A0A3Q0KPL3_SCHMA Loading...

Kinesin-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 645 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
1M72.6Confident92.7Very high134 Ų13440.5 Ų40.566%0.6621%0.214SC*.  0124.50-175.8179.4-171.700107.2S383 A384M1-S383 CarbonylContact O-C 3.55Å; M1-S383 WeakPolarHBondContact O-CA 3.33Å; M1-A384 PolarHBondContact N-O 3.1Å; M1-A384 PolarHBondContact O-N 2.9Å
2E84.3Confident92.8Very high151 Ų15139.3 Ų39.371%0.70620%0.204SC*.EExtended strand (participates in β ladder)trans-89.2123.1172.1-67.2-173.3171.500108.7I381 N382E2-I381 HydrophobicContact CB-CG2 3.99Å; E2-I381 HydrophobicContact CG-CG2 4.48Å; E2-N382 WeakPolarHBondContact CA-O 3.42Å
3S87.3Confident92.7Very high32 Ų3241.2 Ų41.222%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-138.7140.1177.364.40000110.1N382S3-N382 PolarHBondContact N-O 2.83Å; S3-N382 PolarHBondContact O-N 2.86Å
4S93.1Very high92.3Very high61 Ų6141.9 Ų41.943%0.42722%0.223SC..EExtended strand (participates in β ladder)trans-67.9155.917145.60000111.7I6 I380S4-I6 PolarHBondContact O-N 3.06Å; S4-I380 CarbonylContact C-O 3.5Å; S4-I380 WeakPolarHBondContact CA-O 3.49Å
5V96.2Very high92Very high1 Ų143.3 Ų43.31%0.00623%0.234CC..PPolyproline II helixtrans-62.1123.9168.6174.10000108.7V7 T351 M353 I380V5-V7 HydrophobicContact CG1-CG2 4.38Å; V5-T351 HydrophobicContact CG1-CG2 4.19Å; V5-T351 HydrophobicContact CG2-CG2 4.41Å; V5-M353 HydrophobicContact CG1-CB 4.28Å; V5-I380 HydrophobicContact CG2-CB 3.81Å; V5-I380 HydrophobicContact CG2-CG2 3.96Å; V5-I380 PolarHBondContact N-O 2.95Å
6I98Very high91.7Very high57 Ų5752.3 Ų52.329%0.29227%0.271SS..EExtended strand (participates in β ladder)trans-76.9128.6177.6-62.3165.8000107.8S4 D54 T351 V352 M353S4-I6 PolarHBondContact O-N 3.06Å; I6-D54 HydrophobicContact CG2-CB 3.96Å; I6-T351 PolarHBondContact N-O 2.81Å; I6-V352 HydrophobicContact CB-CG2 3.98Å; I6-V352 HydrophobicContact CD1-CG2 4.24Å; I6-V352 HydrophobicContact CG2-CG1 4.43Å; I6-V352 HydrophobicContact CG2-CG2 4.29Å; I6-V352 CarbonylContact O-C 3.52Å; I6-V352 VanDerWaalsContact O-CA 3.28Å; I6-V352 WeakPolarHBondContact O-CA 3.32Å; I6-M353 PolarHBondContact O-N 2.79Å
7V98.4Very high91.4Very high0 Ų060.9 Ų60.90%030%0.299CS..EExtended strand (participates in β ladder)trans-117122.4-178.4-179.80000110.2V5 F53 D54 H55 M353 A374 A377V5-V7 HydrophobicContact CG1-CG2 4.38Å; V7-F53 HydrophobicContact CB-CD1 4.07Å; V7-F53 HydrophobicContact CG1-CD1 3.43Å; V7-F53 VanDerWaalsContact CG1-CD1 3.43Å; V7-F53 HydrophobicContact CG1-CE1 3.93Å; V7-F53 HydrophobicContact CG1-CG 4.25Å; V7-D54 PolarHBondContact N-OD2 3Å; V7-D54 PolarHBondContact O-N 3.31Å; V7-D54 VanDerWaalsContact O-N 3.07Å; V7-H55 PolarHBondContact O-N 3.32Å; V7-M353 HydrophobicContact CG2-CB 4.28Å; V7-A374 HydrophobicContact CG1-CB 3.76Å; V7-A377 HydrophobicContact CG2-CB 4.46Å
8A98.4Very high91.1Very high0 Ų058.3 Ų58.30%029%0.286CS..EExtended strand (participates in β ladder)trans-113.8137.117300000110.7H55 F57 I79 M353 L354 A355A8-H55 CarbonylContact C-O 3.51Å; A8-H55 VanDerWaalsContact CA-O 3.29Å; A8-H55 WeakPolarHBondContact CA-O 3.48Å; A8-H55 HydrophobicContact CB-CB 3.89Å; A8-F57 HydrophobicContact CB-CD2 4.36Å; A8-F57 HydrophobicContact CB-CE2 3.78Å; A8-I79 HydrophobicContact CB-CD1 4.37Å; A8-I79 HydrophobicContact CB-CG2 4.07Å; A8-M353 PolarHBondContact N-O 2.74Å; A8-L354 HydrophobicContact CB-CD1 4.04Å; A8-L354 CarbonylContact O-C 3.58Å; A8-A355 PolarHBondContact O-N 3.46Å
9V98.3Very high90.7Very high0 Ų058 Ų580%029%0.294CS..EExtended strand (participates in β ladder)trans-109.4129.4174.1178.20000110V35 F53 H55 T56 F57 A355 V357 L371V9-V35 HydrophobicContact CB-CG2 4.36Å; V9-V35 HydrophobicContact CG1-CG2 4.29Å; V9-F53 HydrophobicContact CB-CD2 4.33Å; V9-F53 HydrophobicContact CG2-CB 4.38Å; V9-F53 HydrophobicContact CG2-CD1 4.17Å; V9-F53 HydrophobicContact CG2-CD2 3.33Å; V9-F53 HydrophobicContact CG2-CE1 4.28Å; V9-F53 HydrophobicContact CG2-CE2 3.46Å; V9-F53 VanDerWaalsContact CG2-CE2 3.46Å; V9-F53 HydrophobicContact CG2-CG 3.7Å; V9-F53 HydrophobicContact CG2-CZ 3.94Å; V9-H55 PolarHBondContact N-O 2.63Å; V9-T56 CarbonylContact O-C 3.52Å; V9-T56 WeakPolarHBondContact O-CA 3.36Å; V9-F57 PolarHBondContact O-N 3.24Å; V9-A355 CarbonylContact C-O 3.59Å; V9-A355 VanDerWaalsContact CA-O 3.28Å; V9-A355 WeakPolarHBondContact CA-O 3.48Å; V9-A355 HydrophobicContact CG2-CB 4.13Å; V9-V357 HydrophobicContact CG1-CG2 4.01Å; V9-L371 HydrophobicContact CG1-CD2 3.81Å; V9-L371 HydrophobicContact CG2-CD2 3.83Å
10R97.2Very high90.4Very high10 Ų1061.9 Ų61.94%0.03832%0.315CS..EExtended strand (participates in β ladder)trans-119.5121.8173.9-173.6178.4-170.4175.38.9111.6F57 S59 Q72 S108 L354 A355 T356 V357R10-F57 WeakPolarHBondContact CA-O 3.2Å; R10-F57 HydrophobicContact CB-CB 4.04Å; R10-F57 HydrophobicContact CB-CD2 4.29Å; R10-F57 HydrophobicContact CG-CB 3.89Å; R10-S59 PolarHBondContact NE-OG 3.36Å; R10-Q72 VanDerWaalsContact NH2-OE1 3.11Å; R10-S108 WeakPolarHBondContact CD-OG 3.31Å; R10-S108 PolarHBondContact NH1-OG 2.83Å; R10-L354 HydrophobicContact CB-CD1 4.05Å; R10-A355 PolarHBondContact N-O 2.88Å; R10-T356 WeakPolarHBondContact O-CA 3.28Å; R10-V357 PolarHBondContact O-N 3.17Å
11V95.7Very high89.9Confident0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-92.5119.7171.6-173.20000108.2I27 I29 F57 W58 S59 V357 P359V11-I27 HydrophobicContact CG1-CD1 4.43Å; V11-I27 HydrophobicContact CG2-CG2 4.05Å; V11-I29 HydrophobicContact CG2-CD1 3.93Å; V11-F57 PolarHBondContact N-O 3.47Å; V11-W58 HydrophobicContact CB-CE3 3.96Å; V11-W58 HydrophobicContact CB-CZ3 4.24Å; V11-W58 HydrophobicContact CG1-CE3 4.16Å; V11-W58 HydrophobicContact CG1-CZ3 4Å; V11-W58 HydrophobicContact CG2-CE3 3.96Å; V11-W58 HydrophobicContact CG2-CZ3 4.13Å; V11-S59 WeakPolarHBondContact O-CB 3.47Å; V11-S59 PolarHBondContact O-N 3.17Å; V11-V357 HydrophobicContact CB-CG2 4.23Å; V11-V357 HydrophobicContact CG2-CG2 3.66Å; V11-P359 HydrophobicContact CG1-CB 3.99Å
12R94.1Very high89.8Confident26 Ų2664.1 Ų64.110%0.09833%0.33CS..PPolyproline II helixtrans-76.7162.7177.168.3157.5175.880.1-7.4112.1E18 S102 S103 V357 S358 P359R12-E18 IonicContact CZ-OE1 3.51Å; R12-E18 IonicContact CZ-OE2 2.7Å; R12-E18 IonicContact NH1-OE1 2.74Å; R12-E18 IonicContact NH1-OE2 2.76Å; R12-E18 PolarHBondContact NH1-OE2 2.93Å; R12-E18 IonicContact NH2-OE1 3.36Å; R12-E18 PolarHBondContact NH2-OE1 3.38Å; R12-E18 IonicContact NH2-OE2 3.2Å; R12-E18 PolarHBondContact NH2-OE2 3.47Å; R12-S102 WeakPolarHBondContact CD-O 3.34Å; R12-S102 PolarHBondContact NE-O 2.98Å; R12-S103 WeakPolarHBondContact CG-O 3.41Å; R12-V357 PolarHBondContact N-O 3.42Å; R12-S358 PolarHBondContact NH2-OG 3.48Å; R12-P359 WeakPolarHBondContact O-CD 3.17Å; R12-P359 VanDerWaalsContact O-CG 3.26Å; R12-P359 WeakPolarHBondContact O-CG 3.2Å
13P91Very high89.2Confident64 Ų6459 Ų5942%0.41631%0.307SS..PPolyproline II helixtrans-63.8159.8169.1-2.710.7000112.5S59 L60P13-S59 WeakPolarHBondContact CB-O 3.43Å; P13-S59 WeakPolarHBondContact CG-O 3.19Å; P13-L60 HydrophobicContact CB-CD1 4.4Å
14L88.1Confident88.9Confident50 Ų5064.4 Ų64.426%0.26233%0.329SS..PPolyproline II helixtrans-66.1135.3168.8-73.8164.8000109.8E18 A19 L60 P359L14-E18 HydrophobicContact CB-CB 4.39Å; L14-E18 HydrophobicContact CD2-CB 3.69Å; L14-A19 HydrophobicContact CB-CB 4.47Å; L14-L60 HydrophobicContact CB-CD1 4.1Å; L14-L60 HydrophobicContact CD1-CD1 4.09Å; L14-L60 HydrophobicContact CG-CD1 3.85Å; L14-L60 VanDerWaalsContact N-CD1 3.34Å; L14-P359 HydrophobicContact CD2-CB 4.21Å; L14-P359 HydrophobicContact CD2-CG 3.7Å; L14-P359 HydrophobicContact CG-CB 4.44Å; L14-P359 HydrophobicContact CG-CG 3.92Å
15T87.9Confident88.6Confident63 Ų6363.3 Ų63.339%0.38732%0.321SS..PPolyproline II helixtrans-70.7159.5170.1620000110.2R17 E18 A19T15-R17 PolarHBondContact O-N 3.01Å; T15-R17 VanDerWaalsContact O-N 3.15Å; T15-E18 WeakPolarHBondContact CB-OE2 3.49Å; T15-E18 WeakPolarHBondContact CG2-OE2 3.34Å; T15-E18 PolarHBondContact N-OE2 3.16Å; T15-E18 PolarHBondContact O-N 2.89Å; T15-E18 WeakPolarHBondContact OG1-CG 3.5Å; T15-E18 PolarHBondContact OG1-N 3.29Å; T15-E18 PolarHBondContact OG1-OE2 3.11Å; T15-A19 PolarHBondContact O-N 3.36Å
16K86.6Confident88.3Confident188 Ų18863.7 Ų63.782%0.81732%0.323SS*.Hα-helixtrans-51.4-40.6176.5-65-177.1179.2-179.10112.2L20K16-L20 WeakPolarHBondContact O-CB 3.19Å; K16-L20 WeakPolarHBondContact O-CD1 3.26Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 3.32Å
17R86Confident87.9Confident198 Ų19861 Ų6175%0.74731%0.31SS*.Hα-helixtrans-67-41.5178-176.2178.1177.1173.8-0.6112.7T15 N21T15-R17 PolarHBondContact O-N 3.01Å; T15-R17 VanDerWaalsContact O-N 3.15Å; R17-N21 PolarHBondContact O-N 3.15Å; R17-N21 PolarHBondContact O-ND2 2.73Å
18E87.2Confident87.5Confident15 Ų1565.8 Ų65.87%0.0733%0.332CS..Hα-helixtrans-69.5-39.6179.2-67.8162.2154.900111.6R12 L14 T15 N21 C360 H363R12-E18 IonicContact CZ-OE1 3.51Å; R12-E18 IonicContact CZ-OE2 2.7Å; R12-E18 IonicContact NH1-OE1 2.74Å; R12-E18 IonicContact NH1-OE2 2.76Å; R12-E18 PolarHBondContact NH1-OE2 2.93Å; R12-E18 IonicContact NH2-OE1 3.36Å; R12-E18 PolarHBondContact NH2-OE1 3.38Å; R12-E18 IonicContact NH2-OE2 3.2Å; R12-E18 PolarHBondContact NH2-OE2 3.47Å; L14-E18 HydrophobicContact CB-CB 4.39Å; L14-E18 HydrophobicContact CD2-CB 3.69Å; T15-E18 WeakPolarHBondContact CB-OE2 3.49Å; T15-E18 WeakPolarHBondContact CG2-OE2 3.34Å; T15-E18 PolarHBondContact N-OE2 3.16Å; T15-E18 PolarHBondContact O-N 2.89Å; T15-E18 WeakPolarHBondContact OG1-CG 3.5Å; T15-E18 PolarHBondContact OG1-N 3.29Å; T15-E18 PolarHBondContact OG1-OE2 3.11Å; E18-N21 PolarHBondContact O-N 2.74Å; E18-C360 HydrophobicContact CG-CB 4.2Å; E18-C360 WeakPolarHBondContact OE1-CB 3.35Å; E18-H363 IonicContact OE1-CE1 3.61Å; E18-H363 IonicContact OE1-ND1 3.97Å
19A83.3Confident87.2Confident52 Ų5265.8 Ų65.843%0.4333%0.332SS..Hα-helixtrans-64.3-42175.700000112.1L14 T15 N21 N22L14-A19 HydrophobicContact CB-CB 4.47Å; T15-A19 PolarHBondContact O-N 3.36Å; A19-N21 VanDerWaalsContact C-N 3.28Å; A19-N21 PolarHBondContact O-N 2.78Å; A19-N22 PolarHBondContact O-N 3.08Å
20L84Confident86.8Confident136 Ų13668.8 Ų68.871%0.71235%0.351SS*.Hα-helixtrans-63.5-31.8177.6-76.1165.7000113.3K16 N22K16-L20 WeakPolarHBondContact O-CB 3.19Å; K16-L20 WeakPolarHBondContact O-CD1 3.26Å; K16-L20 WeakPolarHBondContact O-CG 3.49Å; K16-L20 PolarHBondContact O-N 3.32Å; L20-N22 PolarHBondContact O-N 3.17Å
21N80.6Confident86.4Confident98 Ų9873.8 Ų73.852%0.52437%0.373SS..THydrogen-bonded Turntrans-80.64.4-179.5-70.9-20.5000113.5R17 E18 A19 L23R17-N21 PolarHBondContact O-N 3.15Å; R17-N21 PolarHBondContact O-ND2 2.73Å; E18-N21 PolarHBondContact O-N 2.74Å; A19-N21 VanDerWaalsContact C-N 3.28Å; A19-N21 PolarHBondContact O-N 2.78Å; N21-L23 HydrophobicContact CB-CD1 3.79Å; N21-L23 HydrophobicContact CB-CG 3.81Å; N21-L23 PolarHBondContact O-N 2.95Å; N21-L23 VanDerWaalsContact O-N 3.11Å
22N69.5Low86.2Confident145 Ų14578.4 Ų78.478%0.77540%0.403SS*.THydrogen-bonded Turntrans48.936.5-176.3-67.7-37000113.1A19 L20 Q24A19-N22 PolarHBondContact O-N 3.08Å; L20-N22 PolarHBondContact O-N 3.17Å; N22-Q24 PolarHBondContact O-N 3.02Å
23L73.1Confident86.1Confident43 Ų4377.5 Ų77.523%0.22540%0.403CS..  trans-72.1129.7-179.5-70163.6000109.5N21 C360 T362N21-L23 HydrophobicContact CB-CD1 3.79Å; N21-L23 HydrophobicContact CB-CG 3.81Å; N21-L23 PolarHBondContact O-N 2.95Å; N21-L23 VanDerWaalsContact O-N 3.11Å; L23-C360 VanDerWaalsContact CD1-SG 3.5Å; L23-T362 HydrophobicContact CD1-CG2 4.39Å; L23-T362 HydrophobicContact CD2-CG2 4.28Å
24Q80.1Confident86.3Confident145 Ų14574.8 Ų74.868%0.67839%0.385SS*.  trans-70.1143.4177.4-69.2-176.5-5.400110.5N22 P26 Q361N22-Q24 PolarHBondContact O-N 3.02Å; Q24-P26 VanDerWaalsContact O-CD 3.3Å; Q24-P26 WeakPolarHBondContact O-CD 3.32Å; Q24-Q361 WeakPolarHBondContact O-CB 3.29Å
25C87.2Confident86.6Confident38 Ų3872.4 Ų72.426%0.25737%0.372SS..  trans-82.5113.4172.3-175.30000109.5I27 P359C25-I27 PolarHBondContact O-N 3.26Å; C25-I27 PolarHBondContact SG-O 3.16Å; C25-I27 VanDerWaalsContact SG-O 3.39Å; C25-P359 WeakPolarHBondContact CA-O 3.22Å
26P89Confident86.9Confident10 Ų1071.2 Ų71.27%0.06536%0.362CS..  trans-815.2-18035.5-36.2000112.7Q24 V37 F38 P359 Y364Q24-P26 VanDerWaalsContact O-CD 3.3Å; Q24-P26 WeakPolarHBondContact O-CD 3.32Å; P26-V37 CarbonylContact O-C 3.58Å; P26-V37 WeakPolarHBondContact O-CA 3.27Å; P26-F38 WeakPolarHBondContact CB-O 3.35Å; P26-F38 PolarHBondContact O-N 3.2Å; P26-P359 WeakPolarHBondContact CD-O 3.24Å; P26-Y364 HydrophobicContact CB-CD2 4.27Å
27I91.2Very high87.2Confident1 Ų162.3 Ų62.31%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-114.5134-174.1-50.7175.7000109.1V11 C25 V35 H36 W58 V357 S358 T367V11-I27 HydrophobicContact CG1-CD1 4.43Å; V11-I27 HydrophobicContact CG2-CG2 4.05Å; C25-I27 PolarHBondContact O-N 3.26Å; C25-I27 PolarHBondContact SG-O 3.16Å; C25-I27 VanDerWaalsContact SG-O 3.39Å; I27-V35 HydrophobicContact CG2-CG1 3.78Å; I27-H36 WeakPolarHBondContact CA-O 3.46Å; I27-W58 HydrophobicContact CG2-CZ3 4.41Å; I27-W58 WeakPolarHBondContact O-CH2 3.44Å; I27-V357 HydrophobicContact CD1-CB 4.32Å; I27-V357 HydrophobicContact CD1-CG2 3.9Å; I27-S358 WeakPolarHBondContact CD1-O 3.31Å; I27-T367 HydrophobicContact CD1-CG2 3.58Å; I27-T367 HydrophobicContact CG1-CG2 4.1Å
28Q90.2Very high87.4Confident99 Ų9954.1 Ų54.146%0.46329%0.293SS..EExtended strand (participates in β ladder)trans-130.7151.9167.2-62.9-179.6-23.200110.2H36 F38Q28-H36 HydrophobicContact CB-CB 4.41Å; Q28-H36 PolarHBondContact N-O 2.97Å; Q28-H36 PolarHBondContact O-N 3.39Å; Q28-F38 HydrophobicContact CB-CE2 3.92Å; Q28-F38 VanDerWaalsContact CD-CE2 3.47Å; Q28-F38 HydrophobicContact CG-CD2 4.34Å; Q28-F38 HydrophobicContact CG-CE2 3.65Å; Q28-F38 HydrophobicContact CG-CZ 4.48Å
29I91.3Very high87.3Confident0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-122.283.1176-56.1-175.8000106.4V11 K31 V34 V35 T56 W58 N65 M67V11-I29 HydrophobicContact CG2-CD1 3.93Å; I29-K31 WeakPolarHBondContact CG2-O 3.3Å; I29-K31 PolarHBondContact O-N 3.28Å; I29-V34 WeakPolarHBondContact CA-O 3.41Å; I29-V34 VanDerWaalsContact CG2-O 3.31Å; I29-V34 WeakPolarHBondContact CG2-O 3.31Å; I29-V35 HydrophobicContact CG1-CG2 4.47Å; I29-T56 HydrophobicContact CG2-CG2 4.35Å; I29-T56 WeakPolarHBondContact CG2-OG1 3.09Å; I29-W58 HydrophobicContact CD1-CB 4.34Å; I29-W58 HydrophobicContact CD1-CE3 3.73Å; I29-W58 HydrophobicContact CD1-CZ3 4.49Å; I29-W58 HydrophobicContact CG1-CE3 3.89Å; I29-W58 HydrophobicContact CG1-CZ3 4.28Å; I29-N65 WeakPolarHBondContact CB-ND2 3.33Å; I29-N65 PolarHBondContact N-ND2 3.33Å; I29-N65 VanDerWaalsContact N-ND2 3.12Å; I29-N65 PolarHBondContact O-ND2 2.59Å; I29-N65 PolarHBondContact O-OD1 3.28Å; I29-M67 HydrophobicContact CB-CG 4.43Å; I29-M67 HydrophobicContact CG2-CG 4.05Å
30P88.8Confident87.1Confident63 Ų6355.6 Ų55.641%0.40930%0.295SS..EExtended strand (participates in β ladder)trans-65.2-27.2-172.325.9-36.3000113V34P30-V34 WeakPolarHBondContact CD-O 3.46Å; P30-V34 HydrophobicContact CG-CB 4.4Å; P30-V34 HydrophobicContact CG-CG1 4.06Å
31K89.9Confident86.6Confident115 Ų11556.3 Ų56.350%0.530%0.299SS..EExtended strand (participates in β ladder)trans-152.3158.9177.550.1174165.5164.80110.1I29 G33 V34I29-K31 WeakPolarHBondContact CG2-O 3.3Å; I29-K31 PolarHBondContact O-N 3.28Å; K31-G33 PolarHBondContact O-N 3Å; K31-V34 HydrophobicContact CD-CG2 4.01Å; K31-V34 HydrophobicContact CG-CB 3.79Å; K31-V34 HydrophobicContact CG-CG2 3.76Å; K31-V34 PolarHBondContact O-N 2.59Å
32P90.5Very high86Confident97 Ų9754.4 Ų54.463%0.6329%0.291SS*.THydrogen-bonded Turntrans-52.7134.5175.7-25.234.6000111.4V34 M67P32-V34 VanDerWaalsContact C-N 3.29Å; P32-V34 PolarHBondContact O-N 2.92Å; P32-M67 HydrophobicContact CG-CE 3.9Å; P32-M67 HydrophobicContact CG-SD 3.84Å
33G93.2Very high85.6Confident8 Ų857.3 Ų57.38%0.08230%0.296CS..THydrogen-bonded Turntrans82-11.2-178.200000115.5K31 Q52 F53 T56K31-G33 PolarHBondContact O-N 3Å; G33-Q52 CarbonylContact O-C 3.58Å; G33-Q52 VanDerWaalsContact O-CA 3.32Å; G33-Q52 WeakPolarHBondContact O-CA 3.49Å; G33-F53 WeakPolarHBondContact CA-O 3.17Å; G33-F53 PolarHBondContact O-N 2.97Å; G33-T56 PolarHBondContact N-OG1 3.01Å
34V95Very high85Confident7 Ų761.2 Ų61.24%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-113129-177.1-1770000111.8I29 P30 K31 P32 E50 F51 Q52I29-V34 WeakPolarHBondContact CA-O 3.41Å; I29-V34 VanDerWaalsContact CG2-O 3.31Å; I29-V34 WeakPolarHBondContact CG2-O 3.31Å; P30-V34 WeakPolarHBondContact CD-O 3.46Å; P30-V34 HydrophobicContact CG-CB 4.4Å; P30-V34 HydrophobicContact CG-CG1 4.06Å; K31-V34 HydrophobicContact CD-CG2 4.01Å; K31-V34 HydrophobicContact CG-CB 3.79Å; K31-V34 HydrophobicContact CG-CG2 3.76Å; K31-V34 PolarHBondContact O-N 2.59Å; P32-V34 VanDerWaalsContact C-N 3.29Å; P32-V34 PolarHBondContact O-N 2.92Å; V34-E50 HydrophobicContact CG1-CG 3.67Å; V34-F51 WeakPolarHBondContact CA-O 3.44Å; V34-Q52 HydrophobicContact CG2-CG 4.13Å
35V94.7Very high84.1Confident0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-119.3122.5178.2-176.20000108.9V9 I27 I29 V37 F51 F53 T56 L371V9-V35 HydrophobicContact CB-CG2 4.36Å; V9-V35 HydrophobicContact CG1-CG2 4.29Å; I27-V35 HydrophobicContact CG2-CG1 3.78Å; I29-V35 HydrophobicContact CG1-CG2 4.47Å; V35-V37 HydrophobicContact CG1-CG2 4.17Å; V35-F51 HydrophobicContact CB-CB 4.47Å; V35-F51 PolarHBondContact N-O 2.61Å; V35-F51 PolarHBondContact O-N 3.2Å; V35-F53 HydrophobicContact CB-CE2 4.34Å; V35-F53 HydrophobicContact CG2-CD2 3.92Å; V35-F53 HydrophobicContact CG2-CE2 4.07Å; V35-T56 HydrophobicContact CG2-CG2 3.57Å; V35-L371 HydrophobicContact CG1-CD1 4.01Å
36H93.8Very high83Confident38 Ų3862.5 Ų62.518%0.17633%0.33CS..EExtended strand (participates in β ladder)trans-101132.1171.9-75.5-175.1000109.5I27 Q28 F38 V48 E50I27-H36 WeakPolarHBondContact CA-O 3.46Å; Q28-H36 HydrophobicContact CB-CB 4.41Å; Q28-H36 PolarHBondContact N-O 2.97Å; Q28-H36 PolarHBondContact O-N 3.39Å; H36-F38 HydrophobicContact CB-CE2 3.85Å; H36-F38 HydrophobicContact CB-CZ 4.21Å; H36-V48 HydrophobicContact CB-CG1 3.7Å; H36-E50 IonicContact CD2-OE2 3.97Å; H36-E50 IonicContact CE1-OE2 3.35Å; H36-E50 IonicContact NE2-OE2 3.54Å; H36-E50 PolarHBondContact NE2-OE2 2.82Å
37V92.7Very high82.3Confident0 Ų066.1 Ų66.10%035%0.349CS..EExtended strand (participates in β ladder)trans-122.2119176.5179.50000109.5P26 V35 R49 F51 Y364 L371P26-V37 CarbonylContact O-C 3.58Å; P26-V37 WeakPolarHBondContact O-CA 3.27Å; V35-V37 HydrophobicContact CG1-CG2 4.17Å; V37-R49 PolarHBondContact N-O 3.29Å; V37-R49 PolarHBondContact O-N 3.35Å; V37-F51 HydrophobicContact CG2-CD2 4.48Å; V37-F51 HydrophobicContact CG2-CE2 4.41Å; V37-Y364 HydrophobicContact CG1-CD2 3.98Å; V37-Y364 HydrophobicContact CG1-CE2 3.49Å; V37-Y364 VanDerWaalsContact CG1-CE2 3.49Å; V37-L371 HydrophobicContact CG2-CD1 3.36Å
38F89.6Confident82.1Confident27 Ų2768.7 Ų68.712%0.11837%0.365CS..EExtended strand (participates in β ladder)trans-95.6129-177.4-62.2-93.6000110.1P26 Q28 H36 N45 V48 Y364P26-F38 WeakPolarHBondContact CB-O 3.35Å; P26-F38 PolarHBondContact O-N 3.2Å; Q28-F38 HydrophobicContact CB-CE2 3.92Å; Q28-F38 VanDerWaalsContact CD-CE2 3.47Å; Q28-F38 HydrophobicContact CG-CD2 4.34Å; Q28-F38 HydrophobicContact CG-CE2 3.65Å; Q28-F38 HydrophobicContact CG-CZ 4.48Å; H36-F38 HydrophobicContact CB-CE2 3.85Å; H36-F38 HydrophobicContact CB-CZ 4.21Å; F38-N45 HydrophobicContact CD1-CB 4.14Å; F38-N45 WeakPolarHBondContact CD1-OD1 3.42Å; F38-N45 HydrophobicContact CE1-CB 4.26Å; F38-V48 HydrophobicContact CD1-CG2 3.67Å; F38-V48 HydrophobicContact CE1-CB 4.31Å; F38-V48 HydrophobicContact CE1-CG1 4.13Å; F38-V48 HydrophobicContact CE1-CG2 3.3Å; F38-V48 HydrophobicContact CZ-CG1 4.12Å; F38-V48 HydrophobicContact CZ-CG2 4.07Å; F38-Y364 WeakPolarHBondContact O-CE2 3.28Å
39E85.9Confident82.2Confident62 Ų6267.6 Ų67.629%0.2936%0.356SS..PPolyproline II helixtrans-66.2125.6176.5-168.5161.7-145.400110.8V42 N47E39-V42 HydrophobicContact CB-CG2 4.2Å; E39-V42 HydrophobicContact CG-CG2 4.01Å; E39-N47 HydrophobicContact CB-CB 4.45Å; E39-N47 PolarHBondContact OE2-ND2 3.23Å
40P79Confident82.4Confident36 Ų3672.1 Ų72.123%0.23438%0.378CS..THydrogen-bonded Turntrans-61.6147.6179.922.6-32.8000112V42 Q361 Y364P40-V42 PolarHBondContact O-N 3.49Å; P40-Q361 HydrophobicContact CB-CG 3.6Å; P40-Q361 HydrophobicContact CG-CG 4.45Å; P40-Y364 VanDerWaalsContact CD-CE2 3.49Å; P40-Y364 HydrophobicContact CG-CD1 4.15Å; P40-Y364 HydrophobicContact CG-CD2 4.19Å; P40-Y364 HydrophobicContact CG-CG 3.9Å
41N73.5Confident82.7Confident150 Ų15070.1 Ų70.180%0.80236%0.363SS*.THydrogen-bonded Turntrans67.16.8174-51.3-41.3000116.5Q361N41-Q361 PolarHBondContact OD1-NE2 3.38Å
42V68.3Low83.1Confident58 Ų5869.5 Ų69.535%0.35236%0.361SS..  trans-94107.8172.7-1770000109.3E39 P40 N44E39-V42 HydrophobicContact CB-CG2 4.2Å; E39-V42 HydrophobicContact CG-CG2 4.01Å; P40-V42 PolarHBondContact O-N 3.49Å; V42-N44 PolarHBondContact O-N 3.48Å
43K61.6Low83.4Confident206 Ų20665.6 Ų65.690%0.89634%0.335SS*.THydrogen-bonded Turntrans-59.3-16.2-172.9-72.1-173.7177.6-178.60115.7
44N59.1Low83.6Confident126 Ų12669 Ų6967%0.67435%0.351SS*.THydrogen-bonded Turntrans-110.77.6-170.6-72-2.9000115.9V42 V46V42-N44 PolarHBondContact O-N 3.48Å; N44-V46 HydrophobicContact CB-CG2 3.56Å; N44-V46 PolarHBondContact O-N 2.84Å
45N61.5Low83.7Confident101 Ų10171.9 Ų71.954%0.5436%0.364SS..  trans49.118.6-176.4-78.5-12.3000114.7F38 N47 V48F38-N45 HydrophobicContact CD1-CB 4.14Å; F38-N45 WeakPolarHBondContact CD1-OD1 3.42Å; F38-N45 HydrophobicContact CE1-CB 4.26Å; N45-N47 PolarHBondContact O-N 3.36Å; N45-V48 VanDerWaalsContact O-CG2 3.24Å; N45-V48 WeakPolarHBondContact O-CG2 3.49Å
46V63.8Low83.8Confident109 Ų10972.9 Ų72.966%0.66137%0.37SS*.  trans-66.5-30.2-172.1173.50000111.2N44 V48N44-V46 HydrophobicContact CB-CG2 3.56Å; N44-V46 PolarHBondContact O-N 2.84Å; V46-V48 PolarHBondContact O-N 3.1Å
47N75.4Confident83.9Confident85 Ų8571.5 Ų71.546%0.45536%0.363SS..  trans-102.462.3-178.1-72.7-19.3000112E39 N45E39-N47 HydrophobicContact CB-CB 4.45Å; E39-N47 PolarHBondContact OE2-ND2 3.23Å; N45-N47 PolarHBondContact O-N 3.36Å
48V85.7Confident83.9Confident56 Ų5671.8 Ų71.834%0.33936%0.364SS..EExtended strand (participates in β ladder)trans-75.3124.1167.1-171.50000109.2H36 F38 N45 V46H36-V48 HydrophobicContact CB-CG1 3.7Å; F38-V48 HydrophobicContact CD1-CG2 3.67Å; F38-V48 HydrophobicContact CE1-CB 4.31Å; F38-V48 HydrophobicContact CE1-CG1 4.13Å; F38-V48 HydrophobicContact CE1-CG2 3.3Å; F38-V48 HydrophobicContact CZ-CG1 4.12Å; F38-V48 HydrophobicContact CZ-CG2 4.07Å; N45-V48 VanDerWaalsContact O-CG2 3.24Å; N45-V48 WeakPolarHBondContact O-CG2 3.49Å; V46-V48 PolarHBondContact O-N 3.1Å
49R92.5Very high84Confident75 Ų7570.7 Ų70.728%0.28336%0.36SS..EExtended strand (participates in β ladder)trans-98113.3171.8-61.5-177.1-172.2-162.33.7109.2V37 F51V37-R49 PolarHBondContact N-O 3.29Å; V37-R49 PolarHBondContact O-N 3.35Å; R49-F51 HydrophobicContact CB-CE2 3.97Å
50E95.1Very high84Confident96 Ų9668.3 Ų68.345%0.44935%0.349SS..EExtended strand (participates in β ladder)trans-90.4133.7176.5-177.8171.312900111.4V34 H36 Q52V34-E50 HydrophobicContact CG1-CG 3.67Å; H36-E50 IonicContact CD2-OE2 3.97Å; H36-E50 IonicContact CE1-OE2 3.35Å; H36-E50 IonicContact NE2-OE2 3.54Å; H36-E50 PolarHBondContact NE2-OE2 2.82Å; E50-Q52 PolarHBondContact OE1-NE2 2.93Å
51F97Very high83.7Confident21 Ų2172.6 Ų72.69%0.09237%0.37CS..EExtended strand (participates in β ladder)trans-124.3146.4169.1-61.7-91.2000110.1V34 V35 V37 R49 F53 L368 L371 R372 K375V34-F51 WeakPolarHBondContact CA-O 3.44Å; V35-F51 HydrophobicContact CB-CB 4.47Å; V35-F51 PolarHBondContact N-O 2.61Å; V35-F51 PolarHBondContact O-N 3.2Å; V37-F51 HydrophobicContact CG2-CD2 4.48Å; V37-F51 HydrophobicContact CG2-CE2 4.41Å; R49-F51 HydrophobicContact CB-CE2 3.97Å; F51-F53 HydrophobicContact CB-CD2 4.19Å; F51-F53 HydrophobicContact CB-CE2 3.31Å; F51-F53 HydrophobicContact CB-CZ 3.63Å; F51-F53 HydrophobicContact CD1-CZ 4.25Å; F51-F53 HydrophobicContact CG-CE2 4.21Å; F51-F53 HydrophobicContact CG-CZ 4.18Å; F51-L368 HydrophobicContact CE2-CD1 4Å; F51-L368 HydrophobicContact CZ-CD1 3.75Å; F51-L371 HydrophobicContact CD1-CB 4.13Å; F51-L371 HydrophobicContact CD2-CB 4.08Å; F51-L371 HydrophobicContact CD2-CD1 3.93Å; F51-L371 HydrophobicContact CE1-CB 4.1Å; F51-L371 HydrophobicContact CE2-CB 4.05Å; F51-L371 HydrophobicContact CE2-CD1 4.08Å; F51-L371 HydrophobicContact CG-CB 4.12Å; F51-L371 HydrophobicContact CZ-CB 4.07Å; F51-R372 HydrophobicContact CE1-CG 3.88Å; F51-R372 HydrophobicContact CZ-CG 3.94Å; F51-K375 HydrophobicContact CD1-CB 4.27Å
52Q97Very high83.4Confident101 Ų10169 Ų6947%0.47235%0.351SS..EExtended strand (participates in β ladder)trans-124129.5178-61.6-178-8.100109.8G33 V34 E50 K375G33-Q52 CarbonylContact O-C 3.58Å; G33-Q52 VanDerWaalsContact O-CA 3.32Å; G33-Q52 WeakPolarHBondContact O-CA 3.49Å; V34-Q52 HydrophobicContact CG2-CG 4.13Å; E50-Q52 PolarHBondContact OE1-NE2 2.93Å; Q52-K375 PolarHBondContact O-NZ 3.28Å
53F97.7Very high83.3Confident16 Ų1669.7 Ų69.77%0.0737%0.37CS..  trans-137.3165.3-175.1-58-69.1000110.6V7 V9 G33 V35 F51 L371 A374 K375V7-F53 HydrophobicContact CB-CD1 4.07Å; V7-F53 HydrophobicContact CG1-CD1 3.43Å; V7-F53 VanDerWaalsContact CG1-CD1 3.43Å; V7-F53 HydrophobicContact CG1-CE1 3.93Å; V7-F53 HydrophobicContact CG1-CG 4.25Å; V9-F53 HydrophobicContact CB-CD2 4.33Å; V9-F53 HydrophobicContact CG2-CB 4.38Å; V9-F53 HydrophobicContact CG2-CD1 4.17Å; V9-F53 HydrophobicContact CG2-CD2 3.33Å; V9-F53 HydrophobicContact CG2-CE1 4.28Å; V9-F53 HydrophobicContact CG2-CE2 3.46Å; V9-F53 VanDerWaalsContact CG2-CE2 3.46Å; V9-F53 HydrophobicContact CG2-CG 3.7Å; V9-F53 HydrophobicContact CG2-CZ 3.94Å; G33-F53 WeakPolarHBondContact CA-O 3.17Å; G33-F53 PolarHBondContact O-N 2.97Å; V35-F53 HydrophobicContact CB-CE2 4.34Å; V35-F53 HydrophobicContact CG2-CD2 3.92Å; V35-F53 HydrophobicContact CG2-CE2 4.07Å; F51-F53 HydrophobicContact CB-CD2 4.19Å; F51-F53 HydrophobicContact CB-CE2 3.31Å; F51-F53 HydrophobicContact CB-CZ 3.63Å; F51-F53 HydrophobicContact CD1-CZ 4.25Å; F51-F53 HydrophobicContact CG-CE2 4.21Å; F51-F53 HydrophobicContact CG-CZ 4.18Å; F53-L371 HydrophobicContact CE2-CD2 3.82Å; F53-L371 HydrophobicContact CZ-CB 4.24Å; F53-L371 HydrophobicContact CZ-CD2 3.95Å; F53-A374 HydrophobicContact CE1-CB 3.68Å; F53-A374 HydrophobicContact CZ-CB 4.16Å; F53-K375 HydrophobicContact CE1-CB 4.29Å
54D97.6Very high83.5Confident79 Ų7963.7 Ų63.742%0.42235%0.354SS..SBendtrans-69.4-40.4-178.7-54.3-75.8000111.6I6 V7I6-D54 HydrophobicContact CG2-CB 3.96Å; V7-D54 PolarHBondContact N-OD2 3Å; V7-D54 PolarHBondContact O-N 3.31Å; V7-D54 VanDerWaalsContact O-N 3.07Å
55H97.2Very high83.8Confident68 Ų6858.6 Ų58.632%0.31533%0.327SS..EExtended strand (participates in β ladder)trans-136.3146.2178.3-58.5-65.8000112.3V7 A8 V9 F57 T78V7-H55 PolarHBondContact O-N 3.32Å; A8-H55 CarbonylContact C-O 3.51Å; A8-H55 VanDerWaalsContact CA-O 3.29Å; A8-H55 WeakPolarHBondContact CA-O 3.48Å; A8-H55 HydrophobicContact CB-CB 3.89Å; V9-H55 PolarHBondContact N-O 2.63Å; H55-F57 HydrophobicContact CB-CE2 4.23Å; H55-F57 HydrophobicContact CB-CZ 4.11Å; H55-T78 HydrophobicContact CB-CG2 4.43Å
56T96.5Very high84.3Confident20 Ų2062.6 Ų62.612%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-133134.4173.851.80000110.3V9 I29 G33 V35V9-T56 CarbonylContact O-C 3.52Å; V9-T56 WeakPolarHBondContact O-CA 3.36Å; I29-T56 HydrophobicContact CG2-CG2 4.35Å; I29-T56 WeakPolarHBondContact CG2-OG1 3.09Å; G33-T56 PolarHBondContact N-OG1 3.01Å; V35-T56 HydrophobicContact CG2-CG2 3.57Å
57F96.1Very high84.9Confident10 Ų1059.6 Ų59.64%0.04432%0.321CS..EExtended strand (participates in β ladder)trans-124.8122.1-176.7-60-64000109.8A8 V9 R10 V11 H55 A70 V75 T78 I79 L354A8-F57 HydrophobicContact CB-CD2 4.36Å; A8-F57 HydrophobicContact CB-CE2 3.78Å; V9-F57 PolarHBondContact O-N 3.24Å; R10-F57 WeakPolarHBondContact CA-O 3.2Å; R10-F57 HydrophobicContact CB-CB 4.04Å; R10-F57 HydrophobicContact CB-CD2 4.29Å; R10-F57 HydrophobicContact CG-CB 3.89Å; V11-F57 PolarHBondContact N-O 3.47Å; H55-F57 HydrophobicContact CB-CE2 4.23Å; H55-F57 HydrophobicContact CB-CZ 4.11Å; F57-A70 HydrophobicContact CB-CB 3.6Å; F57-A70 HydrophobicContact CD1-CB 4.01Å; F57-A70 HydrophobicContact CG-CB 4.23Å; F57-V75 HydrophobicContact CB-CG2 4.32Å; F57-V75 HydrophobicContact CD1-CG2 3.94Å; F57-V75 HydrophobicContact CD2-CG1 4.41Å; F57-V75 HydrophobicContact CD2-CG2 4Å; F57-V75 HydrophobicContact CE1-CG2 4.22Å; F57-V75 HydrophobicContact CE2-CG1 4.09Å; F57-V75 HydrophobicContact CE2-CG2 4.25Å; F57-V75 HydrophobicContact CG-CG2 3.83Å; F57-V75 HydrophobicContact CZ-CB 4.5Å; F57-V75 HydrophobicContact CZ-CG1 4.43Å; F57-V75 HydrophobicContact CZ-CG2 4.37Å; F57-T78 HydrophobicContact CE1-CG2 4.09Å; F57-T78 HydrophobicContact CZ-CG2 3.73Å; F57-I79 HydrophobicContact CE2-CG2 4.38Å; F57-I79 HydrophobicContact CZ-CG2 4.28Å; F57-L354 HydrophobicContact CD2-CD1 4.47Å
58W93Very high85.2Confident6 Ų660 Ų602%0.02333%0.328CS..EExtended strand (participates in β ladder)trans-107107.5177.7-173.4-100.8000109.7V11 I27 I29 L60 N65 M67 H69 A70V11-W58 HydrophobicContact CB-CE3 3.96Å; V11-W58 HydrophobicContact CB-CZ3 4.24Å; V11-W58 HydrophobicContact CG1-CE3 4.16Å; V11-W58 HydrophobicContact CG1-CZ3 4Å; V11-W58 HydrophobicContact CG2-CE3 3.96Å; V11-W58 HydrophobicContact CG2-CZ3 4.13Å; I27-W58 HydrophobicContact CG2-CZ3 4.41Å; I27-W58 WeakPolarHBondContact O-CH2 3.44Å; I29-W58 HydrophobicContact CD1-CB 4.34Å; I29-W58 HydrophobicContact CD1-CE3 3.73Å; I29-W58 HydrophobicContact CD1-CZ3 4.49Å; I29-W58 HydrophobicContact CG1-CE3 3.89Å; I29-W58 HydrophobicContact CG1-CZ3 4.28Å; W58-L60 HydrophobicContact CD2-CB 4.35Å; W58-L60 HydrophobicContact CH2-CD2 4.13Å; W58-L60 HydrophobicContact CZ2-CB 3.83Å; W58-L60 HydrophobicContact CZ2-CD2 3.67Å; W58-L60 HydrophobicContact CZ2-CG 4.23Å; W58-L60 PolarHBondContact NE1-O 3.28Å; W58-N65 HydrophobicContact CD2-CB 4.11Å; W58-N65 HydrophobicContact CG-CB 4.34Å; W58-N65 HydrophobicContact CZ2-CB 3.92Å; W58-M67 HydrophobicContact CB-CB 4.07Å; W58-H69 WeakPolarHBondContact O-CA 3.21Å; W58-A70 PolarHBondContact O-N 2.81Å
59S90.8Very high85.3Confident3 Ų361.7 Ų61.72%0.02133%0.332CS..  trans-103.416.2178.1-56.60000112.6R10 V11 P13 A70R10-S59 PolarHBondContact NE-OG 3.36Å; V11-S59 WeakPolarHBondContact O-CB 3.47Å; V11-S59 PolarHBondContact O-N 3.17Å; P13-S59 WeakPolarHBondContact CB-O 3.43Å; P13-S59 WeakPolarHBondContact CG-O 3.19Å; S59-A70 PolarHBondContact OG-O 3Å
60L85.2Confident85.3Confident12 Ų1258.1 Ų58.16%0.06332%0.319CS..  trans-91.8118.3177.3-174.565000110.2P13 L14 W58 D62 P359P13-L60 HydrophobicContact CB-CD1 4.4Å; L14-L60 HydrophobicContact CB-CD1 4.1Å; L14-L60 HydrophobicContact CD1-CD1 4.09Å; L14-L60 HydrophobicContact CG-CD1 3.85Å; L14-L60 VanDerWaalsContact N-CD1 3.34Å; W58-L60 HydrophobicContact CD2-CB 4.35Å; W58-L60 HydrophobicContact CH2-CD2 4.13Å; W58-L60 HydrophobicContact CZ2-CB 3.83Å; W58-L60 HydrophobicContact CZ2-CD2 3.67Å; W58-L60 HydrophobicContact CZ2-CG 4.23Å; W58-L60 PolarHBondContact NE1-O 3.28Å; L60-D62 VanDerWaalsContact C-N 3.3Å; L60-D62 HydrophobicContact CD2-CB 4.4Å; L60-D62 WeakPolarHBondContact CD2-OD2 3.06Å; L60-D62 HydrophobicContact CG-CB 4.08Å; L60-D62 PolarHBondContact O-N 3.21Å; L60-P359 HydrophobicContact CD2-CB 4.48Å
61N73.4Confident85.3Confident127 Ų12755.9 Ų55.968%0.67931%0.314SS*.  trans-89.254.6-178.7-72.5-20.9000112.3H69N61-H69 PolarHBondContact OD1-CD2 2.87Å; N61-H69 VanDerWaalsContact OD1-CG 3.24Å
62D68.2Low85.2Confident74 Ų7455 Ų5540%0.39631%0.31SS..SBendtrans-106.6-8.6-17962.7-6000113.5L60 S64L60-D62 VanDerWaalsContact C-N 3.3Å; L60-D62 HydrophobicContact CD2-CB 4.4Å; L60-D62 WeakPolarHBondContact CD2-OD2 3.06Å; L60-D62 HydrophobicContact CG-CB 4.08Å; L60-D62 PolarHBondContact O-N 3.21Å; D62-S64 VanDerWaalsContact CG-CB 3.43Å; D62-S64 PolarHBondContact O-N 2.73Å; D62-S64 VanDerWaalsContact O-N 3.16Å; D62-S64 WeakPolarHBondContact OD1-CB 3.33Å; D62-S64 PolarHBondContact OD1-N 2.93Å; D62-S64 PolarHBondContact OD1-OG 2.93Å; D62-S64 WeakPolarHBondContact OD2-CB 3.42Å; D62-S64 PolarHBondContact OD2-OG 3.13Å
63G65.2Low85.2Confident73 Ų7353.5 Ų53.575%0.75330%0.303SS*.SBendtrans65.57.4-172.400000113.9N65G63-N65 PolarHBondContact O-N 3.24Å
64S65.1Low85.1Confident79 Ų7956.1 Ų56.155%0.55232%0.317SS*.  trans-73.1-17.4-178.373.60000112.7D62D62-S64 VanDerWaalsContact CG-CB 3.43Å; D62-S64 PolarHBondContact O-N 2.73Å; D62-S64 VanDerWaalsContact O-N 3.16Å; D62-S64 WeakPolarHBondContact OD1-CB 3.33Å; D62-S64 PolarHBondContact OD1-N 2.93Å; D62-S64 PolarHBondContact OD1-OG 2.93Å; D62-S64 WeakPolarHBondContact OD2-CB 3.42Å; D62-S64 PolarHBondContact OD2-OG 3.13Å
65N66.3Low85.1Confident20 Ų2052.4 Ų52.411%0.10730%0.297CS..SBendtrans-123.7142.7-175.1-159-30.5000110.4I29 W58 G63 M67I29-N65 WeakPolarHBondContact CB-ND2 3.33Å; I29-N65 PolarHBondContact N-ND2 3.33Å; I29-N65 VanDerWaalsContact N-ND2 3.12Å; I29-N65 PolarHBondContact O-ND2 2.59Å; I29-N65 PolarHBondContact O-OD1 3.28Å; W58-N65 HydrophobicContact CD2-CB 4.11Å; W58-N65 HydrophobicContact CG-CB 4.34Å; W58-N65 HydrophobicContact CZ2-CB 3.92Å; G63-N65 PolarHBondContact O-N 3.24Å; N65-M67 PolarHBondContact O-N 3.34Å; N65-M67 PolarHBondContact OD1-N 3.23Å
66H71.2Confident85.2Confident184 Ų18449.2 Ų49.285%0.85228%0.283SS*.SBendtrans-74.8-5.5178.4-60.6-65.8000113.4
67M76.4Confident85.3Confident46 Ų4652 Ų5223%0.22729%0.294CS..SBendtrans-76138.8179.3-71.9-7198.900112.2I29 P32 W58 N65I29-M67 HydrophobicContact CB-CG 4.43Å; I29-M67 HydrophobicContact CG2-CG 4.05Å; P32-M67 HydrophobicContact CG-CE 3.9Å; P32-M67 HydrophobicContact CG-SD 3.84Å; W58-M67 HydrophobicContact CB-CB 4.07Å; N65-M67 PolarHBondContact O-N 3.34Å; N65-M67 PolarHBondContact OD1-N 3.23Å
68P82.3Confident85.3Confident95 Ų9553.3 Ų53.362%0.61730%0.303SS*.PPolyproline II helixtrans-63.4146174.327.9-34.2000110.8A70P68-A70 PolarHBondContact O-N 2.82Å
69H88Confident85.6Confident90 Ų9053.2 Ų53.242%0.41730%0.303SS..BIsolated β-bridgetrans-59.7124.2177.6173.6-101.2000111.2W58 N61 S71W58-H69 WeakPolarHBondContact O-CA 3.21Å; N61-H69 PolarHBondContact OD1-CD2 2.87Å; N61-H69 VanDerWaalsContact OD1-CG 3.24Å; H69-S71 PolarHBondContact O-N 2.9Å
70A92.4Very high85.9Confident1 Ų153 Ų531%0.00830%0.302CS..  trans-84.899.7179.700000111.9F57 W58 S59 P68 L74F57-A70 HydrophobicContact CB-CB 3.6Å; F57-A70 HydrophobicContact CD1-CB 4.01Å; F57-A70 HydrophobicContact CG-CB 4.23Å; W58-A70 PolarHBondContact O-N 2.81Å; S59-A70 PolarHBondContact OG-O 3Å; P68-A70 PolarHBondContact O-N 2.82Å; A70-L74 HydrophobicContact CB-CD2 4.24Å
71S93.9Very high86.6Confident48 Ų4854.9 Ų54.934%0.33631%0.309SS..  trans-71.8163.8170.866.90000112.1H69 E73 L74 V75H69-S71 PolarHBondContact O-N 2.9Å; S71-E73 PolarHBondContact O-N 2.85Å; S71-L74 PolarHBondContact O-N 3.3Å; S71-L74 PolarHBondContact OG-N 3.26Å; S71-L74 VanDerWaalsContact OG-N 3.16Å; S71-V75 WeakPolarHBondContact O-CG2 3.33Å; S71-V75 PolarHBondContact O-N 2.83Å; S71-V75 VanDerWaalsContact O-N 3.11Å
72Q95.6Very high87.7Confident2 Ų251.6 Ų51.61%0.00930%0.295CS..Hα-helixtrans-57.1-38.6172.4-66.2-78.857.600112.3R10 V75 Y76 Y107 D115 P116R10-Q72 VanDerWaalsContact NH2-OE1 3.11Å; Q72-V75 PolarHBondContact O-N 3.06Å; Q72-Y76 WeakPolarHBondContact O-CB 3.42Å; Q72-Y76 PolarHBondContact O-N 3.25Å; Q72-Y107 VanDerWaalsContact CD-CE1 3.45Å; Q72-Y107 HydrophobicContact CG-CE1 3.98Å; Q72-Y107 PolarHBondContact NE2-O 2.75Å; Q72-D115 WeakPolarHBondContact CB-OD1 3.38Å; Q72-D115 WeakPolarHBondContact CG-OD1 3.38Å; Q72-D115 WeakPolarHBondContact CG-OD2 3.5Å; Q72-D115 PolarHBondContact NE2-O 2.77Å; Q72-P116 WeakPolarHBondContact CB-O 3.41Å
73E96.3Very high89.1Confident71 Ų7148.3 Ų48.333%0.33228%0.278SS..Hα-helixtrans-61.7-47.2176.8-176.958.9-156.100111.1S71 V75 Y76 Q77 R121S71-E73 PolarHBondContact O-N 2.85Å; E73-V75 VanDerWaalsContact C-N 3.34Å; E73-V75 PolarHBondContact O-N 3.47Å; E73-Y76 PolarHBondContact O-N 2.97Å; E73-Q77 HydrophobicContact CG-CG 4.29Å; E73-Q77 WeakPolarHBondContact O-CB 3.4Å; E73-Q77 WeakPolarHBondContact O-CG 3.37Å; E73-Q77 PolarHBondContact O-N 3.2Å; E73-Q77 WeakPolarHBondContact OE1-CG 3.39Å; E73-Q77 PolarHBondContact OE1-NE2 3.12Å; E73-R121 WeakPolarHBondContact OE2-CD 3.33Å; E73-R121 IonicContact OE2-CZ 3.57Å; E73-R121 IonicContact OE2-NE 2.73Å; E73-R121 IonicContact OE2-NH1 3.76Å; E73-R121 PolarHBondContact OE2-NH1 2.77Å
74L96.5Very high90.7Very high71 Ų7144.9 Ų44.937%0.37224%0.242SC..Hα-helixtrans-60.8-44.2178.5-178.764.4000111.7A70 S71 T78A70-L74 HydrophobicContact CB-CD2 4.24Å; S71-L74 PolarHBondContact O-N 3.3Å; S71-L74 PolarHBondContact OG-N 3.26Å; S71-L74 VanDerWaalsContact OG-N 3.16Å; L74-T78 WeakPolarHBondContact O-CB 3.45Å; L74-T78 PolarHBondContact O-N 3.1Å; L74-T78 PolarHBondContact O-OG1 3.3Å
75V97.8Very high92.3Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-61-48.3177.3176.80000109.9F57 S71 Q72 E73 T78 I79 I118F57-V75 HydrophobicContact CB-CG2 4.32Å; F57-V75 HydrophobicContact CD1-CG2 3.94Å; F57-V75 HydrophobicContact CD2-CG1 4.41Å; F57-V75 HydrophobicContact CD2-CG2 4Å; F57-V75 HydrophobicContact CE1-CG2 4.22Å; F57-V75 HydrophobicContact CE2-CG1 4.09Å; F57-V75 HydrophobicContact CE2-CG2 4.25Å; F57-V75 HydrophobicContact CG-CG2 3.83Å; F57-V75 HydrophobicContact CZ-CB 4.5Å; F57-V75 HydrophobicContact CZ-CG1 4.43Å; F57-V75 HydrophobicContact CZ-CG2 4.37Å; S71-V75 WeakPolarHBondContact O-CG2 3.33Å; S71-V75 PolarHBondContact O-N 2.83Å; S71-V75 VanDerWaalsContact O-N 3.11Å; Q72-V75 PolarHBondContact O-N 3.06Å; E73-V75 VanDerWaalsContact C-N 3.34Å; E73-V75 PolarHBondContact O-N 3.47Å; V75-T78 PolarHBondContact O-N 3.33Å; V75-I79 HydrophobicContact CG1-CD1 4.03Å; V75-I79 HydrophobicContact CG1-CG1 4.08Å; V75-I79 WeakPolarHBondContact O-CG1 3.5Å; V75-I79 PolarHBondContact O-N 2.98Å; V75-I118 HydrophobicContact CG1-CD1 4.25Å
76Y98.5Very high93.7Very high1 Ų146.2 Ų46.20%0.00424%0.235CC..Iπ-helixtrans-60.3-49.3178.7168.7-109.2000112.8Q72 E73 T78 I79 G80 F81 I118 R121 I122 D125Q72-Y76 WeakPolarHBondContact O-CB 3.42Å; Q72-Y76 PolarHBondContact O-N 3.25Å; E73-Y76 PolarHBondContact O-N 2.97Å; Y76-T78 PolarHBondContact O-N 3.07Å; Y76-I79 PolarHBondContact O-N 3.28Å; Y76-G80 CarbonylContact O-C 3.49Å; Y76-G80 VanDerWaalsContact O-CA 3.22Å; Y76-G80 WeakPolarHBondContact O-CA 3.35Å; Y76-G80 PolarHBondContact O-N 3.39Å; Y76-F81 HydrophobicContact CE1-CB 4.17Å; Y76-F81 HydrophobicContact CE2-CB 4.37Å; Y76-F81 PolarHBondContact O-N 3.06Å; Y76-I118 HydrophobicContact CD2-CG2 4.36Å; Y76-R121 HydrophobicContact CD1-CB 3.6Å; Y76-R121 HydrophobicContact CD1-CG 4.21Å; Y76-R121 HydrophobicContact CD2-CB 3.76Å; Y76-R121 HydrophobicContact CE1-CB 3.69Å; Y76-R121 HydrophobicContact CE2-CB 3.89Å; Y76-R121 HydrophobicContact CG-CB 3.62Å; Y76-R121 HydrophobicContact CG-CG 4.26Å; Y76-I122 HydrophobicContact CD2-CG1 4.28Å; Y76-I122 HydrophobicContact CE2-CB 4.44Å; Y76-I122 HydrophobicContact CE2-CG1 3.53Å; Y76-D125 WeakPolarHBondContact CE1-OD2 3.24Å; Y76-D125 VanDerWaalsContact CZ-OD2 3.25Å; Y76-D125 VanDerWaalsContact OH-CB 3.27Å; Y76-D125 WeakPolarHBondContact OH-CB 3.48Å; Y76-D125 VanDerWaalsContact OH-CG 3.23Å; Y76-D125 PolarHBondContact OH-OD2 3.29Å
77Q98.1Very high95Very high78 Ų7837.4 Ų37.436%0.36420%0.195SC..Iπ-helixtrans-61.2-33.2179-71.1-64-17.500112.4E73 P82E73-Q77 HydrophobicContact CG-CG 4.29Å; E73-Q77 WeakPolarHBondContact O-CB 3.4Å; E73-Q77 WeakPolarHBondContact O-CG 3.37Å; E73-Q77 PolarHBondContact O-N 3.2Å; E73-Q77 WeakPolarHBondContact OE1-CG 3.39Å; E73-Q77 PolarHBondContact OE1-NE2 3.12Å; Q77-P82 WeakPolarHBondContact O-CD 3.46Å
78T97.8Very high96Very high38 Ų3835.4 Ų35.423%0.23319%0.185CC..Iπ-helixtrans-78.1-42.7-178.1-53.70000112.6H55 F57 L74 V75 Y76 P82H55-T78 HydrophobicContact CB-CG2 4.43Å; F57-T78 HydrophobicContact CE1-CG2 4.09Å; F57-T78 HydrophobicContact CZ-CG2 3.73Å; L74-T78 WeakPolarHBondContact O-CB 3.45Å; L74-T78 PolarHBondContact O-N 3.1Å; L74-T78 PolarHBondContact O-OG1 3.3Å; V75-T78 PolarHBondContact O-N 3.33Å; Y76-T78 PolarHBondContact O-N 3.07Å; T78-P82 WeakPolarHBondContact O-CG 3.39Å
79I98Very high96.5Very high4 Ų434.2 Ų34.22%0.02117%0.171CC..Iπ-helixtrans-122.3-22.8-171.662.2162.6000115.5A8 F57 V75 Y76 L83 L95 I118 V352 L354A8-I79 HydrophobicContact CB-CD1 4.37Å; A8-I79 HydrophobicContact CB-CG2 4.07Å; F57-I79 HydrophobicContact CE2-CG2 4.38Å; F57-I79 HydrophobicContact CZ-CG2 4.28Å; V75-I79 HydrophobicContact CG1-CD1 4.03Å; V75-I79 HydrophobicContact CG1-CG1 4.08Å; V75-I79 WeakPolarHBondContact O-CG1 3.5Å; V75-I79 PolarHBondContact O-N 2.98Å; Y76-I79 PolarHBondContact O-N 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.44Å; I79-L95 HydrophobicContact CD1-CD1 3.96Å; I79-L95 HydrophobicContact CG1-CD1 4.25Å; I79-I118 HydrophobicContact CD1-CD1 4.29Å; I79-V352 HydrophobicContact CB-CG1 4.1Å; I79-V352 HydrophobicContact CD1-CG1 4.2Å; I79-V352 HydrophobicContact CG2-CG1 4.29Å; I79-L354 HydrophobicContact CD1-CB 4.23Å; I79-L354 HydrophobicContact CD1-CD1 3.98Å; I79-L354 HydrophobicContact CD1-CD2 4.29Å; I79-L354 HydrophobicContact CD1-CG 4.39Å
80G97.9Very high96.8Very high0 Ų030 Ų300%015%0.151CC..Iπ-helixtrans-88.9-53.5-178.900000112.6Y76 L83 L84Y76-G80 CarbonylContact O-C 3.49Å; Y76-G80 VanDerWaalsContact O-CA 3.22Å; Y76-G80 WeakPolarHBondContact O-CA 3.35Å; Y76-G80 PolarHBondContact O-N 3.39Å; G80-L83 WeakPolarHBondContact O-CB 3.23Å; G80-L83 PolarHBondContact O-N 2.67Å; G80-L83 VanDerWaalsContact O-N 3.14Å; G80-L84 PolarHBondContact O-N 3.25Å
81F98.6Very high97Very high50 Ų5032.1 Ų32.122%0.21916%0.16CC..Hα-helixtrans-58.8-43.3-178.5-174.6-104.6000113Y76 L83 L84 I85 D125Y76-F81 HydrophobicContact CE1-CB 4.17Å; Y76-F81 HydrophobicContact CE2-CB 4.37Å; Y76-F81 PolarHBondContact O-N 3.06Å; F81-L83 VanDerWaalsContact C-N 3.27Å; F81-L83 PolarHBondContact O-N 3.36Å; F81-L84 HydrophobicContact CD2-CD2 4.32Å; F81-L84 HydrophobicContact CE2-CD2 4.48Å; F81-L84 WeakPolarHBondContact O-CB 3.46Å; F81-L84 PolarHBondContact O-N 3.17Å; F81-L84 VanDerWaalsContact O-N 3.11Å; F81-I85 HydrophobicContact CD1-CG1 4.19Å; F81-I85 HydrophobicContact CE1-CD1 3.98Å; F81-I85 HydrophobicContact CE1-CG1 3.83Å; F81-I85 HydrophobicContact CE2-CD1 4.09Å; F81-I85 HydrophobicContact CZ-CD1 3.66Å; F81-I85 HydrophobicContact CZ-CG1 4.04Å; F81-I85 WeakPolarHBondContact O-CG1 3.11Å; F81-I85 PolarHBondContact O-N 3.02Å; F81-I85 VanDerWaalsContact O-N 3.08Å; F81-D125 HydrophobicContact CD2-CB 4.39Å; F81-D125 WeakPolarHBondContact CD2-OD2 3.19Å; F81-D125 HydrophobicContact CE2-CB 4.38Å
82P98.3Very high97.2Very high59 Ų5930.7 Ų30.738%0.38315%0.148SC..Hα-helixtrans-59.7-35.4176.2-26.737.2000113.6Q77 T78 I85 R86Q77-P82 WeakPolarHBondContact O-CD 3.46Å; T78-P82 WeakPolarHBondContact O-CG 3.39Å; P82-I85 PolarHBondContact O-N 3.4Å; P82-R86 WeakPolarHBondContact O-CG 3.48Å; P82-R86 PolarHBondContact O-N 3.02Å
83L97.7Very high97.3Very high5 Ų530.6 Ų30.63%0.02615%0.148CC..Hα-helixtrans-67.1-39.4176.2-73.7-177.7000112.2I79 G80 F81 I85 R86 A87 A93 L95 V350 V352I79-L83 WeakPolarHBondContact O-CG 3.44Å; G80-L83 WeakPolarHBondContact O-CB 3.23Å; G80-L83 PolarHBondContact O-N 2.67Å; G80-L83 VanDerWaalsContact O-N 3.14Å; F81-L83 VanDerWaalsContact C-N 3.27Å; F81-L83 PolarHBondContact O-N 3.36Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-R86 PolarHBondContact O-N 3.19Å; L83-A87 WeakPolarHBondContact O-CB 3.4Å; L83-A87 PolarHBondContact O-N 3.43Å; L83-A93 HydrophobicContact CB-CB 4.01Å; L83-A93 HydrophobicContact CD2-CB 4.02Å; L83-A93 HydrophobicContact CG-CB 4.49Å; L83-L95 HydrophobicContact CD1-CB 3.76Å; L83-L95 HydrophobicContact CD1-CD1 4.05Å; L83-L95 HydrophobicContact CD1-CG 4.44Å; L83-V350 HydrophobicContact CD2-CB 4.19Å; L83-V350 HydrophobicContact CD2-CG1 3.74Å; L83-V352 HydrophobicContact CD1-CB 4.09Å; L83-V352 HydrophobicContact CD1-CG2 3.73Å; L83-V352 HydrophobicContact CD2-CG2 3.93Å; L83-V352 HydrophobicContact CG-CG2 3.96Å
84L98.3Very high97.4Very high0 Ų027.2 Ų27.20%013%0.132CC..Hα-helixtrans-59.1-46.2173.2169.161.4000110.9G80 F81 R86 A87 L88 D125 V126 I247G80-L84 PolarHBondContact O-N 3.25Å; F81-L84 HydrophobicContact CD2-CD2 4.32Å; F81-L84 HydrophobicContact CE2-CD2 4.48Å; F81-L84 WeakPolarHBondContact O-CB 3.46Å; F81-L84 PolarHBondContact O-N 3.17Å; F81-L84 VanDerWaalsContact O-N 3.11Å; L84-R86 PolarHBondContact O-N 3.25Å; L84-A87 PolarHBondContact O-N 3.43Å; L84-A87 VanDerWaalsContact O-N 3.16Å; L84-L88 HydrophobicContact CD1-CD1 4.01Å; L84-L88 HydrophobicContact CD1-CG 4.19Å; L84-L88 HydrophobicContact CG-CD1 4.18Å; L84-L88 WeakPolarHBondContact O-CG 3.15Å; L84-L88 PolarHBondContact O-N 3.18Å; L84-D125 HydrophobicContact CD2-CB 3.59Å; L84-V126 HydrophobicContact CD1-CB 3.81Å; L84-V126 HydrophobicContact CD1-CG2 3.8Å; L84-V126 HydrophobicContact CD2-CB 4.46Å; L84-I247 HydrophobicContact CB-CD1 4.44Å; L84-I247 HydrophobicContact CD1-CD1 3.66Å
85I97.9Very high97.5Very high30 Ų3024 Ų2415%0.15412%0.115CC..Hα-helixtrans-60.5-45.4178.4-60.9-47000111.5F81 P82 L83 A87 L88 E89 E129F81-I85 HydrophobicContact CD1-CG1 4.19Å; F81-I85 HydrophobicContact CE1-CD1 3.98Å; F81-I85 HydrophobicContact CE1-CG1 3.83Å; F81-I85 HydrophobicContact CE2-CD1 4.09Å; F81-I85 HydrophobicContact CZ-CD1 3.66Å; F81-I85 HydrophobicContact CZ-CG1 4.04Å; F81-I85 WeakPolarHBondContact O-CG1 3.11Å; F81-I85 PolarHBondContact O-N 3.02Å; F81-I85 VanDerWaalsContact O-N 3.08Å; P82-I85 PolarHBondContact O-N 3.4Å; L83-I85 VanDerWaalsContact C-N 3.34Å; I85-A87 VanDerWaalsContact C-N 3.29Å; I85-A87 PolarHBondContact O-N 2.92Å; I85-L88 PolarHBondContact O-N 3.08Å; I85-E89 WeakPolarHBondContact O-CG 3.39Å; I85-E89 PolarHBondContact O-N 2.95Å; I85-E89 VanDerWaalsContact O-N 3.11Å; I85-E129 HydrophobicContact CD1-CG 3.87Å
86R96.9Very high97.5Very high97 Ų9724 Ų2437%0.36612%0.116SC..Hα-helixtrans-60.8-38.9175.2-67.3-54.1-172.7-1770.6112.4P82 L83 L84 L88 E89 G90 Y91P82-R86 WeakPolarHBondContact O-CG 3.48Å; P82-R86 PolarHBondContact O-N 3.02Å; L83-R86 PolarHBondContact O-N 3.19Å; L84-R86 PolarHBondContact O-N 3.25Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-L88 PolarHBondContact O-N 3.3Å; R86-E89 VanDerWaalsContact CD-OE2 3.28Å; R86-E89 WeakPolarHBondContact CD-OE2 3.34Å; R86-E89 IonicContact CZ-OE2 2.59Å; R86-E89 IonicContact NE-OE2 2.83Å; R86-E89 IonicContact NH1-OE1 3.01Å; R86-E89 IonicContact NH1-OE2 3.88Å; R86-E89 PolarHBondContact NH1-OE2 3.34Å; R86-E89 WeakPolarHBondContact O-CB 3.42Å; R86-E89 PolarHBondContact O-N 3.06Å; R86-G90 PolarHBondContact O-N 2.67Å; R86-Y91 HydrophobicContact CB-CD2 4.49Å; R86-Y91 WeakPolarHBondContact O-CB 3.42Å; R86-Y91 WeakPolarHBondContact O-CD2 3.48Å; R86-Y91 PolarHBondContact O-N 2.89Å; R86-Y91 VanDerWaalsContact O-N 3.08Å
87A97.4Very high97.5Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-64.9-39.5176.900000112.3L83 L84 I85 E89 G90 Y91 A93 L226 S245 I247L83-A87 WeakPolarHBondContact O-CB 3.4Å; L83-A87 PolarHBondContact O-N 3.43Å; L84-A87 PolarHBondContact O-N 3.43Å; L84-A87 VanDerWaalsContact O-N 3.16Å; I85-A87 VanDerWaalsContact C-N 3.29Å; I85-A87 PolarHBondContact O-N 2.92Å; A87-E89 PolarHBondContact O-N 3.15Å; A87-G90 WeakPolarHBondContact O-CA 3.49Å; A87-G90 PolarHBondContact O-N 2.92Å; A87-Y91 VanDerWaalsContact CA-O 3.28Å; A87-Y91 WeakPolarHBondContact CA-O 2.93Å; A87-A93 HydrophobicContact CB-CB 4.28Å; A87-L226 HydrophobicContact CB-CD1 3.82Å; A87-S245 WeakPolarHBondContact O-CB 3.24Å; A87-S245 PolarHBondContact O-OG 3.4Å; A87-I247 HydrophobicContact CB-CD1 3.69Å; A87-I247 HydrophobicContact CB-CG1 3.29Å
88L96.8Very high97.5Very high4 Ų421.5 Ų21.52%0.02110%0.103CC..Hα-helixtrans-68.9-21.6174.8-67.5168.2000113.6L84 I85 R86 G90 E129 I130 F140 L226L84-L88 HydrophobicContact CD1-CD1 4.01Å; L84-L88 HydrophobicContact CD1-CG 4.19Å; L84-L88 HydrophobicContact CG-CD1 4.18Å; L84-L88 WeakPolarHBondContact O-CG 3.15Å; L84-L88 PolarHBondContact O-N 3.18Å; I85-L88 PolarHBondContact O-N 3.08Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-L88 PolarHBondContact O-N 3.3Å; L88-G90 VanDerWaalsContact C-N 3.26Å; L88-E129 HydrophobicContact CD1-CB 3.76Å; L88-E129 HydrophobicContact CD1-CG 3.32Å; L88-I130 HydrophobicContact CD2-CD1 4.42Å; L88-I130 HydrophobicContact CD2-CG1 3.81Å; L88-F140 HydrophobicContact CD2-CD1 4.11Å; L88-F140 HydrophobicContact CD2-CE1 3.92Å; L88-L226 HydrophobicContact CD2-CD1 4.04Å; L88-L226 HydrophobicContact CG-CD1 4.4Å
89E94.4Very high97.4Very high69 Ų6919.7 Ų19.732%0.3229%0.092SC..THydrogen-bonded Turntrans-77.2-10.4169.1-68.6168.9-178.300112.9I85 R86 A87 Y91I85-E89 WeakPolarHBondContact O-CG 3.39Å; I85-E89 PolarHBondContact O-N 2.95Å; I85-E89 VanDerWaalsContact O-N 3.11Å; R86-E89 VanDerWaalsContact CD-OE2 3.28Å; R86-E89 WeakPolarHBondContact CD-OE2 3.34Å; R86-E89 IonicContact CZ-OE2 2.59Å; R86-E89 IonicContact NE-OE2 2.83Å; R86-E89 IonicContact NH1-OE1 3.01Å; R86-E89 IonicContact NH1-OE2 3.88Å; R86-E89 PolarHBondContact NH1-OE2 3.34Å; R86-E89 WeakPolarHBondContact O-CB 3.42Å; R86-E89 PolarHBondContact O-N 3.06Å; A87-E89 PolarHBondContact O-N 3.15Å; E89-Y91 HydrophobicContact CB-CD2 3.9Å; E89-Y91 HydrophobicContact CB-CE2 4.07Å
90G94.5Very high97.2Very high1 Ų119.9 Ų19.91%0.019%0.093CC..THydrogen-bonded Turntrans99.311.6178.600000114.8R86 A87 L88 V386 N387R86-G90 PolarHBondContact O-N 2.67Å; A87-G90 WeakPolarHBondContact O-CA 3.49Å; A87-G90 PolarHBondContact O-N 2.92Å; L88-G90 VanDerWaalsContact C-N 3.26Å; G90-V386 WeakPolarHBondContact O-CA 3.14Å; G90-N387 PolarHBondContact O-N 3.37Å; G90-N387 PolarHBondContact O-ND2 2.68Å
91Y96.5Very high96.9Very high46 Ų4621.5 Ų21.518%0.1810%0.102CC..BIsolated β-bridgetrans-86.1145.9171.9-64.4-82.7000111.2R86 A87 E89 S245 A384 M385 V386R86-Y91 HydrophobicContact CB-CD2 4.49Å; R86-Y91 WeakPolarHBondContact O-CB 3.42Å; R86-Y91 WeakPolarHBondContact O-CD2 3.48Å; R86-Y91 PolarHBondContact O-N 2.89Å; R86-Y91 VanDerWaalsContact O-N 3.08Å; A87-Y91 VanDerWaalsContact CA-O 3.28Å; A87-Y91 WeakPolarHBondContact CA-O 2.93Å; E89-Y91 HydrophobicContact CB-CD2 3.9Å; E89-Y91 HydrophobicContact CB-CE2 4.07Å; Y91-S245 VanDerWaalsContact O-CB 3.22Å; Y91-S245 WeakPolarHBondContact O-CB 3.48Å; Y91-A384 HydrophobicContact CD1-CB 4.07Å; Y91-M385 VanDerWaalsContact CD1-C 3.48Å; Y91-V386 HydrophobicContact CD1-CG2 4.25Å; Y91-V386 HydrophobicContact CD2-CG2 4.25Å; Y91-V386 HydrophobicContact CE1-CG2 3.7Å; Y91-V386 HydrophobicContact CE2-CG2 3.69Å
92N96.9Very high96.5Very high18 Ų1823.4 Ų23.410%0.09612%0.122CC..  trans-70.9140.4164.4-64-32.9000109.7S245 H246 N348 A349 V350 N387N92-S245 WeakPolarHBondContact OD1-CA 3.32Å; N92-H246 PolarHBondContact OD1-CD2 3.21Å; N92-H246 PolarHBondContact OD1-N 3Å; N92-N348 WeakPolarHBondContact CB-O 3.08Å; N92-N348 PolarHBondContact ND2-O 3.44Å; N92-N348 VanDerWaalsContact ND2-O 3.16Å; N92-A349 HydrophobicContact CB-CB 3.97Å; N92-A349 CarbonylContact O-C 3.6Å; N92-A349 VanDerWaalsContact O-CA 3.31Å; N92-A349 WeakPolarHBondContact O-CA 3.43Å; N92-V350 PolarHBondContact O-N 2.56Å; N92-N387 VanDerWaalsContact CG-ND2 3.34Å; N92-N387 PolarHBondContact ND2-ND2 2.71Å; N92-N387 PolarHBondContact OD1-ND2 2.83Å
93A97.9Very high96.3Very high1 Ų120.6 Ų20.61%0.00810%0.104CC..EExtended strand (participates in β ladder)trans-126137.4179.400000109.8L83 A87 H246 I247 T248 V350L83-A93 HydrophobicContact CB-CB 4.01Å; L83-A93 HydrophobicContact CD2-CB 4.02Å; L83-A93 HydrophobicContact CG-CB 4.49Å; A87-A93 HydrophobicContact CB-CB 4.28Å; A93-H246 PolarHBondContact N-O 3.33Å; A93-H246 VanDerWaalsContact O-O 3.04Å; A93-I247 HydrophobicContact CB-CG1 4.49Å; A93-I247 CarbonylContact O-C 3.57Å; A93-I247 WeakPolarHBondContact O-CA 3.41Å; A93-T248 PolarHBondContact O-N 2.82Å; A93-V350 CarbonylContact C-O 3.59Å; A93-V350 WeakPolarHBondContact CA-O 3.49Å
94C98.3Very high96.2Very high0 Ų021.1 Ų21.10%011%0.111CC..EExtended strand (participates in β ladder)trans-134.4132.1178.3-175.20000110.7T248 S344 V350 T351 V352C94-T248 CarbonylContact C-O 3.55Å; C94-T248 VanDerWaalsContact CA-O 3.31Å; C94-T248 WeakPolarHBondContact CA-O 3.34Å; C94-S344 WeakPolarHBondContact CB-OG 3.5Å; C94-S344 PolarHBondContact SG-OG 2.7Å; C94-V350 PolarHBondContact N-O 3.35Å; C94-T351 HydrophobicContact CB-CG2 4.22Å; C94-T351 CarbonylContact O-C 3.52Å; C94-T351 VanDerWaalsContact O-CA 3.31Å; C94-T351 WeakPolarHBondContact O-CA 3.33Å; C94-V352 PolarHBondContact O-N 2.79Å
95L98.7Very high96.2Very high2 Ų221.8 Ų21.81%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-125.6122.1171.4-172.6148000108.5I79 L83 I109 I118 T248 V249 V250 V352I79-L95 HydrophobicContact CD1-CD1 3.96Å; I79-L95 HydrophobicContact CG1-CD1 4.25Å; L83-L95 HydrophobicContact CD1-CB 3.76Å; L83-L95 HydrophobicContact CD1-CD1 4.05Å; L83-L95 HydrophobicContact CD1-CG 4.44Å; L95-I109 HydrophobicContact CD2-CD1 3.28Å; L95-I118 HydrophobicContact CD1-CD1 4.04Å; L95-I118 HydrophobicContact CD1-CG2 4.28Å; L95-I118 HydrophobicContact CD2-CD1 4.12Å; L95-T248 PolarHBondContact N-O 2.95Å; L95-V249 HydrophobicContact CD2-CG1 4.21Å; L95-V249 CarbonylContact O-C 3.55Å; L95-V249 WeakPolarHBondContact O-CA 3.5Å; L95-V250 PolarHBondContact O-N 3.4Å; L95-V352 WeakPolarHBondContact CA-O 3.39Å; L95-V352 HydrophobicContact CG-CB 4.5Å
96F98.2Very high96.1Very high2 Ų223.7 Ų23.71%0.00913%0.126CC..EExtended strand (participates in β ladder)trans-126131.7174.664.7-93000112.1V250 L252 L345 T351 V352 M353 L354F96-V250 WeakPolarHBondContact CA-O 3.44Å; F96-V250 HydrophobicContact CB-CB 3.7Å; F96-V250 HydrophobicContact CB-CG1 4.39Å; F96-V250 HydrophobicContact CB-CG2 4.24Å; F96-L252 HydrophobicContact CD2-CD1 3.92Å; F96-L345 HydrophobicContact CE1-CD2 4Å; F96-L345 HydrophobicContact CZ-CD2 4.16Å; F96-T351 HydrophobicContact CD1-CG2 3.93Å; F96-T351 HydrophobicContact CE1-CG2 3.48Å; F96-T351 VanDerWaalsContact CE1-CG2 3.48Å; F96-V352 PolarHBondContact N-O 2.69Å; F96-M353 HydrophobicContact CD2-CB 4.41Å; F96-M353 HydrophobicContact CD2-CG 4.12Å; F96-M353 HydrophobicContact CE1-CB 4.24Å; F96-M353 HydrophobicContact CE2-CB 3.73Å; F96-M353 HydrophobicContact CE2-CG 3.44Å; F96-M353 VanDerWaalsContact CE2-CG 3.44Å; F96-M353 HydrophobicContact CE2-SD 3.91Å; F96-M353 HydrophobicContact CZ-CB 3.63Å; F96-M353 HydrophobicContact CZ-CG 3.86Å; F96-M353 HydrophobicContact CZ-SD 4.24Å; F96-L354 PolarHBondContact O-N 2.76Å
97A98.5Very high96Very high0 Ų024.2 Ų24.20%013%0.129CC..EExtended strand (participates in β ladder)trans-89.6133.3173.600000110.7K105 I109 V250 L252 L354A97-K105 HydrophobicContact CB-CB 3.94Å; A97-K105 HydrophobicContact CB-CG 4.11Å; A97-I109 HydrophobicContact CB-CD1 3.82Å; A97-I109 HydrophobicContact CB-CG1 3.61Å; A97-V250 PolarHBondContact N-O 3.09Å; A97-L252 VanDerWaalsContact O-CB 3.27Å; A97-L252 WeakPolarHBondContact O-CB 3.37Å; A97-L252 WeakPolarHBondContact O-CG 3.37Å; A97-L252 PolarHBondContact O-N 3.33Å; A97-L354 CarbonylContact C-O 3.53Å; A97-L354 VanDerWaalsContact CA-O 3.32Å; A97-L354 WeakPolarHBondContact CA-O 3.1Å
98Y97.5Very high96Very high26 Ų2624.2 Ų24.210%0.10213%0.129CC..EExtended strand (participates in β ladder)trans-132.5146.3179.9-175.8-84.9000110.5L252 S255 L278 M353 L354 A355 T356 T370 Y373Y98-L252 HydrophobicContact CD2-CD1 3.81Å; Y98-S255 WeakPolarHBondContact OH-CB 3.44Å; Y98-L278 HydrophobicContact CE2-CD2 4.2Å; Y98-M353 HydrophobicContact CD1-CE 3.84Å; Y98-M353 HydrophobicContact CG-CE 3.88Å; Y98-L354 PolarHBondContact N-O 2.77Å; Y98-A355 CarbonylContact O-C 3.58Å; Y98-A355 WeakPolarHBondContact O-CA 3.5Å; Y98-T356 PolarHBondContact O-N 3.5Å; Y98-T356 PolarHBondContact O-OG1 3.49Å; Y98-T356 VanDerWaalsContact O-OG1 3.13Å; Y98-T370 HydrophobicContact CD1-CG2 4.08Å; Y98-T370 HydrophobicContact CE1-CG2 4.39Å; Y98-Y373 AromaticContact CD1-CD1 3.68Å; Y98-Y373 HydrophobicContact CD1-CD1 3.68Å; Y98-Y373 HydrophobicContact CD1-CE1 4.08Å; Y98-Y373 HydrophobicContact CD2-CD1 4.13Å; Y98-Y373 AromaticContact CD2-CE1 3.67Å; Y98-Y373 HydrophobicContact CD2-CE1 3.67Å; Y98-Y373 AromaticContact CE1-CD1 3.43Å; Y98-Y373 HydrophobicContact CE1-CD1 3.43Å; Y98-Y373 VanDerWaalsContact CE1-CD1 3.43Å; Y98-Y373 AromaticContact CE1-CE1 3.98Å; Y98-Y373 HydrophobicContact CE1-CE1 3.98Å; Y98-Y373 HydrophobicContact CE1-CG 4.04Å; Y98-Y373 AromaticContact CE2-CD1 3.88Å; Y98-Y373 HydrophobicContact CE2-CD1 3.88Å; Y98-Y373 AromaticContact CE2-CE1 3.53Å; Y98-Y373 HydrophobicContact CE2-CE1 3.53Å; Y98-Y373 HydrophobicContact CG-CD1 4.03Å; Y98-Y373 AromaticContact CG-CE1 3.95Å; Y98-Y373 HydrophobicContact CG-CE1 3.95Å; Y98-Y373 AromaticContact CZ-CD1 3.53Å; Y98-Y373 AromaticContact CZ-CE1 3.68Å
99G96Very high96.1Very high0 Ų024.1 Ų24.10%013%0.129CC..SBendtrans148.6173.2-179.400000112K105 S255G99-K105 WeakPolarHBondContact O-CE 3.44Å; G99-K105 PolarHBondContact O-NZ 2.85Å; G99-S255 PolarHBondContact O-N 2.8Å; G99-S255 PolarHBondContact O-OG 3.18Å
100M93.6Very high96.1Very high8 Ų821.6 Ų21.64%0.03912%0.118CC..SBendtrans-65.1163.5-179.769.8-174.187.200112.8S102 S103 K105 S255 E256 H363 E366M100-S102 PolarHBondContact O-N 2.92Å; M100-S103 VanDerWaalsContact O-CB 3.24Å; M100-S103 WeakPolarHBondContact O-CB 3.43Å; M100-S103 PolarHBondContact O-N 2.74Å; M100-S103 PolarHBondContact O-OG 3.36Å; M100-K105 VanDerWaalsContact C-NZ 3.3Å; M100-K105 PolarHBondContact O-NZ 2.95Å; M100-S255 PolarHBondContact N-OG 2.96Å; M100-S255 VanDerWaalsContact N-OG 3.16Å; M100-E256 WeakPolarHBondContact CA-OE2 3.21Å; M100-E256 HydrophobicContact CB-CB 4.27Å; M100-H363 HydrophobicContact CE-CB 3.76Å; M100-H363 HydrophobicContact SD-CB 3.66Å; M100-E366 HydrophobicContact CB-CB 4.4Å; M100-E366 HydrophobicContact CE-CB 3.32Å; M100-E366 HydrophobicContact SD-CB 4.01Å
101T92.1Very high96Very high33 Ų3322.1 Ų22.120%0.20212%0.124CC..THydrogen-bonded Turntrans-54.8139.8170-64.70000110.4S103 E256T101-S103 PolarHBondContact O-N 3.03Å; T101-E256 WeakPolarHBondContact CB-OE1 3.39Å; T101-E256 PolarHBondContact N-OE2 2.59Å; T101-E256 PolarHBondContact OG1-OE1 2.96Å; T101-E256 PolarHBondContact OG1-OE2 3.39Å
102S90.6Very high95.8Very high90 Ų9022.3 Ų22.363%0.62913%0.13SC*.THydrogen-bonded Turntrans61.220.9-177.5-55.90000115.1R12 M100 G104R12-S102 WeakPolarHBondContact CD-O 3.34Å; R12-S102 PolarHBondContact NE-O 2.98Å; M100-S102 PolarHBondContact O-N 2.92Å; S102-G104 VanDerWaalsContact C-N 3.34Å
103S94.4Very high95.4Very high1 Ų126.2 Ų26.21%0.00716%0.157CC..SBendtrans-79.2-13.9170.763.20000114.3R12 M100 T101 T356R12-S103 WeakPolarHBondContact CG-O 3.41Å; M100-S103 VanDerWaalsContact O-CB 3.24Å; M100-S103 WeakPolarHBondContact O-CB 3.43Å; M100-S103 PolarHBondContact O-N 2.74Å; M100-S103 PolarHBondContact O-OG 3.36Å; T101-S103 PolarHBondContact O-N 3.03Å; S103-T356 WeakPolarHBondContact CB-O 3.28Å; S103-T356 WeakPolarHBondContact OG-CB 3.36Å; S103-T356 PolarHBondContact OG-OG1 3.48Å
104G95.2Very high95.2Very high16 Ų1633.9 Ų33.917%0.16520%0.198CC..SBendtrans10814.8-177.500000115.7S102 S108S102-G104 VanDerWaalsContact C-N 3.34Å; G104-S108 WeakPolarHBondContact O-CB 3.49Å; G104-S108 PolarHBondContact O-N 2.64Å; G104-S108 PolarHBondContact O-OG 3.14Å
105K97.4Very high95.1Very high13 Ų1336.2 Ų36.26%0.05721%0.21CC..Hα-helixtrans-56-66.3174.6-61.9-174.3-63.1-70.20112.3A97 G99 M100 Y107 S108 I109 D251 L252 T356A97-K105 HydrophobicContact CB-CB 3.94Å; A97-K105 HydrophobicContact CB-CG 4.11Å; G99-K105 WeakPolarHBondContact O-CE 3.44Å; G99-K105 PolarHBondContact O-NZ 2.85Å; M100-K105 VanDerWaalsContact C-NZ 3.3Å; M100-K105 PolarHBondContact O-NZ 2.95Å; K105-Y107 PolarHBondContact O-N 2.9Å; K105-S108 WeakPolarHBondContact O-CA 3.43Å; K105-S108 WeakPolarHBondContact O-CB 3.33Å; K105-S108 PolarHBondContact O-N 3.13Å; K105-I109 WeakPolarHBondContact O-CG1 3.33Å; K105-I109 PolarHBondContact O-N 2.72Å; K105-D251 VanDerWaalsContact CB-OD1 3.28Å; K105-D251 WeakPolarHBondContact CB-OD1 3.49Å; K105-L252 WeakPolarHBondContact CE-O 3.47Å; K105-T356 HydrophobicContact CG-CG2 4.33Å; K105-T356 WeakPolarHBondContact CG-OG1 3.33Å
106T95.6Very high95Very high70 Ų7037.6 Ų37.643%0.42922%0.219SC..Hα-helixtrans-60.6-34.4-179.2-47.30000112.4T110 G111 D251T106-T110 WeakPolarHBondContact O-CB 3.39Å; T106-T110 PolarHBondContact O-N 2.94Å; T106-G111 PolarHBondContact O-N 2.93Å; T106-G111 VanDerWaalsContact O-N 3.14Å; T106-D251 WeakPolarHBondContact CA-OD2 3.31Å; T106-D251 WeakPolarHBondContact CB-OD2 3.38Å; T106-D251 PolarHBondContact OG1-OD2 3.25Å
107Y95.9Very high94.9Very high108 Ų10837.5 Ų37.542%0.42422%0.219SC..Hα-helixtrans-59.2-49.6171.2-175.8-89.7000110.9Q72 K105 G111 P112 D115Q72-Y107 VanDerWaalsContact CD-CE1 3.45Å; Q72-Y107 HydrophobicContact CG-CE1 3.98Å; Q72-Y107 PolarHBondContact NE2-O 2.75Å; K105-Y107 PolarHBondContact O-N 2.9Å; Y107-G111 WeakPolarHBondContact O-CA 3.47Å; Y107-G111 PolarHBondContact O-N 3.35Å; Y107-P112 HydrophobicContact CE2-CG 4.2Å; Y107-D115 PolarHBondContact OH-OD2 2.83Å
108S98.1Very high94.9Very high1 Ų137.6 Ų37.61%0.00722%0.219CC..Hα-helixtrans-67.5-39.5-179.6-54.30000113R10 G104 K105 G117 I118R10-S108 WeakPolarHBondContact CD-OG 3.31Å; R10-S108 PolarHBondContact NH1-OG 2.83Å; G104-S108 WeakPolarHBondContact O-CB 3.49Å; G104-S108 PolarHBondContact O-N 2.64Å; G104-S108 PolarHBondContact O-OG 3.14Å; K105-S108 WeakPolarHBondContact O-CA 3.43Å; K105-S108 WeakPolarHBondContact O-CB 3.33Å; K105-S108 PolarHBondContact O-N 3.13Å; S108-G117 WeakPolarHBondContact O-CA 3.17Å; S108-I118 WeakPolarHBondContact O-CG1 3.28Å; S108-I118 PolarHBondContact O-N 3.37Å
109I97.9Very high94.9Very high1 Ų136.6 Ų36.61%0.00522%0.216CC..Hα-helixtrans-77.4-54-176-64.5-59.9000111.8L95 A97 K105 G117 I118 I119 V249 D251L95-I109 HydrophobicContact CD2-CD1 3.28Å; A97-I109 HydrophobicContact CB-CD1 3.82Å; A97-I109 HydrophobicContact CB-CG1 3.61Å; K105-I109 WeakPolarHBondContact O-CG1 3.33Å; K105-I109 PolarHBondContact O-N 2.72Å; I109-G117 CarbonylContact O-C 3.54Å; I109-I118 HydrophobicContact CD1-CD1 4.33Å; I109-I118 PolarHBondContact O-N 3.41Å; I109-I118 VanDerWaalsContact O-N 3.12Å; I109-I119 HydrophobicContact CG2-CD1 3.39Å; I109-I119 HydrophobicContact CG2-CG1 3.8Å; I109-I119 WeakPolarHBondContact O-CB 3.46Å; I109-I119 PolarHBondContact O-N 3.36Å; I109-V249 HydrophobicContact CD1-CG1 3.93Å; I109-V249 HydrophobicContact CG2-CG1 3.77Å; I109-D251 HydrophobicContact CB-CB 4.49Å; I109-D251 HydrophobicContact CG1-CB 4.38Å; I109-D251 HydrophobicContact CG2-CB 4.26Å
110T94.9Very high95Very high17 Ų1737.9 Ų37.910%0.10422%0.221CC..THydrogen-bonded Turntrans-98.9-49.2-175.1-56.40000111.2T106 G117T106-T110 WeakPolarHBondContact O-CB 3.39Å; T106-T110 PolarHBondContact O-N 2.94Å; T110-G117 WeakPolarHBondContact O-CA 3.48Å; T110-G117 PolarHBondContact O-N 3.39Å
111G92.5Very high95.2Very high12 Ų1239.6 Ų39.612%0.12423%0.227CC..  trans66.1161.1-174.600000113.7T106 Y107T106-G111 PolarHBondContact O-N 2.93Å; T106-G111 VanDerWaalsContact O-N 3.14Å; Y107-G111 WeakPolarHBondContact O-CA 3.47Å; Y107-G111 PolarHBondContact O-N 3.35Å
112P92.1Very high95.5Very high49 Ų4938.2 Ų38.232%0.31822%0.218SC..  trans-66.3161.7167.830.5-36000111.1Y107 D114 D115 P116Y107-P112 HydrophobicContact CE2-CG 4.2Å; P112-D114 VanDerWaalsContact C-N 3.25Å; P112-D114 PolarHBondContact O-N 3.38Å; P112-D115 VanDerWaalsContact CD-O 3.31Å; P112-D115 WeakPolarHBondContact CD-O 3.35Å; P112-D115 HydrophobicContact CG-CB 3.93Å; P112-D115 CarbonylContact O-C 3.16Å; P112-D115 PolarHBondContact O-N 2.89Å; P112-P116 WeakPolarHBondContact O-CA 3.44Å
113P88.8Confident95.8Very high100 Ų10033.9 Ų33.965%0.64919%0.188SC*.THydrogen-bonded Turntrans-56.3-37.2176.7-26.135.5000113.8
114D93.9Very high95.8Very high163 Ų16338.5 Ų38.587%0.87221%0.208SC*.THydrogen-bonded Turntrans-77.1-23.5-178.4-56.3-34.3000113.4P112P112-D114 VanDerWaalsContact C-N 3.25Å; P112-D114 PolarHBondContact O-N 3.38Å
115D95Very high96Very high48 Ų4838.7 Ų38.726%0.25721%0.205SC..SBendtrans-133.673.3176.6-172.827.4000110.1Q72 Y107 P112 R121Q72-D115 WeakPolarHBondContact CB-OD1 3.38Å; Q72-D115 WeakPolarHBondContact CG-OD1 3.38Å; Q72-D115 WeakPolarHBondContact CG-OD2 3.5Å; Q72-D115 PolarHBondContact NE2-O 2.77Å; Y107-D115 PolarHBondContact OH-OD2 2.83Å; P112-D115 VanDerWaalsContact CD-O 3.31Å; P112-D115 WeakPolarHBondContact CD-O 3.35Å; P112-D115 HydrophobicContact CG-CB 3.93Å; P112-D115 CarbonylContact O-C 3.16Å; P112-D115 PolarHBondContact O-N 2.89Å; D115-R121 IonicContact OD1-NH2 3.08Å
116P96.3Very high96Very high32 Ų3238 Ų3821%0.20820%0.202CC..  trans-61.5140.2-169.620.2-30.3000112Q72 P112 R120 R121Q72-P116 WeakPolarHBondContact CB-O 3.41Å; P112-P116 WeakPolarHBondContact O-CA 3.44Å; P116-R120 HydrophobicContact CB-CB 3.69Å; P116-R120 HydrophobicContact CB-CG 4.36Å; P116-R121 VanDerWaalsContact O-CZ 3.29Å; P116-R121 PolarHBondContact O-NE 2.91Å; P116-R121 PolarHBondContact O-NH2 2.99Å
117G97.1Very high96.1Very high0 Ų036.9 Ų36.90%019%0.191CC..  trans-82.3-169.1175.300000113S108 I109 T110 I119 R120 R121S108-G117 WeakPolarHBondContact O-CA 3.17Å; I109-G117 CarbonylContact O-C 3.54Å; T110-G117 WeakPolarHBondContact O-CA 3.48Å; T110-G117 PolarHBondContact O-N 3.39Å; G117-I119 PolarHBondContact O-N 2.92Å; G117-R120 PolarHBondContact O-N 3.23Å; G117-R121 WeakPolarHBondContact O-CG 3.49Å; G117-R121 PolarHBondContact O-N 3.11Å
118I98.5Very high96.2Very high1 Ų135.5 Ų35.51%0.00519%0.189CC..Hα-helixtrans-56.2-46.3-175.6-68.7162.4000112.5V75 Y76 I79 L95 S108 I109 R120 R121 I122 L354V75-I118 HydrophobicContact CG1-CD1 4.25Å; Y76-I118 HydrophobicContact CD2-CG2 4.36Å; I79-I118 HydrophobicContact CD1-CD1 4.29Å; L95-I118 HydrophobicContact CD1-CD1 4.04Å; L95-I118 HydrophobicContact CD1-CG2 4.28Å; L95-I118 HydrophobicContact CD2-CD1 4.12Å; S108-I118 WeakPolarHBondContact O-CG1 3.28Å; S108-I118 PolarHBondContact O-N 3.37Å; I109-I118 HydrophobicContact CD1-CD1 4.33Å; I109-I118 PolarHBondContact O-N 3.41Å; I109-I118 VanDerWaalsContact O-N 3.12Å; I118-R120 PolarHBondContact O-N 3.16Å; I118-R121 PolarHBondContact O-N 3.28Å; I118-I122 HydrophobicContact CG2-CD1 3.56Å; I118-I122 HydrophobicContact CG2-CG1 4.11Å; I118-I122 WeakPolarHBondContact O-CG1 3.42Å; I118-I122 PolarHBondContact O-N 2.84Å; I118-L354 HydrophobicContact CD1-CD2 4.19Å
119I97.7Very high96.2Very high6 Ų636.5 Ų36.53%0.03119%0.193CC..Hα-helixtrans-59.6-48.9-175.7-72.2178000111.1I109 G117 R121 I122 S123 L197 L222 V249I109-I119 HydrophobicContact CG2-CD1 3.39Å; I109-I119 HydrophobicContact CG2-CG1 3.8Å; I109-I119 WeakPolarHBondContact O-CB 3.46Å; I109-I119 PolarHBondContact O-N 3.36Å; G117-I119 PolarHBondContact O-N 2.92Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 2.96Å; I119-I122 PolarHBondContact O-N 2.59Å; I119-S123 WeakPolarHBondContact O-CB 3.34Å; I119-S123 PolarHBondContact O-N 3.35Å; I119-S123 PolarHBondContact O-OG 2.95Å; I119-L197 HydrophobicContact CG2-CD1 4.32Å; I119-L197 HydrophobicContact CG2-CD2 3.64Å; I119-L222 HydrophobicContact CB-CD2 4.3Å; I119-L222 HydrophobicContact CD1-CB 4.31Å; I119-L222 HydrophobicContact CD1-CD2 3.89Å; I119-L222 HydrophobicContact CG1-CD2 3.99Å; I119-L222 HydrophobicContact CG2-CD2 3.39Å; I119-V249 HydrophobicContact CD1-CB 4.28Å; I119-V249 HydrophobicContact CD1-CG1 3.95Å; I119-V249 HydrophobicContact CG1-CB 4.04Å; I119-V249 HydrophobicContact CG1-CG1 3.66Å; I119-V249 HydrophobicContact CG1-CG2 4.36Å
120R96.9Very high96.1Very high27 Ų2737.4 Ų37.410%0.10220%0.198CC..Hα-helixtrans-64.5-40.3-177.8-71-179.9179.6-85.7-3.7110.9P116 G117 I118 S123 K124 D198P116-R120 HydrophobicContact CB-CB 3.69Å; P116-R120 HydrophobicContact CB-CG 4.36Å; G117-R120 PolarHBondContact O-N 3.23Å; I118-R120 PolarHBondContact O-N 3.16Å; R120-S123 WeakPolarHBondContact O-CB 3.37Å; R120-S123 PolarHBondContact O-N 2.91Å; R120-K124 PolarHBondContact O-N 3.42Å; R120-K124 VanDerWaalsContact O-N 3.14Å; R120-D198 IonicContact CZ-OD1 2.7Å; R120-D198 IonicContact NH1-OD2 2.84Å; R120-D198 IonicContact NH2-OD1 3.53Å; R120-D198 PolarHBondContact NH2-OD1 3.02Å; R120-D198 IonicContact NH2-OD2 2.76Å; R120-D198 PolarHBondContact NH2-OD2 3.45Å
121R98Very high96.1Very high43 Ų4339.1 Ų39.116%0.16222%0.219CC..Hα-helixtrans-68.1-42.3176.7-63.6178.5-165.8-83-3.5112.8E73 Y76 D115 P116 G117 I118 I119 S123 K124 D125E73-R121 WeakPolarHBondContact OE2-CD 3.33Å; E73-R121 IonicContact OE2-CZ 3.57Å; E73-R121 IonicContact OE2-NE 2.73Å; E73-R121 IonicContact OE2-NH1 3.76Å; E73-R121 PolarHBondContact OE2-NH1 2.77Å; Y76-R121 HydrophobicContact CD1-CB 3.6Å; Y76-R121 HydrophobicContact CD1-CG 4.21Å; Y76-R121 HydrophobicContact CD2-CB 3.76Å; Y76-R121 HydrophobicContact CE1-CB 3.69Å; Y76-R121 HydrophobicContact CE2-CB 3.89Å; Y76-R121 HydrophobicContact CG-CB 3.62Å; Y76-R121 HydrophobicContact CG-CG 4.26Å; D115-R121 IonicContact OD1-NH2 3.08Å; P116-R121 VanDerWaalsContact O-CZ 3.29Å; P116-R121 PolarHBondContact O-NE 2.91Å; P116-R121 PolarHBondContact O-NH2 2.99Å; G117-R121 WeakPolarHBondContact O-CG 3.49Å; G117-R121 PolarHBondContact O-N 3.11Å; I118-R121 PolarHBondContact O-N 3.28Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 2.96Å; R121-S123 VanDerWaalsContact C-N 3.26Å; R121-S123 PolarHBondContact O-N 2.93Å; R121-K124 PolarHBondContact O-N 2.81Å; R121-D125 PolarHBondContact O-N 3.35Å
122I98.1Very high96.3Very high4 Ų445.8 Ų45.82%0.02124%0.24CC..Hα-helixtrans-57.5-42.8170.7-70.4176000110.4Y76 I118 I119 K124 D125 V126 L224 I247 V249Y76-I122 HydrophobicContact CD2-CG1 4.28Å; Y76-I122 HydrophobicContact CE2-CB 4.44Å; Y76-I122 HydrophobicContact CE2-CG1 3.53Å; I118-I122 HydrophobicContact CG2-CD1 3.56Å; I118-I122 HydrophobicContact CG2-CG1 4.11Å; I118-I122 WeakPolarHBondContact O-CG1 3.42Å; I118-I122 PolarHBondContact O-N 2.84Å; I119-I122 PolarHBondContact O-N 2.59Å; I122-K124 PolarHBondContact O-N 2.83Å; I122-D125 PolarHBondContact O-N 3.21Å; I122-V126 VanDerWaalsContact O-CB 3.27Å; I122-V126 WeakPolarHBondContact O-CB 3.03Å; I122-V126 VanDerWaalsContact O-CG1 3.27Å; I122-V126 WeakPolarHBondContact O-CG1 3.47Å; I122-V126 PolarHBondContact O-N 3.2Å; I122-L224 HydrophobicContact CG2-CD1 3.93Å; I122-I247 HydrophobicContact CD1-CG2 4.36Å; I122-I247 HydrophobicContact CG2-CD1 4.32Å; I122-V249 HydrophobicContact CD1-CG2 4.16Å
123S96.8Very high96.4Very high0 Ų046.9 Ų46.90%024%0.238CC..Hα-helixtrans-63.3-30.9-178-55.20000112.6I119 R120 R121 V126 F127 E190 I193I119-S123 WeakPolarHBondContact O-CB 3.34Å; I119-S123 PolarHBondContact O-N 3.35Å; I119-S123 PolarHBondContact O-OG 2.95Å; R120-S123 WeakPolarHBondContact O-CB 3.37Å; R120-S123 PolarHBondContact O-N 2.91Å; R121-S123 VanDerWaalsContact C-N 3.26Å; R121-S123 PolarHBondContact O-N 2.93Å; S123-V126 WeakPolarHBondContact O-CG1 3.43Å; S123-F127 VanDerWaalsContact O-CD2 3.28Å; S123-F127 WeakPolarHBondContact O-CD2 3.27Å; S123-E190 WeakPolarHBondContact O-CB 3.25Å; S123-I193 WeakPolarHBondContact OG-CG2 3.49Å
124K96.1Very high96.5Very high97 Ų9745.4 Ų45.442%0.42223%0.227SC..Hα-helixtrans-74.7-58.3172.7-177.3-179.3171.2-167.50111.1R120 R121 I122 V126 F127 E128 E190R120-K124 PolarHBondContact O-N 3.42Å; R120-K124 VanDerWaalsContact O-N 3.14Å; R121-K124 PolarHBondContact O-N 2.81Å; I122-K124 PolarHBondContact O-N 2.83Å; K124-V126 VanDerWaalsContact C-N 3.27Å; K124-V126 PolarHBondContact O-N 3.28Å; K124-F127 PolarHBondContact O-N 2.78Å; K124-E128 WeakPolarHBondContact CE-OE1 3.15Å; K124-E128 IonicContact NZ-OE1 3.33Å; K124-E128 PolarHBondContact O-N 3.27Å; K124-E190 HydrophobicContact CB-CG 4.19Å; K124-E190 WeakPolarHBondContact CG-OE2 3.3Å
125D98.4Very high96.5Very high20 Ų2043.1 Ų43.111%0.10721%0.211CC..Hα-helixtrans-68.2-25.8-170.8-73.40.7000113.2Y76 F81 L84 R121 I122 F127 E128 E129Y76-D125 WeakPolarHBondContact CE1-OD2 3.24Å; Y76-D125 VanDerWaalsContact CZ-OD2 3.25Å; Y76-D125 VanDerWaalsContact OH-CB 3.27Å; Y76-D125 WeakPolarHBondContact OH-CB 3.48Å; Y76-D125 VanDerWaalsContact OH-CG 3.23Å; Y76-D125 PolarHBondContact OH-OD2 3.29Å; F81-D125 HydrophobicContact CD2-CB 4.39Å; F81-D125 WeakPolarHBondContact CD2-OD2 3.19Å; F81-D125 HydrophobicContact CE2-CB 4.38Å; L84-D125 HydrophobicContact CD2-CB 3.59Å; R121-D125 PolarHBondContact O-N 3.35Å; I122-D125 PolarHBondContact O-N 3.21Å; D125-F127 VanDerWaalsContact C-N 3.28Å; D125-F127 PolarHBondContact O-N 3.18Å; D125-E128 PolarHBondContact O-N 3.49Å; D125-E129 VanDerWaalsContact O-CB 3.23Å; D125-E129 WeakPolarHBondContact O-CB 3.44Å; D125-E129 PolarHBondContact O-N 3.49Å
126V98.2Very high96.2Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-58.5-42.7177.266.70000111.2L84 I122 S123 K124 I130 I193 L226L84-V126 HydrophobicContact CD1-CB 3.81Å; L84-V126 HydrophobicContact CD1-CG2 3.8Å; L84-V126 HydrophobicContact CD2-CB 4.46Å; I122-V126 VanDerWaalsContact O-CB 3.27Å; I122-V126 WeakPolarHBondContact O-CB 3.03Å; I122-V126 VanDerWaalsContact O-CG1 3.27Å; I122-V126 WeakPolarHBondContact O-CG1 3.47Å; I122-V126 PolarHBondContact O-N 3.2Å; S123-V126 WeakPolarHBondContact O-CG1 3.43Å; K124-V126 VanDerWaalsContact C-N 3.27Å; K124-V126 PolarHBondContact O-N 3.28Å; V126-I130 HydrophobicContact CG2-CD1 3.97Å; V126-I130 VanDerWaalsContact O-CB 3.28Å; V126-I130 WeakPolarHBondContact O-CB 3.27Å; V126-I130 WeakPolarHBondContact O-CD1 3.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.39Å; V126-I130 PolarHBondContact O-N 3.22Å; V126-I193 HydrophobicContact CG1-CD1 4.44Å; V126-L226 HydrophobicContact CG2-CD2 3.89Å
127F97.7Very high95.8Very high46 Ų4648.3 Ų48.320%0.20225%0.246CC..Hα-helixtrans-79.2-34.3179.4-66.7-73.9000112.2S123 K124 D125 G131 V142 V187 W188 S189 E190 I193S123-F127 VanDerWaalsContact O-CD2 3.28Å; S123-F127 WeakPolarHBondContact O-CD2 3.27Å; K124-F127 PolarHBondContact O-N 2.78Å; D125-F127 VanDerWaalsContact C-N 3.28Å; D125-F127 PolarHBondContact O-N 3.18Å; F127-G131 PolarHBondContact O-N 3.43Å; F127-V142 HydrophobicContact CE1-CB 4.37Å; F127-V142 HydrophobicContact CE1-CG2 4.09Å; F127-V142 HydrophobicContact CZ-CB 4.41Å; F127-V142 HydrophobicContact CZ-CG2 4.48Å; F127-V187 HydrophobicContact CZ-CB 4.49Å; F127-V187 HydrophobicContact CZ-CG2 4.16Å; F127-W188 VanDerWaalsContact CE1-C 3.45Å; F127-S189 WeakPolarHBondContact CE2-O 3.28Å; F127-E190 VanDerWaalsContact CD2-N 3.34Å; F127-E190 VanDerWaalsContact CE2-N 3.34Å; F127-I193 HydrophobicContact CE2-CD1 3.65Å; F127-I193 HydrophobicContact CE2-CG1 4.34Å; F127-I193 HydrophobicContact CZ-CD1 4.17Å
128E97.5Very high95.6Very high78 Ų7848.8 Ų48.836%0.36425%0.249SC..Hα-helixtrans-61.6-46.6172.8-66.6-168.4-179.100111.5K124 D125 G131 R132K124-E128 WeakPolarHBondContact CE-OE1 3.15Å; K124-E128 IonicContact NZ-OE1 3.33Å; K124-E128 PolarHBondContact O-N 3.27Å; D125-E128 PolarHBondContact O-N 3.49Å; E128-G131 PolarHBondContact O-N 2.7Å; E128-R132 WeakPolarHBondContact O-CG 3.36Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE2-NH2 3.8Å; E128-R132 PolarHBondContact OE2-NH2 3.16Å
129E97.3Very high95.3Very high22 Ų2256.8 Ų56.810%0.10328%0.279CS..Hα-helixtrans-73.2-34.6-177.9-168.964.8-171.600112I85 L88 D125 G131 R132 R133I85-E129 HydrophobicContact CD1-CG 3.87Å; L88-E129 HydrophobicContact CD1-CB 3.76Å; L88-E129 HydrophobicContact CD1-CG 3.32Å; D125-E129 VanDerWaalsContact O-CB 3.23Å; D125-E129 WeakPolarHBondContact O-CB 3.44Å; D125-E129 PolarHBondContact O-N 3.49Å; E129-G131 VanDerWaalsContact C-N 3.31Å; E129-R132 PolarHBondContact O-N 3.45Å; E129-R132 IonicContact OE2-CZ 3.78Å; E129-R132 IonicContact OE2-NE 3.21Å; E129-R132 IonicContact OE2-NH1 3.48Å; E129-R132 PolarHBondContact OE2-NH1 3.25Å; E129-R133 WeakPolarHBondContact O-CB 3.45Å; E129-R133 VanDerWaalsContact O-CG 3.29Å; E129-R133 WeakPolarHBondContact O-CG 3.5Å; E129-R133 PolarHBondContact O-N 3.48Å; E129-R133 IonicContact OE1-CZ 2.65Å; E129-R133 IonicContact OE1-NE 3.82Å; E129-R133 PolarHBondContact OE1-NE 3.42Å; E129-R133 IonicContact OE1-NH2 3.18Å; E129-R133 PolarHBondContact OE1-NH2 3.47Å
130I96.7Very high95.2Very high21 Ų2158.1 Ų58.111%0.10829%0.285CS..Hα-helixtrans-59.4-45.2167.3-76.6168.5000110.1L88 V126 R132 R133 T134 F140 V142L88-I130 HydrophobicContact CD2-CD1 4.42Å; L88-I130 HydrophobicContact CD2-CG1 3.81Å; V126-I130 HydrophobicContact CG2-CD1 3.97Å; V126-I130 VanDerWaalsContact O-CB 3.28Å; V126-I130 WeakPolarHBondContact O-CB 3.27Å; V126-I130 WeakPolarHBondContact O-CD1 3.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.39Å; V126-I130 PolarHBondContact O-N 3.22Å; I130-R132 VanDerWaalsContact C-N 3.31Å; I130-R132 PolarHBondContact O-N 2.98Å; I130-R133 PolarHBondContact O-N 2.65Å; I130-T134 WeakPolarHBondContact O-CB 3.44Å; I130-T134 PolarHBondContact O-N 2.78Å; I130-T134 PolarHBondContact O-OG1 3.15Å; I130-F140 HydrophobicContact CB-CB 4.47Å; I130-F140 HydrophobicContact CB-CG 4.48Å; I130-F140 HydrophobicContact CD1-CB 3.96Å; I130-F140 HydrophobicContact CD1-CG 4.42Å; I130-F140 HydrophobicContact CG1-CB 3.93Å; I130-F140 HydrophobicContact CG1-CD1 4.14Å; I130-F140 HydrophobicContact CG1-CD2 4.37Å; I130-F140 HydrophobicContact CG1-CG 3.9Å; I130-F140 HydrophobicContact CG2-CB 3.73Å; I130-F140 HydrophobicContact CG2-CD2 3.95Å; I130-F140 HydrophobicContact CG2-CG 4.03Å; I130-V142 HydrophobicContact CD1-CG2 3.46Å; I130-V142 VanDerWaalsContact CD1-CG2 3.46Å
131G95.5Very high95.2Very high52 Ų5257.8 Ų57.854%0.53629%0.287SS..Hα-helixtrans-57.7-42.6177.600000112.6F127 E128 E129F127-G131 PolarHBondContact O-N 3.43Å; E128-G131 PolarHBondContact O-N 2.7Å; E129-G131 VanDerWaalsContact C-N 3.31Å
132R95.6Very high95.2Very high153 Ų15356 Ų5658%0.57728%0.281SS*.Hα-helixtrans-68.6-31.3177.4-65.9175.2-150.6146.42113.7E128 E129 I130E128-R132 WeakPolarHBondContact O-CG 3.36Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE2-NH2 3.8Å; E128-R132 PolarHBondContact OE2-NH2 3.16Å; E129-R132 PolarHBondContact O-N 3.45Å; E129-R132 IonicContact OE2-CZ 3.78Å; E129-R132 IonicContact OE2-NE 3.21Å; E129-R132 IonicContact OE2-NH1 3.48Å; E129-R132 PolarHBondContact OE2-NH1 3.25Å; I130-R132 VanDerWaalsContact C-N 3.31Å; I130-R132 PolarHBondContact O-N 2.98Å
133R94.3Very high95.2Very high72 Ų7258.9 Ų58.927%0.27229%0.293SS..Hα-helixtrans-96.8-7.8-176-66.2177.2-175.3-137.5-5.2114.2E129 I130 E135 F140E129-R133 WeakPolarHBondContact O-CB 3.45Å; E129-R133 VanDerWaalsContact O-CG 3.29Å; E129-R133 WeakPolarHBondContact O-CG 3.5Å; E129-R133 PolarHBondContact O-N 3.48Å; E129-R133 IonicContact OE1-CZ 2.65Å; E129-R133 IonicContact OE1-NE 3.82Å; E129-R133 PolarHBondContact OE1-NE 3.42Å; E129-R133 IonicContact OE1-NH2 3.18Å; E129-R133 PolarHBondContact OE1-NH2 3.47Å; I130-R133 PolarHBondContact O-N 2.65Å; R133-E135 PolarHBondContact O-N 3.37Å; R133-F140 HydrophobicContact CB-CE2 3.94Å; R133-F140 HydrophobicContact CB-CZ 4.06Å
134T92.2Very high95.2Very high69 Ų6958.9 Ų58.942%0.42329%0.293SS..  trans-75.3123.9-179.5-66.10000109.2I130I130-T134 WeakPolarHBondContact O-CB 3.44Å; I130-T134 PolarHBondContact O-N 2.78Å; I130-T134 PolarHBondContact O-OG1 3.15Å
135E92Very high95.3Very high114 Ų11454.7 Ų54.753%0.53328%0.276SS..BIsolated β-bridgetrans-128.7164.5-179.4-68.7176.1-17400108.5R133 T137 T138R133-E135 PolarHBondContact O-N 3.37Å; E135-T137 PolarHBondContact O-N 2.95Å; E135-T138 PolarHBondContact N-O 2.9Å; E135-T138 CarbonylContact O-C 3.57Å; E135-T138 PolarHBondContact O-N 3.48Å
136P88.9Confident95.3Very high132 Ų13253.9 Ų53.986%0.85727%0.272SS*.THydrogen-bonded Turntrans-53.9-28.2178.7-28.136000114.4
137T88.4Confident95.2Very high57 Ų5754.5 Ų54.535%0.3527%0.274SS..THydrogen-bonded Turntrans-92.6-15.717850.80000114E135 S230 T231E135-T137 PolarHBondContact O-N 2.95Å; T137-S230 CarbonylContact O-C 3.53Å; T137-S230 WeakPolarHBondContact O-CA 3.19Å; T137-T231 WeakPolarHBondContact CB-O 3.32Å; T137-T231 PolarHBondContact O-N 2.9Å
138T92.4Very high95.1Very high10 Ų1052.4 Ų52.46%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-123.6121.7-170.9-58.80000111.2E135 F140 K228 R229E135-T138 PolarHBondContact N-O 2.9Å; E135-T138 CarbonylContact O-C 3.57Å; E135-T138 PolarHBondContact O-N 3.48Å; T138-F140 HydrophobicContact CG2-CD2 4.4Å; T138-F140 HydrophobicContact CG2-CE2 3.66Å; T138-F140 HydrophobicContact CG2-CZ 4.04Å; T138-K228 HydrophobicContact CG2-CD 4.43Å; T138-K228 HydrophobicContact CG2-CG 4.11Å; T138-R229 CarbonylContact C-O 3.52Å; T138-R229 VanDerWaalsContact CA-O 3.28Å; T138-R229 WeakPolarHBondContact CA-O 3.24Å
139R93.2Very high94.9Very high169 Ų16948.7 Ų48.764%0.63825%0.248SC*.EExtended strand (participates in β ladder)trans-124.7151.9177.1-65.2-178.1-179.2151.21.3111.1K228 R229R139-K228 CarbonylContact O-C 3.59Å; R139-K228 WeakPolarHBondContact O-CA 3.44Å; R139-R229 PolarHBondContact N-O 3.18Å; R139-R229 PolarHBondContact O-N 3.42Å
140F95.5Very high94.6Very high34 Ų3450.6 Ų50.615%0.14925%0.254CS..EExtended strand (participates in β ladder)trans-122.9151.7175.9-64.2-97000110L88 I130 R133 T138 M227 K228L88-F140 HydrophobicContact CD2-CD1 4.11Å; L88-F140 HydrophobicContact CD2-CE1 3.92Å; I130-F140 HydrophobicContact CB-CB 4.47Å; I130-F140 HydrophobicContact CB-CG 4.48Å; I130-F140 HydrophobicContact CD1-CB 3.96Å; I130-F140 HydrophobicContact CD1-CG 4.42Å; I130-F140 HydrophobicContact CG1-CB 3.93Å; I130-F140 HydrophobicContact CG1-CD1 4.14Å; I130-F140 HydrophobicContact CG1-CD2 4.37Å; I130-F140 HydrophobicContact CG1-CG 3.9Å; I130-F140 HydrophobicContact CG2-CB 3.73Å; I130-F140 HydrophobicContact CG2-CD2 3.95Å; I130-F140 HydrophobicContact CG2-CG 4.03Å; R133-F140 HydrophobicContact CB-CE2 3.94Å; R133-F140 HydrophobicContact CB-CZ 4.06Å; T138-F140 HydrophobicContact CG2-CD2 4.4Å; T138-F140 HydrophobicContact CG2-CE2 3.66Å; T138-F140 HydrophobicContact CG2-CZ 4.04Å; F140-M227 CarbonylContact C-O 3.47Å; F140-M227 WeakPolarHBondContact CA-O 3.38Å; F140-K228 HydrophobicContact CD1-CB 3.75Å; F140-K228 HydrophobicContact CD1-CG 4.06Å; F140-K228 HydrophobicContact CE1-CB 3.63Å; F140-K228 HydrophobicContact CE1-CD 3.71Å; F140-K228 HydrophobicContact CE1-CG 3.58Å; F140-K228 HydrophobicContact CZ-CB 4.4Å; F140-K228 HydrophobicContact CZ-CD 3.83Å; F140-K228 HydrophobicContact CZ-CG 3.85Å
141S96.2Very high94.1Very high20 Ų2053.4 Ų53.414%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-138.1143.6167.754.60000108.4M227S141-M227 PolarHBondContact N-O 2.94Å; S141-M227 PolarHBondContact O-N 2.75Å; S141-M227 WeakPolarHBondContact OG-CB 3.28Å; S141-M227 WeakPolarHBondContact OG-CE 3.12Å; S141-M227 PolarHBondContact OG-O 3.1Å
142V98.1Very high93.9Very high6 Ų652.7 Ų52.74%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-124.3129.1-174.4-173.90000108.2F127 I130 V187 L226F127-V142 HydrophobicContact CE1-CB 4.37Å; F127-V142 HydrophobicContact CE1-CG2 4.09Å; F127-V142 HydrophobicContact CZ-CB 4.41Å; F127-V142 HydrophobicContact CZ-CG2 4.48Å; I130-V142 HydrophobicContact CD1-CG2 3.46Å; I130-V142 VanDerWaalsContact CD1-CG2 3.46Å; V142-V187 HydrophobicContact CB-CG2 3.89Å; V142-V187 HydrophobicContact CG1-CG2 3.5Å; V142-V187 PolarHBondContact O-N 3Å; V142-L226 HydrophobicContact CB-CD2 4.18Å; V142-L226 HydrophobicContact CG1-CD2 3.79Å; V142-L226 HydrophobicContact CG2-CD2 3.66Å
143K98.1Very high93.7Very high64 Ų6451.7 Ų51.728%0.27825%0.248SC..EExtended strand (participates in β ladder)trans-122.7153.7171.7-56.4-176.3178.4-177.10110.4C184 E185 E186 L224 S225K143-C184 VanDerWaalsContact CB-SG 3.52Å; K143-E185 CarbonylContact C-O 3.59Å; K143-E185 WeakPolarHBondContact CA-O 3.27Å; K143-E185 WeakPolarHBondContact CB-O 3.39Å; K143-E186 HydrophobicContact CG-CB 4.47Å; K143-L224 CarbonylContact O-C 3.5Å; K143-L224 WeakPolarHBondContact O-CA 3.46Å; K143-S225 PolarHBondContact N-O 3.02Å; K143-S225 PolarHBondContact O-N 3.43Å
144M97.8Very high93.6Very high1 Ų148.2 Ų48.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-128.5136.7-176.9-179.9-175.2175.300110.3L158 C184 E185 V187 I193 R196 L197 L222 V223 L224M144-L158 HydrophobicContact CE-CD2 4.45Å; M144-L158 WeakPolarHBondContact O-CD1 3.19Å; M144-C184 WeakPolarHBondContact O-CA 3.47Å; M144-E185 PolarHBondContact N-O 3.44Å; M144-E185 PolarHBondContact O-N 2.96Å; M144-V187 HydrophobicContact CB-CG1 3.98Å; M144-V187 HydrophobicContact CB-CG2 4.36Å; M144-V187 HydrophobicContact SD-CG1 4.48Å; M144-I193 HydrophobicContact CE-CG2 4.05Å; M144-I193 HydrophobicContact SD-CB 4.17Å; M144-I193 HydrophobicContact SD-CG1 4.26Å; M144-I193 HydrophobicContact SD-CG2 3.79Å; M144-R196 HydrophobicContact CE-CB 3.98Å; M144-R196 HydrophobicContact SD-CB 3.97Å; M144-L197 HydrophobicContact CE-CB 4.32Å; M144-L222 HydrophobicContact CE-CD1 3.23Å; M144-L222 HydrophobicContact CG-CD1 3.71Å; M144-L222 HydrophobicContact SD-CD1 4.13Å; M144-V223 CarbonylContact C-O 3.52Å; M144-V223 WeakPolarHBondContact CA-O 3.41Å; M144-L224 HydrophobicContact CB-CD2 3.97Å; M144-L224 HydrophobicContact CG-CD2 3.89Å
145S98Very high93.6Very high9 Ų948.7 Ų48.76%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-127.2142.6165.2-65.90000108.9L183 C184 V223S145-L183 WeakPolarHBondContact CB-O 3.25Å; S145-L183 PolarHBondContact OG-O 2.87Å; S145-C184 WeakPolarHBondContact OG-CA 3.34Å; S145-C184 WeakPolarHBondContact OG-CB 3.42Å; S145-V223 PolarHBondContact N-O 2.79Å; S145-V223 PolarHBondContact O-N 3.16Å
146Y98.1Very high93.8Very high2 Ų243.8 Ų43.81%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-140.7126.3178.7-171.7-138.8000110.2L157 L197 N201 V221 L222Y146-L157 HydrophobicContact CD1-CB 3.48Å; Y146-L157 VanDerWaalsContact CD1-CB 3.48Å; Y146-L157 HydrophobicContact CD1-CD1 3.66Å; Y146-L157 HydrophobicContact CD1-CG 4.25Å; Y146-L157 HydrophobicContact CD2-CD1 4.31Å; Y146-L157 HydrophobicContact CE1-CB 3.96Å; Y146-L157 HydrophobicContact CE1-CD1 3.36Å; Y146-L157 HydrophobicContact CE1-CG 4.33Å; Y146-L157 HydrophobicContact CE2-CD1 4.05Å; Y146-L157 HydrophobicContact CG-CB 4.03Å; Y146-L157 HydrophobicContact CG-CD1 4.12Å; Y146-L157 WeakPolarHBondContact O-CB 3.4Å; Y146-L157 PolarHBondContact O-N 3.31Å; Y146-L197 HydrophobicContact CE1-CD1 4Å; Y146-L197 HydrophobicContact CE2-CD1 4.3Å; Y146-N201 PolarHBondContact OH-OD1 3.48Å; Y146-N201 VanDerWaalsContact OH-OD1 3.09Å; Y146-V221 VanDerWaalsContact CD2-O 3.3Å; Y146-V221 WeakPolarHBondContact CD2-O 3.28Å; Y146-L222 HydrophobicContact CD2-CB 3.9Å; Y146-L222 HydrophobicContact CD2-CD1 4.14Å; Y146-L222 HydrophobicContact CE2-CB 4.23Å; Y146-L222 HydrophobicContact CG-CD1 4.4Å
147Y96.8Very high94.1Very high14 Ų1437.7 Ų37.76%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-148.1161.6-17663.2-88.5000112.7I149 I154 R155 I179 L182 T220 V221 V223 L340Y147-I149 HydrophobicContact CD2-CG1 4.12Å; Y147-I149 HydrophobicContact CE2-CD1 4.09Å; Y147-I149 HydrophobicContact CE2-CG1 3.99Å; Y147-I154 HydrophobicContact CD2-CG2 3.87Å; Y147-I154 HydrophobicContact CG-CG2 4.28Å; Y147-R155 CarbonylContact C-O 3.56Å; Y147-R155 VanDerWaalsContact CA-O 3.25Å; Y147-R155 WeakPolarHBondContact CA-O 3.29Å; Y147-R155 WeakPolarHBondContact CB-O 3.34Å; Y147-I179 HydrophobicContact CD1-CD1 3.95Å; Y147-I179 HydrophobicContact CD2-CD1 3.91Å; Y147-I179 HydrophobicContact CE1-CD1 3.61Å; Y147-I179 HydrophobicContact CE2-CD1 3.56Å; Y147-I179 HydrophobicContact CG-CD1 4.08Å; Y147-L182 HydrophobicContact CD1-CD1 4.07Å; Y147-L182 HydrophobicContact CD1-CD2 3.67Å; Y147-L182 HydrophobicContact CE1-CD2 3.97Å; Y147-L182 HydrophobicContact CG-CD1 4.28Å; Y147-T220 WeakPolarHBondContact O-CA 3.41Å; Y147-V221 HydrophobicContact CD1-CB 4.29Å; Y147-V221 HydrophobicContact CD2-CB 4.19Å; Y147-V221 HydrophobicContact CD2-CG2 4.43Å; Y147-V221 HydrophobicContact CE1-CB 3.78Å; Y147-V221 HydrophobicContact CE1-CG1 3.81Å; Y147-V221 HydrophobicContact CE2-CB 3.67Å; Y147-V221 HydrophobicContact CE2-CG1 4.29Å; Y147-V221 HydrophobicContact CE2-CG2 3.73Å; Y147-V221 HydrophobicContact CG-CB 4.48Å; Y147-V221 VanDerWaalsContact CZ-CB 3.45Å; Y147-V221 PolarHBondContact N-O 2.89Å; Y147-V221 PolarHBondContact O-N 2.93Å; Y147-V221 WeakPolarHBondContact OH-CG1 3.34Å; Y147-V223 HydrophobicContact CE1-CG2 4.05Å; Y147-L340 HydrophobicContact CE2-CD1 4.02Å
148E94.5Very high94.3Very high1 Ų135.6 Ų35.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-115.7139.4178.3-172.3-173-156.500110.2I154 R155 L157 R204 N214 S218 H219 T220E148-I154 WeakPolarHBondContact O-CA 3.45Å; E148-R155 PolarHBondContact N-O 3.34Å; E148-R155 PolarHBondContact O-N 2.96Å; E148-R155 IonicContact OE1-NH2 3.85Å; E148-R155 PolarHBondContact OE1-NH2 3.11Å; E148-R155 IonicContact OE2-CZ 2.7Å; E148-R155 IonicContact OE2-NE 3.91Å; E148-R155 PolarHBondContact OE2-NE 3.34Å; E148-R155 IonicContact OE2-NH2 3.61Å; E148-R155 PolarHBondContact OE2-NH2 3.09Å; E148-L157 HydrophobicContact CB-CD1 4.02Å; E148-L157 HydrophobicContact CB-CD2 4.12Å; E148-L157 HydrophobicContact CB-CG 4.1Å; E148-R204 IonicContact OE1-NE 3.52Å; E148-N214 PolarHBondContact OE1-ND2 3.42Å; E148-S218 WeakPolarHBondContact OE1-CB 3.46Å; E148-S218 PolarHBondContact OE1-OG 3.11Å; E148-H219 CarbonylContact C-O 3.54Å; E148-H219 VanDerWaalsContact CA-O 3.27Å; E148-H219 WeakPolarHBondContact CA-O 3.32Å; E148-T220 HydrophobicContact CB-CG2 4.42Å; E148-T220 HydrophobicContact CG-CG2 4.3Å
149I93.7Very high94.1Very high1 Ų136.8 Ų36.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-110.8115168.3-48.4-177.2000108.3Y147 R153 I154 S218 H219 L337 L340Y147-I149 HydrophobicContact CD2-CG1 4.12Å; Y147-I149 HydrophobicContact CE2-CD1 4.09Å; Y147-I149 HydrophobicContact CE2-CG1 3.99Å; I149-R153 WeakPolarHBondContact CA-O 3.32Å; I149-I154 HydrophobicContact CG1-CG1 4.31Å; I149-S218 WeakPolarHBondContact O-CA 3.02Å; I149-H219 HydrophobicContact CB-CB 4.25Å; I149-H219 PolarHBondContact N-O 3.37Å; I149-H219 PolarHBondContact O-N 2.94Å; I149-L337 HydrophobicContact CD1-CB 4.16Å; I149-L337 HydrophobicContact CD1-CD1 4.01Å; I149-L340 HydrophobicContact CD1-CD1 3.91Å
150Y89.9Confident93.6Very high61 Ų6132.7 Ų32.724%0.23916%0.16CC..EExtended strand (participates in β ladder)trans-136.2129.9174.5177.6-108.4000109.6E152 R153 N214 R217Y150-E152 VanDerWaalsContact C-N 3.32Å; Y150-E152 PolarHBondContact O-N 3.49Å; Y150-R153 PolarHBondContact N-O 3.29Å; Y150-R153 PolarHBondContact O-N 2.86Å; Y150-N214 WeakPolarHBondContact CD1-OD1 3.12Å; Y150-N214 WeakPolarHBondContact CD2-OD1 3.35Å; Y150-N214 WeakPolarHBondContact CE2-OD1 3.45Å; Y150-R217 HydrophobicContact CD2-CB 4.34Å; Y150-R217 HydrophobicContact CE2-CB 3.84Å
151N87.2Confident92.7Very high80 Ų8037.5 Ų37.543%0.42819%0.187SC..THydrogen-bonded Turntrans50.147.4-179.6-165.426.8000113.7R153N151-R153 PolarHBondContact O-N 2.84Å; N151-R153 VanDerWaalsContact O-N 3.11Å
152E90.9Very high91.4Very high38 Ų3839.1 Ų39.118%0.17820%0.198CC..THydrogen-bonded Turntrans54.427.7-176.9-58.2-65.6107.200114.6Y150 K276 S335 L336Y150-E152 VanDerWaalsContact C-N 3.32Å; Y150-E152 PolarHBondContact O-N 3.49Å; E152-K276 HydrophobicContact CG-CB 4.41Å; E152-K276 HydrophobicContact CG-CD 3.85Å; E152-K276 HydrophobicContact CG-CG 4.4Å; E152-K276 IonicContact OE2-NZ 2.98Å; E152-S335 WeakPolarHBondContact OE2-CA 3.21Å; E152-S335 WeakPolarHBondContact OE2-CB 3.16Å; E152-L336 WeakPolarHBondContact O-CD1 3.21Å; E152-L336 PolarHBondContact OE2-N 3.07Å
153R91Very high90.1Very high131 Ų13142.9 Ų42.949%0.49422%0.221SC..EExtended strand (participates in β ladder)trans-121.2144.7169.7-63-174.1-175.6-174.72.5110.1I149 Y150 N151 R164I149-R153 WeakPolarHBondContact CA-O 3.32Å; Y150-R153 PolarHBondContact N-O 3.29Å; Y150-R153 PolarHBondContact O-N 2.86Å; N151-R153 PolarHBondContact O-N 2.84Å; N151-R153 VanDerWaalsContact O-N 3.11Å; R153-R164 PolarHBondContact NH1-O 3.16Å
154I93.5Very high88.9Confident0 Ų051 Ų510%025%0.25CS..EExtended strand (participates in β ladder)trans-104.7127.3179.5-60.6173000108.9Y147 E148 I149 G166 L167 V169 I179 L336 L340Y147-I154 HydrophobicContact CD2-CG2 3.87Å; Y147-I154 HydrophobicContact CG-CG2 4.28Å; E148-I154 WeakPolarHBondContact O-CA 3.45Å; I149-I154 HydrophobicContact CG1-CG1 4.31Å; I154-G166 CarbonylContact O-C 3.54Å; I154-G166 WeakPolarHBondContact O-CA 3.44Å; I154-L167 HydrophobicContact CB-CB 4.09Å; I154-L167 HydrophobicContact CG2-CB 4.06Å; I154-L167 HydrophobicContact CG2-CD1 4.17Å; I154-L167 HydrophobicContact CG2-CG 4.45Å; I154-L167 PolarHBondContact O-N 3.26Å; I154-V169 HydrophobicContact CD1-CG2 3.37Å; I154-I179 HydrophobicContact CD1-CD1 4.05Å; I154-I179 HydrophobicContact CD1-CG1 4Å; I154-I179 HydrophobicContact CD1-CG2 4.37Å; I154-I179 HydrophobicContact CG2-CD1 4.17Å; I154-I179 HydrophobicContact CG2-CG2 4.24Å; I154-L336 HydrophobicContact CD1-CD1 4.05Å; I154-L336 HydrophobicContact CG1-CD1 3.96Å; I154-L340 HydrophobicContact CD1-CD1 3.85Å
155R92.2Very high88.1Confident78 Ų7857.4 Ų57.429%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-114133.3171.3-65.2-166.6-70.6-143.90.2109.9Y147 E148 N214Y147-R155 CarbonylContact C-O 3.56Å; Y147-R155 VanDerWaalsContact CA-O 3.25Å; Y147-R155 WeakPolarHBondContact CA-O 3.29Å; Y147-R155 WeakPolarHBondContact CB-O 3.34Å; E148-R155 PolarHBondContact N-O 3.34Å; E148-R155 PolarHBondContact O-N 2.96Å; E148-R155 IonicContact OE1-NH2 3.85Å; E148-R155 PolarHBondContact OE1-NH2 3.11Å; E148-R155 IonicContact OE2-CZ 2.7Å; E148-R155 IonicContact OE2-NE 3.91Å; E148-R155 PolarHBondContact OE2-NE 3.34Å; E148-R155 IonicContact OE2-NH2 3.61Å; E148-R155 PolarHBondContact OE2-NH2 3.09Å; R155-N214 PolarHBondContact NH2-ND2 2.91Å
156D94.8Very high87.6Confident12 Ų1257.5 Ų57.56%0.06429%0.287CS..EExtended strand (participates in β ladder)trans-73.8127171.3-163.7-33.6000109.1L158 S159 S162 L167 L182 L183D156-L158 WeakPolarHBondContact OD1-CA 3.19Å; D156-L158 WeakPolarHBondContact OD1-CB 3.44Å; D156-L158 PolarHBondContact OD1-N 3.24Å; D156-S159 PolarHBondContact OD1-N 3.48Å; D156-S162 PolarHBondContact O-OG 3.48Å; D156-L167 HydrophobicContact CB-CD1 4.17Å; D156-L182 HydrophobicContact CB-CD1 4.32Å; D156-L183 WeakPolarHBondContact OD2-CB 3.22Å; D156-L183 PolarHBondContact OD2-N 3.25Å
157L95.1Very high87.3Confident4 Ų459.2 Ų59.22%0.02130%0.296CS..SBendtrans-96.5-2.3178.3-65.3179.3000112.6Y146 E148 F199 G200 R204 T220Y146-L157 HydrophobicContact CD1-CB 3.48Å; Y146-L157 VanDerWaalsContact CD1-CB 3.48Å; Y146-L157 HydrophobicContact CD1-CD1 3.66Å; Y146-L157 HydrophobicContact CD1-CG 4.25Å; Y146-L157 HydrophobicContact CD2-CD1 4.31Å; Y146-L157 HydrophobicContact CE1-CB 3.96Å; Y146-L157 HydrophobicContact CE1-CD1 3.36Å; Y146-L157 HydrophobicContact CE1-CG 4.33Å; Y146-L157 HydrophobicContact CE2-CD1 4.05Å; Y146-L157 HydrophobicContact CG-CB 4.03Å; Y146-L157 HydrophobicContact CG-CD1 4.12Å; Y146-L157 WeakPolarHBondContact O-CB 3.4Å; Y146-L157 PolarHBondContact O-N 3.31Å; E148-L157 HydrophobicContact CB-CD1 4.02Å; E148-L157 HydrophobicContact CB-CD2 4.12Å; E148-L157 HydrophobicContact CB-CG 4.1Å; L157-F199 WeakPolarHBondContact O-CD1 3.32Å; L157-G200 WeakPolarHBondContact O-CA 3.32Å; L157-R204 HydrophobicContact CD2-CB 4.49Å; L157-T220 HydrophobicContact CD1-CG2 4.05Å
158L94.2Very high87.2Confident12 Ų1262.9 Ų62.96%0.06332%0.32CS..SBendtrans-93.7-16.9172.4-58-175.9000112.6M144 D156 L183 E185 R196 F199M144-L158 HydrophobicContact CE-CD2 4.45Å; M144-L158 WeakPolarHBondContact O-CD1 3.19Å; D156-L158 WeakPolarHBondContact OD1-CA 3.19Å; D156-L158 WeakPolarHBondContact OD1-CB 3.44Å; D156-L158 PolarHBondContact OD1-N 3.24Å; L158-L183 HydrophobicContact CB-CB 4.43Å; L158-L183 HydrophobicContact CB-CD2 3.91Å; L158-E185 HydrophobicContact CD1-CG 4.29Å; L158-R196 HydrophobicContact CD2-CB 3.86Å; L158-F199 WeakPolarHBondContact O-CE1 3.28Å
159S88.1Confident87.2Confident36 Ų3663.3 Ų63.325%0.25232%0.323SS..  trans-120.9133.5178.9-178.30000111.9D156 N161D156-S159 PolarHBondContact OD1-N 3.48Å; S159-N161 PolarHBondContact O-N 3.13Å; S159-N161 PolarHBondContact OG-N 3.07Å
160S82.1Confident87.3Confident82 Ų8269.3 Ų69.357%0.57335%0.345SS*.SBendtrans-68.3-21.6171.356.80000112.9S162S160-S162 PolarHBondContact O-N 3.42Å
161N76.1Confident87.3Confident136 Ų13669.2 Ų69.273%0.72735%0.347SS*.  trans-85.653.8-173.5-67.2-16.2000112S159 T163S159-N161 PolarHBondContact O-N 3.13Å; S159-N161 PolarHBondContact OG-N 3.07Å; N161-T163 PolarHBondContact O-N 2.99Å
162S69.2Low87.4Confident53 Ų5368 Ų6837%0.37134%0.339SS..  trans-72.1122.3175-79.90000110.6D156 S160D156-S162 PolarHBondContact O-OG 3.48Å; S160-S162 PolarHBondContact O-N 3.42Å
163T72Confident87.1Confident86 Ų8671.9 Ų71.953%0.52837%0.367SS..  trans-63.5143.2171.657.70000110N161 N165 G166N161-T163 PolarHBondContact O-N 2.99Å; T163-N165 PolarHBondContact O-N 2.96Å; T163-N165 VanDerWaalsContact O-N 3.09Å; T163-G166 PolarHBondContact O-N 3.39Å; T163-G166 VanDerWaalsContact O-N 3.09Å; T163-G166 PolarHBondContact OG1-O 3.39Å
164R72.9Confident86.7Confident235 Ų23571.4 Ų71.489%0.88738%0.378SS*.THydrogen-bonded Turntrans-58.1-26.1178.5-76.6-171.3-175.9-177.12.4113.5R153R153-R164 PolarHBondContact NH1-O 3.16Å
165N79.4Confident86.3Confident134 Ų13475.9 Ų75.972%0.71741%0.406SS*.THydrogen-bonded Turntrans-87-10.9-177.2-65.5-7000113.2T163T163-N165 PolarHBondContact O-N 2.96Å; T163-N165 VanDerWaalsContact O-N 3.09Å
166G87.5Confident86.1Confident12 Ų1272.6 Ų72.612%0.12440%0.396CS..  trans76174.1-174.200000113.5I154 T163I154-G166 CarbonylContact O-C 3.54Å; I154-G166 WeakPolarHBondContact O-CA 3.44Å; T163-G166 PolarHBondContact O-N 3.39Å; T163-G166 VanDerWaalsContact O-N 3.09Å; T163-G166 PolarHBondContact OG1-O 3.39Å
167L93.3Very high86Confident37 Ų3773 Ų7319%0.19440%0.399CS..BIsolated β-bridgetrans-81.6155.2177.2-58.6178000111.9I154 D156 I179 L182I154-L167 HydrophobicContact CB-CB 4.09Å; I154-L167 HydrophobicContact CG2-CB 4.06Å; I154-L167 HydrophobicContact CG2-CD1 4.17Å; I154-L167 HydrophobicContact CG2-CG 4.45Å; I154-L167 PolarHBondContact O-N 3.26Å; D156-L167 HydrophobicContact CB-CD1 4.17Å; L167-I179 HydrophobicContact CB-CG2 3.52Å; L167-I179 HydrophobicContact CD1-CG2 3.67Å; L167-I179 HydrophobicContact CG-CG2 4.25Å; L167-L182 HydrophobicContact CD1-CB 3.99Å; L167-L182 HydrophobicContact CD1-CD1 3.94Å
168V93.8Very high86Confident91 Ų9176 Ų7655%0.55241%0.411SS*.EExtended strand (participates in β ladder)trans-103.2137.4-177.3179.30000110.3D180V168-D180 WeakPolarHBondContact O-CB 3.41Å; V168-D180 PolarHBondContact O-N 3.14Å
169V94.7Very high86.1Confident11 Ų1176.3 Ų76.37%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-90.3133.5173.9-177.50000109.8I154 P177 Y178 I179 L336 W339 L340I154-V169 HydrophobicContact CD1-CG2 3.37Å; V169-P177 HydrophobicContact CG1-CB 4.26Å; V169-Y178 WeakPolarHBondContact CA-O 3.31Å; V169-I179 HydrophobicContact CG2-CG1 4.35Å; V169-L336 HydrophobicContact CB-CD2 4.35Å; V169-L336 HydrophobicContact CG2-CD2 3.92Å; V169-W339 HydrophobicContact CB-CE3 3.84Å; V169-W339 HydrophobicContact CB-CH2 4.32Å; V169-W339 HydrophobicContact CB-CZ3 3.67Å; V169-W339 HydrophobicContact CG1-CD2 3.87Å; V169-W339 HydrophobicContact CG1-CE3 3.57Å; V169-W339 HydrophobicContact CG1-CH2 4.07Å; V169-W339 HydrophobicContact CG1-CZ2 4.35Å; V169-W339 HydrophobicContact CG1-CZ3 3.68Å; V169-L340 HydrophobicContact CG1-CD2 3.9Å; V169-L340 HydrophobicContact CG1-CG 4.46Å; V169-L340 HydrophobicContact CG2-CD1 4.25Å; V169-L340 HydrophobicContact CG2-CD2 4.11Å; V169-L340 HydrophobicContact CG2-CG 4.25Å
170R95.3Very high86.4Confident126 Ų12676.9 Ų76.948%0.47541%0.413SS..EExtended strand (participates in β ladder)trans-122.4169.8171.9-63.2-174.1-173.7-148.36.4109.4P177 Y178 D180R170-P177 CarbonylContact O-C 3.56Å; R170-P177 VanDerWaalsContact O-CA 3.27Å; R170-P177 WeakPolarHBondContact O-CA 3.46Å; R170-Y178 HydrophobicContact CB-CD1 4.41Å; R170-Y178 HydrophobicContact CB-CE1 3.78Å; R170-Y178 HydrophobicContact CB-CE2 4.04Å; R170-Y178 WeakPolarHBondContact CD-OH 3.38Å; R170-Y178 PolarHBondContact N-O 3.48Å; R170-Y178 PolarHBondContact O-N 3.42Å; R170-Y178 VanDerWaalsContact O-O 3.1Å; R170-D180 HydrophobicContact CG-CB 4.24Å; R170-D180 IonicContact CZ-OD2 3.49Å; R170-D180 IonicContact NE-OD2 3.37Å; R170-D180 PolarHBondContact NE-OD2 3.25Å; R170-D180 IonicContact NH2-OD2 2.79Å; R170-D180 PolarHBondContact NH2-OD2 3.31Å
171E91Very high86.8Confident59 Ų5975.1 Ų75.128%0.27641%0.407SS..EExtended strand (participates in β ladder)trans-129.1122.7178.5-172.7165.3-175.800110.2P177 R333 W339 K342E171-P177 HydrophobicContact CG-CG 4.17Å; E171-R333 IonicContact OE1-NH2 3.15Å; E171-R333 IonicContact OE2-CZ 3.45Å; E171-R333 IonicContact OE2-NE 3.83Å; E171-R333 IonicContact OE2-NH2 2.67Å; E171-R333 PolarHBondContact OE2-NH2 3.37Å; E171-W339 HydrophobicContact CB-CZ2 4.12Å; E171-W339 PolarHBondContact OE2-NE1 3.25Å; E171-W339 VanDerWaalsContact OE2-NE1 3.1Å; E171-K342 IonicContact OE1-NZ 3.55Å; E171-K342 PolarHBondContact OE1-NZ 3.42Å
172H87.5Confident87.7Confident56 Ų5669.7 Ų69.726%0.25938%0.378SS..EExtended strand (participates in β ladder)trans-88.4137.5173.5-177.6-102.1000108.9V174 T175 G176 Y178H172-V174 PolarHBondContact ND1-N 2.81Å; H172-V174 PolarHBondContact O-N 2.87Å; H172-V174 VanDerWaalsContact O-N 3.11Å; H172-T175 VanDerWaalsContact CB-OG1 3.28Å; H172-T175 WeakPolarHBondContact CB-OG1 3.09Å; H172-T175 PolarHBondContact ND1-N 2.9Å; H172-T175 PolarHBondContact ND1-OG1 3.21Å; H172-G176 PolarHBondContact N-O 2.95Å; H172-G176 WeakPolarHBondContact O-CA 3.46Å; H172-G176 PolarHBondContact O-N 3.12Å; H172-Y178 HydrophobicContact CB-CD1 4Å; H172-Y178 HydrophobicContact CB-CE1 3.87Å
173P85.9Confident88.9Confident118 Ų11870.4 Ų70.477%0.76638%0.377SS*.THydrogen-bonded Turntrans-60.9-26.5-172.721.8-34.8000114.3
174V82.9Confident90Very high122 Ų12268.9 Ų68.974%0.73937%0.37SS*.THydrogen-bonded Turntrans-103.3-41.8-176.6-177.40000112.7H172H172-V174 PolarHBondContact ND1-N 2.81Å; H172-V174 PolarHBondContact O-N 2.87Å; H172-V174 VanDerWaalsContact O-N 3.11Å
175T84.2Confident91Very high94 Ų9459.8 Ų59.858%0.57734%0.337SS*.THydrogen-bonded Turntrans-100.8-3.8-170.656.40000113H172H172-T175 VanDerWaalsContact CB-OG1 3.28Å; H172-T175 WeakPolarHBondContact CB-OG1 3.09Å; H172-T175 PolarHBondContact ND1-N 2.9Å; H172-T175 PolarHBondContact ND1-OG1 3.21Å
176G87.9Confident91.8Very high8 Ų857.5 Ų57.58%0.08232%0.322CS..EExtended strand (participates in β ladder)trans82.4-163177.500000114.5H172H172-G176 PolarHBondContact N-O 2.95Å; H172-G176 WeakPolarHBondContact O-CA 3.46Å; H172-G176 PolarHBondContact O-N 3.12Å
177P93.8Very high92.3Very high21 Ų2157.1 Ų57.114%0.13632%0.317CS..EExtended strand (participates in β ladder)trans-65.2136.5-175.9-24.638.4000112.9V169 R170 E171 W339 L340 K342V169-P177 HydrophobicContact CG1-CB 4.26Å; R170-P177 CarbonylContact O-C 3.56Å; R170-P177 VanDerWaalsContact O-CA 3.27Å; R170-P177 WeakPolarHBondContact O-CA 3.46Å; E171-P177 HydrophobicContact CG-CG 4.17Å; P177-W339 HydrophobicContact CB-CG 4.45Å; P177-W339 VanDerWaalsContact CG-CD1 3.46Å; P177-W339 HydrophobicContact CG-CG 4.38Å; P177-W339 WeakPolarHBondContact CG-O 3.46Å; P177-L340 HydrophobicContact CB-CD2 4.48Å; P177-K342 HydrophobicContact CG-CB 4.39Å; P177-K342 HydrophobicContact CG-CD 4.07Å
178Y94.8Very high92.4Very high67 Ų6764 Ų6426%0.26334%0.341SS..EExtended strand (participates in β ladder)trans-141161.1176.369.9-86.3000110.7V169 R170 H172 C465V169-Y178 WeakPolarHBondContact CA-O 3.31Å; R170-Y178 HydrophobicContact CB-CD1 4.41Å; R170-Y178 HydrophobicContact CB-CE1 3.78Å; R170-Y178 HydrophobicContact CB-CE2 4.04Å; R170-Y178 WeakPolarHBondContact CD-OH 3.38Å; R170-Y178 PolarHBondContact N-O 3.48Å; R170-Y178 PolarHBondContact O-N 3.42Å; R170-Y178 VanDerWaalsContact O-O 3.1Å; H172-Y178 HydrophobicContact CB-CD1 4Å; H172-Y178 HydrophobicContact CB-CE1 3.87Å; Y178-C465 PolarHBondContact OH-SG 3.33Å; Y178-C465 VanDerWaalsContact OH-SG 3.36Å
179I95.9Very high92.5Very high19 Ų1961.5 Ų61.510%0.09733%0.328CS..EExtended strand (participates in β ladder)trans-98.9118.6-178.7-57.7164000108.6Y147 I154 L167 V169 L182 L340Y147-I179 HydrophobicContact CD1-CD1 3.95Å; Y147-I179 HydrophobicContact CD2-CD1 3.91Å; Y147-I179 HydrophobicContact CE1-CD1 3.61Å; Y147-I179 HydrophobicContact CE2-CD1 3.56Å; Y147-I179 HydrophobicContact CG-CD1 4.08Å; I154-I179 HydrophobicContact CD1-CD1 4.05Å; I154-I179 HydrophobicContact CD1-CG1 4Å; I154-I179 HydrophobicContact CD1-CG2 4.37Å; I154-I179 HydrophobicContact CG2-CD1 4.17Å; I154-I179 HydrophobicContact CG2-CG2 4.24Å; L167-I179 HydrophobicContact CB-CG2 3.52Å; L167-I179 HydrophobicContact CD1-CG2 3.67Å; L167-I179 HydrophobicContact CG-CG2 4.25Å; V169-I179 HydrophobicContact CG2-CG1 4.35Å; I179-L182 HydrophobicContact CB-CB 3.8Å; I179-L182 HydrophobicContact CB-CD2 4.08Å; I179-L182 HydrophobicContact CD1-CD2 3.8Å; I179-L182 HydrophobicContact CG1-CD2 4.46Å; I179-L182 HydrophobicContact CG2-CB 3.75Å; I179-L340 HydrophobicContact CD1-CD1 3.89Å; I179-L340 HydrophobicContact CD1-CD2 4.1Å; I179-L340 HydrophobicContact CG1-CD1 4.15Å; I179-L340 HydrophobicContact CG1-CD2 3.68Å
180D93.7Very high92.6Very high48 Ų4864.2 Ų64.226%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-73.1127.4176.9-171.916.6000110V168 R170 L182V168-D180 WeakPolarHBondContact O-CB 3.41Å; V168-D180 PolarHBondContact O-N 3.14Å; R170-D180 HydrophobicContact CG-CB 4.24Å; R170-D180 IonicContact CZ-OD2 3.49Å; R170-D180 IonicContact NE-OD2 3.37Å; R170-D180 PolarHBondContact NE-OD2 3.25Å; R170-D180 IonicContact NH2-OD2 2.79Å; R170-D180 PolarHBondContact NH2-OD2 3.31Å; D180-L182 VanDerWaalsContact C-N 3.34Å
181G90.6Very high92.6Very high44 Ų4461.3 Ų61.345%0.45434%0.339SS..THydrogen-bonded Turntrans78.45.1-177.300000116.2
182L94.8Very high92.9Very high23 Ų2360.7 Ų60.712%0.1234%0.337CS..  trans-69.9131.7173.2-179.667.7000110.8Y147 D156 L167 I179 D180Y147-L182 HydrophobicContact CD1-CD1 4.07Å; Y147-L182 HydrophobicContact CD1-CD2 3.67Å; Y147-L182 HydrophobicContact CE1-CD2 3.97Å; Y147-L182 HydrophobicContact CG-CD1 4.28Å; D156-L182 HydrophobicContact CB-CD1 4.32Å; L167-L182 HydrophobicContact CD1-CB 3.99Å; L167-L182 HydrophobicContact CD1-CD1 3.94Å; I179-L182 HydrophobicContact CB-CB 3.8Å; I179-L182 HydrophobicContact CB-CD2 4.08Å; I179-L182 HydrophobicContact CD1-CD2 3.8Å; I179-L182 HydrophobicContact CG1-CD2 4.46Å; I179-L182 HydrophobicContact CG2-CB 3.75Å; D180-L182 VanDerWaalsContact C-N 3.34Å
183L94.9Very high93.4Very high67 Ų6758 Ų5835%0.35133%0.325SS..  trans-70.9136.5177.4-168.165.2000111.2S145 D156 L158 E185S145-L183 WeakPolarHBondContact CB-O 3.25Å; S145-L183 PolarHBondContact OG-O 2.87Å; D156-L183 WeakPolarHBondContact OD2-CB 3.22Å; D156-L183 PolarHBondContact OD2-N 3.25Å; L158-L183 HydrophobicContact CB-CB 4.43Å; L158-L183 HydrophobicContact CB-CD2 3.91Å; L183-E185 HydrophobicContact CD1-CG 4.38Å; L183-E185 HydrophobicContact CD2-CG 3.63Å; L183-E185 HydrophobicContact CG-CG 3.68Å
184C94.9Very high93.8Very high55 Ų5553.9 Ų53.937%0.37230%0.296SS..  trans-131.2100.5176.7-174.10000108.4K143 M144 S145K143-C184 VanDerWaalsContact CB-SG 3.52Å; M144-C184 WeakPolarHBondContact O-CA 3.47Å; S145-C184 WeakPolarHBondContact OG-CA 3.34Å; S145-C184 WeakPolarHBondContact OG-CB 3.42Å
185E94.8Very high94.5Very high44 Ų4454.5 Ų54.521%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-98.8141.3-172-60.8-172.6105.600111.2K143 M144 L158 L183 R196K143-E185 CarbonylContact C-O 3.59Å; K143-E185 WeakPolarHBondContact CA-O 3.27Å; K143-E185 WeakPolarHBondContact CB-O 3.39Å; M144-E185 PolarHBondContact N-O 3.44Å; M144-E185 PolarHBondContact O-N 2.96Å; L158-E185 HydrophobicContact CD1-CG 4.29Å; L183-E185 HydrophobicContact CD1-CG 4.38Å; L183-E185 HydrophobicContact CD2-CG 3.63Å; L183-E185 HydrophobicContact CG-CG 3.68Å; E185-R196 VanDerWaalsContact CD-CZ 3.5Å; E185-R196 IonicContact OE1-CZ 2.86Å; E185-R196 VanDerWaalsContact OE1-CZ 3.31Å; E185-R196 IonicContact OE1-NE 2.68Å; E185-R196 IonicContact OE1-NH1 4Å; E185-R196 PolarHBondContact OE1-NH1 2.82Å; E185-R196 VanDerWaalsContact OE1-NH1 3.14Å; E185-R196 IonicContact OE1-NH2 3.97Å; E185-R196 PolarHBondContact OE1-NH2 2.78Å; E185-R196 VanDerWaalsContact OE2-CD 3.28Å; E185-R196 WeakPolarHBondContact OE2-CD 3.2Å; E185-R196 IonicContact OE2-CZ 2.59Å; E185-R196 IonicContact OE2-NE 2.78Å; E185-R196 PolarHBondContact OE2-NE 3.06Å; E185-R196 IonicContact OE2-NH1 3.69Å; E185-R196 PolarHBondContact OE2-NH1 2.81Å
186E96.3Very high95Very high86 Ų8654 Ų5440%0.40228%0.276SS..EExtended strand (participates in β ladder)trans-75137.8172.5-166.6163-152.200110.7K143 W188K143-E186 HydrophobicContact CG-CB 4.47Å; E186-W188 HydrophobicContact CG-CH2 4.24Å; E186-W188 HydrophobicContact CG-CZ2 3.65Å; E186-W188 VanDerWaalsContact OE1-CH2 3.29Å; E186-W188 WeakPolarHBondContact OE1-CH2 3.46Å; E186-W188 WeakPolarHBondContact OE1-CZ2 3.35Å; E186-W188 WeakPolarHBondContact OE2-CZ2 3.48Å
187V97.3Very high95.4Very high3 Ų353.6 Ų53.62%0.01827%0.272CS..  trans-128.6135.5-177.8-68.10000109.6F127 V142 M144 D192 I193F127-V187 HydrophobicContact CZ-CB 4.49Å; F127-V187 HydrophobicContact CZ-CG2 4.16Å; V142-V187 HydrophobicContact CB-CG2 3.89Å; V142-V187 HydrophobicContact CG1-CG2 3.5Å; V142-V187 PolarHBondContact O-N 3Å; M144-V187 HydrophobicContact CB-CG1 3.98Å; M144-V187 HydrophobicContact CB-CG2 4.36Å; M144-V187 HydrophobicContact SD-CG1 4.48Å; V187-D192 HydrophobicContact CB-CB 4.06Å; V187-D192 HydrophobicContact CG1-CB 4.03Å; V187-I193 HydrophobicContact CB-CG1 4Å; V187-I193 HydrophobicContact CG1-CG1 4.13Å; V187-I193 HydrophobicContact CG2-CD1 4.12Å; V187-I193 HydrophobicContact CG2-CG1 3.84Å
188W95.5Very high95.5Very high182 Ų18254.8 Ų54.869%0.68928%0.277SS*.  trans-114.2-10.5-171.6-56.395.5000112.8F127 E186 D192F127-W188 VanDerWaalsContact CE1-C 3.45Å; E186-W188 HydrophobicContact CG-CH2 4.24Å; E186-W188 HydrophobicContact CG-CZ2 3.65Å; E186-W188 VanDerWaalsContact OE1-CH2 3.29Å; E186-W188 WeakPolarHBondContact OE1-CH2 3.46Å; E186-W188 WeakPolarHBondContact OE1-CZ2 3.35Å; E186-W188 WeakPolarHBondContact OE2-CZ2 3.48Å; W188-D192 PolarHBondContact N-OD2 3.31Å
189S96.2Very high95.5Very high39 Ų3954.8 Ų54.827%0.27328%0.279SS..SBendtrans-152.6161.5-177.667.40000112.3F127 S191 D192 I193F127-S189 WeakPolarHBondContact CE2-O 3.28Å; S189-S191 PolarHBondContact O-N 2.87Å; S189-D192 PolarHBondContact N-OD2 2.75Å; S189-D192 PolarHBondContact O-N 3.44Å; S189-D192 VanDerWaalsContact O-N 3.11Å; S189-D192 PolarHBondContact OG-N 3.45Å; S189-D192 PolarHBondContact OG-OD2 2.83Å; S189-I193 PolarHBondContact O-N 3.23Å
190E95.6Very high95.4Very high67 Ų6753.9 Ų53.931%0.31327%0.274SS..Hα-helixtrans-52.5-40.8170.3179.2-169.317400111.1S123 K124 F127 D192 I193 I194S123-E190 WeakPolarHBondContact O-CB 3.25Å; K124-E190 HydrophobicContact CB-CG 4.19Å; K124-E190 WeakPolarHBondContact CG-OE2 3.3Å; F127-E190 VanDerWaalsContact CD2-N 3.34Å; F127-E190 VanDerWaalsContact CE2-N 3.34Å; E190-D192 VanDerWaalsContact C-N 3.28Å; E190-D192 PolarHBondContact O-N 2.87Å; E190-I193 PolarHBondContact O-N 3.03Å; E190-I194 HydrophobicContact CG-CD1 3.69Å; E190-I194 HydrophobicContact CG-CG1 4.31Å; E190-I194 WeakPolarHBondContact O-CG1 3.49Å; E190-I194 PolarHBondContact O-N 3.29Å; E190-I194 WeakPolarHBondContact OE1-CD1 3.35Å
191S96.3Very high95.3Very high66 Ų6653.4 Ų53.446%0.46227%0.272SS..Hα-helixtrans-60.7-35.2-179.7-73.20000112.8S189 K195S189-S191 PolarHBondContact O-N 2.87Å; S191-K195 WeakPolarHBondContact O-CB 3.36Å; S191-K195 WeakPolarHBondContact O-CD 3.35Å; S191-K195 WeakPolarHBondContact O-CG 3.33Å; S191-K195 PolarHBondContact O-N 3.37Å
192D97.3Very high95.3Very high46 Ų4658.1 Ų58.125%0.24628%0.276CS..Hα-helixtrans-66.8-46.3177.8-59.6-35.8000110.7V187 W188 S189 E190 I194 K195 R196V187-D192 HydrophobicContact CB-CB 4.06Å; V187-D192 HydrophobicContact CG1-CB 4.03Å; W188-D192 PolarHBondContact N-OD2 3.31Å; S189-D192 PolarHBondContact N-OD2 2.75Å; S189-D192 PolarHBondContact O-N 3.44Å; S189-D192 VanDerWaalsContact O-N 3.11Å; S189-D192 PolarHBondContact OG-N 3.45Å; S189-D192 PolarHBondContact OG-OD2 2.83Å; E190-D192 VanDerWaalsContact C-N 3.28Å; E190-D192 PolarHBondContact O-N 2.87Å; D192-I194 PolarHBondContact O-N 3.4Å; D192-K195 PolarHBondContact O-N 2.91Å; D192-R196 WeakPolarHBondContact O-CB 3.24Å; D192-R196 VanDerWaalsContact O-CG 3.25Å; D192-R196 WeakPolarHBondContact O-CG 3.25Å; D192-R196 PolarHBondContact O-N 2.7Å; D192-R196 VanDerWaalsContact O-N 3.11Å
193I97.3Very high95.1Very high0 Ų059.7 Ų59.70%028%0.284CS..Hα-helixtrans-61.2-47.3178-60.8177.3000110.3S123 V126 F127 M144 V187 S189 E190 R196 L197 L224S123-I193 WeakPolarHBondContact OG-CG2 3.49Å; V126-I193 HydrophobicContact CG1-CD1 4.44Å; F127-I193 HydrophobicContact CE2-CD1 3.65Å; F127-I193 HydrophobicContact CE2-CG1 4.34Å; F127-I193 HydrophobicContact CZ-CD1 4.17Å; M144-I193 HydrophobicContact CE-CG2 4.05Å; M144-I193 HydrophobicContact SD-CB 4.17Å; M144-I193 HydrophobicContact SD-CG1 4.26Å; M144-I193 HydrophobicContact SD-CG2 3.79Å; V187-I193 HydrophobicContact CB-CG1 4Å; V187-I193 HydrophobicContact CG1-CG1 4.13Å; V187-I193 HydrophobicContact CG2-CD1 4.12Å; V187-I193 HydrophobicContact CG2-CG1 3.84Å; S189-I193 PolarHBondContact O-N 3.23Å; E190-I193 PolarHBondContact O-N 3.03Å; I193-R196 PolarHBondContact O-N 3.04Å; I193-L197 VanDerWaalsContact O-CB 3.27Å; I193-L197 WeakPolarHBondContact O-CB 3.39Å; I193-L197 PolarHBondContact O-N 3.37Å; I193-L224 HydrophobicContact CD1-CD1 4.36Å; I193-L224 HydrophobicContact CD1-CD2 4Å; I193-L224 HydrophobicContact CG2-CD2 4.5Å
194I96Very high94.8Very high30 Ų3057.4 Ų57.415%0.15427%0.271CS..Hα-helixtrans-61.8-47-179.9-72.2175.6000111.4E190 D192 R196 L197 D198E190-I194 HydrophobicContact CG-CD1 3.69Å; E190-I194 HydrophobicContact CG-CG1 4.31Å; E190-I194 WeakPolarHBondContact O-CG1 3.49Å; E190-I194 PolarHBondContact O-N 3.29Å; E190-I194 WeakPolarHBondContact OE1-CD1 3.35Å; D192-I194 PolarHBondContact O-N 3.4Å; I194-R196 VanDerWaalsContact C-N 3.28Å; I194-R196 PolarHBondContact O-N 2.86Å; I194-L197 PolarHBondContact O-N 2.86Å; I194-D198 WeakPolarHBondContact CG2-OD2 3.41Å; I194-D198 WeakPolarHBondContact O-CB 3.39Å; I194-D198 PolarHBondContact O-N 3.37Å
195K96.2Very high94.3Very high136 Ų13657.8 Ų57.859%0.59128%0.278SS*.Hα-helixtrans-59.1-41.4179.3-76.3169.7-174.31720111.7S191 D192 F199S191-K195 WeakPolarHBondContact O-CB 3.36Å; S191-K195 WeakPolarHBondContact O-CD 3.35Å; S191-K195 WeakPolarHBondContact O-CG 3.33Å; S191-K195 PolarHBondContact O-N 3.37Å; D192-K195 PolarHBondContact O-N 2.91Å; K195-F199 WeakPolarHBondContact O-CB 3.46Å; K195-F199 PolarHBondContact O-N 3.09Å
196R96.1Very high93.4Very high83 Ų8361.8 Ų61.831%0.31331%0.305SS..Hα-helixtrans-72-40.2179.1-67.5-68.3169.963.9-4112.2M144 L158 E185 D192 I193 I194 F199 G200M144-R196 HydrophobicContact CE-CB 3.98Å; M144-R196 HydrophobicContact SD-CB 3.97Å; L158-R196 HydrophobicContact CD2-CB 3.86Å; E185-R196 VanDerWaalsContact CD-CZ 3.5Å; E185-R196 IonicContact OE1-CZ 2.86Å; E185-R196 VanDerWaalsContact OE1-CZ 3.31Å; E185-R196 IonicContact OE1-NE 2.68Å; E185-R196 IonicContact OE1-NH1 4Å; E185-R196 PolarHBondContact OE1-NH1 2.82Å; E185-R196 VanDerWaalsContact OE1-NH1 3.14Å; E185-R196 IonicContact OE1-NH2 3.97Å; E185-R196 PolarHBondContact OE1-NH2 2.78Å; E185-R196 VanDerWaalsContact OE2-CD 3.28Å; E185-R196 WeakPolarHBondContact OE2-CD 3.2Å; E185-R196 IonicContact OE2-CZ 2.59Å; E185-R196 IonicContact OE2-NE 2.78Å; E185-R196 PolarHBondContact OE2-NE 3.06Å; E185-R196 IonicContact OE2-NH1 3.69Å; E185-R196 PolarHBondContact OE2-NH1 2.81Å; D192-R196 WeakPolarHBondContact O-CB 3.24Å; D192-R196 VanDerWaalsContact O-CG 3.25Å; D192-R196 WeakPolarHBondContact O-CG 3.25Å; D192-R196 PolarHBondContact O-N 2.7Å; D192-R196 VanDerWaalsContact O-N 3.11Å; I193-R196 PolarHBondContact O-N 3.04Å; I194-R196 VanDerWaalsContact C-N 3.28Å; I194-R196 PolarHBondContact O-N 2.86Å; R196-F199 PolarHBondContact O-N 3.5Å; R196-G200 PolarHBondContact O-N 3.37Å
197L95.7Very high92.2Very high0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-58.9-48.6172.2-178.370.3000111I119 M144 Y146 I193 I194 F199 G200 N201I119-L197 HydrophobicContact CG2-CD1 4.32Å; I119-L197 HydrophobicContact CG2-CD2 3.64Å; M144-L197 HydrophobicContact CE-CB 4.32Å; Y146-L197 HydrophobicContact CE1-CD1 4Å; Y146-L197 HydrophobicContact CE2-CD1 4.3Å; I193-L197 VanDerWaalsContact O-CB 3.27Å; I193-L197 WeakPolarHBondContact O-CB 3.39Å; I193-L197 PolarHBondContact O-N 3.37Å; I194-L197 PolarHBondContact O-N 2.86Å; L197-F199 VanDerWaalsContact C-N 3.35Å; L197-F199 PolarHBondContact O-N 2.88Å; L197-G200 PolarHBondContact O-N 3.09Å; L197-N201 WeakPolarHBondContact O-CB 3.38Å; L197-N201 VanDerWaalsContact O-CG 3.3Å; L197-N201 PolarHBondContact O-N 3.24Å; L197-N201 PolarHBondContact O-ND2 2.93Å
198D95Very high90.9Very high46 Ų4661.1 Ų61.125%0.24631%0.314CS..Hα-helixtrans-67.7-35.4-180-71.2-26000112.1R120 I194 R202R120-D198 IonicContact CZ-OD1 2.7Å; R120-D198 IonicContact NH1-OD2 2.84Å; R120-D198 IonicContact NH2-OD1 3.53Å; R120-D198 PolarHBondContact NH2-OD1 3.02Å; R120-D198 IonicContact NH2-OD2 2.76Å; R120-D198 PolarHBondContact NH2-OD2 3.45Å; I194-D198 WeakPolarHBondContact CG2-OD2 3.41Å; I194-D198 WeakPolarHBondContact O-CB 3.39Å; I194-D198 PolarHBondContact O-N 3.37Å; D198-R202 WeakPolarHBondContact O-CG 3.35Å; D198-R202 PolarHBondContact O-N 3.41Å; D198-R202 PolarHBondContact O-NH1 3.39Å
199F95.2Very high89.4Confident66 Ų6656 Ų5629%0.28930%0.303SS..Hα-helixtrans-60.3-50.4171174.5-98.5000111.9L157 L158 K195 R196 L197 N201 R202 L203L157-F199 WeakPolarHBondContact O-CD1 3.32Å; L158-F199 WeakPolarHBondContact O-CE1 3.28Å; K195-F199 WeakPolarHBondContact O-CB 3.46Å; K195-F199 PolarHBondContact O-N 3.09Å; R196-F199 PolarHBondContact O-N 3.5Å; L197-F199 VanDerWaalsContact C-N 3.35Å; L197-F199 PolarHBondContact O-N 2.88Å; F199-N201 VanDerWaalsContact C-N 3.34Å; F199-N201 PolarHBondContact O-N 3.09Å; F199-R202 WeakPolarHBondContact O-CB 3.41Å; F199-R202 PolarHBondContact O-N 3.04Å; F199-L203 HydrophobicContact CD1-CD1 4.12Å; F199-L203 HydrophobicContact CE1-CD1 3.46Å; F199-L203 VanDerWaalsContact CE1-CD1 3.46Å; F199-L203 HydrophobicContact CE1-CG 4.17Å; F199-L203 HydrophobicContact CZ-CD1 3.77Å; F199-L203 HydrophobicContact CZ-CD2 4.39Å; F199-L203 HydrophobicContact CZ-CG 4.18Å; F199-L203 PolarHBondContact O-N 3.11Å
200G93.5Very high87.6Confident0 Ų060.1 Ų60.10%033%0.332CS..Hα-helixtrans-62.5-39.6177.800000113.3L157 R196 L197 R202 L203 R204L157-G200 WeakPolarHBondContact O-CA 3.32Å; R196-G200 PolarHBondContact O-N 3.37Å; L197-G200 PolarHBondContact O-N 3.09Å; G200-R202 VanDerWaalsContact C-N 3.32Å; G200-R202 PolarHBondContact O-N 3.3Å; G200-L203 PolarHBondContact O-N 3Å; G200-R204 PolarHBondContact O-N 3.04Å
201N92.3Very high85.7Confident38 Ų3864.3 Ų64.320%0.20336%0.356CS..Hα-helixtrans-63-37.6174.8-75.5-31000112.4Y146 L197 F199 R204 A205Y146-N201 PolarHBondContact OH-OD1 3.48Å; Y146-N201 VanDerWaalsContact OH-OD1 3.09Å; L197-N201 WeakPolarHBondContact O-CB 3.38Å; L197-N201 VanDerWaalsContact O-CG 3.3Å; L197-N201 PolarHBondContact O-N 3.24Å; L197-N201 PolarHBondContact O-ND2 2.93Å; F199-N201 VanDerWaalsContact C-N 3.34Å; F199-N201 PolarHBondContact O-N 3.09Å; N201-R204 PolarHBondContact O-N 3.46Å; N201-A205 WeakPolarHBondContact O-CB 3.38Å; N201-A205 PolarHBondContact O-N 3.11Å
202R90.7Very high83.8Confident143 Ų14364.8 Ų64.854%0.5435%0.353SS..Hα-helixtrans-64.9-44.1173.4-74.4-173.3-61.8-87.84.3111.9D198 F199 G200 R204 A205 V206D198-R202 WeakPolarHBondContact O-CG 3.35Å; D198-R202 PolarHBondContact O-N 3.41Å; D198-R202 PolarHBondContact O-NH1 3.39Å; F199-R202 WeakPolarHBondContact O-CB 3.41Å; F199-R202 PolarHBondContact O-N 3.04Å; G200-R202 VanDerWaalsContact C-N 3.32Å; G200-R202 PolarHBondContact O-N 3.3Å; R202-R204 VanDerWaalsContact C-N 3.26Å; R202-R204 PolarHBondContact O-N 3.23Å; R202-A205 PolarHBondContact O-N 2.99Å; R202-V206 WeakPolarHBondContact O-CG2 3.33Å; R202-V206 PolarHBondContact O-N 3.38Å
203L89Confident82.5Confident57 Ų5768 Ų6830%0.29837%0.367SS..Hα-helixtrans-57.6-42175.5-70.7-179.9000111.6F199 G200 A207F199-L203 HydrophobicContact CD1-CD1 4.12Å; F199-L203 HydrophobicContact CE1-CD1 3.46Å; F199-L203 VanDerWaalsContact CE1-CD1 3.46Å; F199-L203 HydrophobicContact CE1-CG 4.17Å; F199-L203 HydrophobicContact CZ-CD1 3.77Å; F199-L203 HydrophobicContact CZ-CD2 4.39Å; F199-L203 HydrophobicContact CZ-CG 4.18Å; F199-L203 PolarHBondContact O-N 3.11Å; G200-L203 PolarHBondContact O-N 3Å; L203-A207 PolarHBondContact O-N 3.05Å
204R89.3Confident81.2Confident18 Ų1868.3 Ų68.37%0.06837%0.368CS..Hα-helixtrans-65.4-41.8176.5-175.4176.1171.6-158.5-0.3112.6E148 L157 G200 N201 R202 A207 A208 S215 S218 T220E148-R204 IonicContact OE1-NE 3.52Å; L157-R204 HydrophobicContact CD2-CB 4.49Å; G200-R204 PolarHBondContact O-N 3.04Å; N201-R204 PolarHBondContact O-N 3.46Å; R202-R204 VanDerWaalsContact C-N 3.26Å; R202-R204 PolarHBondContact O-N 3.23Å; R204-A207 PolarHBondContact O-N 3.48Å; R204-A208 PolarHBondContact O-N 2.68Å; R204-S215 PolarHBondContact NH2-O 2.89Å; R204-S218 PolarHBondContact NE-OG 2.93Å; R204-S218 VanDerWaalsContact NE-OG 3.13Å; R204-S218 PolarHBondContact NH2-OG 3.35Å; R204-T220 VanDerWaalsContact CZ-CG2 3.49Å; R204-T220 PolarHBondContact NH1-OG1 3.3Å
205A84.4Confident80.5Confident64 Ų6469.3 Ų69.353%0.52938%0.378SS..Hα-helixtrans-64.6-40.5178.700000112.2N201 R202 A207 A208N201-A205 WeakPolarHBondContact O-CB 3.38Å; N201-A205 PolarHBondContact O-N 3.11Å; R202-A205 PolarHBondContact O-N 2.99Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 3.02Å; A205-A208 PolarHBondContact O-N 3.06Å; A205-A208 VanDerWaalsContact O-N 3.1Å
206V76.8Confident79.9Confident128 Ų12863.9 Ų63.978%0.77636%0.358SS*.Hα-helixtrans-64.1-33.5176.4173.40000111.8R202 A208R202-V206 WeakPolarHBondContact O-CG2 3.33Å; R202-V206 PolarHBondContact O-N 3.38Å; V206-A208 VanDerWaalsContact C-N 3.3Å
207A71.4Confident79.5Confident43 Ų4362.9 Ų62.936%0.35535%0.354SS..Hα-helixtrans-75.5-18175.600000113.5L203 R204 A205L203-A207 PolarHBondContact O-N 3.05Å; R204-A207 PolarHBondContact O-N 3.48Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 3.02Å
208A69.8Low79.3Confident31 Ų3162.9 Ų62.926%0.25635%0.354SS..  trans-85.4111.3178.300000110.1R204 A205 V206 N214R204-A208 PolarHBondContact O-N 2.68Å; A205-A208 PolarHBondContact O-N 3.06Å; A205-A208 VanDerWaalsContact O-N 3.1Å; V206-A208 VanDerWaalsContact C-N 3.3Å; A208-N214 HydrophobicContact CB-CB 3.99Å
209T64.2Low79.3Confident74 Ų7460.9 Ų60.945%0.45434%0.343SS..BIsolated β-bridgetrans-92.7157169.456.20000109.7L211 N212 E213T209-L211 PolarHBondContact O-N 2.78Å; T209-L211 VanDerWaalsContact O-N 3.1Å; T209-N212 PolarHBondContact N-O 3.46Å; T209-N212 CarbonylContact O-C 2.94Å; T209-N212 WeakPolarHBondContact O-CA 3.36Å; T209-N212 PolarHBondContact O-N 2.86Å; T209-E213 PolarHBondContact O-N 2.9Å
210S57.1Low79.3Confident126 Ų12658 Ų5888%0.88133%0.33SS*.THydrogen-bonded Turntrans-57.1-28.7179.455.80000113.7
211L55Low79.6Confident156 Ų15658 Ų5882%0.81733%0.331SS*.THydrogen-bonded Turntrans-76.4-22.8174.4-65.5173.8000113.1T209T209-L211 PolarHBondContact O-N 2.78Å; T209-L211 VanDerWaalsContact O-N 3.1Å
212N58.1Low79.9Confident75 Ų7556.3 Ų56.340%0.40132%0.322SS..BIsolated β-bridgetrans-130.881.5-178.3-66.3-42.1000108.2T209 N214T209-N212 PolarHBondContact N-O 3.46Å; T209-N212 CarbonylContact O-C 2.94Å; T209-N212 WeakPolarHBondContact O-CA 3.36Å; T209-N212 PolarHBondContact O-N 2.86Å; N212-N214 PolarHBondContact O-N 2.91Å
213E68.5Low80.2Confident114 Ų11450.4 Ų50.453%0.53330%0.302SS..  trans-62.174.2169.9-165175.5-15600109.1T209 S215 S216T209-E213 PolarHBondContact O-N 2.9Å; E213-S215 PolarHBondContact O-N 3.06Å; E213-S216 PolarHBondContact O-N 3.02Å; E213-S216 PolarHBondContact O-OG 2.89Å
214N71.4Confident80.7Confident6 Ų647.9 Ų47.93%0.03229%0.288CS..Hα-helixtrans-65.7-31.5-167.7175.671.2000109.4E148 Y150 R155 A208 N212 S216 R217 S218E148-N214 PolarHBondContact OE1-ND2 3.42Å; Y150-N214 WeakPolarHBondContact CD1-OD1 3.12Å; Y150-N214 WeakPolarHBondContact CD2-OD1 3.35Å; Y150-N214 WeakPolarHBondContact CE2-OD1 3.45Å; R155-N214 PolarHBondContact NH2-ND2 2.91Å; A208-N214 HydrophobicContact CB-CB 3.99Å; N212-N214 PolarHBondContact O-N 2.91Å; N214-S216 PolarHBondContact O-N 2.8Å; N214-R217 CarbonylContact O-C 3.59Å; N214-R217 PolarHBondContact O-N 3.18Å; N214-R217 VanDerWaalsContact O-N 3.15Å; N214-S218 VanDerWaalsContact O-CB 3.23Å; N214-S218 WeakPolarHBondContact O-CB 3.07Å; N214-S218 PolarHBondContact O-N 3.47Å; N214-S218 PolarHBondContact O-OG 2.62Å; N214-S218 VanDerWaalsContact O-OG 3.06Å
215S80.1Confident81.1Confident51 Ų5148 Ų4836%0.35729%0.292SS..Hα-helixtrans-59.7-41.4176.455.90000112.7R204 E213 R217 S218R204-S215 PolarHBondContact NH2-O 2.89Å; E213-S215 PolarHBondContact O-N 3.06Å; S215-R217 VanDerWaalsContact C-N 3.25Å; S215-R217 PolarHBondContact O-N 2.91Å; S215-S218 PolarHBondContact O-OG 2.84Å
216S85Confident81.7Confident23 Ų2345.3 Ų45.316%0.16127%0.269CS..Hα-helixtrans-73.1-19.6179.262.30000113.1E213 N214 A253 G254E213-S216 PolarHBondContact O-N 3.02Å; E213-S216 PolarHBondContact O-OG 2.89Å; N214-S216 PolarHBondContact O-N 2.8Å; S216-A253 WeakPolarHBondContact O-CA 3.27Å; S216-A253 WeakPolarHBondContact O-CB 3.27Å; S216-G254 PolarHBondContact O-N 3.34Å
217R87.1Confident82.6Confident62 Ų6243 Ų4323%0.23425%0.25CS..Hα-helixtrans-106.4-6.6-174.3-60.3177.167.5179.2-2.1114.4Y150 N214 S215Y150-R217 HydrophobicContact CD2-CB 4.34Å; Y150-R217 HydrophobicContact CE2-CB 3.84Å; N214-R217 CarbonylContact O-C 3.59Å; N214-R217 PolarHBondContact O-N 3.18Å; N214-R217 VanDerWaalsContact O-N 3.15Å; S215-R217 VanDerWaalsContact C-N 3.25Å; S215-R217 PolarHBondContact O-N 2.91Å
218S90.8Very high83.7Confident0 Ų043.6 Ų43.60%025%0.245CC..  trans-103149.6178.4670000111.6E148 I149 R204 N214 S215E148-S218 WeakPolarHBondContact OE1-CB 3.46Å; E148-S218 PolarHBondContact OE1-OG 3.11Å; I149-S218 WeakPolarHBondContact O-CA 3.02Å; R204-S218 PolarHBondContact NE-OG 2.93Å; R204-S218 VanDerWaalsContact NE-OG 3.13Å; R204-S218 PolarHBondContact NH2-OG 3.35Å; N214-S218 VanDerWaalsContact O-CB 3.23Å; N214-S218 WeakPolarHBondContact O-CB 3.07Å; N214-S218 PolarHBondContact O-N 3.47Å; N214-S218 PolarHBondContact O-OG 2.62Å; N214-S218 VanDerWaalsContact O-OG 3.06Å; S215-S218 PolarHBondContact O-OG 2.84Å
219H95.1Very high84.8Confident3 Ų345.7 Ų45.71%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-94.2136.5165.7-48.5-72.9000109.4E148 I149 D251 L252 A253 S277 L337E148-H219 CarbonylContact C-O 3.54Å; E148-H219 VanDerWaalsContact CA-O 3.27Å; E148-H219 WeakPolarHBondContact CA-O 3.32Å; I149-H219 HydrophobicContact CB-CB 4.25Å; I149-H219 PolarHBondContact N-O 3.37Å; I149-H219 PolarHBondContact O-N 2.94Å; H219-D251 CarbonylContact C-O 3.12Å; H219-D251 WeakPolarHBondContact CA-O 3.47Å; H219-L252 HydrophobicContact CB-CD2 4.45Å; H219-L252 VanDerWaalsContact ND1-CA 3.33Å; H219-L252 WeakPolarHBondContact ND1-CA 3.43Å; H219-L252 WeakPolarHBondContact ND1-CD2 3.27Å; H219-A253 VanDerWaalsContact CE1-CB 3.43Å; H219-A253 WeakPolarHBondContact CE1-CB 3.37Å; H219-A253 PolarHBondContact CE1-N 3.41Å; H219-A253 VanDerWaalsContact CE1-N 3.34Å; H219-A253 PolarHBondContact ND1-N 2.9Å; H219-S277 PolarHBondContact NE2-OG 3.26Å; H219-L337 HydrophobicContact CB-CD1 4.34Å
220T96.4Very high86.1Confident5 Ų543 Ų433%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-112.7136.1168.150.90000111.2Y147 E148 L157 R204 V250 D251Y147-T220 WeakPolarHBondContact O-CA 3.41Å; E148-T220 HydrophobicContact CB-CG2 4.42Å; E148-T220 HydrophobicContact CG-CG2 4.3Å; L157-T220 HydrophobicContact CD1-CG2 4.05Å; R204-T220 VanDerWaalsContact CZ-CG2 3.49Å; R204-T220 PolarHBondContact NH1-OG1 3.3Å; T220-V250 WeakPolarHBondContact O-CA 3.49Å; T220-D251 PolarHBondContact N-O 2.7Å; T220-D251 PolarHBondContact O-N 3.19Å
221V98.3Very high87.6Confident1 Ų138.8 Ų38.81%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-126.4115.6-177.5-174.20000108.9Y146 Y147 V223 T248 V250Y146-V221 VanDerWaalsContact CD2-O 3.3Å; Y146-V221 WeakPolarHBondContact CD2-O 3.28Å; Y147-V221 HydrophobicContact CD1-CB 4.29Å; Y147-V221 HydrophobicContact CD2-CB 4.19Å; Y147-V221 HydrophobicContact CD2-CG2 4.43Å; Y147-V221 HydrophobicContact CE1-CB 3.78Å; Y147-V221 HydrophobicContact CE1-CG1 3.81Å; Y147-V221 HydrophobicContact CE2-CB 3.67Å; Y147-V221 HydrophobicContact CE2-CG1 4.29Å; Y147-V221 HydrophobicContact CE2-CG2 3.73Å; Y147-V221 HydrophobicContact CG-CB 4.48Å; Y147-V221 VanDerWaalsContact CZ-CB 3.45Å; Y147-V221 PolarHBondContact N-O 2.89Å; Y147-V221 PolarHBondContact O-N 2.93Å; Y147-V221 WeakPolarHBondContact OH-CG1 3.34Å; V221-V223 HydrophobicContact CG1-CG2 3.91Å; V221-T248 HydrophobicContact CG1-CG2 3.67Å; V221-V250 HydrophobicContact CG1-CG2 4.2Å; V221-V250 HydrophobicContact CG2-CG1 4.09Å; V221-V250 HydrophobicContact CG2-CG2 4.29Å
222L98.4Very high88.9Confident3 Ų334 Ų342%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-97.3129.5168.4175.565.9000108.9I119 M144 Y146 L224 T248 V249I119-L222 HydrophobicContact CB-CD2 4.3Å; I119-L222 HydrophobicContact CD1-CB 4.31Å; I119-L222 HydrophobicContact CD1-CD2 3.89Å; I119-L222 HydrophobicContact CG1-CD2 3.99Å; I119-L222 HydrophobicContact CG2-CD2 3.39Å; M144-L222 HydrophobicContact CE-CD1 3.23Å; M144-L222 HydrophobicContact CG-CD1 3.71Å; M144-L222 HydrophobicContact SD-CD1 4.13Å; Y146-L222 HydrophobicContact CD2-CB 3.9Å; Y146-L222 HydrophobicContact CD2-CD1 4.14Å; Y146-L222 HydrophobicContact CE2-CB 4.23Å; Y146-L222 HydrophobicContact CG-CD1 4.4Å; L222-L224 HydrophobicContact CD1-CD2 4.42Å; L222-T248 CarbonylContact O-C 3.58Å; L222-T248 WeakPolarHBondContact O-CA 3.4Å; L222-V249 PolarHBondContact N-O 3.16Å; L222-V249 PolarHBondContact O-N 3.46Å
223V98.5Very high90.1Very high19 Ų1938.3 Ų38.312%0.11519%0.192CC..EExtended strand (participates in β ladder)trans-121.7115.8176.1-172.80000108.8M144 S145 Y147 V221 H246 I247 T248M144-V223 CarbonylContact C-O 3.52Å; M144-V223 WeakPolarHBondContact CA-O 3.41Å; S145-V223 PolarHBondContact N-O 2.79Å; S145-V223 PolarHBondContact O-N 3.16Å; Y147-V223 HydrophobicContact CE1-CG2 4.05Å; V221-V223 HydrophobicContact CG1-CG2 3.91Å; V223-H246 HydrophobicContact CG1-CB 4.22Å; V223-I247 WeakPolarHBondContact CA-O 3.22Å; V223-T248 HydrophobicContact CG2-CG2 4.34Å
224L98.4Very high90.4Very high3 Ų336.5 Ų36.52%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-96.8113.3166.2-56.8178.7000108.3I122 K143 M144 I193 L222 H246 I247I122-L224 HydrophobicContact CG2-CD1 3.93Å; K143-L224 CarbonylContact O-C 3.5Å; K143-L224 WeakPolarHBondContact O-CA 3.46Å; M144-L224 HydrophobicContact CB-CD2 3.97Å; M144-L224 HydrophobicContact CG-CD2 3.89Å; I193-L224 HydrophobicContact CD1-CD1 4.36Å; I193-L224 HydrophobicContact CD1-CD2 4Å; I193-L224 HydrophobicContact CG2-CD2 4.5Å; L222-L224 HydrophobicContact CD1-CD2 4.42Å; L224-H246 CarbonylContact O-C 3.51Å; L224-H246 WeakPolarHBondContact O-CA 3.49Å; L224-I247 HydrophobicContact CB-CB 4.26Å; L224-I247 PolarHBondContact N-O 3.23Å; L224-I247 PolarHBondContact O-N 2.89Å
225S97.9Very high90.5Very high22 Ų2241.8 Ų41.815%0.15421%0.21CC..EExtended strand (participates in β ladder)trans-93.7114.2176-55.30000109.1K143 S245 H246K143-S225 PolarHBondContact N-O 3.02Å; K143-S225 PolarHBondContact O-N 3.43Å; S225-S245 CarbonylContact C-O 3.53Å; S225-S245 WeakPolarHBondContact CA-O 3.43Å; S225-H246 PolarHBondContact OG-CE1 3.01Å; S225-H246 VanDerWaalsContact OG-CE1 3.32Å; S225-H246 PolarHBondContact OG-ND1 3.37Å
226L97.4Very high90.2Very high7 Ų741 Ų414%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-100.6132.9178.5-54175.7000108.9A87 L88 V126 V142 S244 S245 I247A87-L226 HydrophobicContact CB-CD1 3.82Å; L88-L226 HydrophobicContact CD2-CD1 4.04Å; L88-L226 HydrophobicContact CG-CD1 4.4Å; V126-L226 HydrophobicContact CG2-CD2 3.89Å; V142-L226 HydrophobicContact CB-CD2 4.18Å; V142-L226 HydrophobicContact CG1-CD2 3.79Å; V142-L226 HydrophobicContact CG2-CD2 3.66Å; L226-S244 WeakPolarHBondContact O-CA 3.41Å; L226-S245 PolarHBondContact N-O 2.9Å; L226-S245 PolarHBondContact O-N 3.25Å; L226-I247 HydrophobicContact CD1-CD1 3.93Å; L226-I247 HydrophobicContact CD1-CG1 4.27Å
227M96.1Very high89.7Confident78 Ų7841 Ų4138%0.38421%0.205SC..EExtended strand (participates in β ladder)trans-123.8116.7171.3178-179.672.300108.7F140 S141 M242 Y243F140-M227 CarbonylContact C-O 3.47Å; F140-M227 WeakPolarHBondContact CA-O 3.38Å; S141-M227 PolarHBondContact N-O 2.94Å; S141-M227 PolarHBondContact O-N 2.75Å; S141-M227 WeakPolarHBondContact OG-CB 3.28Å; S141-M227 WeakPolarHBondContact OG-CE 3.12Å; S141-M227 PolarHBondContact OG-O 3.1Å; M227-M242 HydrophobicContact CE-SD 4.44Å; M227-M242 HydrophobicContact CG-CG 4.1Å; M227-M242 HydrophobicContact CG-SD 3.36Å; M227-M242 WeakPolarHBondContact CG-SD 3.46Å; M227-M242 HydrophobicContact SD-CE 4.22Å; M227-M242 HydrophobicContact SD-CG 4.25Å; M227-M242 HydrophobicContact SD-SD 3.59Å; M227-Y243 CarbonylContact C-O 3.53Å; M227-Y243 WeakPolarHBondContact CA-O 3.45Å
228K94.8Very high89.4Confident57 Ų5741.4 Ų41.425%0.24821%0.212CC..EExtended strand (participates in β ladder)trans-104127.9176.3173.1-170.7177.6-178.50109.1T138 R139 F140 Y243T138-K228 HydrophobicContact CG2-CD 4.43Å; T138-K228 HydrophobicContact CG2-CG 4.11Å; R139-K228 CarbonylContact O-C 3.59Å; R139-K228 WeakPolarHBondContact O-CA 3.44Å; F140-K228 HydrophobicContact CD1-CB 3.75Å; F140-K228 HydrophobicContact CD1-CG 4.06Å; F140-K228 HydrophobicContact CE1-CB 3.63Å; F140-K228 HydrophobicContact CE1-CD 3.71Å; F140-K228 HydrophobicContact CE1-CG 3.58Å; F140-K228 HydrophobicContact CZ-CB 4.4Å; F140-K228 HydrophobicContact CZ-CD 3.83Å; F140-K228 HydrophobicContact CZ-CG 3.85Å; K228-Y243 HydrophobicContact CB-CD2 4.46Å; K228-Y243 HydrophobicContact CD-CD2 4.08Å; K228-Y243 HydrophobicContact CG-CD2 4.22Å; K228-Y243 PolarHBondContact N-O 3.47Å; K228-Y243 PolarHBondContact O-N 2.88Å
229R92.2Very high88.8Confident75 Ų7541.8 Ų41.828%0.28321%0.214SC..EExtended strand (participates in β ladder)trans-114.5123.2175.9-172-178.7-172.71752.5109.3T138 R139 D240 N241 M242 R449T138-R229 CarbonylContact C-O 3.52Å; T138-R229 VanDerWaalsContact CA-O 3.28Å; T138-R229 WeakPolarHBondContact CA-O 3.24Å; R139-R229 PolarHBondContact N-O 3.18Å; R139-R229 PolarHBondContact O-N 3.42Å; R229-D240 WeakPolarHBondContact CG-OD1 3.42Å; R229-D240 IonicContact CZ-OD2 2.62Å; R229-D240 VanDerWaalsContact NE-CG 3.34Å; R229-D240 IonicContact NE-OD1 2.96Å; R229-D240 PolarHBondContact NE-OD1 3.05Å; R229-D240 IonicContact NE-OD2 3.42Å; R229-D240 PolarHBondContact NE-OD2 2.94Å; R229-D240 IonicContact NH2-OD2 3.14Å; R229-D240 PolarHBondContact NH2-OD2 3.11Å; R229-N241 CarbonylContact C-O 3.53Å; R229-N241 WeakPolarHBondContact CA-O 3.11Å; R229-M242 HydrophobicContact CB-CE 4.06Å; R229-M242 HydrophobicContact CB-SD 3.87Å; R229-M242 HydrophobicContact CG-CE 3.8Å; R229-M242 HydrophobicContact CG-SD 4.2Å; R229-R449 VanDerWaalsContact NH2-CZ 3.27Å
230S91.2Very high88.2Confident18 Ų1842.8 Ų42.813%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-131.7116.7-177.1176.10000110.7T137 N241T137-S230 CarbonylContact O-C 3.53Å; T137-S230 WeakPolarHBondContact O-CA 3.19Å; S230-N241 PolarHBondContact N-O 3.32Å; S230-N241 WeakPolarHBondContact O-CB 3.18Å; S230-N241 PolarHBondContact O-N 2.92Å; S230-N241 PolarHBondContact O-ND2 3.3Å; S230-N241 VanDerWaalsContact O-ND2 3.12Å
231T88Confident87.9Confident37 Ų3742.6 Ų42.623%0.22722%0.218CC..EExtended strand (participates in β ladder)trans-91.6120.2178-57.90000111.1T137 D238 I239T137-T231 WeakPolarHBondContact CB-O 3.32Å; T137-T231 PolarHBondContact O-N 2.9Å; T231-D238 HydrophobicContact CG2-CB 3.77Å; T231-I239 CarbonylContact C-O 3.59Å; T231-I239 VanDerWaalsContact CA-O 3.32Å; T231-I239 WeakPolarHBondContact CA-O 3.43Å
232T84.2Confident87.5Confident56 Ų5644.8 Ų44.834%0.34423%0.229SC..EExtended strand (participates in β ladder)trans-109.1127177.2-53.90000110.1D238 I239 N241T232-D238 WeakPolarHBondContact O-CA 3.48Å; T232-I239 PolarHBondContact N-O 2.91Å; T232-I239 PolarHBondContact O-N 3.47Å; T232-N241 PolarHBondContact OG1-ND2 2.89Å; T232-N241 VanDerWaalsContact OG1-ND2 3.13Å
233K81.8Confident87.3Confident165 Ų16546.3 Ų46.372%0.71724%0.235SC*.  trans-76.5134.3177.5-58.6-168.4173.3179.60111D238K233-D238 WeakPolarHBondContact CA-OD1 3.14Å; K233-D238 WeakPolarHBondContact CG-OD1 2.69Å
234H74.6Confident87.1Confident75 Ų7547.9 Ų47.935%0.34725%0.247SC..  trans-140.8164.5177.7-106.8-86.8000111.4L236 G237 I239 M399H234-L236 VanDerWaalsContact C-N 3.26Å; H234-L236 PolarHBondContact O-N 2.86Å; H234-G237 VanDerWaalsContact CB-O 3.31Å; H234-G237 WeakPolarHBondContact CB-O 3.36Å; H234-G237 PolarHBondContact N-O 2.66Å; H234-G237 CarbonylContact O-C 3.55Å; H234-G237 WeakPolarHBondContact O-CA 3.43Å; H234-G237 PolarHBondContact O-N 3.39Å; H234-I239 HydrophobicContact CB-CD1 4.16Å; H234-M399 HydrophobicContact CB-CE 3.6Å; H234-M399 WeakPolarHBondContact ND1-CE 3.35Å
235I74.4Confident87Confident117 Ų11748 Ų4860%0.625%0.247SC*.THydrogen-bonded Turntrans-57-32.9-179.548.1154000114.4G237 M399I235-G237 VanDerWaalsContact C-N 3.28Å; I235-M399 HydrophobicContact CG1-CE 4.01Å
236L74Confident87Confident36 Ų3650.4 Ų50.419%0.18826%0.256CS..THydrogen-bonded Turntrans-96.918.2178.8-67.5154.5000111.4H234 M399 L402 E435 R442H234-L236 VanDerWaalsContact C-N 3.26Å; H234-L236 PolarHBondContact O-N 2.86Å; L236-M399 HydrophobicContact CB-CE 3.81Å; L236-M399 HydrophobicContact CB-SD 4.02Å; L236-M399 HydrophobicContact CD1-CE 3.89Å; L236-M399 HydrophobicContact CD1-SD 3.44Å; L236-M399 WeakPolarHBondContact CD1-SD 3.5Å; L236-M399 HydrophobicContact CG-CE 4.23Å; L236-M399 HydrophobicContact CG-SD 4.28Å; L236-L402 HydrophobicContact CD1-CD1 3.64Å; L236-E435 HydrophobicContact CD1-CG 3.87Å; L236-E435 HydrophobicContact CD2-CG 4.25Å; L236-R442 PolarHBondContact O-NH1 3.12Å; L236-R442 VanDerWaalsContact O-NH1 3.14Å
237G74.3Confident87.1Confident21 Ų2150.2 Ų50.222%0.21626%0.255CS..  trans102.4179.4179.100000114.4H234 I235H234-G237 VanDerWaalsContact CB-O 3.31Å; H234-G237 WeakPolarHBondContact CB-O 3.36Å; H234-G237 PolarHBondContact N-O 2.66Å; H234-G237 CarbonylContact O-C 3.55Å; H234-G237 WeakPolarHBondContact O-CA 3.43Å; H234-G237 PolarHBondContact O-N 3.39Å; I235-G237 VanDerWaalsContact C-N 3.28Å
238D80.2Confident87.2Confident72 Ų7247.5 Ų47.539%0.38524%0.243SC..  trans-74.8132-175.4-64.3-10.2000111.9T231 T232 K233 R442T231-D238 HydrophobicContact CG2-CB 3.77Å; T232-D238 WeakPolarHBondContact O-CA 3.48Å; K233-D238 WeakPolarHBondContact CA-OD1 3.14Å; K233-D238 WeakPolarHBondContact CG-OD1 2.69Å; D238-R442 PolarHBondContact O-NE 3.4Å
239I79.2Confident87.4Confident8 Ų845 Ų454%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-101.8126.7176.3-59.5164.1000108.3T231 T232 H234 I395 R396 M399T231-I239 CarbonylContact C-O 3.59Å; T231-I239 VanDerWaalsContact CA-O 3.32Å; T231-I239 WeakPolarHBondContact CA-O 3.43Å; T232-I239 PolarHBondContact N-O 2.91Å; T232-I239 PolarHBondContact O-N 3.47Å; H234-I239 HydrophobicContact CB-CD1 4.16Å; I239-I395 HydrophobicContact CD1-CG2 3.75Å; I239-I395 HydrophobicContact CG1-CG2 3.84Å; I239-I395 HydrophobicContact CG2-CG2 4.27Å; I239-R396 HydrophobicContact CD1-CG 4.44Å; I239-M399 HydrophobicContact CD1-CG 4.18Å
240D83Confident87.7Confident23 Ų2341.4 Ų41.412%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-97.8103.7178.3-166.39.7000109.2R229 S392 R449R229-D240 WeakPolarHBondContact CG-OD1 3.42Å; R229-D240 IonicContact CZ-OD2 2.62Å; R229-D240 VanDerWaalsContact NE-CG 3.34Å; R229-D240 IonicContact NE-OD1 2.96Å; R229-D240 PolarHBondContact NE-OD1 3.05Å; R229-D240 IonicContact NE-OD2 3.42Å; R229-D240 PolarHBondContact NE-OD2 2.94Å; R229-D240 IonicContact NH2-OD2 3.14Å; R229-D240 PolarHBondContact NH2-OD2 3.11Å; D240-S392 PolarHBondContact O-OG 2.89Å; D240-R449 IonicContact OD2-CZ 3.6Å; D240-R449 IonicContact OD2-NE 3.47Å; D240-R449 PolarHBondContact OD2-NE 3.12Å; D240-R449 IonicContact OD2-NH2 3.31Å; D240-R449 PolarHBondContact OD2-NH2 3.43Å
241N88.9Confident87.9Confident2 Ų240.7 Ų40.71%0.01121%0.213CC..EExtended strand (participates in β ladder)trans-88124.4179-55.4-73.3000109.1R229 S230 T232 Y243 R396R229-N241 CarbonylContact C-O 3.53Å; R229-N241 WeakPolarHBondContact CA-O 3.11Å; S230-N241 PolarHBondContact N-O 3.32Å; S230-N241 WeakPolarHBondContact O-CB 3.18Å; S230-N241 PolarHBondContact O-N 2.92Å; S230-N241 PolarHBondContact O-ND2 3.3Å; S230-N241 VanDerWaalsContact O-ND2 3.12Å; T232-N241 PolarHBondContact OG1-ND2 2.89Å; T232-N241 VanDerWaalsContact OG1-ND2 3.13Å; N241-Y243 HydrophobicContact CB-CD2 4.42Å; N241-Y243 HydrophobicContact CB-CE2 3.54Å; N241-R396 WeakPolarHBondContact OD1-CD 3.45Å; N241-R396 PolarHBondContact OD1-NE 2.81Å
242M91.1Very high88.3Confident47 Ų4739 Ų3923%0.23220%0.203CC..EExtended strand (participates in β ladder)trans-108.4126.6173.6-163.866.371.600109.6M227 R229 E388 D389M227-M242 HydrophobicContact CE-SD 4.44Å; M227-M242 HydrophobicContact CG-CG 4.1Å; M227-M242 HydrophobicContact CG-SD 3.36Å; M227-M242 WeakPolarHBondContact CG-SD 3.46Å; M227-M242 HydrophobicContact SD-CE 4.22Å; M227-M242 HydrophobicContact SD-CG 4.25Å; M227-M242 HydrophobicContact SD-SD 3.59Å; R229-M242 HydrophobicContact CB-CE 4.06Å; R229-M242 HydrophobicContact CB-SD 3.87Å; R229-M242 HydrophobicContact CG-CE 3.8Å; R229-M242 HydrophobicContact CG-SD 4.2Å; M242-E388 CarbonylContact O-C 3.54Å; M242-E388 VanDerWaalsContact O-CA 3.24Å; M242-E388 WeakPolarHBondContact O-CA 3.34Å; M242-D389 HydrophobicContact CB-CB 4.25Å; M242-D389 PolarHBondContact O-N 3.03Å
243Y93.9Very high88.7Confident35 Ų3536.5 Ų36.514%0.13719%0.188CC..EExtended strand (participates in β ladder)trans-117.5135.5174.4-53.9-89.8000109M227 K228 N241 V386 N387 E388M227-Y243 CarbonylContact C-O 3.53Å; M227-Y243 WeakPolarHBondContact CA-O 3.45Å; K228-Y243 HydrophobicContact CB-CD2 4.46Å; K228-Y243 HydrophobicContact CD-CD2 4.08Å; K228-Y243 HydrophobicContact CG-CD2 4.22Å; K228-Y243 PolarHBondContact N-O 3.47Å; K228-Y243 PolarHBondContact O-N 2.88Å; N241-Y243 HydrophobicContact CB-CD2 4.42Å; N241-Y243 HydrophobicContact CB-CE2 3.54Å; Y243-V386 HydrophobicContact CD1-CG1 3.63Å; Y243-V386 HydrophobicContact CE1-CG1 3.99Å; Y243-N387 CarbonylContact C-O 3.55Å; Y243-N387 VanDerWaalsContact CA-O 3.26Å; Y243-N387 WeakPolarHBondContact CA-O 3.49Å; Y243-E388 HydrophobicContact CD1-CB 3.61Å; Y243-E388 HydrophobicContact CE1-CB 3.68Å
244S94.3Very high89.2Confident52 Ų5229 Ų2936%0.36416%0.157SC..EExtended strand (participates in β ladder)trans-122135.7178.4-59.60000109.5L226 N387L226-S244 WeakPolarHBondContact O-CA 3.41Å; S244-N387 PolarHBondContact N-O 3.36Å; S244-N387 WeakPolarHBondContact O-CB 3.38Å; S244-N387 PolarHBondContact O-ND2 3.27Å
245S96.4Very high89.9Confident4 Ų426.1 Ų26.13%0.02815%0.146CC..EExtended strand (participates in β ladder)trans-147.8157.7175.651.80000111.2A87 Y91 N92 S225 L226A87-S245 WeakPolarHBondContact O-CB 3.24Å; A87-S245 PolarHBondContact O-OG 3.4Å; Y91-S245 VanDerWaalsContact O-CB 3.22Å; Y91-S245 WeakPolarHBondContact O-CB 3.48Å; N92-S245 WeakPolarHBondContact OD1-CA 3.32Å; S225-S245 CarbonylContact C-O 3.53Å; S225-S245 WeakPolarHBondContact CA-O 3.43Å; L226-S245 PolarHBondContact N-O 2.9Å; L226-S245 PolarHBondContact O-N 3.25Å
246H97.1Very high90.5Very high73 Ų7323.4 Ų23.434%0.33813%0.131SC..EExtended strand (participates in β ladder)trans-125129.3177.5-59.3-78.9000110N92 A93 V223 L224 S225N92-H246 PolarHBondContact OD1-CD2 3.21Å; N92-H246 PolarHBondContact OD1-N 3Å; A93-H246 PolarHBondContact N-O 3.33Å; A93-H246 VanDerWaalsContact O-O 3.04Å; V223-H246 HydrophobicContact CG1-CB 4.22Å; L224-H246 CarbonylContact O-C 3.51Å; L224-H246 WeakPolarHBondContact O-CA 3.49Å; S225-H246 PolarHBondContact OG-CE1 3.01Å; S225-H246 VanDerWaalsContact OG-CE1 3.32Å; S225-H246 PolarHBondContact OG-ND1 3.37Å
247I98.5Very high90.4Very high3 Ų331.5 Ų31.52%0.01516%0.158CC..EExtended strand (participates in β ladder)trans-96.8111162.5-56.3173.5000106.9L84 A87 A93 I122 V223 L224 L226 V249L84-I247 HydrophobicContact CB-CD1 4.44Å; L84-I247 HydrophobicContact CD1-CD1 3.66Å; A87-I247 HydrophobicContact CB-CD1 3.69Å; A87-I247 HydrophobicContact CB-CG1 3.29Å; A93-I247 HydrophobicContact CB-CG1 4.49Å; A93-I247 CarbonylContact O-C 3.57Å; A93-I247 WeakPolarHBondContact O-CA 3.41Å; I122-I247 HydrophobicContact CD1-CG2 4.36Å; I122-I247 HydrophobicContact CG2-CD1 4.32Å; V223-I247 WeakPolarHBondContact CA-O 3.22Å; L224-I247 HydrophobicContact CB-CB 4.26Å; L224-I247 PolarHBondContact N-O 3.23Å; L224-I247 PolarHBondContact O-N 2.89Å; L226-I247 HydrophobicContact CD1-CD1 3.93Å; L226-I247 HydrophobicContact CD1-CG1 4.27Å; I247-V249 HydrophobicContact CG2-CG2 4.18Å
248T98.6Very high89.9Confident21 Ų2134.8 Ų34.813%0.12917%0.168CC..EExtended strand (participates in β ladder)trans-105.2118.4178.6-55.70000109.2A93 C94 L95 V221 L222 V223 V250A93-T248 PolarHBondContact O-N 2.82Å; C94-T248 CarbonylContact C-O 3.55Å; C94-T248 VanDerWaalsContact CA-O 3.31Å; C94-T248 WeakPolarHBondContact CA-O 3.34Å; L95-T248 PolarHBondContact N-O 2.95Å; V221-T248 HydrophobicContact CG1-CG2 3.67Å; L222-T248 CarbonylContact O-C 3.58Å; L222-T248 WeakPolarHBondContact O-CA 3.4Å; V223-T248 HydrophobicContact CG2-CG2 4.34Å; T248-V250 HydrophobicContact CG2-CG2 3.85Å
249V98.7Very high88.9Confident5 Ų537 Ų373%0.0318%0.184CC..EExtended strand (participates in β ladder)trans-113.1120.5174.7-172.40000109.3L95 I109 I119 I122 L222 I247L95-V249 HydrophobicContact CD2-CG1 4.21Å; L95-V249 CarbonylContact O-C 3.55Å; L95-V249 WeakPolarHBondContact O-CA 3.5Å; I109-V249 HydrophobicContact CD1-CG1 3.93Å; I109-V249 HydrophobicContact CG2-CG1 3.77Å; I119-V249 HydrophobicContact CD1-CB 4.28Å; I119-V249 HydrophobicContact CD1-CG1 3.95Å; I119-V249 HydrophobicContact CG1-CB 4.04Å; I119-V249 HydrophobicContact CG1-CG1 3.66Å; I119-V249 HydrophobicContact CG1-CG2 4.36Å; I122-V249 HydrophobicContact CD1-CG2 4.16Å; L222-V249 PolarHBondContact N-O 3.16Å; L222-V249 PolarHBondContact O-N 3.46Å; I247-V249 HydrophobicContact CG2-CG2 4.18Å
250V98.4Very high87.5Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-117.4123-174-171.40000110.3L95 F96 A97 T220 V221 T248 L252 L341L95-V250 PolarHBondContact O-N 3.4Å; F96-V250 WeakPolarHBondContact CA-O 3.44Å; F96-V250 HydrophobicContact CB-CB 3.7Å; F96-V250 HydrophobicContact CB-CG1 4.39Å; F96-V250 HydrophobicContact CB-CG2 4.24Å; A97-V250 PolarHBondContact N-O 3.09Å; T220-V250 WeakPolarHBondContact O-CA 3.49Å; V221-V250 HydrophobicContact CG1-CG2 4.2Å; V221-V250 HydrophobicContact CG2-CG1 4.09Å; V221-V250 HydrophobicContact CG2-CG2 4.29Å; T248-V250 HydrophobicContact CG2-CG2 3.85Å; V250-L252 HydrophobicContact CG1-CD2 3.51Å; V250-L252 HydrophobicContact CG1-CG 3.95Å; V250-L341 HydrophobicContact CG2-CD2 4.04Å
251D97.2Very high85.8Confident2 Ų245.4 Ų45.41%0.01124%0.241CC..EExtended strand (participates in β ladder)trans-101104.2165.5-171.615.3000107.8K105 T106 I109 H219 T220K105-D251 VanDerWaalsContact CB-OD1 3.28Å; K105-D251 WeakPolarHBondContact CB-OD1 3.49Å; T106-D251 WeakPolarHBondContact CA-OD2 3.31Å; T106-D251 WeakPolarHBondContact CB-OD2 3.38Å; T106-D251 PolarHBondContact OG1-OD2 3.25Å; I109-D251 HydrophobicContact CB-CB 4.49Å; I109-D251 HydrophobicContact CG1-CB 4.38Å; I109-D251 HydrophobicContact CG2-CB 4.26Å; H219-D251 CarbonylContact C-O 3.12Å; H219-D251 WeakPolarHBondContact CA-O 3.47Å; T220-D251 PolarHBondContact N-O 2.7Å; T220-D251 PolarHBondContact O-N 3.19Å
252L96.2Very high83.6Confident3 Ų349.6 Ų49.62%0.01627%0.271CS..PPolyproline II helixtrans-77.2158-178.2-62.9173.5000111.3F96 A97 Y98 K105 H219 V250 L278 L281 L337F96-L252 HydrophobicContact CD2-CD1 3.92Å; A97-L252 VanDerWaalsContact O-CB 3.27Å; A97-L252 WeakPolarHBondContact O-CB 3.37Å; A97-L252 WeakPolarHBondContact O-CG 3.37Å; A97-L252 PolarHBondContact O-N 3.33Å; Y98-L252 HydrophobicContact CD2-CD1 3.81Å; K105-L252 WeakPolarHBondContact CE-O 3.47Å; H219-L252 HydrophobicContact CB-CD2 4.45Å; H219-L252 VanDerWaalsContact ND1-CA 3.33Å; H219-L252 WeakPolarHBondContact ND1-CA 3.43Å; H219-L252 WeakPolarHBondContact ND1-CD2 3.27Å; V250-L252 HydrophobicContact CG1-CD2 3.51Å; V250-L252 HydrophobicContact CG1-CG 3.95Å; L252-L278 HydrophobicContact CB-CD2 4.41Å; L252-L278 HydrophobicContact CD1-CD2 4.45Å; L252-L281 HydrophobicContact CD1-CD2 3.87Å; L252-L337 HydrophobicContact CD2-CD1 3.99Å; L252-L337 HydrophobicContact CD2-CD2 3.7Å; L252-L337 HydrophobicContact CD2-CG 4.44Å
253A92.9Very high81.5Confident3 Ų350.9 Ų50.93%0.02528%0.281CS..PPolyproline II helixtrans-59.7163.7168.600000112.2S216 H219 S255 L278S216-A253 WeakPolarHBondContact O-CA 3.27Å; S216-A253 WeakPolarHBondContact O-CB 3.27Å; H219-A253 VanDerWaalsContact CE1-CB 3.43Å; H219-A253 WeakPolarHBondContact CE1-CB 3.37Å; H219-A253 PolarHBondContact CE1-N 3.41Å; H219-A253 VanDerWaalsContact CE1-N 3.34Å; H219-A253 PolarHBondContact ND1-N 2.9Å; A253-S255 PolarHBondContact O-N 3.45Å; A253-L278 HydrophobicContact CB-CD1 4.12Å
254G91.5Very high79.2Confident6 Ų657.5 Ų57.56%0.06232%0.318CS..PPolyproline II helixtrans-53.8129.3172.700000112.4S216 E256 L278S216-G254 PolarHBondContact O-N 3.34Å; G254-E256 VanDerWaalsContact C-N 3.29Å; G254-E256 WeakPolarHBondContact CA-OE2 3.32Å; G254-L278 WeakPolarHBondContact O-CD1 3.21Å
255S90Very high77.2Confident15 Ų1560.2 Ų60.211%0.10534%0.337CS..  trans-80-9.2179.965.90000114.7Y98 G99 M100 A253Y98-S255 WeakPolarHBondContact OH-CB 3.44Å; G99-S255 PolarHBondContact O-N 2.8Å; G99-S255 PolarHBondContact O-OG 3.18Å; M100-S255 PolarHBondContact N-OG 2.96Å; M100-S255 VanDerWaalsContact N-OG 3.16Å; A253-S255 PolarHBondContact O-N 3.45Å
256E86.1Confident74.9Confident61 Ų6162.4 Ų62.429%0.28536%0.36SS..PPolyproline II helixtrans-62.2140.8-176.966.7-79.3-17000111.8M100 T101 G254 Q258 E366M100-E256 WeakPolarHBondContact CA-OE2 3.21Å; M100-E256 HydrophobicContact CB-CB 4.27Å; T101-E256 WeakPolarHBondContact CB-OE1 3.39Å; T101-E256 PolarHBondContact N-OE2 2.59Å; T101-E256 PolarHBondContact OG1-OE1 2.96Å; T101-E256 PolarHBondContact OG1-OE2 3.39Å; G254-E256 VanDerWaalsContact C-N 3.29Å; G254-E256 WeakPolarHBondContact CA-OE2 3.32Å; E256-Q258 PolarHBondContact O-N 2.87Å; E256-E366 WeakPolarHBondContact CA-OE2 3.38Å; E256-E366 HydrophobicContact CB-CG 4.24Å
257R72.3Confident72.5Confident205 Ų20565.8 Ų65.877%0.77437%0.37SS*.PPolyproline II helixtrans-81122.4175.3-63.8179.2-178.2-175.20.1107.6T259 E366R257-T259 PolarHBondContact O-N 3.14Å; R257-E366 PolarHBondContact N-OE1 2.99Å
258Q63.8Low69.8Low91 Ų9171.1 Ų71.143%0.42539%0.393SS..PPolyproline II helixtrans-56.9117.7166.4-66.9-172.8-10.700107.2E256 S260E256-Q258 PolarHBondContact O-N 2.87Å; Q258-S260 PolarHBondContact O-N 3.19Å; Q258-S260 VanDerWaalsContact O-N 3.08Å
259T58Low67.4Low118 Ų11875.3 Ų75.372%0.72441%0.414SS*.PPolyproline II helixtrans-59.3119.5174.547.80000106.1R257 T261R257-T259 PolarHBondContact O-N 3.14Å; T259-T261 PolarHBondContact O-N 2.76Å; T259-T261 PolarHBondContact O-OG1 3.45Å
260S49.9Very low64.7Low92 Ų9280.7 Ų80.764%0.64344%0.439SS*.  trans-57.981.4-179.5-52.60000109.5Q258 S262Q258-S260 PolarHBondContact O-N 3.19Å; Q258-S260 VanDerWaalsContact O-N 3.08Å; S260-S262 VanDerWaalsContact C-N 3.33Å; S260-S262 PolarHBondContact O-N 3.27Å
261T47.4Very low62.3Low116 Ų11682.7 Ų82.771%0.71245%0.452SS*.  trans-73.198.2177.2-7.20000104.9T259T259-T261 PolarHBondContact O-N 2.76Å; T259-T261 PolarHBondContact O-OG1 3.45Å
262S43.8Very low60Low90 Ų9086.2 Ų86.263%0.62948%0.476SS*.SBendtrans23.1108.1163.669.40000116.4S260 R267S260-S262 VanDerWaalsContact C-N 3.33Å; S260-S262 PolarHBondContact O-N 3.27Å; S262-R267 PolarHBondContact O-NH1 2.94Å
263T45.8Very low58Low74 Ų7491.5 Ų91.545%0.45450%0.501SS..  trans168.9116132.1380000110.3S265 R267T263-S265 PolarHBondContact O-N 2.78Å; T263-R267 PolarHBondContact OG1-NE 3.39Å; T263-R267 PolarHBondContact OG1-NH1 2.99Å
264L47.2Very low56.2Low173 Ų17393 Ų9391%0.90651%0.508SS*.THydrogen-bonded Turntrans-77.739.8-165.1-78.3164.5000116.4
265S52.3Low55.1Low110 Ų11094.6 Ų94.677%0.76952%0.516SS*.THydrogen-bonded Turntrans-151.9-40175.9-104.90000119.2T263T263-S265 PolarHBondContact O-N 2.78Å
266G47.8Very low54.9Low50 Ų5097.9 Ų97.952%0.51553%0.528SS..THydrogen-bonded Turntrans-119.1-46.4-179.100000113.1F268 I269 E270G266-F268 PolarHBondContact O-N 3.26Å; G266-I269 PolarHBondContact O-N 3.07Å; G266-E270 PolarHBondContact O-N 2.94Å
267R46.6Very low55.2Low143 Ų14395.4 Ų95.454%0.5452%0.517SS..Hα-helixtrans-63.4-24.7-179.6-86.8-174.6-105.7155.6-6114S262 T263 E270 S271S262-R267 PolarHBondContact O-NH1 2.94Å; T263-R267 PolarHBondContact OG1-NE 3.39Å; T263-R267 PolarHBondContact OG1-NH1 2.99Å; R267-E270 PolarHBondContact O-N 2.95Å; R267-S271 VanDerWaalsContact O-CB 3.28Å; R267-S271 WeakPolarHBondContact O-CB 3.4Å; R267-S271 PolarHBondContact O-N 3.39Å; R267-S271 PolarHBondContact O-OG 3.45Å
268F41.1Very low56.1Low116 Ų11686.3 Ų86.351%0.50948%0.484SS..Hα-helixtrans-71.3-38.3177.4-165.3-97.8000112.2G266 S271 C272G266-F268 PolarHBondContact O-N 3.26Å; F268-S271 PolarHBondContact O-N 3.42Å; F268-C272 PolarHBondContact O-N 3.37Å; F268-C272 PolarHBondContact O-SG 3.21Å
269I47.4Very low57.3Low109 Ų10989.3 Ų89.356%0.55950%0.496SS*.Hα-helixtrans-68.4-41.2173.3-59178.1000109.9G266 C272 Q273G266-I269 PolarHBondContact O-N 3.07Å; I269-C272 WeakPolarHBondContact O-CB 3.48Å; I269-C272 PolarHBondContact O-N 3.37Å; I269-Q273 PolarHBondContact O-N 3.46Å
270E42.9Very low58.9Low118 Ų11884 Ų8455%0.55146%0.463SS*.Hα-helixtrans-59.9-45.1173.9-164.3177.8-175.300111.2G266 R267 C272 Q273 I274G266-E270 PolarHBondContact O-N 2.94Å; R267-E270 PolarHBondContact O-N 2.95Å; E270-C272 VanDerWaalsContact C-N 3.31Å; E270-C272 PolarHBondContact O-N 2.97Å; E270-Q273 PolarHBondContact O-N 3.33Å; E270-Q273 VanDerWaalsContact O-N 3.15Å; E270-I274 HydrophobicContact CG-CD1 4.29Å; E270-I274 WeakPolarHBondContact O-CD1 3.43Å; E270-I274 WeakPolarHBondContact O-CG1 3.41Å; E270-I274 PolarHBondContact O-N 3.38Å
271S47.5Very low61.1Low41 Ų4179.7 Ų79.729%0.28743%0.433SS..Hα-helixtrans-61-37.3174.3-57.60000112.3R267 F268R267-S271 VanDerWaalsContact O-CB 3.28Å; R267-S271 WeakPolarHBondContact O-CB 3.4Å; R267-S271 PolarHBondContact O-N 3.39Å; R267-S271 PolarHBondContact O-OG 3.45Å; F268-S271 PolarHBondContact O-N 3.42Å
272C49.2Very low63.1Low76 Ų7675.1 Ų75.151%0.51441%0.409SS..Hα-helixtrans-68.2-38.2174.2-79.90000112.8F268 I269 E270 K276F268-C272 PolarHBondContact O-N 3.37Å; F268-C272 PolarHBondContact O-SG 3.21Å; I269-C272 WeakPolarHBondContact O-CB 3.48Å; I269-C272 PolarHBondContact O-N 3.37Å; E270-C272 VanDerWaalsContact C-N 3.31Å; E270-C272 PolarHBondContact O-N 2.97Å; C272-K276 PolarHBondContact O-N 2.96Å
273Q53.8Low65.4Low114 Ų11474.4 Ų74.453%0.53339%0.394SS..Hα-helixtrans-70.2-37.8176.5-82.5-17213.100112.3I269 E270 N275 K276I269-Q273 PolarHBondContact O-N 3.46Å; E270-Q273 PolarHBondContact O-N 3.33Å; E270-Q273 VanDerWaalsContact O-N 3.15Å; Q273-N275 PolarHBondContact O-N 2.9Å; Q273-N275 VanDerWaalsContact O-N 3.11Å; Q273-K276 WeakPolarHBondContact O-CB 3.31Å; Q273-K276 PolarHBondContact O-N 3.44Å
274I56.5Low67.7Low35 Ų3570.9 Ų70.918%0.17937%0.373CS..Hα-helixtrans-53.1-37.1-178.8-74.2163.1000112.1E270E270-I274 HydrophobicContact CG-CD1 4.29Å; E270-I274 WeakPolarHBondContact O-CD1 3.43Å; E270-I274 WeakPolarHBondContact O-CG1 3.41Å; E270-I274 PolarHBondContact O-N 3.38Å
275N67.5Low69.9Low40 Ų4062.6 Ų62.621%0.21433%0.33CS..THydrogen-bonded Turntrans-116.225.6-176.3-70.6-31.6000113.7Q273 S277 L278 F279Q273-N275 PolarHBondContact O-N 2.9Å; Q273-N275 VanDerWaalsContact O-N 3.11Å; N275-S277 VanDerWaalsContact C-N 3.27Å; N275-S277 PolarHBondContact O-N 3.47Å; N275-L278 PolarHBondContact O-N 2.87Å; N275-F279 VanDerWaalsContact O-CB 3.25Å; N275-F279 WeakPolarHBondContact O-CB 3.35Å; N275-F279 PolarHBondContact O-N 3.14Å
276K86.7Confident71.7Confident83 Ų8359.2 Ų59.236%0.36130%0.304SS..Hα-helixtrans-54.9-42-179.9179174.9161.7-1590112.7E152 C272 Q273 T280 D334E152-K276 HydrophobicContact CG-CB 4.41Å; E152-K276 HydrophobicContact CG-CD 3.85Å; E152-K276 HydrophobicContact CG-CG 4.4Å; E152-K276 IonicContact OE2-NZ 2.98Å; C272-K276 PolarHBondContact O-N 2.96Å; Q273-K276 WeakPolarHBondContact O-CB 3.31Å; Q273-K276 PolarHBondContact O-N 3.44Å; K276-T280 VanDerWaalsContact O-CB 3.24Å; K276-T280 WeakPolarHBondContact O-CB 3.42Å; K276-T280 PolarHBondContact O-N 3.27Å; K276-T280 PolarHBondContact O-OG1 3.48Å; K276-D334 WeakPolarHBondContact CE-O 3.13Å; K276-D334 PolarHBondContact NZ-O 3.07Å
277S91.5Very high73.8Confident10 Ų1058.7 Ų58.77%0.0729%0.288CS..Hα-helixtrans-62.2-53179.347.90000112.7H219 N275 T280 L281H219-S277 PolarHBondContact NE2-OG 3.26Å; N275-S277 VanDerWaalsContact C-N 3.27Å; N275-S277 PolarHBondContact O-N 3.47Å; S277-T280 PolarHBondContact O-N 2.92Å; S277-L281 WeakPolarHBondContact O-CB 3.35Å; S277-L281 PolarHBondContact O-N 3.14Å
278L91.2Very high75.9Confident13 Ų1352.7 Ų52.77%0.06827%0.267CS..Hα-helixtrans-70-36179.1-70.8-178.8000113.1Y98 L252 A253 G254 N275 L281 G282Y98-L278 HydrophobicContact CE2-CD2 4.2Å; L252-L278 HydrophobicContact CB-CD2 4.41Å; L252-L278 HydrophobicContact CD1-CD2 4.45Å; A253-L278 HydrophobicContact CB-CD1 4.12Å; G254-L278 WeakPolarHBondContact O-CD1 3.21Å; N275-L278 PolarHBondContact O-N 2.87Å; L278-L281 HydrophobicContact CD2-CD2 4.21Å; L278-L281 PolarHBondContact O-N 3.41Å; L278-G282 PolarHBondContact O-N 3.47Å
279F89.5Confident78.1Confident155 Ų15547.9 Ų47.968%0.6825%0.248SC*.Hα-helixtrans-61.4-46.9173.6176.2-98.9000111.2N275 G282 K283N275-F279 VanDerWaalsContact O-CB 3.25Å; N275-F279 WeakPolarHBondContact O-CB 3.35Å; N275-F279 PolarHBondContact O-N 3.14Å; F279-G282 WeakPolarHBondContact O-CA 3.11Å; F279-G282 PolarHBondContact O-N 2.86Å; F279-G282 VanDerWaalsContact O-N 3.16Å; F279-K283 PolarHBondContact O-N 2.96Å
280T92.1Very high79.9Confident5 Ų547.5 Ų47.53%0.03124%0.243CC..Hα-helixtrans-64.2-41.5177-57.40000111.5K276 S277 G282 K283 V284 D334 T338K276-T280 VanDerWaalsContact O-CB 3.24Å; K276-T280 WeakPolarHBondContact O-CB 3.42Å; K276-T280 PolarHBondContact O-N 3.27Å; K276-T280 PolarHBondContact O-OG1 3.48Å; S277-T280 PolarHBondContact O-N 2.92Å; T280-G282 VanDerWaalsContact C-N 3.26Å; T280-G282 PolarHBondContact O-N 3.04Å; T280-K283 WeakPolarHBondContact O-CB 3.31Å; T280-K283 PolarHBondContact O-N 2.72Å; T280-K283 VanDerWaalsContact O-N 3.09Å; T280-V284 HydrophobicContact CG2-CG2 4.35Å; T280-V284 WeakPolarHBondContact O-CG2 3.28Å; T280-V284 PolarHBondContact O-N 3.14Å; T280-D334 HydrophobicContact CG2-CB 3.45Å; T280-D334 VanDerWaalsContact CG2-CB 3.45Å; T280-T338 HydrophobicContact CG2-CG2 3.85Å; T280-T338 VanDerWaalsContact CG2-OG1 3.31Å; T280-T338 WeakPolarHBondContact CG2-OG1 3.39Å
281L94.4Very high81.4Confident2 Ų243.3 Ų43.31%0.0123%0.225CC..Hα-helixtrans-59.1-40.6173.5-167.374.2000110.9L252 S277 L278 K283 V284 I285 L337 T338 L341 L345 Y373L252-L281 HydrophobicContact CD1-CD2 3.87Å; S277-L281 WeakPolarHBondContact O-CB 3.35Å; S277-L281 PolarHBondContact O-N 3.14Å; L278-L281 HydrophobicContact CD2-CD2 4.21Å; L278-L281 PolarHBondContact O-N 3.41Å; L281-K283 PolarHBondContact O-N 2.86Å; L281-V284 PolarHBondContact O-N 3.34Å; L281-I285 WeakPolarHBondContact O-CG1 3.43Å; L281-I285 PolarHBondContact O-N 3.23Å; L281-L337 HydrophobicContact CD2-CD2 4.46Å; L281-T338 VanDerWaalsContact CA-CG2 3.47Å; L281-T338 HydrophobicContact CB-CG2 3.83Å; L281-T338 HydrophobicContact CD1-CG2 3.71Å; L281-T338 HydrophobicContact CG-CG2 4.38Å; L281-L341 HydrophobicContact CD1-CD1 4.34Å; L281-L345 HydrophobicContact CD1-CD1 3.52Å; L281-Y373 WeakPolarHBondContact CD2-OH 3.42Å; L281-Y373 WeakPolarHBondContact CG-OH 3.45Å; L281-Y373 PolarHBondContact O-OH 3.23Å
282G91.3Very high82.2Confident20 Ų2043.3 Ų43.321%0.20622%0.221CC..Hα-helixtrans-51.3-49.9169.200000113.9L278 F279 T280 T286L278-G282 PolarHBondContact O-N 3.47Å; F279-G282 WeakPolarHBondContact O-CA 3.11Å; F279-G282 PolarHBondContact O-N 2.86Å; F279-G282 VanDerWaalsContact O-N 3.16Å; T280-G282 VanDerWaalsContact C-N 3.26Å; T280-G282 PolarHBondContact O-N 3.04Å; G282-T286 WeakPolarHBondContact O-CB 3.28Å; G282-T286 PolarHBondContact O-N 2.76Å; G282-T286 VanDerWaalsContact O-N 3.12Å; G282-T286 PolarHBondContact O-OG1 2.91Å
283K91Very high82.6Confident75 Ų7543 Ų4333%0.32622%0.217SC..Hα-helixtrans-66.2-47.9179.1-178.3-177170.4-168.50111.7F279 T280 L281 T286 Q287 D334F279-K283 PolarHBondContact O-N 2.96Å; T280-K283 WeakPolarHBondContact O-CB 3.31Å; T280-K283 PolarHBondContact O-N 2.72Å; T280-K283 VanDerWaalsContact O-N 3.09Å; L281-K283 PolarHBondContact O-N 2.86Å; K283-T286 PolarHBondContact O-N 2.89Å; K283-Q287 WeakPolarHBondContact O-CG 3.46Å; K283-Q287 PolarHBondContact O-N 3.43Å; K283-D334 IonicContact NZ-OD2 2.89Å; K283-D334 PolarHBondContact NZ-OD2 3.31Å
284V93.6Very high82.4Confident0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-59.4-48.4179.1165.10000111.2T280 L281 T286 Q287 L288 V330 Y332 T338 L345T280-V284 HydrophobicContact CG2-CG2 4.35Å; T280-V284 WeakPolarHBondContact O-CG2 3.28Å; T280-V284 PolarHBondContact O-N 3.14Å; L281-V284 PolarHBondContact O-N 3.34Å; V284-T286 VanDerWaalsContact C-N 3.31Å; V284-T286 PolarHBondContact O-N 2.95Å; V284-Q287 PolarHBondContact O-N 3.16Å; V284-L288 HydrophobicContact CG1-CD1 3.77Å; V284-L288 HydrophobicContact CG1-CG 4.43Å; V284-L288 WeakPolarHBondContact O-CB 3.34Å; V284-L288 WeakPolarHBondContact O-CG 3.19Å; V284-L288 PolarHBondContact O-N 3.42Å; V284-V330 HydrophobicContact CB-CG1 4.21Å; V284-V330 HydrophobicContact CG1-CG1 3.75Å; V284-V330 HydrophobicContact CG2-CG1 3.99Å; V284-Y332 HydrophobicContact CG1-CD1 3.86Å; V284-Y332 HydrophobicContact CG1-CE1 3.51Å; V284-Y332 HydrophobicContact CG2-CD1 4.24Å; V284-T338 HydrophobicContact CG2-CG2 4.15Å; V284-L345 HydrophobicContact CG1-CD1 4.37Å
285I93.5Very high82.2Confident0 Ų048.9 Ų48.90%024%0.238CC..Hα-helixtrans-61.2-41.9176.7-69.1-149.5000111.2L281 L288 S289 Y373 K376 A377 I380L281-I285 WeakPolarHBondContact O-CG1 3.43Å; L281-I285 PolarHBondContact O-N 3.23Å; I285-L288 PolarHBondContact O-N 3.39Å; I285-S289 WeakPolarHBondContact O-CB 3.38Å; I285-S289 PolarHBondContact O-N 2.92Å; I285-S289 PolarHBondContact O-OG 3.43Å; I285-Y373 HydrophobicContact CB-CE2 3.87Å; I285-Y373 HydrophobicContact CD1-CE1 3.87Å; I285-Y373 HydrophobicContact CD1-CE2 3.97Å; I285-Y373 WeakPolarHBondContact CD1-OH 3.37Å; I285-Y373 HydrophobicContact CG1-CE2 4.13Å; I285-Y373 WeakPolarHBondContact CG1-OH 3.36Å; I285-Y373 HydrophobicContact CG2-CD2 4.47Å; I285-Y373 HydrophobicContact CG2-CE2 3.98Å; I285-K376 HydrophobicContact CG2-CB 3.8Å; I285-A377 HydrophobicContact CD1-CB 3.74Å; I285-A377 HydrophobicContact CG2-CB 4.26Å; I285-I380 HydrophobicContact CB-CD1 4.15Å; I285-I380 HydrophobicContact CD1-CD1 4.05Å; I285-I380 HydrophobicContact CG1-CD1 3.84Å; I285-I380 HydrophobicContact CG2-CD1 4.08Å
286T90.9Very high81.4Confident39 Ų3957.2 Ų57.224%0.23927%0.266CS..Hα-helixtrans-63.6-45.1177.7-60.30000111.4G282 K283 V284 S289 Q290 K376G282-T286 WeakPolarHBondContact O-CB 3.28Å; G282-T286 PolarHBondContact O-N 2.76Å; G282-T286 VanDerWaalsContact O-N 3.12Å; G282-T286 PolarHBondContact O-OG1 2.91Å; K283-T286 PolarHBondContact O-N 2.89Å; V284-T286 VanDerWaalsContact C-N 3.31Å; V284-T286 PolarHBondContact O-N 2.95Å; T286-S289 PolarHBondContact O-N 3.32Å; T286-S289 PolarHBondContact O-OG 2.68Å; T286-Q290 WeakPolarHBondContact O-CG 3.42Å; T286-Q290 PolarHBondContact O-N 3.01Å; T286-K376 PolarHBondContact OG1-NZ 3.47Å
287Q91.2Very high79.5Confident38 Ų3862.1 Ų62.118%0.17828%0.282CS..Hα-helixtrans-60-49.7176.3-71.4175.2-46.800111.5K283 V284 S289 Q290 N291K283-Q287 WeakPolarHBondContact O-CG 3.46Å; K283-Q287 PolarHBondContact O-N 3.43Å; V284-Q287 PolarHBondContact O-N 3.16Å; Q287-S289 PolarHBondContact O-N 3Å; Q287-Q290 PolarHBondContact O-N 2.75Å; Q287-N291 VanDerWaalsContact O-CG 3.31Å; Q287-N291 PolarHBondContact O-N 2.86Å; Q287-N291 PolarHBondContact O-OD1 2.82Å
288L90.8Very high77.4Confident18 Ų1865.2 Ų65.29%0.09431%0.308CS..Hα-helixtrans-63.2-41179.6-74.4171.4000112.6V284 I285 Q290 N291 V330 Y332 L345 I380V284-L288 HydrophobicContact CG1-CD1 3.77Å; V284-L288 HydrophobicContact CG1-CG 4.43Å; V284-L288 WeakPolarHBondContact O-CB 3.34Å; V284-L288 WeakPolarHBondContact O-CG 3.19Å; V284-L288 PolarHBondContact O-N 3.42Å; I285-L288 PolarHBondContact O-N 3.39Å; L288-Q290 PolarHBondContact O-N 2.84Å; L288-N291 PolarHBondContact O-N 2.88Å; L288-V330 HydrophobicContact CD2-CG2 3.72Å; L288-V330 HydrophobicContact CG-CG1 4.23Å; L288-V330 HydrophobicContact CG-CG2 4.1Å; L288-Y332 HydrophobicContact CD1-CE1 4.36Å; L288-Y332 WeakPolarHBondContact CD2-OH 3.32Å; L288-L345 HydrophobicContact CD1-CB 3.99Å; L288-I380 HydrophobicContact CB-CD1 4.03Å; L288-I380 HydrophobicContact CB-CG1 3.8Å; L288-I380 HydrophobicContact CB-CG2 4.26Å; L288-I380 HydrophobicContact CD1-CD1 4.03Å; L288-I380 HydrophobicContact CD1-CG1 4.5Å; L288-I380 HydrophobicContact CD1-CG2 4.06Å
289S88.5Confident75.1Confident15 Ų1573.5 Ų73.511%0.10534%0.344CS..Hα-helixtrans-62.6-30.7179.171.10000113I285 T286 Q287 K376 S379I285-S289 WeakPolarHBondContact O-CB 3.38Å; I285-S289 PolarHBondContact O-N 2.92Å; I285-S289 PolarHBondContact O-OG 3.43Å; T286-S289 PolarHBondContact O-N 3.32Å; T286-S289 PolarHBondContact O-OG 2.68Å; Q287-S289 PolarHBondContact O-N 3Å; S289-K376 WeakPolarHBondContact CB-O 3.2Å; S289-S379 VanDerWaalsContact CA-OG 3.32Å; S289-S379 WeakPolarHBondContact CA-OG 3.45Å; S289-S379 WeakPolarHBondContact CB-OG 3.48Å
290Q83.8Confident72.9Confident100 Ų10071.5 Ų71.547%0.46735%0.347SS..Hα-helixtrans-83.8-28.1-179.4-70.9174.2-10.600113T286 Q287 L288 I292 T293 Y294T286-Q290 WeakPolarHBondContact O-CG 3.42Å; T286-Q290 PolarHBondContact O-N 3.01Å; Q287-Q290 PolarHBondContact O-N 2.75Å; L288-Q290 PolarHBondContact O-N 2.84Å; Q290-I292 PolarHBondContact O-N 3.12Å; Q290-I292 VanDerWaalsContact O-N 3.11Å; Q290-T293 PolarHBondContact O-N 3.21Å; Q290-T293 VanDerWaalsContact O-N 3.16Å; Q290-Y294 WeakPolarHBondContact O-CD2 3.4Å
291N74.1Confident70.5Confident31 Ų3175.7 Ų75.717%0.16638%0.376CS..Hα-helixtrans-58.8-26.9-177.9-75.2-5000113.1Q287 L288 K295 R327Q287-N291 VanDerWaalsContact O-CG 3.31Å; Q287-N291 PolarHBondContact O-N 2.86Å; Q287-N291 PolarHBondContact O-OD1 2.82Å; L288-N291 PolarHBondContact O-N 2.88Å; N291-K295 PolarHBondContact O-N 3.46Å; N291-R327 PolarHBondContact ND2-O 3.09Å; N291-R327 PolarHBondContact OD1-O 3.39Å
292I65.6Low67.9Low40 Ų4081.5 Ų81.521%0.20541%0.414CS..Hα-helixtrans-79.1-40.6179.6-66.9159.9000112.1Q290 Y294 K295 R296 S379 I381Q290-I292 PolarHBondContact O-N 3.12Å; Q290-I292 VanDerWaalsContact O-N 3.11Å; I292-Y294 PolarHBondContact O-N 2.92Å; I292-K295 PolarHBondContact O-N 2.98Å; I292-R296 PolarHBondContact O-N 3.41Å; I292-S379 WeakPolarHBondContact CD1-O 3.43Å; I292-I381 HydrophobicContact CD1-CB 4.32Å; I292-I381 HydrophobicContact CD1-CD1 3.6Å; I292-I381 HydrophobicContact CD1-CG1 3.65Å; I292-I381 HydrophobicContact CG1-CD1 3.95Å; I292-I381 HydrophobicContact CG1-CG1 4.46Å
293T56.8Low65.3Low70 Ų7088.9 Ų88.943%0.42944%0.443SS..Hα-helixtrans-59.3-31.9-179.6-43.50000111Q290 R297Q290-T293 PolarHBondContact O-N 3.21Å; Q290-T293 VanDerWaalsContact O-N 3.16Å; T293-R297 WeakPolarHBondContact O-CG 3.23Å
294Y50.5Low62.8Low108 Ų10890.4 Ų90.442%0.42446%0.461SS..Hα-helixtrans-82.9-37.5178.7-71.4-69.1000114.4Q290 I292 R296 R297 A298Q290-Y294 WeakPolarHBondContact O-CD2 3.4Å; I292-Y294 PolarHBondContact O-N 2.92Å; Y294-R296 PolarHBondContact O-N 2.82Å; Y294-R297 CarbonylContact O-C 3.53Å; Y294-R297 PolarHBondContact O-N 2.82Å; Y294-A298 PolarHBondContact O-N 3.38Å
295K52.4Low60Low165 Ų165102 Ų10272%0.71751%0.505SS*.Hα-helixtrans-57.2-33.4174.6-78.9-171178.2-177.20112N291 I292N291-K295 PolarHBondContact O-N 3.46Å; I292-K295 PolarHBondContact O-N 2.98Å
296R50.7Low57.2Low215 Ų215106.8 Ų106.881%0.81154%0.538SS*.Hα-helixtrans-75.8-26.8174.2-72.1-171.7177.81780.3114.6I292 Y294I292-R296 PolarHBondContact O-N 3.41Å; Y294-R296 PolarHBondContact O-N 2.82Å
297R46.8Very low54.5Low185 Ų185111.4 Ų111.470%0.69857%0.566SS**THydrogen-bonded Turntrans-94.112.1179.8-69.9-176.3177.5-178.3-0.4113.4T293 Y294 F299T293-R297 WeakPolarHBondContact O-CG 3.23Å; Y294-R297 CarbonylContact O-C 3.53Å; Y294-R297 PolarHBondContact O-N 2.82Å; R297-F299 CarbonylContact O-C 3.4Å; R297-F299 PolarHBondContact O-N 3.24Å
298A47.1Very low51.8Low75 Ų75115.7 Ų115.762%0.6260%0.595SS**  trans-68.32.1179.100000114.3Y294 P300Y294-A298 PolarHBondContact O-N 3.38Å; A298-P300 WeakPolarHBondContact O-CD 3.49Å
299F42.5Very low49.1Very low187 Ų187122.8 Ų122.882%0.8263%0.627SS**SBendtrans-88.7103.9158-67.7-77.1000108.3R297 S301R297-F299 CarbonylContact O-C 3.4Å; R297-F299 PolarHBondContact O-N 3.24Å; F299-S301 PolarHBondContact O-N 3.4Å
300P44Very low46.3Very low114 Ų114129.4 Ų129.474%0.7466%0.661SS**  trans-63.7106.7167.626.6-29.9000106.8A298 P302A298-P300 WeakPolarHBondContact O-CD 3.49Å; P300-P302 WeakPolarHBondContact O-CD 3.39Å
301S40.1Very low43.9Very low92 Ų92131.4 Ų131.464%0.64368%0.68SS**  trans-56.5126155.1520000105.9F299 E303F299-S301 PolarHBondContact O-N 3.4Å; S301-E303 PolarHBondContact O-N 3.46Å
302P41Very low41.8Very low125 Ų125135.4 Ų135.481%0.81271%0.709SS**  trans-59.6108.1171.8-10.823.8000106.1P300 P304P300-P302 WeakPolarHBondContact O-CD 3.39Å; P302-P304 WeakPolarHBondContact O-CD 3.49Å
303E35.7Very low40.1Very low174 Ų174138.5 Ų138.581%0.81373%0.732SS**  trans-58.9126.2174.3-79.1-175.8164.700107.8S301 R305S301-E303 PolarHBondContact O-N 3.46Å; E303-R305 PolarHBondContact O-N 3.18Å
304P39.6Very low38.9Very low108 Ų108142.9 Ų142.970%0.70175%0.752SS**  trans-67.6120.2172.726.7-28.2000106.9P302 S306P302-P304 WeakPolarHBondContact O-CD 3.49Å; P304-S306 VanDerWaalsContact C-N 3.31Å; P304-S306 PolarHBondContact O-N 2.86Å; P304-S306 PolarHBondContact O-OG 2.91Å; P304-S306 VanDerWaalsContact O-OG 3.09Å
305R34.7Very low38.1Very low244 Ų244147.2 Ų147.292%0.92177%0.773SS**  trans-51.197.4173.8-68.7176.9-178.7165.5-0108.4E303 V307E303-R305 PolarHBondContact O-N 3.18Å; R305-V307 PolarHBondContact O-N 3.37Å
306S34.1Very low36.9Very low99 Ų99144.1 Ų144.169%0.69277%0.772SS**  trans-80.6102.6177.4-55.40000106.1P304 V308P304-S306 VanDerWaalsContact C-N 3.31Å; P304-S306 PolarHBondContact O-N 2.86Å; P304-S306 PolarHBondContact O-OG 2.91Å; P304-S306 VanDerWaalsContact O-OG 3.09Å; S306-V308 VanDerWaalsContact C-N 3.32Å; S306-V308 PolarHBondContact O-N 3.34Å
307V34.4Very low36Very low136 Ų136140.5 Ų140.582%0.82477%0.774SS**  trans-67.192.2172.9-176.90000106.8R305R305-V307 PolarHBondContact O-N 3.37Å
308V35.1Very low35.1Very low129 Ų129136.3 Ų136.378%0.78277%0.769SS**  trans-121.2116.9173.5-176.60000109.3S306S306-V308 VanDerWaalsContact C-N 3.32Å; S306-V308 PolarHBondContact O-N 3.34Å
309H32.8Very low34.5Very low167 Ų167137.9 Ų137.977%0.77377%0.773SS**  trans-29.7138.5175.5-81.3-97.1000118T311H309-T311 PolarHBondContact O-N 3Å
310D30.7Very low34.3Very low153 Ų153133.6 Ų133.682%0.81877%0.765SS**  trans-38.1111.8162.9-66.5-54.8000114
311T33.3Very low33.9Very low142 Ų142139 Ų13987%0.87177%0.771SS**  trans-141.786.6150.4260000108.8H309H309-T311 PolarHBondContact O-N 3Å
312C29.2Very low34Very low115 Ų115142.6 Ų142.678%0.77778%0.782SS**  trans-66.6139.6155.8-64.80000107.8
313P31.5Very low34.1Very low105 Ų105141.1 Ų141.168%0.68277%0.77SS**  -154.116263.438.1-16.1000118
314L31.3Very low34.5Very low162 Ų162140 Ų14085%0.84877%0.77SS**  trans57.666.1140.8-64.3162.2000119.3
315F33.7Very low34.7Very low200 Ų200140.7 Ų140.788%0.87776%0.762SS**SBendtrans-130105.1143.3-93.1-86.2000109.7V317F315-V317 PolarHBondContact O-N 3.37Å
316S27.1Very low35.4Very low99 Ų99138.9 Ų138.969%0.69276%0.755SS**  trans16.196.6163.861.50000115.9T318S316-T318 PolarHBondContact O-N 2.93Å
317V31.8Very low36.3Very low139 Ų139141 Ų14184%0.84275%0.748SS**  trans-62.578.8159-177.10000107.9F315 P319F315-V317 PolarHBondContact O-N 3.37Å; V317-P319 WeakPolarHBondContact O-CD 3.47Å
318T28.1Very low37.8Very low98 Ų98140 Ų14060%0.60174%0.738SS**  trans-88.7107.9147.8-49.60000104S316 C320S316-T318 PolarHBondContact O-N 2.93Å; T318-C320 PolarHBondContact O-N 2.8Å
319P34.7Very low40.1Very low107 Ų107139.5 Ų139.570%0.69573%0.726SS**  trans-67.583.9161.629.4-25.2000103.6V317 R321V317-P319 WeakPolarHBondContact O-CD 3.47Å; P319-R321 PolarHBondContact O-N 3.02Å
320C37.7Very low42.8Very low98 Ų98132.3 Ų132.366%0.66269%0.693SS**  trans-58.194.7164.5-77.80000103.1T318 L322T318-C320 PolarHBondContact O-N 2.8Å; C320-L322 PolarHBondContact O-N 2.85Å
321R34.5Very low45.6Very low226 Ų226125.3 Ų125.385%0.85366%0.656SS**  trans-32.296.4170.2-153-178.3-142.1167.84.7104.8P319 V323P319-R321 PolarHBondContact O-N 3.02Å; R321-V323 HydrophobicContact CB-CG2 3.99Å; R321-V323 HydrophobicContact CG-CG2 3.67Å; R321-V323 PolarHBondContact O-N 3.45Å
322L42Very low48.5Very low168 Ų168120 Ų12088%0.8862%0.62SS**  trans-6966.7164.1-81.8159.7000102.9C320 N324C320-L322 PolarHBondContact O-N 2.85Å; L322-N324 VanDerWaalsContact C-N 3.32Å; L322-N324 PolarHBondContact O-N 2.95Å
323V44.8Very low51.5Low94 Ų94122.5 Ų122.557%0.5761%0.614SS**  trans-51.8116.9161.2-176.60000100.6R321 K325R321-V323 HydrophobicContact CB-CG2 3.99Å; R321-V323 HydrophobicContact CG-CG2 3.67Å; R321-V323 PolarHBondContact O-N 3.45Å; V323-K325 HydrophobicContact CG1-CB 4.35Å; V323-K325 PolarHBondContact O-N 3.08Å
324N43Very low54.4Low150 Ų150120.6 Ų120.680%0.80260%0.597SS**  trans-57.657.4161.6-115.7-5.6000107.3L322 R326L322-N324 VanDerWaalsContact C-N 3.32Å; L322-N324 PolarHBondContact O-N 2.95Å; N324-R326 PolarHBondContact O-N 3.29Å
325K45Very low57.4Low123 Ų123112.9 Ų112.954%0.53556%0.557SS.*  trans-61.6102.4177.2-178.4174.6-175.3174.20100.5V323 R327V323-K325 HydrophobicContact CG1-CB 4.35Å; V323-K325 PolarHBondContact O-N 3.08Å; K325-R327 WeakPolarHBondContact O-CA 3.27Å; K325-R327 PolarHBondContact O-N 2.98Å
326R49.1Very low60.3Low207 Ų207105 Ų10578%0.78152%0.524SS*.  trans-39.7109.8-174.8-66.9-163.4175.8-164.40.7105.4N324 D328 F329N324-R326 PolarHBondContact O-N 3.29Å; R326-D328 PolarHBondContact O-N 3.03Å; R326-F329 PolarHBondContact O-N 3.36Å
327R52.4Low63.6Low142 Ų142100.3 Ų100.354%0.53649%0.491SS..THydrogen-bonded Turntrans-60.1-14.9-166.6-68.4-178179.3173.51.8110.6N291 K325 F329N291-R327 PolarHBondContact ND2-O 3.09Å; N291-R327 PolarHBondContact OD1-O 3.39Å; K325-R327 WeakPolarHBondContact O-CA 3.27Å; K325-R327 PolarHBondContact O-N 2.98Å; R327-F329 VanDerWaalsContact C-N 3.3Å; R327-F329 PolarHBondContact O-N 3.2Å
328D65.9Low66.6Low115 Ų11593.7 Ų93.762%0.61545%0.451SS*.THydrogen-bonded Turntrans-69.5-10.9170.8-46.8-47.6000115.6R326 V330R326-D328 PolarHBondContact O-N 3.03Å; D328-V330 PolarHBondContact O-N 2.83Å
329F83.6Confident69.9Low120 Ų12091.1 Ų91.153%0.52643%0.431SS..  trans-77.6105.6179.4-176-99000112R326 R327 S331R326-F329 PolarHBondContact O-N 3.36Å; R327-F329 VanDerWaalsContact C-N 3.3Å; R327-F329 PolarHBondContact O-N 3.2Å; F329-S331 WeakPolarHBondContact CE1-OG 3.12Å
330V89.3Confident72.8Confident16 Ų1687.3 Ų87.310%0.09740%0.404CS..  trans-99.7131174.8-177.80000110V284 L288 D328 Y332V284-V330 HydrophobicContact CB-CG1 4.21Å; V284-V330 HydrophobicContact CG1-CG1 3.75Å; V284-V330 HydrophobicContact CG2-CG1 3.99Å; L288-V330 HydrophobicContact CD2-CG2 3.72Å; L288-V330 HydrophobicContact CG-CG1 4.23Å; L288-V330 HydrophobicContact CG-CG2 4.1Å; D328-V330 PolarHBondContact O-N 2.83Å; V330-Y332 VanDerWaalsContact C-N 3.29Å; V330-Y332 HydrophobicContact CB-CD2 4.01Å; V330-Y332 HydrophobicContact CB-CE2 3.51Å; V330-Y332 HydrophobicContact CG1-CD1 4.09Å; V330-Y332 HydrophobicContact CG1-CD2 3.91Å; V330-Y332 HydrophobicContact CG1-CE1 3.68Å; V330-Y332 HydrophobicContact CG1-CE2 3.52Å; V330-Y332 HydrophobicContact CG1-CG 4.17Å; V330-Y332 HydrophobicContact CG2-CE2 4.4Å; V330-Y332 PolarHBondContact O-N 3.08Å
331S90.1Very high75.6Confident5 Ų582.9 Ų82.94%0.03537%0.374CS..  trans-87.455.5-170.5-48.80000113F329 R333 D334F329-S331 WeakPolarHBondContact CE1-OG 3.12Å; S331-R333 VanDerWaalsContact C-N 3.27Å; S331-R333 PolarHBondContact O-N 3.37Å; S331-D334 WeakPolarHBondContact CB-OD2 3.35Å; S331-D334 WeakPolarHBondContact O-CB 3.33Å; S331-D334 PolarHBondContact O-N 3.11Å
332Y94Very high78.5Confident30 Ų3075.1 Ų75.112%0.11835%0.346CS..G310 helixtrans-59.7-34.7-178.8-62.3-73.2000113.6V284 L288 V330 D334 T338 W339 K342 L345V284-Y332 HydrophobicContact CG1-CD1 3.86Å; V284-Y332 HydrophobicContact CG1-CE1 3.51Å; V284-Y332 HydrophobicContact CG2-CD1 4.24Å; L288-Y332 HydrophobicContact CD1-CE1 4.36Å; L288-Y332 WeakPolarHBondContact CD2-OH 3.32Å; V330-Y332 VanDerWaalsContact C-N 3.29Å; V330-Y332 HydrophobicContact CB-CD2 4.01Å; V330-Y332 HydrophobicContact CB-CE2 3.51Å; V330-Y332 HydrophobicContact CG1-CD1 4.09Å; V330-Y332 HydrophobicContact CG1-CD2 3.91Å; V330-Y332 HydrophobicContact CG1-CE1 3.68Å; V330-Y332 HydrophobicContact CG1-CE2 3.52Å; V330-Y332 HydrophobicContact CG1-CG 4.17Å; V330-Y332 HydrophobicContact CG2-CE2 4.4Å; V330-Y332 PolarHBondContact O-N 3.08Å; Y332-D334 PolarHBondContact O-N 3.25Å; Y332-T338 CarbonylContact O-C 3.51Å; Y332-T338 WeakPolarHBondContact O-CB 3.48Å; Y332-T338 PolarHBondContact O-OG1 3.23Å; Y332-W339 PolarHBondContact O-N 2.98Å; Y332-W339 VanDerWaalsContact O-N 3.08Å; Y332-K342 HydrophobicContact CD1-CB 4.19Å; Y332-K342 HydrophobicContact CD1-CG 4.28Å; Y332-K342 HydrophobicContact CD2-CD 4.46Å; Y332-K342 HydrophobicContact CD2-CG 3.85Å; Y332-K342 HydrophobicContact CE2-CG 4.06Å; Y332-K342 HydrophobicContact CG-CB 4.16Å; Y332-K342 HydrophobicContact CG-CG 3.95Å; Y332-L345 HydrophobicContact CE1-CB 4.36Å; Y332-L345 WeakPolarHBondContact CE1-O 3.44Å; Y332-L345 PolarHBondContact OH-O 2.99Å
333R93Very high80.8Confident169 Ų16969.4 Ų69.464%0.63832%0.316SS*.G310 helixtrans-73.8-7.1-176.3-67.6-165.5179.3125.3-0.3114.2E171 S331 S335 W339E171-R333 IonicContact OE1-NH2 3.15Å; E171-R333 IonicContact OE2-CZ 3.45Å; E171-R333 IonicContact OE2-NE 3.83Å; E171-R333 IonicContact OE2-NH2 2.67Å; E171-R333 PolarHBondContact OE2-NH2 3.37Å; S331-R333 VanDerWaalsContact C-N 3.27Å; S331-R333 PolarHBondContact O-N 3.37Å; R333-S335 PolarHBondContact O-N 3.01Å; R333-W339 HydrophobicContact CG-CD2 4.23Å; R333-W339 HydrophobicContact CG-CG 4.21Å
334D91.4Very high83.2Confident64 Ų6465.4 Ų65.434%0.34229%0.293SS..G310 helixtrans-65.7-22.5179.2-72.82000111.2K276 T280 K283 S331 Y332K276-D334 WeakPolarHBondContact CE-O 3.13Å; K276-D334 PolarHBondContact NZ-O 3.07Å; T280-D334 HydrophobicContact CG2-CB 3.45Å; T280-D334 VanDerWaalsContact CG2-CB 3.45Å; K283-D334 IonicContact NZ-OD2 2.89Å; K283-D334 PolarHBondContact NZ-OD2 3.31Å; S331-D334 WeakPolarHBondContact CB-OD2 3.35Å; S331-D334 WeakPolarHBondContact O-CB 3.33Å; S331-D334 PolarHBondContact O-N 3.11Å; Y332-D334 PolarHBondContact O-N 3.25Å
335S94.2Very high85.6Confident1 Ų158.3 Ų58.31%0.00726%0.255CS..SBendtrans-140.9153.4170.7790000112.8E152 R333 L337 T338 W339E152-S335 WeakPolarHBondContact OE2-CA 3.21Å; E152-S335 WeakPolarHBondContact OE2-CB 3.16Å; R333-S335 PolarHBondContact O-N 3.01Å; S335-L337 VanDerWaalsContact C-N 3.31Å; S335-L337 PolarHBondContact O-N 3.37Å; S335-T338 PolarHBondContact N-OG1 2.68Å; S335-T338 PolarHBondContact O-N 3.02Å; S335-T338 PolarHBondContact O-OG1 3.47Å; S335-T338 VanDerWaalsContact O-OG1 3.13Å; S335-T338 WeakPolarHBondContact OG-CB 3.48Å; S335-T338 WeakPolarHBondContact OG-CG2 3.44Å; S335-T338 PolarHBondContact OG-N 3.03Å; S335-T338 VanDerWaalsContact OG-N 3.14Å; S335-T338 PolarHBondContact OG-OG1 2.77Å; S335-W339 WeakPolarHBondContact O-CB 3.44Å; S335-W339 PolarHBondContact O-N 3.08Å
336L95.5Very high87.6Confident34 Ų3454 Ų5418%0.17825%0.245CC..Hα-helixtrans-62.4-39.9177-65.3-172.1000112E152 I154 V169 W339 L340E152-L336 WeakPolarHBondContact O-CD1 3.21Å; E152-L336 PolarHBondContact OE2-N 3.07Å; I154-L336 HydrophobicContact CD1-CD1 4.05Å; I154-L336 HydrophobicContact CG1-CD1 3.96Å; V169-L336 HydrophobicContact CB-CD2 4.35Å; V169-L336 HydrophobicContact CG2-CD2 3.92Å; L336-W339 HydrophobicContact CD2-CE3 4.16Å; L336-W339 PolarHBondContact O-N 3.06Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 WeakPolarHBondContact O-CG 3.42Å; L336-L340 PolarHBondContact O-N 3.01Å
337L95.7Very high89.6Confident1 Ų145 Ų451%0.00522%0.217CC..Hα-helixtrans-58.9-52.8177.9176.669.4000110.9I149 H219 L252 L281 S335 W339 L340 L341I149-L337 HydrophobicContact CD1-CB 4.16Å; I149-L337 HydrophobicContact CD1-CD1 4.01Å; H219-L337 HydrophobicContact CB-CD1 4.34Å; L252-L337 HydrophobicContact CD2-CD1 3.99Å; L252-L337 HydrophobicContact CD2-CD2 3.7Å; L252-L337 HydrophobicContact CD2-CG 4.44Å; L281-L337 HydrophobicContact CD2-CD2 4.46Å; S335-L337 VanDerWaalsContact C-N 3.31Å; S335-L337 PolarHBondContact O-N 3.37Å; L337-W339 VanDerWaalsContact C-N 3.27Å; L337-W339 PolarHBondContact O-N 2.84Å; L337-L340 PolarHBondContact O-N 3.26Å; L337-L341 HydrophobicContact CD1-CD1 3.77Å; L337-L341 HydrophobicContact CD1-CG 4.25Å; L337-L341 HydrophobicContact CG-CD1 4Å; L337-L341 WeakPolarHBondContact O-CB 3.44Å; L337-L341 WeakPolarHBondContact O-CG 3.29Å; L337-L341 PolarHBondContact O-N 3.46Å
338T95.6Very high91.5Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-68.9-27.1-179.250.40000113T280 L281 V284 Y332 S335 K342T280-T338 HydrophobicContact CG2-CG2 3.85Å; T280-T338 VanDerWaalsContact CG2-OG1 3.31Å; T280-T338 WeakPolarHBondContact CG2-OG1 3.39Å; L281-T338 VanDerWaalsContact CA-CG2 3.47Å; L281-T338 HydrophobicContact CB-CG2 3.83Å; L281-T338 HydrophobicContact CD1-CG2 3.71Å; L281-T338 HydrophobicContact CG-CG2 4.38Å; V284-T338 HydrophobicContact CG2-CG2 4.15Å; Y332-T338 CarbonylContact O-C 3.51Å; Y332-T338 WeakPolarHBondContact O-CB 3.48Å; Y332-T338 PolarHBondContact O-OG1 3.23Å; S335-T338 PolarHBondContact N-OG1 2.68Å; S335-T338 PolarHBondContact O-N 3.02Å; S335-T338 PolarHBondContact O-OG1 3.47Å; S335-T338 VanDerWaalsContact O-OG1 3.13Å; S335-T338 WeakPolarHBondContact OG-CB 3.48Å; S335-T338 WeakPolarHBondContact OG-CG2 3.44Å; S335-T338 PolarHBondContact OG-N 3.03Å; S335-T338 VanDerWaalsContact OG-N 3.14Å; S335-T338 PolarHBondContact OG-OG1 2.77Å; T338-K342 PolarHBondContact O-N 2.8Å; T338-K342 VanDerWaalsContact O-N 3.16Å
339W96.1Very high92.9Very high44 Ų4434.2 Ų34.217%0.16717%0.17CC..Hα-helixtrans-70.1-44.8174.9-166.413000110.8V169 E171 P177 Y332 R333 S335 L336 L337 L341 K342V169-W339 HydrophobicContact CB-CE3 3.84Å; V169-W339 HydrophobicContact CB-CH2 4.32Å; V169-W339 HydrophobicContact CB-CZ3 3.67Å; V169-W339 HydrophobicContact CG1-CD2 3.87Å; V169-W339 HydrophobicContact CG1-CE3 3.57Å; V169-W339 HydrophobicContact CG1-CH2 4.07Å; V169-W339 HydrophobicContact CG1-CZ2 4.35Å; V169-W339 HydrophobicContact CG1-CZ3 3.68Å; E171-W339 HydrophobicContact CB-CZ2 4.12Å; E171-W339 PolarHBondContact OE2-NE1 3.25Å; E171-W339 VanDerWaalsContact OE2-NE1 3.1Å; P177-W339 HydrophobicContact CB-CG 4.45Å; P177-W339 VanDerWaalsContact CG-CD1 3.46Å; P177-W339 HydrophobicContact CG-CG 4.38Å; P177-W339 WeakPolarHBondContact CG-O 3.46Å; Y332-W339 PolarHBondContact O-N 2.98Å; Y332-W339 VanDerWaalsContact O-N 3.08Å; R333-W339 HydrophobicContact CG-CD2 4.23Å; R333-W339 HydrophobicContact CG-CG 4.21Å; S335-W339 WeakPolarHBondContact O-CB 3.44Å; S335-W339 PolarHBondContact O-N 3.08Å; L336-W339 HydrophobicContact CD2-CE3 4.16Å; L336-W339 PolarHBondContact O-N 3.06Å; L337-W339 VanDerWaalsContact C-N 3.27Å; L337-W339 PolarHBondContact O-N 2.84Å; W339-L341 VanDerWaalsContact C-N 3.32Å; W339-L341 PolarHBondContact O-N 3.13Å; W339-K342 WeakPolarHBondContact O-CB 3.35Å; W339-K342 PolarHBondContact O-N 2.64Å
340L96.8Very high93.6Very high26 Ų2629.3 Ų29.314%0.13615%0.15CC..Hα-helixtrans-68.3-31.1175.7-67.9167.9000112.6Y147 I149 I154 V169 P177 I179 L336 L337 K342Y147-L340 HydrophobicContact CE2-CD1 4.02Å; I149-L340 HydrophobicContact CD1-CD1 3.91Å; I154-L340 HydrophobicContact CD1-CD1 3.85Å; V169-L340 HydrophobicContact CG1-CD2 3.9Å; V169-L340 HydrophobicContact CG1-CG 4.46Å; V169-L340 HydrophobicContact CG2-CD1 4.25Å; V169-L340 HydrophobicContact CG2-CD2 4.11Å; V169-L340 HydrophobicContact CG2-CG 4.25Å; P177-L340 HydrophobicContact CB-CD2 4.48Å; I179-L340 HydrophobicContact CD1-CD1 3.89Å; I179-L340 HydrophobicContact CD1-CD2 4.1Å; I179-L340 HydrophobicContact CG1-CD1 4.15Å; I179-L340 HydrophobicContact CG1-CD2 3.68Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 WeakPolarHBondContact O-CG 3.42Å; L336-L340 PolarHBondContact O-N 3.01Å; L337-L340 PolarHBondContact O-N 3.26Å; L340-K342 VanDerWaalsContact C-N 3.29Å; L340-K342 PolarHBondContact O-N 3.28Å
341L96.1Very high94Very high6 Ų628.7 Ų28.73%0.03115%0.146CC..THydrogen-bonded Turntrans-86.69.2175.1-63.7-179000114.1V250 L281 L337 W339 D343 S344 L345V250-L341 HydrophobicContact CG2-CD2 4.04Å; L281-L341 HydrophobicContact CD1-CD1 4.34Å; L337-L341 HydrophobicContact CD1-CD1 3.77Å; L337-L341 HydrophobicContact CD1-CG 4.25Å; L337-L341 HydrophobicContact CG-CD1 4Å; L337-L341 WeakPolarHBondContact O-CB 3.44Å; L337-L341 WeakPolarHBondContact O-CG 3.29Å; L337-L341 PolarHBondContact O-N 3.46Å; W339-L341 VanDerWaalsContact C-N 3.32Å; W339-L341 PolarHBondContact O-N 3.13Å; L341-D343 VanDerWaalsContact C-N 3.28Å; L341-D343 PolarHBondContact O-N 3.29Å; L341-S344 CarbonylContact O-C 3.53Å; L341-S344 WeakPolarHBondContact O-CA 3.35Å; L341-S344 WeakPolarHBondContact O-CB 3.47Å; L341-S344 PolarHBondContact O-N 3.03Å; L341-L345 HydrophobicContact CB-CD1 4.24Å; L341-L345 PolarHBondContact O-N 2.7Å
342K94.3Very high94.4Very high63 Ų6328.6 Ų28.627%0.27415%0.145SC..THydrogen-bonded Turntrans-54.1-44.6179.7178.9-169.5175.4-150.90112.1E171 P177 Y332 T338 W339 L340 S344 L345E171-K342 IonicContact OE1-NZ 3.55Å; E171-K342 PolarHBondContact OE1-NZ 3.42Å; P177-K342 HydrophobicContact CG-CB 4.39Å; P177-K342 HydrophobicContact CG-CD 4.07Å; Y332-K342 HydrophobicContact CD1-CB 4.19Å; Y332-K342 HydrophobicContact CD1-CG 4.28Å; Y332-K342 HydrophobicContact CD2-CD 4.46Å; Y332-K342 HydrophobicContact CD2-CG 3.85Å; Y332-K342 HydrophobicContact CE2-CG 4.06Å; Y332-K342 HydrophobicContact CG-CB 4.16Å; Y332-K342 HydrophobicContact CG-CG 3.95Å; T338-K342 PolarHBondContact O-N 2.8Å; T338-K342 VanDerWaalsContact O-N 3.16Å; W339-K342 WeakPolarHBondContact O-CB 3.35Å; W339-K342 PolarHBondContact O-N 2.64Å; L340-K342 VanDerWaalsContact C-N 3.29Å; L340-K342 PolarHBondContact O-N 3.28Å; K342-S344 VanDerWaalsContact C-N 3.3Å; K342-S344 PolarHBondContact O-N 3.32Å; K342-L345 PolarHBondContact O-N 3.3Å; K342-L345 VanDerWaalsContact O-O 3.08Å
343D91.8Very high94.6Very high47 Ų4727.1 Ų27.125%0.25114%0.14SC..THydrogen-bonded Turntrans-73.9-26.5179.9-73.11.1000112.1L341 G347 N348 A349L341-D343 VanDerWaalsContact C-N 3.28Å; L341-D343 PolarHBondContact O-N 3.29Å; D343-G347 CarbonylContact O-C 3.5Å; D343-G347 VanDerWaalsContact O-CA 3.26Å; D343-G347 WeakPolarHBondContact O-CA 3.37Å; D343-G347 PolarHBondContact O-N 3.39Å; D343-N348 CarbonylContact O-C 3.4Å; D343-N348 PolarHBondContact O-N 2.84Å; D343-A349 PolarHBondContact O-N 2.96Å
344S94.4Very high94.9Very high10 Ų1019.1 Ų19.17%0.0711%0.109CC..THydrogen-bonded Turntrans-76.7-23.5177.1-60.40000113.5C94 L341 K342 T351 N382C94-S344 WeakPolarHBondContact CB-OG 3.5Å; C94-S344 PolarHBondContact SG-OG 2.7Å; L341-S344 CarbonylContact O-C 3.53Å; L341-S344 WeakPolarHBondContact O-CA 3.35Å; L341-S344 WeakPolarHBondContact O-CB 3.47Å; L341-S344 PolarHBondContact O-N 3.03Å; K342-S344 VanDerWaalsContact C-N 3.3Å; K342-S344 PolarHBondContact O-N 3.32Å; S344-T351 WeakPolarHBondContact O-CB 3.26Å; S344-T351 WeakPolarHBondContact O-CG2 3.48Å; S344-T351 PolarHBondContact O-OG1 3.47Å; S344-N382 PolarHBondContact O-ND2 3.16Å
345L92.8Very high95.2Very high1 Ų116 Ų161%0.0059%0.093CC..THydrogen-bonded Turntrans-122.796.6-176.2-62.5173.2000109.5F96 L281 V284 L288 Y332 L341 K342 I380F96-L345 HydrophobicContact CE1-CD2 4Å; F96-L345 HydrophobicContact CZ-CD2 4.16Å; L281-L345 HydrophobicContact CD1-CD1 3.52Å; V284-L345 HydrophobicContact CG1-CD1 4.37Å; L288-L345 HydrophobicContact CD1-CB 3.99Å; Y332-L345 HydrophobicContact CE1-CB 4.36Å; Y332-L345 WeakPolarHBondContact CE1-O 3.44Å; Y332-L345 PolarHBondContact OH-O 2.99Å; L341-L345 HydrophobicContact CB-CD1 4.24Å; L341-L345 PolarHBondContact O-N 2.7Å; K342-L345 PolarHBondContact O-N 3.3Å; K342-L345 VanDerWaalsContact O-O 3.08Å; L345-I380 HydrophobicContact CD2-CD1 4.45Å
346G87.3Confident95.4Very high32 Ų3216 Ų1633%0.339%0.093SC..THydrogen-bonded Turntrans83.27.6-177.900000115N382G346-N382 WeakPolarHBondContact CA-OD1 3.4Å; G346-N382 PolarHBondContact N-OD1 3.02Å
347G90.7Very high95.5Very high18 Ų1814.4 Ų14.419%0.1868%0.084CC..SBendtrans-117.8-150.8-177.500000113.9D343 A349 S383D343-G347 CarbonylContact O-C 3.5Å; D343-G347 VanDerWaalsContact O-CA 3.26Å; D343-G347 WeakPolarHBondContact O-CA 3.37Å; D343-G347 PolarHBondContact O-N 3.39Å; G347-A349 PolarHBondContact O-N 2.88Å; G347-S383 PolarHBondContact O-N 2.7Å
348N93.2Very high95.4Very high29 Ų2914.4 Ų14.416%0.1558%0.084CC..SBendtrans-9075.8-177.9-18019.6000111.9N92 D343 A384 M385 N387N92-N348 WeakPolarHBondContact CB-O 3.08Å; N92-N348 PolarHBondContact ND2-O 3.44Å; N92-N348 VanDerWaalsContact ND2-O 3.16Å; D343-N348 CarbonylContact O-C 3.4Å; D343-N348 PolarHBondContact O-N 2.84Å; N348-A384 WeakPolarHBondContact OD1-CA 3.33Å; N348-M385 PolarHBondContact OD1-N 2.7Å; N348-M385 PolarHBondContact OD1-O 2.69Å; N348-N387 PolarHBondContact ND2-OD1 3.45Å
349A95.7Very high95.2Very high2 Ų214.4 Ų14.42%0.0178%0.084CC..SBendtrans-159.2148.916800000111.9N92 D343 G347 N382N92-A349 HydrophobicContact CB-CB 3.97Å; N92-A349 CarbonylContact O-C 3.6Å; N92-A349 VanDerWaalsContact O-CA 3.31Å; N92-A349 WeakPolarHBondContact O-CA 3.43Å; D343-A349 PolarHBondContact O-N 2.96Å; G347-A349 PolarHBondContact O-N 2.88Å; A349-N382 VanDerWaalsContact O-CB 3.24Å; A349-N382 WeakPolarHBondContact O-CB 3.43Å; A349-N382 PolarHBondContact O-ND2 2.92Å
350V97.4Very high94.9Very high18 Ų1812.3 Ų12.311%0.1098%0.077CC..EExtended strand (participates in β ladder)trans-81.5115.6163.2-176.10000107.6L83 N92 A93 C94 A384L83-V350 HydrophobicContact CD2-CB 4.19Å; L83-V350 HydrophobicContact CD2-CG1 3.74Å; N92-V350 PolarHBondContact O-N 2.56Å; A93-V350 CarbonylContact C-O 3.59Å; A93-V350 WeakPolarHBondContact CA-O 3.49Å; C94-V350 PolarHBondContact N-O 3.35Å; V350-A384 HydrophobicContact CG2-CB 3.73Å
351T98.2Very high94.6Very high2 Ų212.9 Ų12.91%0.0128%0.079CC..EExtended strand (participates in β ladder)trans-119.4133.2-169.6-60.90000111.9V5 I6 C94 F96 S344 N382V5-T351 HydrophobicContact CG1-CG2 4.19Å; V5-T351 HydrophobicContact CG2-CG2 4.41Å; I6-T351 PolarHBondContact N-O 2.81Å; C94-T351 HydrophobicContact CB-CG2 4.22Å; C94-T351 CarbonylContact O-C 3.52Å; C94-T351 VanDerWaalsContact O-CA 3.31Å; C94-T351 WeakPolarHBondContact O-CA 3.33Å; F96-T351 HydrophobicContact CD1-CG2 3.93Å; F96-T351 HydrophobicContact CE1-CG2 3.48Å; F96-T351 VanDerWaalsContact CE1-CG2 3.48Å; S344-T351 WeakPolarHBondContact O-CB 3.26Å; S344-T351 WeakPolarHBondContact O-CG2 3.48Å; S344-T351 PolarHBondContact O-OG1 3.47Å; T351-N382 WeakPolarHBondContact CB-ND2 3.44Å; T351-N382 PolarHBondContact OG1-ND2 3.05Å
352V98.6Very high94.2Very high3 Ų317.2 Ų17.22%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-117130.2172.5179.50000109.8I6 I79 L83 C94 L95 F96I6-V352 HydrophobicContact CB-CG2 3.98Å; I6-V352 HydrophobicContact CD1-CG2 4.24Å; I6-V352 HydrophobicContact CG2-CG1 4.43Å; I6-V352 HydrophobicContact CG2-CG2 4.29Å; I6-V352 CarbonylContact O-C 3.52Å; I6-V352 VanDerWaalsContact O-CA 3.28Å; I6-V352 WeakPolarHBondContact O-CA 3.32Å; I79-V352 HydrophobicContact CB-CG1 4.1Å; I79-V352 HydrophobicContact CD1-CG1 4.2Å; I79-V352 HydrophobicContact CG2-CG1 4.29Å; L83-V352 HydrophobicContact CD1-CB 4.09Å; L83-V352 HydrophobicContact CD1-CG2 3.73Å; L83-V352 HydrophobicContact CD2-CG2 3.93Å; L83-V352 HydrophobicContact CG-CG2 3.96Å; C94-V352 PolarHBondContact O-N 2.79Å; L95-V352 WeakPolarHBondContact CA-O 3.39Å; L95-V352 HydrophobicContact CG-CB 4.5Å; F96-V352 PolarHBondContact N-O 2.69Å
353M98.5Very high94.1Very high0 Ų017.2 Ų17.20%011%0.106CC..EExtended strand (participates in β ladder)trans-100.6122.7167.8177.5179.7174.800109.8V5 I6 V7 A8 F96 Y98 A355 Y373 A374 A377V5-M353 HydrophobicContact CG1-CB 4.28Å; I6-M353 PolarHBondContact O-N 2.79Å; V7-M353 HydrophobicContact CG2-CB 4.28Å; A8-M353 PolarHBondContact N-O 2.74Å; F96-M353 HydrophobicContact CD2-CB 4.41Å; F96-M353 HydrophobicContact CD2-CG 4.12Å; F96-M353 HydrophobicContact CE1-CB 4.24Å; F96-M353 HydrophobicContact CE2-CB 3.73Å; F96-M353 HydrophobicContact CE2-CG 3.44Å; F96-M353 VanDerWaalsContact CE2-CG 3.44Å; F96-M353 HydrophobicContact CE2-SD 3.91Å; F96-M353 HydrophobicContact CZ-CB 3.63Å; F96-M353 HydrophobicContact CZ-CG 3.86Å; F96-M353 HydrophobicContact CZ-SD 4.24Å; Y98-M353 HydrophobicContact CD1-CE 3.84Å; Y98-M353 HydrophobicContact CG-CE 3.88Å; M353-A355 HydrophobicContact CE-CB 4.16Å; M353-Y373 HydrophobicContact CE-CD1 3.51Å; M353-Y373 HydrophobicContact CE-CE1 3.85Å; M353-Y373 HydrophobicContact SD-CD1 4.47Å; M353-Y373 HydrophobicContact SD-CE1 4.49Å; M353-A374 HydrophobicContact CE-CB 3.79Å; M353-A374 HydrophobicContact SD-CB 4.15Å; M353-A377 HydrophobicContact SD-CB 3.51Å; M353-A377 VanDerWaalsContact SD-CB 3.51Å
354L98.7Very high94.1Very high0 Ų015.5 Ų15.50%010%0.096CC..EExtended strand (participates in β ladder)trans-99.398.2169.4-179.362.3000109.9A8 R10 F57 I79 F96 A97 Y98 I118 T356A8-L354 HydrophobicContact CB-CD1 4.04Å; A8-L354 CarbonylContact O-C 3.58Å; R10-L354 HydrophobicContact CB-CD1 4.05Å; F57-L354 HydrophobicContact CD2-CD1 4.47Å; I79-L354 HydrophobicContact CD1-CB 4.23Å; I79-L354 HydrophobicContact CD1-CD1 3.98Å; I79-L354 HydrophobicContact CD1-CD2 4.29Å; I79-L354 HydrophobicContact CD1-CG 4.39Å; F96-L354 PolarHBondContact O-N 2.76Å; A97-L354 CarbonylContact C-O 3.53Å; A97-L354 VanDerWaalsContact CA-O 3.32Å; A97-L354 WeakPolarHBondContact CA-O 3.1Å; Y98-L354 PolarHBondContact N-O 2.77Å; I118-L354 HydrophobicContact CD1-CD2 4.19Å; L354-T356 HydrophobicContact CD2-CG2 4.36Å; L354-T356 HydrophobicContact CG-CG2 4.1Å; L354-T356 PolarHBondContact O-N 2.66Å
355A98.6Very high94Very high0 Ų020.3 Ų20.30%012%0.121CC..EExtended strand (participates in β ladder)trans-79.5113.1173.300000110A8 V9 R10 Y98 M353 T370 A374A8-A355 PolarHBondContact O-N 3.46Å; V9-A355 CarbonylContact C-O 3.59Å; V9-A355 VanDerWaalsContact CA-O 3.28Å; V9-A355 WeakPolarHBondContact CA-O 3.48Å; V9-A355 HydrophobicContact CG2-CB 4.13Å; R10-A355 PolarHBondContact N-O 2.88Å; Y98-A355 CarbonylContact O-C 3.58Å; Y98-A355 WeakPolarHBondContact O-CA 3.5Å; M353-A355 HydrophobicContact CE-CB 4.16Å; A355-T370 HydrophobicContact CB-CG2 4.06Å; A355-A374 HydrophobicContact CB-CB 3.93Å
356T98.2Very high94Very high1 Ų122.2 Ų22.21%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-101131.7178.357.20000109.9R10 Y98 S103 K105 L354R10-T356 WeakPolarHBondContact O-CA 3.28Å; Y98-T356 PolarHBondContact O-N 3.5Å; Y98-T356 PolarHBondContact O-OG1 3.49Å; Y98-T356 VanDerWaalsContact O-OG1 3.13Å; S103-T356 WeakPolarHBondContact CB-O 3.28Å; S103-T356 WeakPolarHBondContact OG-CB 3.36Å; S103-T356 PolarHBondContact OG-OG1 3.48Å; K105-T356 HydrophobicContact CG-CG2 4.33Å; K105-T356 WeakPolarHBondContact CG-OG1 3.33Å; L354-T356 HydrophobicContact CD2-CG2 4.36Å; L354-T356 HydrophobicContact CG-CG2 4.1Å; L354-T356 PolarHBondContact O-N 2.66Å
357V96.8Very high94.3Very high0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-130.9148-174.5-63.80000111.7V9 R10 V11 R12 I27 T367 T370 L371V9-V357 HydrophobicContact CG1-CG2 4.01Å; R10-V357 PolarHBondContact O-N 3.17Å; V11-V357 HydrophobicContact CB-CG2 4.23Å; V11-V357 HydrophobicContact CG2-CG2 3.66Å; R12-V357 PolarHBondContact N-O 3.42Å; I27-V357 HydrophobicContact CD1-CB 4.32Å; I27-V357 HydrophobicContact CD1-CG2 3.9Å; V357-T367 HydrophobicContact CB-CG2 4.12Å; V357-T367 HydrophobicContact CG1-CG2 4.2Å; V357-T370 HydrophobicContact CG1-CG2 3.83Å; V357-L371 HydrophobicContact CG1-CD2 4.12Å; V357-L371 HydrophobicContact CG1-CG 4.39Å
358S93.5Very high94.5Very high0 Ų020.1 Ų20.10%011%0.107CC..  trans-88.2134.9177.5-172.60000109.9R12 I27 C360 H363 T367R12-S358 PolarHBondContact NH2-OG 3.48Å; I27-S358 WeakPolarHBondContact CD1-O 3.31Å; S358-C360 PolarHBondContact O-N 2.88Å; S358-C360 VanDerWaalsContact O-N 3.16Å; S358-H363 WeakPolarHBondContact CB-ND1 3.48Å; S358-H363 PolarHBondContact OG-ND1 3.27Å; S358-T367 PolarHBondContact O-OG1 2.76Å
359P91.5Very high94.5Very high0 Ų021 Ų210%012%0.116CC..  trans-75.66.5174.334.5-39.6000113.1V11 R12 L14 C25 P26 L60V11-P359 HydrophobicContact CG1-CB 3.99Å; R12-P359 WeakPolarHBondContact O-CD 3.17Å; R12-P359 VanDerWaalsContact O-CG 3.26Å; R12-P359 WeakPolarHBondContact O-CG 3.2Å; L14-P359 HydrophobicContact CD2-CB 4.21Å; L14-P359 HydrophobicContact CD2-CG 3.7Å; L14-P359 HydrophobicContact CG-CB 4.44Å; L14-P359 HydrophobicContact CG-CG 3.92Å; C25-P359 WeakPolarHBondContact CA-O 3.22Å; P26-P359 WeakPolarHBondContact CD-O 3.24Å; L60-P359 HydrophobicContact CD2-CB 4.48Å
360C90.6Very high94.6Very high1 Ų121 Ų211%0.00712%0.115CC..  trans-88.4132.5-171.3-171.30000111E18 L23 S358 T362 H363E18-C360 HydrophobicContact CG-CB 4.2Å; E18-C360 WeakPolarHBondContact OE1-CB 3.35Å; L23-C360 VanDerWaalsContact CD1-SG 3.5Å; S358-C360 PolarHBondContact O-N 2.88Å; S358-C360 VanDerWaalsContact O-N 3.16Å; C360-T362 VanDerWaalsContact C-N 3.25Å; C360-T362 PolarHBondContact O-N 3.22Å; C360-T362 PolarHBondContact SG-OG1 3.45Å; C360-H363 HydrophobicContact CB-CB 4.45Å; C360-H363 PolarHBondContact O-N 3.22Å
361Q89Confident94.6Very high38 Ų3820.1 Ų20.118%0.17811%0.11CC..G310 helixtrans-55.9-36.7176.6-164.2178.1-800113.4Q24 P40 N41 H363 Y364Q24-Q361 WeakPolarHBondContact O-CB 3.29Å; P40-Q361 HydrophobicContact CB-CG 3.6Å; P40-Q361 HydrophobicContact CG-CG 4.45Å; N41-Q361 PolarHBondContact OD1-NE2 3.38Å; Q361-H363 PolarHBondContact O-N 3.26Å; Q361-Y364 VanDerWaalsContact O-CB 3.27Å; Q361-Y364 WeakPolarHBondContact O-CB 3.43Å; Q361-Y364 PolarHBondContact O-N 2.66Å; Q361-Y364 VanDerWaalsContact O-N 3.13Å
362T89.2Confident94.5Very high97 Ų9725.8 Ų25.860%0.59513%0.131SC*.G310 helixtrans-65-20.1179.460.30000112.8L23 C360L23-T362 HydrophobicContact CD1-CG2 4.39Å; L23-T362 HydrophobicContact CD2-CG2 4.28Å; C360-T362 VanDerWaalsContact C-N 3.25Å; C360-T362 PolarHBondContact O-N 3.22Å; C360-T362 PolarHBondContact SG-OG1 3.45Å
363H91.1Very high94.4Very high63 Ų6326.6 Ų26.629%0.29213%0.134SC..G310 helixtrans-100.615.5-179.6-57.2155.2000112.4E18 M100 S358 C360 Q361 D365 E366 T367E18-H363 IonicContact OE1-CE1 3.61Å; E18-H363 IonicContact OE1-ND1 3.97Å; M100-H363 HydrophobicContact CE-CB 3.76Å; M100-H363 HydrophobicContact SD-CB 3.66Å; S358-H363 WeakPolarHBondContact CB-ND1 3.48Å; S358-H363 PolarHBondContact OG-ND1 3.27Å; C360-H363 HydrophobicContact CB-CB 4.45Å; C360-H363 PolarHBondContact O-N 3.22Å; Q361-H363 PolarHBondContact O-N 3.26Å; H363-D365 PolarHBondContact O-N 3.27Å; H363-E366 PolarHBondContact O-N 3.25Å; H363-T367 WeakPolarHBondContact O-CB 3.41Å; H363-T367 PolarHBondContact O-N 2.77Å; H363-T367 PolarHBondContact O-OG1 3.44Å
364Y92.3Very high94.3Very high11 Ų1126.6 Ų26.64%0.04313%0.134CC..Hα-helixtrans-50.7-50.2-177.7171.9-96.1000113P26 V37 F38 P40 Q361 E366 T367 L368P26-Y364 HydrophobicContact CB-CD2 4.27Å; V37-Y364 HydrophobicContact CG1-CD2 3.98Å; V37-Y364 HydrophobicContact CG1-CE2 3.49Å; V37-Y364 VanDerWaalsContact CG1-CE2 3.49Å; F38-Y364 WeakPolarHBondContact O-CE2 3.28Å; P40-Y364 VanDerWaalsContact CD-CE2 3.49Å; P40-Y364 HydrophobicContact CG-CD1 4.15Å; P40-Y364 HydrophobicContact CG-CD2 4.19Å; P40-Y364 HydrophobicContact CG-CG 3.9Å; Q361-Y364 VanDerWaalsContact O-CB 3.27Å; Q361-Y364 WeakPolarHBondContact O-CB 3.43Å; Q361-Y364 PolarHBondContact O-N 2.66Å; Q361-Y364 VanDerWaalsContact O-N 3.13Å; Y364-E366 VanDerWaalsContact C-N 3.32Å; Y364-E366 PolarHBondContact O-N 3.5Å; Y364-T367 PolarHBondContact O-N 2.97Å; Y364-L368 HydrophobicContact CE1-CD2 4.09Å; Y364-L368 WeakPolarHBondContact O-CB 3.45Å; Y364-L368 PolarHBondContact O-N 2.62Å
365D91.6Very high94.2Very high111 Ų11130.8 Ų30.859%0.59415%0.152SC*.Hα-helixtrans-64.5-37-175.9-70-41.2000112.7H363 S369H363-D365 PolarHBondContact O-N 3.27Å; D365-S369 VanDerWaalsContact O-CB 3.28Å; D365-S369 WeakPolarHBondContact O-CB 2.7Å; D365-S369 PolarHBondContact O-N 3.4Å; D365-S369 PolarHBondContact O-OG 3.43Å
366E92.4Very high94.1Very high41 Ų4135.1 Ų35.119%0.19217%0.171CC..Hα-helixtrans-75.6-38.9179.1-68.3-59.7161.200111.8M100 E256 R257 H363 Y364 S369 T370M100-E366 HydrophobicContact CB-CB 4.4Å; M100-E366 HydrophobicContact CE-CB 3.32Å; M100-E366 HydrophobicContact SD-CB 4.01Å; E256-E366 WeakPolarHBondContact CA-OE2 3.38Å; E256-E366 HydrophobicContact CB-CG 4.24Å; R257-E366 PolarHBondContact N-OE1 2.99Å; H363-E366 PolarHBondContact O-N 3.25Å; Y364-E366 VanDerWaalsContact C-N 3.32Å; Y364-E366 PolarHBondContact O-N 3.5Å; E366-S369 PolarHBondContact O-N 3.16Å; E366-T370 WeakPolarHBondContact O-CB 3.49Å; E366-T370 PolarHBondContact O-N 3.21Å; E366-T370 PolarHBondContact O-OG1 2.9Å
367T94.6Very high93.9Very high0 Ų035.1 Ų35.10%017%0.171CC..Hα-helixtrans-59-50.5170.1-73.70000110.2I27 V357 S358 H363 Y364 S369 T370 L371I27-T367 HydrophobicContact CD1-CG2 3.58Å; I27-T367 HydrophobicContact CG1-CG2 4.1Å; V357-T367 HydrophobicContact CB-CG2 4.12Å; V357-T367 HydrophobicContact CG1-CG2 4.2Å; S358-T367 PolarHBondContact O-OG1 2.76Å; H363-T367 WeakPolarHBondContact O-CB 3.41Å; H363-T367 PolarHBondContact O-N 2.77Å; H363-T367 PolarHBondContact O-OG1 3.44Å; Y364-T367 PolarHBondContact O-N 2.97Å; T367-S369 VanDerWaalsContact C-N 3.32Å; T367-S369 PolarHBondContact O-N 2.79Å; T367-T370 WeakPolarHBondContact O-CB 3.23Å; T367-T370 PolarHBondContact O-N 2.88Å; T367-L371 HydrophobicContact CG2-CD1 4.11Å; T367-L371 WeakPolarHBondContact O-CG 3.17Å; T367-L371 PolarHBondContact O-N 3.36Å
368L94.6Very high93.9Very high6 Ų636.2 Ų36.23%0.03118%0.179CC..Hα-helixtrans-61.4-41179.3176.564.4000112F51 Y364 L371 R372F51-L368 HydrophobicContact CE2-CD1 4Å; F51-L368 HydrophobicContact CZ-CD1 3.75Å; Y364-L368 HydrophobicContact CE1-CD2 4.09Å; Y364-L368 WeakPolarHBondContact O-CB 3.45Å; Y364-L368 PolarHBondContact O-N 2.62Å; L368-L371 PolarHBondContact O-N 3.19Å; L368-R372 HydrophobicContact CD1-CG 4.42Å; L368-R372 WeakPolarHBondContact O-CB 3.41Å; L368-R372 WeakPolarHBondContact O-CG 3.45Å; L368-R372 PolarHBondContact O-N 3.45Å
369S94.1Very high93.9Very high48 Ų4838.3 Ų38.334%0.33619%0.193SC..Hα-helixtrans-63.6-43.1176.2-64.90000111.7D365 E366 T367 R372 Y373D365-S369 VanDerWaalsContact O-CB 3.28Å; D365-S369 WeakPolarHBondContact O-CB 2.7Å; D365-S369 PolarHBondContact O-N 3.4Å; D365-S369 PolarHBondContact O-OG 3.43Å; E366-S369 PolarHBondContact O-N 3.16Å; T367-S369 VanDerWaalsContact C-N 3.32Å; T367-S369 PolarHBondContact O-N 2.79Å; S369-R372 PolarHBondContact O-N 3.02Å; S369-Y373 VanDerWaalsContact O-CB 3.28Å; S369-Y373 WeakPolarHBondContact O-CB 3.49Å; S369-Y373 PolarHBondContact O-N 2.91Å
370T96.8Very high94Very high1 Ų138.4 Ų38.41%0.00619%0.194CC..Hα-helixtrans-60.2-45.8175.5-630000111.8Y98 A355 V357 E366 T367 Y373 A374Y98-T370 HydrophobicContact CD1-CG2 4.08Å; Y98-T370 HydrophobicContact CE1-CG2 4.39Å; A355-T370 HydrophobicContact CB-CG2 4.06Å; V357-T370 HydrophobicContact CG1-CG2 3.83Å; E366-T370 WeakPolarHBondContact O-CB 3.49Å; E366-T370 PolarHBondContact O-N 3.21Å; E366-T370 PolarHBondContact O-OG1 2.9Å; T367-T370 WeakPolarHBondContact O-CB 3.23Å; T367-T370 PolarHBondContact O-N 2.88Å; T370-Y373 WeakPolarHBondContact O-CB 3.46Å; T370-Y373 PolarHBondContact O-N 3.32Å; T370-A374 WeakPolarHBondContact O-CB 3.27Å; T370-A374 PolarHBondContact O-N 3.29Å
371L97.8Very high94.1Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-69-40.7-179.7-64.3175.4000112.7V9 V35 V37 F51 F53 V357 T367 L368 Y373 A374 K375V9-L371 HydrophobicContact CG1-CD2 3.81Å; V9-L371 HydrophobicContact CG2-CD2 3.83Å; V35-L371 HydrophobicContact CG1-CD1 4.01Å; V37-L371 HydrophobicContact CG2-CD1 3.36Å; F51-L371 HydrophobicContact CD1-CB 4.13Å; F51-L371 HydrophobicContact CD2-CB 4.08Å; F51-L371 HydrophobicContact CD2-CD1 3.93Å; F51-L371 HydrophobicContact CE1-CB 4.1Å; F51-L371 HydrophobicContact CE2-CB 4.05Å; F51-L371 HydrophobicContact CE2-CD1 4.08Å; F51-L371 HydrophobicContact CG-CB 4.12Å; F51-L371 HydrophobicContact CZ-CB 4.07Å; F53-L371 HydrophobicContact CE2-CD2 3.82Å; F53-L371 HydrophobicContact CZ-CB 4.24Å; F53-L371 HydrophobicContact CZ-CD2 3.95Å; V357-L371 HydrophobicContact CG1-CD2 4.12Å; V357-L371 HydrophobicContact CG1-CG 4.39Å; T367-L371 HydrophobicContact CG2-CD1 4.11Å; T367-L371 WeakPolarHBondContact O-CG 3.17Å; T367-L371 PolarHBondContact O-N 3.36Å; L368-L371 PolarHBondContact O-N 3.19Å; L371-Y373 VanDerWaalsContact C-N 3.28Å; L371-Y373 PolarHBondContact O-N 3.07Å; L371-A374 PolarHBondContact O-N 2.76Å; L371-K375 WeakPolarHBondContact O-CB 3.34Å; L371-K375 PolarHBondContact O-N 3.19Å
372R96.2Very high94.3Very high121 Ų12139.7 Ų39.746%0.45720%0.201SC..Hα-helixtrans-61.6-39.5172.9-75.8168.5164.8175.5-13.9111.7F51 L368 S369 K375 K376F51-R372 HydrophobicContact CE1-CG 3.88Å; F51-R372 HydrophobicContact CZ-CG 3.94Å; L368-R372 HydrophobicContact CD1-CG 4.42Å; L368-R372 WeakPolarHBondContact O-CB 3.41Å; L368-R372 WeakPolarHBondContact O-CG 3.45Å; L368-R372 PolarHBondContact O-N 3.45Å; S369-R372 PolarHBondContact O-N 3.02Å; R372-K375 PolarHBondContact O-N 3Å; R372-K376 PolarHBondContact O-N 2.99Å
373Y95.7Very high94.4Very high19 Ų1937.5 Ų37.58%0.07519%0.19CC..Hα-helixtrans-65-48.3176.5-176.8-106.1000111.4Y98 L281 I285 M353 S369 T370 L371 K375 K376 A377Y98-Y373 AromaticContact CD1-CD1 3.68Å; Y98-Y373 HydrophobicContact CD1-CD1 3.68Å; Y98-Y373 HydrophobicContact CD1-CE1 4.08Å; Y98-Y373 HydrophobicContact CD2-CD1 4.13Å; Y98-Y373 AromaticContact CD2-CE1 3.67Å; Y98-Y373 HydrophobicContact CD2-CE1 3.67Å; Y98-Y373 AromaticContact CE1-CD1 3.43Å; Y98-Y373 HydrophobicContact CE1-CD1 3.43Å; Y98-Y373 VanDerWaalsContact CE1-CD1 3.43Å; Y98-Y373 AromaticContact CE1-CE1 3.98Å; Y98-Y373 HydrophobicContact CE1-CE1 3.98Å; Y98-Y373 HydrophobicContact CE1-CG 4.04Å; Y98-Y373 AromaticContact CE2-CD1 3.88Å; Y98-Y373 HydrophobicContact CE2-CD1 3.88Å; Y98-Y373 AromaticContact CE2-CE1 3.53Å; Y98-Y373 HydrophobicContact CE2-CE1 3.53Å; Y98-Y373 HydrophobicContact CG-CD1 4.03Å; Y98-Y373 AromaticContact CG-CE1 3.95Å; Y98-Y373 HydrophobicContact CG-CE1 3.95Å; Y98-Y373 AromaticContact CZ-CD1 3.53Å; Y98-Y373 AromaticContact CZ-CE1 3.68Å; L281-Y373 WeakPolarHBondContact CD2-OH 3.42Å; L281-Y373 WeakPolarHBondContact CG-OH 3.45Å; L281-Y373 PolarHBondContact O-OH 3.23Å; I285-Y373 HydrophobicContact CB-CE2 3.87Å; I285-Y373 HydrophobicContact CD1-CE1 3.87Å; I285-Y373 HydrophobicContact CD1-CE2 3.97Å; I285-Y373 WeakPolarHBondContact CD1-OH 3.37Å; I285-Y373 HydrophobicContact CG1-CE2 4.13Å; I285-Y373 WeakPolarHBondContact CG1-OH 3.36Å; I285-Y373 HydrophobicContact CG2-CD2 4.47Å; I285-Y373 HydrophobicContact CG2-CE2 3.98Å; M353-Y373 HydrophobicContact CE-CD1 3.51Å; M353-Y373 HydrophobicContact CE-CE1 3.85Å; M353-Y373 HydrophobicContact SD-CD1 4.47Å; M353-Y373 HydrophobicContact SD-CE1 4.49Å; S369-Y373 VanDerWaalsContact O-CB 3.28Å; S369-Y373 WeakPolarHBondContact O-CB 3.49Å; S369-Y373 PolarHBondContact O-N 2.91Å; T370-Y373 WeakPolarHBondContact O-CB 3.46Å; T370-Y373 PolarHBondContact O-N 3.32Å; L371-Y373 VanDerWaalsContact C-N 3.28Å; L371-Y373 PolarHBondContact O-N 3.07Å; Y373-K375 VanDerWaalsContact C-N 3.27Å; Y373-K375 PolarHBondContact O-N 3.29Å; Y373-K376 WeakPolarHBondContact O-CB 3.35Å; Y373-K376 PolarHBondContact O-N 3.35Å; Y373-K376 VanDerWaalsContact O-N 3.09Å; Y373-A377 PolarHBondContact O-N 3.11Å
374A97.5Very high94.5Very high0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-57.9-39.3175.100000111.9V7 F53 M353 A355 T370 L371 K376 A377 S378V7-A374 HydrophobicContact CG1-CB 3.76Å; F53-A374 HydrophobicContact CE1-CB 3.68Å; F53-A374 HydrophobicContact CZ-CB 4.16Å; M353-A374 HydrophobicContact CE-CB 3.79Å; M353-A374 HydrophobicContact SD-CB 4.15Å; A355-A374 HydrophobicContact CB-CB 3.93Å; T370-A374 WeakPolarHBondContact O-CB 3.27Å; T370-A374 PolarHBondContact O-N 3.29Å; L371-A374 PolarHBondContact O-N 2.76Å; A374-K376 VanDerWaalsContact C-N 3.32Å; A374-K376 PolarHBondContact O-N 3.08Å; A374-A377 WeakPolarHBondContact O-CB 3.5Å; A374-A377 PolarHBondContact O-N 3.1Å; A374-A377 VanDerWaalsContact O-N 3.16Å; A374-S378 PolarHBondContact O-N 3.34Å
375K96.4Very high94.5Very high89 Ų8939.3 Ų39.339%0.38720%0.2SC..Hα-helixtrans-67.1-30.4177.4-171.454.6170.5-179.60113.4F51 Q52 F53 L371 R372 Y373 S378F51-K375 HydrophobicContact CD1-CB 4.27Å; Q52-K375 PolarHBondContact O-NZ 3.28Å; F53-K375 HydrophobicContact CE1-CB 4.29Å; L371-K375 WeakPolarHBondContact O-CB 3.34Å; L371-K375 PolarHBondContact O-N 3.19Å; R372-K375 PolarHBondContact O-N 3Å; Y373-K375 VanDerWaalsContact C-N 3.27Å; Y373-K375 PolarHBondContact O-N 3.29Å; K375-S378 PolarHBondContact O-OG 2.76Å
376K95.3Very high94.7Very high91 Ų9136.2 Ų36.240%0.39619%0.185SC..Hα-helixtrans-73.8-39.3170.7-69175.9176-176.10111.3I285 T286 S289 R372 Y373 A374 S378 S379I285-K376 HydrophobicContact CG2-CB 3.8Å; T286-K376 PolarHBondContact OG1-NZ 3.47Å; S289-K376 WeakPolarHBondContact CB-O 3.2Å; R372-K376 PolarHBondContact O-N 2.99Å; Y373-K376 WeakPolarHBondContact O-CB 3.35Å; Y373-K376 PolarHBondContact O-N 3.35Å; Y373-K376 VanDerWaalsContact O-N 3.09Å; A374-K376 VanDerWaalsContact C-N 3.32Å; A374-K376 PolarHBondContact O-N 3.08Å; K376-S378 VanDerWaalsContact C-N 3.31Å; K376-S378 PolarHBondContact O-N 3.48Å; K376-S379 PolarHBondContact O-N 2.98Å; K376-S379 PolarHBondContact O-OG 2.84Å
377A96Very high94.7Very high0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-62.3-38.9178.200000111.8V7 I285 M353 Y373 A374 S379 I380V7-A377 HydrophobicContact CG2-CB 4.46Å; I285-A377 HydrophobicContact CD1-CB 3.74Å; I285-A377 HydrophobicContact CG2-CB 4.26Å; M353-A377 HydrophobicContact SD-CB 3.51Å; M353-A377 VanDerWaalsContact SD-CB 3.51Å; Y373-A377 PolarHBondContact O-N 3.11Å; A374-A377 WeakPolarHBondContact O-CB 3.5Å; A374-A377 PolarHBondContact O-N 3.1Å; A374-A377 VanDerWaalsContact O-N 3.16Å; A377-S379 PolarHBondContact O-N 3.03Å; A377-S379 VanDerWaalsContact O-N 3.08Å; A377-I380 WeakPolarHBondContact O-CB 3.49Å; A377-I380 WeakPolarHBondContact O-CG1 3.33Å; A377-I380 PolarHBondContact O-N 3.27Å
378S95.1Very high94.5Very high24 Ų2438 Ų3817%0.16820%0.195CC..THydrogen-bonded Turntrans-61.8-19.2179.977.10000113.9A374 K375 K376A374-S378 PolarHBondContact O-N 3.34Å; K375-S378 PolarHBondContact O-OG 2.76Å; K376-S378 VanDerWaalsContact C-N 3.31Å; K376-S378 PolarHBondContact O-N 3.48Å
379S93.5Very high94.2Very high44 Ų4439.1 Ų39.131%0.30820%0.201SC..THydrogen-bonded Turntrans-84.7-16.2175.372.10000112.8S289 I292 K376 A377 I381S289-S379 VanDerWaalsContact CA-OG 3.32Å; S289-S379 WeakPolarHBondContact CA-OG 3.45Å; S289-S379 WeakPolarHBondContact CB-OG 3.48Å; I292-S379 WeakPolarHBondContact CD1-O 3.43Å; K376-S379 PolarHBondContact O-N 2.98Å; K376-S379 PolarHBondContact O-OG 2.84Å; A377-S379 PolarHBondContact O-N 3.03Å; A377-S379 VanDerWaalsContact O-N 3.08Å; S379-I381 PolarHBondContact O-N 3.01Å
380I93.7Very high93.9Very high1 Ų141.3 Ų41.31%0.00521%0.214CC..  trans-63.4132.1179.8-58.5175.9000109.7S4 V5 I285 L288 L345 A377S4-I380 CarbonylContact C-O 3.5Å; S4-I380 WeakPolarHBondContact CA-O 3.49Å; V5-I380 HydrophobicContact CG2-CB 3.81Å; V5-I380 HydrophobicContact CG2-CG2 3.96Å; V5-I380 PolarHBondContact N-O 2.95Å; I285-I380 HydrophobicContact CB-CD1 4.15Å; I285-I380 HydrophobicContact CD1-CD1 4.05Å; I285-I380 HydrophobicContact CG1-CD1 3.84Å; I285-I380 HydrophobicContact CG2-CD1 4.08Å; L288-I380 HydrophobicContact CB-CD1 4.03Å; L288-I380 HydrophobicContact CB-CG1 3.8Å; L288-I380 HydrophobicContact CB-CG2 4.26Å; L288-I380 HydrophobicContact CD1-CD1 4.03Å; L288-I380 HydrophobicContact CD1-CG1 4.5Å; L288-I380 HydrophobicContact CD1-CG2 4.06Å; L345-I380 HydrophobicContact CD2-CD1 4.45Å; A377-I380 WeakPolarHBondContact O-CB 3.49Å; A377-I380 WeakPolarHBondContact O-CG1 3.33Å; A377-I380 PolarHBondContact O-N 3.27Å
381I92.6Very high93.4Very high67 Ų6744.3 Ų44.334%0.34423%0.227SC..EExtended strand (participates in β ladder)trans-105.6128.7176.2-63168.3000109E2 I292 S379E2-I381 HydrophobicContact CB-CG2 3.99Å; E2-I381 HydrophobicContact CG-CG2 4.48Å; I292-I381 HydrophobicContact CD1-CB 4.32Å; I292-I381 HydrophobicContact CD1-CD1 3.6Å; I292-I381 HydrophobicContact CD1-CG1 3.65Å; I292-I381 HydrophobicContact CG1-CD1 3.95Å; I292-I381 HydrophobicContact CG1-CG1 4.46Å; S379-I381 PolarHBondContact O-N 3.01Å
382N93.5Very high92.9Very high0 Ų044.3 Ų44.30%023%0.227CC..EExtended strand (participates in β ladder)trans-105.5151172.8-71.23.6000110.6E2 S3 S344 G346 A349 T351E2-N382 WeakPolarHBondContact CA-O 3.42Å; S3-N382 PolarHBondContact N-O 2.83Å; S3-N382 PolarHBondContact O-N 2.86Å; S344-N382 PolarHBondContact O-ND2 3.16Å; G346-N382 WeakPolarHBondContact CA-OD1 3.4Å; G346-N382 PolarHBondContact N-OD1 3.02Å; A349-N382 VanDerWaalsContact O-CB 3.24Å; A349-N382 WeakPolarHBondContact O-CB 3.43Å; A349-N382 PolarHBondContact O-ND2 2.92Å; T351-N382 WeakPolarHBondContact CB-ND2 3.44Å; T351-N382 PolarHBondContact OG1-ND2 3.05Å
383S92.3Very high92.6Very high50 Ų5044.5 Ų44.535%0.3523%0.228SC..EExtended strand (participates in β ladder)trans-11173.1178.2-60.10000109.7M1 G347M1-S383 CarbonylContact O-C 3.55Å; M1-S383 WeakPolarHBondContact O-CA 3.33Å; G347-S383 PolarHBondContact O-N 2.7Å
384A93.2Very high92.2Very high1 Ų147 Ų471%0.00824%0.242CC..  trans-69.5131.3179.800000111.4M1 Y91 N348 V350M1-A384 PolarHBondContact N-O 3.1Å; M1-A384 PolarHBondContact O-N 2.9Å; Y91-A384 HydrophobicContact CD1-CB 4.07Å; N348-A384 WeakPolarHBondContact OD1-CA 3.33Å; V350-A384 HydrophobicContact CG2-CB 3.73Å
385M92.6Very high91.6Very high111 Ų11147.2 Ų47.255%0.54724%0.243SC..  trans-133151.4178.3-63.7-173.4-6800109.6Y91 N348 N387Y91-M385 VanDerWaalsContact CD1-C 3.48Å; N348-M385 PolarHBondContact OD1-N 2.7Å; N348-M385 PolarHBondContact OD1-O 2.69Å; M385-N387 PolarHBondContact O-N 2.68Å
386V94.3Very high91.1Very high47 Ų4747.3 Ų47.329%0.28524%0.241SC..BIsolated β-bridgetrans-70.7121.2173.6177.20000107.9G90 Y91 Y243 E388G90-V386 WeakPolarHBondContact O-CA 3.14Å; Y91-V386 HydrophobicContact CD1-CG2 4.25Å; Y91-V386 HydrophobicContact CD2-CG2 4.25Å; Y91-V386 HydrophobicContact CE1-CG2 3.7Å; Y91-V386 HydrophobicContact CE2-CG2 3.69Å; Y243-V386 HydrophobicContact CD1-CG1 3.63Å; Y243-V386 HydrophobicContact CE1-CG1 3.99Å; V386-E388 PolarHBondContact O-N 3.18Å
387N92.6Very high90.8Very high38 Ų3847.1 Ų47.120%0.20324%0.241CC..  trans-85101.3175.2-32.2-73.1000109G90 N92 Y243 S244 N348 M385G90-N387 PolarHBondContact O-N 3.37Å; G90-N387 PolarHBondContact O-ND2 2.68Å; N92-N387 VanDerWaalsContact CG-ND2 3.34Å; N92-N387 PolarHBondContact ND2-ND2 2.71Å; N92-N387 PolarHBondContact OD1-ND2 2.83Å; Y243-N387 CarbonylContact C-O 3.55Å; Y243-N387 VanDerWaalsContact CA-O 3.26Å; Y243-N387 WeakPolarHBondContact CA-O 3.49Å; S244-N387 PolarHBondContact N-O 3.36Å; S244-N387 WeakPolarHBondContact O-CB 3.38Å; S244-N387 PolarHBondContact O-ND2 3.27Å; N348-N387 PolarHBondContact ND2-OD1 3.45Å; M385-N387 PolarHBondContact O-N 2.68Å
388E91.4Very high90.2Very high40 Ų4048.1 Ų48.119%0.18725%0.247CC..BIsolated β-bridgetrans-116.6158.8171.460.7-179.9158.900110.8M242 Y243 V386 P390 R393 R396M242-E388 CarbonylContact O-C 3.54Å; M242-E388 VanDerWaalsContact O-CA 3.24Å; M242-E388 WeakPolarHBondContact O-CA 3.34Å; Y243-E388 HydrophobicContact CD1-CB 3.61Å; Y243-E388 HydrophobicContact CE1-CB 3.68Å; V386-E388 PolarHBondContact O-N 3.18Å; E388-P390 WeakPolarHBondContact O-CD 3.05Å; E388-R393 HydrophobicContact CG-CB 4.1Å; E388-R393 WeakPolarHBondContact OE1-CD 3.48Å; E388-R393 WeakPolarHBondContact OE1-CG 3.5Å; E388-R396 IonicContact OE1-NH2 2.63Å; E388-R396 PolarHBondContact OE1-NH2 3.39Å; E388-R396 IonicContact OE2-CZ 2.83Å; E388-R396 IonicContact OE2-NE 3.79Å; E388-R396 IonicContact OE2-NH2 3.35Å; E388-R396 PolarHBondContact OE2-NH2 2.85Å
389D88.7Confident89.7Confident30 Ų3047.2 Ų47.216%0.1624%0.24CC..  trans-60.7124.9176.6176.1-83.4000110.5M242 K391 S392 R393 L445M242-D389 HydrophobicContact CB-CB 4.25Å; M242-D389 PolarHBondContact O-N 3.03Å; D389-K391 PolarHBondContact O-N 2.89Å; D389-K391 WeakPolarHBondContact OD1-CA 3.25Å; D389-K391 VanDerWaalsContact OD1-CB 3.24Å; D389-K391 WeakPolarHBondContact OD1-CB 3.28Å; D389-K391 PolarHBondContact OD1-N 3.02Å; D389-S392 WeakPolarHBondContact O-CB 3.46Å; D389-S392 PolarHBondContact O-N 2.91Å; D389-S392 PolarHBondContact OD1-N 3.33Å; D389-S392 PolarHBondContact OD1-OG 3.26Å; D389-R393 PolarHBondContact O-N 2.84Å; D389-L445 WeakPolarHBondContact OD1-CD2 3.48Å
390P87.5Confident89.3Confident94 Ų9448.1 Ų48.161%0.6125%0.247SC*.Hα-helixtrans-59.8-31.9-176-26.634.2000114E388 L394E388-P390 WeakPolarHBondContact O-CD 3.05Å; P390-L394 VanDerWaalsContact O-CB 3.31Å; P390-L394 WeakPolarHBondContact O-CB 3.4Å; P390-L394 PolarHBondContact O-N 3.41Å
391K86.1Confident88.9Confident63 Ų6351.4 Ų51.427%0.27426%0.262SS..Hα-helixtrans-72-40.8177.6-56.1176.9-178.1174.10110D389 L394 I395 L441 L445D389-K391 PolarHBondContact O-N 2.89Å; D389-K391 WeakPolarHBondContact OD1-CA 3.25Å; D389-K391 VanDerWaalsContact OD1-CB 3.24Å; D389-K391 WeakPolarHBondContact OD1-CB 3.28Å; D389-K391 PolarHBondContact OD1-N 3.02Å; K391-L394 PolarHBondContact O-N 3.37Å; K391-I395 VanDerWaalsContact O-CG1 3.23Å; K391-I395 WeakPolarHBondContact O-CG1 3.24Å; K391-I395 PolarHBondContact O-N 2.79Å; K391-L441 HydrophobicContact CB-CD2 4.09Å; K391-L441 HydrophobicContact CG-CD2 4.16Å; K391-L445 HydrophobicContact CB-CD1 4.26Å; K391-L445 HydrophobicContact CB-CD2 4.14Å; K391-L445 HydrophobicContact CB-CG 4.19Å; K391-L445 HydrophobicContact CD-CD2 4.22Å; K391-L445 HydrophobicContact CD-CG 4.42Å
392S86.8Confident88.4Confident1 Ų148.2 Ų48.21%0.00725%0.246CC..Hα-helixtrans-63.7-42.6177.4-53.40000111.4D240 D389 I395 R396 L445D240-S392 PolarHBondContact O-OG 2.89Å; D389-S392 WeakPolarHBondContact O-CB 3.46Å; D389-S392 PolarHBondContact O-N 2.91Å; D389-S392 PolarHBondContact OD1-N 3.33Å; D389-S392 PolarHBondContact OD1-OG 3.26Å; S392-I395 PolarHBondContact O-N 3.16Å; S392-R396 PolarHBondContact O-N 3.48Å; S392-R396 VanDerWaalsContact O-N 3.07Å; S392-L445 WeakPolarHBondContact OG-CD1 3.36Å
393R89.2Confident88Confident125 Ų12557.1 Ų57.147%0.47228%0.279SS..Hα-helixtrans-59.8-50.6171.7-178.9178.9166.2174.8-2.1111.9E388 D389 I395 R396 E397E388-R393 HydrophobicContact CG-CB 4.1Å; E388-R393 WeakPolarHBondContact OE1-CD 3.48Å; E388-R393 WeakPolarHBondContact OE1-CG 3.5Å; D389-R393 PolarHBondContact O-N 2.84Å; R393-I395 VanDerWaalsContact C-N 3.31Å; R393-I395 PolarHBondContact O-N 2.97Å; R393-R396 PolarHBondContact O-N 2.8Å; R393-R396 VanDerWaalsContact O-N 3.11Å; R393-E397 IonicContact CZ-OE1 4Å; R393-E397 IonicContact NE-OE1 3.63Å; R393-E397 PolarHBondContact NE-OE1 3.33Å; R393-E397 IonicContact NH2-OE1 3.29Å; R393-E397 PolarHBondContact NH2-OE1 2.91Å; R393-E397 PolarHBondContact O-N 2.82Å
394L87.9Confident87.8Confident72 Ų7258.9 Ų58.938%0.37728%0.284SS..Hα-helixtrans-59.8-41.5178.917960.8000111.8P390 K391 R396 E397 L398 L441P390-L394 VanDerWaalsContact O-CB 3.31Å; P390-L394 WeakPolarHBondContact O-CB 3.4Å; P390-L394 PolarHBondContact O-N 3.41Å; K391-L394 PolarHBondContact O-N 3.37Å; L394-R396 PolarHBondContact O-N 3.22Å; L394-E397 PolarHBondContact O-N 3.08Å; L394-L398 HydrophobicContact CD1-CD1 4.07Å; L394-L398 HydrophobicContact CD1-CD2 4.48Å; L394-L398 HydrophobicContact CD1-CG 3.97Å; L394-L398 HydrophobicContact CG-CD1 3.89Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.28Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.47Å; L394-L398 PolarHBondContact O-N 2.91Å; L394-L441 HydrophobicContact CD2-CD1 3.75Å; L394-L441 HydrophobicContact CD2-CD2 4.14Å; L394-L441 HydrophobicContact CG-CD1 4.02Å
395I85.9Confident87.1Confident3 Ų359.6 Ų59.62%0.01529%0.287CS..Hα-helixtrans-59.1-46.8174.6-70165.7000110.3I239 K391 S392 R393 E397 L398 M399 V438 L441 R442 L445I239-I395 HydrophobicContact CD1-CG2 3.75Å; I239-I395 HydrophobicContact CG1-CG2 3.84Å; I239-I395 HydrophobicContact CG2-CG2 4.27Å; K391-I395 VanDerWaalsContact O-CG1 3.23Å; K391-I395 WeakPolarHBondContact O-CG1 3.24Å; K391-I395 PolarHBondContact O-N 2.79Å; S392-I395 PolarHBondContact O-N 3.16Å; R393-I395 VanDerWaalsContact C-N 3.31Å; R393-I395 PolarHBondContact O-N 2.97Å; I395-E397 VanDerWaalsContact C-N 3.34Å; I395-E397 PolarHBondContact O-N 3.11Å; I395-L398 PolarHBondContact O-N 3.26Å; I395-M399 HydrophobicContact CG2-CG 3.98Å; I395-M399 WeakPolarHBondContact O-CB 3.3Å; I395-M399 WeakPolarHBondContact O-CG 3.37Å; I395-M399 PolarHBondContact O-N 2.86Å; I395-V438 HydrophobicContact CG2-CG1 3.96Å; I395-L441 HydrophobicContact CD1-CB 3.69Å; I395-L441 HydrophobicContact CG1-CB 3.57Å; I395-L441 HydrophobicContact CG1-CD1 4.1Å; I395-L441 HydrophobicContact CG1-CG 4.42Å; I395-R442 HydrophobicContact CD1-CB 4.44Å; I395-L445 HydrophobicContact CD1-CD1 3.58Å
396R85.8Confident86.7Confident91 Ų9158.9 Ų58.934%0.34328%0.279SS..Hα-helixtrans-60.5-42.7177.6-77.2-171.2-59.6124.614.4112.3I239 N241 E388 S392 R393 L394 M399 S400I239-R396 HydrophobicContact CD1-CG 4.44Å; N241-R396 WeakPolarHBondContact OD1-CD 3.45Å; N241-R396 PolarHBondContact OD1-NE 2.81Å; E388-R396 IonicContact OE1-NH2 2.63Å; E388-R396 PolarHBondContact OE1-NH2 3.39Å; E388-R396 IonicContact OE2-CZ 2.83Å; E388-R396 IonicContact OE2-NE 3.79Å; E388-R396 IonicContact OE2-NH2 3.35Å; E388-R396 PolarHBondContact OE2-NH2 2.85Å; S392-R396 PolarHBondContact O-N 3.48Å; S392-R396 VanDerWaalsContact O-N 3.07Å; R393-R396 PolarHBondContact O-N 2.8Å; R393-R396 VanDerWaalsContact O-N 3.11Å; L394-R396 PolarHBondContact O-N 3.22Å; R396-M399 PolarHBondContact O-N 2.94Å; R396-S400 WeakPolarHBondContact O-CB 3.38Å; R396-S400 PolarHBondContact O-N 2.84Å
397E87.5Confident86.3Confident87 Ų8762.6 Ų62.641%0.40729%0.293SS..Hα-helixtrans-62.7-51.7177.5-70.7175.5-171.700111R393 L394 I395 M399 S400 E401R393-E397 IonicContact CZ-OE1 4Å; R393-E397 IonicContact NE-OE1 3.63Å; R393-E397 PolarHBondContact NE-OE1 3.33Å; R393-E397 IonicContact NH2-OE1 3.29Å; R393-E397 PolarHBondContact NH2-OE1 2.91Å; R393-E397 PolarHBondContact O-N 2.82Å; L394-E397 PolarHBondContact O-N 3.08Å; I395-E397 VanDerWaalsContact C-N 3.34Å; I395-E397 PolarHBondContact O-N 3.11Å; E397-M399 VanDerWaalsContact C-N 3.29Å; E397-M399 PolarHBondContact O-N 2.79Å; E397-S400 PolarHBondContact O-N 3.18Å; E397-S400 VanDerWaalsContact O-N 3.11Å; E397-S400 PolarHBondContact O-OG 3.42Å; E397-E401 PolarHBondContact O-N 3.16Å
398L85Confident85.8Confident22 Ų2266.6 Ų66.612%0.11531%0.308CS..Hα-helixtrans-60.4-37.8177-68.1174000112.2L394 I395 E401 L402 V438 L441L394-L398 HydrophobicContact CD1-CD1 4.07Å; L394-L398 HydrophobicContact CD1-CD2 4.48Å; L394-L398 HydrophobicContact CD1-CG 3.97Å; L394-L398 HydrophobicContact CG-CD1 3.89Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.28Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.47Å; L394-L398 PolarHBondContact O-N 2.91Å; I395-L398 PolarHBondContact O-N 3.26Å; L398-E401 PolarHBondContact O-N 2.98Å; L398-L402 WeakPolarHBondContact O-CB 3.26Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 3.44Å; L398-V438 HydrophobicContact CB-CG2 3.75Å; L398-V438 HydrophobicContact CD1-CG2 4.2Å; L398-L441 HydrophobicContact CD1-CD1 3.84Å
399M83.3Confident85.2Confident4 Ų465.6 Ų65.62%0.0231%0.307CS..Hα-helixtrans-67.9-36176.7-72.9-70-70.500112.5H234 I235 L236 I239 I395 R396 E397 L402 R403 V438H234-M399 HydrophobicContact CB-CE 3.6Å; H234-M399 WeakPolarHBondContact ND1-CE 3.35Å; I235-M399 HydrophobicContact CG1-CE 4.01Å; L236-M399 HydrophobicContact CB-CE 3.81Å; L236-M399 HydrophobicContact CB-SD 4.02Å; L236-M399 HydrophobicContact CD1-CE 3.89Å; L236-M399 HydrophobicContact CD1-SD 3.44Å; L236-M399 WeakPolarHBondContact CD1-SD 3.5Å; L236-M399 HydrophobicContact CG-CE 4.23Å; L236-M399 HydrophobicContact CG-SD 4.28Å; I239-M399 HydrophobicContact CD1-CG 4.18Å; I395-M399 HydrophobicContact CG2-CG 3.98Å; I395-M399 WeakPolarHBondContact O-CB 3.3Å; I395-M399 WeakPolarHBondContact O-CG 3.37Å; I395-M399 PolarHBondContact O-N 2.86Å; R396-M399 PolarHBondContact O-N 2.94Å; E397-M399 VanDerWaalsContact C-N 3.29Å; E397-M399 PolarHBondContact O-N 2.79Å; M399-L402 HydrophobicContact SD-CD1 4.04Å; M399-R403 PolarHBondContact O-N 2.94Å; M399-R403 VanDerWaalsContact O-N 3.11Å; M399-V438 HydrophobicContact CG-CG1 4.18Å; M399-V438 HydrophobicContact CG-CG2 4.17Å; M399-V438 HydrophobicContact SD-CB 4.45Å; M399-V438 HydrophobicContact SD-CG1 3.79Å; M399-V438 HydrophobicContact SD-CG2 4.1Å
400S84.9Confident84.7Confident64 Ų6468.5 Ų68.545%0.44833%0.33SS..Hα-helixtrans-67.6-39.5173.677.20000111.6R396 E397 R403 I404R396-S400 WeakPolarHBondContact O-CB 3.38Å; R396-S400 PolarHBondContact O-N 2.84Å; E397-S400 PolarHBondContact O-N 3.18Å; E397-S400 VanDerWaalsContact O-N 3.11Å; E397-S400 PolarHBondContact O-OG 3.42Å; S400-R403 WeakPolarHBondContact O-CB 3.4Å; S400-R403 PolarHBondContact O-N 3.37Å; S400-I404 WeakPolarHBondContact O-CG1 3.45Å; S400-I404 PolarHBondContact O-N 3.2Å
401E85.2Confident84.3Confident69 Ų6968.1 Ų68.132%0.32233%0.329SS..Hα-helixtrans-64.8-45.7174.8-169.2-175.3168.800110.7E397 L398 R403 I404 L405E397-E401 PolarHBondContact O-N 3.16Å; L398-E401 PolarHBondContact O-N 2.98Å; E401-R403 PolarHBondContact O-N 3.21Å; E401-I404 PolarHBondContact O-N 3.09Å; E401-L405 HydrophobicContact CG-CD1 4.03Å; E401-L405 HydrophobicContact CG-CG 4.24Å; E401-L405 WeakPolarHBondContact O-CG 3.22Å; E401-L405 PolarHBondContact O-N 3.47Å
402L83.2Confident83.5Confident1 Ų167 Ų671%0.00533%0.326CS..Hα-helixtrans-55.3-39.4174.3-80.5174.5000112.3L236 L398 M399 L405 R406 I431 R434 E435 V438L236-L402 HydrophobicContact CD1-CD1 3.64Å; L398-L402 WeakPolarHBondContact O-CB 3.26Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 3.44Å; M399-L402 HydrophobicContact SD-CD1 4.04Å; L402-L405 PolarHBondContact O-N 3.29Å; L402-R406 VanDerWaalsContact O-CB 3.28Å; L402-R406 WeakPolarHBondContact O-CB 3.37Å; L402-R406 WeakPolarHBondContact O-CG 3.43Å; L402-R406 PolarHBondContact O-N 2.98Å; L402-I431 HydrophobicContact CD2-CB 4.35Å; L402-I431 HydrophobicContact CD2-CG1 4.49Å; L402-I431 HydrophobicContact CD2-CG2 3.97Å; L402-R434 HydrophobicContact CD2-CB 3.66Å; L402-R434 HydrophobicContact CG-CB 4.13Å; L402-E435 HydrophobicContact CD1-CG 3.75Å; L402-E435 HydrophobicContact CD2-CG 3.86Å; L402-E435 HydrophobicContact CG-CG 4.49Å; L402-V438 HydrophobicContact CD1-CG2 4.2Å
403R84.5Confident82.2Confident187 Ų18774.8 Ų74.871%0.70636%0.364SS*.Hα-helixtrans-61.4-45175.2-172.8-179.9-178.3140.11.5111.5M399 S400 E401 Q407M399-R403 PolarHBondContact O-N 2.94Å; M399-R403 VanDerWaalsContact O-N 3.11Å; S400-R403 WeakPolarHBondContact O-CB 3.4Å; S400-R403 PolarHBondContact O-N 3.37Å; E401-R403 PolarHBondContact O-N 3.21Å; R403-Q407 PolarHBondContact O-N 2.94Å; R403-Q407 VanDerWaalsContact O-N 3.09Å
404I87.2Confident80.8Confident87 Ų8776 Ų7645%0.44637%0.373SS..Hα-helixtrans-67.9-44.7179-63.6167.7000110.9S400 E401 Q407 K408S400-I404 WeakPolarHBondContact O-CG1 3.45Å; S400-I404 PolarHBondContact O-N 3.2Å; E401-I404 PolarHBondContact O-N 3.09Å; I404-Q407 WeakPolarHBondContact O-CB 3.32Å; I404-Q407 PolarHBondContact O-N 3.43Å; I404-K408 HydrophobicContact CG2-CD 4.38Å; I404-K408 WeakPolarHBondContact O-CG 3.24Å; I404-K408 PolarHBondContact O-N 2.98Å
405L80.4Confident79.2Confident16 Ų1679 Ų798%0.08439%0.385CS..Hα-helixtrans-63.7-42.2179.6-65.7173.9000111.3E401 L402 Q407 K408 A409 L427 L430 I431E401-L405 HydrophobicContact CG-CD1 4.03Å; E401-L405 HydrophobicContact CG-CG 4.24Å; E401-L405 WeakPolarHBondContact O-CG 3.22Å; E401-L405 PolarHBondContact O-N 3.47Å; L402-L405 PolarHBondContact O-N 3.29Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 2.89Å; L405-K408 PolarHBondContact O-N 3.22Å; L405-A409 WeakPolarHBondContact O-CB 3.4Å; L405-A409 PolarHBondContact O-N 3.36Å; L405-L427 HydrophobicContact CB-CD1 4.19Å; L405-L427 HydrophobicContact CD2-CD1 3.58Å; L405-L427 HydrophobicContact CG-CD1 4.39Å; L405-L430 HydrophobicContact CD1-CD2 4.14Å; L405-L430 HydrophobicContact CD1-CG 4.29Å; L405-L430 HydrophobicContact CD2-CD2 4.4Å; L405-I431 HydrophobicContact CB-CD1 4.05Å; L405-I431 HydrophobicContact CB-CG1 3.75Å; L405-I431 HydrophobicContact CD1-CG1 4.38Å
406R84Confident77.8Confident96 Ų9684.7 Ų84.736%0.36243%0.425SS..Hα-helixtrans-61.8-39.5173.9-74.9174.1170.9-1514111.8L402 A409 S410 I431 E435L402-R406 VanDerWaalsContact O-CB 3.28Å; L402-R406 WeakPolarHBondContact O-CB 3.37Å; L402-R406 WeakPolarHBondContact O-CG 3.43Å; L402-R406 PolarHBondContact O-N 2.98Å; R406-A409 PolarHBondContact O-N 3.36Å; R406-S410 WeakPolarHBondContact O-CB 3.5Å; R406-S410 PolarHBondContact O-N 3.5Å; R406-S410 PolarHBondContact O-OG 2.96Å; R406-I431 HydrophobicContact CG-CD1 4.05Å; R406-I431 HydrophobicContact CG-CG2 4.36Å; R406-E435 IonicContact CZ-OE1 3.18Å; R406-E435 VanDerWaalsContact CZ-OE1 3.29Å; R406-E435 IonicContact NE-OE1 2.74Å; R406-E435 PolarHBondContact NE-OE1 3.33Å; R406-E435 IonicContact NH2-OE1 2.68Å; R406-E435 PolarHBondContact NH2-OE1 3.38Å; R406-E435 IonicContact NH2-OE2 3.93Å
407Q84.7Confident76.6Confident125 Ų12584.3 Ų84.358%0.58445%0.449SS*.Hα-helixtrans-63.6-48.1174.7-173.9179.2600111.5R403 I404 L405 A409 S410 S411R403-Q407 PolarHBondContact O-N 2.94Å; R403-Q407 VanDerWaalsContact O-N 3.09Å; I404-Q407 WeakPolarHBondContact O-CB 3.32Å; I404-Q407 PolarHBondContact O-N 3.43Å; L405-Q407 VanDerWaalsContact C-N 3.32Å; L405-Q407 PolarHBondContact O-N 2.89Å; Q407-A409 VanDerWaalsContact C-N 3.33Å; Q407-A409 PolarHBondContact O-N 3.32Å; Q407-S410 WeakPolarHBondContact CA-OG 3.45Å; Q407-S410 PolarHBondContact O-N 2.95Å; Q407-S410 VanDerWaalsContact O-N 3.11Å; Q407-S410 PolarHBondContact O-OG 3.24Å; Q407-S411 PolarHBondContact O-N 3.05Å; Q407-S411 PolarHBondContact O-OG 3.46Å
408K82.1Confident75.7Confident122 Ų12282.3 Ų82.353%0.5344%0.443SS..Hα-helixtrans-58.7-44.2175.8-71.7179.7178.3-1770111.9I404 L405 S410 S411 I412 L427I404-K408 HydrophobicContact CG2-CD 4.38Å; I404-K408 WeakPolarHBondContact O-CG 3.24Å; I404-K408 PolarHBondContact O-N 2.98Å; L405-K408 PolarHBondContact O-N 3.22Å; K408-S410 PolarHBondContact O-N 3.39Å; K408-S411 PolarHBondContact O-N 3.37Å; K408-S411 VanDerWaalsContact O-N 3.15Å; K408-I412 WeakPolarHBondContact O-CG1 3.36Å; K408-I412 PolarHBondContact O-N 3.2Å; K408-L427 HydrophobicContact CB-CD2 3.99Å
409A79.2Confident74.9Confident18 Ų1886.3 Ų86.315%0.14947%0.471CS..Hα-helixtrans-61.9-33.9177.100000112.3L405 R406 Q407 L427 I431L405-A409 WeakPolarHBondContact O-CB 3.4Å; L405-A409 PolarHBondContact O-N 3.36Å; R406-A409 PolarHBondContact O-N 3.36Å; Q407-A409 VanDerWaalsContact C-N 3.33Å; Q407-A409 PolarHBondContact O-N 3.32Å; A409-L427 HydrophobicContact CB-CD2 3.66Å; A409-L427 HydrophobicContact CB-CG 4.14Å; A409-I431 HydrophobicContact CB-CD1 4.15Å
410S78.7Confident74.2Confident92 Ų9290.8 Ų90.864%0.64349%0.493SS*.Hα-helixtrans-76.7-25.8175.7710000114.1R406 Q407 K408R406-S410 WeakPolarHBondContact O-CB 3.5Å; R406-S410 PolarHBondContact O-N 3.5Å; R406-S410 PolarHBondContact O-OG 2.96Å; Q407-S410 WeakPolarHBondContact CA-OG 3.45Å; Q407-S410 PolarHBondContact O-N 2.95Å; Q407-S410 VanDerWaalsContact O-N 3.11Å; Q407-S410 PolarHBondContact O-OG 3.24Å; K408-S410 PolarHBondContact O-N 3.39Å
411S77.4Confident73.5Confident85 Ų8589.3 Ų89.359%0.59448%0.484SS*.Hα-helixtrans-79.7-20.4178.6-60.70000113.4Q407 K408 M413Q407-S411 PolarHBondContact O-N 3.05Å; Q407-S411 PolarHBondContact O-OG 3.46Å; K408-S411 PolarHBondContact O-N 3.37Å; K408-S411 VanDerWaalsContact O-N 3.15Å; S411-M413 PolarHBondContact O-N 3.25Å; S411-M413 VanDerWaalsContact O-N 3.11Å
412I70.1Confident73.1Confident41 Ų4193.9 Ų93.921%0.2150%0.5CS..SBendtrans-72.4105.2175.9-64.5164.2000108.1K408 Q420 A424 L427K408-I412 WeakPolarHBondContact O-CG1 3.36Å; K408-I412 PolarHBondContact O-N 3.2Å; I412-Q420 HydrophobicContact CG2-CB 4.42Å; I412-A424 HydrophobicContact CD1-CB 4.41Å; I412-A424 HydrophobicContact CG2-CB 4.17Å; I412-L427 HydrophobicContact CD1-CD2 4.17Å
413M59.9Low72.7Confident163 Ų16399.5 Ų99.580%0.80353%0.526SS*.  trans-65.5139.8170.2-74.8-72.4-156.400109.8S411S411-M413 PolarHBondContact O-N 3.25Å; S411-M413 VanDerWaalsContact O-N 3.11Å
414F59.6Low72.2Confident151 Ų15190.7 Ų90.766%0.66249%0.493SS*.  trans-89.1120.8-171.5-66.6-93.5000112
415E54.5Low71.9Confident135 Ų13588.6 Ų88.663%0.63149%0.488SS*.  trans-120.1116.1148.3-86-176.1165.200108.7G417 T418E415-G417 PolarHBondContact O-N 3.02Å; E415-T418 HydrophobicContact CB-CG2 3.56Å; E415-T418 PolarHBondContact O-N 2.68Å; E415-T418 PolarHBondContact O-OG1 3.11Å
416S55.3Low72.1Confident122 Ų12294 Ų9485%0.85351%0.511SS*.THydrogen-bonded Turntrans-62.6133.2179.1-63.60000110.4
417G61Low71.9Confident83 Ų8390.7 Ų90.786%0.85650%0.501SS*.THydrogen-bonded Turntrans88.60.2178.900000115.8E415E415-G417 PolarHBondContact O-N 3.02Å
418T68.1Low71.8Confident45 Ų4590.3 Ų90.328%0.27649%0.494SS..SBendtrans-90.4163.6176.363.90000112.5E415 Q420 A421E415-T418 HydrophobicContact CB-CG2 3.56Å; E415-T418 PolarHBondContact O-N 2.68Å; E415-T418 PolarHBondContact O-OG1 3.11Å; T418-Q420 PolarHBondContact O-N 2.75Å; T418-Q420 VanDerWaalsContact O-N 3.11Å; T418-Q420 PolarHBondContact OG1-N 3.38Å; T418-A421 WeakPolarHBondContact O-CB 3.46Å; T418-A421 PolarHBondContact O-N 2.89Å
419C68.9Low72Confident106 Ų10690.5 Ų90.572%0.71650%0.497SS*.Hα-helixtrans-51.9-31.7170.3-77.90000112.7A421 Y422 E423C419-A421 VanDerWaalsContact C-N 3.34Å; C419-A421 PolarHBondContact O-N 2.79Å; C419-Y422 PolarHBondContact O-N 2.98Å; C419-E423 PolarHBondContact O-N 2.6Å; C419-E423 VanDerWaalsContact O-N 3.16Å
420Q69.5Low72.3Confident99 Ų9992.6 Ų92.646%0.46351%0.505SS..Hα-helixtrans-66.5-34.1178.3-61.5176.2-10.900112.3I412 T418 Y422 E423 A424I412-Q420 HydrophobicContact CG2-CB 4.42Å; T418-Q420 PolarHBondContact O-N 2.75Å; T418-Q420 VanDerWaalsContact O-N 3.11Å; T418-Q420 PolarHBondContact OG1-N 3.38Å; Q420-Y422 VanDerWaalsContact C-N 3.33Å; Q420-Y422 PolarHBondContact O-N 2.81Å; Q420-E423 PolarHBondContact O-N 2.94Å; Q420-A424 WeakPolarHBondContact O-CB 3.39Å; Q420-A424 PolarHBondContact O-N 3.01Å
421A69.8Low72.6Confident32 Ų3289 Ų8926%0.26448%0.479SS..Hα-helixtrans-65.4-37.4176.600000112T418 C419 A425T418-A421 WeakPolarHBondContact O-CB 3.46Å; T418-A421 PolarHBondContact O-N 2.89Å; C419-A421 VanDerWaalsContact C-N 3.34Å; C419-A421 PolarHBondContact O-N 2.79Å; A421-A425 WeakPolarHBondContact O-CB 3.4Å; A421-A425 PolarHBondContact O-N 2.69Å
422Y75.9Confident73.2Confident166 Ų16688.6 Ų88.665%0.65148%0.475SS*.Hα-helixtrans-66.5-46174.5176.8-98.3000111.7C419 Q420 A424 A425 K426C419-Y422 PolarHBondContact O-N 2.98Å; Q420-Y422 VanDerWaalsContact C-N 3.33Å; Q420-Y422 PolarHBondContact O-N 2.81Å; Y422-A424 VanDerWaalsContact C-N 3.31Å; Y422-A424 PolarHBondContact O-N 2.81Å; Y422-A425 PolarHBondContact O-N 2.85Å; Y422-A425 VanDerWaalsContact O-N 3.16Å; Y422-K426 PolarHBondContact O-N 3.24Å
423E75.8Confident74.1Confident118 Ų11891.3 Ų91.355%0.55149%0.489SS*.Hα-helixtrans-58.8-42.9175.3-70.7179.2179.300111.9C419 Q420 K426 L427C419-E423 PolarHBondContact O-N 2.6Å; C419-E423 VanDerWaalsContact O-N 3.16Å; Q420-E423 PolarHBondContact O-N 2.94Å; E423-K426 PolarHBondContact O-N 2.89Å; E423-L427 WeakPolarHBondContact O-CB 3.49Å; E423-L427 PolarHBondContact O-N 3.2Å
424A74.3Confident75.2Confident2 Ų288 Ų882%0.01747%0.468CS..Hα-helixtrans-64.4-39.4175.900000112.4I412 Q420 Y422 L427 R428I412-A424 HydrophobicContact CD1-CB 4.41Å; I412-A424 HydrophobicContact CG2-CB 4.17Å; Q420-A424 WeakPolarHBondContact O-CB 3.39Å; Q420-A424 PolarHBondContact O-N 3.01Å; Y422-A424 VanDerWaalsContact C-N 3.31Å; Y422-A424 PolarHBondContact O-N 2.81Å; A424-L427 PolarHBondContact O-N 2.92Å; A424-R428 WeakPolarHBondContact O-CG 3.48Å; A424-R428 PolarHBondContact O-N 3.04Å
425A80.4Confident76.6Confident43 Ų4382.9 Ų82.936%0.35545%0.446SS..Hα-helixtrans-64.8-46.5176.600000111.8A421 Y422 L427 R428 E429A421-A425 WeakPolarHBondContact O-CB 3.4Å; A421-A425 PolarHBondContact O-N 2.69Å; Y422-A425 PolarHBondContact O-N 2.85Å; Y422-A425 VanDerWaalsContact O-N 3.16Å; A425-L427 VanDerWaalsContact C-N 3.28Å; A425-L427 PolarHBondContact O-N 2.82Å; A425-R428 WeakPolarHBondContact O-CB 3.19Å; A425-R428 PolarHBondContact O-N 2.8Å; A425-E429 PolarHBondContact O-N 2.97Å
426K84.8Confident78.2Confident130 Ų13080 Ų8057%0.56543%0.433SS*.Hα-helixtrans-59.2-40175.1-174.2175.5-177176.30112Y422 E423 E429 L430Y422-K426 PolarHBondContact O-N 3.24Å; E423-K426 PolarHBondContact O-N 2.89Å; K426-E429 PolarHBondContact O-N 2.89Å; K426-L430 PolarHBondContact O-N 3.2Å
427L79.9Confident79.6Confident26 Ų2675.3 Ų75.314%0.13640%0.403CS..Hα-helixtrans-66.1-39.6177.2-172.259.2000112.1L405 K408 A409 I412 E423 A424 A425 L430 I431L405-L427 HydrophobicContact CB-CD1 4.19Å; L405-L427 HydrophobicContact CD2-CD1 3.58Å; L405-L427 HydrophobicContact CG-CD1 4.39Å; K408-L427 HydrophobicContact CB-CD2 3.99Å; A409-L427 HydrophobicContact CB-CD2 3.66Å; A409-L427 HydrophobicContact CB-CG 4.14Å; I412-L427 HydrophobicContact CD1-CD2 4.17Å; E423-L427 WeakPolarHBondContact O-CB 3.49Å; E423-L427 PolarHBondContact O-N 3.2Å; A424-L427 PolarHBondContact O-N 2.92Å; A425-L427 VanDerWaalsContact C-N 3.28Å; A425-L427 PolarHBondContact O-N 2.82Å; L427-L430 PolarHBondContact O-N 2.76Å; L427-I431 HydrophobicContact CG-CD1 4.41Å; L427-I431 VanDerWaalsContact O-CG1 3.28Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 3.18Å
428R83.3Confident80.8Confident118 Ų11871.6 Ų71.645%0.44536%0.364SS..Hα-helixtrans-64.1-41.3174.6-74.1-174.3-67-91.74112.4A424 A425 I431 S432A424-R428 WeakPolarHBondContact O-CG 3.48Å; A424-R428 PolarHBondContact O-N 3.04Å; A425-R428 WeakPolarHBondContact O-CB 3.19Å; A425-R428 PolarHBondContact O-N 2.8Å; R428-I431 PolarHBondContact O-N 3.05Å; R428-S432 PolarHBondContact O-N 2.84Å
429E86.5Confident81.6Confident126 Ų12672.1 Ų72.159%0.58937%0.365SS*.Hα-helixtrans-61.7-45.2175.3-174.1-178.8-172.800111.5A425 K426 I431 S432 I433A425-E429 PolarHBondContact O-N 2.97Å; K426-E429 PolarHBondContact O-N 2.89Å; E429-I431 VanDerWaalsContact C-N 3.33Å; E429-I431 PolarHBondContact O-N 3.4Å; E429-S432 WeakPolarHBondContact O-CB 3.4Å; E429-S432 PolarHBondContact O-N 3.21Å; E429-S432 VanDerWaalsContact O-N 3.15Å; E429-I433 HydrophobicContact CG-CD1 4.23Å; E429-I433 WeakPolarHBondContact O-CG1 3.5Å; E429-I433 PolarHBondContact O-N 2.98Å
430L84.8Confident82.5Confident62 Ų6271.4 Ų71.433%0.32535%0.351SS..Hα-helixtrans-60.7-41.9176.3-177.962.3000112.1L405 K426 L427 S432 I433 R434L405-L430 HydrophobicContact CD1-CD2 4.14Å; L405-L430 HydrophobicContact CD1-CG 4.29Å; L405-L430 HydrophobicContact CD2-CD2 4.4Å; K426-L430 PolarHBondContact O-N 3.2Å; L427-L430 PolarHBondContact O-N 2.76Å; L430-S432 VanDerWaalsContact C-N 3.34Å; L430-I433 PolarHBondContact O-N 2.98Å; L430-R434 HydrophobicContact CD1-CG 4.3Å; L430-R434 HydrophobicContact CG-CG 4.5Å; L430-R434 WeakPolarHBondContact O-CB 3.48Å; L430-R434 WeakPolarHBondContact O-CG 3.31Å; L430-R434 PolarHBondContact O-N 3.33Å; L430-R434 VanDerWaalsContact O-N 3.08Å
431I85.3Confident83.1Confident17 Ų1768 Ų689%0.08734%0.336CS..Hα-helixtrans-57.9-48.1174.1-71.9166000110.1L402 L405 R406 A409 L427 R428 E429 I433 R434 E435L402-I431 HydrophobicContact CD2-CB 4.35Å; L402-I431 HydrophobicContact CD2-CG1 4.49Å; L402-I431 HydrophobicContact CD2-CG2 3.97Å; L405-I431 HydrophobicContact CB-CD1 4.05Å; L405-I431 HydrophobicContact CB-CG1 3.75Å; L405-I431 HydrophobicContact CD1-CG1 4.38Å; R406-I431 HydrophobicContact CG-CD1 4.05Å; R406-I431 HydrophobicContact CG-CG2 4.36Å; A409-I431 HydrophobicContact CB-CD1 4.15Å; L427-I431 HydrophobicContact CG-CD1 4.41Å; L427-I431 VanDerWaalsContact O-CG1 3.28Å; L427-I431 WeakPolarHBondContact O-CG1 3.44Å; L427-I431 PolarHBondContact O-N 3.18Å; R428-I431 PolarHBondContact O-N 3.05Å; E429-I431 VanDerWaalsContact C-N 3.33Å; E429-I431 PolarHBondContact O-N 3.4Å; I431-I433 PolarHBondContact O-N 3.35Å; I431-R434 PolarHBondContact O-N 3.45Å; I431-E435 HydrophobicContact CG2-CG 4.39Å; I431-E435 VanDerWaalsContact CG2-OE1 3.22Å; I431-E435 WeakPolarHBondContact CG2-OE1 3.23Å; I431-E435 WeakPolarHBondContact O-CG 3.48Å; I431-E435 PolarHBondContact O-N 3.27Å
432S89.2Confident83.7Confident75 Ų7570.8 Ų70.852%0.52434%0.34SS..Hα-helixtrans-58-48.7179.3-176.40000112.7R428 E429 L430 R434 E435 E436R428-S432 PolarHBondContact O-N 2.84Å; E429-S432 WeakPolarHBondContact O-CB 3.4Å; E429-S432 PolarHBondContact O-N 3.21Å; E429-S432 VanDerWaalsContact O-N 3.15Å; L430-S432 VanDerWaalsContact C-N 3.34Å; S432-R434 VanDerWaalsContact C-N 3.28Å; S432-R434 PolarHBondContact O-N 2.88Å; S432-E435 PolarHBondContact O-N 3.39Å; S432-E436 PolarHBondContact O-N 3.42Å; S432-E436 VanDerWaalsContact O-N 3.13Å
433I88.5Confident84Confident98 Ų9870 Ų7050%0.50334%0.336SS..Hα-helixtrans-60.1-40.3178.1-67.2168.6000111.3E429 L430 I431 G437E429-I433 HydrophobicContact CG-CD1 4.23Å; E429-I433 WeakPolarHBondContact O-CG1 3.5Å; E429-I433 PolarHBondContact O-N 2.98Å; L430-I433 PolarHBondContact O-N 2.98Å; I431-I433 PolarHBondContact O-N 3.35Å; I433-G437 PolarHBondContact O-N 2.76Å; I433-G437 VanDerWaalsContact O-N 3.11Å
434R84Confident84.4Confident93 Ų9369.9 Ų69.935%0.35133%0.333SS..Hα-helixtrans-70.4-38.6-179.1-71-72.4-172.6-125.92.7112.2L402 L430 I431 S432 G437 V438L402-R434 HydrophobicContact CD2-CB 3.66Å; L402-R434 HydrophobicContact CG-CB 4.13Å; L430-R434 HydrophobicContact CD1-CG 4.3Å; L430-R434 HydrophobicContact CG-CG 4.5Å; L430-R434 WeakPolarHBondContact O-CB 3.48Å; L430-R434 WeakPolarHBondContact O-CG 3.31Å; L430-R434 PolarHBondContact O-N 3.33Å; L430-R434 VanDerWaalsContact O-N 3.08Å; I431-R434 PolarHBondContact O-N 3.45Å; S432-R434 VanDerWaalsContact C-N 3.28Å; S432-R434 PolarHBondContact O-N 2.88Å; R434-G437 PolarHBondContact O-N 2.92Å; R434-V438 PolarHBondContact O-N 3.37Å
435E88.2Confident84.5Confident44 Ų4471.1 Ų71.121%0.20634%0.339CS..Hα-helixtrans-61.8-44.9175-73.5179-172.900111.8L236 L402 R406 I431 S432 G437 V438 L439L236-E435 HydrophobicContact CD1-CG 3.87Å; L236-E435 HydrophobicContact CD2-CG 4.25Å; L402-E435 HydrophobicContact CD1-CG 3.75Å; L402-E435 HydrophobicContact CD2-CG 3.86Å; L402-E435 HydrophobicContact CG-CG 4.49Å; R406-E435 IonicContact CZ-OE1 3.18Å; R406-E435 VanDerWaalsContact CZ-OE1 3.29Å; R406-E435 IonicContact NE-OE1 2.74Å; R406-E435 PolarHBondContact NE-OE1 3.33Å; R406-E435 IonicContact NH2-OE1 2.68Å; R406-E435 PolarHBondContact NH2-OE1 3.38Å; R406-E435 IonicContact NH2-OE2 3.93Å; I431-E435 HydrophobicContact CG2-CG 4.39Å; I431-E435 VanDerWaalsContact CG2-OE1 3.22Å; I431-E435 WeakPolarHBondContact CG2-OE1 3.23Å; I431-E435 WeakPolarHBondContact O-CG 3.48Å; I431-E435 PolarHBondContact O-N 3.27Å; S432-E435 PolarHBondContact O-N 3.39Å; E435-G437 VanDerWaalsContact C-N 3.32Å; E435-G437 PolarHBondContact O-N 2.79Å; E435-V438 PolarHBondContact O-N 2.67Å; E435-L439 WeakPolarHBondContact O-CG 3.44Å; E435-L439 PolarHBondContact O-N 3.19Å
436E88.4Confident84.1Confident76 Ų7671.9 Ų71.936%0.35534%0.34SS..Hα-helixtrans-60.9-42.6174.9179.854.2-15000111.3S432 V438 L439 Q440S432-E436 PolarHBondContact O-N 3.42Å; S432-E436 VanDerWaalsContact O-N 3.13Å; E436-V438 VanDerWaalsContact C-N 3.34Å; E436-V438 PolarHBondContact O-N 3.4Å; E436-L439 PolarHBondContact O-N 3.36Å; E436-Q440 WeakPolarHBondContact O-CG 3.31Å; E436-Q440 PolarHBondContact O-N 2.92Å; E436-Q440 WeakPolarHBondContact OE1-CG 3.49Å; E436-Q440 PolarHBondContact OE1-NE2 2.72Å
437G85.7Confident83.3Confident23 Ų2370.5 Ų70.524%0.23734%0.338CS..Hα-helixtrans-57.6-43.1174.600000113.4I433 R434 E435 Q440 L441I433-G437 PolarHBondContact O-N 2.76Å; I433-G437 VanDerWaalsContact O-N 3.11Å; R434-G437 PolarHBondContact O-N 2.92Å; E435-G437 VanDerWaalsContact C-N 3.32Å; E435-G437 PolarHBondContact O-N 2.79Å; G437-Q440 PolarHBondContact O-N 2.89Å; G437-L441 WeakPolarHBondContact O-CD1 3.29Å; G437-L441 WeakPolarHBondContact O-CG 3.38Å; G437-L441 PolarHBondContact O-N 3.2Å; G437-L441 VanDerWaalsContact O-N 3.07Å
438V85Confident82.4Confident4 Ų475.3 Ų75.32%0.02436%0.355CS..Hα-helixtrans-62.8-44.9175.4167.80000111.3I395 L398 M399 L402 R434 E435 E436 Q440 L441 R442I395-V438 HydrophobicContact CG2-CG1 3.96Å; L398-V438 HydrophobicContact CB-CG2 3.75Å; L398-V438 HydrophobicContact CD1-CG2 4.2Å; M399-V438 HydrophobicContact CG-CG1 4.18Å; M399-V438 HydrophobicContact CG-CG2 4.17Å; M399-V438 HydrophobicContact SD-CB 4.45Å; M399-V438 HydrophobicContact SD-CG1 3.79Å; M399-V438 HydrophobicContact SD-CG2 4.1Å; L402-V438 HydrophobicContact CD1-CG2 4.2Å; R434-V438 PolarHBondContact O-N 3.37Å; E435-V438 PolarHBondContact O-N 2.67Å; E436-V438 VanDerWaalsContact C-N 3.34Å; E436-V438 PolarHBondContact O-N 3.4Å; V438-Q440 VanDerWaalsContact C-N 3.34Å; V438-Q440 PolarHBondContact O-N 3.06Å; V438-L441 PolarHBondContact O-N 2.96Å; V438-R442 WeakPolarHBondContact O-CB 3.48Å; V438-R442 PolarHBondContact O-N 2.82Å
439L85.9Confident81.1Confident57 Ų5775 Ų7530%0.29835%0.353SS..Hα-helixtrans-61.8-41.3178.5-69.8174.5000111.8E435 E436 R442 R443E435-L439 WeakPolarHBondContact O-CG 3.44Å; E435-L439 PolarHBondContact O-N 3.19Å; E436-L439 PolarHBondContact O-N 3.36Å; L439-R442 PolarHBondContact O-N 3.2Å; L439-R443 WeakPolarHBondContact O-CG 3.47Å; L439-R443 PolarHBondContact O-N 3.44Å
440Q87.2Confident78.9Confident90 Ų9073.8 Ų73.842%0.42136%0.359SS..Hα-helixtrans-64.3-45176.7-70.9179.41200112.6E436 G437 V438 R442 R443 K444E436-Q440 WeakPolarHBondContact O-CG 3.31Å; E436-Q440 PolarHBondContact O-N 2.92Å; E436-Q440 WeakPolarHBondContact OE1-CG 3.49Å; E436-Q440 PolarHBondContact OE1-NE2 2.72Å; G437-Q440 PolarHBondContact O-N 2.89Å; V438-Q440 VanDerWaalsContact C-N 3.34Å; V438-Q440 PolarHBondContact O-N 3.06Å; Q440-R442 VanDerWaalsContact C-N 3.27Å; Q440-R442 PolarHBondContact O-N 2.82Å; Q440-R443 PolarHBondContact O-N 2.59Å; Q440-K444 WeakPolarHBondContact O-CG 3.47Å; Q440-K444 PolarHBondContact O-N 2.83Å; Q440-K444 VanDerWaalsContact O-N 3.17Å
441L82.4Confident76.9Confident29 Ų2979.2 Ų79.215%0.15238%0.38CS..Hα-helixtrans-61.7-38.1176.5-75.8157.6000111.3K391 L394 I395 L398 G437 V438 K444 L445K391-L441 HydrophobicContact CB-CD2 4.09Å; K391-L441 HydrophobicContact CG-CD2 4.16Å; L394-L441 HydrophobicContact CD2-CD1 3.75Å; L394-L441 HydrophobicContact CD2-CD2 4.14Å; L394-L441 HydrophobicContact CG-CD1 4.02Å; I395-L441 HydrophobicContact CD1-CB 3.69Å; I395-L441 HydrophobicContact CG1-CB 3.57Å; I395-L441 HydrophobicContact CG1-CD1 4.1Å; I395-L441 HydrophobicContact CG1-CG 4.42Å; L398-L441 HydrophobicContact CD1-CD1 3.84Å; G437-L441 WeakPolarHBondContact O-CD1 3.29Å; G437-L441 WeakPolarHBondContact O-CG 3.38Å; G437-L441 PolarHBondContact O-N 3.2Å; G437-L441 VanDerWaalsContact O-N 3.07Å; V438-L441 PolarHBondContact O-N 2.96Å; L441-K444 PolarHBondContact O-N 2.83Å; L441-L445 PolarHBondContact O-N 2.87Å; L441-L445 VanDerWaalsContact O-N 3.14Å
442R82Confident74.8Confident90 Ų9084.1 Ų84.134%0.3441%0.411SS..Hα-helixtrans-67.7-42.5177.3-174.6178177.9-150.8-8.1113L236 D238 I395 V438 L439 Q440 K444 L445 T446L236-R442 PolarHBondContact O-NH1 3.12Å; L236-R442 VanDerWaalsContact O-NH1 3.14Å; D238-R442 PolarHBondContact O-NE 3.4Å; I395-R442 HydrophobicContact CD1-CB 4.44Å; V438-R442 WeakPolarHBondContact O-CB 3.48Å; V438-R442 PolarHBondContact O-N 2.82Å; L439-R442 PolarHBondContact O-N 3.2Å; Q440-R442 VanDerWaalsContact C-N 3.27Å; Q440-R442 PolarHBondContact O-N 2.82Å; R442-K444 VanDerWaalsContact C-N 3.3Å; R442-K444 PolarHBondContact O-N 3.13Å; R442-L445 PolarHBondContact O-N 3.29Å; R442-L445 VanDerWaalsContact O-N 3.1Å; R442-T446 PolarHBondContact O-N 2.98Å; R442-T446 PolarHBondContact O-OG1 3.41Å
443R83.4Confident72.1Confident150 Ų15082.8 Ų82.857%0.56641%0.41SS*.Hα-helixtrans-55.3-49.5172.9-73.2-179.9-170.3149.26.3110.1L439 Q440 L445 T446 D447L439-R443 WeakPolarHBondContact O-CG 3.47Å; L439-R443 PolarHBondContact O-N 3.44Å; Q440-R443 PolarHBondContact O-N 2.59Å; R443-L445 PolarHBondContact O-N 3.3Å; R443-L445 VanDerWaalsContact O-N 3.13Å; R443-T446 PolarHBondContact O-N 3.47Å; R443-D447 VanDerWaalsContact O-CG 3.24Å; R443-D447 PolarHBondContact O-N 2.9Å
444K82.4Confident69.4Low115 Ų11585.6 Ų85.650%0.543%0.426SS..Hα-helixtrans-60.5-23.5176.8-69.7178.1179.6176.50114.9Q440 L441 R442Q440-K444 WeakPolarHBondContact O-CG 3.47Å; Q440-K444 PolarHBondContact O-N 2.83Å; Q440-K444 VanDerWaalsContact O-N 3.17Å; L441-K444 PolarHBondContact O-N 2.83Å; R442-K444 VanDerWaalsContact C-N 3.3Å; R442-K444 PolarHBondContact O-N 3.13Å
445L77.2Confident66.8Low28 Ų2888.2 Ų88.215%0.14744%0.442CS..Hα-helixtrans-84.6-36.2173.1-77.2174.7000112.2D389 K391 S392 I395 L441 R442 R443 R448D389-L445 WeakPolarHBondContact OD1-CD2 3.48Å; K391-L445 HydrophobicContact CB-CD1 4.26Å; K391-L445 HydrophobicContact CB-CD2 4.14Å; K391-L445 HydrophobicContact CB-CG 4.19Å; K391-L445 HydrophobicContact CD-CD2 4.22Å; K391-L445 HydrophobicContact CD-CG 4.42Å; S392-L445 WeakPolarHBondContact OG-CD1 3.36Å; I395-L445 HydrophobicContact CD1-CD1 3.58Å; L441-L445 PolarHBondContact O-N 2.87Å; L441-L445 VanDerWaalsContact O-N 3.14Å; R442-L445 PolarHBondContact O-N 3.29Å; R442-L445 VanDerWaalsContact O-N 3.1Å; R443-L445 PolarHBondContact O-N 3.3Å; R443-L445 VanDerWaalsContact O-N 3.13Å; L445-R448 PolarHBondContact O-N 3.28Å
446T72.4Confident64.2Low59 Ų5991.7 Ų91.736%0.36247%0.471SS..Hα-helixtrans-68.8-40.1-179.4-51.40000111R442 R443 R448 R449R442-T446 PolarHBondContact O-N 2.98Å; R442-T446 PolarHBondContact O-OG1 3.41Å; R443-T446 PolarHBondContact O-N 3.47Å; T446-R448 PolarHBondContact O-N 2.9Å; T446-R448 VanDerWaalsContact O-N 3.12Å; T446-R449 WeakPolarHBondContact O-CB 3.46Å; T446-R449 WeakPolarHBondContact O-CG 3.42Å; T446-R449 PolarHBondContact O-N 2.86Å
447D67.1Low61.9Low101 Ų10192.9 Ų92.954%0.5448%0.478SS..Hα-helixtrans-58.1-29178.8-61.7-23.6000112.8R443 R449 S450R443-D447 VanDerWaalsContact O-CG 3.24Å; R443-D447 PolarHBondContact O-N 2.9Å; D447-R449 VanDerWaalsContact C-N 3.3Å; D447-R449 PolarHBondContact O-N 3.26Å; D447-S450 PolarHBondContact O-N 3.01Å
448R61.9Low59.5Low126 Ų126100.9 Ų100.948%0.47551%0.51SS..Hα-helixtrans-69-27.1176.2-61.8-174.2105.9149.26.7112.8L445 T446 S450 F451 T452L445-R448 PolarHBondContact O-N 3.28Å; T446-R448 PolarHBondContact O-N 2.9Å; T446-R448 VanDerWaalsContact O-N 3.12Å; R448-S450 VanDerWaalsContact C-N 3.27Å; R448-S450 PolarHBondContact O-N 3Å; R448-F451 PolarHBondContact O-N 2.93Å; R448-T452 PolarHBondContact O-N 3.1Å; R448-T452 PolarHBondContact O-OG1 3.44Å
449R54.8Low57Low111 Ų111103.2 Ų103.242%0.41953%0.529SS..Hα-helixtrans-59.8-40.9177.2-63.2178.8173.3-164.7-8.9111R229 D240 T446 D447 F451 T452 G453R229-R449 VanDerWaalsContact NH2-CZ 3.27Å; D240-R449 IonicContact OD2-CZ 3.6Å; D240-R449 IonicContact OD2-NE 3.47Å; D240-R449 PolarHBondContact OD2-NE 3.12Å; D240-R449 IonicContact OD2-NH2 3.31Å; D240-R449 PolarHBondContact OD2-NH2 3.43Å; T446-R449 WeakPolarHBondContact O-CB 3.46Å; T446-R449 WeakPolarHBondContact O-CG 3.42Å; T446-R449 PolarHBondContact O-N 2.86Å; D447-R449 VanDerWaalsContact C-N 3.3Å; D447-R449 PolarHBondContact O-N 3.26Å; R449-F451 VanDerWaalsContact C-N 3.28Å; R449-F451 PolarHBondContact O-N 3.13Å; R449-T452 PolarHBondContact O-N 3.14Å; R449-G453 PolarHBondContact O-N 2.86Å
450S42.3Very low54.6Low101 Ų101104.1 Ų104.171%0.70654%0.537SS*.Hα-helixtrans-68.3-27.8-176-490000112.7D447 R448D447-S450 PolarHBondContact O-N 3.01Å; R448-S450 VanDerWaalsContact C-N 3.27Å; R448-S450 PolarHBondContact O-N 3Å
451F41.8Very low52.1Low176 Ų176104 Ų10477%0.77254%0.543SS*.Hα-helixtrans-86.8-28.9179.6-88.1-84.2000114.1R448 R449R448-F451 PolarHBondContact O-N 2.93Å; R449-F451 VanDerWaalsContact C-N 3.28Å; R449-F451 PolarHBondContact O-N 3.13Å
452T40.6Very low50Low120 Ų120105.6 Ų105.674%0.73656%0.556SS**Hα-helixtrans-91.8-2.3-179.161.60000113.7R448 R449R448-T452 PolarHBondContact O-N 3.1Å; R448-T452 PolarHBondContact O-OG1 3.44Å; R449-T452 PolarHBondContact O-N 3.14Å
453G33.1Very low47.7Very low48 Ų48108.3 Ų108.350%0.49557%0.573SS.*SBendtrans-68.7-40.1-168.300000116.5R449R449-G453 PolarHBondContact O-N 2.86Å
454D31.7Very low45.4Very low156 Ų156107 Ų10783%0.83458%0.576SS**SBendtrans-145.512.7-163.7-82.2-41.8000116.4
455H30.2Very low43Very low149 Ų149103.7 Ų103.769%0.6957%0.567SS**  trans-105.2111.5179.5-71-52.6000112.9I457H455-I457 VanDerWaalsContact O-CG1 3.23Å; H455-I457 WeakPolarHBondContact O-CG1 3.44Å; H455-I457 PolarHBondContact O-N 2.96Å
456S33.1Very low40.8Very low117 Ų117110.4 Ų110.482%0.81860%0.595SS**  trans-35.5106.2157.350.50000111Q458S456-Q458 PolarHBondContact O-N 2.85Å
457I40Very low38.6Very low100 Ų100111.6 Ų111.651%0.51361%0.606SS.*SBendtrans-78.182.6-169-58.3176.4000109.9H455 V460H455-I457 VanDerWaalsContact O-CG1 3.23Å; H455-I457 WeakPolarHBondContact O-CG1 3.44Å; H455-I457 PolarHBondContact O-N 2.96Å; I457-V460 HydrophobicContact CB-CG2 4.2Å; I457-V460 HydrophobicContact CG1-CG2 3.99Å; I457-V460 HydrophobicContact CG2-CB 3.63Å; I457-V460 HydrophobicContact CG2-CG2 3.64Å
458Q34.8Very low36.8Very low192 Ų192111.7 Ų111.790%0.89761%0.61SS**SBendtrans-106.9-4.7158.1-95.5-178.9-9.600113S456S456-Q458 PolarHBondContact O-N 2.85Å
459A32.5Very low35.2Very low53 Ų53114.7 Ų114.744%0.43863%0.63SS.*SBendtrans-119-8-175.700000115.7T461 S462A459-T461 PolarHBondContact O-N 3.23Å; A459-S462 PolarHBondContact O-N 3.07Å; A459-S462 PolarHBondContact O-OG 3.39Å
460V35.3Very low33.8Very low76 Ų76114.8 Ų114.846%0.46164%0.643SS.*Hα-helixtrans-75.5-23.7-166.4-175.70000113.5I457 S462I457-V460 HydrophobicContact CB-CG2 4.2Å; I457-V460 HydrophobicContact CG1-CG2 3.99Å; I457-V460 HydrophobicContact CG2-CB 3.63Å; I457-V460 HydrophobicContact CG2-CG2 3.64Å; V460-S462 VanDerWaalsContact C-N 3.33Å; V460-S462 PolarHBondContact O-N 3.44Å
461T36.3Very low33.2Very low87 Ų87115.3 Ų115.353%0.53465%0.647SS.*Hα-helixtrans-73.1-23.3174.941.50000113A459A459-T461 PolarHBondContact O-N 3.23Å
462S38Very low32.5Very low62 Ų62116 Ų11643%0.43465%0.652SS.*Hα-helixtrans-88.8-29.2-179.756.60000114.9A459 V460A459-S462 PolarHBondContact O-N 3.07Å; A459-S462 PolarHBondContact O-OG 3.39Å; V460-S462 VanDerWaalsContact C-N 3.33Å; V460-S462 PolarHBondContact O-N 3.44Å
463E33.9Very low31.7Very low148 Ų148116.7 Ų116.769%0.69266%0.656SS**Hα-helixtrans-95.5-29.4-172-70.1-164.4160.100114.4C465E463-C465 PolarHBondContact O-N 2.85Å
464L33.6Very low31.4Very low121 Ų121125.2 Ų125.263%0.63468%0.675SS**THydrogen-bonded Turntrans-69.9-17.2178.7-148.978.5000112.9
465C33.6Very low31.2Very low47 Ų47126.2 Ų126.232%0.31867%0.674SS.*THydrogen-bonded Turntrans-104.70.3-175.5-88.90000115.5Y178 E463Y178-C465 PolarHBondContact OH-SG 3.33Å; Y178-C465 VanDerWaalsContact OH-SG 3.36Å; E463-C465 PolarHBondContact O-N 2.85Å
466K29.9Very low31.1Very low168 Ų168126.4 Ų126.473%0.7368%0.681SS**THydrogen-bonded Turntrans-92-13.8174.2-72-175.8-177.6177.40113.9T468K466-T468 VanDerWaalsContact C-N 3.29Å; K466-T468 PolarHBondContact O-N 2.99Å
467S26.2Very low30.8Very low85 Ų85130.2 Ų130.259%0.59469%0.686SS**THydrogen-bonded Turntrans-83.911.8-173.754.80000115.7
468T28.8Very low30.4Very low102 Ų102129.1 Ų129.163%0.62669%0.692SS**THydrogen-bonded Turntrans-108.511.2174.150.50000114.9K466 T470K466-T468 VanDerWaalsContact C-N 3.29Å; K466-T468 PolarHBondContact O-N 2.99Å; T468-T470 VanDerWaalsContact C-N 3.27Å; T468-T470 PolarHBondContact O-N 3.11Å
469Q29.1Very low30.3Very low189 Ų189127.1 Ų127.188%0.88369%0.687SS**  trans-86.967.4159.1-77.2-177.1-300110.1
470T25.8Very low30.6Very low114 Ų114130.7 Ų130.770%0.69970%0.704SS**  trans-121.365.7162.959.30000108.5T468T468-T470 VanDerWaalsContact C-N 3.27Å; T468-T470 PolarHBondContact O-N 3.11Å
471S29Very low30.6Very low112 Ų112129.6 Ų129.678%0.78371%0.707SS**SBendtrans-118.372.9159.1-71.70000106.4
472E26.9Very low30.8Very low189 Ų189128.8 Ų128.888%0.88371%0.705SS**SBendtrans-171.1-6.8163.1-107.8162.1-142.900114.9Y474E472-Y474 VanDerWaalsContact C-N 3.35Å; E472-Y474 PolarHBondContact O-N 3.31Å
473V25.1Very low31Very low136 Ų136133.2 Ų133.282%0.82472%0.719SS**  trans-96.660.2175.1-163.90000111.4
474Y26.3Very low31.3Very low226 Ų226131 Ų13189%0.88672%0.716SS**  trans-121.873.8158.4-87.2-79.3000106.9E472E472-Y474 VanDerWaalsContact C-N 3.35Å; E472-Y474 PolarHBondContact O-N 3.31Å
475Q27Very low31.3Very low177 Ų177131.4 Ų131.483%0.82772%0.718SS**SBendtrans-159.1-10.9159.9-116.4166.313.800119.5
476N27.7Very low31.4Very low154 Ų154138.6 Ų138.682%0.82474%0.738SS**SBendtrans-123.629.8-165.6-75.8-10.6000118.9
477E27.9Very low31.7Very low197 Ų197140 Ų14092%0.92174%0.739SS**  trans-13534.5169.8-70.4-159.617200115.2
478A30.5Very low32.3Very low77 Ų77140.5 Ų140.564%0.63674%0.739SS**SBendtrans-88.2-4.2171.400000114.7
479D33.8Very low32.7Very low149 Ų149142 Ų14280%0.79774%0.742SS**THydrogen-bonded Turntrans-10412-163.6-97.1-9.2000117.5
480T37.3Very low33Very low129 Ų129137 Ų13779%0.79173%0.727SS**THydrogen-bonded Turntrans-124.3-10.1175-28.90000115
481G35.4Very low33.5Very low52 Ų52136.9 Ų136.954%0.53673%0.727SS.*THydrogen-bonded Turntrans-92.2-24.917700000115.4Q483G481-Q483 PolarHBondContact O-N 3.43Å
482S41.9Very low33.6Very low70 Ų70137.5 Ų137.549%0.4972%0.721SS.*Hα-helixtrans-80.2-11.8-172.3-74.30000115.3
483Q40.5Very low33.8Very low155 Ų155136.3 Ų136.372%0.72472%0.72SS**Hα-helixtrans-82.7-32.3178.1-65.2-167.412.400112.9G481 R487G481-Q483 PolarHBondContact O-N 3.43Å; Q483-R487 PolarHBondContact O-N 3.43Å
484T40.4Very low33.9Very low102 Ų102135 Ų13563%0.62672%0.716SS**Hα-helixtrans-75.6-39.8-179.7-48.40000111.7R487T484-R487 PolarHBondContact O-N 3.35Å
485L33.9Very low33.9Very low130 Ų130130.5 Ų130.568%0.68171%0.712SS**Hα-helixtrans-73.8-26.5179.4-72.6174.7000113.7
486R35.5Very low34.1Very low197 Ų197129.2 Ų129.274%0.74371%0.711SS**Hα-helixtrans-73.5-29.4172.3-82-169-166.7148.66.5113.4L489 S490R486-L489 PolarHBondContact O-N 3.07Å; R486-S490 PolarHBondContact O-N 2.95Å
487R37.6Very low34.1Very low198 Ų198128.2 Ų128.275%0.74771%0.711SS**Hα-helixtrans-74.7-27.2-178.5-152.5-179.3-98.2157.6-6.6112.8Q483 T484 S490Q483-R487 PolarHBondContact O-N 3.43Å; T484-R487 PolarHBondContact O-N 3.35Å; R487-S490 PolarHBondContact O-OG 3.48Å; R487-S490 VanDerWaalsContact O-OG 3.12Å
488V38.7Very low34.1Very low96 Ų96126.7 Ų126.758%0.58271%0.708SS**Hα-helixtrans-79.5-28.2175.6-178.70000111.9T491V488-T491 PolarHBondContact O-OG1 3.06Å; V488-T491 VanDerWaalsContact O-OG1 3.12Å
489L35.8Very low33.9Very low133 Ų133128.7 Ų128.770%0.69671%0.712SS**Hα-helixtrans-83.4-12.8179.2-75165.3000114.2R486 T491R486-L489 PolarHBondContact O-N 3.07Å; L489-T491 VanDerWaalsContact C-N 3.29Å; L489-T491 PolarHBondContact O-N 3.26Å
490S36.9Very low33.6Very low83 Ų83127.4 Ų127.458%0.5871%0.711SS**THydrogen-bonded Turntrans-79.4-4.4175.655.10000114.7R486 R487R486-S490 PolarHBondContact O-N 2.95Å; R487-S490 PolarHBondContact O-OG 3.48Å; R487-S490 VanDerWaalsContact O-OG 3.12Å
491T36.1Very low33Very low112 Ų112129.4 Ų129.469%0.68772%0.716SS**THydrogen-bonded Turntrans-100.33.1179.532.90000114.8V488 L489V488-T491 PolarHBondContact O-OG1 3.06Å; V488-T491 VanDerWaalsContact O-OG1 3.12Å; L489-T491 VanDerWaalsContact C-N 3.29Å; L489-T491 PolarHBondContact O-N 3.26Å
492L30.7Very low32.4Very low126 Ų126137.8 Ų137.866%0.6673%0.732SS**  trans-116.184.4176.2-69.9163.5000109.6C494L492-C494 PolarHBondContact O-N 3.27Å
493N30.2Very low31.7Very low163 Ų163141.7 Ų141.787%0.87275%0.746SS**  trans-67.778.8166.5-80.6-21.5000109.3
494C28Very low30.9Very low108 Ų108141.6 Ų141.673%0.7375%0.745SS**  trans-123.385.8170-58.90000108.4L492 N496L492-C494 PolarHBondContact O-N 3.27Å; C494-N496 PolarHBondContact O-N 3.5Å
495T27.1Very low30.3Very low132 Ų132145.3 Ų145.381%0.8176%0.755SS**  trans-64.6105.3161.744.90000108.1
496N29.8Very low30Very low151 Ų151145.5 Ų145.581%0.80776%0.757SS**  trans-160.2128.3146.2-89.1-28.5000109.8C494 I498C494-N496 PolarHBondContact O-N 3.5Å; N496-I498 PolarHBondContact O-N 3.01Å
497T27.5Very low29.5Very low133 Ų133145.3 Ų145.382%0.81676%0.762SS**  trans-60.5114.7-172.944.90000112.5
498I29.5Very low29.2Very low165 Ų165141.4 Ų141.485%0.84676%0.759SS**  trans-91.998170.1-59.9173.1000107.8N496N496-I498 PolarHBondContact O-N 3.01Å
499T25.9Very low28.6Very low119 Ų119143.8 Ų143.873%0.7377%0.769SS**PPolyproline II helixtrans-79.4133.7163.525.60000109.4L501T499-L501 PolarHBondContact O-N 2.98Å
500P27.6Very low28.1Very low121 Ų121147.3 Ų147.379%0.78678%0.779SS**PPolyproline II helixtrans-72.1124.3-173.728-33.3000111.2R502P500-R502 PolarHBondContact O-N 3.21Å
501L24.3Very low27.8Very low171 Ų171152.2 Ų152.290%0.89579%0.793SS**PPolyproline II helixtrans-65118.4176.7-80.4162.2000110.7T499T499-L501 PolarHBondContact O-N 2.98Å
502R23.7Very low27.4Very low228 Ų228150.8 Ų150.886%0.8680%0.8SS**  trans-80.3113172.2-159.4-179.9-153.8136.71.6108P500 H504P500-R502 PolarHBondContact O-N 3.21Å; R502-H504 PolarHBondContact O-N 3.44Å
503I26.3Very low27.5Very low153 Ų153152.8 Ų152.879%0.78581%0.81SS**  trans-73.9111.2177.7-59.4171.6000107.5
504H24.7Very low27.5Very low153 Ų153153.5 Ų153.571%0.70881%0.808SS**  trans-83.8115.9169.6-115-91.5000108.1R502 D506R502-H504 PolarHBondContact O-N 3.44Å; H504-D506 PolarHBondContact O-N 3.41Å
505E26.1Very low27.3Very low180 Ų180158.1 Ų158.184%0.84182%0.815SS**  trans-81.289.8172.6-71-175.8160.900109.2K507E505-K507 PolarHBondContact O-N 3.17Å
506D28Very low27.5Very low133 Ų133157.6 Ų157.671%0.71181%0.814SS**  trans-80.1110169.9-78.4-20.2000109.7H504 V508H504-D506 PolarHBondContact O-N 3.41Å; D506-V508 PolarHBondContact O-N 2.98Å
507K25.4Very low27.4Very low194 Ų194162 Ų16284%0.84382%0.821SS**  trans-67.6108.5166.3-78.1177.9173.7179.10108.7E505E505-K507 PolarHBondContact O-N 3.17Å
508V30.5Very low27.6Very low116 Ų116158.8 Ų158.870%0.70382%0.815SS**  trans-99.4106.6169.4-176.40000107.9D506D506-V508 PolarHBondContact O-N 2.98Å
509D27.4Very low27.4Very low146 Ų146160.6 Ų160.678%0.78182%0.82SS**  trans-70.1130171.9-74.7-39.6000109.8E511D509-E511 PolarHBondContact O-N 3.38Å
510F25.2Very low27.7Very low207 Ų207161.4 Ų161.491%0.90883%0.825SS**  trans-84.6100.3177.5-81.6-98000109.7
511E30.3Very low27.8Very low186 Ų186160.2 Ų160.287%0.86983%0.825SS**  trans-119.1134.7159.2-79-167.3161.400110.5D509D509-E511 PolarHBondContact O-N 3.38Å
512G28.1Very low28Very low81 Ų81160.3 Ų160.384%0.83583%0.826SS**  trans-69.1142.9-167.100000114.2
513I31.8Very low28.4Very low169 Ų169154.9 Ų154.987%0.86782%0.82SS**  trans-130.3118.6165.2-61.8-179.7000108
514E30.2Very low28.7Very low178 Ų178152.4 Ų152.483%0.83282%0.817SS**  trans-61.6153.7176.9-65.9179.3138.100112.2P516E514-P516 WeakPolarHBondContact O-CD 3.45Å
515K23.5Very low28.9Very low204 Ų204150.7 Ų150.789%0.88782%0.821SS**  trans-80.1121.3177.3-67.2172.2174.9176.50110.9
516P32.8Very low29.3Very low122 Ų122147 Ų14779%0.79282%0.816SS**  trans-105.6126.4159.520.8-1.1000110.2E514 G518E514-P516 WeakPolarHBondContact O-CD 3.45Å; P516-G518 PolarHBondContact O-N 3.34Å
517Y25.7Very low29.4Very low242 Ų242149.5 Ų149.595%0.94982%0.823SS**  trans-57127.1162.5-86.1-107000109.7
518G32.4Very low29.7Very low67 Ų67145.9 Ų145.969%0.69182%0.817SS**  trans-159.592.8174.600000110.5P516 T520P516-G518 PolarHBondContact O-N 3.34Å; G518-T520 PolarHBondContact O-N 3.41Å
519Q25.9Very low29.6Very low202 Ų202146 Ų14694%0.94482%0.823SS**  trans-67.3109.2166.1-74.3169-30.400108.4
520T31.2Very low29.8Very low137 Ų137144.1 Ų144.184%0.8482%0.817SS**  trans-133.1131.7162.331.80000110G518G518-T520 PolarHBondContact O-N 3.41Å
521A31.1Very low30.1Very low96 Ų96140.3 Ų140.379%0.79382%0.816SS**PPolyproline II helixtrans-58.3142.9-171.900000112.7P523A521-P523 WeakPolarHBondContact O-CD 3.28Å
522L27.7Very low30.3Very low173 Ų173136.7 Ų136.791%0.90681%0.807SS**PPolyproline II helixtrans-58.5116.8175.4-149.481000109.7
523P32.9Very low30.5Very low114 Ų114135.6 Ų135.674%0.7480%0.795SS**PPolyproline II helixtrans-75.8141.8171.79.54000109.9A521 S525A521-P523 WeakPolarHBondContact O-CD 3.28Å; P523-S525 PolarHBondContact O-N 3Å
524S31.6Very low30.6Very low101 Ų101134.8 Ų134.871%0.70679%0.787SS**PPolyproline II helixtrans-56.2129177.452.20000112.9S526S524-S526 PolarHBondContact O-N 3.07Å; S524-S526 VanDerWaalsContact O-N 3.15Å
525S29.5Very low31Very low116 Ų116131.6 Ų131.681%0.81179%0.785SS**  trans-4.495.5154.656.50000115.9P523P523-S525 PolarHBondContact O-N 3Å
526S34.6Very low31.6Very low104 Ų104130 Ų13073%0.72779%0.785SS**  trans-114.4109.9155.117.70000106.7S524 V528S524-S526 PolarHBondContact O-N 3.07Å; S524-S526 VanDerWaalsContact O-N 3.15Å; S526-V528 PolarHBondContact O-N 3.36Å
527E29.8Very low31.9Very low185 Ų185130.8 Ų130.886%0.86478%0.782SS**  trans-66.286.5-175.7-64.3174.9159.600110.5S529E527-S529 PolarHBondContact O-N 3.14Å
528V31Very low33.1Very low117 Ų117122.2 Ų122.271%0.70976%0.756SS**  trans-80.496.4164.8-179.90000107.2S526 T530S526-V528 PolarHBondContact O-N 3.36Å; V528-T530 VanDerWaalsContact C-N 3.26Å; V528-T530 HydrophobicContact CG1-CG2 4.47Å; V528-T530 PolarHBondContact O-N 2.88Å; V528-T530 PolarHBondContact O-OG1 3.3Å
529S29.2Very low34.2Very low118 Ų118121.6 Ų121.683%0.82574%0.742SS**  trans-59.184.4172.3-69.80000110.5E527E527-S529 PolarHBondContact O-N 3.14Å
530T32Very low35.7Very low108 Ų108117.3 Ų117.366%0.66373%0.731SS**  trans-91.7110.4165.227.80000107.1V528 V532V528-T530 VanDerWaalsContact C-N 3.26Å; V528-T530 HydrophobicContact CG1-CG2 4.47Å; V528-T530 PolarHBondContact O-N 2.88Å; V528-T530 PolarHBondContact O-OG1 3.3Å; T530-V532 PolarHBondContact O-N 3.47Å
531S31.7Very low37.3Very low127 Ų127117.6 Ų117.689%0.88873%0.725SS**  trans-69.444.4178.253.30000112.6G533S531-G533 PolarHBondContact O-N 3.23Å
532V34.4Very low38.8Very low110 Ų110115.7 Ų115.767%0.66770%0.703SS**  trans-75.190.6165.5-169.40000105.2T530 H534T530-V532 PolarHBondContact O-N 3.47Å; V532-H534 PolarHBondContact O-CD2 2.94Å; V532-H534 PolarHBondContact O-N 2.86Å
533G31.7Very low40.7Very low58 Ų58112.7 Ų112.760%0.59868%0.684SS**  trans-51.9104.417700000109S531 S535S531-G533 PolarHBondContact O-N 3.23Å; G533-S535 PolarHBondContact O-N 3.32Å
534H33.2Very low42.2Very low151 Ų151110.8 Ų110.870%0.69967%0.673SS**  trans-64.265.9163.7-75.2-87.8000108.5V532 L536 L537V532-H534 PolarHBondContact O-CD2 2.94Å; V532-H534 PolarHBondContact O-N 2.86Å; H534-L536 PolarHBondContact O-N 3.43Å; H534-L537 HydrophobicContact CB-CD1 4.24Å; H534-L537 HydrophobicContact CB-CG 4.49Å
535S38.6Very low44.2Very low112 Ų112111.3 Ų111.378%0.78367%0.665SS**THydrogen-bonded Turntrans-76.15.2175.6-62.50000112.1G533G533-S535 PolarHBondContact O-N 3.32Å
536L37.2Very low46.2Very low169 Ų169110.1 Ų110.189%0.88565%0.649SS**THydrogen-bonded Turntrans-109.91.9178.6-63.7-179.7000113.6H534 C538H534-L536 PolarHBondContact O-N 3.43Å; L536-C538 VanDerWaalsContact C-N 3.27Å; L536-C538 PolarHBondContact O-N 2.85Å
537L38.8Very low48.1Very low140 Ų140108.5 Ų108.573%0.73363%0.634SS**  trans-8979.1166.3-66.5176.1000108H534 S539H534-L537 HydrophobicContact CB-CD1 4.24Å; H534-L537 HydrophobicContact CB-CG 4.49Å; L537-S539 PolarHBondContact O-N 2.98Å
538C50.2Low50.3Low61 Ų61105.1 Ų105.141%0.41262%0.622SS.*  trans-54.2124.7163177.10000107.8L536 T542 H543L536-C538 VanDerWaalsContact C-N 3.27Å; L536-C538 PolarHBondContact O-N 2.85Å; C538-T542 WeakPolarHBondContact SG-CB 3.43Å; C538-T542 PolarHBondContact SG-OG1 3.35Å; C538-H543 VanDerWaalsContact SG-CA 3.51Å; C538-H543 PolarHBondContact SG-N 3.43Å
539S56.8Low52.6Low55 Ų55105.3 Ų105.339%0.38562%0.615SS.*  trans-52.6150.4173.677.70000110.1L537 M541 T542 H543L537-S539 PolarHBondContact O-N 2.98Å; S539-M541 PolarHBondContact O-N 2.66Å; S539-M541 VanDerWaalsContact O-N 3.1Å; S539-T542 WeakPolarHBondContact CA-OG1 3.41Å; S539-T542 WeakPolarHBondContact CB-OG1 3.44Å; S539-T542 PolarHBondContact N-OG1 3.28Å; S539-T542 PolarHBondContact O-N 3.11Å; S539-T542 PolarHBondContact O-OG1 3.25Å; S539-T542 PolarHBondContact OG-N 3.11Å; S539-T542 VanDerWaalsContact OG-N 3.1Å; S539-T542 PolarHBondContact OG-OG1 3.42Å; S539-H543 PolarHBondContact O-N 3.2Å
540P56Low54.7Low111 Ų111104.1 Ų104.172%0.72160%0.599SS**Hα-helixtrans-52-36.5177.2-27.134.2000112.4H543 C544P540-H543 PolarHBondContact O-N 3.08Å; P540-C544 PolarHBondContact O-N 3.41Å; P540-C544 PolarHBondContact O-SG 3.14Å; P540-C544 VanDerWaalsContact O-SG 3.33Å
541M64.9Low56.7Low144 Ų144101.4 Ų101.471%0.70959%0.587SS**Hα-helixtrans-65.4-46.9175.1-96.8-140.6168.100113.3S539 H543 C544 Q545S539-M541 PolarHBondContact O-N 2.66Å; S539-M541 VanDerWaalsContact O-N 3.1Å; M541-H543 VanDerWaalsContact C-N 3.25Å; M541-H543 PolarHBondContact O-N 3.1Å; M541-C544 PolarHBondContact O-N 3.49Å; M541-Q545 WeakPolarHBondContact O-CG 3.44Å; M541-Q545 PolarHBondContact O-N 3.01Å
542T63.8Low59Low55 Ų55100.5 Ų100.534%0.33757%0.572SS.*Hα-helixtrans-66.7-29.8178.339.30000111.7C538 S539 Q545 L546C538-T542 WeakPolarHBondContact SG-CB 3.43Å; C538-T542 PolarHBondContact SG-OG1 3.35Å; S539-T542 WeakPolarHBondContact CA-OG1 3.41Å; S539-T542 WeakPolarHBondContact CB-OG1 3.44Å; S539-T542 PolarHBondContact N-OG1 3.28Å; S539-T542 PolarHBondContact O-N 3.11Å; S539-T542 PolarHBondContact O-OG1 3.25Å; S539-T542 PolarHBondContact OG-N 3.11Å; S539-T542 VanDerWaalsContact OG-N 3.1Å; S539-T542 PolarHBondContact OG-OG1 3.42Å; T542-Q545 PolarHBondContact O-N 3.21Å; T542-L546 WeakPolarHBondContact O-CB 3.01Å; T542-L546 PolarHBondContact O-N 2.95Å
543H66.1Low61Low110 Ų110101 Ų10151%0.50957%0.57SS.*Hα-helixtrans-69.4-46.5175.7177.9-82.7000110.1C538 S539 P540 M541 Q545 L546 V547C538-H543 VanDerWaalsContact SG-CA 3.51Å; C538-H543 PolarHBondContact SG-N 3.43Å; S539-H543 PolarHBondContact O-N 3.2Å; P540-H543 PolarHBondContact O-N 3.08Å; M541-H543 VanDerWaalsContact C-N 3.25Å; M541-H543 PolarHBondContact O-N 3.1Å; H543-Q545 VanDerWaalsContact C-N 3.3Å; H543-Q545 PolarHBondContact O-N 3.46Å; H543-L546 PolarHBondContact O-N 3.45Å; H543-V547 VanDerWaalsContact CE1-CG2 3.45Å; H543-V547 WeakPolarHBondContact CE1-CG2 3.33Å; H543-V547 WeakPolarHBondContact O-CG2 3.19Å; H543-V547 PolarHBondContact O-N 3.2Å
544C66.1Low63Low75 Ų75102.8 Ų102.851%0.50757%0.566SS.*Hα-helixtrans-57.7-43.2174.1-69.80000111.8P540 M541 L546 V547 D548P540-C544 PolarHBondContact O-N 3.41Å; P540-C544 PolarHBondContact O-SG 3.14Å; P540-C544 VanDerWaalsContact O-SG 3.33Å; M541-C544 PolarHBondContact O-N 3.49Å; C544-L546 PolarHBondContact O-N 2.89Å; C544-V547 PolarHBondContact O-N 2.96Å; C544-D548 PolarHBondContact O-N 3.01Å
545Q73Confident64.8Low112 Ų11299.3 Ų99.352%0.52356%0.558SS.*Hα-helixtrans-61.8-41.2175.9-74.3177.2-10.600112.9M541 T542 H543 D548 Q549M541-Q545 WeakPolarHBondContact O-CG 3.44Å; M541-Q545 PolarHBondContact O-N 3.01Å; T542-Q545 PolarHBondContact O-N 3.21Å; H543-Q545 VanDerWaalsContact C-N 3.3Å; H543-Q545 PolarHBondContact O-N 3.46Å; Q545-D548 PolarHBondContact O-N 3.43Å; Q545-Q549 WeakPolarHBondContact O-CB 3.43Å; Q545-Q549 VanDerWaalsContact O-CG 3.31Å; Q545-Q549 WeakPolarHBondContact O-CG 3.39Å; Q545-Q549 PolarHBondContact O-N 3.22Å
546L71.3Confident66.4Low91 Ų9197.2 Ų97.248%0.47654%0.54SS..Hα-helixtrans-66.4-41.4177-110.9140.6000111.9T542 H543 C544 Q549 I550T542-L546 WeakPolarHBondContact O-CB 3.01Å; T542-L546 PolarHBondContact O-N 2.95Å; H543-L546 PolarHBondContact O-N 3.45Å; C544-L546 PolarHBondContact O-N 2.89Å; L546-Q549 PolarHBondContact O-N 3.38Å; L546-I550 HydrophobicContact CD2-CD1 4.41Å; L546-I550 WeakPolarHBondContact O-CB 3.48Å; L546-I550 VanDerWaalsContact O-CG1 3.24Å; L546-I550 WeakPolarHBondContact O-CG1 3.4Å; L546-I550 PolarHBondContact O-N 3.44Å
547V74.4Confident68.2Low69 Ų6993.6 Ų93.642%0.41852%0.522SS..Hα-helixtrans-63-44.5175.4171.80000110.9H543 C544 Q549 I550 A551H543-V547 VanDerWaalsContact CE1-CG2 3.45Å; H543-V547 WeakPolarHBondContact CE1-CG2 3.33Å; H543-V547 WeakPolarHBondContact O-CG2 3.19Å; H543-V547 PolarHBondContact O-N 3.2Å; C544-V547 PolarHBondContact O-N 2.96Å; V547-Q549 VanDerWaalsContact C-N 3.35Å; V547-Q549 PolarHBondContact O-N 3.03Å; V547-I550 PolarHBondContact O-N 3.28Å; V547-A551 WeakPolarHBondContact O-CB 3.37Å; V547-A551 PolarHBondContact O-N 3.11Å
548D76Confident69.9Low114 Ų11492.6 Ų92.661%0.6151%0.513SS*.Hα-helixtrans-63.6-40.4176-78.2-16.4000111.8C544 Q545 A551 N552C544-D548 PolarHBondContact O-N 3.01Å; Q545-D548 PolarHBondContact O-N 3.43Å; D548-A551 PolarHBondContact O-N 3.3Å; D548-N552 VanDerWaalsContact O-CB 3.31Å; D548-N552 WeakPolarHBondContact O-CB 3.39Å; D548-N552 PolarHBondContact O-N 2.94Å
549Q79.4Confident71.2Confident122 Ų12293 Ų9357%0.5752%0.517SS*.Hα-helixtrans-63.3-43.1174.7-79.6-177.9-3.600112Q545 L546 V547 N552 L553Q545-Q549 WeakPolarHBondContact O-CB 3.43Å; Q545-Q549 VanDerWaalsContact O-CG 3.31Å; Q545-Q549 WeakPolarHBondContact O-CG 3.39Å; Q545-Q549 PolarHBondContact O-N 3.22Å; L546-Q549 PolarHBondContact O-N 3.38Å; V547-Q549 VanDerWaalsContact C-N 3.35Å; V547-Q549 PolarHBondContact O-N 3.03Å; Q549-N552 PolarHBondContact O-N 2.63Å; Q549-L553 WeakPolarHBondContact O-CB 3.42Å; Q549-L553 VanDerWaalsContact O-CG 3.3Å; Q549-L553 WeakPolarHBondContact O-CG 3.33Å; Q549-L553 PolarHBondContact O-N 3.49Å
550I72.9Confident71.8Confident93 Ų9394.1 Ų94.148%0.47752%0.521SS..Hα-helixtrans-64-43.1176.3-70.3165.5000110.3L546 V547 N552 L553 N554L546-I550 HydrophobicContact CD2-CD1 4.41Å; L546-I550 WeakPolarHBondContact O-CB 3.48Å; L546-I550 VanDerWaalsContact O-CG1 3.24Å; L546-I550 WeakPolarHBondContact O-CG1 3.4Å; L546-I550 PolarHBondContact O-N 3.44Å; V547-I550 PolarHBondContact O-N 3.28Å; I550-N552 PolarHBondContact O-N 3.26Å; I550-L553 PolarHBondContact O-N 2.81Å; I550-N554 WeakPolarHBondContact O-CB 3.4Å; I550-N554 PolarHBondContact O-N 3.01Å
551A74.1Confident72.7Confident50 Ų5094.2 Ų94.241%0.41351%0.512SS..Hα-helixtrans-61.3-44.5176.300000111.3V547 D548 N554 C555V547-A551 WeakPolarHBondContact O-CB 3.37Å; V547-A551 PolarHBondContact O-N 3.11Å; D548-A551 PolarHBondContact O-N 3.3Å; A551-N554 PolarHBondContact O-N 3.09Å; A551-C555 PolarHBondContact O-N 3.46Å; A551-C555 PolarHBondContact O-SG 3.21Å; A551-C555 VanDerWaalsContact O-SG 3.38Å
552N80.8Confident73.2Confident109 Ų10991.7 Ų91.758%0.58350%0.501SS*.Hα-helixtrans-67.7-40.2179.4-15916.9000112.1D548 Q549 I550 C555 T556D548-N552 VanDerWaalsContact O-CB 3.31Å; D548-N552 WeakPolarHBondContact O-CB 3.39Å; D548-N552 PolarHBondContact O-N 2.94Å; Q549-N552 PolarHBondContact O-N 2.63Å; I550-N552 PolarHBondContact O-N 3.26Å; N552-C555 PolarHBondContact O-N 2.92Å; N552-T556 WeakPolarHBondContact O-CB 3.28Å; N552-T556 PolarHBondContact O-N 2.92Å; N552-T556 PolarHBondContact O-OG1 3.4Å
553L76Confident73.9Confident119 Ų11992.6 Ų92.662%0.62351%0.51SS*.Hα-helixtrans-63.1-42173.1-77.7168.7000111.7Q549 I550 T556 L557Q549-L553 WeakPolarHBondContact O-CB 3.42Å; Q549-L553 VanDerWaalsContact O-CG 3.3Å; Q549-L553 WeakPolarHBondContact O-CG 3.33Å; Q549-L553 PolarHBondContact O-N 3.49Å; I550-L553 PolarHBondContact O-N 2.81Å; L553-T556 PolarHBondContact O-N 3.34Å; L553-L557 WeakPolarHBondContact O-CB 3.21Å; L553-L557 PolarHBondContact O-N 3.04Å
554N73.9Confident74.5Confident96 Ų9692 Ų9251%0.51351%0.507SS..Hα-helixtrans-62-46.8174.5-95.1-19.3000111.5I550 A551 T556 L557 Q558I550-N554 WeakPolarHBondContact O-CB 3.4Å; I550-N554 PolarHBondContact O-N 3.01Å; A551-N554 PolarHBondContact O-N 3.09Å; N554-T556 VanDerWaalsContact C-N 3.28Å; N554-T556 PolarHBondContact O-N 2.92Å; N554-L557 PolarHBondContact O-N 3.37Å; N554-Q558 WeakPolarHBondContact O-CB 3.35Å; N554-Q558 PolarHBondContact O-N 3.35Å
555C71.1Confident75.2Confident78 Ų7893.4 Ų93.453%0.52751%0.509SS..Hα-helixtrans-59.2-39.5174.9-73.10000112.2A551 N552 S559A551-C555 PolarHBondContact O-N 3.46Å; A551-C555 PolarHBondContact O-SG 3.21Å; A551-C555 VanDerWaalsContact O-SG 3.38Å; N552-C555 PolarHBondContact O-N 2.92Å; C555-S559 WeakPolarHBondContact O-CB 3.47Å; C555-S559 PolarHBondContact O-N 2.91Å
556T72.4Confident75.5Confident68 Ų6892.9 Ų92.942%0.41751%0.51SS..Hα-helixtrans-69-42.5177.8-50.30000111.2N552 L553 N554 Q558 S559 V560N552-T556 WeakPolarHBondContact O-CB 3.28Å; N552-T556 PolarHBondContact O-N 2.92Å; N552-T556 PolarHBondContact O-OG1 3.4Å; L553-T556 PolarHBondContact O-N 3.34Å; N554-T556 VanDerWaalsContact C-N 3.28Å; N554-T556 PolarHBondContact O-N 2.92Å; T556-Q558 VanDerWaalsContact C-N 3.35Å; T556-S559 PolarHBondContact O-N 3.41Å; T556-S559 PolarHBondContact O-OG 2.86Å; T556-V560 VanDerWaalsContact O-CG2 3.29Å; T556-V560 WeakPolarHBondContact O-CG2 3.5Å; T556-V560 PolarHBondContact O-N 2.93Å
557L74.7Confident76.1Confident93 Ų9394.7 Ų94.749%0.48752%0.516SS..Hα-helixtrans-63.4-43176.7-176.467.5000111.1L553 N554 V560 Q561L553-L557 WeakPolarHBondContact O-CB 3.21Å; L553-L557 PolarHBondContact O-N 3.04Å; N554-L557 PolarHBondContact O-N 3.37Å; L557-V560 PolarHBondContact O-N 3.13Å; L557-Q561 WeakPolarHBondContact O-CB 3.48Å; L557-Q561 WeakPolarHBondContact O-CG 3.44Å; L557-Q561 PolarHBondContact O-N 3.21Å
558Q73.9Confident76.3Confident119 Ų11996.7 Ų96.756%0.55652%0.519SS*.Hα-helixtrans-63.2-44.5177-127.7166.3-10.300111.1N554 T556 V560 Q561 D562N554-Q558 WeakPolarHBondContact O-CB 3.35Å; N554-Q558 PolarHBondContact O-N 3.35Å; T556-Q558 VanDerWaalsContact C-N 3.35Å; Q558-V560 VanDerWaalsContact C-N 3.34Å; Q558-V560 PolarHBondContact O-N 3.33Å; Q558-Q561 PolarHBondContact O-N 3.08Å; Q558-D562 WeakPolarHBondContact O-CB 3.28Å; Q558-D562 VanDerWaalsContact O-CG 3.3Å; Q558-D562 PolarHBondContact O-N 3.02Å
559S76.9Confident76.4Confident70 Ų7094 Ų9449%0.4951%0.507SS..Hα-helixtrans-65.8-35.8178.475.70000113C555 T556 S563C555-S559 WeakPolarHBondContact O-CB 3.47Å; C555-S559 PolarHBondContact O-N 2.91Å; T556-S559 PolarHBondContact O-N 3.41Å; T556-S559 PolarHBondContact O-OG 2.86Å; S559-S563 VanDerWaalsContact O-CB 3.24Å; S559-S563 WeakPolarHBondContact O-CB 3.47Å; S559-S563 PolarHBondContact O-N 3.47Å
560V71.2Confident76.6Confident78 Ų7891.8 Ų91.847%0.47350%0.502SS..Hα-helixtrans-69.6-44.5174.5173.30000110.9T556 L557 Q558 S563 E564T556-V560 VanDerWaalsContact O-CG2 3.29Å; T556-V560 WeakPolarHBondContact O-CG2 3.5Å; T556-V560 PolarHBondContact O-N 2.93Å; L557-V560 PolarHBondContact O-N 3.13Å; Q558-V560 VanDerWaalsContact C-N 3.34Å; Q558-V560 PolarHBondContact O-N 3.33Å; V560-S563 PolarHBondContact O-N 3.47Å; V560-E564 WeakPolarHBondContact O-CB 3.4Å; V560-E564 PolarHBondContact O-N 3.15Å
561Q73.9Confident77.2Confident114 Ų11491.1 Ų91.153%0.53350%0.498SS..Hα-helixtrans-62-44.8176.5-79.4-179.1-24.700111.6L557 Q558 S563 E564 L565L557-Q561 WeakPolarHBondContact O-CB 3.48Å; L557-Q561 WeakPolarHBondContact O-CG 3.44Å; L557-Q561 PolarHBondContact O-N 3.21Å; Q558-Q561 PolarHBondContact O-N 3.08Å; Q561-S563 VanDerWaalsContact C-N 3.34Å; Q561-S563 PolarHBondContact O-N 3.18Å; Q561-E564 PolarHBondContact O-N 3.01Å; Q561-L565 WeakPolarHBondContact O-CB 3.32Å; Q561-L565 PolarHBondContact O-N 3.41Å
562D75.4Confident77.4Confident90 Ų9094.2 Ų94.248%0.48151%0.507SS..Hα-helixtrans-64.6-39.5177.4-73.3-23.4000111.3Q558 N566Q558-D562 WeakPolarHBondContact O-CB 3.28Å; Q558-D562 VanDerWaalsContact O-CG 3.3Å; Q558-D562 PolarHBondContact O-N 3.02Å; D562-N566 WeakPolarHBondContact O-CB 3.31Å; D562-N566 PolarHBondContact O-N 3.02Å; D562-N566 PolarHBondContact O-ND2 3.35Å
563S78.4Confident77.6Confident75 Ų7594.8 Ų94.852%0.52451%0.506SS..Hα-helixtrans-63.9-51.3175.5-179.70000112.1S559 V560 Q561 L565 N566 Q567S559-S563 VanDerWaalsContact O-CB 3.24Å; S559-S563 WeakPolarHBondContact O-CB 3.47Å; S559-S563 PolarHBondContact O-N 3.47Å; V560-S563 PolarHBondContact O-N 3.47Å; Q561-S563 VanDerWaalsContact C-N 3.34Å; Q561-S563 PolarHBondContact O-N 3.18Å; S563-L565 PolarHBondContact O-N 3.34Å; S563-N566 PolarHBondContact O-N 3.11Å; S563-Q567 WeakPolarHBondContact O-CB 3.22Å; S563-Q567 PolarHBondContact O-N 3.41Å
564E78.8Confident78Confident96 Ų9695.3 Ų95.345%0.44951%0.506SS..Hα-helixtrans-69-36.6-177.3-152.7-166.4149.400111.7V560 Q561 Q567 K568V560-E564 WeakPolarHBondContact O-CB 3.4Å; V560-E564 PolarHBondContact O-N 3.15Å; Q561-E564 PolarHBondContact O-N 3.01Å; E564-Q567 PolarHBondContact O-N 3.45Å; E564-K568 WeakPolarHBondContact O-CG 3.15Å; E564-K568 PolarHBondContact O-N 3.14Å; E564-K568 WeakPolarHBondContact OE1-CE 3.28Å; E564-K568 IonicContact OE1-NZ 2.77Å; E564-K568 PolarHBondContact OE1-NZ 2.66Å
565L80.5Confident78.6Confident105 Ų10597.2 Ų97.255%0.5551%0.509SS..Hα-helixtrans-66.9-46.4174.1-168.277.5000110.7Q561 S563 Q567 K568 V569Q561-L565 WeakPolarHBondContact O-CB 3.32Å; Q561-L565 PolarHBondContact O-N 3.41Å; S563-L565 PolarHBondContact O-N 3.34Å; L565-Q567 VanDerWaalsContact C-N 3.29Å; L565-Q567 PolarHBondContact O-N 2.86Å; L565-K568 PolarHBondContact O-N 2.99Å; L565-V569 WeakPolarHBondContact O-CB 3.35Å; L565-V569 VanDerWaalsContact O-CG2 3.27Å; L565-V569 WeakPolarHBondContact O-CG2 3.49Å; L565-V569 PolarHBondContact O-N 3.43Å
566N80.8Confident79.4Confident102 Ų10298.6 Ų98.655%0.54551%0.511SS..Hα-helixtrans-59.8-41.2176-80.7-35.4000111.4D562 S563 K568 V569 V570D562-N566 WeakPolarHBondContact O-CB 3.31Å; D562-N566 PolarHBondContact O-N 3.02Å; D562-N566 PolarHBondContact O-ND2 3.35Å; S563-N566 PolarHBondContact O-N 3.11Å; N566-K568 PolarHBondContact O-N 2.99Å; N566-V569 PolarHBondContact O-N 3.31Å; N566-V570 WeakPolarHBondContact O-CG2 3.45Å; N566-V570 PolarHBondContact O-N 3.29Å
567Q82.2Confident80.1Confident128 Ų12899.7 Ų99.760%0.59851%0.514SS*.Hα-helixtrans-64.2-42177.4-150.1174.51300111.8S563 E564 L565 V570 I571S563-Q567 WeakPolarHBondContact O-CB 3.22Å; S563-Q567 PolarHBondContact O-N 3.41Å; E564-Q567 PolarHBondContact O-N 3.45Å; L565-Q567 VanDerWaalsContact C-N 3.29Å; L565-Q567 PolarHBondContact O-N 2.86Å; Q567-V570 PolarHBondContact O-N 3.15Å; Q567-I571 WeakPolarHBondContact O-CG1 3.4Å; Q567-I571 PolarHBondContact O-N 2.97Å; Q567-I571 VanDerWaalsContact O-N 3.14Å
568K79.3Confident80.6Confident111 Ų11198 Ų9848%0.48351%0.513SS..Hα-helixtrans-65.3-39.5174.1-74.6172.1-173.5160.70112.2E564 L565 N566 I571 L572E564-K568 WeakPolarHBondContact O-CG 3.15Å; E564-K568 PolarHBondContact O-N 3.14Å; E564-K568 WeakPolarHBondContact OE1-CE 3.28Å; E564-K568 IonicContact OE1-NZ 2.77Å; E564-K568 PolarHBondContact OE1-NZ 2.66Å; L565-K568 PolarHBondContact O-N 2.99Å; N566-K568 PolarHBondContact O-N 2.99Å; K568-I571 PolarHBondContact O-N 3.18Å; K568-L572 WeakPolarHBondContact O-CB 3.46Å; K568-L572 VanDerWaalsContact O-CG 3.31Å; K568-L572 WeakPolarHBondContact O-CG 3.27Å; K568-L572 PolarHBondContact O-N 3.36Å
569V78.6Confident81.1Confident59 Ų5998.7 Ų98.736%0.35852%0.516SS..Hα-helixtrans-63.6-43.6177.1169.20000111L565 N566 L572 Q573L565-V569 WeakPolarHBondContact O-CB 3.35Å; L565-V569 VanDerWaalsContact O-CG2 3.27Å; L565-V569 WeakPolarHBondContact O-CG2 3.49Å; L565-V569 PolarHBondContact O-N 3.43Å; N566-V569 PolarHBondContact O-N 3.31Å; V569-L572 PolarHBondContact O-N 3.24Å; V569-Q573 HydrophobicContact CG1-CG 4.45Å; V569-Q573 WeakPolarHBondContact O-CG 3.49Å; V569-Q573 PolarHBondContact O-N 2.96Å
570V83.8Confident81.3Confident75 Ų7598.8 Ų98.846%0.45551%0.514SS..Hα-helixtrans-60.7-46.7176.1171.30000111N566 Q567 L572 Q573 E574N566-V570 WeakPolarHBondContact O-CG2 3.45Å; N566-V570 PolarHBondContact O-N 3.29Å; Q567-V570 PolarHBondContact O-N 3.15Å; V570-L572 VanDerWaalsContact C-N 3.3Å; V570-L572 PolarHBondContact O-N 3.48Å; V570-Q573 PolarHBondContact O-N 3.41Å; V570-E574 PolarHBondContact O-N 3.14Å
571I84.5Confident82Confident78 Ų78102.9 Ų102.940%0.452%0.521SS..Hα-helixtrans-61.2-39.9177-66.9166000111.4Q567 K568 E574 K575Q567-I571 WeakPolarHBondContact O-CG1 3.4Å; Q567-I571 PolarHBondContact O-N 2.97Å; Q567-I571 VanDerWaalsContact O-N 3.14Å; K568-I571 PolarHBondContact O-N 3.18Å; I571-E574 PolarHBondContact O-N 2.86Å; I571-K575 HydrophobicContact CG2-CD 4.4Å; I571-K575 WeakPolarHBondContact O-CG 3.47Å; I571-K575 PolarHBondContact O-N 2.84Å
572L78.4Confident82.6Confident115 Ų115102.2 Ų102.260%0.60252%0.52SS*.Hα-helixtrans-68-38.5176.9-74.6170.9000112K568 V569 V570 K575 L576K568-L572 WeakPolarHBondContact O-CB 3.46Å; K568-L572 VanDerWaalsContact O-CG 3.31Å; K568-L572 WeakPolarHBondContact O-CG 3.27Å; K568-L572 PolarHBondContact O-N 3.36Å; V569-L572 PolarHBondContact O-N 3.24Å; V570-L572 VanDerWaalsContact C-N 3.3Å; V570-L572 PolarHBondContact O-N 3.48Å; L572-K575 PolarHBondContact O-N 3.02Å; L572-L576 VanDerWaalsContact O-CB 3.32Å; L572-L576 WeakPolarHBondContact O-CB 3.39Å; L572-L576 PolarHBondContact O-N 3.42Å
573Q84.4Confident83Confident122 Ų122102.9 Ų102.957%0.5752%0.523SS*.Hα-helixtrans-63.1-41.8174.5-77.6177.1-15.600111.6V569 V570 L576 L577V569-Q573 HydrophobicContact CG1-CG 4.45Å; V569-Q573 WeakPolarHBondContact O-CG 3.49Å; V569-Q573 PolarHBondContact O-N 2.96Å; V570-Q573 PolarHBondContact O-N 3.41Å; Q573-L576 PolarHBondContact O-N 3.05Å; Q573-L577 VanDerWaalsContact O-CB 3.28Å; Q573-L577 WeakPolarHBondContact O-CB 3.37Å; Q573-L577 PolarHBondContact O-N 3.41Å
574E84.5Confident83.5Confident130 Ų130103 Ų10361%0.60752%0.518SS*.Hα-helixtrans-63.1-44.1174.7-73-177.2161.300112.2V570 I571 L577 A578V570-E574 PolarHBondContact O-N 3.14Å; I571-E574 PolarHBondContact O-N 2.86Å; E574-L577 PolarHBondContact O-N 3.28Å; E574-A578 WeakPolarHBondContact O-CB 3.35Å; E574-A578 PolarHBondContact O-N 3.03Å
575K88Confident83.9Confident135 Ų135103.2 Ų103.259%0.58752%0.522SS*.Hα-helixtrans-63.6-42.3176.1-75.9-179.5178.5-177.80112.2I571 L572 L577 A578 Q579I571-K575 HydrophobicContact CG2-CD 4.4Å; I571-K575 WeakPolarHBondContact O-CG 3.47Å; I571-K575 PolarHBondContact O-N 2.84Å; L572-K575 PolarHBondContact O-N 3.02Å; K575-L577 VanDerWaalsContact C-N 3.35Å; K575-A578 PolarHBondContact O-N 3.42Å; K575-Q579 PolarHBondContact O-N 3.45Å
576L86.1Confident84.1Confident107 Ų107104.9 Ų104.956%0.5653%0.525SS*.Hα-helixtrans-61.9-45.7176.2-178.165.2000110.4L572 Q573 A578 Q579 T580L572-L576 VanDerWaalsContact O-CB 3.32Å; L572-L576 WeakPolarHBondContact O-CB 3.39Å; L572-L576 PolarHBondContact O-N 3.42Å; Q573-L576 PolarHBondContact O-N 3.05Å; L576-A578 VanDerWaalsContact C-N 3.31Å; L576-A578 PolarHBondContact O-N 2.96Å; L576-Q579 PolarHBondContact O-N 3.11Å; L576-Q579 VanDerWaalsContact O-N 3.14Å; L576-T580 PolarHBondContact O-N 3.46Å; L576-T580 PolarHBondContact O-OG1 2.92Å
577L86.9Confident84.3Confident92 Ų92107.7 Ų107.748%0.48253%0.528SS..Hα-helixtrans-63.5-36.9178.3-168142.6000112.1Q573 E574 K575 T580 R581Q573-L577 VanDerWaalsContact O-CB 3.28Å; Q573-L577 WeakPolarHBondContact O-CB 3.37Å; Q573-L577 PolarHBondContact O-N 3.41Å; E574-L577 PolarHBondContact O-N 3.28Å; K575-L577 VanDerWaalsContact C-N 3.35Å; L577-T580 PolarHBondContact O-N 2.94Å; L577-R581 WeakPolarHBondContact O-CG 3.33Å; L577-R581 PolarHBondContact O-N 3.38Å; L577-R581 VanDerWaalsContact O-N 3.1Å
578A86.3Confident84.6Confident56 Ų56107.6 Ų107.646%0.46353%0.528SS..Hα-helixtrans-65-41.7172.100000112.5E574 K575 L576 R581 L582E574-A578 WeakPolarHBondContact O-CB 3.35Å; E574-A578 PolarHBondContact O-N 3.03Å; K575-A578 PolarHBondContact O-N 3.42Å; L576-A578 VanDerWaalsContact C-N 3.31Å; L576-A578 PolarHBondContact O-N 2.96Å; A578-R581 PolarHBondContact O-N 3.5Å; A578-L582 PolarHBondContact O-N 3.21Å; A578-L582 VanDerWaalsContact O-N 3.08Å
579Q83.5Confident84.9Confident135 Ų135105.1 Ų105.163%0.63153%0.528SS*.Hα-helixtrans-64.6-41.1174.9-77.7-171.6-29.900112.3K575 L576 R581 L582 L583K575-Q579 PolarHBondContact O-N 3.45Å; L576-Q579 PolarHBondContact O-N 3.11Å; L576-Q579 VanDerWaalsContact O-N 3.14Å; Q579-R581 VanDerWaalsContact C-N 3.34Å; Q579-R581 PolarHBondContact O-N 3.49Å; Q579-L582 WeakPolarHBondContact O-CB 3.32Å; Q579-L582 PolarHBondContact O-N 2.74Å; Q579-L583 PolarHBondContact O-N 3.49Å
580T82.9Confident85.4Confident71 Ų71108.6 Ų108.644%0.43654%0.538SS..Hα-helixtrans-61.6-42.8176.3-53.60000111.4L576 L577 L582 L583 D584L576-T580 PolarHBondContact O-N 3.46Å; L576-T580 PolarHBondContact O-OG1 2.92Å; L577-T580 PolarHBondContact O-N 2.94Å; T580-L582 VanDerWaalsContact C-N 3.33Å; T580-L582 PolarHBondContact O-N 3.36Å; T580-L583 WeakPolarHBondContact O-CB 3.37Å; T580-L583 PolarHBondContact O-N 2.84Å; T580-D584 PolarHBondContact O-N 3.17Å
581R85.6Confident85.6Confident164 Ų164107.9 Ų107.962%0.61953%0.532SS*.Hα-helixtrans-61.4-40174.4-74.5178.2-177.8164.51.3112.7L577 A578 Q579 L583 D584 N585L577-R581 WeakPolarHBondContact O-CG 3.33Å; L577-R581 PolarHBondContact O-N 3.38Å; L577-R581 VanDerWaalsContact O-N 3.1Å; A578-R581 PolarHBondContact O-N 3.5Å; Q579-R581 VanDerWaalsContact C-N 3.34Å; Q579-R581 PolarHBondContact O-N 3.49Å; R581-L583 VanDerWaalsContact C-N 3.33Å; R581-D584 PolarHBondContact O-N 3.02Å; R581-N585 PolarHBondContact O-N 3.38Å; R581-N585 VanDerWaalsContact O-N 3.07Å
582L86.3Confident85.8Confident100 Ų100109.9 Ų109.952%0.52454%0.538SS..Hα-helixtrans-61.8-43.7175.7-172.181.9000110.9A578 Q579 T580 D584 N585 F586A578-L582 PolarHBondContact O-N 3.21Å; A578-L582 VanDerWaalsContact O-N 3.08Å; Q579-L582 WeakPolarHBondContact O-CB 3.32Å; Q579-L582 PolarHBondContact O-N 2.74Å; T580-L582 VanDerWaalsContact C-N 3.33Å; T580-L582 PolarHBondContact O-N 3.36Å; L582-D584 PolarHBondContact O-N 2.88Å; L582-N585 WeakPolarHBondContact O-CB 3.41Å; L582-N585 PolarHBondContact O-N 3.35Å; L582-F586 HydrophobicContact CD1-CE2 4.24Å; L582-F586 HydrophobicContact CD2-CE2 4.06Å; L582-F586 HydrophobicContact CG-CD2 4.07Å; L582-F586 HydrophobicContact CG-CE2 3.84Å; L582-F586 VanDerWaalsContact O-CD2 3.29Å; L582-F586 WeakPolarHBondContact O-CD2 3.05Å; L582-F586 PolarHBondContact O-N 2.94Å
583L84Confident86.2Confident105 Ų105109.6 Ų109.655%0.5554%0.536SS..Hα-helixtrans-62.7-41.9178.6-164.774.4000111.7Q579 T580 R581 N585 F586 R587Q579-L583 PolarHBondContact O-N 3.49Å; T580-L583 WeakPolarHBondContact O-CB 3.37Å; T580-L583 PolarHBondContact O-N 2.84Å; R581-L583 VanDerWaalsContact C-N 3.33Å; L583-N585 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 3.27Å; L583-F586 PolarHBondContact O-N 3.16Å; L583-R587 WeakPolarHBondContact O-CB 3.49Å; L583-R587 PolarHBondContact O-N 2.97Å
584D87.7Confident86.3Confident76 Ų76106.9 Ų106.941%0.40653%0.526SS..Hα-helixtrans-63.4-38.7175.5-84.4-26.1000112.4T580 R581 L582 R587 Q588T580-D584 PolarHBondContact O-N 3.17Å; R581-D584 PolarHBondContact O-N 3.02Å; L582-D584 PolarHBondContact O-N 2.88Å; D584-R587 PolarHBondContact O-N 3.38Å; D584-Q588 WeakPolarHBondContact O-CG 3.45Å; D584-Q588 PolarHBondContact O-N 3.16Å
585N88Confident86.4Confident101 Ų101108.2 Ų108.254%0.5453%0.525SS..Hα-helixtrans-62.7-43.5174.4-71.4-16.9000111.7R581 L582 L583 R587 Q588 A589R581-N585 PolarHBondContact O-N 3.38Å; R581-N585 VanDerWaalsContact O-N 3.07Å; L582-N585 WeakPolarHBondContact O-CB 3.41Å; L582-N585 PolarHBondContact O-N 3.35Å; L583-N585 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 3.27Å; N585-R587 VanDerWaalsContact C-N 3.34Å; N585-Q588 PolarHBondContact O-N 3.4Å; N585-A589 WeakPolarHBondContact O-CB 3.38Å; N585-A589 PolarHBondContact O-N 3.29Å
586F84.1Confident86.3Confident140 Ų140106.4 Ų106.461%0.61452%0.519SS*.Hα-helixtrans-62.3-42.2174.5-84.7-66.7000111.9L582 L583 A589 F590L582-F586 HydrophobicContact CD1-CE2 4.24Å; L582-F586 HydrophobicContact CD2-CE2 4.06Å; L582-F586 HydrophobicContact CG-CD2 4.07Å; L582-F586 HydrophobicContact CG-CE2 3.84Å; L582-F586 VanDerWaalsContact O-CD2 3.29Å; L582-F586 WeakPolarHBondContact O-CD2 3.05Å; L582-F586 PolarHBondContact O-N 2.94Å; L583-F586 PolarHBondContact O-N 3.16Å; F586-A589 PolarHBondContact O-N 2.93Å; F586-F590 WeakPolarHBondContact O-CB 3.44Å; F586-F590 PolarHBondContact O-N 2.98Å
587R85.8Confident86.1Confident161 Ų161107.4 Ų107.461%0.60852%0.516SS*.Hα-helixtrans-61.1-45.7177.1-176.3171.7176-120.6-6111.7L583 D584 N585 A589 F590 D591L583-R587 WeakPolarHBondContact O-CB 3.49Å; L583-R587 PolarHBondContact O-N 2.97Å; D584-R587 PolarHBondContact O-N 3.38Å; N585-R587 VanDerWaalsContact C-N 3.34Å; R587-A589 PolarHBondContact O-N 3.46Å; R587-F590 PolarHBondContact O-N 3.48Å; R587-D591 WeakPolarHBondContact O-CB 3.12Å; R587-D591 PolarHBondContact O-N 3.3Å
588Q87.1Confident85.9Confident127 Ų127107.1 Ų107.159%0.59351%0.512SS*.Hα-helixtrans-63.4-40.3176.3-72179.418.700112.6D584 N585 D591 K592D584-Q588 WeakPolarHBondContact O-CG 3.45Å; D584-Q588 PolarHBondContact O-N 3.16Å; N585-Q588 PolarHBondContact O-N 3.4Å; Q588-D591 PolarHBondContact O-N 3.41Å; Q588-K592 WeakPolarHBondContact O-CB 3.24Å; Q588-K592 PolarHBondContact O-N 3.45Å
589A86.3Confident85.7Confident58 Ų58106.6 Ų106.648%0.47951%0.508SS..Hα-helixtrans-63.5-42.8175.600000111.5N585 F586 R587 K592 L593N585-A589 WeakPolarHBondContact O-CB 3.38Å; N585-A589 PolarHBondContact O-N 3.29Å; F586-A589 PolarHBondContact O-N 2.93Å; R587-A589 PolarHBondContact O-N 3.46Å; A589-K592 PolarHBondContact O-N 3.44Å; A589-L593 PolarHBondContact O-N 3.47Å
590F88.8Confident85.6Confident132 Ų132105.4 Ų105.458%0.57951%0.505SS*.Hα-helixtrans-63.6-45.5175.9-171.2-91.6000111.8F586 R587 K592 L593 N594F586-F590 WeakPolarHBondContact O-CB 3.44Å; F586-F590 PolarHBondContact O-N 2.98Å; R587-F590 PolarHBondContact O-N 3.48Å; F590-K592 VanDerWaalsContact C-N 3.27Å; F590-K592 PolarHBondContact O-N 2.95Å; F590-L593 PolarHBondContact O-N 2.88Å; F590-N594 WeakPolarHBondContact O-CB 3.4Å; F590-N594 PolarHBondContact O-N 3.33Å
591D87.4Confident85.3Confident60 Ų60105.3 Ų105.332%0.32150%0.501SS..Hα-helixtrans-62-35.9176.9-75.1-22.2000111.8R587 Q588 R595R587-D591 WeakPolarHBondContact O-CB 3.12Å; R587-D591 PolarHBondContact O-N 3.3Å; Q588-D591 PolarHBondContact O-N 3.41Å; D591-R595 WeakPolarHBondContact O-CG 3.39Å; D591-R595 PolarHBondContact O-N 2.88Å
592K89.5Confident85Confident121 Ų121104.4 Ų104.453%0.52650%0.504SS..Hα-helixtrans-64.7-49.8173.6-174.7-175.2174.2-170.70111.4Q588 A589 F590 N594 R595 E596Q588-K592 WeakPolarHBondContact O-CB 3.24Å; Q588-K592 PolarHBondContact O-N 3.45Å; A589-K592 PolarHBondContact O-N 3.44Å; F590-K592 VanDerWaalsContact C-N 3.27Å; F590-K592 PolarHBondContact O-N 2.95Å; K592-N594 VanDerWaalsContact C-N 3.28Å; K592-N594 PolarHBondContact O-N 2.98Å; K592-R595 WeakPolarHBondContact O-CB 3.39Å; K592-R595 PolarHBondContact O-N 3.32Å; K592-E596 VanDerWaalsContact CE-OE1 3.3Å; K592-E596 WeakPolarHBondContact CE-OE1 3.39Å; K592-E596 PolarHBondContact O-N 3.39Å
593L87.3Confident84.9Confident108 Ų108104.4 Ų104.457%0.56550%0.504SS*.Hα-helixtrans-60.2-41.4178.6-167.977.7000111.2A589 F590 R595 E596 Y597A589-L593 PolarHBondContact O-N 3.47Å; F590-L593 PolarHBondContact O-N 2.88Å; L593-R595 VanDerWaalsContact C-N 3.34Å; L593-R595 PolarHBondContact O-N 3.49Å; L593-E596 PolarHBondContact O-N 3.31Å; L593-Y597 WeakPolarHBondContact O-CB 3.34Å; L593-Y597 PolarHBondContact O-N 3.5Å
594N85.5Confident84.6Confident65 Ų65104.3 Ų104.335%0.34850%0.499SS..Hα-helixtrans-65.2-37.8178.4-163.626.3000111.6F590 K592 Y597 Q598F590-N594 WeakPolarHBondContact O-CB 3.4Å; F590-N594 PolarHBondContact O-N 3.33Å; K592-N594 VanDerWaalsContact C-N 3.28Å; K592-N594 PolarHBondContact O-N 2.98Å; N594-Y597 PolarHBondContact O-N 3.42Å; N594-Q598 WeakPolarHBondContact O-CB 3.29Å; N594-Q598 VanDerWaalsContact O-CG 3.25Å; N594-Q598 WeakPolarHBondContact O-CG 3.36Å; N594-Q598 PolarHBondContact O-N 3.37Å
595R86.7Confident84Confident159 Ų159103.6 Ų103.660%0.650%0.499SS*.Hα-helixtrans-63.2-42.5172.3-76.1-172.1-62.3-94.82112.5D591 K592 L593 Q598 A599D591-R595 WeakPolarHBondContact O-CG 3.39Å; D591-R595 PolarHBondContact O-N 2.88Å; K592-R595 WeakPolarHBondContact O-CB 3.39Å; K592-R595 PolarHBondContact O-N 3.32Å; L593-R595 VanDerWaalsContact C-N 3.34Å; L593-R595 PolarHBondContact O-N 3.49Å; R595-Q598 PolarHBondContact O-N 2.83Å; R595-A599 PolarHBondContact O-N 3.47Å
596E85.6Confident83.4Confident97 Ų97105.2 Ų105.245%0.45350%0.503SS..Hα-helixtrans-63.2-44.1176.2-72.1174.7-170.200111.3K592 L593 Q598 A599 I600K592-E596 VanDerWaalsContact CE-OE1 3.3Å; K592-E596 WeakPolarHBondContact CE-OE1 3.39Å; K592-E596 PolarHBondContact O-N 3.39Å; L593-E596 PolarHBondContact O-N 3.31Å; E596-Q598 PolarHBondContact O-N 3.27Å; E596-A599 WeakPolarHBondContact O-CB 3.48Å; E596-A599 PolarHBondContact O-N 3.11Å; E596-I600 WeakPolarHBondContact O-CG1 3.4Å; E596-I600 PolarHBondContact O-N 2.99Å
597Y82.1Confident82.7Confident127 Ų127103.2 Ų103.250%0.49850%0.498SS..Hα-helixtrans-59.9-44.6175.1179.1-105.7000112.4L593 N594 A599 I600 L601L593-Y597 WeakPolarHBondContact O-CB 3.34Å; L593-Y597 PolarHBondContact O-N 3.5Å; N594-Y597 PolarHBondContact O-N 3.42Å; Y597-A599 VanDerWaalsContact C-N 3.34Å; Y597-A599 PolarHBondContact O-N 2.79Å; Y597-I600 PolarHBondContact O-N 3.01Å; Y597-L601 HydrophobicContact CD1-CD1 3.86Å; Y597-L601 HydrophobicContact CE1-CD1 3.28Å; Y597-L601 HydrophobicContact CE1-CG 4.08Å; Y597-L601 HydrophobicContact CE2-CD1 4.47Å; Y597-L601 HydrophobicContact CE2-CG 4.45Å; Y597-L601 PolarHBondContact O-N 3.43Å
598Q83.3Confident81.9Confident87 Ų8798.3 Ų98.341%0.40748%0.483SS..Hα-helixtrans-63.5-38.4175.7-70.9-66.4-26.900112.3N594 R595 E596 L601 Q602N594-Q598 WeakPolarHBondContact O-CB 3.29Å; N594-Q598 VanDerWaalsContact O-CG 3.25Å; N594-Q598 WeakPolarHBondContact O-CG 3.36Å; N594-Q598 PolarHBondContact O-N 3.37Å; R595-Q598 PolarHBondContact O-N 2.83Å; E596-Q598 PolarHBondContact O-N 3.27Å; Q598-L601 PolarHBondContact O-N 3.38Å; Q598-Q602 WeakPolarHBondContact O-CG 3.41Å; Q598-Q602 PolarHBondContact O-N 2.98Å
599A83Confident81Confident45 Ų4597.8 Ų97.837%0.37248%0.479SS..Hα-helixtrans-63.5-41.5175.300000111.9R595 E596 Y597 Q602 L603R595-A599 PolarHBondContact O-N 3.47Å; E596-A599 WeakPolarHBondContact O-CB 3.48Å; E596-A599 PolarHBondContact O-N 3.11Å; Y597-A599 VanDerWaalsContact C-N 3.34Å; Y597-A599 PolarHBondContact O-N 2.79Å; A599-Q602 PolarHBondContact O-N 3.37Å; A599-L603 WeakPolarHBondContact O-CD1 3.43Å; A599-L603 PolarHBondContact O-N 2.87Å; A599-L603 VanDerWaalsContact O-N 3.1Å
600I79.5Confident80.2Confident110 Ų110102.7 Ų102.756%0.56449%0.49SS*.Hα-helixtrans-63-45.2175.4-66.9166000110.7E596 Y597 Q602 L603 F604E596-I600 WeakPolarHBondContact O-CG1 3.4Å; E596-I600 PolarHBondContact O-N 2.99Å; Y597-I600 PolarHBondContact O-N 3.01Å; I600-Q602 VanDerWaalsContact C-N 3.26Å; I600-Q602 PolarHBondContact O-N 3.4Å; I600-L603 PolarHBondContact O-N 3.25Å; I600-L603 VanDerWaalsContact O-N 3.08Å; I600-F604 PolarHBondContact O-N 2.8Å
601L76.8Confident78.9Confident68 Ų68101 Ų10136%0.35649%0.49SS..Hα-helixtrans-60.5-35.5176.7-78.4176.6000112.5Y597 Q598 P605Y597-L601 HydrophobicContact CD1-CD1 3.86Å; Y597-L601 HydrophobicContact CE1-CD1 3.28Å; Y597-L601 HydrophobicContact CE1-CG 4.08Å; Y597-L601 HydrophobicContact CE2-CD1 4.47Å; Y597-L601 HydrophobicContact CE2-CG 4.45Å; Y597-L601 PolarHBondContact O-N 3.43Å; Q598-L601 PolarHBondContact O-N 3.38Å; L601-P605 VanDerWaalsContact O-CD 3.27Å; L601-P605 WeakPolarHBondContact O-CD 3.3Å
602Q80.8Confident77.6Confident146 Ų14699 Ų9968%0.68248%0.482SS*.Hα-helixtrans-70.5-29.9174.7-74.2-177.3-12.500113.2Q598 A599 I600 P605Q598-Q602 WeakPolarHBondContact O-CG 3.41Å; Q598-Q602 PolarHBondContact O-N 2.98Å; A599-Q602 PolarHBondContact O-N 3.37Å; I600-Q602 VanDerWaalsContact C-N 3.26Å; I600-Q602 PolarHBondContact O-N 3.4Å; Q602-P605 WeakPolarHBondContact O-CD 3.33Å
603L82.5Confident76.2Confident100 Ų10099.1 Ų99.152%0.52448%0.484SS..Hα-helixtrans-78.3-26.8175.5-100.7114.9000113.6A599 I600 H606 L607A599-L603 WeakPolarHBondContact O-CD1 3.43Å; A599-L603 PolarHBondContact O-N 2.87Å; A599-L603 VanDerWaalsContact O-N 3.1Å; I600-L603 PolarHBondContact O-N 3.25Å; I600-L603 VanDerWaalsContact O-N 3.08Å; L603-H606 WeakPolarHBondContact O-CB 3.35Å; L603-H606 PolarHBondContact O-N 3.28Å; L603-L607 PolarHBondContact O-N 2.88Å; L603-L607 VanDerWaalsContact O-N 3.07Å
604F77.7Confident75Confident102 Ų102101.7 Ų101.745%0.44750%0.495SS..Hα-helixtrans-55.8-43.5-173.4-154.9-104000114.1I600 H606 L607 L608I600-F604 PolarHBondContact O-N 2.8Å; F604-H606 VanDerWaalsContact C-N 3.32Å; F604-H606 PolarHBondContact O-N 2.89Å; F604-L607 PolarHBondContact O-N 3.36Å; F604-L608 HydrophobicContact CD1-CD1 3.54Å; F604-L608 HydrophobicContact CD1-CG 4.42Å; F604-L608 HydrophobicContact CE1-CD1 3.52Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 PolarHBondContact O-N 3.46Å
605P75.8Confident73.6Confident61 Ų61103.3 Ų103.340%0.39651%0.508SS..Hα-helixtrans-62-37.1176-22.133.2000113L601 Q602 K609L601-P605 VanDerWaalsContact O-CD 3.27Å; L601-P605 WeakPolarHBondContact O-CD 3.3Å; Q602-P605 WeakPolarHBondContact O-CD 3.33Å; P605-K609 WeakPolarHBondContact O-CB 3.31Å; P605-K609 PolarHBondContact O-N 3.46Å
606H76.6Confident72.2Confident136 Ų13699.3 Ų99.363%0.6350%0.498SS*.Hα-helixtrans-69.4-40.9178.6-69.2-59.1000111.9L603 F604 K609 K610L603-H606 WeakPolarHBondContact O-CB 3.35Å; L603-H606 PolarHBondContact O-N 3.28Å; F604-H606 VanDerWaalsContact C-N 3.32Å; F604-H606 PolarHBondContact O-N 2.89Å; H606-K609 PolarHBondContact O-N 2.92Å; H606-K610 WeakPolarHBondContact O-CB 3.48Å; H606-K610 PolarHBondContact O-N 3.12Å
607L69.5Low71Confident97 Ų9799.6 Ų99.651%0.50851%0.508SS..Hα-helixtrans-62.2-46174.3-76.7164.2000111.3L603 F604 K609 K610 V611L603-L607 PolarHBondContact O-N 2.88Å; L603-L607 VanDerWaalsContact O-N 3.07Å; F604-L607 PolarHBondContact O-N 3.36Å; L607-K609 PolarHBondContact O-N 3.32Å; L607-K610 PolarHBondContact O-N 3.12Å; L607-V611 WeakPolarHBondContact O-CG2 3.24Å; L607-V611 PolarHBondContact O-N 3.2Å
608L69Low69.8Low58 Ų5899.3 Ų99.330%0.30452%0.515SS..Hα-helixtrans-57.4-47.1174.2-90.9159.8000111.8F604 K610 V611 A612 L628F604-L608 HydrophobicContact CD1-CD1 3.54Å; F604-L608 HydrophobicContact CD1-CG 4.42Å; F604-L608 HydrophobicContact CE1-CD1 3.52Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 PolarHBondContact O-N 3.46Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.43Å; L608-V611 PolarHBondContact O-N 2.88Å; L608-A612 WeakPolarHBondContact O-CB 3.41Å; L608-A612 PolarHBondContact O-N 3.4Å; L608-L628 HydrophobicContact CD1-CD1 4.12Å; L608-L628 HydrophobicContact CD2-CD1 3.88Å
609K67.6Low68.6Low117 Ų117102.3 Ų102.351%0.50953%0.534SS..Hα-helixtrans-59.8-40.8177.5-130.2179.5-176.7-1770112.1P605 H606 L607 A612 H613P605-K609 WeakPolarHBondContact O-CB 3.31Å; P605-K609 PolarHBondContact O-N 3.46Å; H606-K609 PolarHBondContact O-N 2.92Å; L607-K609 PolarHBondContact O-N 3.32Å; K609-A612 PolarHBondContact O-N 2.71Å; K609-H613 PolarHBondContact O-CD2 3.38Å; K609-H613 VanDerWaalsContact O-N 3.09Å; K609-H613 PolarHBondContact O-N 3.42Å
610K68.5Low67.3Low161 Ų161106.1 Ų106.170%0.754%0.544SS*.Hα-helixtrans-70-41.6-179-159.9176.2-174.3-179.20112.2H606 L607 L608H606-K610 WeakPolarHBondContact O-CB 3.48Å; H606-K610 PolarHBondContact O-N 3.12Å; L607-K610 PolarHBondContact O-N 3.12Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.43Å
611V62.6Low66.1Low95 Ų95102 Ų10258%0.57652%0.523SS*.Hα-helixtrans-65.9-42.4174.2173.30000110.5L607 L608 H613 M614 T615L607-V611 WeakPolarHBondContact O-CG2 3.24Å; L607-V611 PolarHBondContact O-N 3.2Å; L608-V611 PolarHBondContact O-N 2.88Å; V611-H613 PolarHBondContact O-N 2.86Å; V611-M614 WeakPolarHBondContact O-CB 3.36Å; V611-M614 PolarHBondContact O-N 3.5Å; V611-T615 PolarHBondContact O-OG1 2.87Å
612A59.1Low65.4Low20 Ų20102.9 Ų102.917%0.16554%0.535CS..Hα-helixtrans-67.1-35.7-176.900000112.6L608 K609 M614 T615 L616 L621L608-A612 WeakPolarHBondContact O-CB 3.41Å; L608-A612 PolarHBondContact O-N 3.4Å; K609-A612 PolarHBondContact O-N 2.71Å; A612-M614 PolarHBondContact O-N 3.38Å; A612-T615 PolarHBondContact O-N 3.36Å; A612-L616 PolarHBondContact O-N 3.37Å; A612-L621 HydrophobicContact CB-CD1 3.48Å; A612-L621 VanDerWaalsContact CB-CD1 3.48Å; A612-L621 HydrophobicContact CB-CG 4.33Å
613H60.5Low64.5Low123 Ų12399.7 Ų99.757%0.56953%0.529SS*.THydrogen-bonded Turntrans-62.8-18.7170.9-92.1-64.2000114.1K609 V611K609-H613 PolarHBondContact O-CD2 3.38Å; K609-H613 VanDerWaalsContact O-N 3.09Å; K609-H613 PolarHBondContact O-N 3.42Å; V611-H613 PolarHBondContact O-N 2.86Å
614M62.3Low63.5Low161 Ų16199.2 Ų99.279%0.79353%0.526SS*.THydrogen-bonded Turntrans-87.6-15178.6-66.6-139.971.500113.9V611 A612V611-M614 WeakPolarHBondContact O-CB 3.36Å; V611-M614 PolarHBondContact O-N 3.5Å; A612-M614 PolarHBondContact O-N 3.38Å
615T57.1Low62.8Low100 Ų10096.5 Ų96.561%0.61352%0.518SS*.THydrogen-bonded Turntrans-129.3-14.4-167.643.30000116.9V611 A612V611-T615 PolarHBondContact O-OG1 2.87Å; A612-T615 PolarHBondContact O-N 3.36Å
616L55.4Low62.2Low75 Ų7597.1 Ų97.139%0.39352%0.524SS..SBendtrans-139.9146.4-173.3-82.1137.5000115A612 L621A612-L616 PolarHBondContact O-N 3.37Å; L616-L621 HydrophobicContact CB-CD1 4.43Å
617P60.3Low61.6Low102 Ų10297 Ų9766%0.66252%0.523SS*.  trans-63.4147.6171-16.129.2000113N619P617-N619 VanDerWaalsContact C-N 3.26Å; P617-N619 PolarHBondContact O-N 2.86Å
618D57.6Low61Low121 Ų12195.3 Ų95.365%0.64751%0.514SS*.Hα-helixtrans-53.2-26.8-165.3-70.2-42.1000117L621D618-L621 WeakPolarHBondContact O-CB 3.45Å
619N58.1Low60.7Low151 Ų15195.8 Ų95.881%0.80752%0.519SS*.Hα-helixtrans-76.8-35.7-170.8-95.3-7.5000114.7P617 L621P617-N619 VanDerWaalsContact C-N 3.26Å; P617-N619 PolarHBondContact O-N 2.86Å; N619-L621 VanDerWaalsContact C-N 3.28Å
620E57Low60.4Low125 Ų12593.3 Ų93.358%0.58452%0.517SS*.Hα-helixtrans-78.1-18.8177.7-68.3-171.4168.500112.2S622 S623 I624E620-S622 PolarHBondContact O-N 3.29Å; E620-S623 PolarHBondContact O-N 3.46Å; E620-I624 PolarHBondContact O-N 3.29Å
621L53.5Low59.7Low22 Ų2289.3 Ų89.312%0.11551%0.506CS..Hα-helixtrans-63.8-42.6-174.3-148.380.1000113.2A612 L616 D618 N619 S623 T625A612-L621 HydrophobicContact CB-CD1 3.48Å; A612-L621 VanDerWaalsContact CB-CD1 3.48Å; A612-L621 HydrophobicContact CB-CG 4.33Å; L616-L621 HydrophobicContact CB-CD1 4.43Å; D618-L621 WeakPolarHBondContact O-CB 3.45Å; N619-L621 VanDerWaalsContact C-N 3.28Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 2.92Å; L621-T625 WeakPolarHBondContact O-CB 3.31Å; L621-T625 PolarHBondContact O-OG1 3.35Å; L621-T625 PolarHBondContact O-N 2.89Å; L621-T625 VanDerWaalsContact O-N 3.13Å
622S61.9Low59.2Low88 Ų8888.2 Ų88.262%0.61550%0.502SS*.Hα-helixtrans-64.1-38.4-175.668.30000112E620 S626E620-S622 PolarHBondContact O-N 3.29Å; S622-S626 WeakPolarHBondContact O-CB 3.41Å; S622-S626 PolarHBondContact O-N 3.49Å; S622-S626 VanDerWaalsContact O-N 3.16Å; S622-S626 PolarHBondContact O-OG 2.9Å
623S62.2Low58.9Low78 Ų7891.7 Ų91.755%0.54552%0.52SS..Hα-helixtrans-69.4-52.3-178.5-176.60000111.4E620 L621 T625 S626 H627E620-S623 PolarHBondContact O-N 3.46Å; L621-S623 VanDerWaalsContact C-N 3.32Å; L621-S623 PolarHBondContact O-N 2.92Å; S623-T625 PolarHBondContact O-N 3.19Å; S623-S626 PolarHBondContact O-N 3.05Å; S623-S626 PolarHBondContact O-OG 3.42Å; S623-H627 VanDerWaalsContact O-N 3.1Å; S623-H627 PolarHBondContact O-N 3.32Å
624I60.9Low58.3Low91 Ų9190.3 Ų90.347%0.46753%0.525SS..Hα-helixtrans-63.9-42.3-177.1-61.7172.4000110.9E620 S626 H627 L628E620-I624 PolarHBondContact O-N 3.29Å; I624-S626 VanDerWaalsContact C-N 3.35Å; I624-S626 PolarHBondContact O-N 3.4Å; I624-H627 PolarHBondContact O-N 3.45Å; I624-L628 HydrophobicContact CG2-CD1 3.99Å; I624-L628 PolarHBondContact O-N 2.91Å
625T63.2Low57.5Low44 Ų4485.2 Ų85.227%0.2751%0.513SS..Hα-helixtrans-64.2-40.2179.1-47.20000111.4L621 S623 H627 V629L621-T625 WeakPolarHBondContact O-CB 3.31Å; L621-T625 PolarHBondContact O-OG1 3.35Å; L621-T625 PolarHBondContact O-N 2.89Å; L621-T625 VanDerWaalsContact O-N 3.13Å; S623-T625 PolarHBondContact O-N 3.19Å; T625-H627 VanDerWaalsContact C-N 3.34Å; T625-H627 PolarHBondContact O-N 2.98Å; T625-V629 VanDerWaalsContact O-CG2 3.31Å; T625-V629 VanDerWaalsContact O-N 3.11Å; T625-V629 WeakPolarHBondContact O-CG2 3.46Å; T625-V629 PolarHBondContact O-N 3.33Å
626S63.8Low56.6Low75 Ų7588.6 Ų88.652%0.52452%0.52SS..Hα-helixtrans-63.8-39.6177.377.70000112.3S622 S623 I624 S630S622-S626 WeakPolarHBondContact O-CB 3.41Å; S622-S626 PolarHBondContact O-N 3.49Å; S622-S626 VanDerWaalsContact O-N 3.16Å; S622-S626 PolarHBondContact O-OG 2.9Å; S623-S626 PolarHBondContact O-N 3.05Å; S623-S626 PolarHBondContact O-OG 3.42Å; I624-S626 VanDerWaalsContact C-N 3.35Å; I624-S626 PolarHBondContact O-N 3.4Å; S626-S630 PolarHBondContact O-N 3.39Å
627H63.2Low55.9Low132 Ų13289.4 Ų89.461%0.61153%0.53SS*.Hα-helixtrans-70.8-40.3-178.6-149.567.5000112S623 I624 T625 S630 T631S623-H627 VanDerWaalsContact O-N 3.1Å; S623-H627 PolarHBondContact O-N 3.32Å; I624-H627 PolarHBondContact O-N 3.45Å; T625-H627 VanDerWaalsContact C-N 3.34Å; T625-H627 PolarHBondContact O-N 2.98Å; H627-S630 PolarHBondContact O-N 2.93Å; H627-S630 PolarHBondContact O-OG 3.06Å; H627-T631 WeakPolarHBondContact O-CB 3.35Å; H627-T631 PolarHBondContact O-N 3.47Å; H627-T631 PolarHBondContact O-OG1 2.95Å
628L57.6Low55Low63 Ų6393.2 Ų93.233%0.3354%0.536SS..Hα-helixtrans-66.9-42.8176.3-86.1161.1000111.9L608 I624 S630 T631 C632L608-L628 HydrophobicContact CD1-CD1 4.12Å; L608-L628 HydrophobicContact CD2-CD1 3.88Å; I624-L628 HydrophobicContact CG2-CD1 3.99Å; I624-L628 PolarHBondContact O-N 2.91Å; L628-S630 PolarHBondContact O-N 3.17Å; L628-T631 PolarHBondContact O-N 3.49Å; L628-C632 PolarHBondContact O-SG 2.89Å; L628-C632 PolarHBondContact O-N 3.21Å
629V62.5Low54Low67 Ų6792.7 Ų92.741%0.40654%0.54SS..Hα-helixtrans-63.1-41.91771730000111T625 T631 C632 V633T625-V629 VanDerWaalsContact O-CG2 3.31Å; T625-V629 VanDerWaalsContact O-N 3.11Å; T625-V629 WeakPolarHBondContact O-CG2 3.46Å; T625-V629 PolarHBondContact O-N 3.33Å; V629-T631 VanDerWaalsContact C-N 3.32Å; V629-T631 PolarHBondContact O-N 2.97Å; V629-C632 PolarHBondContact O-N 2.71Å; V629-V633 HydrophobicContact CG1-CG2 4.2Å; V629-V633 WeakPolarHBondContact O-CB 3.41Å; V629-V633 VanDerWaalsContact O-CG2 3.24Å; V629-V633 WeakPolarHBondContact O-CG2 3.47Å; V629-V633 PolarHBondContact O-N 3.33Å
630S60.2Low53Low65 Ų6591.5 Ų91.546%0.45553%0.534SS..Hα-helixtrans-64-39.7176.976.60000111.9S626 H627 L628 S634S626-S630 PolarHBondContact O-N 3.39Å; H627-S630 PolarHBondContact O-N 2.93Å; H627-S630 PolarHBondContact O-OG 3.06Å; L628-S630 PolarHBondContact O-N 3.17Å; S630-S634 WeakPolarHBondContact O-CB 3.42Å; S630-S634 PolarHBondContact O-OG 2.96Å; S630-S634 PolarHBondContact O-N 2.82Å
631T54.4Low52.1Low78 Ų7889.5 Ų89.548%0.47954%0.539SS..Hα-helixtrans-66.7-46.5179.8-48.70000110.8H627 L628 V629 S634 G635H627-T631 WeakPolarHBondContact O-CB 3.35Å; H627-T631 PolarHBondContact O-N 3.47Å; H627-T631 PolarHBondContact O-OG1 2.95Å; L628-T631 PolarHBondContact O-N 3.49Å; V629-T631 VanDerWaalsContact C-N 3.32Å; V629-T631 PolarHBondContact O-N 2.97Å; T631-S634 PolarHBondContact O-N 2.99Å; T631-S634 PolarHBondContact O-OG 3.1Å; T631-G635 PolarHBondContact O-N 2.71Å; T631-G635 VanDerWaalsContact O-N 3.14Å
632C51.6Low51.3Low71 Ų7196.2 Ų96.248%0.4857%0.574SS.*Hα-helixtrans-66.2-38.1177.6-70.20000113.6L628 V629 G635L628-C632 PolarHBondContact O-SG 2.89Å; L628-C632 PolarHBondContact O-N 3.21Å; V629-C632 PolarHBondContact O-N 2.71Å; C632-G635 PolarHBondContact O-N 2.89Å
633V53.1Low50.1Low93 Ų93100 Ų10056%0.56458%0.582SS**Hα-helixtrans-71.7-33.1178.6174.60000111.7V629 G635V629-V633 HydrophobicContact CG1-CG2 4.2Å; V629-V633 WeakPolarHBondContact O-CB 3.41Å; V629-V633 VanDerWaalsContact O-CG2 3.24Å; V629-V633 WeakPolarHBondContact O-CG2 3.47Å; V629-V633 PolarHBondContact O-N 3.33Å; V633-G635 VanDerWaalsContact C-N 3.3Å
634S49.3Very low48.7Very low94 Ų94103.8 Ų103.866%0.65760%0.595SS**Hα-helixtrans-72.2-25174.972.90000113.1S630 T631 K636S630-S634 WeakPolarHBondContact O-CB 3.42Å; S630-S634 PolarHBondContact O-OG 2.96Å; S630-S634 PolarHBondContact O-N 2.82Å; T631-S634 PolarHBondContact O-N 2.99Å; T631-S634 PolarHBondContact O-OG 3.1Å; S634-K636 PolarHBondContact O-N 3.1Å
635G43.7Very low47.5Very low54 Ų54113.8 Ų113.856%0.55763%0.627SS**THydrogen-bonded Turntrans-74.221.6175.600000114.9T631 C632 V633 P637T631-G635 PolarHBondContact O-N 2.71Å; T631-G635 VanDerWaalsContact O-N 3.14Å; C632-G635 PolarHBondContact O-N 2.89Å; V633-G635 VanDerWaalsContact C-N 3.3Å; G635-P637 WeakPolarHBondContact O-CD 3.4Å
636K39.4Very low46.7Very low172 Ų172117.3 Ų117.375%0.74865%0.645SS**  trans-55.2110.9166.3-85.8-176.3178.5179.20106.9S634 K638S634-K636 PolarHBondContact O-N 3.1Å; K636-K638 PolarHBondContact O-N 3.28Å
637P40.7Very low45.8Very low92 Ų92119.5 Ų119.560%0.59765%0.651SS**  trans-60.5122.3168.425.3-25.2000104.3G635 C639G635-P637 WeakPolarHBondContact O-CD 3.4Å; P637-C639 PolarHBondContact O-N 2.79Å
638K40.3Very low44.8Very low182 Ų182118.8 Ų118.879%0.79165%0.653SS**  trans-57.789.6159.6-74.1-179.1177.1-179.10105K636 D640K636-K638 PolarHBondContact O-N 3.28Å; K638-D640 PolarHBondContact O-N 3.44Å
639C37Very low44.1Very low109 Ų109122.1 Ų122.174%0.73667%0.672SS**  trans-66.968.6149.9-78.90000105P637 A641P637-C639 PolarHBondContact O-N 2.79Å; C639-A641 VanDerWaalsContact C-N 3.29Å; C639-A641 PolarHBondContact O-N 3.18Å
640D38.3Very low42.9Very low126 Ų126125.5 Ų125.567%0.67469%0.689SS**  trans-54.8111.6154-80-31.6000103.2K638 L642K638-D640 PolarHBondContact O-N 3.44Å; D640-L642 VanDerWaalsContact C-N 3.29Å; D640-L642 PolarHBondContact O-N 2.8Å
641A38.2Very low41.8Very low84 Ų84129.5 Ų129.569%0.69471%0.705SS**  trans-51101.4-179.100000106.8C639 Q643C639-A641 VanDerWaalsContact C-N 3.29Å; C639-A641 PolarHBondContact O-N 3.18Å; A641-Q643 PolarHBondContact O-N 2.9Å
642L36.4Very low40.9Very low162 Ų162133.2 Ų133.285%0.84872%0.721SS**  trans-59.488.4154.3-82.5165.5000103.8D640 L644D640-L642 VanDerWaalsContact C-N 3.29Å; D640-L642 PolarHBondContact O-N 2.8Å; L642-L644 PolarHBondContact O-N 3.15Å
643Q36.3Very low40.1Very low167 Ų167138 Ų13878%0.7874%0.739SS**  trans-56.888.9162.7-77.3-178.9-24.700105A641 R645A641-Q643 PolarHBondContact O-N 2.9Å; Q643-R645 PolarHBondContact O-N 3.48Å
644L32.8Very low39Very low159 Ų159141.8 Ų141.883%0.83275%0.754SS**  trans-5985.8153.6-85.6147.7000105.5L642L642-L644 PolarHBondContact O-N 3.15Å
645R35.3Very low38Very low300 Ų300146.1 Ų146.1100%1.13276%0.763SS**  trans-118.70165.1-120-170.2-175.3-172.91.8108.3Q643Q643-R645 PolarHBondContact O-N 3.48Å

Retrieved 645 of 645 residues in 483 ms (Link to these results)

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