 PolarHBondContact O-SG 3.23Å
500K89.5Confident85.5Confident87 Ų8786.2 Ų86.238%0.37843%0.432SS..Hα-helixtrans-56.7-47.3173.1-71.1-178.5-167165.10112.2Y496 E497 F498 C503 A504Y496-K500 HydrophobicContact CE1-CD 4.47Å; Y496-K500 PolarHBondContact O-N 3.24Å; Y496-K500 WeakPolarHBondContact OH-CE 3.46Å; E497-K500 PolarHBondContact O-N 3.46Å; E497-K500 IonicContact OE1-NZ 3.04Å; E497-K500 PolarHBondContact OE1-NZ 2.96Å; E497-K500 WeakPolarHBondContact OE2-CD 3.32Å; E497-K500 IonicContact OE2-NZ 3.23Å; E497-K500 PolarHBondContact OE2-NZ 3.11Å; F498-K500 VanDerWaalsContact C-N 3.34Å; F498-K500 PolarHBondContact O-N 2.92Å; K500-C503 PolarHBondContact O-N 3.23Å; K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 2.94Å
501L85.1Confident84.9Confident41 Ų4190.4 Ų90.422%0.21545%0.452CS..Hα-helixtrans-61.9-43.1177.6-73.1-175.2000112.2R13 V14 L17 E497 F498 L499 A504 K505R13-L501 HydrophobicContact CB-CD1 4.21Å; V14-L501 HydrophobicContact CG2-CD1 4.41Å; L17-L501 HydrophobicContact CD1-CD1 3.4Å; L17-L501 VanDerWaalsContact CD1-CD1 3.4Å; L17-L501 HydrophobicContact CD1-CG 4.25Å; L17-L501 HydrophobicContact CG-CD1 4.49Å; E497-L501 PolarHBondContact O-N 2.98Å; E497-L501 VanDerWaalsContact O-N 3.09Å; F498-L501 PolarHBondContact O-N 3.23Å; L499-L501 PolarHBondContact O-N 3.01Å; L501-A504 PolarHBondContact O-N 3.31Å; L501-K505 PolarHBondContact O-N 3.44Å
502C83.3Confident84Confident84 Ų8489.5 Ų89.557%0.56845%0.451SS*.Hα-helixtrans-63.7-42.5176.4-72.60000112.1F498 L499 K505 R506F498-C502 PolarHBondContact O-N 3.1Å; F498-C502 PolarHBondContact O-SG 3.09Å; F498-C502 VanDerWaalsContact O-SG 3.41Å; L499-C502 PolarHBondContact O-N 3.26Å; C502-K505 PolarHBondContact O-N 3.28Å; C502-R506 WeakPolarHBondContact O-CB 3.45Å; C502-R506 PolarHBondContact O-N 3.18Å
503C86Confident83.1Confident74 Ų7487.6 Ų87.650%0.544%0.442SS..Hα-helixtrans-65.1-40.3175.2-71.80000112.6L499 K500 R506 K507L499-C503 WeakPolarHBondContact O-CB 3.1Å; L499-C503 PolarHBondContact O-N 3.44Å; L499-C503 PolarHBondContact O-SG 3.23Å; K500-C503 PolarHBondContact O-N 3.23Å; C503-R506 PolarHBondContact O-N 3.04Å; C503-K507 WeakPolarHBondContact O-CG 3.46Å; C503-K507 PolarHBondContact O-N 3.44Å
504A82.3Confident82Confident37 Ų3789 Ų8931%0.30644%0.444SS..Hα-helixtrans-60.5-49.2174.700000110.9K500 L501 R506 K507 E508K500-A504 WeakPolarHBondContact O-CB 3.48Å; K500-A504 PolarHBondContact O-N 2.94Å; L501-A504 PolarHBondContact O-N 3.31Å; A504-R506 VanDerWaalsContact C-N 3.3Å; A504-R506 PolarHBondContact O-N 2.95Å; A504-K507 WeakPolarHBondContact O-CB 3.32Å; A504-K507 PolarHBondContact O-N 3.46Å; A504-K507 VanDerWaalsContact O-N 3.09Å; A504-E508 WeakPolarHBondContact O-CG 3.44Å; A504-E508 PolarHBondContact O-N 2.89Å
505K76.6Confident81.1Confident70 Ų7091.1 Ų91.130%0.30446%0.462SS..Hα-helixtrans-58.6-39.5175.5-118.5-173.2170.8176.90113.3D6 T10 L501 C502 K509D6-K505 VanDerWaalsContact OD2-CE 3.32Å; D6-K505 WeakPolarHBondContact OD2-CE 3.32Å; D6-K505 IonicContact OD2-NZ 3.24Å; T10-K505 HydrophobicContact CG2-CD 4.12Å; T10-K505 WeakPolarHBondContact OG1-CE 3.25Å; T10-K505 PolarHBondContact OG1-NZ 3.09Å; L501-K505 PolarHBondContact O-N 3.44Å; C502-K505 PolarHBondContact O-N 3.28Å; K505-K509 WeakPolarHBondContact O-CB 3.32Å; K505-K509 PolarHBondContact O-N 3.37Å
506R79.5Confident80Confident194 Ų19494.5 Ų94.573%0.73247%0.47SS*.Hα-helixtrans-66.2-38.9176.5-167.6175.3-178.2-178.40111.5C502 C503 A504 L510C502-R506 WeakPolarHBondContact O-CB 3.45Å; C502-R506 PolarHBondContact O-N 3.18Å; C503-R506 PolarHBondContact O-N 3.04Å; A504-R506 VanDerWaalsContact C-N 3.3Å; A504-R506 PolarHBondContact O-N 2.95Å; R506-L510 WeakPolarHBondContact O-CB 3.49Å; R506-L510 PolarHBondContact O-N 3.35Å
507K79.3Confident78.6Confident151 Ų15195.7 Ų95.766%0.65747%0.473SS*.Hα-helixtrans-64.5-47.8173.7-75.3-177.8175.7-175.60112.1C503 A504 K509 L510 Q511C503-K507 WeakPolarHBondContact O-CG 3.46Å; C503-K507 PolarHBondContact O-N 3.44Å; A504-K507 WeakPolarHBondContact O-CB 3.32Å; A504-K507 PolarHBondContact O-N 3.46Å; A504-K507 VanDerWaalsContact O-N 3.09Å; K507-K509 VanDerWaalsContact C-N 3.34Å; K507-K509 PolarHBondContact O-N 3.47Å; K507-L510 PolarHBondContact O-N 2.93Å; K507-Q511 WeakPolarHBondContact O-CG 3.29Å; K507-Q511 PolarHBondContact O-N 3.3Å
508E77.4Confident77.4Confident87 Ų87101.9 Ų101.941%0.40749%0.494SS..Hα-helixtrans-59.1-44.4177.6-71167.516700111.2A504 Q511 A512A504-E508 WeakPolarHBondContact O-CG 3.44Å; A504-E508 PolarHBondContact O-N 2.89Å; E508-Q511 PolarHBondContact O-N 2.97Å; E508-A512 PolarHBondContact O-N 2.93Å
509K73.6Confident76.1Confident138 Ų138102 Ų10260%0.650%0.502SS*.Hα-helixtrans-65.5-40.4175.5-168.7176.7178.2-175.50112.7K505 K507 Q511 A512 D513K505-K509 WeakPolarHBondContact O-CB 3.32Å; K505-K509 PolarHBondContact O-N 3.37Å; K507-K509 VanDerWaalsContact C-N 3.34Å; K507-K509 PolarHBondContact O-N 3.47Å; K509-Q511 VanDerWaalsContact C-N 3.33Å; K509-Q511 PolarHBondContact O-N 2.87Å; K509-A512 PolarHBondContact O-N 3.3Å; K509-D513 PolarHBondContact O-N 3.3Å
510L76.1Confident74.7Confident101 Ų101100.7 Ų100.753%0.52950%0.495SS..Hα-helixtrans-62.1-41.3175.3-130.580.9000111.7R506 K507 D513 M514R506-L510 WeakPolarHBondContact O-CB 3.49Å; R506-L510 PolarHBondContact O-N 3.35Å; K507-L510 PolarHBondContact O-N 2.93Å; L510-D513 PolarHBondContact O-N 3.4Å; L510-M514 WeakPolarHBondContact O-CB 3.19Å; L510-M514 VanDerWaalsContact O-CG 3.32Å; L510-M514 WeakPolarHBondContact O-CG 3.37Å; L510-M514 PolarHBondContact O-N 2.99Å
511Q77.8Confident72.9Confident127 Ų127104.8 Ų104.859%0.59351%0.509SS*.Hα-helixtrans-65.6-39.9176.6-74.3176.1-30.900111.8K507 E508 K509 M514 S515K507-Q511 WeakPolarHBondContact O-CG 3.29Å; K507-Q511 PolarHBondContact O-N 3.3Å; E508-Q511 PolarHBondContact O-N 2.97Å; K509-Q511 VanDerWaalsContact C-N 3.33Å; K509-Q511 PolarHBondContact O-N 2.87Å; Q511-M514 HydrophobicContact CG-CE 4.28Å; Q511-M514 PolarHBondContact O-N 3.1Å; Q511-S515 PolarHBondContact O-N 3.01Å; Q511-S515 PolarHBondContact O-OG 3.44Å
512A70.8Confident71.6Confident51 Ų51108.7 Ų108.742%0.42153%0.53SS..Hα-helixtrans-65.1-44.317400000112.6E508 K509 M514 S515 H516E508-A512 PolarHBondContact O-N 2.93Å; K509-A512 PolarHBondContact O-N 3.3Å; A512-M514 VanDerWaalsContact C-N 3.31Å; A512-M514 PolarHBondContact O-N 3.07Å; A512-S515 PolarHBondContact O-N 3Å; A512-S515 PolarHBondContact O-OG 3.34Å; A512-H516 WeakPolarHBondContact O-CB 3.41Å; A512-H516 PolarHBondContact O-N 3.04Å
513D73.6Confident70.4Confident75 Ų75111.8 Ų111.840%0.40154%0.541SS..Hα-helixtrans-65.1-35.2176.5-77-13.5000111.6K509 L510 R517K509-D513 PolarHBondContact O-N 3.3Å; L510-D513 PolarHBondContact O-N 3.4Å; D513-R517 WeakPolarHBondContact O-CB 3.45Å; D513-R517 PolarHBondContact O-N 3.09Å
514M69.5Low68.9Low111 Ų111111.6 Ų111.655%0.54754%0.54SS..Hα-helixtrans-69.2-41.2173.5-75-168.1-5700112.7L510 Q511 A512 R517 R518L510-M514 WeakPolarHBondContact O-CB 3.19Å; L510-M514 VanDerWaalsContact O-CG 3.32Å; L510-M514 WeakPolarHBondContact O-CG 3.37Å; L510-M514 PolarHBondContact O-N 2.99Å; Q511-M514 HydrophobicContact CG-CE 4.28Å; Q511-M514 PolarHBondContact O-N 3.1Å; A512-M514 VanDerWaalsContact C-N 3.31Å; A512-M514 PolarHBondContact O-N 3.07Å; M514-R517 PolarHBondContact O-N 3.36Å; M514-R518 PolarHBondContact O-N 3.01Å
515S70.9Confident67Low73 Ų73115.4 Ų115.451%0.5156%0.56SS.*Hα-helixtrans-68.9-38.3178.466.90000111.8Q511 A512 R518 S519Q511-S515 PolarHBondContact O-N 3.01Å; Q511-S515 PolarHBondContact O-OG 3.44Å; A512-S515 PolarHBondContact O-N 3Å; A512-S515 PolarHBondContact O-OG 3.34Å; S515-R518 PolarHBondContact O-N 3.01Å; S515-S519 PolarHBondContact O-N 3.22Å
516H68Low65.5Low114 Ų114118 Ų11853%0.52858%0.581SS.*Hα-helixtrans-65.7-38.7172.6-167-14.9000112A512 S519 I520A512-H516 WeakPolarHBondContact O-CB 3.41Å; A512-H516 PolarHBondContact O-N 3.04Å; H516-S519 PolarHBondContact O-N 3.38Å; H516-S519 PolarHBondContact O-OG 3.23Å; H516-I520 WeakPolarHBondContact ND1-CD1 3.28Å; H516-I520 WeakPolarHBondContact O-CG1 3.41Å; H516-I520 PolarHBondContact O-N 3.36Å
517R63.5Low63.7Low166 Ų166117.1 Ų117.163%0.62659%0.586SS**Hα-helixtrans-65.4-37.2174.9-125.5176.5-71.2-149.7-2.4112.3D513 M514 I520 Y521D513-R517 WeakPolarHBondContact O-CB 3.45Å; D513-R517 PolarHBondContact O-N 3.09Å; M514-R517 PolarHBondContact O-N 3.36Å; R517-I520 PolarHBondContact O-N 3.46Å; R517-Y521 PolarHBondContact O-N 2.93Å; R517-Y521 VanDerWaalsContact O-N 3.09Å
518R64.3Low61.9Low190 Ų190117.5 Ų117.572%0.71759%0.592SS**Hα-helixtrans-61.7-49171.2-78.8-174.5-178.7166.11111.9M514 S515 I520 Y521 D522M514-R518 PolarHBondContact O-N 3.01Å; S515-R518 PolarHBondContact O-N 3.01Å; R518-I520 PolarHBondContact O-N 3.26Å; R518-Y521 PolarHBondContact O-N 3.45Å; R518-D522 PolarHBondContact O-N 2.89Å
519S61.9Low60.3Low61 Ų61119.5 Ų119.543%0.42761%0.61SS.*Hα-helixtrans-66.8-23.6-179.383.40000113.8S515 H516S515-S519 PolarHBondContact O-N 3.22Å; H516-S519 PolarHBondContact O-N 3.38Å; H516-S519 PolarHBondContact O-OG 3.23Å
520I59.8Low58.9Low82 Ų82119.4 Ų119.442%0.42162%0.615SS.*Hα-helixtrans-71.4-46.9169.1-69.5165.7000109.9H516 R517 R518 N523 S524H516-I520 WeakPolarHBondContact ND1-CD1 3.28Å; H516-I520 WeakPolarHBondContact O-CG1 3.41Å; H516-I520 PolarHBondContact O-N 3.36Å; R517-I520 PolarHBondContact O-N 3.46Å; R518-I520 PolarHBondContact O-N 3.26Å; I520-N523 CarbonylContact O-C 3.57Å; I520-N523 PolarHBondContact O-N 3.02Å; I520-S524 VanDerWaalsContact O-CB 3.28Å; I520-S524 WeakPolarHBondContact O-CB 3.49Å; I520-S524 PolarHBondContact O-N 3.24Å; I520-S524 PolarHBondContact O-OG 3.03Å
521Y51.4Low57.4Low174 Ų174123.6 Ų123.668%0.68263%0.628SS**Hα-helixtrans-62.3-43.2178.9-99.6-90.5000112.9R517 R518 N523 S524R517-Y521 PolarHBondContact O-N 2.93Å; R517-Y521 VanDerWaalsContact O-N 3.09Å; R518-Y521 PolarHBondContact O-N 3.45Å; Y521-N523 PolarHBondContact O-N 2.63Å; Y521-S524 PolarHBondContact O-N 3.23Å
522D57.9Low55.8Low123 Ų123125 Ų12566%0.65864%0.639SS**Hα-helixtrans-63.6-25176.9-71.2-30.4000113R518R518-D522 PolarHBondContact O-N 2.89Å
523N59Low54.8Low148 Ų148130.6 Ų130.679%0.79166%0.656SS**THydrogen-bonded Turntrans-95.3-1.3173.9-85.3-4.6000113.9I520 Y521I520-N523 CarbonylContact O-C 3.57Å; I520-N523 PolarHBondContact O-N 3.02Å; Y521-N523 PolarHBondContact O-N 2.63Å
524S53.6Low53.7Low70 Ų70132.3 Ų132.349%0.4967%0.671SS.*  trans-110.214.2-174.9-57.70000113.5I520 Y521 V526I520-S524 VanDerWaalsContact O-CB 3.28Å; I520-S524 WeakPolarHBondContact O-CB 3.49Å; I520-S524 PolarHBondContact O-N 3.24Å; I520-S524 PolarHBondContact O-OG 3.03Å; Y521-S524 PolarHBondContact O-N 3.23Å; S524-V526 PolarHBondContact O-N 3.16Å
525T43.4Very low52.1Low118 Ų118133 Ų13372%0.72468%0.684SS**  trans-70.879.6172.947.90000111.2E527T525-E527 PolarHBondContact O-N 3.39Å
526V45Very low50.7Low123 Ų123135.3 Ų135.375%0.74570%0.7SS**  trans-67.6115.4158.4177.30000107.3S524 M528S524-V526 PolarHBondContact O-N 3.16Å; V526-M528 PolarHBondContact O-N 2.85Å
527E41.8Very low49.3Very low176 Ų176138.5 Ų138.582%0.82272%0.715SS**  trans-63.393.3170.2-74.4-173119.500110.4T525 T529T525-E527 PolarHBondContact O-N 3.39Å; E527-T529 PolarHBondContact O-N 3.08Å; E527-T529 VanDerWaalsContact O-N 3.08Å
528M40.6Very low48Very low159 Ų159139 Ų13978%0.78372%0.722SS**  trans-73.596.5160.1-78.6-159.8-68.700109V526 I530V526-M528 PolarHBondContact O-N 2.85Å; M528-I530 PolarHBondContact O-N 2.89Å
529T43.7Very low46.7Very low129 Ų129137.5 Ų137.579%0.79172%0.723SS**  trans-66.780.6169.531.80000110.9E527 K531E527-T529 PolarHBondContact O-N 3.08Å; E527-T529 VanDerWaalsContact O-N 3.08Å; T529-K531 PolarHBondContact O-N 3.36Å
530I45.4Very low45.1Very low136 Ų136141 Ų14170%0.69774%0.741SS**  trans-75.9115.5167.2-62.2179.2000108M528 I532M528-I530 PolarHBondContact O-N 2.89Å; I530-I532 PolarHBondContact O-N 2.83Å; I530-I532 VanDerWaalsContact O-N 3.16Å
531K44Very low44Very low189 Ų189143 Ų14382%0.82276%0.758SS**  trans-67.4110.2174.4-70.8-179178.2177.60109.8T529 H533T529-K531 PolarHBondContact O-N 3.36Å; K531-H533 PolarHBondContact O-N 3.06Å
532I43.1Very low43.1Very low158 Ų158140.2 Ų140.281%0.8176%0.759SS**  trans-77.3113.1175.2-61168.6000108.8I530I530-I532 PolarHBondContact O-N 2.83Å; I530-I532 VanDerWaalsContact O-N 3.16Å
533H49.6Very low42Very low168 Ų168140.8 Ų140.878%0.77876%0.762SS**PPolyproline II helixtrans-84.8134.3159-82.9-78.4000109.3K531K531-H533 PolarHBondContact O-N 3.06Å
534P51.2Low40.8Very low111 Ų111138.4 Ų138.472%0.72176%0.757SS**PPolyproline II helixtrans-73.1163.1-177.629.6-34.3000113
535P36.6Very low40.1Very low125 Ų125141.9 Ų141.981%0.81277%0.769SS**PPolyproline II helixtrans-97.1155.8-142.436-37.3000115.2
536S41.4Very low39.6Very low122 Ų122142.9 Ų142.985%0.85377%0.77SS**  trans-109.6132.8156.458.20000110.4
537Q37.2Very low39.2Very low181 Ų181144.2 Ų144.285%0.84677%0.773SS**  trans-74.8140.6175.6-61.1167.2-27.200110
538K37.8Very low38.9Very low177 Ų177139.1 Ų139.177%0.7776%0.761SS**  179135.2118.1-97.7164.9179.5-178.80114.9
539Q36.4Very low38.7Very low158 Ų158141.8 Ų141.874%0.73876%0.764SS**  trans63.3100.6139.3-68166.4-68.800120.4
540T29.3Very low38.4Very low133 Ų133140.3 Ų140.382%0.81676%0.755SS**  trans-14.6129.1130.845.60000118.2
541T35.4Very low37.9Very low124 Ų124140.6 Ų140.676%0.76176%0.758SS**  trans-176.7109.7134.328.10000106
542T31.9Very low37.5Very low116 Ų116140.2 Ų140.271%0.71276%0.759SS**  66.2151.499.3590000116.1
543D35.4Very low37.2Very low135 Ų135141.9 Ų141.972%0.72276%0.763SS**  trans90.286.6159.4-48.6-41.2000120.3
544S33.7Very low36.3Very low98 Ų98145 Ų14569%0.68577%0.769SS**  68.3167.7114.575.60000122.2
545I38.6Very low35.4Very low143 Ų143143.1 Ų143.173%0.73377%0.771SS**  trans80.4101.8170.8-54.8162.1000112.8
546N33.6Very low35.4Very low140 Ų140144.9 Ų144.975%0.74977%0.768SS**  72.5149.565.1-74.8-12.2000115
547N36.1Very low35.1Very low150 Ų150148 Ų14880%0.80277%0.771SS**  trans76.4145.8159.6-63.3-9.7000117.4
548A36.8Very low35.3Very low70 Ų70145.8 Ų145.858%0.57977%0.766SS**  cis-170-167.6-12.700000109.8
549Y35.4Very low35.3Very low214 Ų214144.9 Ų144.984%0.83977%0.769SS**  trans82.1137.8165.1-70.2-99.8000117.2
550T38.7Very low35.5Very low98 Ų98142.2 Ų142.260%0.60177%0.774SS**  cis-177.8159.6-20.225.60000106.2
551D34.1Very low36.1Very low143 Ų143145.9 Ų145.977%0.76580%0.797SS**  cis-162175.5-14.9-113.1-8.5000107.9
552E36.1Very low36.1Very low180 Ų180147 Ų14784%0.84180%0.798SS**  164.6120.8127.4-91177.8174.900113.9
553E35.4Very low36.3Very low193 Ų193148.6 Ų148.690%0.90280%0.803SS**  trans51.9128.6153.8-69.3-170.2133.600124.7
554Y30.5Very low36.4Very low233 Ų233149.3 Ų149.391%0.91481%0.808SS**  trans-90137.5172.1-128.4-104.7000110
555G33.4Very low36.5Very low73 Ų73152.4 Ų152.475%0.75382%0.815SS**  trans-126.6110.9169.500000111.1
556Q35.7Very low36.4Very low162 Ų162152.9 Ų152.976%0.75782%0.82SS**  trans-66.1135.9172.1-87.4163.3-103.700111
557M36.6Very low36.6Very low186 Ų186153.8 Ų153.892%0.91683%0.825SS**  trans-117.2104155.6-82.8-176.762.400107.9
558D40.5Very low36.6Very low135 Ų135154.1 Ų154.172%0.72283%0.826SS**  trans-73.4151.4165.7-79.8-54.5000110.6
559N38.2Very low36.6Very low158 Ų158160.5 Ų160.585%0.84585%0.845SS**  trans-71.1138.1-179-65.1-63.6000111.6
560A40.3Very low36.7Very low103 Ų103156.1 Ų156.185%0.85185%0.846SS**  trans-127.3122.3148.400000107.9
561T41.1Very low36.5Very low209 Ų209161.4 Ų161.4100%1.28287%0.868SS**  trans-129.40164.6-52.60000106.7

Retrieved 561 of 561 residues in 97 ms (Link to these results)

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