A0A087YFR1_POEFO Loading...

Putative homeodomain transcription factor 2

AlphaFold DB , UniProt , Accession A0A087YFR1, Species POEFO (Poecilia formosa, Amazon molly), Gene PHTF2, Length 762 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
1M46.1Very low67.1Low203 Ų20389.1 Ų89.1100%147%0.473SS*.  0-43.90-60.2-176.8-150.700114S3 K4 V5M1-S3 PolarHBondContact O-N 3.29Å; M1-K4 PolarHBondContact O-N 3.4Å; M1-V5 PolarHBondContact O-N 2.81Å
2A45.8Very low68.2Low56 Ų5684.3 Ų84.346%0.46344%0.444SS..Hα-helixtrans-55.5-24.4-17100000116.9K6 I472A2-K6 WeakPolarHBondContact O-CG 3.46Å; A2-K6 PolarHBondContact O-N 3.2Å; A2-K6 VanDerWaalsContact O-N 3.13Å; A2-I472 HydrophobicContact CB-CD1 4.37Å
3S55.7Low69.2Low73 Ų7379.7 Ų79.751%0.5142%0.418SS..Hα-helixtrans-62.4-66.9170.644.30000111.5M1 V5 K6 D7M1-S3 PolarHBondContact O-N 3.29Å; S3-V5 PolarHBondContact O-N 3.04Å; S3-K6 WeakPolarHBondContact O-CA 3.48Å; S3-K6 WeakPolarHBondContact O-CB 3.49Å; S3-K6 PolarHBondContact O-N 3.5Å; S3-D7 PolarHBondContact O-N 3.01Å
4K64.6Low70.1Confident166 Ų16686.1 Ų86.172%0.72244%0.441SS*.Hα-helixtrans-47.4-36.5178.3-59.7-174.3178.7-1760112.8M1 D7 A8M1-K4 PolarHBondContact O-N 3.4Å; K4-D7 WeakPolarHBondContact CA-OD2 3.47Å; K4-D7 PolarHBondContact N-OD2 3.09Å; K4-D7 PolarHBondContact O-N 3.17Å; K4-A8 PolarHBondContact O-N 3.36Å
5V62.3Low70.7Confident51 Ų5182.7 Ų82.731%0.30942%0.422SS..Hα-helixtrans-74.6-30.3178.9172.60000113.4M1 S3 Q475M1-V5 PolarHBondContact O-N 2.81Å; S3-V5 PolarHBondContact O-N 3.04Å; V5-Q475 PolarHBondContact O-NE2 2.79Å
6K68.1Low71Confident77 Ų7777.6 Ų77.634%0.33540%0.396SS..Hα-helixtrans-70-43.5165.4-71.5168-178.7-1790111.1A2 S3 V9 V10 I472 R553A2-K6 WeakPolarHBondContact O-CG 3.46Å; A2-K6 PolarHBondContact O-N 3.2Å; A2-K6 VanDerWaalsContact O-N 3.13Å; S3-K6 WeakPolarHBondContact O-CA 3.48Å; S3-K6 WeakPolarHBondContact O-CB 3.49Å; S3-K6 PolarHBondContact O-N 3.5Å; K6-V9 PolarHBondContact O-N 2.83Å; K6-V10 WeakPolarHBondContact O-CG2 3.4Å; K6-V10 PolarHBondContact O-N 3.2Å; K6-I472 HydrophobicContact CG-CD1 4.5Å; K6-R553 PolarHBondContact O-NH1 3.12Å
7D77.3Confident70.9Confident96 Ų9674.1 Ų74.151%0.51338%0.383SS..Hα-helixtrans-64.7-42.6-172.8-53.1-33.1000111S3 K4 V9 V10 W11S3-D7 PolarHBondContact O-N 3.01Å; K4-D7 WeakPolarHBondContact CA-OD2 3.47Å; K4-D7 PolarHBondContact N-OD2 3.09Å; K4-D7 PolarHBondContact O-N 3.17Å; D7-V9 VanDerWaalsContact C-N 3.34Å; D7-V9 PolarHBondContact O-N 3.38Å; D7-V10 PolarHBondContact O-N 3.34Å; D7-W11 WeakPolarHBondContact O-CB 3.21Å; D7-W11 PolarHBondContact O-N 3.38Å
8A77.6Confident70.8Confident43 Ų4372.7 Ų72.736%0.35539%0.385SS..Hα-helixtrans-57.7-41.8173.700000113K4 Y12 F546K4-A8 PolarHBondContact O-N 3.36Å; A8-Y12 WeakPolarHBondContact O-CB 3.36Å; A8-Y12 PolarHBondContact O-N 3.45Å; A8-F546 HydrophobicContact CB-CE2 4.48Å
9V79.1Confident70.4Confident0 Ų071.8 Ų71.80%038%0.376CS..Hα-helixtrans-69-43176.2174.50000111.3K6 D7 W11 Y12 Q13 F546 V550 R553K6-V9 PolarHBondContact O-N 2.83Å; D7-V9 VanDerWaalsContact C-N 3.34Å; D7-V9 PolarHBondContact O-N 3.38Å; V9-W11 VanDerWaalsContact C-N 3.34Å; V9-W11 PolarHBondContact O-N 3.43Å; V9-Y12 PolarHBondContact O-N 3.15Å; V9-Q13 WeakPolarHBondContact O-CB 3.43Å; V9-Q13 PolarHBondContact O-N 2.87Å; V9-F546 HydrophobicContact CB-CE2 4.43Å; V9-F546 HydrophobicContact CG2-CD2 3.97Å; V9-F546 HydrophobicContact CG2-CE2 3.44Å; V9-F546 VanDerWaalsContact CG2-CE2 3.44Å; V9-F546 HydrophobicContact CG2-CZ 4.17Å; V9-V550 HydrophobicContact CG1-CG2 3.87Å; V9-R553 HydrophobicContact CG1-CG 4.3Å
10V79.6Confident70.2Confident78 Ų7868.5 Ų68.547%0.47336%0.359SS..Hα-helixtrans-63.9-41.7178.2173.40000110.9K6 D7 K14K6-V10 WeakPolarHBondContact O-CG2 3.4Å; K6-V10 PolarHBondContact O-N 3.2Å; D7-V10 PolarHBondContact O-N 3.34Å; V10-K14 WeakPolarHBondContact O-CB 3.17Å; V10-K14 PolarHBondContact O-N 2.86Å
11W81.6Confident69.9Low137 Ų13767 Ų6752%0.51935%0.35SS..Hα-helixtrans-59.5-49.3173.7178.489.6000111.7D7 V9 K14 K15 I99D7-W11 WeakPolarHBondContact O-CB 3.21Å; D7-W11 PolarHBondContact O-N 3.38Å; V9-W11 VanDerWaalsContact C-N 3.34Å; V9-W11 PolarHBondContact O-N 3.43Å; W11-K14 PolarHBondContact O-N 2.77Å; W11-K15 HydrophobicContact CE3-CD 4.41Å; W11-K15 HydrophobicContact CH2-CD 3.58Å; W11-K15 VanDerWaalsContact CH2-NZ 3.34Å; W11-K15 HydrophobicContact CZ2-CD 3.88Å; W11-K15 HydrophobicContact CZ3-CD 3.86Å; W11-K15 WeakPolarHBondContact O-CB 3.42Å; W11-K15 PolarHBondContact O-N 2.62Å; W11-I99 HydrophobicContact CH2-CD1 3.72Å; W11-I99 HydrophobicContact CZ3-CD1 4.02Å
12Y80.3Confident70.6Confident32 Ų3258.7 Ų58.713%0.12531%0.309CS..Hα-helixtrans-70.7-35.7-178.7-168.8-105.4000112.6A8 V9 K15 I16 F546 L547 V550A8-Y12 WeakPolarHBondContact O-CB 3.36Å; A8-Y12 PolarHBondContact O-N 3.45Å; V9-Y12 PolarHBondContact O-N 3.15Å; Y12-K15 PolarHBondContact O-N 3.02Å; Y12-I16 HydrophobicContact CD1-CD1 3.9Å; Y12-I16 HydrophobicContact CD1-CG1 4.23Å; Y12-I16 HydrophobicContact CE1-CD1 3.25Å; Y12-I16 HydrophobicContact CE1-CG1 3.83Å; Y12-I16 WeakPolarHBondContact O-CB 3.45Å; Y12-I16 PolarHBondContact O-N 3.34Å; Y12-F546 HydrophobicContact CD1-CD1 4.49Å; Y12-F546 AromaticContact CD1-CE1 3.61Å; Y12-F546 HydrophobicContact CD1-CE1 3.61Å; Y12-F546 HydrophobicContact CD1-CZ 4.31Å; Y12-F546 HydrophobicContact CE1-CE1 4.17Å; Y12-F546 AromaticContact CG-CE1 3.79Å; Y12-F546 HydrophobicContact CG-CE1 3.79Å; Y12-F546 HydrophobicContact CG-CZ 4.2Å; Y12-L547 HydrophobicContact CD1-CD2 4.46Å; Y12-L547 HydrophobicContact CE1-CD2 3.4Å; Y12-L547 VanDerWaalsContact CE1-CD2 3.4Å; Y12-V550 HydrophobicContact CD1-CB 4.45Å; Y12-V550 HydrophobicContact CD1-CG1 4.14Å; Y12-V550 HydrophobicContact CD1-CG2 3.76Å; Y12-V550 HydrophobicContact CE1-CG2 4.49Å
13Q81.7Confident70.8Confident24 Ų2462.4 Ų62.411%0.11232%0.319CS..Hα-helixtrans-59.9-44.4170.7179.1173.4-12.400111.5V9 G17 V550 T554V9-Q13 WeakPolarHBondContact O-CB 3.43Å; V9-Q13 PolarHBondContact O-N 2.87Å; Q13-G17 PolarHBondContact O-N 3.36Å; Q13-V550 HydrophobicContact CB-CG1 4.22Å; Q13-T554 HydrophobicContact CG-CG2 3.8Å
14K81.1Confident70.7Confident169 Ų16959.9 Ų59.974%0.73530%0.298SS*.Hα-helixtrans-65.7-38.5174.8-173.4174.6-177.9176.60111.9V10 W11 G17 A18V10-K14 WeakPolarHBondContact O-CB 3.17Å; V10-K14 PolarHBondContact O-N 2.86Å; W11-K14 PolarHBondContact O-N 2.77Å; K14-G17 WeakPolarHBondContact O-CA 3.25Å; K14-G17 PolarHBondContact O-N 3.42Å; K14-A18 PolarHBondContact O-N 2.67Å
15K79.6Confident70.5Confident35 Ų3552.5 Ų52.515%0.15227%0.267CS..Hα-helixtrans-67.6-44.7177.7-173.3170.5179.5170.40112.6W11 Y12 G17 A18 Y19 T95W11-K15 HydrophobicContact CE3-CD 4.41Å; W11-K15 HydrophobicContact CH2-CD 3.58Å; W11-K15 VanDerWaalsContact CH2-NZ 3.34Å; W11-K15 HydrophobicContact CZ2-CD 3.88Å; W11-K15 HydrophobicContact CZ3-CD 3.86Å; W11-K15 WeakPolarHBondContact O-CB 3.42Å; W11-K15 PolarHBondContact O-N 2.62Å; Y12-K15 PolarHBondContact O-N 3.02Å; K15-G17 VanDerWaalsContact C-N 3.26Å; K15-G17 PolarHBondContact O-N 2.71Å; K15-A18 WeakPolarHBondContact O-CB 3.42Å; K15-A18 PolarHBondContact O-N 2.81Å; K15-A18 VanDerWaalsContact O-N 3.11Å; K15-Y19 WeakPolarHBondContact CE-OH 3.41Å; K15-Y19 HydrophobicContact CG-CE2 3.87Å; K15-Y19 WeakPolarHBondContact O-CD2 3.04Å; K15-Y19 PolarHBondContact O-N 3.46Å; K15-T95 PolarHBondContact NZ-O 3.44Å
16I75.8Confident70.3Confident1 Ų154 Ų541%0.00527%0.269CS..Hα-helixtrans-60.8-38.2169.2-77.5-168.4000111.1Y12 A18 Y19 D20 I148 P605 S608 I612Y12-I16 HydrophobicContact CD1-CD1 3.9Å; Y12-I16 HydrophobicContact CD1-CG1 4.23Å; Y12-I16 HydrophobicContact CE1-CD1 3.25Å; Y12-I16 HydrophobicContact CE1-CG1 3.83Å; Y12-I16 WeakPolarHBondContact O-CB 3.45Å; Y12-I16 PolarHBondContact O-N 3.34Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 2.76Å; I16-Y19 PolarHBondContact O-N 2.9Å; I16-D20 PolarHBondContact O-N 2.85Å; I16-I148 HydrophobicContact CD1-CD1 4.41Å; I16-P605 HydrophobicContact CG2-CB 3.73Å; I16-S608 WeakPolarHBondContact CG2-OG 3.37Å; I16-I612 HydrophobicContact CD1-CD1 4.1Å
17G69.6Low69.7Low18 Ų1852.5 Ų52.519%0.18627%0.269CS..Hα-helixtrans-49.1-52.9167.900000112.1Q13 K14 K15 Y19 D20 Q21Q13-G17 PolarHBondContact O-N 3.36Å; K14-G17 WeakPolarHBondContact O-CA 3.25Å; K14-G17 PolarHBondContact O-N 3.42Å; K15-G17 VanDerWaalsContact C-N 3.26Å; K15-G17 PolarHBondContact O-N 2.71Å; G17-Y19 PolarHBondContact O-N 2.86Å; G17-D20 CarbonylContact O-C 3.47Å; G17-D20 PolarHBondContact O-N 2.8Å; G17-Q21 VanDerWaalsContact O-CB 3.29Å; G17-Q21 WeakPolarHBondContact O-CB 3.12Å; G17-Q21 PolarHBondContact O-N 2.89Å
18A68.4Low68.7Low50 Ų5048 Ų4841%0.41324%0.244SC..Hα-helixtrans-63.3-32-177.400000114.9K14 K15 I16 Q21K14-A18 PolarHBondContact O-N 2.67Å; K15-A18 WeakPolarHBondContact O-CB 3.42Å; K15-A18 PolarHBondContact O-N 2.81Å; K15-A18 VanDerWaalsContact O-N 3.11Å; I16-A18 VanDerWaalsContact C-N 3.34Å; I16-A18 PolarHBondContact O-N 2.76Å; A18-Q21 WeakPolarHBondContact O-CB 3.06Å
19Y64.2Low68.1Low56 Ų5649.2 Ų49.222%0.2224%0.243CC..Hα-helixtrans-72.3-38.1174.8-59-55.1000112.5K15 I16 G17 Q21 V94 I148 T151K15-Y19 WeakPolarHBondContact CE-OH 3.41Å; K15-Y19 HydrophobicContact CG-CE2 3.87Å; K15-Y19 WeakPolarHBondContact O-CD2 3.04Å; K15-Y19 PolarHBondContact O-N 3.46Å; I16-Y19 PolarHBondContact O-N 2.9Å; G17-Y19 PolarHBondContact O-N 2.86Å; Y19-Q21 VanDerWaalsContact C-N 3.28Å; Y19-V94 PolarHBondContact OH-O 2.93Å; Y19-I148 HydrophobicContact CD2-CG2 4.29Å; Y19-T151 VanDerWaalsContact O-CB 3.31Å; Y19-T151 WeakPolarHBondContact O-CB 3.25Å; Y19-T151 PolarHBondContact O-OG1 2.89Å
20D65.9Low67Low5 Ų555.3 Ų55.33%0.02727%0.271CS..Hα-helixtrans-83.1-6.9176.4-168.242.6000112.6I16 G17 Q22 K63 P605 Q606 R607I16-D20 PolarHBondContact O-N 2.85Å; G17-D20 CarbonylContact O-C 3.47Å; G17-D20 PolarHBondContact O-N 2.8Å; D20-Q22 PolarHBondContact O-N 2.9Å; D20-K63 VanDerWaalsContact OD1-CE 3.26Å; D20-K63 WeakPolarHBondContact OD1-CE 3.37Å; D20-K63 WeakPolarHBondContact OD2-CE 3.42Å; D20-K63 IonicContact OD2-NZ 2.73Å; D20-K63 PolarHBondContact OD2-NZ 3.2Å; D20-P605 VanDerWaalsContact OD2-CA 3.27Å; D20-P605 WeakPolarHBondContact OD2-CA 3.36Å; D20-Q606 PolarHBondContact OD2-N 3.37Å; D20-R607 WeakPolarHBondContact OD1-CB 3.33Å; D20-R607 PolarHBondContact OD2-N 3.09Å
21Q62.8Low65.9Low37 Ų3755.1 Ų55.117%0.17326%0.262CS..  trans-72.2118-173.5-162.8-169.323.900112.4G17 A18 Y19 E25 K26 E29G17-Q21 VanDerWaalsContact O-CB 3.29Å; G17-Q21 WeakPolarHBondContact O-CB 3.12Å; G17-Q21 PolarHBondContact O-N 2.89Å; A18-Q21 WeakPolarHBondContact O-CB 3.06Å; Y19-Q21 VanDerWaalsContact C-N 3.28Å; Q21-E25 WeakPolarHBondContact CA-OE2 3.14Å; Q21-E25 HydrophobicContact CG-CB 3.74Å; Q21-K26 VanDerWaalsContact CD-CG 3.47Å; Q21-K26 HydrophobicContact CG-CD 4.4Å; Q21-K26 HydrophobicContact CG-CG 3.9Å; Q21-K26 WeakPolarHBondContact O-CE 3.22Å; Q21-K26 PolarHBondContact O-NZ 3.47Å; Q21-E29 PolarHBondContact NE2-OE1 2.82Å; Q21-E29 PolarHBondContact NE2-OE2 2.66Å
22Q62.4Low64.7Low29 Ų2952 Ų5214%0.13625%0.253CS..  trans-87171.1-174.2-59.9-167.2-84.900114.1D20 W24 E25 K26 A62 A64D20-Q22 PolarHBondContact O-N 2.9Å; Q22-W24 VanDerWaalsContact C-N 3.26Å; Q22-W24 HydrophobicContact CB-CG 4.48Å; Q22-W24 PolarHBondContact O-N 3.28Å; Q22-E25 PolarHBondContact N-OE2 3.43Å; Q22-E25 PolarHBondContact O-N 3.26Å; Q22-K26 WeakPolarHBondContact O-CB 3.48Å; Q22-K26 WeakPolarHBondContact O-CG 3.38Å; Q22-K26 PolarHBondContact O-N 3.01Å; Q22-A62 PolarHBondContact NE2-O 3.09Å; Q22-A62 PolarHBondContact OE1-O 3.22Å; Q22-A62 VanDerWaalsContact OE1-O 3.11Å; Q22-A64 VanDerWaalsContact NE2-N 3.16Å
23I49.4Very low63.6Low134 Ų13457.1 Ų57.169%0.68728%0.281SS*.Hα-helixtrans-59.2-37.6177.1-57.8172.5000111.1S27I23-S27 VanDerWaalsContact O-CB 3.22Å; I23-S27 WeakPolarHBondContact O-CB 3.2Å; I23-S27 PolarHBondContact O-N 3.06Å; I23-S27 PolarHBondContact O-OG 3.33Å
24W53.8Low61.9Low19 Ų1964 Ų647%0.07231%0.311CS..Hα-helixtrans-71.5-42.3176.970.9-97.2000112.2Q22 S27 V28 F61 I424 Y599Q22-W24 VanDerWaalsContact C-N 3.26Å; Q22-W24 HydrophobicContact CB-CG 4.48Å; Q22-W24 PolarHBondContact O-N 3.28Å; W24-S27 CarbonylContact O-C 3.21Å; W24-S27 PolarHBondContact O-N 3.13Å; W24-S27 VanDerWaalsContact O-N 3.16Å; W24-V28 WeakPolarHBondContact O-CG2 3.15Å; W24-V28 PolarHBondContact O-N 3.23Å; W24-F61 AromaticContact CD2-CD1 3.99Å; W24-F61 HydrophobicContact CD2-CD1 3.99Å; W24-F61 AromaticContact CE3-CD1 3.71Å; W24-F61 HydrophobicContact CE3-CD1 3.71Å; W24-F61 HydrophobicContact CE3-CE1 4.27Å; W24-F61 HydrophobicContact CH2-CB 4.22Å; W24-F61 HydrophobicContact CH2-CD1 4.06Å; W24-F61 HydrophobicContact CH2-CG 4.38Å; W24-F61 HydrophobicContact CZ2-CB 3.85Å; W24-F61 HydrophobicContact CZ2-CD1 4.31Å; W24-F61 HydrophobicContact CZ2-CG 4.45Å; W24-F61 AromaticContact CZ3-CD1 3.76Å; W24-F61 HydrophobicContact CZ3-CD1 3.76Å; W24-F61 HydrophobicContact CZ3-CE1 4.28Å; W24-I424 HydrophobicContact CB-CD1 4.31Å; W24-Y599 AromaticContact CZ3-CD2 3.97Å; W24-Y599 HydrophobicContact CZ3-CD2 3.97Å; W24-Y599 AromaticContact CZ3-CE2 3.75Å; W24-Y599 HydrophobicContact CZ3-CE2 3.75Å
25E60.9Low60.5Low11 Ų1158.8 Ų58.85%0.05131%0.305CS..Hα-helixtrans-59.4-48.9174.4-70.6169.7128.200110.4Q21 Q22 S27 V28 E29 K63Q21-E25 WeakPolarHBondContact CA-OE2 3.14Å; Q21-E25 HydrophobicContact CG-CB 3.74Å; Q22-E25 PolarHBondContact N-OE2 3.43Å; Q22-E25 PolarHBondContact O-N 3.26Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.08Å; E25-V28 PolarHBondContact O-N 2.68Å; E25-E29 PolarHBondContact O-N 2.69Å; E25-K63 IonicContact OE1-NZ 3.98Å; E25-K63 PolarHBondContact OE1-NZ 2.91Å; E25-K63 IonicContact OE2-NZ 2.89Å; E25-K63 PolarHBondContact OE2-NZ 3.27Å
26K57.1Low58.9Low82 Ų8264 Ų6436%0.35733%0.333SS..Hα-helixtrans-58.6-38.5174-73.5162.7177.5153.30112.4Q21 Q22 V28 Q30Q21-K26 VanDerWaalsContact CD-CG 3.47Å; Q21-K26 HydrophobicContact CG-CD 4.4Å; Q21-K26 HydrophobicContact CG-CG 3.9Å; Q21-K26 WeakPolarHBondContact O-CE 3.22Å; Q21-K26 PolarHBondContact O-NZ 3.47Å; Q22-K26 WeakPolarHBondContact O-CB 3.48Å; Q22-K26 WeakPolarHBondContact O-CG 3.38Å; Q22-K26 PolarHBondContact O-N 3.01Å; K26-V28 VanDerWaalsContact C-N 3.3Å; K26-V28 PolarHBondContact O-N 3.39Å; K26-Q30 VanDerWaalsContact O-CB 3.29Å; K26-Q30 WeakPolarHBondContact O-CB 3.29Å; K26-Q30 VanDerWaalsContact O-CG 3.27Å; K26-Q30 WeakPolarHBondContact O-CG 3.28Å; K26-Q30 PolarHBondContact O-N 3.04Å
27S55.2Low57.5Low47 Ų4774.2 Ų74.233%0.32937%0.372SS..Hα-helixtrans-78.2-9177.2-57.80000114.4I23 W24 E25 R31I23-S27 VanDerWaalsContact O-CB 3.22Å; I23-S27 WeakPolarHBondContact O-CB 3.2Å; I23-S27 PolarHBondContact O-N 3.06Å; I23-S27 PolarHBondContact O-OG 3.33Å; W24-S27 CarbonylContact O-C 3.21Å; W24-S27 PolarHBondContact O-N 3.13Å; W24-S27 VanDerWaalsContact O-N 3.16Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.08Å; S27-R31 PolarHBondContact O-NE 3.38Å; S27-R31 PolarHBondContact O-NH2 2.86Å; S27-R31 VanDerWaalsContact O-NH2 3.13Å
28V57.7Low56.3Low1 Ų180 Ų801%0.00640%0.399CS..Hα-helixtrans-96.7-47.3171.4170.50000109.8W24 E25 K26 Q30 R31 E32 L455 Y599W24-V28 WeakPolarHBondContact O-CG2 3.15Å; W24-V28 PolarHBondContact O-N 3.23Å; E25-V28 PolarHBondContact O-N 2.68Å; K26-V28 VanDerWaalsContact C-N 3.3Å; K26-V28 PolarHBondContact O-N 3.39Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 2.72Å; V28-R31 CarbonylContact O-C 3.57Å; V28-R31 WeakPolarHBondContact O-CA 3.23Å; V28-R31 WeakPolarHBondContact O-CB 3.49Å; V28-R31 PolarHBondContact O-N 3.47Å; V28-E32 HydrophobicContact CG1-CG 4.29Å; V28-E32 PolarHBondContact O-N 3.13Å; V28-L455 HydrophobicContact CG1-CD2 3.66Å; V28-Y599 HydrophobicContact CG1-CE2 4.25Å; V28-Y599 WeakPolarHBondContact CG1-OH 3.27Å
29E63.4Low54.6Low69 Ų6986.2 Ų86.232%0.32242%0.417SS..Hα-helixtrans-60.6-39.7175-75.8172.4-137.900112Q21 E25 R31 E32 I33Q21-E29 PolarHBondContact NE2-OE1 2.82Å; Q21-E29 PolarHBondContact NE2-OE2 2.66Å; E25-E29 PolarHBondContact O-N 2.69Å; E29-R31 PolarHBondContact O-N 2.87Å; E29-E32 PolarHBondContact O-N 2.82Å; E29-I33 WeakPolarHBondContact O-CB 3.24Å; E29-I33 VanDerWaalsContact O-CG1 3.24Å; E29-I33 WeakPolarHBondContact O-CG1 3.34Å; E29-I33 PolarHBondContact O-N 3.04Å
30Q56.4Low53.3Low128 Ų12890 Ų9060%0.59845%0.448SS*.Hα-helixtrans-62.3-21.1171.6-77.1-1752.200113.6K26 V28 K34K26-Q30 VanDerWaalsContact O-CB 3.29Å; K26-Q30 WeakPolarHBondContact O-CB 3.29Å; K26-Q30 VanDerWaalsContact O-CG 3.27Å; K26-Q30 WeakPolarHBondContact O-CG 3.28Å; K26-Q30 PolarHBondContact O-N 3.04Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 2.72Å; Q30-K34 WeakPolarHBondContact O-CB 3.38Å; Q30-K34 WeakPolarHBondContact O-CG 3.48Å; Q30-K34 PolarHBondContact O-N 3Å; Q30-K34 VanDerWaalsContact O-N 3.15Å
31R57.6Low52.4Low73 Ų7394.5 Ų94.528%0.27547%0.467SS..Hα-helixtrans-90.4-37.9173.8-88.1-177.4-75.9-168.6-6.8113.1S27 V28 E29 I33 L427S27-R31 PolarHBondContact O-NE 3.38Å; S27-R31 PolarHBondContact O-NH2 2.86Å; S27-R31 VanDerWaalsContact O-NH2 3.13Å; V28-R31 CarbonylContact O-C 3.57Å; V28-R31 WeakPolarHBondContact O-CA 3.23Å; V28-R31 WeakPolarHBondContact O-CB 3.49Å; V28-R31 PolarHBondContact O-N 3.47Å; E29-R31 PolarHBondContact O-N 2.87Å; R31-I33 PolarHBondContact O-N 3.17Å; R31-L427 PolarHBondContact NH1-O 2.96Å
32E56.4Low51.1Low73 Ų73102.7 Ų102.734%0.34150%0.502SS..Hα-helixtrans-56.5-39.9168.5-69.2176.4155.600109.9V28 E29 R603V28-E32 HydrophobicContact CG1-CG 4.29Å; V28-E32 PolarHBondContact O-N 3.13Å; E29-E32 PolarHBondContact O-N 2.82Å; E32-R603 VanDerWaalsContact CD-NH2 3.31Å; E32-R603 IonicContact OE1-CZ 2.81Å; E32-R603 IonicContact OE1-NH1 2.66Å; E32-R603 PolarHBondContact OE1-NH1 3.04Å; E32-R603 IonicContact OE1-NH2 2.67Å; E32-R603 PolarHBondContact OE1-NH2 3.32Å; E32-R603 IonicContact OE2-CZ 3.36Å; E32-R603 IonicContact OE2-NH2 3.54Å; E32-R603 PolarHBondContact OE2-NH2 2.95Å
33I56.4Low50Low138 Ų138107.1 Ų107.171%0.70853%0.531SS*.Hα-helixtrans-84.1-40.7-177.5-64.4166000113.8E29 R31E29-I33 WeakPolarHBondContact O-CB 3.24Å; E29-I33 VanDerWaalsContact O-CG1 3.24Å; E29-I33 WeakPolarHBondContact O-CG1 3.34Å; E29-I33 PolarHBondContact O-N 3.04Å; R31-I33 PolarHBondContact O-N 3.17Å
34K45.5Very low49.6Very low169 Ų169103 Ų10374%0.73552%0.522SS*.Hα-helixtrans-88.42.6-171.9-71-163.7167.8-168.10116.4Q30 L36Q30-K34 WeakPolarHBondContact O-CB 3.38Å; Q30-K34 WeakPolarHBondContact O-CG 3.48Å; Q30-K34 PolarHBondContact O-N 3Å; Q30-K34 VanDerWaalsContact O-N 3.15Å; K34-L36 VanDerWaalsContact C-N 3.29Å; K34-L36 PolarHBondContact O-N 3.33Å; K34-L36 VanDerWaalsContact O-N 3.17Å
35G51.2Low48.7Very low59 Ų59110.9 Ų110.961%0.60856%0.56SS**THydrogen-bonded Turntrans5737.4170.800000115.2R37G35-R37 VanDerWaalsContact C-N 3.31Å; G35-R37 PolarHBondContact O-N 2.87Å
36L46.3Very low48Very low144 Ų144114.4 Ų114.475%0.75458%0.578SS**THydrogen-bonded Turntrans49.630.8167.1-115.7172.1000118.3K34K34-L36 VanDerWaalsContact C-N 3.29Å; K34-L36 PolarHBondContact O-N 3.33Å; K34-L36 VanDerWaalsContact O-N 3.17Å
37R47.8Very low47.3Very low216 Ų216118.5 Ų118.582%0.81560%0.596SS**  trans-100.2145.7173.8-110.3162.167.5178.9-1.1114.1G35G35-R37 VanDerWaalsContact C-N 3.31Å; G35-R37 PolarHBondContact O-N 2.87Å
38N43.5Very low47.2Very low139 Ų139118.7 Ų118.774%0.74360%0.596SS**SBendtrans63.763.8162-57.713.8000118
39K33.2Very low46.9Very low182 Ų182124.6 Ų124.679%0.79163%0.628SS**  trans-141.2123144.6-76.8-160.8175.1-170.10110.9
40P35.5Very low46.8Very low134 Ų134127.4 Ų127.487%0.8764%0.644SS**  trans-67.7146.6170.830.2-34.3000110.4
41K47.5Very low47.1Very low100 Ų100124 Ų12444%0.43563%0.63SS.*  trans-144139.8178.3-68.1-174.3177.1-172.40110.1H428 S430K41-H428 PolarHBondContact NZ-O 2.95Å; K41-S430 WeakPolarHBondContact CD-OG 3.37Å; K41-S430 PolarHBondContact NZ-OG 3.04Å
42K36.7Very low47.2Very low210 Ų210123.5 Ų123.591%0.91363%0.632SS**  trans-73.1147.1168.8-69.4-173.8175.5-175.40110.4
43T37.7Very low47.6Very low121 Ų121124.3 Ų124.374%0.74264%0.642SS**  trans-74.3127.8179.7-16.20000110.9
44G41Very low47.4Very low49 Ų49121.2 Ų121.251%0.50563%0.627SS.*  trans-117.2123.5170.600000109.9L46G44-L46 PolarHBondContact O-N 3.32Å; G44-L46 VanDerWaalsContact O-N 3.09Å
45H36.3Very low48.1Very low184 Ų184113.5 Ų113.585%0.85259%0.594SS**  trans-89.463.9-165.7-150.3-61.5000113.2K47H45-K47 PolarHBondContact O-N 3.47Å
46L45.3Very low48.4Very low85 Ų85111.2 Ų111.245%0.44557%0.568SS.*  trans-64.4129172.1-76.890.1000110.5G44G44-L46 PolarHBondContact O-N 3.32Å; G44-L46 VanDerWaalsContact O-N 3.09Å
47K42.4Very low48.8Very low168 Ų168111.7 Ų111.773%0.7356%0.56SS**  trans-65.6123.6172.2-68.3-176.2177.1-179.20109.5H45 D49H45-K47 PolarHBondContact O-N 3.47Å; K47-D49 VanDerWaalsContact C-N 3.28Å; K47-D49 PolarHBondContact O-N 3.45Å
48P52.5Low49.1Very low51 Ų51101.4 Ų101.433%0.33152%0.521SS..THydrogen-bonded Turntrans-75.1-15.8-17429.4-34.5000113.9L50 L434 K591P48-L50 VanDerWaalsContact C-N 3.35Å; P48-L50 PolarHBondContact O-N 3.25Å; P48-L434 HydrophobicContact CB-CD2 3.92Å; P48-L434 HydrophobicContact CB-CG 4.38Å; P48-L434 HydrophobicContact CG-CD2 4.38Å; P48-K591 PolarHBondContact O-NZ 3.06Å
49D53Low49.5Very low125 Ų12596.7 Ų96.767%0.66850%0.499SS*.THydrogen-bonded Turntrans-78-17-159.7-46.3-69.7000114.5K47K47-D49 VanDerWaalsContact C-N 3.28Å; K47-D49 PolarHBondContact O-N 3.45Å
50L60.5Low50Low127 Ų12789.3 Ų89.367%0.66547%0.472SS*.PPolyproline II helixtrans-87.7143.4-179.2-79.868.9000111.8P48 K591P48-L50 VanDerWaalsContact C-N 3.35Å; P48-L50 PolarHBondContact O-N 3.25Å; L50-K591 WeakPolarHBondContact O-CE 3.42Å; L50-K591 PolarHBondContact O-NZ 3.04Å; L50-K591 VanDerWaalsContact O-NZ 3.08Å
51I61.9Low50.7Low57 Ų5783.7 Ų83.729%0.29243%0.434SS..PPolyproline II helixtrans-92.4117.2165-64.8162.3000107.4V53 V56 K591 V705I51-V53 PolarHBondContact O-N 3.07Å; I51-V56 HydrophobicContact CG2-CG2 3.59Å; I51-K591 HydrophobicContact CG1-CB 4.29Å; I51-K591 HydrophobicContact CG1-CD 3.91Å; I51-K591 HydrophobicContact CG1-CG 4.09Å; I51-V705 HydrophobicContact CD1-CG1 3.9Å
52D60.2Low50.5Low62 Ų6281.7 Ų81.733%0.33244%0.436SS..PPolyproline II helixtrans-69.5119.6174.2175.37.7000110.4D54 L55 V56D52-D54 VanDerWaalsContact C-N 3.26Å; D52-D54 PolarHBondContact O-N 2.88Å; D52-D54 WeakPolarHBondContact OD1-CB 3.5Å; D52-D54 PolarHBondContact OD1-N 2.89Å; D52-L55 HydrophobicContact CB-CB 3.83Å; D52-L55 WeakPolarHBondContact O-CB 3.46Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 VanDerWaalsContact O-N 3.13Å; D52-V56 PolarHBondContact O-N 3.45Å
53V64.3Low51.2Low90 Ų9073.7 Ų73.755%0.54540%0.401SS..Hα-helixtrans-63.1-34.5178.4178.10000111I51 L55 V56 R57I51-V53 PolarHBondContact O-N 3.07Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.4Å; V53-V56 PolarHBondContact O-N 2.95Å; V53-R57 VanDerWaalsContact O-CB 3.29Å; V53-R57 WeakPolarHBondContact O-CB 3.49Å; V53-R57 PolarHBondContact O-N 3.36Å
54D53.3Low51.5Low74 Ų7469.1 Ų69.140%0.39638%0.376SS..Hα-helixtrans-74.7-18.9177.1-93.7-14.6000112.8D52 G58 S59 A60D52-D54 VanDerWaalsContact C-N 3.26Å; D52-D54 PolarHBondContact O-N 2.88Å; D52-D54 WeakPolarHBondContact OD1-CB 3.5Å; D52-D54 PolarHBondContact OD1-N 2.89Å; D54-G58 CarbonylContact O-C 3.57Å; D54-G58 WeakPolarHBondContact O-CA 3.25Å; D54-G58 PolarHBondContact O-N 3.31Å; D54-S59 VanDerWaalsContact CG-OG 3.3Å; D54-S59 PolarHBondContact O-N 3.11Å; D54-S59 WeakPolarHBondContact OD1-CB 3.38Å; D54-S59 PolarHBondContact OD1-OG 3.37Å; D54-A60 PolarHBondContact O-N 2.89Å; D54-A60 VanDerWaalsContact O-N 3.12Å
55L60.1Low51.6Low6 Ų675.7 Ų75.73%0.03139%0.39CS..Hα-helixtrans-73.3-39.6166.2-174.361000111.2D52 V53 G58 A60 F61 W426 S598D52-L55 HydrophobicContact CB-CB 3.83Å; D52-L55 WeakPolarHBondContact O-CB 3.46Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L55 VanDerWaalsContact O-N 3.13Å; V53-L55 VanDerWaalsContact C-N 3.29Å; V53-L55 PolarHBondContact O-N 3.4Å; L55-G58 WeakPolarHBondContact O-CA 3.16Å; L55-G58 PolarHBondContact O-N 2.87Å; L55-A60 HydrophobicContact CD1-CB 4.33Å; L55-F61 HydrophobicContact CD1-CE2 3.86Å; L55-F61 HydrophobicContact CD1-CZ 4.1Å; L55-W426 HydrophobicContact CD1-CE3 4.41Å; L55-W426 HydrophobicContact CD1-CZ3 4.46Å; L55-W426 HydrophobicContact CD2-CD2 4.15Å; L55-W426 HydrophobicContact CD2-CE3 3.96Å; L55-W426 HydrophobicContact CD2-CH2 3.61Å; L55-W426 HydrophobicContact CD2-CZ2 3.79Å; L55-W426 HydrophobicContact CD2-CZ3 3.69Å; L55-S598 WeakPolarHBondContact O-CB 3.43Å; L55-S598 PolarHBondContact O-OG 3.39Å
56V56.9Low51.9Low12 Ų1270.4 Ų70.47%0.07337%0.372CS..Hα-helixtrans-77.6-39.1-179.5-168.10000112.8I51 D52 V53 G58 L594 L712 L713 L716I51-V56 HydrophobicContact CG2-CG2 3.59Å; D52-V56 PolarHBondContact O-N 3.45Å; V53-V56 PolarHBondContact O-N 2.95Å; V56-G58 PolarHBondContact O-N 2.82Å; V56-L594 HydrophobicContact CG1-CB 4.33Å; V56-L594 HydrophobicContact CG1-CD1 4.32Å; V56-L594 HydrophobicContact CG1-CD2 3.93Å; V56-L594 HydrophobicContact CG1-CG 4.42Å; V56-L594 HydrophobicContact CG2-CB 4.13Å; V56-L594 HydrophobicContact CG2-CD1 3.97Å; V56-L712 HydrophobicContact CB-CD2 4.1Å; V56-L712 HydrophobicContact CG1-CD2 3.39Å; V56-L713 HydrophobicContact CG1-CD1 4.22Å; V56-L716 HydrophobicContact CG1-CD1 4.4Å
57R55.8Low51.7Low154 Ų15473 Ų7358%0.58138%0.382SS*.Hα-helixtrans-66.3-25166-165.9173.3-159.8-178.86.9111.5V53 S59 R602 L716V53-R57 VanDerWaalsContact O-CB 3.29Å; V53-R57 WeakPolarHBondContact O-CB 3.49Å; V53-R57 PolarHBondContact O-N 3.36Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-R602 PolarHBondContact O-NH2 3.41Å; R57-L716 HydrophobicContact CB-CD1 4.24Å; R57-L716 HydrophobicContact CB-CD2 4.31Å; R57-L716 HydrophobicContact CG-CD2 3.89Å
58G53.8Low52.1Low0 Ų066.4 Ų66.40%036%0.357CS..THydrogen-bonded Turntrans78.313.8179.700000114.3D54 L55 V56 A60 F61 S598 R602D54-G58 CarbonylContact O-C 3.57Å; D54-G58 WeakPolarHBondContact O-CA 3.25Å; D54-G58 PolarHBondContact O-N 3.31Å; L55-G58 WeakPolarHBondContact O-CA 3.16Å; L55-G58 PolarHBondContact O-N 2.87Å; V56-G58 PolarHBondContact O-N 2.82Å; G58-A60 PolarHBondContact O-N 3.09Å; G58-F61 CarbonylContact O-C 3.55Å; G58-F61 WeakPolarHBondContact O-CA 3.35Å; G58-F61 PolarHBondContact O-N 3.2Å; G58-S598 WeakPolarHBondContact CA-OG 3.13Å; G58-R602 VanDerWaalsContact C-NH2 3.28Å; G58-R602 PolarHBondContact O-NE 3.22Å; G58-R602 PolarHBondContact O-NH1 3.13Å; G58-R602 PolarHBondContact O-NH2 2.83Å
59S52.2Low52.5Low39 Ų3968.2 Ų68.227%0.27337%0.369SS..G310 helixtrans-51.1-33.1169.5-37.20000111.8D54 R57 F61 A62D54-S59 VanDerWaalsContact CG-OG 3.3Å; D54-S59 PolarHBondContact O-N 3.11Å; D54-S59 WeakPolarHBondContact OD1-CB 3.38Å; D54-S59 PolarHBondContact OD1-OG 3.37Å; R57-S59 VanDerWaalsContact C-N 3.34Å; S59-F61 PolarHBondContact O-N 2.89Å; S59-F61 VanDerWaalsContact O-N 3.08Å; S59-A62 VanDerWaalsContact O-CB 3.3Å; S59-A62 WeakPolarHBondContact O-CB 3.43Å; S59-A62 PolarHBondContact O-N 3.33Å
60A43.7Very low52.9Low27 Ų2770.4 Ų70.422%0.22337%0.368CS..G310 helixtrans-55.9-22.1170.200000114.3D54 L55 G58D54-A60 PolarHBondContact O-N 2.89Å; D54-A60 VanDerWaalsContact O-N 3.12Å; L55-A60 HydrophobicContact CD1-CB 4.33Å; G58-A60 PolarHBondContact O-N 3.09Å
61F48.9Very low53.4Low17 Ų1768.1 Ų68.18%0.07536%0.359CS..G310 helixtrans-113.147.7173.9-52.3-64.8000110.5W24 L55 G58 S59 K63 Y599 R602W24-F61 AromaticContact CD2-CD1 3.99Å; W24-F61 HydrophobicContact CD2-CD1 3.99Å; W24-F61 AromaticContact CE3-CD1 3.71Å; W24-F61 HydrophobicContact CE3-CD1 3.71Å; W24-F61 HydrophobicContact CE3-CE1 4.27Å; W24-F61 HydrophobicContact CH2-CB 4.22Å; W24-F61 HydrophobicContact CH2-CD1 4.06Å; W24-F61 HydrophobicContact CH2-CG 4.38Å; W24-F61 HydrophobicContact CZ2-CB 3.85Å; W24-F61 HydrophobicContact CZ2-CD1 4.31Å; W24-F61 HydrophobicContact CZ2-CG 4.45Å; W24-F61 AromaticContact CZ3-CD1 3.76Å; W24-F61 HydrophobicContact CZ3-CD1 3.76Å; W24-F61 HydrophobicContact CZ3-CE1 4.28Å; L55-F61 HydrophobicContact CD1-CE2 3.86Å; L55-F61 HydrophobicContact CD1-CZ 4.1Å; G58-F61 CarbonylContact O-C 3.55Å; G58-F61 WeakPolarHBondContact O-CA 3.35Å; G58-F61 PolarHBondContact O-N 3.2Å; S59-F61 PolarHBondContact O-N 2.89Å; S59-F61 VanDerWaalsContact O-N 3.08Å; F61-K63 PolarHBondContact O-N 3.49Å; F61-Y599 HydrophobicContact CD1-CD2 4.47Å; F61-Y599 AromaticContact CE1-CD2 3.86Å; F61-Y599 HydrophobicContact CE1-CD2 3.86Å; F61-Y599 AromaticContact CZ-CD2 3.96Å; F61-Y599 HydrophobicContact CZ-CD2 3.96Å; F61-R602 PolarHBondContact O-NH1 3.05Å
62A44Very low53.6Low58 Ų5866.6 Ų66.648%0.47935%0.353SS..  trans-63.3116.6-175.700000113.3Q22 S59Q22-A62 PolarHBondContact NE2-O 3.09Å; Q22-A62 PolarHBondContact OE1-O 3.22Å; Q22-A62 VanDerWaalsContact OE1-O 3.11Å; S59-A62 VanDerWaalsContact O-CB 3.3Å; S59-A62 WeakPolarHBondContact O-CB 3.43Å; S59-A62 PolarHBondContact O-N 3.33Å
63K52Low54.1Low42 Ų4264.2 Ų64.218%0.18334%0.34CS..  trans-71.1145.8175.8-148.381.6-173.8-179.20111.8D20 E25 F61 K65 G604D20-K63 VanDerWaalsContact OD1-CE 3.26Å; D20-K63 WeakPolarHBondContact OD1-CE 3.37Å; D20-K63 WeakPolarHBondContact OD2-CE 3.42Å; D20-K63 IonicContact OD2-NZ 2.73Å; D20-K63 PolarHBondContact OD2-NZ 3.2Å; E25-K63 IonicContact OE1-NZ 3.98Å; E25-K63 PolarHBondContact OE1-NZ 2.91Å; E25-K63 IonicContact OE2-NZ 2.89Å; E25-K63 PolarHBondContact OE2-NZ 3.27Å; F61-K63 PolarHBondContact O-N 3.49Å; K63-K65 PolarHBondContact O-N 2.84Å; K63-K65 VanDerWaalsContact O-N 3.12Å; K63-G604 PolarHBondContact NZ-O 2.97Å
64A44.4Very low54.6Low25 Ų2561.6 Ų61.621%0.20733%0.325CS..  trans-74.8102-170.700000113.1Q22 R607Q22-A64 VanDerWaalsContact NE2-N 3.16Å; A64-R607 PolarHBondContact O-NH1 3.33Å
65K42.2Very low56Low186 Ų18663.6 Ų63.681%0.80933%0.327SS*.  trans-52.9147.4165.8-64.9-174.6178.8-176.80110.5K63K63-K65 PolarHBondContact O-N 2.84Å; K63-K65 VanDerWaalsContact O-N 3.12Å
66P43.1Very low57Low73 Ų7368.5 Ų68.547%0.47435%0.348SS..  trans-60.4141.5171.6-21.233.3000111.6S68P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 2.82Å
67E41Very low58.2Low140 Ų14068 Ų6865%0.65435%0.345SS*.SBendtrans-84.10.2178.2-59.6-168.5133.200113.4R152E67-R152 HydrophobicContact CG-CG 4.46Å; E67-R152 IonicContact OE1-CZ 3.97Å; E67-R152 IonicContact OE1-NE 3.05Å; E67-R152 PolarHBondContact OE1-NE 2.67Å; E67-R152 IonicContact OE1-NH2 3.47Å; E67-R152 PolarHBondContact OE1-NH2 2.89Å
68S49.6Very low59.7Low30 Ų3061.7 Ų61.721%0.2132%0.323CS..SBendtrans-140.5148.4176.262.20000109.9P66P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 2.82Å
69P62.5Low61.3Low88 Ų8864.1 Ų64.157%0.57134%0.338SS*.  trans-55.6144.917224.2-34000110.9T71 S72 L73P69-T71 PolarHBondContact O-N 3.05Å; P69-S72 WeakPolarHBondContact O-CB 3.43Å; P69-S72 PolarHBondContact O-N 3.35Å; P69-L73 PolarHBondContact O-N 3.21Å
70W61.6Low62.9Low172 Ų17265.3 Ų65.365%0.65234%0.336SS*.Hα-helixtrans-53.3-39-173.263.5-75.3000112.9S72 L73 T74W70-S72 PolarHBondContact O-N 3.43Å; W70-L73 PolarHBondContact O-N 2.84Å; W70-T74 PolarHBondContact O-N 2.9Å; W70-T74 PolarHBondContact O-OG1 3.15Å
71T69Low65Low79 Ų7964.4 Ų64.449%0.48533%0.328SS..Hα-helixtrans-56-46.1174.654.10000113.2P69 L73 T74 R75P69-T71 PolarHBondContact O-N 3.05Å; T71-L73 VanDerWaalsContact C-N 3.3Å; T71-L73 PolarHBondContact O-N 3.38Å; T71-T74 PolarHBondContact O-N 3.27Å; T71-R75 WeakPolarHBondContact O-CB 3.36Å; T71-R75 PolarHBondContact O-N 2.74Å
72S67.8Low66.9Low24 Ų2465.9 Ų65.917%0.16834%0.338CS..Hα-helixtrans-65.7-33.9178.5-168.80000112.2P69 W70 K76P69-S72 WeakPolarHBondContact O-CB 3.43Å; P69-S72 PolarHBondContact O-N 3.35Å; W70-S72 PolarHBondContact O-N 3.43Å; S72-K76 WeakPolarHBondContact O-CD 3.37Å; S72-K76 VanDerWaalsContact O-CG 3.28Å; S72-K76 WeakPolarHBondContact O-CG 3.36Å; S72-K76 PolarHBondContact O-N 3.35Å
73L69.6Low68.9Low12 Ų1268 Ų686%0.06334%0.337CS..Hα-helixtrans-74.6-44.2177.2179.353.1000111.6P69 W70 T71 K76 G77 Q147 S150P69-L73 PolarHBondContact O-N 3.21Å; W70-L73 PolarHBondContact O-N 2.84Å; T71-L73 VanDerWaalsContact C-N 3.3Å; T71-L73 PolarHBondContact O-N 3.38Å; L73-K76 PolarHBondContact O-N 2.92Å; L73-G77 PolarHBondContact O-N 2.93Å; L73-Q147 HydrophobicContact CD2-CB 4.38Å; L73-Q147 HydrophobicContact CD2-CG 4.09Å; L73-Q147 HydrophobicContact CG-CG 4.04Å; L73-S150 VanDerWaalsContact CD1-CB 3.42Å
74T75.1Confident70.6Confident35 Ų3566.3 Ų66.322%0.21533%0.329CS..Hα-helixtrans-61.3-45174.3-60.30000111.4W70 T71 K76 G77 I78 Q147W70-T74 PolarHBondContact O-N 2.9Å; W70-T74 PolarHBondContact O-OG1 3.15Å; T71-T74 PolarHBondContact O-N 3.27Å; T74-K76 VanDerWaalsContact C-N 3.35Å; T74-K76 PolarHBondContact O-N 3.16Å; T74-G77 CarbonylContact O-C 3.55Å; T74-G77 WeakPolarHBondContact O-CA 3.32Å; T74-G77 PolarHBondContact O-N 2.77Å; T74-I78 HydrophobicContact CG2-CD1 4.04Å; T74-I78 HydrophobicContact CG2-CG1 4.42Å; T74-I78 WeakPolarHBondContact O-CG1 3.46Å; T74-I78 PolarHBondContact O-N 2.87Å; T74-Q147 PolarHBondContact OG1-NE2 3.26Å
75R82.4Confident72.7Confident117 Ų11767.3 Ų67.344%0.44233%0.334SS..Hα-helixtrans-58.4-43.5175.5-171.9171.569.9-161.26.7112.4T71 G77 I78 V79T71-R75 WeakPolarHBondContact O-CB 3.36Å; T71-R75 PolarHBondContact O-N 2.74Å; R75-G77 VanDerWaalsContact C-N 3.29Å; R75-G77 PolarHBondContact O-N 2.78Å; R75-I78 PolarHBondContact O-N 2.96Å; R75-V79 WeakPolarHBondContact O-CG2 3.28Å; R75-V79 PolarHBondContact O-N 2.86Å
76K81.3Confident74.8Confident108 Ų10865.8 Ų65.847%0.4733%0.327SS..Hα-helixtrans-66.3-29.2173.8-73.8168.8-177.4167.80112.9S72 L73 T74 R80S72-K76 WeakPolarHBondContact O-CD 3.37Å; S72-K76 VanDerWaalsContact O-CG 3.28Å; S72-K76 WeakPolarHBondContact O-CG 3.36Å; S72-K76 PolarHBondContact O-N 3.35Å; L73-K76 PolarHBondContact O-N 2.92Å; T74-K76 VanDerWaalsContact C-N 3.35Å; T74-K76 PolarHBondContact O-N 3.16Å; K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 WeakPolarHBondContact O-CD 3.41Å; K76-R80 VanDerWaalsContact O-CG 3.24Å; K76-R80 WeakPolarHBondContact O-CG 3.2Å; K76-R80 PolarHBondContact O-N 3.03Å
77G83Confident76.8Confident1 Ų165.9 Ų65.91%0.0132%0.321CS..Hα-helixtrans-67.4-53.1171.400000112L73 T74 R75 V79 R80 V81L73-G77 PolarHBondContact O-N 2.93Å; T74-G77 CarbonylContact O-C 3.55Å; T74-G77 WeakPolarHBondContact O-CA 3.32Å; T74-G77 PolarHBondContact O-N 2.77Å; R75-G77 VanDerWaalsContact C-N 3.29Å; R75-G77 PolarHBondContact O-N 2.78Å; G77-V79 PolarHBondContact O-N 3.01Å; G77-R80 PolarHBondContact O-N 3.19Å; G77-V81 WeakPolarHBondContact O-CG2 3.47Å; G77-V81 PolarHBondContact O-N 3.04Å; G77-V81 VanDerWaalsContact O-N 3.07Å
78I86.5Confident78.9Confident22 Ų2264.1 Ų64.111%0.11331%0.309CS..Hα-helixtrans-52-54179.6-69.5167.7000110.4T74 R75 R80 V81 V82 L139 T143 W213T74-I78 HydrophobicContact CG2-CD1 4.04Å; T74-I78 HydrophobicContact CG2-CG1 4.42Å; T74-I78 WeakPolarHBondContact O-CG1 3.46Å; T74-I78 PolarHBondContact O-N 2.87Å; R75-I78 PolarHBondContact O-N 2.96Å; I78-R80 VanDerWaalsContact C-N 3.27Å; I78-R80 PolarHBondContact O-N 3.29Å; I78-V81 PolarHBondContact O-N 3.47Å; I78-V81 VanDerWaalsContact O-N 3.07Å; I78-V82 HydrophobicContact CG2-CG2 4.3Å; I78-V82 WeakPolarHBondContact O-CG2 3.32Å; I78-V82 PolarHBondContact O-N 2.93Å; I78-L139 HydrophobicContact CB-CD1 4.35Å; I78-L139 HydrophobicContact CG1-CD1 4.17Å; I78-L139 HydrophobicContact CG2-CD1 4.23Å; I78-T143 HydrophobicContact CG1-CG2 3.8Å; I78-W213 HydrophobicContact CG2-CH2 4.44Å
79V87.4Confident80.5Confident52 Ų5271.6 Ų71.632%0.31533%0.332SS..Hα-helixtrans-58.2-36.9179.3174.30000112.3R75 G77 F83 F87R75-V79 WeakPolarHBondContact O-CG2 3.28Å; R75-V79 PolarHBondContact O-N 2.86Å; G77-V79 PolarHBondContact O-N 3.01Å; V79-F83 HydrophobicContact CG1-CD2 4.17Å; V79-F83 WeakPolarHBondContact O-CB 3.19Å; V79-F83 WeakPolarHBondContact O-CD2 3.23Å; V79-F83 PolarHBondContact O-N 3.13Å; V79-F83 VanDerWaalsContact O-N 3.07Å; V79-F87 HydrophobicContact CG1-CE2 4.18Å; V79-F87 HydrophobicContact CG1-CZ 4.38Å
80R86.7Confident81.6Confident63 Ų6369.9 Ų69.924%0.23831%0.314CS..Hα-helixtrans-75.3-19.7178.7-76.4174.9179.7168.70.6114.9K76 G77 I78 F84 F87 W90 W91K76-R80 WeakPolarHBondContact O-CB 3.3Å; K76-R80 WeakPolarHBondContact O-CD 3.41Å; K76-R80 VanDerWaalsContact O-CG 3.24Å; K76-R80 WeakPolarHBondContact O-CG 3.2Å; K76-R80 PolarHBondContact O-N 3.03Å; G77-R80 PolarHBondContact O-N 3.19Å; I78-R80 VanDerWaalsContact C-N 3.27Å; I78-R80 PolarHBondContact O-N 3.29Å; R80-F84 WeakPolarHBondContact O-CA 3.3Å; R80-F87 HydrophobicContact CB-CD2 4.25Å; R80-F87 HydrophobicContact CG-CD1 4.29Å; R80-F87 HydrophobicContact CG-CD2 3.92Å; R80-F87 HydrophobicContact CG-CE2 4.15Å; R80-F87 HydrophobicContact CG-CG 3.99Å; R80-F87 HydrophobicContact CG-CZ 4.45Å; R80-W90 VanDerWaalsContact NH1-CE2 3.27Å; R80-W91 HydrophobicContact CB-CZ2 4.28Å; R80-W91 PolarHBondContact O-NE1 2.88Å
81V87.6Confident82.6Confident8 Ų861.9 Ų61.95%0.04828%0.284CS..Hα-helixtrans-92.3-42.2176.8179.80000110.3G77 I78 F83 F84 W91 Y107 M138 L139G77-V81 WeakPolarHBondContact O-CG2 3.47Å; G77-V81 PolarHBondContact O-N 3.04Å; G77-V81 VanDerWaalsContact O-N 3.07Å; I78-V81 PolarHBondContact O-N 3.47Å; I78-V81 VanDerWaalsContact O-N 3.07Å; V81-F83 VanDerWaalsContact C-N 3.35Å; V81-F83 PolarHBondContact O-N 3.43Å; V81-F84 WeakPolarHBondContact O-CB 3.39Å; V81-F84 PolarHBondContact O-N 3.32Å; V81-W91 HydrophobicContact CG2-CH2 4.26Å; V81-W91 HydrophobicContact CG2-CZ2 4.05Å; V81-Y107 WeakPolarHBondContact O-CE2 3.34Å; V81-M138 HydrophobicContact CG1-CG 4.12Å; V81-L139 HydrophobicContact CB-CD1 4.2Å; V81-L139 HydrophobicContact CG1-CD1 4.27Å
82V88.1Confident83.3Confident49 Ų4960.7 Ų60.730%0.29727%0.274SS..Hα-helixtrans-61.7-44.8174.5173.40000110.5I78 F84 Y107 L139 W213I78-V82 HydrophobicContact CG2-CG2 4.3Å; I78-V82 WeakPolarHBondContact O-CG2 3.32Å; I78-V82 PolarHBondContact O-N 2.93Å; V82-F84 PolarHBondContact O-N 2.88Å; V82-Y107 PolarHBondContact O-OH 2.7Å; V82-L139 HydrophobicContact CG2-CD1 4.36Å; V82-W213 HydrophobicContact CB-CH2 4.46Å; V82-W213 HydrophobicContact CG1-CH2 4.16Å; V82-W213 HydrophobicContact CG1-CZ2 4.41Å; V82-W213 HydrophobicContact CG2-CH2 4Å; V82-W213 HydrophobicContact CG2-CZ2 4.09Å
83F86.4Confident84Confident102 Ų10267.2 Ų67.245%0.44730%0.302SS..THydrogen-bonded Turntrans-9840.8174.9-62.3-78.2000112.9V79 V81 F86 F87V79-F83 HydrophobicContact CG1-CD2 4.17Å; V79-F83 WeakPolarHBondContact O-CB 3.19Å; V79-F83 WeakPolarHBondContact O-CD2 3.23Å; V79-F83 PolarHBondContact O-N 3.13Å; V79-F83 VanDerWaalsContact O-N 3.07Å; V81-F83 VanDerWaalsContact C-N 3.35Å; V81-F83 PolarHBondContact O-N 3.43Å; F83-F86 HydrophobicContact CB-CB 4.41Å; F83-F86 HydrophobicContact CB-CD2 3.88Å; F83-F86 AromaticContact CD1-CD2 3.95Å; F83-F86 HydrophobicContact CD1-CD2 3.95Å; F83-F86 HydrophobicContact CD1-CE2 4.05Å; F83-F86 HydrophobicContact CG-CD2 4.42Å; F83-F86 PolarHBondContact O-N 2.87Å; F83-F86 VanDerWaalsContact O-N 3.13Å; F83-F87 HydrophobicContact CB-CD2 4.21Å; F83-F87 HydrophobicContact CB-CE2 4.01Å; F83-F87 WeakPolarHBondContact O-CD2 3.34Å
84F87Confident84.3Confident7 Ų767.3 Ų67.33%0.03130%0.303CS..G310 helixtrans-43.7-53.3-175.7-169.2-94.8000115.7R80 V81 V82 F86 F87 W91 F100 L103 L104 Y107R80-F84 WeakPolarHBondContact O-CA 3.3Å; V81-F84 WeakPolarHBondContact O-CB 3.39Å; V81-F84 PolarHBondContact O-N 3.32Å; V82-F84 PolarHBondContact O-N 2.88Å; F84-F86 VanDerWaalsContact C-N 3.34Å; F84-F86 PolarHBondContact O-N 2.86Å; F84-F87 PolarHBondContact O-N 2.83Å; F84-W91 HydrophobicContact CD2-CD2 4.08Å; F84-W91 AromaticContact CD2-CE2 3.53Å; F84-W91 HydrophobicContact CD2-CG 4.43Å; F84-W91 HydrophobicContact CD2-CH2 4.41Å; F84-W91 AromaticContact CD2-CZ2 3.76Å; F84-W91 HydrophobicContact CD2-CZ2 3.76Å; F84-W91 AromaticContact CD2-NE1 3.54Å; F84-W91 AromaticContact CE2-CD2 3.49Å; F84-W91 HydrophobicContact CE2-CD2 3.49Å; F84-W91 VanDerWaalsContact CE2-CD2 3.49Å; F84-W91 AromaticContact CE2-CE2 3.43Å; F84-W91 VanDerWaalsContact CE2-CE2 3.43Å; F84-W91 AromaticContact CE2-CE3 3.81Å; F84-W91 HydrophobicContact CE2-CE3 3.81Å; F84-W91 AromaticContact CE2-CG 3.92Å; F84-W91 HydrophobicContact CE2-CG 3.92Å; F84-W91 HydrophobicContact CE2-CH2 4.07Å; F84-W91 AromaticContact CE2-CZ2 3.77Å; F84-W91 HydrophobicContact CE2-CZ2 3.77Å; F84-W91 HydrophobicContact CE2-CZ3 4.06Å; F84-W91 AromaticContact CE2-NE1 3.75Å; F84-W91 HydrophobicContact CZ-CD2 4.16Å; F84-W91 HydrophobicContact CZ-CE3 4.45Å; F84-W91 HydrophobicContact CZ-CG 4.22Å; F84-F100 HydrophobicContact CD1-CE2 4.15Å; F84-F100 AromaticContact CE1-CD2 3.73Å; F84-F100 HydrophobicContact CE1-CD2 3.73Å; F84-F100 AromaticContact CE1-CE2 3.43Å; F84-F100 HydrophobicContact CE1-CE2 3.43Å; F84-F100 VanDerWaalsContact CE1-CE2 3.43Å; F84-F100 HydrophobicContact CE1-CZ 4.38Å; F84-F100 AromaticContact CZ-CD2 3.76Å; F84-F100 HydrophobicContact CZ-CD2 3.76Å; F84-F100 AromaticContact CZ-CE2 3.88Å; F84-F100 HydrophobicContact CZ-CE2 3.88Å; F84-L103 HydrophobicContact CE1-CB 4.16Å; F84-L103 HydrophobicContact CE2-CB 4.25Å; F84-L103 HydrophobicContact CZ-CB 3.55Å; F84-L103 HydrophobicContact CZ-CD1 4.4Å; F84-L104 HydrophobicContact CD1-CD1 4.04Å; F84-L104 HydrophobicContact CE1-CB 3.98Å; F84-L104 HydrophobicContact CE1-CD1 4.3Å; F84-Y107 HydrophobicContact CB-CD1 4.49Å; F84-Y107 HydrophobicContact CB-CD2 3.7Å; F84-Y107 HydrophobicContact CB-CE2 3.7Å; F84-Y107 HydrophobicContact CB-CG 4.11Å; F84-Y107 HydrophobicContact CD1-CG 4.47Å; F84-Y107 HydrophobicContact CG-CD2 4.36Å
85P88.1Confident84.4Confident46 Ų4666.3 Ų66.330%0.29930%0.297SS..G310 helixtrans-63.4-35.7-177.423.2-34.1000113.4F87 Y88 L104 Y107P85-F87 PolarHBondContact O-N 2.89Å; P85-Y88 WeakPolarHBondContact O-CB 3.44Å; P85-Y88 PolarHBondContact O-N 3.25Å; P85-L104 HydrophobicContact CB-CD1 4.11Å; P85-Y107 HydrophobicContact CG-CE1 4.14Å
86F87.9Confident84.5Confident154 Ų15462.9 Ų62.968%0.67529%0.291SS*.G310 helixtrans-65.4-28.4-177.7-62.4-85.3000112.7F83 F84 Y88F83-F86 HydrophobicContact CB-CB 4.41Å; F83-F86 HydrophobicContact CB-CD2 3.88Å; F83-F86 AromaticContact CD1-CD2 3.95Å; F83-F86 HydrophobicContact CD1-CD2 3.95Å; F83-F86 HydrophobicContact CD1-CE2 4.05Å; F83-F86 HydrophobicContact CG-CD2 4.42Å; F83-F86 PolarHBondContact O-N 2.87Å; F83-F86 VanDerWaalsContact O-N 3.13Å; F84-F86 VanDerWaalsContact C-N 3.34Å; F84-F86 PolarHBondContact O-N 2.86Å; F86-Y88 PolarHBondContact O-N 2.65Å
87F85.1Confident84.6Confident75 Ų7565.3 Ų65.333%0.32930%0.301SS..G310 helixtrans-92.518.1179.4-69.1-73000114.3V79 R80 F83 F84 P85 R89 W90 W91V79-F87 HydrophobicContact CG1-CE2 4.18Å; V79-F87 HydrophobicContact CG1-CZ 4.38Å; R80-F87 HydrophobicContact CB-CD2 4.25Å; R80-F87 HydrophobicContact CG-CD1 4.29Å; R80-F87 HydrophobicContact CG-CD2 3.92Å; R80-F87 HydrophobicContact CG-CE2 4.15Å; R80-F87 HydrophobicContact CG-CG 3.99Å; R80-F87 HydrophobicContact CG-CZ 4.45Å; F83-F87 HydrophobicContact CB-CD2 4.21Å; F83-F87 HydrophobicContact CB-CE2 4.01Å; F83-F87 WeakPolarHBondContact O-CD2 3.34Å; F84-F87 PolarHBondContact O-N 2.83Å; P85-F87 PolarHBondContact O-N 2.89Å; F87-R89 VanDerWaalsContact C-N 3.28Å; F87-R89 PolarHBondContact O-N 3Å; F87-R89 VanDerWaalsContact O-N 3.07Å; F87-W90 PolarHBondContact O-N 3.42Å; F87-W91 PolarHBondContact O-N 3.28Å; F87-W91 VanDerWaalsContact O-N 3.11Å
88Y83.3Confident84.8Confident103 Ų10367.6 Ų67.640%0.40433%0.325SS..Hα-helixtrans-46.4-43.2-175.272.9-84.5000114.6P85 F86 W90 W91 I92 F100P85-Y88 WeakPolarHBondContact O-CB 3.44Å; P85-Y88 PolarHBondContact O-N 3.25Å; F86-Y88 PolarHBondContact O-N 2.65Å; Y88-W90 VanDerWaalsContact C-N 3.29Å; Y88-W90 PolarHBondContact O-N 3.42Å; Y88-W91 PolarHBondContact O-N 3.44Å; Y88-I92 HydrophobicContact CD2-CD1 4.12Å; Y88-I92 WeakPolarHBondContact O-CB 3.4Å; Y88-I92 VanDerWaalsContact O-CG1 3.25Å; Y88-I92 WeakPolarHBondContact O-CG1 3.36Å; Y88-I92 PolarHBondContact O-N 2.96Å; Y88-F100 VanDerWaalsContact CB-CZ 3.41Å
89R83.6Confident84.8Confident186 Ų18669 Ų6970%0.70233%0.332SS*.Hα-helixtrans-58.4-40.8180-63.5-172.2179-174.1-1.4112.2F87 Q93F87-R89 VanDerWaalsContact C-N 3.28Å; F87-R89 PolarHBondContact O-N 3Å; F87-R89 VanDerWaalsContact O-N 3.07Å; R89-Q93 WeakPolarHBondContact O-CB 3.43Å; R89-Q93 PolarHBondContact O-N 3.05Å
90W85.7Confident84.8Confident52 Ų5267.2 Ų67.220%0.19732%0.32CS..Hα-helixtrans-73.2-47177.6-177.578.2000111R80 F87 Y88 I92 Q93 V94 C146 V149R80-W90 VanDerWaalsContact NH1-CE2 3.27Å; F87-W90 PolarHBondContact O-N 3.42Å; Y88-W90 VanDerWaalsContact C-N 3.29Å; Y88-W90 PolarHBondContact O-N 3.42Å; W90-I92 VanDerWaalsContact C-N 3.35Å; W90-I92 PolarHBondContact O-N 2.99Å; W90-Q93 PolarHBondContact O-N 3.01Å; W90-V94 HydrophobicContact CD2-CG2 4.1Å; W90-V94 HydrophobicContact CG-CG2 4.49Å; W90-V94 HydrophobicContact CH2-CG2 4.37Å; W90-V94 HydrophobicContact CZ2-CG2 3.83Å; W90-V94 WeakPolarHBondContact O-CB 3.43Å; W90-V94 VanDerWaalsContact O-CG2 3.25Å; W90-V94 WeakPolarHBondContact O-CG2 3.31Å; W90-V94 PolarHBondContact O-N 2.91Å; W90-C146 HydrophobicContact CH2-CB 4.36Å; W90-C146 VanDerWaalsContact CH2-SG 3.57Å; W90-V149 HydrophobicContact CH2-CG1 4.33Å; W90-V149 HydrophobicContact CZ2-CG1 3.78Å
91W83.4Confident85Confident5 Ų569.3 Ų69.32%0.01934%0.336CS..Hα-helixtrans-61.1-39.6179.5-75.2112.4000113R80 V81 F84 F87 Y88 V94 T95 F100 H145R80-W91 HydrophobicContact CB-CZ2 4.28Å; R80-W91 PolarHBondContact O-NE1 2.88Å; V81-W91 HydrophobicContact CG2-CH2 4.26Å; V81-W91 HydrophobicContact CG2-CZ2 4.05Å; F84-W91 HydrophobicContact CD2-CD2 4.08Å; F84-W91 AromaticContact CD2-CE2 3.53Å; F84-W91 HydrophobicContact CD2-CG 4.43Å; F84-W91 HydrophobicContact CD2-CH2 4.41Å; F84-W91 AromaticContact CD2-CZ2 3.76Å; F84-W91 HydrophobicContact CD2-CZ2 3.76Å; F84-W91 AromaticContact CD2-NE1 3.54Å; F84-W91 AromaticContact CE2-CD2 3.49Å; F84-W91 HydrophobicContact CE2-CD2 3.49Å; F84-W91 VanDerWaalsContact CE2-CD2 3.49Å; F84-W91 AromaticContact CE2-CE2 3.43Å; F84-W91 VanDerWaalsContact CE2-CE2 3.43Å; F84-W91 AromaticContact CE2-CE3 3.81Å; F84-W91 HydrophobicContact CE2-CE3 3.81Å; F84-W91 AromaticContact CE2-CG 3.92Å; F84-W91 HydrophobicContact CE2-CG 3.92Å; F84-W91 HydrophobicContact CE2-CH2 4.07Å; F84-W91 AromaticContact CE2-CZ2 3.77Å; F84-W91 HydrophobicContact CE2-CZ2 3.77Å; F84-W91 HydrophobicContact CE2-CZ3 4.06Å; F84-W91 AromaticContact CE2-NE1 3.75Å; F84-W91 HydrophobicContact CZ-CD2 4.16Å; F84-W91 HydrophobicContact CZ-CE3 4.45Å; F84-W91 HydrophobicContact CZ-CG 4.22Å; F87-W91 PolarHBondContact O-N 3.28Å; F87-W91 VanDerWaalsContact O-N 3.11Å; Y88-W91 PolarHBondContact O-N 3.44Å; W91-V94 PolarHBondContact O-N 3.49Å; W91-T95 HydrophobicContact CE3-CG2 4.34Å; W91-T95 WeakPolarHBondContact O-CB 3.43Å; W91-T95 PolarHBondContact O-N 3.47Å; W91-T95 PolarHBondContact O-OG1 3.48Å; W91-F100 HydrophobicContact CB-CD2 3.52Å; W91-F100 HydrophobicContact CB-CE2 3.92Å; W91-F100 HydrophobicContact CB-CG 4.47Å; W91-F100 HydrophobicContact CG-CD2 4.36Å; W91-H145 AromaticContact CZ3-CE1 3.81Å; W91-H145 AromaticContact CZ3-ND1 3.32Å; W91-H145 VanDerWaalsContact CZ3-ND1 3.32Å; W91-H145 WeakPolarHBondContact CZ3-ND1 3.27Å
92I83.5Confident85.2Confident54 Ų5473.5 Ų73.528%0.27736%0.357SS..Hα-helixtrans-68.2-42.6175.9-68168.9000111.7Y88 W90 V94 K97 F100Y88-I92 HydrophobicContact CD2-CD1 4.12Å; Y88-I92 WeakPolarHBondContact O-CB 3.4Å; Y88-I92 VanDerWaalsContact O-CG1 3.25Å; Y88-I92 WeakPolarHBondContact O-CG1 3.36Å; Y88-I92 PolarHBondContact O-N 2.96Å; W90-I92 VanDerWaalsContact C-N 3.35Å; W90-I92 PolarHBondContact O-N 2.99Å; I92-V94 PolarHBondContact O-N 3.37Å; I92-K97 HydrophobicContact CG2-CG 3.87Å; I92-F100 HydrophobicContact CD1-CD1 3.73Å; I92-F100 HydrophobicContact CD1-CE1 3.99Å; I92-F100 HydrophobicContact CD1-CG 4.34Å; I92-F100 HydrophobicContact CG1-CB 3.84Å; I92-F100 HydrophobicContact CG1-CD1 3.46Å; I92-F100 VanDerWaalsContact CG1-CD1 3.46Å; I92-F100 HydrophobicContact CG1-CD2 4.33Å; I92-F100 HydrophobicContact CG1-CE1 4.12Å; I92-F100 HydrophobicContact CG1-CG 3.58Å
93Q81.7Confident85.3Confident161 Ų16172.5 Ų72.575%0.75235%0.35SS*.Hα-helixtrans-61.1-35.3176.7-177-178.219.800111.7R89 W90R89-Q93 WeakPolarHBondContact O-CB 3.43Å; R89-Q93 PolarHBondContact O-N 3.05Å; W90-Q93 PolarHBondContact O-N 3.01Å
94V76.7Confident85.6Confident14 Ų1469.2 Ų69.29%0.08534%0.337CS..Hα-helixtrans-84-52.7-176.2169.10000112.2Y19 W90 W91 I92 H145 V149Y19-V94 PolarHBondContact OH-O 2.93Å; W90-V94 HydrophobicContact CD2-CG2 4.1Å; W90-V94 HydrophobicContact CG-CG2 4.49Å; W90-V94 HydrophobicContact CH2-CG2 4.37Å; W90-V94 HydrophobicContact CZ2-CG2 3.83Å; W90-V94 WeakPolarHBondContact O-CB 3.43Å; W90-V94 VanDerWaalsContact O-CG2 3.25Å; W90-V94 WeakPolarHBondContact O-CG2 3.31Å; W90-V94 PolarHBondContact O-N 2.91Å; W91-V94 PolarHBondContact O-N 3.49Å; I92-V94 PolarHBondContact O-N 3.37Å; V94-H145 VanDerWaalsContact CG1-CE1 3.42Å; V94-H145 WeakPolarHBondContact CG1-CE1 3.36Å; V94-V149 HydrophobicContact CB-CG1 4.21Å; V94-V149 HydrophobicContact CG1-CB 4.02Å; V94-V149 HydrophobicContact CG1-CG1 3.47Å; V94-V149 VanDerWaalsContact CG1-CG1 3.47Å; V94-V149 HydrophobicContact CG1-CG2 3.4Å; V94-V149 HydrophobicContact CG2-CG1 3.6Å
95T77.7Confident85.9Confident14 Ų1471.6 Ų71.69%0.08636%0.358CS..SBendtrans-87-96-172.660.50000111.2K15 W91 I99 H145K15-T95 PolarHBondContact NZ-O 3.44Å; W91-T95 HydrophobicContact CE3-CG2 4.34Å; W91-T95 WeakPolarHBondContact O-CB 3.43Å; W91-T95 PolarHBondContact O-N 3.47Å; W91-T95 PolarHBondContact O-OG1 3.48Å; T95-I99 HydrophobicContact CG2-CG2 4.22Å; T95-H145 WeakPolarHBondContact CG2-CE1 3.37Å
96S83.1Confident86.1Confident44 Ų4470 Ų7031%0.30835%0.347SS..  trans-171.5164.5165.462.90000107G98 I99 F100S96-G98 VanDerWaalsContact C-N 3.3Å; S96-G98 PolarHBondContact O-N 3Å; S96-I99 PolarHBondContact O-N 3.03Å; S96-I99 WeakPolarHBondContact OG-CG1 3.34Å; S96-I99 PolarHBondContact OG-N 2.94Å; S96-F100 WeakPolarHBondContact O-CB 3.47Å; S96-F100 PolarHBondContact O-N 3.1Å
97K84.6Confident86.4Confident159 Ų15964.7 Ų64.769%0.69132%0.322SS*.Hα-helixtrans-52.7-47176.6-68.6-175.1177.7-176.10112.4I92 F100 L101I92-K97 HydrophobicContact CG2-CG 3.87Å; K97-F100 PolarHBondContact O-N 3.02Å; K97-L101 VanDerWaalsContact O-CG 3.32Å; K97-L101 WeakPolarHBondContact O-CG 3.44Å; K97-L101 PolarHBondContact O-N 2.76Å
98G86.8Confident86.8Confident50 Ų5065.8 Ų65.852%0.51533%0.331SS..Hα-helixtrans-67.3-40.6-179.700000114.5S96 L101 L102S96-G98 VanDerWaalsContact C-N 3.3Å; S96-G98 PolarHBondContact O-N 3Å; G98-L101 PolarHBondContact O-N 3.07Å; G98-L102 PolarHBondContact O-N 3.35Å
99I85.7Confident87.3Confident52 Ų5263.2 Ų63.227%0.26732%0.324SS..Hα-helixtrans-71.1-37177.5-66.9172.2000110.7W11 T95 S96 L102 L103W11-I99 HydrophobicContact CH2-CD1 3.72Å; W11-I99 HydrophobicContact CZ3-CD1 4.02Å; T95-I99 HydrophobicContact CG2-CG2 4.22Å; S96-I99 PolarHBondContact O-N 3.03Å; S96-I99 WeakPolarHBondContact OG-CG1 3.34Å; S96-I99 PolarHBondContact OG-N 2.94Å; I99-L102 PolarHBondContact O-N 3.14Å; I99-L103 HydrophobicContact CG2-CD1 3.96Å; I99-L103 HydrophobicContact CG2-CG 4.39Å; I99-L103 WeakPolarHBondContact O-CB 3.34Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 3.43Å
100F88.4Confident87.7Confident13 Ų1355 Ų556%0.05729%0.294CS..Hα-helixtrans-60.6-45.4172171.6-106.8000111.7F84 Y88 W91 I92 S96 K97 L102 L103 L104F84-F100 HydrophobicContact CD1-CE2 4.15Å; F84-F100 AromaticContact CE1-CD2 3.73Å; F84-F100 HydrophobicContact CE1-CD2 3.73Å; F84-F100 AromaticContact CE1-CE2 3.43Å; F84-F100 HydrophobicContact CE1-CE2 3.43Å; F84-F100 VanDerWaalsContact CE1-CE2 3.43Å; F84-F100 HydrophobicContact CE1-CZ 4.38Å; F84-F100 AromaticContact CZ-CD2 3.76Å; F84-F100 HydrophobicContact CZ-CD2 3.76Å; F84-F100 AromaticContact CZ-CE2 3.88Å; F84-F100 HydrophobicContact CZ-CE2 3.88Å; Y88-F100 VanDerWaalsContact CB-CZ 3.41Å; W91-F100 HydrophobicContact CB-CD2 3.52Å; W91-F100 HydrophobicContact CB-CE2 3.92Å; W91-F100 HydrophobicContact CB-CG 4.47Å; W91-F100 HydrophobicContact CG-CD2 4.36Å; I92-F100 HydrophobicContact CD1-CD1 3.73Å; I92-F100 HydrophobicContact CD1-CE1 3.99Å; I92-F100 HydrophobicContact CD1-CG 4.34Å; I92-F100 HydrophobicContact CG1-CB 3.84Å; I92-F100 HydrophobicContact CG1-CD1 3.46Å; I92-F100 VanDerWaalsContact CG1-CD1 3.46Å; I92-F100 HydrophobicContact CG1-CD2 4.33Å; I92-F100 HydrophobicContact CG1-CE1 4.12Å; I92-F100 HydrophobicContact CG1-CG 3.58Å; S96-F100 WeakPolarHBondContact O-CB 3.47Å; S96-F100 PolarHBondContact O-N 3.1Å; K97-F100 PolarHBondContact O-N 3.02Å; F100-L102 PolarHBondContact O-N 2.96Å; F100-L103 PolarHBondContact O-N 3.18Å; F100-L104 HydrophobicContact CE1-CD2 4.05Å; F100-L104 HydrophobicContact CZ-CB 4.47Å; F100-L104 HydrophobicContact CZ-CD2 4.07Å; F100-L104 VanDerWaalsContact O-CB 3.24Å; F100-L104 WeakPolarHBondContact O-CB 3.19Å; F100-L104 PolarHBondContact O-N 3.02Å
101L90.6Very high88Confident108 Ų10856 Ų5657%0.56531%0.306SS*.Hα-helixtrans-63.6-39.4177.1-72170.4000112.5K97 G98 L104 A105K97-L101 VanDerWaalsContact O-CG 3.32Å; K97-L101 WeakPolarHBondContact O-CG 3.44Å; K97-L101 PolarHBondContact O-N 2.76Å; G98-L101 PolarHBondContact O-N 3.07Å; L101-L104 PolarHBondContact O-N 3.49Å; L101-A105 WeakPolarHBondContact O-CB 3.3Å; L101-A105 PolarHBondContact O-N 3.27Å
102L91Very high88.5Confident96 Ų9657.8 Ų57.850%0.50332%0.321SS..Hα-helixtrans-61.3-48174-17676.1000111.8G98 I99 F100 A105 L106G98-L102 PolarHBondContact O-N 3.35Å; I99-L102 PolarHBondContact O-N 3.14Å; F100-L102 PolarHBondContact O-N 2.96Å; L102-A105 PolarHBondContact O-N 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.11Å; L102-L106 PolarHBondContact O-N 3.32Å
103L90.6Very high88.8Confident27 Ų2755.3 Ų55.314%0.14131%0.309CS..Hα-helixtrans-68.4-35179.1-69.3172.6000112F84 I99 F100 L106 Y107 L543F84-L103 HydrophobicContact CE1-CB 4.16Å; F84-L103 HydrophobicContact CE2-CB 4.25Å; F84-L103 HydrophobicContact CZ-CB 3.55Å; F84-L103 HydrophobicContact CZ-CD1 4.4Å; I99-L103 HydrophobicContact CG2-CD1 3.96Å; I99-L103 HydrophobicContact CG2-CG 4.39Å; I99-L103 WeakPolarHBondContact O-CB 3.34Å; I99-L103 WeakPolarHBondContact O-CG 3.46Å; I99-L103 PolarHBondContact O-N 3.43Å; F100-L103 PolarHBondContact O-N 3.18Å; L103-L106 PolarHBondContact O-N 2.73Å; L103-Y107 WeakPolarHBondContact O-CB 3.37Å; L103-Y107 PolarHBondContact O-N 3.28Å; L103-L543 HydrophobicContact CD2-CD1 4.32Å
104L92.5Very high89.2Confident34 Ų3448.6 Ų48.618%0.17828%0.281CS..Hα-helixtrans-64.9-43.4173.2-176.962.8000111F84 P85 F100 L101 Y107 L108F84-L104 HydrophobicContact CD1-CD1 4.04Å; F84-L104 HydrophobicContact CE1-CB 3.98Å; F84-L104 HydrophobicContact CE1-CD1 4.3Å; P85-L104 HydrophobicContact CB-CD1 4.11Å; F100-L104 HydrophobicContact CE1-CD2 4.05Å; F100-L104 HydrophobicContact CZ-CB 4.47Å; F100-L104 HydrophobicContact CZ-CD2 4.07Å; F100-L104 VanDerWaalsContact O-CB 3.24Å; F100-L104 WeakPolarHBondContact O-CB 3.19Å; F100-L104 PolarHBondContact O-N 3.02Å; L101-L104 PolarHBondContact O-N 3.49Å; L104-Y107 PolarHBondContact O-N 3.45Å; L104-L108 HydrophobicContact CD1-CD1 4.29Å; L104-L108 HydrophobicContact CD1-CG 4.3Å; L104-L108 HydrophobicContact CG-CD1 4.03Å; L104-L108 HydrophobicContact CG-CG 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.29Å; L104-L108 VanDerWaalsContact O-CG 3.29Å; L104-L108 WeakPolarHBondContact O-CG 3.5Å; L104-L108 PolarHBondContact O-N 3.39Å
105A93.4Very high89.9Confident56 Ų5650.3 Ų50.346%0.46330%0.296SS..Hα-helixtrans-60.9-47.3175.300000111.2L101 L102 Y107 L108 L109L101-A105 WeakPolarHBondContact O-CB 3.3Å; L101-A105 PolarHBondContact O-N 3.27Å; L102-A105 PolarHBondContact O-N 3.39Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 2.79Å; A105-L108 PolarHBondContact O-N 3.15Å; A105-L109 VanDerWaalsContact O-CB 3.26Å; A105-L109 WeakPolarHBondContact O-CB 3.13Å; A105-L109 PolarHBondContact O-N 3.29Å
106L93.2Very high90.4Very high12 Ų1251.2 Ų51.26%0.06330%0.301CS..Hα-helixtrans-61.3-39.6175.7-70.1171.3000112.7L102 L103 Q110 M138 C539 L543L102-L106 WeakPolarHBondContact O-CG 3.11Å; L102-L106 PolarHBondContact O-N 3.32Å; L103-L106 PolarHBondContact O-N 2.73Å; L106-Q110 WeakPolarHBondContact O-CB 3.35Å; L106-Q110 PolarHBondContact O-N 3.23Å; L106-M138 HydrophobicContact CB-CE 4.04Å; L106-C539 HydrophobicContact CD1-CB 4.04Å; L106-C539 HydrophobicContact CD2-CB 3.64Å; L106-L543 HydrophobicContact CD1-CD1 4.24Å
107Y93.3Very high90.6Very high43 Ų4352 Ų5217%0.16930%0.297CS..Hα-helixtrans-65.7-44.1175.3175.9-84.3000112.1V81 V82 F84 P85 L103 L104 A105 Q110 V111V81-Y107 WeakPolarHBondContact O-CE2 3.34Å; V82-Y107 PolarHBondContact O-OH 2.7Å; F84-Y107 HydrophobicContact CB-CD1 4.49Å; F84-Y107 HydrophobicContact CB-CD2 3.7Å; F84-Y107 HydrophobicContact CB-CE2 3.7Å; F84-Y107 HydrophobicContact CB-CG 4.11Å; F84-Y107 HydrophobicContact CD1-CG 4.47Å; F84-Y107 HydrophobicContact CG-CD2 4.36Å; P85-Y107 HydrophobicContact CG-CE1 4.14Å; L103-Y107 WeakPolarHBondContact O-CB 3.37Å; L103-Y107 PolarHBondContact O-N 3.28Å; L104-Y107 PolarHBondContact O-N 3.45Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 2.79Å; Y107-Q110 WeakPolarHBondContact O-CB 3.39Å; Y107-Q110 PolarHBondContact O-N 3.15Å; Y107-V111 HydrophobicContact CD1-CG2 4.29Å; Y107-V111 HydrophobicContact CE1-CG2 3.96Å; Y107-V111 WeakPolarHBondContact O-CG2 3.39Å; Y107-V111 PolarHBondContact O-N 2.91Å
108L93.9Very high90.7Very high98 Ų9849.8 Ų49.851%0.51330%0.297SS..Hα-helixtrans-67-39.9177.3-70.4172.2000111.7L104 A105 Q110 V111 A112L104-L108 HydrophobicContact CD1-CD1 4.29Å; L104-L108 HydrophobicContact CD1-CG 4.3Å; L104-L108 HydrophobicContact CG-CD1 4.03Å; L104-L108 HydrophobicContact CG-CG 4.44Å; L104-L108 WeakPolarHBondContact O-CB 3.29Å; L104-L108 VanDerWaalsContact O-CG 3.29Å; L104-L108 WeakPolarHBondContact O-CG 3.5Å; L104-L108 PolarHBondContact O-N 3.39Å; A105-L108 PolarHBondContact O-N 3.15Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.17Å; L108-V111 PolarHBondContact O-N 2.7Å; L108-A112 WeakPolarHBondContact O-CB 3.01Å; L108-A112 PolarHBondContact O-N 2.99Å
109L93.6Very high90.6Very high50 Ų5051.4 Ų51.426%0.26230%0.3SS..Hα-helixtrans-63.6-37.7175.7-154.771.3000111.5A105 A112 A113 L532 L535 V536A105-L109 VanDerWaalsContact O-CB 3.26Å; A105-L109 WeakPolarHBondContact O-CB 3.13Å; A105-L109 PolarHBondContact O-N 3.29Å; L109-A112 PolarHBondContact O-N 2.77Å; L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.12Å; L109-L532 HydrophobicContact CD1-CD1 4.39Å; L109-L532 HydrophobicContact CD1-CD2 3.69Å; L109-L532 HydrophobicContact CD1-CG 3.58Å; L109-L532 HydrophobicContact CD2-CG 4.44Å; L109-L532 HydrophobicContact CG-CB 4.25Å; L109-L532 HydrophobicContact CG-CD2 3.99Å; L109-L532 HydrophobicContact CG-CG 3.73Å; L109-L535 HydrophobicContact CD2-CB 4.32Å; L109-L535 HydrophobicContact CD2-CD2 3.87Å; L109-L535 HydrophobicContact CD2-CG 4.14Å; L109-V536 HydrophobicContact CB-CG2 3.88Å; L109-V536 HydrophobicContact CD2-CG2 3.82Å; L109-V536 HydrophobicContact CG-CG2 4.04Å
110Q92.9Very high90.4Very high14 Ų1449.9 Ų49.97%0.06529%0.293CS..Hα-helixtrans-67.6-43.1174.1173.2161.578.300112.8L106 Y107 L108 A112 A113 A114 A134 I135 V536L106-Q110 WeakPolarHBondContact O-CB 3.35Å; L106-Q110 PolarHBondContact O-N 3.23Å; Y107-Q110 WeakPolarHBondContact O-CB 3.39Å; Y107-Q110 PolarHBondContact O-N 3.15Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.17Å; Q110-A112 VanDerWaalsContact C-N 3.35Å; Q110-A113 PolarHBondContact O-N 3.42Å; Q110-A114 WeakPolarHBondContact O-CB 3.14Å; Q110-A114 PolarHBondContact O-N 3.47Å; Q110-A134 VanDerWaalsContact NE2-CB 3.29Å; Q110-A134 PolarHBondContact NE2-O 2.76Å; Q110-I135 HydrophobicContact CG-CG1 3.82Å; Q110-V536 HydrophobicContact CB-CG1 4.16Å; Q110-V536 HydrophobicContact CB-CG2 4.33Å
111V92.4Very high89.2Confident73 Ų7355.1 Ų55.144%0.44233%0.331SS..Hα-helixtrans-65.6-38.9174.1171.10000110.9Y107 L108 A114 A115Y107-V111 HydrophobicContact CD1-CG2 4.29Å; Y107-V111 HydrophobicContact CE1-CG2 3.96Å; Y107-V111 WeakPolarHBondContact O-CG2 3.39Å; Y107-V111 PolarHBondContact O-N 2.91Å; L108-V111 PolarHBondContact O-N 2.7Å; V111-A114 PolarHBondContact O-N 2.95Å; V111-A115 VanDerWaalsContact O-CB 3.3Å; V111-A115 WeakPolarHBondContact O-CB 3.44Å; V111-A115 PolarHBondContact O-N 3.11Å
112A92.4Very high88Confident41 Ų4155.4 Ų55.434%0.33933%0.329SS..Hα-helixtrans-63.9-44.4175.100000112.3L108 L109 Q110 A114 A115 L116 L532L108-A112 WeakPolarHBondContact O-CB 3.01Å; L108-A112 PolarHBondContact O-N 2.99Å; L109-A112 PolarHBondContact O-N 2.77Å; Q110-A112 VanDerWaalsContact C-N 3.35Å; A112-A114 PolarHBondContact O-N 3.2Å; A112-A115 PolarHBondContact O-N 2.93Å; A112-L116 WeakPolarHBondContact O-CG 3.47Å; A112-L116 PolarHBondContact O-N 3.02Å; A112-L532 HydrophobicContact CB-CD2 3.91Å
113A91Very high86.7Confident3 Ų357.2 Ų57.23%0.02535%0.347CS..Hα-helixtrans-61.6-42.717500000112.5L109 Q110 L116 Y117 V131 L532L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.12Å; Q110-A113 PolarHBondContact O-N 3.42Å; A113-L116 PolarHBondContact O-N 2.56Å; A113-Y117 PolarHBondContact O-N 3.4Å; A113-V131 HydrophobicContact CB-CG1 4.34Å; A113-L532 HydrophobicContact CB-CB 4.16Å
114A89.9Confident85.5Confident20 Ų2058.1 Ų58.117%0.16535%0.35CS..Hα-helixtrans-67.1-37.6175.800000112.6Q110 V111 A112 Y117 V118 V131Q110-A114 WeakPolarHBondContact O-CB 3.14Å; Q110-A114 PolarHBondContact O-N 3.47Å; V111-A114 PolarHBondContact O-N 2.95Å; A112-A114 PolarHBondContact O-N 3.2Å; A114-Y117 PolarHBondContact O-N 3.08Å; A114-V118 WeakPolarHBondContact O-CG2 3.29Å; A114-V118 PolarHBondContact O-N 2.79Å; A114-V131 HydrophobicContact CB-CG1 4.45Å
115A90.3Very high84.3Confident49 Ų4960.6 Ų60.641%0.40538%0.384SS..Hα-helixtrans-65.6-43174.800000111.7V111 A112 V118 S119V111-A115 VanDerWaalsContact O-CB 3.3Å; V111-A115 WeakPolarHBondContact O-CB 3.44Å; V111-A115 PolarHBondContact O-N 3.11Å; A112-A115 PolarHBondContact O-N 2.93Å; A115-V118 PolarHBondContact O-N 3.46Å; A115-S119 VanDerWaalsContact O-CB 3.28Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.13Å; A115-S119 PolarHBondContact O-OG 2.76Å
116L89Confident83.5Confident34 Ų3458.6 Ų58.618%0.17837%0.365CS..Hα-helixtrans-59-47.3173.1-72.9169.7000111.3A112 A113 V118 S119 I120 L525 T528 M529A112-L116 WeakPolarHBondContact O-CG 3.47Å; A112-L116 PolarHBondContact O-N 3.02Å; A113-L116 PolarHBondContact O-N 2.56Å; L116-V118 PolarHBondContact O-N 2.82Å; L116-V118 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-N 3.18Å; L116-I120 HydrophobicContact CB-CD1 4.49Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.35Å; L116-I120 VanDerWaalsContact O-N 3.07Å; L116-L525 HydrophobicContact CD2-CD2 4.17Å; L116-T528 HydrophobicContact CD1-CG2 3.93Å; L116-M529 HydrophobicContact CB-CB 3.99Å; L116-M529 HydrophobicContact CB-CG 4.04Å; L116-M529 HydrophobicContact CB-SD 4.41Å; L116-M529 HydrophobicContact CD1-CB 4.03Å
117Y87.1Confident82.9Confident59 Ų5960.2 Ų60.223%0.23138%0.376CS..Hα-helixtrans-56.2-33.6178.8-170.4-93000113.7A113 A114 V128 V131 F132 M529A113-Y117 PolarHBondContact O-N 3.4Å; A114-Y117 PolarHBondContact O-N 3.08Å; Y117-V128 WeakPolarHBondContact OH-CG2 3.41Å; Y117-V131 HydrophobicContact CD2-CG2 3.78Å; Y117-V131 HydrophobicContact CE2-CG2 4.44Å; Y117-V131 HydrophobicContact CG-CG2 4.31Å; Y117-F132 AromaticContact CD1-CE2 3.74Å; Y117-F132 HydrophobicContact CD1-CE2 3.74Å; Y117-F132 HydrophobicContact CD1-CZ 4.38Å; Y117-F132 HydrophobicContact CE1-CE2 4.06Å; Y117-F132 HydrophobicContact CG-CE2 4.31Å; Y117-M529 WeakPolarHBondContact CA-SD 3.44Å; Y117-M529 HydrophobicContact CD2-CE 4.03Å; Y117-M529 HydrophobicContact CD2-SD 3.7Å; Y117-M529 HydrophobicContact CG-SD 4.16Å
118V86.3Confident82.4Confident114 Ų11462 Ų6269%0.69139%0.392SS*.Hα-helixtrans-88.1-24.1177.6177.10000112.6A114 A115 L116A114-V118 WeakPolarHBondContact O-CG2 3.29Å; A114-V118 PolarHBondContact O-N 2.79Å; A115-V118 PolarHBondContact O-N 3.46Å; L116-V118 PolarHBondContact O-N 2.82Å; L116-V118 VanDerWaalsContact O-N 3.16Å
119S84.3Confident81.8Confident84 Ų8460.3 Ų60.359%0.58739%0.385SS*.Hα-helixtrans-85.7-30.4-175.3-58.10000113.7A115 L116 S121A115-S119 VanDerWaalsContact O-CB 3.28Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.13Å; A115-S119 PolarHBondContact O-OG 2.76Å; L116-S119 PolarHBondContact O-N 3.18Å; S119-S121 PolarHBondContact O-N 3.24Å
120I81.3Confident81.3Confident20 Ų2058 Ų5810%0.10337%0.373CS..  trans-81.5119.4179.4-44.3153.6000107.7L116 H124 L525 V526L116-I120 HydrophobicContact CB-CD1 4.49Å; L116-I120 VanDerWaalsContact O-CG1 3.31Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.35Å; L116-I120 VanDerWaalsContact O-N 3.07Å; I120-H124 WeakPolarHBondContact CG2-NE2 3.21Å; I120-H124 PolarHBondContact O-CE1 2.83Å; I120-L525 HydrophobicContact CD1-CB 3.81Å; I120-L525 HydrophobicContact CG1-CB 4Å; I120-L525 HydrophobicContact CG1-CD1 4.25Å; I120-V526 HydrophobicContact CD1-CG2 4.19Å
121S63.8Low81Confident122 Ų12257.6 Ų57.685%0.85337%0.372SS*.  trans-92.79.6-169.2-50.80000115.3S119S119-S121 PolarHBondContact O-N 3.24Å
122Q66Low80.7Confident114 Ų11457.4 Ų57.453%0.53337%0.365SS..SBendtrans-94.6160.8-179.9-73.7-177.3-14.800111.6H124 S522Q122-H124 PolarHBondContact O-CE1 2.69Å; Q122-H124 PolarHBondContact O-N 2.88Å; Q122-H124 VanDerWaalsContact O-N 3.1Å; Q122-H124 PolarHBondContact O-ND1 2.81Å; Q122-H124 PolarHBondContact O-NE2 3.3Å; Q122-S522 PolarHBondContact OE1-OG 2.91Å
123P63.1Low80.4Confident134 Ų13456.8 Ų56.887%0.8736%0.363SS*.  trans-79.787176.631.3-34.4000111.7
124H66.4Low80.3Confident47 Ų4756.9 Ų56.922%0.21836%0.363CS..  trans-77.2136.6173.5-3097000111.3I120 Q122 I126I120-H124 WeakPolarHBondContact CG2-NE2 3.21Å; I120-H124 PolarHBondContact O-CE1 2.83Å; Q122-H124 PolarHBondContact O-CE1 2.69Å; Q122-H124 PolarHBondContact O-N 2.88Å; Q122-H124 VanDerWaalsContact O-N 3.1Å; Q122-H124 PolarHBondContact O-ND1 2.81Å; Q122-H124 PolarHBondContact O-NE2 3.3Å; H124-I126 HydrophobicContact CB-CB 4.48Å; H124-I126 HydrophobicContact CB-CD1 4.38Å; H124-I126 HydrophobicContact CB-CG1 4.42Å; H124-I126 PolarHBondContact O-N 3.25Å
125G67.3Low80.3Confident86 Ų8658.8 Ų58.889%0.88737%0.37SS*.  trans-71.224.217300000115.4
126I76.3Confident80.3Confident13 Ų1362.1 Ų62.17%0.06737%0.373CS..  trans-96.8120.7-173.7-66.7168.2000109.9H124 E130 V526 M529 V530H124-I126 HydrophobicContact CB-CB 4.48Å; H124-I126 HydrophobicContact CB-CD1 4.38Å; H124-I126 HydrophobicContact CB-CG1 4.42Å; H124-I126 PolarHBondContact O-N 3.25Å; I126-E130 HydrophobicContact CG2-CB 4.33Å; I126-V526 HydrophobicContact CD1-CG1 3.49Å; I126-V526 VanDerWaalsContact CD1-CG1 3.49Å; I126-M529 HydrophobicContact CB-CE 4.37Å; I126-M529 HydrophobicContact CD1-CE 3.48Å; I126-M529 VanDerWaalsContact CD1-CE 3.48Å; I126-M529 HydrophobicContact CG2-CE 4.01Å; I126-V530 HydrophobicContact CD1-CG2 3.48Å; I126-V530 VanDerWaalsContact CD1-CG2 3.48Å; I126-V530 HydrophobicContact CG1-CG2 4.41Å
127P80Confident80.3Confident46 Ų4661.3 Ų61.330%0.29937%0.368SS..  trans-71.3140-175.228.7-33.7000111.6T129 E130P127-T129 PolarHBondContact O-N 3.22Å; P127-E130 HydrophobicContact CG-CB 4.26Å; P127-E130 WeakPolarHBondContact O-CB 3.32Å; P127-E130 PolarHBondContact O-N 2.92Å
128V82.4Confident80.5Confident81 Ų8159 Ų5949%0.49136%0.36SS..Hα-helixtrans-51-33.5177.6-175.60000112Y117 E130 V131 F132Y117-V128 WeakPolarHBondContact OH-CG2 3.41Å; V128-E130 VanDerWaalsContact C-N 3.25Å; V128-E130 PolarHBondContact O-N 3.46Å; V128-V131 PolarHBondContact O-N 2.88Å; V128-F132 HydrophobicContact CG1-CB 4.32Å; V128-F132 HydrophobicContact CG1-CD2 3.54Å; V128-F132 HydrophobicContact CG1-CE2 4.11Å; V128-F132 HydrophobicContact CG1-CG 4.09Å; V128-F132 WeakPolarHBondContact O-CB 3.31Å; V128-F132 WeakPolarHBondContact O-CD2 3.34Å; V128-F132 PolarHBondContact O-N 2.9Å
129T81.9Confident80.8Confident62 Ų6255.2 Ų55.238%0.3834%0.336SS..Hα-helixtrans-64-23.9177.951.70000114.1P127 G133 R537P127-T129 PolarHBondContact O-N 3.22Å; T129-G133 WeakPolarHBondContact O-CA 3.38Å; T129-G133 PolarHBondContact O-N 3.34Å; T129-G133 VanDerWaalsContact O-N 3.12Å; T129-R537 PolarHBondContact O-NH1 3.45Å
130E83.6Confident81.1Confident1 Ų153.1 Ų53.11%0.00532%0.318CS..Hα-helixtrans-68.9-49.4178.3-168.2165.5177.700110.8I126 P127 V128 R493 R537I126-E130 HydrophobicContact CG2-CB 4.33Å; P127-E130 HydrophobicContact CG-CB 4.26Å; P127-E130 WeakPolarHBondContact O-CB 3.32Å; P127-E130 PolarHBondContact O-N 2.92Å; V128-E130 VanDerWaalsContact C-N 3.25Å; V128-E130 PolarHBondContact O-N 3.46Å; E130-R493 IonicContact OE1-CZ 3.69Å; E130-R493 IonicContact OE1-NH1 3.7Å; E130-R493 PolarHBondContact OE1-NH1 2.91Å; E130-R493 IonicContact OE1-NH2 3.52Å; E130-R493 PolarHBondContact OE1-NH2 2.86Å; E130-R493 IonicContact OE2-CZ 3.6Å; E130-R493 IonicContact OE2-NH1 3.78Å; E130-R493 PolarHBondContact OE2-NH1 3.4Å; E130-R493 IonicContact OE2-NH2 2.78Å; E130-R537 VanDerWaalsContact CA-NH1 3.35Å; E130-R537 WeakPolarHBondContact O-CD 3.29Å; E130-R537 PolarHBondContact O-NH1 3.28Å
131V85.6Confident81.5Confident7 Ų753.1 Ų53.14%0.04232%0.317CS..Hα-helixtrans-78.9-52.7179.8-175.20000111.5A113 A114 Y117 V128 M529A113-V131 HydrophobicContact CB-CG1 4.34Å; A114-V131 HydrophobicContact CB-CG1 4.45Å; Y117-V131 HydrophobicContact CD2-CG2 3.78Å; Y117-V131 HydrophobicContact CE2-CG2 4.44Å; Y117-V131 HydrophobicContact CG-CG2 4.31Å; V128-V131 PolarHBondContact O-N 2.88Å; V131-M529 HydrophobicContact CG2-CE 4.4Å; V131-M529 HydrophobicContact CG2-CG 4.45Å; V131-M529 HydrophobicContact CG2-SD 4.25Å
132F87.3Confident82.7Confident68 Ų6847.8 Ų47.830%0.29828%0.282SS..Hα-helixtrans-81.8-20.6-170.8-68.7-98.9000113.8Y117 V128 A134 I135Y117-F132 AromaticContact CD1-CE2 3.74Å; Y117-F132 HydrophobicContact CD1-CE2 3.74Å; Y117-F132 HydrophobicContact CD1-CZ 4.38Å; Y117-F132 HydrophobicContact CE1-CE2 4.06Å; Y117-F132 HydrophobicContact CG-CE2 4.31Å; V128-F132 HydrophobicContact CG1-CB 4.32Å; V128-F132 HydrophobicContact CG1-CD2 3.54Å; V128-F132 HydrophobicContact CG1-CE2 4.11Å; V128-F132 HydrophobicContact CG1-CG 4.09Å; V128-F132 WeakPolarHBondContact O-CB 3.31Å; V128-F132 WeakPolarHBondContact O-CD2 3.34Å; V128-F132 PolarHBondContact O-N 2.9Å; F132-A134 PolarHBondContact O-N 3.09Å; F132-I135 HydrophobicContact CD1-CD1 3.76Å; F132-I135 HydrophobicContact CE1-CD1 4.32Å; F132-I135 HydrophobicContact CG-CD1 4.38Å; F132-I135 WeakPolarHBondContact O-CB 3.3Å; F132-I135 PolarHBondContact O-N 2.92Å
133G85.5Confident83.7Confident28 Ų2843.1 Ų43.129%0.28926%0.261SS..Hα-helixtrans-58.6-33.1177.100000113.2T129 I135 L137T129-G133 WeakPolarHBondContact O-CA 3.38Å; T129-G133 PolarHBondContact O-N 3.34Å; T129-G133 VanDerWaalsContact O-N 3.12Å; G133-I135 VanDerWaalsContact C-N 3.29Å; G133-I135 PolarHBondContact O-N 3.44Å; G133-L137 PolarHBondContact O-N 3Å
134A89.3Confident84.9Confident5 Ų537 Ų374%0.04122%0.221CC..Hα-helixtrans-66.4-27.7175.100000113.3Q110 F132 L137 M138 V536 R537 L540Q110-A134 VanDerWaalsContact NE2-CB 3.29Å; Q110-A134 PolarHBondContact NE2-O 2.76Å; F132-A134 PolarHBondContact O-N 3.09Å; A134-L137 PolarHBondContact O-N 3.24Å; A134-M138 WeakPolarHBondContact O-CB 3.37Å; A134-M138 PolarHBondContact O-N 3.37Å; A134-V536 HydrophobicContact CB-CG1 3.9Å; A134-R537 HydrophobicContact CB-CG 4.24Å; A134-L540 HydrophobicContact CB-CD1 4.19Å; A134-L540 VanDerWaalsContact O-CD1 3.26Å; A134-L540 WeakPolarHBondContact O-CD1 3.44Å
135I89.9Confident85.9Confident60 Ų6036 Ų3631%0.30822%0.216SC..Hα-helixtrans-71.8-42.8-177.9-60.2173.6000109.8Q110 F132 G133 L137 M138 L139Q110-I135 HydrophobicContact CG-CG1 3.82Å; F132-I135 HydrophobicContact CD1-CD1 3.76Å; F132-I135 HydrophobicContact CE1-CD1 4.32Å; F132-I135 HydrophobicContact CG-CD1 4.38Å; F132-I135 WeakPolarHBondContact O-CB 3.3Å; F132-I135 PolarHBondContact O-N 2.92Å; G133-I135 VanDerWaalsContact C-N 3.29Å; G133-I135 PolarHBondContact O-N 3.44Å; I135-L137 VanDerWaalsContact C-N 3.32Å; I135-L137 PolarHBondContact O-N 3.11Å; I135-M138 PolarHBondContact O-N 3.49Å; I135-L139 WeakPolarHBondContact O-CB 3.29Å; I135-L139 PolarHBondContact O-N 3.2Å
136W89.3Confident86.7Confident120 Ų12031.9 Ų31.946%0.45517%0.174SC..Hα-helixtrans-59-42172.6-69.6112.7000112.3L139 L140 L205 F209W136-L139 HydrophobicContact CE3-CD2 4.39Å; W136-L139 HydrophobicContact CZ3-CD2 4.49Å; W136-L139 PolarHBondContact O-N 3.42Å; W136-L140 WeakPolarHBondContact O-CB 3.39Å; W136-L140 PolarHBondContact O-N 2.94Å; W136-L205 HydrophobicContact CZ2-CD2 4.2Å; W136-F209 AromaticContact CE2-CE2 3.84Å; W136-F209 HydrophobicContact CH2-CD2 4.33Å; W136-F209 AromaticContact CH2-CE1 3.94Å; W136-F209 HydrophobicContact CH2-CE1 3.94Å; W136-F209 AromaticContact CH2-CE2 3.63Å; W136-F209 HydrophobicContact CH2-CE2 3.63Å; W136-F209 AromaticContact CH2-CZ 3.39Å; W136-F209 HydrophobicContact CH2-CZ 3.39Å; W136-F209 AromaticContact CZ2-CD2 3.95Å; W136-F209 HydrophobicContact CZ2-CD2 3.95Å; W136-F209 HydrophobicContact CZ2-CE1 4.34Å; W136-F209 AromaticContact CZ2-CE2 3.17Å; W136-F209 HydrophobicContact CZ2-CE2 3.17Å; W136-F209 AromaticContact CZ2-CZ 3.41Å; W136-F209 HydrophobicContact CZ2-CZ 3.41Å; W136-F209 VanDerWaalsContact CZ2-CZ 3.41Å; W136-F209 HydrophobicContact CZ3-CZ 4.02Å
137L90.7Very high87Confident17 Ų1733.2 Ų33.29%0.08918%0.18CC..Hα-helixtrans-69.8-38178.4-171.858000112.5G133 A134 I135 L139 L140 L141 L540 I541 F544 W650G133-L137 PolarHBondContact O-N 3Å; A134-L137 PolarHBondContact O-N 3.24Å; I135-L137 VanDerWaalsContact C-N 3.32Å; I135-L137 PolarHBondContact O-N 3.11Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L140 HydrophobicContact CD1-CD2 4.17Å; L137-L140 PolarHBondContact O-N 3.43Å; L137-L141 VanDerWaalsContact O-CB 3.26Å; L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L540 HydrophobicContact CD2-CB 3.77Å; L137-L540 HydrophobicContact CG-CB 4.11Å; L137-I541 HydrophobicContact CD2-CB 4.31Å; L137-I541 HydrophobicContact CD2-CG1 3.5Å; L137-I541 VanDerWaalsContact CD2-CG1 3.5Å; L137-F544 HydrophobicContact CD1-CB 4.21Å; L137-F544 HydrophobicContact CD1-CD2 4.24Å; L137-F544 HydrophobicContact CD1-CG 4.25Å; L137-W650 HydrophobicContact CD1-CH2 4.43Å; L137-W650 HydrophobicContact CD2-CH2 4.27Å; L137-W650 HydrophobicContact CD2-CZ2 4.34Å
138M91.2Very high87.2Confident11 Ų1131.1 Ų31.15%0.05417%0.166CC..Hα-helixtrans-60.3-43.9171.1-175.672.286.200111.1V81 L106 A134 I135 L141 G142 L540V81-M138 HydrophobicContact CG1-CG 4.12Å; L106-M138 HydrophobicContact CB-CE 4.04Å; A134-M138 WeakPolarHBondContact O-CB 3.37Å; A134-M138 PolarHBondContact O-N 3.37Å; I135-M138 PolarHBondContact O-N 3.49Å; M138-L141 PolarHBondContact O-N 3.38Å; M138-G142 PolarHBondContact O-N 3.04Å; M138-L540 HydrophobicContact CB-CD1 3.98Å; M138-L540 HydrophobicContact CE-CD1 4.19Å; M138-L540 HydrophobicContact CE-CD2 3.87Å; M138-L540 HydrophobicContact SD-CD2 3.81Å
139L90.8Very high86.9Confident34 Ų3428 Ų2818%0.17815%0.148CC..Hα-helixtrans-63.6-45.2177.9-169.767.1000112.1I78 V81 V82 I135 W136 L137 T143I78-L139 HydrophobicContact CB-CD1 4.35Å; I78-L139 HydrophobicContact CG1-CD1 4.17Å; I78-L139 HydrophobicContact CG2-CD1 4.23Å; V81-L139 HydrophobicContact CB-CD1 4.2Å; V81-L139 HydrophobicContact CG1-CD1 4.27Å; V82-L139 HydrophobicContact CG2-CD1 4.36Å; I135-L139 WeakPolarHBondContact O-CB 3.29Å; I135-L139 PolarHBondContact O-N 3.2Å; W136-L139 HydrophobicContact CE3-CD2 4.39Å; W136-L139 HydrophobicContact CZ3-CD2 4.49Å; W136-L139 PolarHBondContact O-N 3.42Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L139-T143 HydrophobicContact CD1-CG2 4.47Å; L139-T143 WeakPolarHBondContact O-CB 3.4Å; L139-T143 VanDerWaalsContact O-CG2 3.26Å; L139-T143 WeakPolarHBondContact O-CG2 3.35Å; L139-T143 PolarHBondContact O-N 3.29Å; L139-T143 PolarHBondContact O-OG1 3.4Å
140L90.9Very high86.2Confident40 Ų4027.5 Ų27.521%0.20915%0.147CC..Hα-helixtrans-59-53.8174.2-174.679.8000110.9W136 L137 G142 T143 V144 F544 L619W136-L140 WeakPolarHBondContact O-CB 3.39Å; W136-L140 PolarHBondContact O-N 2.94Å; L137-L140 HydrophobicContact CD1-CD2 4.17Å; L137-L140 PolarHBondContact O-N 3.43Å; L140-G142 PolarHBondContact O-N 3.45Å; L140-T143 PolarHBondContact O-N 2.97Å; L140-T143 PolarHBondContact O-OG1 3.5Å; L140-V144 WeakPolarHBondContact O-CB 3.24Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.48Å; L140-V144 PolarHBondContact O-N 2.88Å; L140-F544 HydrophobicContact CD2-CD2 4.14Å; L140-F544 HydrophobicContact CD2-CE2 3.84Å; L140-L619 HydrophobicContact CD2-CD1 4.3Å; L140-L619 HydrophobicContact CD2-CD2 3.9Å; L140-L619 HydrophobicContact CD2-CG 4.47Å
141L90.8Very high84.9Confident19 Ų1928.1 Ų28.110%0.09915%0.151CC..Hα-helixtrans-62.3-43.1-176.3-167.673.8000111.7L137 M138 H145 L540 L543 F544 L547L137-L141 VanDerWaalsContact O-CB 3.26Å; L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 PolarHBondContact O-N 2.89Å; M138-L141 PolarHBondContact O-N 3.38Å; L141-H145 WeakPolarHBondContact O-CB 3.47Å; L141-H145 PolarHBondContact O-N 3.31Å; L141-L540 HydrophobicContact CD2-CD2 4.22Å; L141-L543 HydrophobicContact CD2-CB 3.78Å; L141-L543 HydrophobicContact CD2-CD1 4.06Å; L141-F544 HydrophobicContact CD1-CB 4.49Å; L141-L547 HydrophobicContact CD1-CD1 3.49Å; L141-L547 VanDerWaalsContact CD1-CD1 3.49Å; L141-L547 HydrophobicContact CD1-CG 4.14Å
142G88.4Confident83Confident10 Ų1035.7 Ų35.710%0.10318%0.178CC..Hα-helixtrans-71.5-36.1179.500000113.9M138 L140 C146M138-G142 PolarHBondContact O-N 3.04Å; L140-G142 PolarHBondContact O-N 3.45Å; G142-C146 PolarHBondContact O-N 2.91Å; G142-C146 PolarHBondContact O-SG 2.97Å
143T87.6Confident80.5Confident16 Ų1638.2 Ų38.210%0.09820%0.199CC..Hα-helixtrans-70.1-42.5173.951.60000111.8I78 L139 L140 H145 C146 Q147I78-T143 HydrophobicContact CG1-CG2 3.8Å; L139-T143 HydrophobicContact CD1-CG2 4.47Å; L139-T143 WeakPolarHBondContact O-CB 3.4Å; L139-T143 VanDerWaalsContact O-CG2 3.26Å; L139-T143 WeakPolarHBondContact O-CG2 3.35Å; L139-T143 PolarHBondContact O-N 3.29Å; L139-T143 PolarHBondContact O-OG1 3.4Å; L140-T143 PolarHBondContact O-N 2.97Å; L140-T143 PolarHBondContact O-OG1 3.5Å; T143-H145 VanDerWaalsContact C-N 3.35Å; T143-H145 PolarHBondContact O-N 3.5Å; T143-C146 WeakPolarHBondContact O-CB 3.49Å; T143-C146 PolarHBondContact O-N 2.87Å; T143-Q147 WeakPolarHBondContact O-CG 3.43Å; T143-Q147 PolarHBondContact O-N 3.06Å
144V88.2Confident78.1Confident5 Ų542.2 Ų42.23%0.0322%0.221CC..Hα-helixtrans-55.2-48.9170.8164.30000111L140 C146 Q147 I148 L547 V611 I612 S615L140-V144 WeakPolarHBondContact O-CB 3.24Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.48Å; L140-V144 PolarHBondContact O-N 2.88Å; V144-C146 PolarHBondContact O-N 3.26Å; V144-Q147 PolarHBondContact O-N 3.43Å; V144-Q147 VanDerWaalsContact O-N 3.15Å; V144-I148 HydrophobicContact CG1-CD1 3.87Å; V144-I148 WeakPolarHBondContact O-CG1 3.39Å; V144-I148 PolarHBondContact O-N 3.48Å; V144-L547 HydrophobicContact CG1-CD1 4.14Å; V144-V611 HydrophobicContact CG1-CG1 4.24Å; V144-I612 HydrophobicContact CG1-CG1 4.19Å; V144-S615 VanDerWaalsContact CG2-OG 3.29Å; V144-S615 WeakPolarHBondContact CG2-OG 3.2Å
145H86.5Confident75.2Confident26 Ų2651.3 Ų51.312%0.1226%0.259CS..Hα-helixtrans-61.3-41.9176.7-179.9-95.3000112.5W91 V94 T95 L141 T143 Q147 I148 V149W91-H145 AromaticContact CZ3-CE1 3.81Å; W91-H145 AromaticContact CZ3-ND1 3.32Å; W91-H145 VanDerWaalsContact CZ3-ND1 3.32Å; W91-H145 WeakPolarHBondContact CZ3-ND1 3.27Å; V94-H145 VanDerWaalsContact CG1-CE1 3.42Å; V94-H145 WeakPolarHBondContact CG1-CE1 3.36Å; T95-H145 WeakPolarHBondContact CG2-CE1 3.37Å; L141-H145 WeakPolarHBondContact O-CB 3.47Å; L141-H145 PolarHBondContact O-N 3.31Å; T143-H145 VanDerWaalsContact C-N 3.35Å; T143-H145 PolarHBondContact O-N 3.5Å; H145-Q147 VanDerWaalsContact C-N 3.32Å; H145-Q147 PolarHBondContact O-N 3.27Å; H145-I148 PolarHBondContact O-N 3.24Å; H145-V149 WeakPolarHBondContact O-CB 3.42Å; H145-V149 VanDerWaalsContact O-CG2 3.22Å; H145-V149 WeakPolarHBondContact O-CG2 3.14Å; H145-V149 PolarHBondContact O-N 2.93Å; H145-V149 VanDerWaalsContact O-N 3.08Å
146C84.9Confident72.2Confident1 Ų154 Ų541%0.00728%0.281CS..Hα-helixtrans-61.3-37.4173.4-70.50000113W90 G142 T143 V144 S150W90-C146 HydrophobicContact CH2-CB 4.36Å; W90-C146 VanDerWaalsContact CH2-SG 3.57Å; G142-C146 PolarHBondContact O-N 2.91Å; G142-C146 PolarHBondContact O-SG 2.97Å; T143-C146 WeakPolarHBondContact O-CB 3.49Å; T143-C146 PolarHBondContact O-N 2.87Å; V144-C146 PolarHBondContact O-N 3.26Å; C146-S150 WeakPolarHBondContact O-CB 3.35Å; C146-S150 PolarHBondContact O-N 3.33Å; C146-S150 VanDerWaalsContact O-N 3.1Å
147Q83.3Confident69.3Low41 Ų4155 Ų5519%0.19230%0.3CS..Hα-helixtrans-70-40177.6-73.6179.810.500112.9L73 T74 T143 V144 H145 V149 V611L73-Q147 HydrophobicContact CD2-CB 4.38Å; L73-Q147 HydrophobicContact CD2-CG 4.09Å; L73-Q147 HydrophobicContact CG-CG 4.04Å; T74-Q147 PolarHBondContact OG1-NE2 3.26Å; T143-Q147 WeakPolarHBondContact O-CG 3.43Å; T143-Q147 PolarHBondContact O-N 3.06Å; V144-Q147 PolarHBondContact O-N 3.43Å; V144-Q147 VanDerWaalsContact O-N 3.15Å; H145-Q147 VanDerWaalsContact C-N 3.32Å; H145-Q147 PolarHBondContact O-N 3.27Å; Q147-V149 VanDerWaalsContact C-N 3.31Å; Q147-V611 HydrophobicContact CB-CG1 3.83Å; Q147-V611 HydrophobicContact CB-CG2 4.36Å
148I82.6Confident66.3Low1 Ų159.6 Ų59.61%0.00533%0.334CS..Hα-helixtrans-58.9-43.7173.3-70.8166000110.8I16 Y19 V144 H145 T151 V611 I612I16-I148 HydrophobicContact CD1-CD1 4.41Å; Y19-I148 HydrophobicContact CD2-CG2 4.29Å; V144-I148 HydrophobicContact CG1-CD1 3.87Å; V144-I148 WeakPolarHBondContact O-CG1 3.39Å; V144-I148 PolarHBondContact O-N 3.48Å; H145-I148 PolarHBondContact O-N 3.24Å; I148-T151 PolarHBondContact O-OG1 3.13Å; I148-V611 HydrophobicContact CG1-CB 4.43Å; I148-V611 HydrophobicContact CG1-CG1 3.98Å; I148-I612 HydrophobicContact CD1-CD1 4.04Å; I148-I612 HydrophobicContact CD1-CG1 3.9Å
149V77.8Confident63.4Low16 Ų1664.5 Ų64.510%0.09737%0.369CS..Hα-helixtrans-81.9-23-171.81670000113.4W90 V94 H145 Q147 T151W90-V149 HydrophobicContact CH2-CG1 4.33Å; W90-V149 HydrophobicContact CZ2-CG1 3.78Å; V94-V149 HydrophobicContact CB-CG1 4.21Å; V94-V149 HydrophobicContact CG1-CB 4.02Å; V94-V149 HydrophobicContact CG1-CG1 3.47Å; V94-V149 VanDerWaalsContact CG1-CG1 3.47Å; V94-V149 HydrophobicContact CG1-CG2 3.4Å; V94-V149 HydrophobicContact CG2-CG1 3.6Å; H145-V149 WeakPolarHBondContact O-CB 3.42Å; H145-V149 VanDerWaalsContact O-CG2 3.22Å; H145-V149 WeakPolarHBondContact O-CG2 3.14Å; H145-V149 PolarHBondContact O-N 2.93Å; H145-V149 VanDerWaalsContact O-N 3.08Å; Q147-V149 VanDerWaalsContact C-N 3.31Å; V149-T151 PolarHBondContact O-N 3.25Å
150S66Low60.7Low52 Ų5269.4 Ų69.436%0.36441%0.406SS..  trans-77.933.1178.8-166.40000113.6L73 C146 R607L73-S150 VanDerWaalsContact CD1-CB 3.42Å; C146-S150 WeakPolarHBondContact O-CB 3.35Å; C146-S150 PolarHBondContact O-N 3.33Å; C146-S150 VanDerWaalsContact O-N 3.1Å; S150-R607 PolarHBondContact O-NH2 3.38Å
151T56.1Low57.9Low14 Ų1471.1 Ų71.19%0.08643%0.433CS..SBendtrans-87.8123.3162.940.90000108.8Y19 I148 V149 T153 R607Y19-T151 VanDerWaalsContact O-CB 3.31Å; Y19-T151 WeakPolarHBondContact O-CB 3.25Å; Y19-T151 PolarHBondContact O-OG1 2.89Å; I148-T151 PolarHBondContact O-OG1 3.13Å; V149-T151 PolarHBondContact O-N 3.25Å; T151-T153 PolarHBondContact O-N 3.28Å; T151-R607 VanDerWaalsContact CG2-CZ 3.41Å
152R46.3Very low55Low165 Ų16573.8 Ų73.862%0.62347%0.466SS*.  trans-1494.3178.7-76.6-176.8165.1178.2-3.6115.3E67E67-R152 HydrophobicContact CG-CG 4.46Å; E67-R152 IonicContact OE1-CZ 3.97Å; E67-R152 IonicContact OE1-NE 3.05Å; E67-R152 PolarHBondContact OE1-NE 2.67Å; E67-R152 IonicContact OE1-NH2 3.47Å; E67-R152 PolarHBondContact OE1-NH2 2.89Å
153T35.1Very low52.7Low121 Ų12184 Ų8474%0.74251%0.507SS*.PPolyproline II helixtrans-63.1129.615345.60000106.9T151 K155T151-T153 PolarHBondContact O-N 3.28Å; T153-K155 PolarHBondContact O-N 3Å
154P34.1Very low50.1Low113 Ų11395 Ų9573%0.73455%0.547SS*.PPolyproline II helixtrans-61.4126.5171.726.2-32000107.4
155K28.3Very low47.4Very low195 Ų195105.3 Ų105.385%0.84859%0.585SS**PPolyproline II helixtrans-52.6129.2166-88.6-176.9174.3177.50107T153 T157T153-K155 PolarHBondContact O-N 3Å; K155-T157 PolarHBondContact O-N 2.77Å
156P28.5Very low44.9Very low118 Ų118115.9 Ų115.977%0.76662%0.624SS**PPolyproline II helixtrans-56.6132.9167.326-32.8000107.2S158P156-S158 PolarHBondContact O-N 3.45Å
157T27.5Very low42.3Very low140 Ų140124.9 Ų124.986%0.85966%0.663SS**  trans-63.7101.917545.60000107.8K155 S159K155-T157 PolarHBondContact O-N 2.77Å; T157-S159 PolarHBondContact O-N 3Å
158S27.7Very low39.7Very low114 Ų114130.4 Ų130.480%0.79769%0.693SS**PPolyproline II helixtrans-53.5124.9173.550.20000108.7P156P156-S158 PolarHBondContact O-N 3.45Å
159S29.4Very low37.3Very low114 Ų114142 Ų14280%0.79774%0.737SS**PPolyproline II helixtrans-55.4149.1179.936.10000111.5T157 G161T157-S159 PolarHBondContact O-N 3Å; S159-G161 PolarHBondContact O-N 3.08Å
160S35Very low34.9Very low136 Ų136150.4 Ų150.495%0.95177%0.772SS**SBendtrans-59.2128179.9-174.50000111.3
161G32.1Very low33Very low76 Ų76152.5 Ų152.578%0.78479%0.793SS**  trans164.697.5175.200000113.4S159S159-G161 PolarHBondContact O-N 3.08Å
162G29.8Very low31.5Very low75 Ų75156.6 Ų156.677%0.77382%0.822SS**  trans150.881.5170.500000116.1R164G162-R164 PolarHBondContact O-N 3.31Å
163K39.1Very low30.5Very low224 Ų224158 Ų15897%0.97484%0.836SS**  trans-70.190.3167.2-71179.2178.9175.20110.2
164R33.9Very low30.1Very low247 Ų247161.2 Ų161.293%0.93284%0.844SS**  trans-101.995.8173.2-137173.4-170-174.21.8112.9G162 R166G162-R164 PolarHBondContact O-N 3.31Å; R164-R166 PolarHBondContact O-N 3.33Å
165R32.2Very low29.8Very low223 Ų223164.1 Ų164.184%0.84285%0.848SS**  trans-43.2110.1176.5-170.6179.9-168.6174.43.5113K167R165-K167 PolarHBondContact O-N 2.92Å
166R33.3Very low29.8Very low248 Ų248161.7 Ų161.794%0.93685%0.849SS**  trans-63.3127.1164.8-78.4-179.8171.9166.1-3.9108.8R164R164-R166 PolarHBondContact O-N 3.33Å
167K30.5Very low29.7Very low189 Ų189163.4 Ų163.482%0.82285%0.847SS**  trans-102.7109.3158.9-89.3-169173.5-176.20108R165R165-K167 PolarHBondContact O-N 2.92Å
168L28.5Very low29.7Very low157 Ų157166.7 Ų166.782%0.82284%0.843SS**  trans-68.8137.8163-173.971.6000108.1
169R31.7Very low29.7Very low244 Ų244167.4 Ų167.492%0.92183%0.834SS**  trans-121.9119.3158.8-101.1-174.2166.8174.8-5.3108.5
170K27.1Very low29.6Very low193 Ų193165 Ų16584%0.83983%0.827SS**  trans-81.5144.7176.9-177.2178.6176.9-177.20108.2
171A27.3Very low29.1Very low97 Ų97167.1 Ų167.180%0.80283%0.828SS**  trans-78.2153.6176.800000111.9
172S24.8Very low28.9Very low100 Ų100167.4 Ų167.470%0.69983%0.831SS**  trans-157.7120.4168.953.70000109.8
173Q25.2Very low28.6Very low195 Ų195168.9 Ų168.991%0.91183%0.829SS**  trans33.4124.8150.4-64165.3-6100119.5
174M26.9Very low28.1Very low187 Ų187163 Ų16392%0.92182%0.817SS**  -154161.791.4-160.214169.700110.9
175E26.2Very low27.9Very low175 Ų175156.3 Ų156.382%0.81880%0.803SS**  trans-131.3126.4-167.7170.9-174.9175.800108.7
176V28.8Very low27.8Very low144 Ų144151 Ų15187%0.87380%0.796SS**  trans-145.5139.2162.5-176.80000108
177H26Very low27.5Very low153 Ų153145.8 Ų145.871%0.70879%0.787SS**  trans-115140.2-170.3-168.6-65.9000109.8
178R28.6Very low27.4Very low209 Ų209142.8 Ų142.879%0.78978%0.779SS**  trans-170.7157.3148.2-106.1-156.211880.621.3114.9
179E27.3Very low27.5Very low130 Ų130141.1 Ų141.161%0.60778%0.776SS**  trans-69.8167.9176.9-43.384.7-154.200112.2
180G26.7Very low27.4Very low63 Ų63136.8 Ų136.865%0.64977%0.766SS**  cis165.9176.8-1.400000112
181D26.4Very low27.4Very low180 Ų180135.5 Ų135.596%0.96376%0.763SS**  trans56.7164.5166.4-58.6-23.6000120.6
182G26Very low27.4Very low83 Ų83133.9 Ų133.986%0.85676%0.756SS**  trans131.491.316700000116
183S25.1Very low27.4Very low105 Ų105134 Ų13473%0.73476%0.763SS**  trans-97.1141.8176.7174.60000113.3
184S28.5Very low28.2Very low102 Ų102130 Ų13071%0.71375%0.754SS**  trans61.4174.6154.1560000116.2
185T28.7Very low28.1Very low105 Ų105130.6 Ų130.664%0.64475%0.754SS**  cis-148.8173.117.3540000111.4
186T30.8Very low28Very low113 Ų113127.1 Ų127.169%0.69375%0.749SS**  trans57.2154.8140.553.40000122.1
187D26.1Very low27.8Very low138 Ų138130 Ų13074%0.73875%0.752SS**  cis-161175.2-21.5-119.8-2.9000114
188N28.5Very low27.6Very low125 Ų125128.1 Ų128.167%0.66876%0.757SS**  trans-37.8154.9173.1-46-67.2000120.6
189T30.1Very low27.4Very low123 Ų123122.6 Ų122.676%0.75576%0.756SS**  -176.4126.7115.223.80000110
190Q30.3Very low27.3Very low152 Ų152121.8 Ų121.871%0.7177%0.765SS**  68.8143.390.6-98.1-177.4-72.200114.6
191E28.2Very low27.5Very low166 Ų166125.3 Ų125.378%0.77677%0.774SS**  cis-119.9-155.412.8-71.3-75.634.100111.9
192G27.1Very low27.5Very low64 Ų64122.7 Ų122.766%0.6677%0.765SS**  cis-176.5-3.47.500000120.2
193A24.7Very low28.1Very low101 Ų101127.6 Ų127.684%0.83576%0.758SS**  trans66-163.517100000116.7
194P41.9Very low28.7Very low111 Ų111126.3 Ų126.372%0.72175%0.749SS**  -129.9171.1-78.137.5-23.9000116
195H24.9Very low28.9Very low201 Ų201127.1 Ų127.193%0.93175%0.745SS**  trans-145.5154.3149.5-95.8-52000112.1
196S23.6Very low29.4Very low101 Ų101124 Ų12471%0.70673%0.733SS**  trans-133.8141.4-170.753.10000112.1
197H23.8Very low29.9Very low204 Ų204120.9 Ų120.994%0.94472%0.719SS**  trans-151.6154.2154.9-91.6-66.7000109.9
198S21.8Very low30.7Very low114 Ų114122 Ų12280%0.79772%0.718SS**  trans-131.3139.9-168.455.90000111.8
199A24.4Very low31.3Very low93 Ų93119 Ų11977%0.76970%0.699SS**  trans167.1167.5134.700000113.2
200S25.5Very low32.2Very low114 Ų114119.5 Ų119.580%0.79769%0.693SS**  trans71.974.6154.5-56.90000118.7T202S200-T202 PolarHBondContact O-N 3.37Å
201T30.2Very low33.1Very low136 Ų136117.2 Ų117.283%0.83469%0.685SS**  trans-69.5113.3166.1-51.20000111.9
202T28.2Very low34Very low126 Ų126113.5 Ų113.577%0.77367%0.667SS**  trans-116.8124.9156.244.20000109.1S200 S204S200-T202 PolarHBondContact O-N 3.37Å; T202-S204 VanDerWaalsContact C-N 3.3Å; T202-S204 PolarHBondContact O-N 3.24Å
203Y36.9Very low35Very low186 Ų186114.4 Ų114.473%0.72965%0.65SS**  trans-78.577.2-175.241.7-91.8000111.3L205Y203-L205 PolarHBondContact O-N 2.93Å
204S37.8Very low36.1Very low77 Ų77115.2 Ų115.254%0.53864%0.637SS.*  trans-60.6120.5176.3179.10000111.5T202 G206 A207T202-S204 VanDerWaalsContact C-N 3.3Å; T202-S204 PolarHBondContact O-N 3.24Å; S204-G206 PolarHBondContact O-N 3.4Å; S204-G206 VanDerWaalsContact O-N 3.08Å; S204-G206 PolarHBondContact OG-N 3.4Å; S204-A207 PolarHBondContact O-N 2.93Å
205L33.9Very low36.2Very low120 Ų120115.6 Ų115.663%0.62863%0.633SS**Hα-helixtrans-58.7-20.3172.7-139.8163.3000111.7W136 Y203 F209W136-L205 HydrophobicContact CZ2-CD2 4.2Å; Y203-L205 PolarHBondContact O-N 2.93Å; L205-F209 HydrophobicContact CD2-CD2 4.46Å; L205-F209 PolarHBondContact O-N 2.91Å
206G38.8Very low37.2Very low38 Ų38107.8 Ų107.839%0.39260%0.597SS.*Hα-helixtrans-69.4-34.3173.300000114.3S204 F209 Q210S204-G206 PolarHBondContact O-N 3.4Å; S204-G206 VanDerWaalsContact O-N 3.08Å; S204-G206 PolarHBondContact OG-N 3.4Å; G206-F209 WeakPolarHBondContact O-CB 3.37Å; G206-F209 PolarHBondContact O-N 3.11Å; G206-Q210 WeakPolarHBondContact O-CB 3.41Å; G206-Q210 PolarHBondContact O-N 2.91Å
207A41.9Very low37.9Very low49 Ų49107 Ų10741%0.40559%0.591SS.*Hα-helixtrans-64.9-51.1-178.800000111.2S204 F209 Q210 D211S204-A207 PolarHBondContact O-N 2.93Å; A207-F209 PolarHBondContact O-N 3.28Å; A207-Q210 WeakPolarHBondContact O-CB 3.25Å; A207-Q210 PolarHBondContact O-N 2.83Å; A207-D211 PolarHBondContact O-N 2.97Å
208F42.5Very low38.6Very low160 Ų160104.1 Ų104.170%0.70258%0.578SS**Hα-helixtrans-58.3-32.7174.9-164.9-86.4000112.4F212F208-F212 WeakPolarHBondContact O-CB 3.31Å; F208-F212 PolarHBondContact O-N 3.05Å; F208-F212 VanDerWaalsContact O-N 3.14Å
209F40.7Very low39.2Very low63 Ų63101.8 Ų101.828%0.27657%0.565SS.*Hα-helixtrans-68.3-43.2173.6-121.5-48.5000112.2W136 L205 G206 A207 W213W136-F209 AromaticContact CE2-CE2 3.84Å; W136-F209 HydrophobicContact CH2-CD2 4.33Å; W136-F209 AromaticContact CH2-CE1 3.94Å; W136-F209 HydrophobicContact CH2-CE1 3.94Å; W136-F209 AromaticContact CH2-CE2 3.63Å; W136-F209 HydrophobicContact CH2-CE2 3.63Å; W136-F209 AromaticContact CH2-CZ 3.39Å; W136-F209 HydrophobicContact CH2-CZ 3.39Å; W136-F209 AromaticContact CZ2-CD2 3.95Å; W136-F209 HydrophobicContact CZ2-CD2 3.95Å; W136-F209 HydrophobicContact CZ2-CE1 4.34Å; W136-F209 AromaticContact CZ2-CE2 3.17Å; W136-F209 HydrophobicContact CZ2-CE2 3.17Å; W136-F209 AromaticContact CZ2-CZ 3.41Å; W136-F209 HydrophobicContact CZ2-CZ 3.41Å; W136-F209 VanDerWaalsContact CZ2-CZ 3.41Å; W136-F209 HydrophobicContact CZ3-CZ 4.02Å; L205-F209 HydrophobicContact CD2-CD2 4.46Å; L205-F209 PolarHBondContact O-N 2.91Å; G206-F209 WeakPolarHBondContact O-CB 3.37Å; G206-F209 PolarHBondContact O-N 3.11Å; A207-F209 PolarHBondContact O-N 3.28Å; F209-W213 AromaticContact CD1-CD1 3.72Å; F209-W213 AromaticContact CD1-NE1 3.62Å; F209-W213 AromaticContact CE1-NE1 3.76Å; F209-W213 WeakPolarHBondContact O-CB 3.42Å; F209-W213 PolarHBondContact O-N 3.39Å
210Q49.8Very low39.7Very low133 Ų133100.3 Ų100.362%0.62156%0.559SS**Hα-helixtrans-65.7-45-179.3-175.4168.5-14.700111.3G206 A207 W213 H214G206-Q210 WeakPolarHBondContact O-CB 3.41Å; G206-Q210 PolarHBondContact O-N 2.91Å; A207-Q210 WeakPolarHBondContact O-CB 3.25Å; A207-Q210 PolarHBondContact O-N 2.83Å; Q210-W213 PolarHBondContact O-N 3.24Å; Q210-H214 PolarHBondContact O-N 3.09Å
211D48.1Very low40Very low104 Ų10499.8 Ų99.856%0.55656%0.555SS**Hα-helixtrans-62-48.2175.6-62.9-30.9000111.4A207 W213 H214 D215A207-D211 PolarHBondContact O-N 2.97Å; D211-W213 VanDerWaalsContact C-N 3.3Å; D211-W213 PolarHBondContact O-N 2.73Å; D211-H214 WeakPolarHBondContact O-CA 3.26Å; D211-H214 WeakPolarHBondContact O-CB 2.82Å; D211-H214 PolarHBondContact O-N 3.04Å; D211-D215 PolarHBondContact O-N 3.36Å
212F47.4Very low40Very low88 Ų88103.4 Ų103.439%0.38656%0.558SS.*Hα-helixtrans-59.7-37.5176.9178.8-106000112.9F208 I216F208-F212 WeakPolarHBondContact O-CB 3.31Å; F208-F212 PolarHBondContact O-N 3.05Å; F208-F212 VanDerWaalsContact O-N 3.14Å; F212-I216 HydrophobicContact CD1-CD1 3.87Å; F212-I216 HydrophobicContact CD2-CD1 4.46Å; F212-I216 HydrophobicContact CE1-CD1 3.48Å; F212-I216 VanDerWaalsContact CE1-CD1 3.48Å; F212-I216 HydrophobicContact CE2-CD1 4.12Å; F212-I216 HydrophobicContact CG-CD1 4.35Å; F212-I216 HydrophobicContact CZ-CD1 3.63Å; F212-I216 WeakPolarHBondContact O-CD1 3.32Å; F212-I216 VanDerWaalsContact O-CG1 3.29Å; F212-I216 WeakPolarHBondContact O-CG1 3.27Å; F212-I216 PolarHBondContact O-N 3.27Å
213W48.4Very low40.1Very low84 Ų84107.1 Ų107.132%0.31856%0.564SS.*Hα-helixtrans-70.1-36.5172.4-85.2118.2000112.7I78 V82 F209 Q210 D211 I216 C217I78-W213 HydrophobicContact CG2-CH2 4.44Å; V82-W213 HydrophobicContact CB-CH2 4.46Å; V82-W213 HydrophobicContact CG1-CH2 4.16Å; V82-W213 HydrophobicContact CG1-CZ2 4.41Å; V82-W213 HydrophobicContact CG2-CH2 4Å; V82-W213 HydrophobicContact CG2-CZ2 4.09Å; F209-W213 AromaticContact CD1-CD1 3.72Å; F209-W213 AromaticContact CD1-NE1 3.62Å; F209-W213 AromaticContact CE1-NE1 3.76Å; F209-W213 WeakPolarHBondContact O-CB 3.42Å; F209-W213 PolarHBondContact O-N 3.39Å; Q210-W213 PolarHBondContact O-N 3.24Å; D211-W213 VanDerWaalsContact C-N 3.3Å; D211-W213 PolarHBondContact O-N 2.73Å; W213-I216 HydrophobicContact CE3-CG2 4.29Å; W213-I216 HydrophobicContact CZ3-CG2 4.31Å; W213-I216 PolarHBondContact O-N 3.23Å; W213-C217 WeakPolarHBondContact O-CB 3.44Å; W213-C217 PolarHBondContact O-N 3.12Å; W213-C217 PolarHBondContact O-SG 2.94Å; W213-C217 VanDerWaalsContact O-SG 3.34Å
214H48.3Very low39.6Very low118 Ų118103.3 Ų103.355%0.54656%0.564SS.*Hα-helixtrans-62.1-46.7177.3-122.8-102.9000112Q210 D211 I216 C217 Q218Q210-H214 PolarHBondContact O-N 3.09Å; D211-H214 WeakPolarHBondContact O-CA 3.26Å; D211-H214 WeakPolarHBondContact O-CB 2.82Å; D211-H214 PolarHBondContact O-N 3.04Å; H214-I216 PolarHBondContact O-N 2.92Å; H214-C217 PolarHBondContact O-N 2.98Å; H214-Q218 PolarHBondContact O-N 3.22Å
215D43.7Very low39Very low119 Ų119109.5 Ų109.564%0.63658%0.582SS**Hα-helixtrans-61.1-43.6175.7-89.3-6.1000112.4D211 C217 A219D211-D215 PolarHBondContact O-N 3.36Å; D215-C217 VanDerWaalsContact C-N 3.27Å; D215-C217 PolarHBondContact O-N 3.31Å; D215-A219 WeakPolarHBondContact O-CB 3.48Å; D215-A219 PolarHBondContact O-N 2.86Å; D215-A219 VanDerWaalsContact O-N 3.1Å
216I44.7Very low38.8Very low37 Ų37111.4 Ų111.419%0.1959%0.592CS.*Hα-helixtrans-61.8-37.5177.3-74.6172000111.3F212 W213 H214F212-I216 HydrophobicContact CD1-CD1 3.87Å; F212-I216 HydrophobicContact CD2-CD1 4.46Å; F212-I216 HydrophobicContact CE1-CD1 3.48Å; F212-I216 VanDerWaalsContact CE1-CD1 3.48Å; F212-I216 HydrophobicContact CE2-CD1 4.12Å; F212-I216 HydrophobicContact CG-CD1 4.35Å; F212-I216 HydrophobicContact CZ-CD1 3.63Å; F212-I216 WeakPolarHBondContact O-CD1 3.32Å; F212-I216 VanDerWaalsContact O-CG1 3.29Å; F212-I216 WeakPolarHBondContact O-CG1 3.27Å; F212-I216 PolarHBondContact O-N 3.27Å; W213-I216 HydrophobicContact CE3-CG2 4.29Å; W213-I216 HydrophobicContact CZ3-CG2 4.31Å; W213-I216 PolarHBondContact O-N 3.23Å; H214-I216 PolarHBondContact O-N 2.92Å
217C40Very low38.2Very low83 Ų83114.5 Ų114.556%0.56161%0.607SS**Hα-helixtrans-75-46.1178.6-74.50000112.7W213 H214 D215 A219 G220W213-C217 WeakPolarHBondContact O-CB 3.44Å; W213-C217 PolarHBondContact O-N 3.12Å; W213-C217 PolarHBondContact O-SG 2.94Å; W213-C217 VanDerWaalsContact O-SG 3.34Å; H214-C217 PolarHBondContact O-N 2.98Å; D215-C217 VanDerWaalsContact C-N 3.27Å; D215-C217 PolarHBondContact O-N 3.31Å; C217-A219 VanDerWaalsContact C-N 3.31Å; C217-A219 PolarHBondContact O-N 3.27Å; C217-G220 PolarHBondContact O-N 3.11Å; C217-G220 VanDerWaalsContact O-N 3.15Å
218Q38.9Very low37.6Very low144 Ų144119.4 Ų119.467%0.67363%0.625SS**Hα-helixtrans-60.2-40.7177.6-77.7-1608.700112.1H214 G220 C221H214-Q218 PolarHBondContact O-N 3.22Å; Q218-G220 PolarHBondContact O-N 3.07Å; Q218-C221 PolarHBondContact O-N 3.02Å; Q218-C221 VanDerWaalsContact O-N 3.11Å
219A33Very low36.9Very low65 Ų65119.6 Ų119.654%0.53763%0.633SS.*THydrogen-bonded Turntrans-63.6-4.217900000115D215 C217D215-A219 WeakPolarHBondContact O-CB 3.48Å; D215-A219 PolarHBondContact O-N 2.86Å; D215-A219 VanDerWaalsContact O-N 3.1Å; C217-A219 VanDerWaalsContact C-N 3.31Å; C217-A219 PolarHBondContact O-N 3.27Å
220G35.6Very low36.3Very low62 Ų62125.3 Ų125.364%0.63966%0.658SS**THydrogen-bonded Turntrans-97.8-23.1173.400000115.6C217 Q218 K222C217-G220 PolarHBondContact O-N 3.11Å; C217-G220 VanDerWaalsContact O-N 3.15Å; Q218-G220 PolarHBondContact O-N 3.07Å; G220-K222 PolarHBondContact O-N 3.27Å
221C30.9Very low35.2Very low104 Ų104124.7 Ų124.770%0.70367%0.669SS**  trans-97.369.1-157.9-161.80000114.9Q218 K223Q218-C221 PolarHBondContact O-N 3.02Å; Q218-C221 VanDerWaalsContact O-N 3.11Å; C221-K223 PolarHBondContact O-N 3.38Å
222K31.1Very low34.3Very low211 Ų211124.8 Ų124.892%0.91767%0.673SS**  trans-76.6111.5166-73.9-164.6174-169.60110.4G220 S224G220-K222 PolarHBondContact O-N 3.27Å; K222-S224 PolarHBondContact O-N 3.29Å
223K30.5Very low33.3Very low204 Ų204128.5 Ų128.589%0.88769%0.692SS**  trans-41.6116.7-174.5-62.1179.5-179.6-179.50113.6C221 K225C221-K223 PolarHBondContact O-N 3.38Å; K223-K225 PolarHBondContact O-N 2.67Å
224S25.9Very low32.4Very low106 Ų106130.9 Ų130.974%0.74172%0.716SS**  trans-77.9111.1164.652.10000109.7K222 L226K222-S224 PolarHBondContact O-N 3.29Å; S224-L226 PolarHBondContact O-N 2.93Å; S224-L226 VanDerWaalsContact O-N 3.13Å
225K25.5Very low31.2Very low207 Ų207132 Ų13290%0.973%0.726SS**  trans-79.694178.1-163.6177.6-174.6-176.70109.7K223 S227K223-K225 PolarHBondContact O-N 2.67Å; K225-S227 PolarHBondContact O-N 2.81Å
226L29.1Very low30.3Very low160 Ų160133.5 Ų133.584%0.83873%0.734SS**  trans-70111.1168.4-87.9160.4000109.1S224S224-L226 PolarHBondContact O-N 2.93Å; S224-L226 VanDerWaalsContact O-N 3.13Å
227S25.9Very low29.4Very low103 Ų103135.7 Ų135.772%0.7277%0.765SS**  trans-87.5111.1160.8500000108.4K225K225-S227 PolarHBondContact O-N 2.81Å
228I29.6Very low28.6Very low152 Ų152141.9 Ų141.978%0.77978%0.778SS**  trans-66.9132.6163.4-68.7167.1000107.4K230I228-K230 HydrophobicContact CG2-CB 4.44Å
229D26.9Very low28Very low164 Ų164141.3 Ų141.388%0.87779%0.785SS**  trans-113.2140.9153.8-101.4-47.6000108.5
230K28.5Very low27.6Very low183 Ų183142.2 Ų142.280%0.79679%0.787SS**  trans-127.9114.6-170176.8-171.1174.2-174.30109.6I228I228-K230 HydrophobicContact CG2-CB 4.44Å
231S27.8Very low27.4Very low120 Ų120147.2 Ų147.284%0.83980%0.798SS**  trans-145.7154.5164.145.80000109.6
232T28.9Very low27.1Very low107 Ų107148.8 Ų148.866%0.65680%0.799SS**  trans-137.6151.7-164.242.90000111.6
233E25.7Very low27Very low165 Ų165142.4 Ų142.477%0.77179%0.794SS**  trans66.7139.5157.3-74.8177102.300121.2
234T29Very low26.7Very low135 Ų135142.4 Ų142.483%0.82879%0.788SS**  trans60.6146.7156.757.30000117.6
235D23Very low26.7Very low140 Ų140143 Ų14375%0.74979%0.787SS**  cis-149.7-171.119.6-16813.6000111.4
236N25.6Very low26.8Very low152 Ų152140.1 Ų140.181%0.81379%0.787SS**  trans-62.5154.3-176.5-69.3-85.2000115.6
237G25.3Very low26.6Very low82 Ų82139.6 Ų139.685%0.84579%0.785SS**  trans-167.370.3178.900000114.6
238Y23.9Very low26.6Very low213 Ų213145.4 Ų145.484%0.83579%0.791SS**  trans-83.9114.4-177.9-175.6-80000112.4
239V25.9Very low26.4Very low133 Ų133143.1 Ų143.181%0.80679%0.789SS**  trans-141.9120.3153.4-179.20000109.2
240S26Very low26.3Very low84 Ų84140.9 Ų140.959%0.58779%0.786SS**  trans-100.5142.3166.1-174.70000109.8
241L29.5Very low26.3Very low167 Ų167141.4 Ų141.487%0.87479%0.791SS**  trans-132.998.8162.5-80.4177.6000108.9
242D26.1Very low26.3Very low136 Ų136145.1 Ų145.173%0.72780%0.796SS**  trans-75.4146.8169.8-176.58.8000110.4R244D242-R244 PolarHBondContact OD1-N 3.25Å
243G27.6Very low26.2Very low78 Ų78143.2 Ų143.280%0.80480%0.797SS**  trans-128.315.4-175.600000114.7
244R25.5Very low26.1Very low204 Ų204143.1 Ų143.177%0.7780%0.801SS**  trans13103.3160-170.3167-178.8154.12.1120.1D242D242-R244 PolarHBondContact OD1-N 3.25Å
245V26.1Very low25.8Very low117 Ų117145.9 Ų145.971%0.70980%0.804SS**  trans63.6122.6130.7177.20000121.1
246T27.2Very low25.9Very low147 Ų147146.8 Ų146.890%0.90281%0.808SS**  -133.4152.6115.148.90000109.9
247N24.5Very low26Very low150 Ų150144.7 Ų144.780%0.80280%0.803SS**  trans-146.6174.2-172.6-168.510.1000110.5
248R26.6Very low25.9Very low225 Ų225148.8 Ų148.885%0.84980%0.8SS**  trans93.8125.3-174.7-61.3-175.8166.5174.4-5.1114
249S25Very low25.8Very low103 Ų103146 Ų14672%0.7280%0.795SS**  cis93.5124.422.880.70000115.4
250S24.6Very low25.5Very low118 Ų118151.1 Ų151.183%0.82580%0.799SS**  trans-160.3112.8148.3-149.90000110.5
251E29.6Very low25.4Very low194 Ų194151.2 Ų151.291%0.90780%0.799SS**  trans-128.3124.6158.1-82.5-170103.700106.6
252E26.8Very low25Very low198 Ų198150.3 Ų150.393%0.92580%0.795SS**  trans-172.5134.7173.3-108.7164.9-147.200107
253G25.8Very low25.4Very low66 Ų66148.8 Ų148.868%0.6879%0.793SS**  cis177.4157.1-12.100000113.2
254L25.3Very low25.2Very low163 Ų163152.3 Ų152.385%0.85379%0.793SS**  trans53.1121.6150.9-69.9141.8000122.1
255Q22.8Very low25Very low194 Ų194148.5 Ų148.591%0.90779%0.792SS**  -175156.2107.5-100.4168.376.600115.7
256L23.7Very low24.9Very low159 Ų159153.6 Ų153.683%0.83280%0.798SS**  trans-157.3158.5173.7-101.8166.4000106.1
257P29.3Very low25.3Very low107 Ų107152 Ų15270%0.69579%0.791SS**  cis-115.4-149.936.627.9-4.7000111.8
258E21.6Very low25.3Very low169 Ų169151.4 Ų151.479%0.7979%0.788SS**  cis-135.1165.88.4-76.6-172.486.400110.1
259Q22.2Very low25.2Very low155 Ų155149.8 Ų149.872%0.72479%0.789SS**  cis106.575.314.1-159.9-177.7-4.800117.8
260R20.6Very low25.2Very low239 Ų239149.8 Ų149.890%0.90280%0.796SS**  trans-170.8123.1139.7-130.7169.8176.9129.3-2.3108.2
261C22.3Very low25.2Very low87 Ų87148.7 Ų148.759%0.58879%0.787SS**  cis92.187.433.4-63.70000115.5
262D21.7Very low24.9Very low148 Ų148150.3 Ų150.379%0.79179%0.785SS**  trans66.9172.7137.8-53.8-57.5000118.2
263P34.6Very low24.9Very low104 Ų104146.5 Ų146.568%0.67578%0.776SS**  cis-143.7-179.87.346.2-27.8000118.9
264L22.9Very low25.4Very low152 Ų152148.3 Ų148.380%0.79678%0.775SS**  trans64.6119.6142.6-74.7158.4000124.1
265T22.5Very low25.4Very low123 Ų123148.2 Ų148.276%0.75577%0.77SS**  trans82140130-45.30000123.5
266R22.9Very low25.5Very low224 Ų224146.1 Ų146.185%0.84576%0.764SS**  trans-45.3175.4160.3-101.7-179.8174.1145.4-4116.2
267P36.1Very low25.8Very low114 Ų114146.8 Ų146.874%0.7476%0.763SS**  cis-135.3-154.18.942.2-22.2000115
268D24.1Very low26.3Very low138 Ų138147 Ų14774%0.73876%0.764SS**  trans-80.5-173.9-178.7-51.4-98.7000116.8
269E25.4Very low26.7Very low190 Ų190143.2 Ų143.289%0.88876%0.756SS**  trans72.1114.2157.9-66.8-168.2152.600122
270A25.5Very low27.1Very low104 Ų104144.4 Ų144.486%0.8676%0.761SS**  168.5155109.500000112.1
271C23.1Very low27.6Very low95 Ų95136.7 Ų136.764%0.64274%0.744SS**  cis-167.6-179.9-33.2-164.50000108.6
272W24.5Very low27.9Very low228 Ų228141.3 Ų141.386%0.86476%0.756SS**  trans78.1107.3159.8-55.9115.4000121.6
273T25.1Very low28.2Very low118 Ų118138.8 Ų138.872%0.72476%0.756SS**  trans-69.9172.8135.347.90000109.8
274P38.1Very low27.9Very low103 Ų103138.3 Ų138.367%0.66976%0.761SS**  cis-151.3-166.330.737-10.5000118.4
275H24.6Very low29.3Very low162 Ų162136.5 Ų136.575%0.7576%0.758SS**  trans82.1114.1156.5-74.1-56.6000123.6
276I25.6Very low29.9Very low150 Ų150135.9 Ų135.977%0.76976%0.759SS**  77.2142.8124.4-66.4174.2000122
277Q29Very low30.3Very low173 Ų173130.9 Ų130.981%0.80876%0.758SS**  trans-39.6167.8166.1-96.8176.9-10.100117.7
278P39.5Very low30Very low112 Ų112129 Ų12973%0.72776%0.76SS**  cis-155.7166.649.244.8-23.2000122.8
279S30.3Very low30.5Very low88 Ų88130 Ų13062%0.61576%0.764SS**  trans37.8137.714267.60000125.9
280H30.8Very low30.7Very low181 Ų181128.1 Ų128.184%0.83876%0.76SS**  172.2163.2129-88.9-47.1000109.9
281S30.1Very low31Very low76 Ų76131.1 Ų131.153%0.53176%0.758SS.*  cis-173171.2-18.451.50000111.7
282H29.1Very low31.2Very low184 Ų184130.6 Ų130.685%0.85276%0.76SS**  trans67.8152.9170.2-48.9-69.6000118.7
283A28.5Very low31.3Very low96 Ų96124.1 Ų124.179%0.79376%0.764SS**  cis-166.5172-26.300000110.8
284A27.9Very low31.4Very low94 Ų94122.3 Ų122.378%0.77777%0.769SS**  trans-144.7-162.6-176.500000110.8
285P52.5Low30.9Very low113 Ų113125.1 Ų125.173%0.73478%0.779SS**  cis-147.8-175.8-0.644.7-24.6000119.7
286S34.6Very low31.2Very low110 Ų110127.2 Ų127.277%0.76979%0.786SS**  trans78.2168.7151.384.60000120
287S31.6Very low31.3Very low119 Ų119128.7 Ų128.783%0.83279%0.789SS**  cis-165.7150.4-2.3-140.90000115.7
288G29.8Very low31.8Very low75 Ų75126.1 Ų126.177%0.77379%0.788SS**  trans68.2163.3155.400000121.5
289L35.3Very low31.3Very low159 Ų159124.9 Ų124.983%0.83279%0.787SS**  cis-168.3170.5-20.9-166.666000110.9
290L29.7Very low31.1Very low151 Ų151125.3 Ų125.379%0.79179%0.79SS**  trans92.3141164.1-49.4175.5000118
291M31.5Very low31Very low166 Ų166124.1 Ų124.182%0.81879%0.79SS**  cis-162.9155.9-14.8-116.8-61.1-120.800114.2
292A28.1Very low30.9Very low84 Ų84129.7 Ų129.769%0.69481%0.807SS**  trans57.494.6148.300000125
293G26.5Very low30.9Very low92 Ų92125.8 Ų125.895%0.94881%0.807SS**  58.6133.4108.500000125.2
294G25.5Very low30.8Very low81 Ų81127.3 Ų127.384%0.83581%0.811SS**  trans170.8135.4160.500000115.6
295N28.8Very low30.7Very low162 Ų162127.9 Ų127.987%0.86681%0.81SS**  trans-97.6145.8177.4-71.3-6.8000112.4
296K29.9Very low29.5Very low206 Ų206131.9 Ų131.990%0.89682%0.819SS**  152.2134.6127.6-87.6177.2178.7-178.10115.2
297E27.5Very low29.2Very low181 Ų181135.9 Ų135.985%0.84683%0.825SS**  trans-76165.9147.3-75.6-172.1146.800110
298P40.8Very low28.9Very low119 Ų119138 Ų13877%0.77383%0.828SS**  cis-146.7-172.926.842.3-21.4000118.2
299A27.7Very low29.2Very low86 Ų86139.2 Ų139.271%0.71182%0.822SS**  trans103.814213700000122.2
300S27Very low28.8Very low97 Ų97140.7 Ų140.768%0.67882%0.824SS**  trans68.8101156.544.80000121.5
301D28Very low28.7Very low156 Ų156138 Ų13883%0.83482%0.823SS**  89.8146.1120.2-55.1-18000123.3
302E29.4Very low28.7Very low193 Ų193135.1 Ų135.190%0.90282%0.82SS**  trans62.478.5163-69.4-82.8117.200119.2
303A29.3Very low28.7Very low101 Ų101142.4 Ų142.484%0.83583%0.831SS**  trans-151.3124.3142.900000112
304S26.4Very low28.8Very low128 Ų128142.9 Ų142.990%0.89582%0.82SS**  trans-86.2131.8173.5176.30000111.3
305S25.4Very low28.9Very low107 Ų107143.3 Ų143.375%0.74882%0.816SS**  trans-151110170.758.90000111.7
306E26.4Very low28.8Very low196 Ų196142.4 Ų142.492%0.91681%0.81SS**  trans-136.1134155.8-72-165.4115.600108.8
307E28.1Very low28.7Very low194 Ų194141.3 Ų141.391%0.90780%0.8SS**  trans-90.5137.9171-61.8-179104.200108.6P309E307-P309 WeakPolarHBondContact O-CD 3.42Å
308D26.2Very low28.5Very low165 Ų165142 Ų14288%0.88280%0.795SS**  trans-118107.1-168.4-176.929000112.7
309P36.6Very low27.7Very low100 Ų100140.6 Ų140.665%0.64979%0.794SS**  trans-108.5137.8176.737.2-29.5000114.8E307E307-P309 WeakPolarHBondContact O-CD 3.42Å
310E25.5Very low27.6Very low189 Ų189141.6 Ų141.688%0.88380%0.796SS**  trans76.8137150.8-62.7-154.4138.800123.5
311A28.9Very low27.5Very low94 Ų94143 Ų14378%0.77779%0.791SS**  trans57.1123.9135.100000122.8
312S30.6Very low27.3Very low107 Ų107144.8 Ų144.875%0.74879%0.786SS**  trans-55.7148.3163.7-43.30000114.7
313Y27.3Very low27.2Very low236 Ų236143.8 Ų143.893%0.92578%0.779SS**  trans-148.4-176.7139.1-104.4-64.2000112.1
314S29.7Very low26.9Very low103 Ų103145.4 Ų145.472%0.7277%0.774SS**  trans-138.3150.1-159.360.40000115.1
315A27.8Very low26.9Very low89 Ų89143.1 Ų143.174%0.73676%0.758SS**  trans97.8148.5145.200000121.2
316L26.3Very low26.9Very low144 Ų144144.9 Ų144.975%0.75476%0.759SS**  trans85117.6144.4-113.668.1000122.8
317R27.1Very low26.9Very low182 Ų182140.8 Ų140.869%0.68775%0.751SS**  trans80.4116.1138.1-83.1169.4174.3-175.3-0.8123
318R24.9Very low26.9Very low195 Ų195137.5 Ų137.574%0.73674%0.744SS**  81.3114.4126.3-72.4-165.7-146.1118.7-16122.7
319A23.4Very low26.9Very low91 Ų91136.5 Ų136.575%0.75274%0.738SS**  87.7155.5113.400000121.5
320S24.9Very low26.5Very low106 Ų106142.1 Ų142.174%0.74175%0.746SS**  trans69.4143.7179.4-79.10000118.9
321E25.3Very low26.6Very low126 Ų126140.1 Ų140.159%0.58974%0.742SS**  cis-167.9128.4-25.8-123.6-175.8-179.500111.9
322R24.7Very low26.5Very low194 Ų194147.2 Ų147.273%0.73275%0.748SS**  trans56.6171.7160.7-40.6-168.7-176.38414.5116.7
323K25.6Very low26.5Very low173 Ų173149.9 Ų149.975%0.75275%0.747SS**  cis-156.3150.9-0.1-151.3-176.4177.6-177.40111
324N23.7Very low26.4Very low134 Ų134145.1 Ų145.172%0.71774%0.737SS**  trans61.3160.9157.9-85.635.8000120.6
325S26.2Very low26.3Very low81 Ų81145 Ų14557%0.56673%0.732SS**  cis-176.9132.3-36.451.30000111.3
326D26Very low26.2Very low143 Ų143149.8 Ų149.877%0.76574%0.739SS**  trans177123.3134.9-94.9-22.2000109.8
327C26.1Very low26.1Very low110 Ų110149.7 Ų149.774%0.74374%0.738SS**  74.5117.181.5-67.60000112.3
328T27.2Very low26Very low126 Ų126151.3 Ų151.377%0.77375%0.746SS**  cis-140.4-161.113.558.80000110.1
329L28.2Very low25.9Very low144 Ų144151.6 Ų151.675%0.75475%0.752SS**  cis-149.7-91.39.4-144.7177.8000113.5
330R27.2Very low25.9Very low218 Ų218155.6 Ų155.682%0.82375%0.753SS**  trans-147.8137.1-171.5-79.2169.8175.7165.7-3.5109.8
331N27.6Very low25.8Very low147 Ų147159.3 Ų159.379%0.78676%0.758SS**  69120.259.2-156.328.7000111
332R26.6Very low25.6Very low242 Ų242162.8 Ų162.891%0.91377%0.767SS**  -151.8148.476.2-167.9169.6178.4169.3-2.5114.8
333K29.9Very low25.6Very low164 Ų164159.6 Ų159.671%0.71377%0.769SS**  trans-133.1154177-174.1-178.6-175.8-179.30109.3
334N26.6Very low25.5Very low135 Ų135156.6 Ų156.672%0.72277%0.766SS**  trans163.1138.1142.3-82.5-7.2000110
335T27.5Very low25.6Very low101 Ų101158.7 Ų158.762%0.6277%0.771SS**  cis80.9121.240.2-54.10000112.9
336H25.7Very low25.5Very low189 Ų189161.7 Ų161.788%0.87578%0.781SS**  trans-161.6175.5144.5-100.5-64.1000111.2
337L24.7Very low25.6Very low143 Ų143160.5 Ų160.575%0.74978%0.778SS**  trans-150.2162.1-155.5-164.671.8000111.8
338Y25.1Very low26.1Very low215 Ų215160.5 Ų160.584%0.84378%0.777SS**  trans67154.3-178-75.4-92.4000114.6
339K22.2Very low26.2Very low201 Ų201163.7 Ų163.787%0.87478%0.78SS**  cis-147.417919.5-161.6171.8177179.90111
340K23.2Very low26.2Very low175 Ų175162.5 Ų162.576%0.76178%0.784SS**  trans-114.6137.3-177171.7-169179.5-171.30111
341H22.5Very low26.2Very low185 Ų185155.4 Ų155.486%0.85678%0.778SS**  trans-170.1-166.8141.8-115.3-92.3000112
342Y22.1Very low26.2Very low199 Ų199155 Ų15578%0.7878%0.782SS**  trans-129.3179.1-151.8-125.3-98.3000114
343T23.5Very low26.3Very low126 Ų126148.2 Ų148.277%0.77377%0.771SS**  trans67.3154.2163.548.80000118.8
344V24.5Very low26Very low111 Ų111146.1 Ų146.167%0.67378%0.776SS**  cis-166.6144-26.9126.30000107.8
345E24.4Very low26Very low177 Ų177144.2 Ų144.283%0.82777%0.773SS**  trans55.1169.5167.2-72.4164.8159.900117.2
346D24.5Very low26Very low144 Ų144144.8 Ų144.877%0.7778%0.781SS**  cis-143.3-177.2-2.9-151.1-16.3000111.6
347V28.4Very low26.1Very low118 Ų118146.7 Ų146.772%0.71578%0.78SS**  trans-119.9144.7-172.1-175.30000112.9
348P36.3Very low26.1Very low110 Ų110144.7 Ų144.771%0.71478%0.777SS**  trans-146.4123.5130.231.9-14000116.9
349K29.9Very low26.1Very low194 Ų194139.7 Ų139.784%0.84377%0.774SS**  54.3146.1129.5-63.8169.1-174.4170.50120.2
350S28.3Very low26.2Very low119 Ų119135.2 Ų135.283%0.83277%0.768SS**  cis-172.2178.8-2.545.90000108.2
351G26.3Very low26.3Very low68 Ų68133.4 Ų133.470%0.70176%0.764SS**  cis-131.5-135.82.300000111.3
352T29Very low26.4Very low140 Ų140134.2 Ų134.286%0.85976%0.759SS**  cis-141.3158-0.6-68.10000108.7
353S26.9Very low26.6Very low99 Ų99131.6 Ų131.669%0.69276%0.764SS**  trans-68.8169.5-174.150.40000114.6
354C24Very low26.7Very low120 Ų120133.4 Ų133.481%0.81176%0.764SS**  cis-158-179.440.4-63.20000112.9
355S27.6Very low26.7Very low94 Ų94134.2 Ų134.266%0.65776%0.764SS**  cis178.5115.3-45.1-177.40000112.1
356S27.2Very low26.7Very low113 Ų113130.9 Ų130.979%0.7976%0.761SS**  trans174.1122.114927.40000108.6
357R26.8Very low26.7Very low229 Ų229132.8 Ų132.886%0.86477%0.765SS**  83.1128.353.7-75.4-171.8176.6-175.4-0.7112.7
358C25.1Very low26.4Very low102 Ų102132.4 Ų132.469%0.68977%0.767SS**  cis-163.91482.8-142.80000115.6
359S25Very low25.8Very low110 Ų110132.4 Ų132.477%0.76977%0.766SS**  trans49.4149.3144.350.10000121.9
360S25Very low25.5Very low106 Ų106133.9 Ų133.974%0.74177%0.766SS**  cis-147.814820.9-170.80000109.3
361M24.3Very low25.4Very low137 Ų137136.8 Ų136.868%0.67577%0.766SS**  5213565.4-83.9-154.9169.400115
362R25.1Very low25.3Very low203 Ų203143 Ų14377%0.76678%0.777SS**  cis-166.1-179.87.3-138.9176-173.3157.4-1.3110.8
363T26.6Very low25.2Very low144 Ų144141.1 Ų141.188%0.88377%0.769SS**  trans106.7174.5166.177.40000118.2
364Q26.6Very low25.3Very low164 Ų164146.1 Ų146.177%0.76678%0.781SS**  trans-150.1170.2-140.3-152.8-175.7-76.600112.9
365D23.5Very low25.7Very low128 Ų128145 Ų14568%0.68477%0.771SS**  trans96.2118.7158.2-55.6-36.1000121.5
366S24.6Very low25.8Very low107 Ų107148.8 Ų148.875%0.74878%0.778SS**  trans46.5123.5144.3-560000125.8
367E23.6Very low26.1Very low184 Ų184150.7 Ų150.786%0.8678%0.78SS**  trans42.4113.4144.3-66.9-172.593.400122.2
368S21.9Very low26.4Very low109 Ų109145.4 Ų145.476%0.76277%0.768SS**  176.115399.947.10000115.9
369T23.9Very low26.7Very low111 Ų111148 Ų14868%0.68177%0.772SS**  trans45.4112.3155.151.20000124.2
370R23.3Very low27.1Very low224 Ų224152.4 Ų152.485%0.84577%0.772SS**  trans76.7138.3134.5-71-170.1172.4106.6-1.1122.5
371H26.7Very low27.6Very low180 Ų180153.9 Ų153.983%0.83377%0.767SS**  trans53.6104.2154.7-79.1-40.6000120.4
372E23.8Very low27.8Very low200 Ų200154.1 Ų154.194%0.93577%0.771SS**  trans-114.9160.2134-74.5-169.5110.600109.6
373S27.3Very low28Very low99 Ų99153.2 Ų153.269%0.69277%0.773SS**  trans-112.9149.1-163.653.60000115.2T375S373-T375 PolarHBondContact O-N 2.9Å; S373-T375 VanDerWaalsContact O-N 3.11Å; S373-T375 PolarHBondContact O-OG1 2.96Å
374E29.7Very low28.3Very low204 Ų204153.1 Ų153.195%0.95377%0.766SS**  trans-56.6107.3175.5-59.1171.5132.500111.6
375T33.2Very low28.5Very low96 Ų96153.5 Ų153.559%0.58977%0.768SS**  trans-143.739.7-176.8-23.80000114.3S373S373-T375 PolarHBondContact O-N 2.9Å; S373-T375 VanDerWaalsContact O-N 3.11Å; S373-T375 PolarHBondContact O-OG1 2.96Å
376E28.9Very low28.9Very low175 Ų175153.5 Ų153.582%0.81878%0.776SS**  trans-100.5-11.9177.2-66.2-169.9172.400114.6L378E376-L378 PolarHBondContact O-N 3.48Å
377D32.5Very low29.1Very low153 Ų153152.4 Ų152.482%0.81877%0.774SS**THydrogen-bonded Turntrans-79.5-5-173.6-88.8-29.2000115.2
378L35Very low29.3Very low117 Ų117153 Ų15361%0.61378%0.776SS**THydrogen-bonded Turntrans-96.6-11.1-171.2-70.9174.8000116.2E376 W380E376-L378 PolarHBondContact O-N 3.48Å; L378-W380 VanDerWaalsContact C-N 3.28Å; L378-W380 PolarHBondContact O-N 2.93Å
379M31Very low29.5Very low158 Ų158153.7 Ų153.778%0.77878%0.78SS**THydrogen-bonded Turntrans-79.9-0-177.7-74.2-157.3-6900115.3
380W33.9Very low29.6Very low202 Ų202160.1 Ų160.177%0.76579%0.792SS**THydrogen-bonded Turntrans-98-9.8-178.5-72.1104.2000115L378L378-W380 VanDerWaalsContact C-N 3.28Å; L378-W380 PolarHBondContact O-N 2.93Å
381E33.5Very low29.7Very low136 Ų136154.4 Ų154.464%0.63679%0.786SS**SBendtrans-89.2-31-174.7-58.7-167127.500112.7
382D30Very low29.6Very low142 Ų142151 Ų15176%0.75978%0.782SS**G310 helixtrans-76.3-29.6-173.9-141.728.3000113.3L384D382-L384 PolarHBondContact O-N 3.12Å
383F29.6Very low29.7Very low184 Ų184147.2 Ų147.281%0.80778%0.777SS**G310 helixtrans-71.1-10.1177.6-96-76.7000114.7
384L31.8Very low29.6Very low142 Ų142149.1 Ų149.174%0.74378%0.784SS**G310 helixtrans-99.4-3.8-175.7-71.2174.1000114.4D382D382-L384 PolarHBondContact O-N 3.12Å
385H31.4Very low29.5Very low173 Ų173144.8 Ų144.880%0.80178%0.777SS**SBendtrans-97.8-0.7-175.4-101.1-68.2000116
386C30.8Very low29.2Very low128 Ų128149.2 Ų149.287%0.86579%0.79SS**SBendtrans-114.233.9-171.9-140.70000114.6
387A29.9Very low29.3Very low84 Ų84147.4 Ų147.469%0.69479%0.792SS**  trans-138.733-174.200000115.4
388E26.6Very low29.2Very low196 Ų196149.3 Ų149.392%0.91680%0.796SS**  trans-74137.2163.3-78.8-163.513400111.2R390E388-R390 PolarHBondContact O-N 2.96Å
389C27.6Very low28.9Very low123 Ų123147.3 Ų147.383%0.83180%0.803SS**  trans-79.6115.5-163-53.10000113.6S391C389-S391 PolarHBondContact O-N 3.29Å
390R25.8Very low28.8Very low247 Ų247149.4 Ų149.493%0.93281%0.811SS**  trans-75.7100.5151-90.5-173.8169.8176.9-2.4109.5E388E388-R390 PolarHBondContact O-N 2.96Å
391S24.9Very low28.6Very low103 Ų103143.7 Ų143.772%0.7281%0.814SS**  trans-126.489.6167.6-172.70000108.4C389C389-S391 PolarHBondContact O-N 3.29Å
392S24.5Very low28.3Very low108 Ų108141.4 Ų141.476%0.75583%0.827SS**  trans-78.7120.5178.6-60.30000109.9T394S392-T394 PolarHBondContact O-N 3.38Å
393C25.8Very low28.1Very low122 Ų122138.7 Ų138.782%0.82483%0.833SS**  trans-75.3116173.4-56.10000110.1
394T25.6Very low27.9Very low138 Ų138134.6 Ų134.685%0.84783%0.833SS**  trans-89.4115.516449.20000108.9S392S392-T394 PolarHBondContact O-N 3.38Å
395S27.4Very low27.6Very low114 Ų114133.1 Ų133.180%0.79784%0.835SS**  trans-122.8106.9177.7560000109.9
396E27.4Very low27.4Very low188 Ų188131.3 Ų131.388%0.87984%0.836SS**  trans-103.5118.4171.3-64.7179.5163.100108.6
397T31.1Very low26.9Very low138 Ų138129.9 Ų129.985%0.84783%0.826SS**  trans-161.6149.1150.2-8.20000110.3
398E29.2Very low26.6Very low193 Ų193132 Ų13290%0.90283%0.83SS**  trans-62.4166.5-174-60.6146.6148.600113.1
399G29.4Very low26.8Very low74 Ų74128.2 Ų128.276%0.76382%0.823SS**  trans-143.4145.5174.900000112.5
400E29.3Very low26.6Very low203 Ų203128.4 Ų128.495%0.94983%0.825SS**  trans-162.7167.1167.8-118.2-169.6151.500110.2
401G28.8Very low26.6Very low81 Ų81126.4 Ų126.484%0.83582%0.823SS**  trans80.5111160.600000117.5
402G26.6Very low26.5Very low88 Ų88131.5 Ų131.591%0.90783%0.833SS**  trans-92.4150.2166.900000113
403G26.8Very low26.4Very low85 Ų85135.6 Ų135.688%0.87684%0.84SS**  trans-170.9152.1175.200000111.2
404A25.6Very low26.4Very low98 Ų98140 Ų14081%0.8184%0.841SS**  trans-121.7149.3-169.100000113.9
405S25.8Very low26.4Very low112 Ų112144.7 Ų144.778%0.78384%0.843SS**  trans146.3142.6134.762.50000115.2
406V25.7Very low26.4Very low135 Ų135146.8 Ų146.882%0.81885%0.845SS**  trans60.9132.7146.2172.40000119.5
407C22Very low26.4Very low97 Ų97144.1 Ų144.166%0.65584%0.837SS**  cis-168136-15.4-108.60000112.4
408T23.4Very low26.4Very low129 Ų129142.9 Ų142.979%0.79183%0.831SS**  trans62.5169.8151.669.40000119.7
409P29.1Very low26.3Very low116 Ų116142.8 Ų142.875%0.75383%0.828SS**  -127.3136.6-6035.8-21.7000112.9
410S23.8Very low26.3Very low127 Ų127147.9 Ų147.989%0.88883%0.832SS**PPolyproline II helixtrans-82127.2-178.649.30000113.8
411K25.5Very low26.2Very low205 Ų205146.1 Ų146.189%0.89182%0.824SS**PPolyproline II helixtrans-83.2140.7167.1-90.2179.2175.5171.30110.3E413K411-E413 PolarHBondContact O-N 3.19Å
412K23.9Very low26.2Very low211 Ų211147.6 Ų147.692%0.91782%0.821SS**PPolyproline II helixtrans-60.5121.7175.3-73.5-179.2175.2177.60111.3
413E22.5Very low26.4Very low193 Ų193151.7 Ų151.790%0.90282%0.816SS**PPolyproline II helixtrans-77.2140162.4-172.3164.3-152.200109.4K411K411-E413 PolarHBondContact O-N 3.19Å
414Y25.2Very low27Very low215 Ų215150.5 Ų150.584%0.84379%0.789SS**  trans-108.5121.7178.9-157.8-82.7000109D416Y414-D416 PolarHBondContact O-N 2.71Å
415R25.1Very low27.2Very low236 Ų236149.8 Ų149.889%0.89178%0.776SS**PPolyproline II helixtrans-77.6119.5-173.4-171178.6-174.1173.72110.2
416D28.3Very low27.8Very low158 Ų158148.2 Ų148.285%0.84575%0.753SS**PPolyproline II helixtrans-73.2148.9175.6-90.6-42.2000112.3Y414Y414-D416 PolarHBondContact O-N 2.71Å
417D26.8Very low28.2Very low133 Ų133143.5 Ų143.571%0.71172%0.723SS**PPolyproline II helixtrans-94.5132-172.2-139.9-8.1000110.4F419D417-F419 VanDerWaalsContact C-N 3.26Å; D417-F419 PolarHBondContact O-N 2.87Å
418P30.9Very low28.8Very low111 Ų111144.7 Ų144.772%0.72172%0.719SS**SBendtrans-76.92.8-163.229.1-35000116.1
419F27.9Very low29.1Very low192 Ų192141.8 Ų141.884%0.84270%0.704SS**  trans-102.233.9-170.1-75.5-76.8000115.6D417D417-F419 VanDerWaalsContact C-N 3.26Å; D417-F419 PolarHBondContact O-N 2.87Å
420H29Very low29.5Very low181 Ų181139.1 Ų139.184%0.83869%0.688SS**  trans-97.8123.5169.6-97.4-76.5000113.5S422H420-S422 PolarHBondContact O-N 3.37Å; H420-S422 VanDerWaalsContact O-N 3.13Å
421Q28.4Very low29.8Very low166 Ų166137.5 Ų137.578%0.77667%0.669SS**  trans-73.799.4-165.4-169.5169.451.100114.2H423Q421-H423 PolarHBondContact O-CD2 3.29Å; Q421-H423 PolarHBondContact O-N 2.63Å
422S27.7Very low30.3Very low112 Ų112133 Ų13378%0.78366%0.661SS**  trans34.656.8150.152.40000118.5H420 I424H420-S422 PolarHBondContact O-N 3.37Å; H420-S422 VanDerWaalsContact O-N 3.13Å; S422-I424 PolarHBondContact O-N 3.45Å
423H30.4Very low30.8Very low173 Ų173126.1 Ų126.180%0.80165%0.65SS**  trans-73.4120.5166.8-83.7-97.5000111.6Q421 P425Q421-H423 PolarHBondContact O-CD2 3.29Å; Q421-H423 PolarHBondContact O-N 2.63Å; H423-P425 WeakPolarHBondContact O-CD 2.97Å; H423-P425 VanDerWaalsContact O-N 3.11Å
424I39Very low31.8Very low60 Ų60121.9 Ų121.931%0.30863%0.633SS.*  trans-50.3106-169.6-53168.8000113.2W24 S422 W426 L427W24-I424 HydrophobicContact CB-CD1 4.31Å; S422-I424 PolarHBondContact O-N 3.45Å; I424-W426 HydrophobicContact CG2-CB 4.35Å; I424-W426 PolarHBondContact O-N 3.35Å; I424-L427 HydrophobicContact CD1-CD1 4.12Å; I424-L427 HydrophobicContact CG2-CB 4.06Å; I424-L427 HydrophobicContact CG2-CD1 4.22Å; I424-L427 HydrophobicContact CG2-CG 4.07Å
425P31.4Very low33.4Very low84 Ų84113.2 Ų113.255%0.54560%0.6SS.*G310 helixtrans-68.8-35.3-179.9-20.634.2000112.7H423 L427 H428 S429H423-P425 WeakPolarHBondContact O-CD 2.97Å; H423-P425 VanDerWaalsContact O-N 3.11Å; P425-L427 PolarHBondContact O-N 3.25Å; P425-H428 WeakPolarHBondContact O-CA 3.39Å; P425-H428 WeakPolarHBondContact O-CB 3.34Å; P425-H428 PolarHBondContact O-N 2.91Å; P425-S429 PolarHBondContact O-N 2.73Å
426W38.9Very low35.6Very low79 Ų79107 Ų10730%0.29958%0.576SS.*G310 helixtrans-65.5-20-176.1-140.382.2000114.1L55 I424 S429 E435L55-W426 HydrophobicContact CD1-CE3 4.41Å; L55-W426 HydrophobicContact CD1-CZ3 4.46Å; L55-W426 HydrophobicContact CD2-CD2 4.15Å; L55-W426 HydrophobicContact CD2-CE3 3.96Å; L55-W426 HydrophobicContact CD2-CH2 3.61Å; L55-W426 HydrophobicContact CD2-CZ2 3.79Å; L55-W426 HydrophobicContact CD2-CZ3 3.69Å; I424-W426 HydrophobicContact CG2-CB 4.35Å; I424-W426 PolarHBondContact O-N 3.35Å; W426-S429 PolarHBondContact O-OG 3.44Å; W426-E435 WeakPolarHBondContact CH2-OE2 3.33Å; W426-E435 WeakPolarHBondContact CZ2-OE2 3.27Å
427L33.9Very low37.8Very low35 Ų3599.6 Ų99.618%0.18354%0.537CS..G310 helixtrans-961.3171.8-76.6177.4000113R31 I424 P425R31-L427 PolarHBondContact NH1-O 2.96Å; I424-L427 HydrophobicContact CD1-CD1 4.12Å; I424-L427 HydrophobicContact CG2-CB 4.06Å; I424-L427 HydrophobicContact CG2-CD1 4.22Å; I424-L427 HydrophobicContact CG2-CG 4.07Å; P425-L427 PolarHBondContact O-N 3.25Å
428H34.2Very low40.2Very low123 Ų12395.6 Ų95.657%0.56952%0.519SS*.THydrogen-bonded Turntrans-108.3-21.8-176.6-107.1-117.1000114.6K41 P425 S430K41-H428 PolarHBondContact NZ-O 2.95Å; P425-H428 WeakPolarHBondContact O-CA 3.39Å; P425-H428 WeakPolarHBondContact O-CB 3.34Å; P425-H428 PolarHBondContact O-N 2.91Å; H428-S430 VanDerWaalsContact C-N 3.33Å; H428-S430 PolarHBondContact O-N 3.43Å; H428-S430 PolarHBondContact O-OG 2.8Å
429S30.1Very low42.5Very low68 Ų6890.3 Ų90.348%0.47649%0.485SS..  trans-60.683.5172.7460000112.5P425 W426 N431P425-S429 PolarHBondContact O-N 2.73Å; W426-S429 PolarHBondContact O-OG 3.44Å; S429-N431 VanDerWaalsContact C-N 3.3Å; S429-N431 PolarHBondContact O-N 2.62Å
430S36.9Very low45.1Very low59 Ų5984 Ų8441%0.41346%0.46SS..  trans-93.649.6-171.4-49.90000112.3K41 H428K41-S430 WeakPolarHBondContact CD-OG 3.37Å; K41-S430 PolarHBondContact NZ-OG 3.04Å; H428-S430 VanDerWaalsContact C-N 3.33Å; H428-S430 PolarHBondContact O-N 3.43Å; H428-S430 PolarHBondContact O-OG 2.8Å
431N30.3Very low47.7Very low93 Ų9376.6 Ų76.650%0.49743%0.427SS..  trans-95.6120.9170.1-83.2-20.2000108.8S429 G433S429-N431 VanDerWaalsContact C-N 3.3Å; S429-N431 PolarHBondContact O-N 2.62Å; N431-G433 PolarHBondContact O-N 3.24Å; N431-G433 VanDerWaalsContact O-N 3.12Å
432P35Very low50.2Low112 Ų11270.6 Ų70.673%0.72740%0.397SS*.THydrogen-bonded Turntrans-69.3-8.3-176.927.3-34.6000114.5R436P432-R436 WeakPolarHBondContact O-CD 3.32Å
433G35.7Very low52.6Low66 Ų6670.6 Ų70.668%0.6839%0.385SS*.THydrogen-bonded Turntrans-99.1-1.2-175.800000116.9N431N431-G433 PolarHBondContact O-N 3.24Å; N431-G433 VanDerWaalsContact O-N 3.12Å
434L43.2Very low54.7Low104 Ų10466.1 Ų66.155%0.54539%0.385SS..SBendtrans-111.4122.3-179.4-115.462000111.3P48P48-L434 HydrophobicContact CB-CD2 3.92Å; P48-L434 HydrophobicContact CB-CG 4.38Å; P48-L434 HydrophobicContact CG-CD2 4.38Å
435E58.7Low56.2Low32 Ų3269.4 Ų69.415%0.1540%0.403CS..SBendtrans62.941.5-179.1-53-158.8158.700116.9W426 K591 M592W426-E435 WeakPolarHBondContact CH2-OE2 3.33Å; W426-E435 WeakPolarHBondContact CZ2-OE2 3.27Å; E435-K591 WeakPolarHBondContact OE1-CD 3.34Å; E435-K591 WeakPolarHBondContact OE1-CE 3.26Å; E435-K591 IonicContact OE1-NZ 3.55Å; E435-K591 PolarHBondContact OE1-NZ 2.9Å; E435-K591 IonicContact OE2-NZ 3.36Å; E435-M592 WeakPolarHBondContact O-CE 3.45Å
436R71Confident58.2Low105 Ų10570.1 Ų70.140%0.39640%0.403SS..  trans-80141.3146.1-53.7-172.277.191.53109.1P432 D451 M452 E456P432-R436 WeakPolarHBondContact O-CD 3.32Å; R436-D451 HydrophobicContact CB-CB 4.01Å; R436-D451 PolarHBondContact NE-O 2.66Å; R436-D451 PolarHBondContact NH2-O 2.93Å; R436-M452 CarbonylContact C-O 3.21Å; R436-M452 WeakPolarHBondContact CA-O 3.45Å; R436-E456 IonicContact CZ-OE1 3.02Å; R436-E456 IonicContact CZ-OE2 3.58Å; R436-E456 IonicContact NH1-OE1 3.66Å; R436-E456 PolarHBondContact NH1-OE1 2.96Å; R436-E456 IonicContact NH1-OE2 3.6Å; R436-E456 VanDerWaalsContact NH2-CD 3.29Å; R436-E456 IonicContact NH2-OE1 3.15Å; R436-E456 PolarHBondContact NH2-OE1 3.45Å; R436-E456 IonicContact NH2-OE2 2.7Å; R436-E456 PolarHBondContact NH2-OE2 3.01Å
437V73.9Confident60Low4 Ų470.5 Ų70.52%0.02442%0.416CS..EExtended strand (participates in β ladder)trans-123.6131177.6167.90000109.6A439 M452 F582 N589 M592V437-A439 PolarHBondContact O-N 3.28Å; V437-A439 VanDerWaalsContact O-N 3.09Å; V437-M452 PolarHBondContact N-O 3.3Å; V437-M452 PolarHBondContact O-N 3.13Å; V437-F582 HydrophobicContact CG1-CB 4.5Å; V437-F582 HydrophobicContact CG1-CD2 4.33Å; V437-N589 HydrophobicContact CG1-CB 4.41Å; V437-M592 HydrophobicContact CB-CE 3.99Å; V437-M592 HydrophobicContact CB-CG 4.16Å; V437-M592 HydrophobicContact CG2-CB 3.8Å; V437-M592 HydrophobicContact CG2-CE 3.72Å; V437-M592 HydrophobicContact CG2-CG 3.9Å
438S76.8Confident62.3Low48 Ų4873.8 Ų73.834%0.33643%0.429SS..EExtended strand (participates in β ladder)trans-65110.7177.7740000111.3K449 D451S438-K449 VanDerWaalsContact CB-CE 3.47Å; S438-D451 WeakPolarHBondContact CA-OD1 3.38Å; S438-D451 WeakPolarHBondContact CB-OD1 3.44Å; S438-D451 PolarHBondContact N-OD1 3.1Å; S438-D451 VanDerWaalsContact N-OD1 3.09Å
439A81Confident64.7Low0 Ų075.5 Ų75.50%044%0.435CS..EExtended strand (participates in β ladder)trans-112.9156.8173.500000110.5V437 K449 A450 M452 P580 H581 F582V437-A439 PolarHBondContact O-N 3.28Å; V437-A439 VanDerWaalsContact O-N 3.09Å; A439-K449 CarbonylContact O-C 3.35Å; A439-K449 WeakPolarHBondContact O-CA 3.15Å; A439-A450 PolarHBondContact N-O 2.91Å; A439-A450 PolarHBondContact O-N 2.89Å; A439-A450 VanDerWaalsContact O-O 3.1Å; A439-M452 HydrophobicContact CB-CG 4.29Å; A439-M452 HydrophobicContact CB-SD 4.14Å; A439-P580 HydrophobicContact CB-CB 3.98Å; A439-H581 CarbonylContact C-O 3.6Å; A439-H581 WeakPolarHBondContact CA-O 3.33Å; A439-F582 HydrophobicContact CB-CB 4.27Å
440I82.5Confident67.2Low61 Ų6174.1 Ų74.131%0.31343%0.428SS..EExtended strand (participates in β ladder)trans-97.2110172.3-60.7171.6000107W442 C447 P580 H581I440-W442 HydrophobicContact CG2-CH2 4.32Å; I440-W442 HydrophobicContact CG2-CZ2 4.18Å; I440-C447 HydrophobicContact CG2-CB 3.78Å; I440-P580 CarbonylContact O-C 3.52Å; I440-P580 WeakPolarHBondContact O-CA 3.35Å; I440-H581 HydrophobicContact CB-CB 4.37Å; I440-H581 PolarHBondContact N-O 3.27Å; I440-H581 PolarHBondContact O-N 3.3Å
441V82.9Confident69.4Low24 Ų2475.7 Ų75.715%0.14543%0.432CS..EExtended strand (participates in β ladder)trans-85.2141.8171.4177.20000108.4K448 A450 M452 M460 P580V441-K448 PolarHBondContact N-O 3.26Å; V441-K448 PolarHBondContact O-N 3.44Å; V441-A450 HydrophobicContact CG2-CB 4.27Å; V441-M452 HydrophobicContact CG2-CE 4.48Å; V441-M452 HydrophobicContact CG2-SD 3.58Å; V441-M452 VanDerWaalsContact CG2-SD 3.58Å; V441-M460 HydrophobicContact CG1-CE 4.14Å; V441-P580 HydrophobicContact CG2-CB 4.39Å
442W80.2Confident71.7Confident41 Ų4172.1 Ų72.116%0.15541%0.412CS..EExtended strand (participates in β ladder)trans-102.5125.3173.6-49.896.2000107.9I440 C447 R575 V579 H581I440-W442 HydrophobicContact CG2-CH2 4.32Å; I440-W442 HydrophobicContact CG2-CZ2 4.18Å; W442-C447 HydrophobicContact CE3-CB 3.71Å; W442-C447 HydrophobicContact CH2-CB 4.31Å; W442-C447 HydrophobicContact CZ3-CB 3.52Å; W442-R575 HydrophobicContact CD2-CB 3.99Å; W442-R575 HydrophobicContact CD2-CG 4.03Å; W442-R575 HydrophobicContact CE3-CB 4.23Å; W442-R575 HydrophobicContact CE3-CG 3.9Å; W442-R575 HydrophobicContact CH2-CB 4.27Å; W442-R575 HydrophobicContact CZ2-CB 4.03Å; W442-R575 HydrophobicContact CZ3-CB 4.35Å; W442-R575 HydrophobicContact CZ3-CG 4.17Å; W442-V579 VanDerWaalsContact CD1-O 3.27Å; W442-V579 PolarHBondContact NE1-O 2.88Å; W442-H581 HydrophobicContact CZ2-CB 4.47Å
443E78.9Confident74Confident112 Ų11268.1 Ų68.152%0.52339%0.387SS..EExtended strand (participates in β ladder)trans-131.196.6-178.5-168.9166.8-126.700107.9N445 D446 K448E443-N445 PolarHBondContact O-N 2.89Å; E443-D446 PolarHBondContact N-O 2.99Å; E443-D446 PolarHBondContact O-N 2.82Å; E443-D446 VanDerWaalsContact O-N 3.15Å; E443-K448 WeakPolarHBondContact OE2-CD 3.48Å; E443-K448 WeakPolarHBondContact OE2-CE 3.33Å; E443-K448 IonicContact OE2-NZ 2.89Å; E443-K448 PolarHBondContact OE2-NZ 3.48Å
444G74.3Confident76.1Confident78 Ų7866.2 Ų66.280%0.80436%0.362SS*.THydrogen-bonded Turntrans61-121.8-164.600000111.1
445N71.2Confident77.8Confident129 Ų12963.5 Ų63.569%0.6935%0.348SS*.THydrogen-bonded Turntrans-88.8-14.6178.5-144.712000113.2E443 R575E443-N445 PolarHBondContact O-N 2.89Å; N445-R575 PolarHBondContact OD1-NH2 2.73Å
446D72.7Confident78.9Confident100 Ų10065.7 Ų65.754%0.53536%0.358SS..EExtended strand (participates in β ladder)trans-81.9152.7-176.4-73.7-23.1000112.9E443E443-D446 PolarHBondContact N-O 2.99Å; E443-D446 PolarHBondContact O-N 2.82Å; E443-D446 VanDerWaalsContact O-N 3.15Å
447C75.6Confident79.6Confident86 Ų8660.7 Ų60.758%0.58134%0.339SS*.EExtended strand (participates in β ladder)trans-117109.4171.8680000111.3I440 W442I440-C447 HydrophobicContact CG2-CB 3.78Å; W442-C447 HydrophobicContact CE3-CB 3.71Å; W442-C447 HydrophobicContact CH2-CB 4.31Å; W442-C447 HydrophobicContact CZ3-CB 3.52Å
448K82.3Confident80Confident105 Ų10560.5 Ų60.546%0.45734%0.338SS..EExtended strand (participates in β ladder)trans-106.6128-177.5-66.4178.6-173.8171.40109.8V441 E443V441-K448 PolarHBondContact N-O 3.26Å; V441-K448 PolarHBondContact O-N 3.44Å; E443-K448 WeakPolarHBondContact OE2-CD 3.48Å; E443-K448 WeakPolarHBondContact OE2-CE 3.33Å; E443-K448 IonicContact OE2-NZ 2.89Å; E443-K448 PolarHBondContact OE2-NZ 3.48Å
449K84.6Confident80.4Confident158 Ų15859.5 Ų59.569%0.68734%0.335SS*.EExtended strand (participates in β ladder)trans-87.1113.5177.1-176.9-169167.7-157.70109.2S438 A439S438-K449 VanDerWaalsContact CB-CE 3.47Å; A439-K449 CarbonylContact O-C 3.35Å; A439-K449 WeakPolarHBondContact O-CA 3.15Å
450A83.3Confident80.5Confident40 Ų4061.8 Ų61.833%0.33135%0.347SS..EExtended strand (participates in β ladder)trans-122.7140.8179.300000110.7A439 V441 M452A439-A450 PolarHBondContact N-O 2.91Å; A439-A450 PolarHBondContact O-N 2.89Å; A439-A450 VanDerWaalsContact O-O 3.1Å; V441-A450 HydrophobicContact CG2-CB 4.27Å; A450-M452 HydrophobicContact CB-CG 4.24Å; A450-M452 PolarHBondContact O-N 2.83Å
451D82.5Confident80.6Confident92 Ų9258.9 Ų58.949%0.49233%0.332SS..EExtended strand (participates in β ladder)trans-81.1114.8171.1-74.6-43.7000109.5R436 S438R436-D451 HydrophobicContact CB-CB 4.01Å; R436-D451 PolarHBondContact NE-O 2.66Å; R436-D451 PolarHBondContact NH2-O 2.93Å; S438-D451 WeakPolarHBondContact CA-OD1 3.38Å; S438-D451 WeakPolarHBondContact CB-OD1 3.44Å; S438-D451 PolarHBondContact N-OD1 3.1Å; S438-D451 VanDerWaalsContact N-OD1 3.09Å
452M79.7Confident80.6Confident17 Ų1759.5 Ų59.58%0.08433%0.333CS..EExtended strand (participates in β ladder)trans-120146-171.3-55.4-167.375.400112.7R436 V437 A439 V441 A450 E456 I457 M460 P580R436-M452 CarbonylContact C-O 3.21Å; R436-M452 WeakPolarHBondContact CA-O 3.45Å; V437-M452 PolarHBondContact N-O 3.3Å; V437-M452 PolarHBondContact O-N 3.13Å; A439-M452 HydrophobicContact CB-CG 4.29Å; A439-M452 HydrophobicContact CB-SD 4.14Å; V441-M452 HydrophobicContact CG2-CE 4.48Å; V441-M452 HydrophobicContact CG2-SD 3.58Å; V441-M452 VanDerWaalsContact CG2-SD 3.58Å; A450-M452 HydrophobicContact CB-CG 4.24Å; A450-M452 PolarHBondContact O-N 2.83Å; M452-E456 HydrophobicContact CE-CB 3.78Å; M452-I457 HydrophobicContact CB-CD1 4.02Å; M452-I457 HydrophobicContact CB-CG1 3.76Å; M452-I457 HydrophobicContact CE-CG1 4.28Å; M452-I457 HydrophobicContact SD-CG1 4.09Å; M452-M460 HydrophobicContact CE-CG 4.45Å; M452-M460 HydrophobicContact CE-SD 3.69Å; M452-M460 HydrophobicContact SD-SD 4.35Å; M452-P580 HydrophobicContact SD-CB 3.92Å; M452-P580 HydrophobicContact SD-CG 4.31Å
453S82.5Confident80.8Confident29 Ų2962 Ų6220%0.20335%0.35CS..  trans-87.7165.2172.266.10000112.4L455 E456 I457S453-L455 PolarHBondContact O-N 3.33Å; S453-E456 VanDerWaalsContact CB-OE2 3.25Å; S453-E456 WeakPolarHBondContact CB-OE2 3.48Å; S453-E456 PolarHBondContact N-OE2 2.92Å; S453-E456 PolarHBondContact O-N 2.93Å; S453-E456 WeakPolarHBondContact OG-CG 3.18Å; S453-E456 PolarHBondContact OG-N 3.25Å; S453-E456 PolarHBondContact OG-OE2 3.21Å; S453-I457 WeakPolarHBondContact O-CG1 3.48Å; S453-I457 PolarHBondContact O-N 3.49Å; S453-I457 VanDerWaalsContact O-N 3.13Å
454V79.7Confident81.1Confident25 Ų2560.2 Ų60.215%0.15234%0.339CS..Hα-helixtrans-51.2-42.5174.2-1720000111.1S458 M592 L596V454-S458 VanDerWaalsContact O-CB 3.32Å; V454-S458 WeakPolarHBondContact O-CB 3.36Å; V454-S458 PolarHBondContact O-N 2.8Å; V454-S458 PolarHBondContact O-OG 3.47Å; V454-M592 HydrophobicContact CB-SD 4.08Å; V454-M592 HydrophobicContact CG2-CE 3.9Å; V454-M592 HydrophobicContact CG2-SD 3.48Å; V454-M592 WeakPolarHBondContact CG2-SD 3.5Å; V454-L596 HydrophobicContact CG1-CB 4.21Å; V454-L596 HydrophobicContact CG1-CD1 4.16Å
455L78.6Confident81.7Confident48 Ų4856.8 Ų56.825%0.25130%0.302SS..Hα-helixtrans-71.6-48.3-175.1-65.1-176.4000111.8V28 S453 I457 S458 G459 Y599V28-L455 HydrophobicContact CG1-CD2 3.66Å; S453-L455 PolarHBondContact O-N 3.33Å; L455-I457 VanDerWaalsContact C-N 3.33Å; L455-I457 PolarHBondContact O-N 2.98Å; L455-S458 CarbonylContact O-C 3.59Å; L455-S458 PolarHBondContact O-N 3.31Å; L455-S458 VanDerWaalsContact O-N 3.12Å; L455-S458 PolarHBondContact O-OG 3.5Å; L455-G459 PolarHBondContact O-N 2.84Å; L455-Y599 HydrophobicContact CD2-CE2 4.47Å
456E83.7Confident82.1Confident78 Ų7855.5 Ų55.536%0.36430%0.295SS..Hα-helixtrans-58.6-44.5177.6-68152.5147.400111.2R436 M452 S453 S458 G459 M460R436-E456 IonicContact CZ-OE1 3.02Å; R436-E456 IonicContact CZ-OE2 3.58Å; R436-E456 IonicContact NH1-OE1 3.66Å; R436-E456 PolarHBondContact NH1-OE1 2.96Å; R436-E456 IonicContact NH1-OE2 3.6Å; R436-E456 VanDerWaalsContact NH2-CD 3.29Å; R436-E456 IonicContact NH2-OE1 3.15Å; R436-E456 PolarHBondContact NH2-OE1 3.45Å; R436-E456 IonicContact NH2-OE2 2.7Å; R436-E456 PolarHBondContact NH2-OE2 3.01Å; M452-E456 HydrophobicContact CE-CB 3.78Å; S453-E456 VanDerWaalsContact CB-OE2 3.25Å; S453-E456 WeakPolarHBondContact CB-OE2 3.48Å; S453-E456 PolarHBondContact N-OE2 2.92Å; S453-E456 PolarHBondContact O-N 2.93Å; S453-E456 WeakPolarHBondContact OG-CG 3.18Å; S453-E456 PolarHBondContact OG-N 3.25Å; S453-E456 PolarHBondContact OG-OE2 3.21Å; E456-S458 PolarHBondContact O-N 3.19Å; E456-G459 PolarHBondContact O-N 2.97Å; E456-M460 PolarHBondContact O-N 3.47Å
457I84.8Confident82.4Confident0 Ų056.1 Ų56.10%030%0.298CS..Hα-helixtrans-61-45.9174.9-65.7169.9000110.8M452 S453 L455 G459 M460 I461 L568 P580 F582 M592 L596M452-I457 HydrophobicContact CB-CD1 4.02Å; M452-I457 HydrophobicContact CB-CG1 3.76Å; M452-I457 HydrophobicContact CE-CG1 4.28Å; M452-I457 HydrophobicContact SD-CG1 4.09Å; S453-I457 WeakPolarHBondContact O-CG1 3.48Å; S453-I457 PolarHBondContact O-N 3.49Å; S453-I457 VanDerWaalsContact O-N 3.13Å; L455-I457 VanDerWaalsContact C-N 3.33Å; L455-I457 PolarHBondContact O-N 2.98Å; I457-G459 VanDerWaalsContact C-N 3.31Å; I457-G459 PolarHBondContact O-N 3.39Å; I457-M460 PolarHBondContact O-N 3.2Å; I457-I461 HydrophobicContact CG2-CD1 3.94Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.46Å; I457-I461 PolarHBondContact O-N 3.16Å; I457-I461 VanDerWaalsContact O-N 3.1Å; I457-L568 HydrophobicContact CG2-CD1 4.49Å; I457-L568 HydrophobicContact CG2-CD2 4.44Å; I457-P580 HydrophobicContact CB-CG 4.42Å; I457-P580 HydrophobicContact CG1-CG 4.17Å; I457-P580 HydrophobicContact CG2-CG 3.96Å; I457-F582 HydrophobicContact CD1-CE1 4.41Å; I457-M592 HydrophobicContact CD1-SD 4.09Å; I457-L596 HydrophobicContact CB-CD2 4.49Å; I457-L596 HydrophobicContact CG2-CD1 4.37Å; I457-L596 HydrophobicContact CG2-CD2 3.56Å
458S83.1Confident82.5Confident0 Ų058.3 Ų58.30%030%0.295CS..Hα-helixtrans-68.2-29.6-179.780.20000113.7V454 L455 E456 I461 M462 Y599V454-S458 VanDerWaalsContact O-CB 3.32Å; V454-S458 WeakPolarHBondContact O-CB 3.36Å; V454-S458 PolarHBondContact O-N 2.8Å; V454-S458 PolarHBondContact O-OG 3.47Å; L455-S458 CarbonylContact O-C 3.59Å; L455-S458 PolarHBondContact O-N 3.31Å; L455-S458 VanDerWaalsContact O-N 3.12Å; L455-S458 PolarHBondContact O-OG 3.5Å; E456-S458 PolarHBondContact O-N 3.19Å; S458-I461 PolarHBondContact O-N 2.99Å; S458-M462 WeakPolarHBondContact O-CB 3.4Å; S458-M462 PolarHBondContact O-N 3.36Å; S458-Y599 WeakPolarHBondContact OG-CE1 3.44Å
459G83.4Confident81.9Confident27 Ų2757.9 Ų57.928%0.27831%0.305SS..Hα-helixtrans-69.4-42.8174.100000111.9L455 E456 I457 I461 M462 N463L455-G459 PolarHBondContact O-N 2.84Å; E456-G459 PolarHBondContact O-N 2.97Å; I457-G459 VanDerWaalsContact C-N 3.31Å; I457-G459 PolarHBondContact O-N 3.39Å; G459-I461 VanDerWaalsContact C-N 3.34Å; G459-I461 PolarHBondContact O-N 3.49Å; G459-M462 PolarHBondContact O-N 3.3Å; G459-N463 PolarHBondContact O-N 3.35Å
460M83.6Confident81.3Confident48 Ų4852 Ų5224%0.23628%0.282CS..Hα-helixtrans-58.1-46.6170.7-72.1-170.777.800111.6V441 M452 E456 I457 M462 N463 R464 P580V441-M460 HydrophobicContact CG1-CE 4.14Å; M452-M460 HydrophobicContact CE-CG 4.45Å; M452-M460 HydrophobicContact CE-SD 3.69Å; M452-M460 HydrophobicContact SD-SD 4.35Å; E456-M460 PolarHBondContact O-N 3.47Å; I457-M460 PolarHBondContact O-N 3.2Å; M460-M462 PolarHBondContact O-N 2.7Å; M460-N463 PolarHBondContact O-N 2.99Å; M460-R464 WeakPolarHBondContact O-CG 3.37Å; M460-R464 PolarHBondContact O-N 3.4Å; M460-R464 VanDerWaalsContact O-N 3.07Å; M460-P580 HydrophobicContact SD-CB 4.44Å; M460-P580 HydrophobicContact SD-CG 3.95Å
461I86.1Confident80.9Confident0 Ų052.2 Ų52.20%029%0.289CS..Hα-helixtrans-62.3-43.6177.8-63.8164.5000110.6I457 S458 G459 N463 R464 V465 F561 L564 L568 V579 L596 L600I457-I461 HydrophobicContact CG2-CD1 3.94Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.46Å; I457-I461 PolarHBondContact O-N 3.16Å; I457-I461 VanDerWaalsContact O-N 3.1Å; S458-I461 PolarHBondContact O-N 2.99Å; G459-I461 VanDerWaalsContact C-N 3.34Å; G459-I461 PolarHBondContact O-N 3.49Å; I461-N463 VanDerWaalsContact C-N 3.35Å; I461-N463 PolarHBondContact O-N 2.94Å; I461-R464 PolarHBondContact O-N 3.21Å; I461-V465 HydrophobicContact CG2-CG2 4.47Å; I461-V465 WeakPolarHBondContact O-CG2 3.38Å; I461-V465 PolarHBondContact O-N 3.23Å; I461-F561 HydrophobicContact CG2-CD1 3.81Å; I461-F561 HydrophobicContact CG2-CE1 4.19Å; I461-L564 HydrophobicContact CG2-CB 4.08Å; I461-L564 HydrophobicContact CG2-CD1 4.07Å; I461-L568 HydrophobicContact CD1-CD1 3.92Å; I461-L568 HydrophobicContact CD1-CD2 4.02Å; I461-L568 HydrophobicContact CD1-CG 4.45Å; I461-L568 HydrophobicContact CG1-CD2 4.41Å; I461-V579 HydrophobicContact CG1-CG1 4.43Å; I461-L596 HydrophobicContact CD1-CD2 4.41Å; I461-L600 HydrophobicContact CD1-CD1 3.89Å
462M82.1Confident80.9Confident36 Ų3650.1 Ų50.118%0.17728%0.277CS..Hα-helixtrans-58.3-44.3175.5175.659.278.300111.7S458 G459 M460 R464 V465 N466 F561 R603S458-M462 WeakPolarHBondContact O-CB 3.4Å; S458-M462 PolarHBondContact O-N 3.36Å; G459-M462 PolarHBondContact O-N 3.3Å; M460-M462 PolarHBondContact O-N 2.7Å; M462-R464 PolarHBondContact O-N 3.43Å; M462-V465 PolarHBondContact O-N 3.35Å; M462-N466 VanDerWaalsContact O-CG 3.24Å; M462-N466 PolarHBondContact O-N 3.39Å; M462-N466 PolarHBondContact O-ND2 2.77Å; M462-N466 PolarHBondContact SD-ND2 2.95Å; M462-F561 HydrophobicContact CE-CE1 4.28Å; M462-F561 HydrophobicContact CE-CZ 3.67Å; M462-F561 HydrophobicContact SD-CE1 4.48Å; M462-F561 HydrophobicContact SD-CZ 3.94Å; M462-R603 HydrophobicContact CE-CG 4.46Å; M462-R603 VanDerWaalsContact CE-NE 3.27Å
463N84.1Confident81.3Confident95 Ų9551.7 Ų51.751%0.50830%0.298SS..Hα-helixtrans-60.9-46.5176.9-164.623.7000111.4G459 M460 I461 V465 N466 L467G459-N463 PolarHBondContact O-N 3.35Å; M460-N463 PolarHBondContact O-N 2.99Å; I461-N463 VanDerWaalsContact C-N 3.35Å; I461-N463 PolarHBondContact O-N 2.94Å; N463-V465 VanDerWaalsContact C-N 3.31Å; N463-V465 PolarHBondContact O-N 3.24Å; N463-N466 PolarHBondContact O-N 3Å; N463-N466 VanDerWaalsContact O-N 3.14Å; N463-L467 WeakPolarHBondContact O-CG 3.33Å; N463-L467 PolarHBondContact O-N 3.03Å
464R86.4Confident81.6Confident74 Ų7453.3 Ų53.328%0.27930%0.3SS..Hα-helixtrans-62.7-33.4176.1-62.8-64174-178.9-3.1113.3M460 I461 M462 Y468 L564 E578 V579M460-R464 WeakPolarHBondContact O-CG 3.37Å; M460-R464 PolarHBondContact O-N 3.4Å; M460-R464 VanDerWaalsContact O-N 3.07Å; I461-R464 PolarHBondContact O-N 3.21Å; M462-R464 PolarHBondContact O-N 3.43Å; R464-Y468 PolarHBondContact O-N 2.89Å; R464-L564 HydrophobicContact CB-CD1 4.19Å; R464-E578 IonicContact CZ-OE2 2.83Å; R464-E578 PolarHBondContact NE-O 2.96Å; R464-E578 IonicContact NH1-OE1 3.83Å; R464-E578 IonicContact NH1-OE2 2.69Å; R464-E578 PolarHBondContact NH1-OE2 2.84Å; R464-E578 IonicContact NH2-OE2 2.96Å; R464-E578 PolarHBondContact NH2-OE2 3.07Å; R464-V579 HydrophobicContact CG-CG1 4.24Å
465V84.9Confident82.1Confident6 Ų652.4 Ų52.44%0.03629%0.294CS..Hα-helixtrans-71.1-37.1173.3171.50000112.2I461 M462 N463 Y468 Q557 L560 F561 L564I461-V465 HydrophobicContact CG2-CG2 4.47Å; I461-V465 WeakPolarHBondContact O-CG2 3.38Å; I461-V465 PolarHBondContact O-N 3.23Å; M462-V465 PolarHBondContact O-N 3.35Å; N463-V465 VanDerWaalsContact C-N 3.31Å; N463-V465 PolarHBondContact O-N 3.24Å; V465-Y468 PolarHBondContact O-N 2.97Å; V465-Q557 HydrophobicContact CG1-CG 3.41Å; V465-Q557 VanDerWaalsContact CG1-CG 3.41Å; V465-L560 HydrophobicContact CG2-CB 4.3Å; V465-F561 HydrophobicContact CB-CE1 4.04Å; V465-F561 HydrophobicContact CB-CZ 4.06Å; V465-F561 HydrophobicContact CG1-CE1 4.27Å; V465-F561 HydrophobicContact CG1-CE2 4Å; V465-F561 HydrophobicContact CG1-CZ 3.82Å; V465-F561 HydrophobicContact CG2-CD1 3.74Å; V465-F561 HydrophobicContact CG2-CE1 3.66Å; V465-F561 HydrophobicContact CG2-CG 4.22Å; V465-F561 HydrophobicContact CG2-CZ 4.08Å; V465-L564 HydrophobicContact CG2-CD1 3.5Å
466N80.1Confident82.7Confident102 Ų10254.3 Ų54.355%0.54531%0.307SS..Hα-helixtrans-73.4-30.8178.9-68.1-22.6000112.9M462 N463 Y468M462-N466 VanDerWaalsContact O-CG 3.24Å; M462-N466 PolarHBondContact O-N 3.39Å; M462-N466 PolarHBondContact O-ND2 2.77Å; M462-N466 PolarHBondContact SD-ND2 2.95Å; N463-N466 PolarHBondContact O-N 3Å; N463-N466 VanDerWaalsContact O-N 3.14Å; N466-Y468 VanDerWaalsContact C-N 3.3Å
467L78.6Confident83.2Confident112 Ų11253.5 Ų53.559%0.58630%0.303SS*.Hα-helixtrans-70.6-24.1172.5-70.3166.7000112.8N463 S469N463-L467 WeakPolarHBondContact O-CG 3.33Å; N463-L467 PolarHBondContact O-N 3.03Å; L467-S469 PolarHBondContact O-N 3.46Å
468Y78.8Confident83.6Confident133 Ų13353.5 Ų53.552%0.52230%0.303SS..  trans-76.5107.8179.6-175.4-89.2000111.6R464 V465 N466 P470 L560R464-Y468 PolarHBondContact O-N 2.89Å; V465-Y468 PolarHBondContact O-N 2.97Å; N466-Y468 VanDerWaalsContact C-N 3.3Å; Y468-P470 VanDerWaalsContact O-CD 3.25Å; Y468-P470 WeakPolarHBondContact O-CD 3.25Å; Y468-L560 HydrophobicContact CD1-CD1 3.29Å; Y468-L560 HydrophobicContact CD1-CD2 4.08Å; Y468-L560 HydrophobicContact CD1-CG 4.33Å; Y468-L560 HydrophobicContact CD2-CD2 4.43Å; Y468-L560 HydrophobicContact CE1-CD1 3.68Å; Y468-L560 HydrophobicContact CE1-CD2 4.09Å; Y468-L560 HydrophobicContact CE1-CG 4.49Å; Y468-L560 HydrophobicContact CE2-CD2 4.45Å; Y468-L560 HydrophobicContact CG-CD1 3.98Å; Y468-L560 HydrophobicContact CG-CD2 4.24Å
469S69.3Low84Confident95 Ų9555.9 Ų55.966%0.66432%0.316SS*.  trans-74.9113.6173.5-79.80000112L467L467-S469 PolarHBondContact O-N 3.46Å
470P72.7Confident84.5Confident34 Ų3459.7 Ų59.722%0.22133%0.329CS..  trans-74.2139.117830.4-34.5000112.2Y468 R553 K556Y468-P470 VanDerWaalsContact O-CD 3.25Å; Y468-P470 WeakPolarHBondContact O-CD 3.25Å; P470-R553 HydrophobicContact CG-CG 4.47Å; P470-K556 HydrophobicContact CB-CD 4.09Å
471G74.1Confident85.1Confident46 Ų4657.9 Ų57.947%0.47432%0.321SS..  trans-60.5140.3176.200000113.5G473 K556G471-G473 PolarHBondContact O-N 3.27Å; G471-K556 PolarHBondContact O-NZ 3.43Å
472I83.1Confident85.5Confident47 Ų4758 Ų5824%0.24132%0.322CS..  trans-80-12.5-166.9-32.2175000113.4A2 K6 Y474 Q475 V476A2-I472 HydrophobicContact CB-CD1 4.37Å; K6-I472 HydrophobicContact CG-CD1 4.5Å; I472-Y474 PolarHBondContact O-N 3.5Å; I472-Y474 VanDerWaalsContact O-N 3.11Å; I472-Q475 HydrophobicContact CG2-CB 4.14Å; I472-Q475 WeakPolarHBondContact O-CA 3.41Å; I472-Q475 WeakPolarHBondContact O-CB 3.42Å; I472-Q475 PolarHBondContact O-N 3.32Å; I472-V476 HydrophobicContact CB-CG2 4.3Å; I472-V476 HydrophobicContact CG2-CG2 4.06Å; I472-V476 PolarHBondContact O-N 3.23Å
473G86.9Confident85.9Confident50 Ų5059.8 Ų59.852%0.51534%0.335SS..Hα-helixtrans-42.7-53.1-165.300000116.5G471 Q475 V476 F477G471-G473 PolarHBondContact O-N 3.27Å; G473-Q475 VanDerWaalsContact C-N 3.26Å; G473-Q475 PolarHBondContact O-N 3.07Å; G473-V476 PolarHBondContact O-N 3.41Å; G473-V476 VanDerWaalsContact O-N 3.11Å; G473-F477 WeakPolarHBondContact O-CB 3.22Å; G473-F477 PolarHBondContact O-N 3.08Å
474Y89.6Confident86.3Confident63 Ų6358.2 Ų58.225%0.24733%0.328CS..Hα-helixtrans-64.5-25.3179.7-81.3-86.6000114.5I472 G478 E552 F657 R660I472-Y474 PolarHBondContact O-N 3.5Å; I472-Y474 VanDerWaalsContact O-N 3.11Å; Y474-G478 PolarHBondContact O-N 3.1Å; Y474-E552 HydrophobicContact CD1-CG 4.44Å; Y474-E552 HydrophobicContact CD2-CG 4.1Å; Y474-E552 VanDerWaalsContact CD2-OE1 3.3Å; Y474-E552 WeakPolarHBondContact CD2-OE1 3.32Å; Y474-E552 HydrophobicContact CG-CG 3.93Å; Y474-F657 HydrophobicContact CD1-CD1 4.2Å; Y474-F657 AromaticContact CD1-CE1 3.91Å; Y474-F657 HydrophobicContact CD1-CE1 3.91Å; Y474-F657 HydrophobicContact CD1-CZ 4.23Å; Y474-F657 HydrophobicContact CG-CE1 4.48Å; Y474-F657 WeakPolarHBondContact O-CZ 3.38Å; Y474-R660 HydrophobicContact CD1-CG 4.34Å; Y474-R660 HydrophobicContact CD2-CG 4.47Å; Y474-R660 HydrophobicContact CE1-CB 3.89Å; Y474-R660 HydrophobicContact CE1-CG 3.76Å; Y474-R660 HydrophobicContact CE2-CG 3.92Å; Y474-R660 VanDerWaalsContact CE2-NE 3.31Å; Y474-R660 WeakPolarHBondContact OH-CD 3.45Å
475Q89.8Confident86.6Confident7 Ų754.7 Ų54.73%0.03332%0.315CS..Hα-helixtrans-80.1-33173.7-175.6-178.86.200112V5 I472 G473 N479 S549V5-Q475 PolarHBondContact O-NE2 2.79Å; I472-Q475 HydrophobicContact CG2-CB 4.14Å; I472-Q475 WeakPolarHBondContact O-CA 3.41Å; I472-Q475 WeakPolarHBondContact O-CB 3.42Å; I472-Q475 PolarHBondContact O-N 3.32Å; G473-Q475 VanDerWaalsContact C-N 3.26Å; G473-Q475 PolarHBondContact O-N 3.07Å; Q475-N479 WeakPolarHBondContact O-CB 3.47Å; Q475-N479 PolarHBondContact O-N 2.93Å; Q475-N479 PolarHBondContact O-OD1 2.97Å; Q475-S549 WeakPolarHBondContact CA-OG 3.41Å
476V92.1Very high86.9Confident87 Ų8754.4 Ų54.453%0.52731%0.313SS..Hα-helixtrans-66.7-43.5170-1780000109.8I472 G473 N479 L480I472-V476 HydrophobicContact CB-CG2 4.3Å; I472-V476 HydrophobicContact CG2-CG2 4.06Å; I472-V476 PolarHBondContact O-N 3.23Å; G473-V476 PolarHBondContact O-N 3.41Å; G473-V476 VanDerWaalsContact O-N 3.11Å; V476-N479 PolarHBondContact O-N 3.13Å; V476-L480 WeakPolarHBondContact O-CB 3.38Å; V476-L480 PolarHBondContact O-N 3.07Å
477F93.3Very high87.3Confident61 Ų6153 Ų5327%0.26831%0.305SS..Hα-helixtrans-59.7-47.6173.5176.5-108.1000112.4G473 N479 L480 V481 L656 F657G473-F477 WeakPolarHBondContact O-CB 3.22Å; G473-F477 PolarHBondContact O-N 3.08Å; F477-N479 PolarHBondContact O-N 3.48Å; F477-L480 PolarHBondContact O-N 3.39Å; F477-V481 HydrophobicContact CD2-CG2 4.2Å; F477-V481 HydrophobicContact CE1-CG2 4.17Å; F477-V481 HydrophobicContact CE2-CG2 3.79Å; F477-V481 HydrophobicContact CZ-CG2 3.76Å; F477-V481 WeakPolarHBondContact O-CG2 3.34Å; F477-V481 PolarHBondContact O-N 2.94Å; F477-L656 HydrophobicContact CE1-CB 4.34Å; F477-L656 HydrophobicContact CE1-CD1 4.43Å; F477-L656 HydrophobicContact CE2-CD1 4.27Å; F477-L656 HydrophobicContact CZ-CB 4.36Å; F477-L656 HydrophobicContact CZ-CD1 3.66Å; F477-F657 HydrophobicContact CD1-CD2 4.28Å; F477-F657 AromaticContact CD1-CE2 3.56Å; F477-F657 HydrophobicContact CD1-CE2 3.56Å; F477-F657 HydrophobicContact CD1-CZ 4.08Å; F477-F657 AromaticContact CE1-CD2 3.99Å; F477-F657 HydrophobicContact CE1-CD2 3.99Å; F477-F657 AromaticContact CE1-CE2 3.68Å; F477-F657 HydrophobicContact CE1-CE2 3.68Å
478G93.1Very high87.8Confident0 Ų048.4 Ų48.40%028%0.282CS..Hα-helixtrans-61.2-40.817600000113.4Y474 S482Y474-G478 PolarHBondContact O-N 3.1Å; G478-S482 WeakPolarHBondContact O-CB 3.41Å; G478-S482 PolarHBondContact O-N 2.96Å; G478-S482 PolarHBondContact O-OG 2.7Å
479N92.5Very high88.2Confident51 Ų5142.1 Ų42.127%0.27326%0.257SS..Hα-helixtrans-62.2-47.7172.3-73-4.5000111.4Q475 V476 F477 S482 V483 W542Q475-N479 WeakPolarHBondContact O-CB 3.47Å; Q475-N479 PolarHBondContact O-N 2.93Å; Q475-N479 PolarHBondContact O-OD1 2.97Å; V476-N479 PolarHBondContact O-N 3.13Å; F477-N479 PolarHBondContact O-N 3.48Å; N479-S482 PolarHBondContact O-N 3.1Å; N479-S482 PolarHBondContact O-OG 3.29Å; N479-V483 PolarHBondContact O-N 3.5Å; N479-V483 VanDerWaalsContact O-N 3.11Å; N479-W542 PolarHBondContact OD1-NE1 3.45Å
480L94.6Very high88.9Confident106 Ų10638.4 Ų38.456%0.55523%0.229SC*.Hα-helixtrans-57.6-52.4179.5177.562.1000111.1V476 F477 S482 V483 T484V476-L480 WeakPolarHBondContact O-CB 3.38Å; V476-L480 PolarHBondContact O-N 3.07Å; F477-L480 PolarHBondContact O-N 3.39Å; L480-S482 VanDerWaalsContact C-N 3.26Å; L480-S482 PolarHBondContact O-N 2.68Å; L480-V483 PolarHBondContact O-N 3.39Å; L480-T484 PolarHBondContact O-N 3.43Å; L480-T484 PolarHBondContact O-OG1 3.19Å; L480-T484 VanDerWaalsContact O-OG1 3.12Å
481V94.6Very high89.5Confident11 Ų1140.4 Ų40.47%0.06724%0.241CC..Hα-helixtrans-58.1-38.31771730000111.7F477 V483 T484 L485 F545F477-V481 HydrophobicContact CD2-CG2 4.2Å; F477-V481 HydrophobicContact CE1-CG2 4.17Å; F477-V481 HydrophobicContact CE2-CG2 3.79Å; F477-V481 HydrophobicContact CZ-CG2 3.76Å; F477-V481 WeakPolarHBondContact O-CG2 3.34Å; F477-V481 PolarHBondContact O-N 2.94Å; V481-V483 VanDerWaalsContact C-N 3.32Å; V481-V483 PolarHBondContact O-N 3Å; V481-T484 PolarHBondContact O-N 3.48Å; V481-L485 HydrophobicContact CG1-CD1 3.77Å; V481-L485 HydrophobicContact CG1-CG 4.28Å; V481-L485 WeakPolarHBondContact O-CB 3.33Å; V481-L485 PolarHBondContact O-N 2.87Å; V481-F545 HydrophobicContact CB-CE2 4.43Å; V481-F545 HydrophobicContact CB-CZ 4.39Å; V481-F545 HydrophobicContact CG1-CD2 4.34Å; V481-F545 HydrophobicContact CG1-CE1 4.17Å; V481-F545 HydrophobicContact CG1-CE2 3.61Å; V481-F545 HydrophobicContact CG1-CZ 3.52Å
482S94.2Very high89.8Confident3 Ų340.3 Ų40.32%0.02123%0.227CC..Hα-helixtrans-66.5-30.6177.169.40000114.1G478 N479 L480 G486G478-S482 WeakPolarHBondContact O-CB 3.41Å; G478-S482 PolarHBondContact O-N 2.96Å; G478-S482 PolarHBondContact O-OG 2.7Å; N479-S482 PolarHBondContact O-N 3.1Å; N479-S482 PolarHBondContact O-OG 3.29Å; L480-S482 VanDerWaalsContact C-N 3.26Å; L480-S482 PolarHBondContact O-N 2.68Å; S482-G486 PolarHBondContact O-N 3.43Å
483V92.3Very high89.7Confident73 Ų7339.9 Ų39.944%0.44222%0.222SC..Hα-helixtrans-76.1-45172.41750000110.4N479 L480 V481 L485 G486 L487N479-V483 PolarHBondContact O-N 3.5Å; N479-V483 VanDerWaalsContact O-N 3.11Å; L480-V483 PolarHBondContact O-N 3.39Å; V481-V483 VanDerWaalsContact C-N 3.32Å; V481-V483 PolarHBondContact O-N 3Å; V483-L485 PolarHBondContact O-N 3.39Å; V483-G486 PolarHBondContact O-N 2.81Å; V483-L487 HydrophobicContact CG1-CD1 3.72Å; V483-L487 HydrophobicContact CG1-CG 4.29Å; V483-L487 WeakPolarHBondContact O-CB 3.37Å; V483-L487 WeakPolarHBondContact O-CG 3.32Å; V483-L487 PolarHBondContact O-N 2.99Å
484T92.4Very high89.3Confident61 Ų6139.5 Ų39.537%0.37421%0.208SC..Hα-helixtrans-57.8-50.5177.5-54.80000111.8L480 V481 G486 L487 T488 I649L480-T484 PolarHBondContact O-N 3.43Å; L480-T484 PolarHBondContact O-OG1 3.19Å; L480-T484 VanDerWaalsContact O-OG1 3.12Å; V481-T484 PolarHBondContact O-N 3.48Å; T484-G486 VanDerWaalsContact C-N 3.33Å; T484-G486 PolarHBondContact O-N 3.36Å; T484-L487 PolarHBondContact O-N 2.72Å; T484-T488 PolarHBondContact O-N 2.88Å; T484-T488 PolarHBondContact O-OG1 2.88Å; T484-I649 HydrophobicContact CG2-CD1 4.35Å
485L92.3Very high88.7Confident0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-62.5-38176.5-75.9168.5000112.4V481 V483 L487 T488 I541 F545 I649 W650V481-L485 HydrophobicContact CG1-CD1 3.77Å; V481-L485 HydrophobicContact CG1-CG 4.28Å; V481-L485 WeakPolarHBondContact O-CB 3.33Å; V481-L485 PolarHBondContact O-N 2.87Å; V483-L485 PolarHBondContact O-N 3.39Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-L487 PolarHBondContact O-N 3.3Å; L485-T488 PolarHBondContact O-N 3.02Å; L485-I541 HydrophobicContact CB-CD1 3.97Å; L485-I541 HydrophobicContact CB-CG2 4.33Å; L485-I541 HydrophobicContact CD1-CG2 3.83Å; L485-F545 HydrophobicContact CD1-CE2 4.03Å; L485-I649 HydrophobicContact CD1-CG2 4.41Å; L485-I649 HydrophobicContact CD2-CB 3.72Å; L485-I649 HydrophobicContact CD2-CG2 3.48Å; L485-I649 VanDerWaalsContact CD2-CG2 3.48Å; L485-I649 HydrophobicContact CG-CB 4.46Å; L485-I649 HydrophobicContact CG-CG2 3.67Å; L485-W650 HydrophobicContact CD1-CD2 3.82Å; L485-W650 HydrophobicContact CD1-CE3 4.13Å; L485-W650 HydrophobicContact CD1-CG 4.35Å; L485-W650 HydrophobicContact CD1-CH2 4.25Å; L485-W650 HydrophobicContact CD1-CZ2 3.93Å; L485-W650 HydrophobicContact CD1-CZ3 4.33Å; L485-W650 HydrophobicContact CD2-CG 4.25Å
486G90.3Very high88.1Confident0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-64.1-36.9175.300000113.5S482 V483 T484 F534S482-G486 PolarHBondContact O-N 3.43Å; V483-G486 PolarHBondContact O-N 2.81Å; T484-G486 VanDerWaalsContact C-N 3.33Å; T484-G486 PolarHBondContact O-N 3.36Å; G486-F534 WeakPolarHBondContact O-CD2 3.3Å; G486-F534 WeakPolarHBondContact O-CE2 3.49Å
487L89.8Confident87Confident73 Ų7349.9 Ų49.938%0.38225%0.251SS..Hα-helixtrans-86.1-12.6-179.8-66.8176.1000113.9V483 T484 L485 F490 V491 F534V483-L487 HydrophobicContact CG1-CD1 3.72Å; V483-L487 HydrophobicContact CG1-CG 4.29Å; V483-L487 WeakPolarHBondContact O-CB 3.37Å; V483-L487 WeakPolarHBondContact O-CG 3.32Å; V483-L487 PolarHBondContact O-N 2.99Å; T484-L487 PolarHBondContact O-N 2.72Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-L487 PolarHBondContact O-N 3.3Å; L487-F490 WeakPolarHBondContact O-CB 3.07Å; L487-F490 PolarHBondContact O-N 3.16Å; L487-F490 VanDerWaalsContact O-N 3.08Å; L487-V491 HydrophobicContact CB-CG2 4.43Å; L487-V491 WeakPolarHBondContact O-CG2 3.23Å; L487-V491 PolarHBondContact O-N 3.12Å; L487-F534 HydrophobicContact CD2-CE2 3.99Å; L487-F534 HydrophobicContact CD2-CZ 4.05Å
488T88.9Confident85.8Confident15 Ų1547.4 Ų47.49%0.09224%0.241CC..Hα-helixtrans-55.2-45.1-176.1-55.80000114.1T484 L485 F490 Y492 W645 E646 I649T484-T488 PolarHBondContact O-N 2.88Å; T484-T488 PolarHBondContact O-OG1 2.88Å; L485-T488 PolarHBondContact O-N 3.02Å; T488-F490 VanDerWaalsContact C-N 3.3Å; T488-F490 PolarHBondContact O-N 3.11Å; T488-Y492 VanDerWaalsContact O-CB 3.26Å; T488-Y492 WeakPolarHBondContact O-CB 3.35Å; T488-Y492 PolarHBondContact O-N 3.17Å; T488-W645 HydrophobicContact CG2-CB 4.39Å; T488-E646 HydrophobicContact CG2-CG 3.91Å; T488-I649 HydrophobicContact CG2-CD1 4.2Å
489P86.1Confident84.3Confident1 Ų153.3 Ų53.31%0.00627%0.273CS..Hα-helixtrans-62.7-34.717620.7-31.9000113.4R493 H642P489-R493 WeakPolarHBondContact O-CB 3.05Å; P489-R493 PolarHBondContact O-N 3.08Å; P489-H642 WeakPolarHBondContact CA-CE1 3.25Å
490F84.8Confident82.7Confident17 Ų1758.1 Ų58.18%0.07530%0.298CS..Hα-helixtrans-73.8-44.5-178.9-63.4-72.9000112.4L487 T488 Y492 R493 L494 V515 L516 V530 F534L487-F490 WeakPolarHBondContact O-CB 3.07Å; L487-F490 PolarHBondContact O-N 3.16Å; L487-F490 VanDerWaalsContact O-N 3.08Å; T488-F490 VanDerWaalsContact C-N 3.3Å; T488-F490 PolarHBondContact O-N 3.11Å; F490-Y492 VanDerWaalsContact C-N 3.32Å; F490-R493 PolarHBondContact O-N 2.96Å; F490-L494 WeakPolarHBondContact O-CB 3.3Å; F490-L494 PolarHBondContact O-N 2.78Å; F490-V515 HydrophobicContact CB-CG1 3.89Å; F490-V515 HydrophobicContact CD1-CG1 3.5Å; F490-V515 VanDerWaalsContact CD1-CG1 3.5Å; F490-V515 VanDerWaalsContact CD1-O 3.25Å; F490-V515 WeakPolarHBondContact CD1-O 3.44Å; F490-V515 HydrophobicContact CE1-CG1 4.47Å; F490-V515 HydrophobicContact CG-CG1 4.11Å; F490-L516 HydrophobicContact CE1-CD2 3.99Å; F490-V530 HydrophobicContact CE1-CG1 3.43Å; F490-V530 VanDerWaalsContact CE1-CG1 3.43Å; F490-V530 HydrophobicContact CZ-CG1 3.55Å; F490-F534 HydrophobicContact CD2-CD2 4.13Å; F490-F534 HydrophobicContact CD2-CE2 4.43Å; F490-F534 HydrophobicContact CE2-CB 3.75Å; F490-F534 AromaticContact CE2-CD2 3.45Å; F490-F534 HydrophobicContact CE2-CD2 3.45Å; F490-F534 VanDerWaalsContact CE2-CD2 3.45Å; F490-F534 HydrophobicContact CE2-CE2 4.16Å; F490-F534 AromaticContact CE2-CG 3.71Å; F490-F534 HydrophobicContact CE2-CG 3.71Å; F490-F534 HydrophobicContact CZ-CB 3.79Å; F490-F534 HydrophobicContact CZ-CD2 4.29Å; F490-F534 HydrophobicContact CZ-CG 4.09Å
491V84.3Confident80.8Confident77 Ų7760.3 Ų60.347%0.46731%0.31SS..Hα-helixtrans-62.9-41.3174.2172.90000110.5L487 L494 I495L487-V491 HydrophobicContact CB-CG2 4.43Å; L487-V491 WeakPolarHBondContact O-CG2 3.23Å; L487-V491 PolarHBondContact O-N 3.12Å; V491-L494 PolarHBondContact O-N 3.3Å; V491-I495 HydrophobicContact CG1-CD1 3.78Å; V491-I495 VanDerWaalsContact O-CG1 3.28Å; V491-I495 WeakPolarHBondContact O-CG1 3.26Å; V491-I495 PolarHBondContact O-N 2.95Å
492Y81.9Confident79.1Confident44 Ų4464.3 Ų64.317%0.17333%0.328CS..Hα-helixtrans-66.6-44.6177.3178.3-82.7000112.5T488 F490 L494 I495 Q496 E640 H642T488-Y492 VanDerWaalsContact O-CB 3.26Å; T488-Y492 WeakPolarHBondContact O-CB 3.35Å; T488-Y492 PolarHBondContact O-N 3.17Å; F490-Y492 VanDerWaalsContact C-N 3.32Å; Y492-L494 VanDerWaalsContact C-N 3.28Å; Y492-L494 PolarHBondContact O-N 3.32Å; Y492-I495 PolarHBondContact O-N 3.05Å; Y492-Q496 HydrophobicContact CD1-CG 4.24Å; Y492-Q496 HydrophobicContact CE1-CG 3.78Å; Y492-Q496 PolarHBondContact O-N 3.35Å; Y492-Q496 PolarHBondContact OH-NE2 3.44Å; Y492-Q496 VanDerWaalsContact OH-NE2 3.07Å; Y492-E640 WeakPolarHBondContact CE2-O 3.35Å; Y492-E640 PolarHBondContact OH-O 3Å; Y492-H642 HydrophobicContact CD1-CB 3.68Å; Y492-H642 HydrophobicContact CD2-CB 3.84Å; Y492-H642 HydrophobicContact CE1-CB 3.63Å; Y492-H642 VanDerWaalsContact CE2-CA 3.45Å; Y492-H642 HydrophobicContact CE2-CB 3.77Å; Y492-H642 HydrophobicContact CG-CB 3.77Å; Y492-H642 PolarHBondContact OH-N 3.46Å
493R80.5Confident77.4Confident37 Ų3769 Ų6914%0.1435%0.348CS..Hα-helixtrans-56.6-42.4172.9-85.8-167.6-79.5-85.62.4112E130 P489 F490 Q496 Y497 V515E130-R493 IonicContact OE1-CZ 3.69Å; E130-R493 IonicContact OE1-NH1 3.7Å; E130-R493 PolarHBondContact OE1-NH1 2.91Å; E130-R493 IonicContact OE1-NH2 3.52Å; E130-R493 PolarHBondContact OE1-NH2 2.86Å; E130-R493 IonicContact OE2-CZ 3.6Å; E130-R493 IonicContact OE2-NH1 3.78Å; E130-R493 PolarHBondContact OE2-NH1 3.4Å; E130-R493 IonicContact OE2-NH2 2.78Å; P489-R493 WeakPolarHBondContact O-CB 3.05Å; P489-R493 PolarHBondContact O-N 3.08Å; F490-R493 PolarHBondContact O-N 2.96Å; R493-Q496 PolarHBondContact O-N 3.24Å; R493-Y497 PolarHBondContact O-N 3.02Å; R493-Y497 VanDerWaalsContact O-N 3.14Å; R493-V515 PolarHBondContact NE-O 3.42Å
494L78.1Confident75.9Confident43 Ų4371.8 Ų71.823%0.22537%0.365CS..Hα-helixtrans-64.2-41.8177.5-173.562.9000112.3F490 V491 Y492 Q496 Y497 C498 F503 I511 V515F490-L494 WeakPolarHBondContact O-CB 3.3Å; F490-L494 PolarHBondContact O-N 2.78Å; V491-L494 PolarHBondContact O-N 3.3Å; Y492-L494 VanDerWaalsContact C-N 3.28Å; Y492-L494 PolarHBondContact O-N 3.32Å; L494-Q496 VanDerWaalsContact C-N 3.34Å; L494-Y497 PolarHBondContact O-N 3.1Å; L494-C498 WeakPolarHBondContact O-CB 3.49Å; L494-C498 PolarHBondContact O-N 3.33Å; L494-F503 HydrophobicContact CD2-CE1 4.4Å; L494-F503 HydrophobicContact CG-CE1 4.34Å; L494-I511 HydrophobicContact CD1-CG2 4.05Å; L494-V515 HydrophobicContact CB-CG2 4.21Å; L494-V515 HydrophobicContact CD1-CG2 4.13Å
495I77.9Confident74.5Confident114 Ų11474.2 Ų74.259%0.58538%0.38SS*.Hα-helixtrans-66.9-33.2177.1-69.5165.3000112V491 Y492V491-I495 HydrophobicContact CG1-CD1 3.78Å; V491-I495 VanDerWaalsContact O-CG1 3.28Å; V491-I495 WeakPolarHBondContact O-CG1 3.26Å; V491-I495 PolarHBondContact O-N 2.95Å; Y492-I495 PolarHBondContact O-N 3.05Å
496Q76.1Confident73.3Confident135 Ų13576.1 Ų76.163%0.63139%0.39SS*.Hα-helixtrans-76.2-22.2175.4-73.6-160.6-47.600114.1Y492 R493 L494Y492-Q496 HydrophobicContact CD1-CG 4.24Å; Y492-Q496 HydrophobicContact CE1-CG 3.78Å; Y492-Q496 PolarHBondContact O-N 3.35Å; Y492-Q496 PolarHBondContact OH-NE2 3.44Å; Y492-Q496 VanDerWaalsContact OH-NE2 3.07Å; R493-Q496 PolarHBondContact O-N 3.24Å; L494-Q496 VanDerWaalsContact C-N 3.34Å
497Y69.6Low72.5Confident126 Ų12678.5 Ų78.549%0.49441%0.407SS..Hα-helixtrans-92.6-36.5179.8-173.7-91.5000112.8R493 L494 L506 V514R493-Y497 PolarHBondContact O-N 3.02Å; R493-Y497 VanDerWaalsContact O-N 3.14Å; L494-Y497 PolarHBondContact O-N 3.1Å; Y497-L506 HydrophobicContact CE1-CD1 4.25Å; Y497-L506 HydrophobicContact CE1-CD2 4.3Å; Y497-V514 HydrophobicContact CD1-CG1 3.78Å; Y497-V514 HydrophobicContact CD1-CG2 4.19Å; Y497-V514 HydrophobicContact CD2-CG1 3.66Å; Y497-V514 HydrophobicContact CD2-CG2 4.12Å; Y497-V514 HydrophobicContact CE1-CG1 4.28Å; Y497-V514 HydrophobicContact CE1-CG2 3.83Å; Y497-V514 HydrophobicContact CE2-CG1 4.17Å; Y497-V514 HydrophobicContact CE2-CG2 3.75Å; Y497-V514 HydrophobicContact CG-CG1 3.44Å; Y497-V514 VanDerWaalsContact CG-CG1 3.44Å; Y497-V514 HydrophobicContact CG-CG2 4.33Å
498C66.7Low71.8Confident9 Ų978.8 Ų78.86%0.06142%0.419CS..  trans-99105-177-640000112L494 F503L494-C498 WeakPolarHBondContact O-CB 3.49Å; L494-C498 PolarHBondContact O-N 3.33Å; C498-F503 HydrophobicContact CB-CD2 4.05Å; C498-F503 HydrophobicContact CB-CE1 4.02Å; C498-F503 HydrophobicContact CB-CE2 3.5Å; C498-F503 VanDerWaalsContact CB-CE2 3.5Å; C498-F503 HydrophobicContact CB-CZ 3.48Å; C498-F503 VanDerWaalsContact CB-CZ 3.48Å
499D62.7Low71Confident124 Ų12484.1 Ų84.166%0.66345%0.447SS*.  trans-55144.7153.3-98.3-41.1000109.9D501 Q502D499-D501 PolarHBondContact O-N 3.3Å; D499-Q502 PolarHBondContact O-N 3.36Å
500L57.7Low70.2Confident152 Ų15288.7 Ų88.780%0.79647%0.469SS*.THydrogen-bonded Turntrans-57.9-24.7-167-83.3164000114.8F503L500-F503 HydrophobicContact CD2-CE2 4.37Å
501D56.7Low69.7Low152 Ų15290.6 Ų90.681%0.81348%0.479SS*.THydrogen-bonded Turntrans-84.8-13.1-179.8-63.2-44.8000113.9D499D499-D501 PolarHBondContact O-N 3.3Å
502Q58.1Low69.1Low94 Ų9491.5 Ų91.544%0.43948%0.481SS..  trans-91.2-4.3-174.8-60-170.918.600114.5D499 T504 T505D499-Q502 PolarHBondContact O-N 3.36Å; Q502-T504 PolarHBondContact O-N 2.69Å; Q502-T505 PolarHBondContact O-N 2.96Å; Q502-T505 PolarHBondContact O-OG1 2.96Å
503F57.6Low68.7Low102 Ų10291.4 Ų91.445%0.44749%0.487SS..THydrogen-bonded Turntrans-62.5-9.1-177.2-83.1-85.7000115.5L494 C498 L500L494-F503 HydrophobicContact CD2-CE1 4.4Å; L494-F503 HydrophobicContact CG-CE1 4.34Å; C498-F503 HydrophobicContact CB-CD2 4.05Å; C498-F503 HydrophobicContact CB-CE1 4.02Å; C498-F503 HydrophobicContact CB-CE2 3.5Å; C498-F503 VanDerWaalsContact CB-CE2 3.5Å; C498-F503 HydrophobicContact CB-CZ 3.48Å; C498-F503 VanDerWaalsContact CB-CZ 3.48Å; L500-F503 HydrophobicContact CD2-CE2 4.37Å
504T61Low68.3Low131 Ų13190.9 Ų90.980%0.80449%0.487SS*.THydrogen-bonded Turntrans-104.9-8.7-175.657.90000114.7Q502Q502-T504 PolarHBondContact O-N 2.69Å
505T63.4Low68.2Low112 Ų11289.9 Ų89.969%0.68748%0.483SS*.THydrogen-bonded Turntrans-111.8-19.5-171.953.20000114.8Q502Q502-T505 PolarHBondContact O-N 2.96Å; Q502-T505 PolarHBondContact O-OG1 2.96Å
506L66.4Low68.1Low40 Ų4085.9 Ų85.921%0.20946%0.463CS..SBendtrans-78.1140.5-179.6-76.1156.4000112.7Y497 E510 I511Y497-L506 HydrophobicContact CE1-CD1 4.25Å; Y497-L506 HydrophobicContact CE1-CD2 4.3Å; L506-E510 HydrophobicContact CD2-CB 4.34Å; L506-I511 HydrophobicContact CB-CD1 4.05Å; L506-I511 HydrophobicContact CB-CG1 3.89Å
507S74.6Confident67.7Low51 Ų5180.9 Ų80.936%0.35745%0.448SS..  trans-78.7155.1173.478.70000112.2N509 E510 I511S507-N509 PolarHBondContact O-N 2.8Å; S507-N509 VanDerWaalsContact O-N 3.12Å; S507-E510 WeakPolarHBondContact CA-OE2 3.49Å; S507-E510 WeakPolarHBondContact CB-OE2 3.35Å; S507-E510 PolarHBondContact N-OE2 3.13Å; S507-E510 PolarHBondContact O-N 2.99Å; S507-E510 VanDerWaalsContact OG-CD 3.22Å; S507-E510 WeakPolarHBondContact OG-CG 3.37Å; S507-E510 PolarHBondContact OG-N 3.35Å; S507-E510 PolarHBondContact OG-OE2 3.04Å; S507-I511 WeakPolarHBondContact O-CG1 3.41Å; S507-I511 PolarHBondContact O-N 3.31Å
508A74Confident67.4Low78 Ų7875.6 Ų75.665%0.64543%0.432SS*.Hα-helixtrans-59.8-25.4179.500000113.9L512A508-L512 WeakPolarHBondContact O-CB 3.32Å; A508-L512 PolarHBondContact O-N 3.13Å; A508-L512 VanDerWaalsContact O-N 3.13Å
509N72.2Confident67.2Low127 Ų12778.9 Ų78.968%0.67947%0.467SS*.Hα-helixtrans-78.7-39.3178.6-68.8-14.8000112S507 L512 S513S507-N509 PolarHBondContact O-N 2.8Å; S507-N509 VanDerWaalsContact O-N 3.12Å; N509-L512 PolarHBondContact O-N 2.88Å; N509-S513 PolarHBondContact O-N 3.28Å; N509-S513 PolarHBondContact O-OG 3.37Å
510E70.4Confident66.8Low97 Ų9776.8 Ų76.845%0.45346%0.462SS..Hα-helixtrans-68.8-40.6175.6-66.715514200110.9L506 S507 L512 S513 V514L506-E510 HydrophobicContact CD2-CB 4.34Å; S507-E510 WeakPolarHBondContact CA-OE2 3.49Å; S507-E510 WeakPolarHBondContact CB-OE2 3.35Å; S507-E510 PolarHBondContact N-OE2 3.13Å; S507-E510 PolarHBondContact O-N 2.99Å; S507-E510 VanDerWaalsContact OG-CD 3.22Å; S507-E510 WeakPolarHBondContact OG-CG 3.37Å; S507-E510 PolarHBondContact OG-N 3.35Å; S507-E510 PolarHBondContact OG-OE2 3.04Å; E510-L512 VanDerWaalsContact C-N 3.27Å; E510-L512 PolarHBondContact O-N 3.44Å; E510-S513 PolarHBondContact O-N 3.31Å; E510-S513 PolarHBondContact O-OG 3.2Å; E510-S513 VanDerWaalsContact O-OG 3.05Å; E510-V514 WeakPolarHBondContact O-CB 3.39Å; E510-V514 VanDerWaalsContact O-CG2 3.25Å; E510-V514 WeakPolarHBondContact O-CG2 3.19Å; E510-V514 PolarHBondContact O-N 3.39Å
511I73.3Confident66.6Low58 Ų5878.7 Ų78.730%0.29747%0.467SS..Hα-helixtrans-57.7-44.3170.7-65.7168.4000109.9L494 L506 S507 V515L494-I511 HydrophobicContact CD1-CG2 4.05Å; L506-I511 HydrophobicContact CB-CD1 4.05Å; L506-I511 HydrophobicContact CB-CG1 3.89Å; S507-I511 WeakPolarHBondContact O-CG1 3.41Å; S507-I511 PolarHBondContact O-N 3.31Å; I511-V515 HydrophobicContact CG2-CG2 4.24Å; I511-V515 WeakPolarHBondContact O-CB 3.24Å; I511-V515 WeakPolarHBondContact O-CG2 3.45Å; I511-V515 PolarHBondContact O-N 3.32Å
512L73.2Confident66.8Low95 Ų9573 Ų7350%0.49744%0.439SS..Hα-helixtrans-67.3-40.8180-174.661.7000112.9A508 N509 E510 L516A508-L512 WeakPolarHBondContact O-CB 3.32Å; A508-L512 PolarHBondContact O-N 3.13Å; A508-L512 VanDerWaalsContact O-N 3.13Å; N509-L512 PolarHBondContact O-N 2.88Å; E510-L512 VanDerWaalsContact C-N 3.27Å; E510-L512 PolarHBondContact O-N 3.44Å; L512-L516 HydrophobicContact CD1-CD1 3.77Å; L512-L516 HydrophobicContact CD1-CG 4.18Å; L512-L516 HydrophobicContact CG-CD1 3.93Å; L512-L516 WeakPolarHBondContact O-CB 3.31Å; L512-L516 VanDerWaalsContact O-CG 3.24Å; L512-L516 WeakPolarHBondContact O-CG 3.4Å; L512-L516 PolarHBondContact O-N 3.18Å; L512-L516 VanDerWaalsContact O-N 3.08Å
513S72.7Confident67.3Low43 Ų4370.2 Ų70.230%0.30143%0.427SS..Hα-helixtrans-66.6-46.517762.80000111.5N509 E510 V515 L516 G517 G518N509-S513 PolarHBondContact O-N 3.28Å; N509-S513 PolarHBondContact O-OG 3.37Å; E510-S513 PolarHBondContact O-N 3.31Å; E510-S513 PolarHBondContact O-OG 3.2Å; E510-S513 VanDerWaalsContact O-OG 3.05Å; S513-V515 PolarHBondContact O-N 3.34Å; S513-L516 CarbonylContact O-C 3.52Å; S513-L516 PolarHBondContact O-N 3Å; S513-G517 PolarHBondContact O-N 3.18Å; S513-G518 PolarHBondContact O-N 3.04Å
514V72.8Confident68.4Low25 Ų2568.5 Ų68.515%0.15243%0.432CS..Hα-helixtrans-57.5-48.1175.5166.90000111.5Y497 E510 L516 G517Y497-V514 HydrophobicContact CD1-CG1 3.78Å; Y497-V514 HydrophobicContact CD1-CG2 4.19Å; Y497-V514 HydrophobicContact CD2-CG1 3.66Å; Y497-V514 HydrophobicContact CD2-CG2 4.12Å; Y497-V514 HydrophobicContact CE1-CG1 4.28Å; Y497-V514 HydrophobicContact CE1-CG2 3.83Å; Y497-V514 HydrophobicContact CE2-CG1 4.17Å; Y497-V514 HydrophobicContact CE2-CG2 3.75Å; Y497-V514 HydrophobicContact CG-CG1 3.44Å; Y497-V514 VanDerWaalsContact CG-CG1 3.44Å; Y497-V514 HydrophobicContact CG-CG2 4.33Å; E510-V514 WeakPolarHBondContact O-CB 3.39Å; E510-V514 VanDerWaalsContact O-CG2 3.25Å; E510-V514 WeakPolarHBondContact O-CG2 3.19Å; E510-V514 PolarHBondContact O-N 3.39Å; V514-L516 VanDerWaalsContact C-N 3.28Å; V514-L516 PolarHBondContact O-N 3.44Å; V514-G517 PolarHBondContact O-N 3.07Å; V514-G517 VanDerWaalsContact O-N 3.08Å
515V75.8Confident69.5Low22 Ų2266.5 Ų66.513%0.13342%0.415CS..Hα-helixtrans-62-35.7-179.6164.10000111.9F490 R493 L494 I511 S513F490-V515 HydrophobicContact CB-CG1 3.89Å; F490-V515 HydrophobicContact CD1-CG1 3.5Å; F490-V515 VanDerWaalsContact CD1-CG1 3.5Å; F490-V515 VanDerWaalsContact CD1-O 3.25Å; F490-V515 WeakPolarHBondContact CD1-O 3.44Å; F490-V515 HydrophobicContact CE1-CG1 4.47Å; F490-V515 HydrophobicContact CG-CG1 4.11Å; R493-V515 PolarHBondContact NE-O 3.42Å; L494-V515 HydrophobicContact CB-CG2 4.21Å; L494-V515 HydrophobicContact CD1-CG2 4.13Å; I511-V515 HydrophobicContact CG2-CG2 4.24Å; I511-V515 WeakPolarHBondContact O-CB 3.24Å; I511-V515 WeakPolarHBondContact O-CG2 3.45Å; I511-V515 PolarHBondContact O-N 3.32Å; S513-V515 PolarHBondContact O-N 3.34Å
516L74.9Confident70.5Confident30 Ų3061.5 Ų61.516%0.15739%0.385CS..Hα-helixtrans-86.9-6.8176.4-63.3175000114.2F490 L512 S513 V514 I527 V530 T531F490-L516 HydrophobicContact CE1-CD2 3.99Å; L512-L516 HydrophobicContact CD1-CD1 3.77Å; L512-L516 HydrophobicContact CD1-CG 4.18Å; L512-L516 HydrophobicContact CG-CD1 3.93Å; L512-L516 WeakPolarHBondContact O-CB 3.31Å; L512-L516 VanDerWaalsContact O-CG 3.24Å; L512-L516 WeakPolarHBondContact O-CG 3.4Å; L512-L516 PolarHBondContact O-N 3.18Å; L512-L516 VanDerWaalsContact O-N 3.08Å; S513-L516 CarbonylContact O-C 3.52Å; S513-L516 PolarHBondContact O-N 3Å; V514-L516 VanDerWaalsContact C-N 3.28Å; V514-L516 PolarHBondContact O-N 3.44Å; L516-I527 HydrophobicContact CB-CB 4.46Å; L516-I527 HydrophobicContact CB-CG1 3.96Å; L516-I527 HydrophobicContact CB-CG2 4.1Å; L516-I527 HydrophobicContact CD1-CG2 3.96Å; L516-V530 HydrophobicContact CD2-CG1 4.37Å; L516-T531 HydrophobicContact CD2-CG2 3.77Å
517G67.6Low71.4Confident31 Ų3161.7 Ų61.732%0.3239%0.386SS..THydrogen-bonded Turntrans8736.9174.900000115.5S513 V514S513-G517 PolarHBondContact O-N 3.18Å; V514-G517 PolarHBondContact O-N 3.07Å; V514-G517 VanDerWaalsContact O-N 3.08Å
518G64.4Low72Confident15 Ų1562.1 Ų62.116%0.15539%0.386CS..  trans-112.5137.6-177.100000116.9S513 D523S513-G518 PolarHBondContact O-N 3.04Å; G518-D523 VanDerWaalsContact CA-OD1 3.24Å; G518-D523 WeakPolarHBondContact CA-OD1 3.47Å; G518-D523 WeakPolarHBondContact CA-OD2 3.24Å
519G61Low72.7Confident78 Ų7858.4 Ų58.480%0.80436%0.355SS*.SBendtrans-156.816.6163.400000117D523G519-D523 WeakPolarHBondContact CA-OD2 3.4Å; G519-D523 PolarHBondContact N-OD1 2.88Å; G519-D523 PolarHBondContact N-OD2 3.2Å
520S56Low73.5Confident79 Ų7952.4 Ų52.455%0.55232%0.323SS*.SBendtrans-160.7177.2-178.3-166.20000114.1S522 D523S520-S522 PolarHBondContact O-N 3.38Å; S520-D523 PolarHBondContact N-OD1 3.4Å; S520-D523 PolarHBondContact N-OD2 3.24Å; S520-D523 WeakPolarHBondContact O-CB 3.5Å; S520-D523 PolarHBondContact O-N 3.45Å; S520-D523 VanDerWaalsContact O-OD1 3.06Å
521E53.6Low74.4Confident192 Ų19250.3 Ų50.390%0.89732%0.317SS*.THydrogen-bonded Turntrans-63.1-23.5179.4-69.9-168.1114.700114.2D523E521-D523 PolarHBondContact O-N 2.99Å
522S59.3Low75.2Confident33 Ų3349 Ų4923%0.23131%0.311CS..THydrogen-bonded Turntrans-69.5-13.5172.542.80000113.7Q122 S520 A524 L525Q122-S522 PolarHBondContact OE1-OG 2.91Å; S520-S522 PolarHBondContact O-N 3.38Å; S522-A524 VanDerWaalsContact C-N 3.27Å; S522-A524 PolarHBondContact O-N 3.07Å; S522-L525 PolarHBondContact O-N 3.13Å
523D69.5Low76Confident35 Ų3544.8 Ų44.819%0.18729%0.289CS..Hα-helixtrans-53.9-39.8179.4-70.6-2.3000113.6G518 G519 S520 E521 L525 V526 I527G518-D523 VanDerWaalsContact CA-OD1 3.24Å; G518-D523 WeakPolarHBondContact CA-OD1 3.47Å; G518-D523 WeakPolarHBondContact CA-OD2 3.24Å; G519-D523 WeakPolarHBondContact CA-OD2 3.4Å; G519-D523 PolarHBondContact N-OD1 2.88Å; G519-D523 PolarHBondContact N-OD2 3.2Å; S520-D523 PolarHBondContact N-OD1 3.4Å; S520-D523 PolarHBondContact N-OD2 3.24Å; S520-D523 WeakPolarHBondContact O-CB 3.5Å; S520-D523 PolarHBondContact O-N 3.45Å; S520-D523 VanDerWaalsContact O-OD1 3.06Å; E521-D523 PolarHBondContact O-N 2.99Å; D523-L525 PolarHBondContact O-N 3.47Å; D523-L525 VanDerWaalsContact O-N 3.08Å; D523-V526 CarbonylContact O-C 3.51Å; D523-V526 WeakPolarHBondContact O-CA 3.44Å; D523-V526 PolarHBondContact O-N 3.27Å; D523-I527 HydrophobicContact CB-CD1 3.91Å; D523-I527 HydrophobicContact CB-CG1 4.32Å; D523-I527 WeakPolarHBondContact O-CB 3.33Å; D523-I527 WeakPolarHBondContact O-CG1 3.38Å; D523-I527 PolarHBondContact O-N 2.96Å
524A80.9Confident76.9Confident66 Ų6645.9 Ų45.955%0.54529%0.289SS..Hα-helixtrans-57.2-34.4-171.700000111.4S522 T528S522-A524 VanDerWaalsContact C-N 3.27Å; S522-A524 PolarHBondContact O-N 3.07Å; A524-T528 WeakPolarHBondContact O-CB 3.32Å; A524-T528 PolarHBondContact O-N 3.36Å; A524-T528 PolarHBondContact O-OG1 2.95Å
525L84.3Confident77.9Confident89 Ų8949 Ų4947%0.46630%0.304SS..Hα-helixtrans-79.1-37.8174.8-59.6179.3000112.5L116 I120 S522 D523 M529L116-L525 HydrophobicContact CD2-CD2 4.17Å; I120-L525 HydrophobicContact CD1-CB 3.81Å; I120-L525 HydrophobicContact CG1-CB 4Å; I120-L525 HydrophobicContact CG1-CD1 4.25Å; S522-L525 PolarHBondContact O-N 3.13Å; D523-L525 PolarHBondContact O-N 3.47Å; D523-L525 VanDerWaalsContact O-N 3.08Å; L525-M529 WeakPolarHBondContact O-CB 3.28Å; L525-M529 PolarHBondContact O-N 3.38Å
526V83.6Confident78.7Confident7 Ų748.1 Ų48.14%0.04230%0.298CS..Hα-helixtrans-67-53178.9178.20000111.2I120 I126 D523 T528 M529 V530I120-V526 HydrophobicContact CD1-CG2 4.19Å; I126-V526 HydrophobicContact CD1-CG1 3.49Å; I126-V526 VanDerWaalsContact CD1-CG1 3.49Å; D523-V526 CarbonylContact O-C 3.51Å; D523-V526 WeakPolarHBondContact O-CA 3.44Å; D523-V526 PolarHBondContact O-N 3.27Å; V526-T528 VanDerWaalsContact C-N 3.29Å; V526-T528 PolarHBondContact O-N 3.17Å; V526-M529 WeakPolarHBondContact O-CB 3.44Å; V526-M529 PolarHBondContact O-N 2.91Å; V526-M529 VanDerWaalsContact O-N 3.12Å; V526-V530 WeakPolarHBondContact O-CB 3.44Å; V526-V530 WeakPolarHBondContact O-CG2 3.47Å; V526-V530 PolarHBondContact O-N 2.96Å
527I84.8Confident79.5Confident45 Ų4547.3 Ų47.323%0.23129%0.293CS..Hα-helixtrans-57.4-42.2174.3-65.9176.3000110.5L516 D523 V530 T531L516-I527 HydrophobicContact CB-CB 4.46Å; L516-I527 HydrophobicContact CB-CG1 3.96Å; L516-I527 HydrophobicContact CB-CG2 4.1Å; L516-I527 HydrophobicContact CD1-CG2 3.96Å; D523-I527 HydrophobicContact CB-CD1 3.91Å; D523-I527 HydrophobicContact CB-CG1 4.32Å; D523-I527 WeakPolarHBondContact O-CB 3.33Å; D523-I527 WeakPolarHBondContact O-CG1 3.38Å; D523-I527 PolarHBondContact O-N 2.96Å; I527-V530 PolarHBondContact O-N 3.46Å; I527-T531 HydrophobicContact CG2-CG2 4.39Å; I527-T531 WeakPolarHBondContact O-CB 3.24Å; I527-T531 WeakPolarHBondContact O-CG2 3.41Å; I527-T531 PolarHBondContact O-N 2.87Å; I527-T531 PolarHBondContact O-OG1 3.18Å
528T87.4Confident80.7Confident59 Ų5947.4 Ų47.436%0.36229%0.288SS..Hα-helixtrans-60.8-50.7173.8-67.40000110.6L116 A524 V526 V530 T531 L532L116-T528 HydrophobicContact CD1-CG2 3.93Å; A524-T528 WeakPolarHBondContact O-CB 3.32Å; A524-T528 PolarHBondContact O-N 3.36Å; A524-T528 PolarHBondContact O-OG1 2.95Å; V526-T528 VanDerWaalsContact C-N 3.29Å; V526-T528 PolarHBondContact O-N 3.17Å; T528-V530 VanDerWaalsContact C-N 3.34Å; T528-V530 PolarHBondContact O-N 2.97Å; T528-T531 PolarHBondContact O-N 3.44Å; T528-T531 PolarHBondContact O-OG1 3.19Å; T528-L532 HydrophobicContact CG2-CD1 3.72Å; T528-L532 WeakPolarHBondContact O-CB 3.36Å; T528-L532 WeakPolarHBondContact O-CD1 3.42Å; T528-L532 PolarHBondContact O-N 3.08Å
529M89.3Confident82.1Confident0 Ų048.6 Ų48.60%029%0.293CS..Hα-helixtrans-58.9-42.2178-176.6-167.67200112.8L116 Y117 I126 V131 L525 V526 S533L116-M529 HydrophobicContact CB-CB 3.99Å; L116-M529 HydrophobicContact CB-CG 4.04Å; L116-M529 HydrophobicContact CB-SD 4.41Å; L116-M529 HydrophobicContact CD1-CB 4.03Å; Y117-M529 WeakPolarHBondContact CA-SD 3.44Å; Y117-M529 HydrophobicContact CD2-CE 4.03Å; Y117-M529 HydrophobicContact CD2-SD 3.7Å; Y117-M529 HydrophobicContact CG-SD 4.16Å; I126-M529 HydrophobicContact CB-CE 4.37Å; I126-M529 HydrophobicContact CD1-CE 3.48Å; I126-M529 VanDerWaalsContact CD1-CE 3.48Å; I126-M529 HydrophobicContact CG2-CE 4.01Å; V131-M529 HydrophobicContact CG2-CE 4.4Å; V131-M529 HydrophobicContact CG2-CG 4.45Å; V131-M529 HydrophobicContact CG2-SD 4.25Å; L525-M529 WeakPolarHBondContact O-CB 3.28Å; L525-M529 PolarHBondContact O-N 3.38Å; V526-M529 WeakPolarHBondContact O-CB 3.44Å; V526-M529 PolarHBondContact O-N 2.91Å; V526-M529 VanDerWaalsContact O-N 3.12Å; M529-S533 VanDerWaalsContact O-CB 3.27Å; M529-S533 WeakPolarHBondContact O-CB 3.28Å; M529-S533 PolarHBondContact O-N 2.97Å; M529-S533 PolarHBondContact O-OG 3.15Å
530V88.4Confident83.7Confident1 Ų144.9 Ų44.91%0.00626%0.255CS..Hα-helixtrans-67.2-46.9178.9169.30000111.3I126 F490 L516 V526 I527 T528 S533 F534I126-V530 HydrophobicContact CD1-CG2 3.48Å; I126-V530 VanDerWaalsContact CD1-CG2 3.48Å; I126-V530 HydrophobicContact CG1-CG2 4.41Å; F490-V530 HydrophobicContact CE1-CG1 3.43Å; F490-V530 VanDerWaalsContact CE1-CG1 3.43Å; F490-V530 HydrophobicContact CZ-CG1 3.55Å; L516-V530 HydrophobicContact CD2-CG1 4.37Å; V526-V530 WeakPolarHBondContact O-CB 3.44Å; V526-V530 WeakPolarHBondContact O-CG2 3.47Å; V526-V530 PolarHBondContact O-N 2.96Å; I527-V530 PolarHBondContact O-N 3.46Å; T528-V530 VanDerWaalsContact C-N 3.34Å; T528-V530 PolarHBondContact O-N 2.97Å; V530-S533 PolarHBondContact O-N 3.42Å; V530-F534 WeakPolarHBondContact O-CB 3.43Å; V530-F534 PolarHBondContact O-N 3.43Å
531T89Confident85.5Confident54 Ų5441.4 Ų41.433%0.33123%0.23SC..Hα-helixtrans-66.5-38.6178.151.80000112.6L516 I527 T528 L535L516-T531 HydrophobicContact CD2-CG2 3.77Å; I527-T531 HydrophobicContact CG2-CG2 4.39Å; I527-T531 WeakPolarHBondContact O-CB 3.24Å; I527-T531 WeakPolarHBondContact O-CG2 3.41Å; I527-T531 PolarHBondContact O-N 2.87Å; I527-T531 PolarHBondContact O-OG1 3.18Å; T528-T531 PolarHBondContact O-N 3.44Å; T528-T531 PolarHBondContact O-OG1 3.19Å; T531-L535 WeakPolarHBondContact O-CB 3.49Å; T531-L535 PolarHBondContact O-N 2.86Å
532L91.3Very high87.5Confident31 Ų3137 Ų3716%0.16221%0.205CC..Hα-helixtrans-60.2-48.9170.3-92.469.9000111.1L109 A112 A113 T528 F534 L535 V536L109-L532 HydrophobicContact CD1-CD1 4.39Å; L109-L532 HydrophobicContact CD1-CD2 3.69Å; L109-L532 HydrophobicContact CD1-CG 3.58Å; L109-L532 HydrophobicContact CD2-CG 4.44Å; L109-L532 HydrophobicContact CG-CB 4.25Å; L109-L532 HydrophobicContact CG-CD2 3.99Å; L109-L532 HydrophobicContact CG-CG 3.73Å; A112-L532 HydrophobicContact CB-CD2 3.91Å; A113-L532 HydrophobicContact CB-CB 4.16Å; T528-L532 HydrophobicContact CG2-CD1 3.72Å; T528-L532 WeakPolarHBondContact O-CB 3.36Å; T528-L532 WeakPolarHBondContact O-CD1 3.42Å; T528-L532 PolarHBondContact O-N 3.08Å; L532-F534 PolarHBondContact O-N 3.28Å; L532-L535 PolarHBondContact O-N 3.32Å; L532-V536 WeakPolarHBondContact O-CG2 3.29Å; L532-V536 PolarHBondContact O-N 2.92Å
533S90.5Very high89.1Confident5 Ų537 Ų374%0.03520%0.203CC..Hα-helixtrans-61.1-44.6-179.7-61.10000111.6M529 V530 V536 R537M529-S533 VanDerWaalsContact O-CB 3.27Å; M529-S533 WeakPolarHBondContact O-CB 3.28Å; M529-S533 PolarHBondContact O-N 2.97Å; M529-S533 PolarHBondContact O-OG 3.15Å; V530-S533 PolarHBondContact O-N 3.42Å; S533-V536 PolarHBondContact O-N 2.96Å; S533-R537 WeakPolarHBondContact O-CB 3.39Å; S533-R537 WeakPolarHBondContact O-CG 3.48Å; S533-R537 PolarHBondContact O-N 2.91Å
534F91.2Very high90.3Very high66 Ų6635.7 Ų35.729%0.28920%0.195SC..Hα-helixtrans-57.5-49.7174171.3-120.6000112.6G486 L487 F490 V530 L532 V536 R537 V538G486-F534 WeakPolarHBondContact O-CD2 3.3Å; G486-F534 WeakPolarHBondContact O-CE2 3.49Å; L487-F534 HydrophobicContact CD2-CE2 3.99Å; L487-F534 HydrophobicContact CD2-CZ 4.05Å; F490-F534 HydrophobicContact CD2-CD2 4.13Å; F490-F534 HydrophobicContact CD2-CE2 4.43Å; F490-F534 HydrophobicContact CE2-CB 3.75Å; F490-F534 AromaticContact CE2-CD2 3.45Å; F490-F534 HydrophobicContact CE2-CD2 3.45Å; F490-F534 VanDerWaalsContact CE2-CD2 3.45Å; F490-F534 HydrophobicContact CE2-CE2 4.16Å; F490-F534 AromaticContact CE2-CG 3.71Å; F490-F534 HydrophobicContact CE2-CG 3.71Å; F490-F534 HydrophobicContact CZ-CB 3.79Å; F490-F534 HydrophobicContact CZ-CD2 4.29Å; F490-F534 HydrophobicContact CZ-CG 4.09Å; V530-F534 WeakPolarHBondContact O-CB 3.43Å; V530-F534 PolarHBondContact O-N 3.43Å; L532-F534 PolarHBondContact O-N 3.28Å; F534-V536 PolarHBondContact O-N 3.28Å; F534-R537 PolarHBondContact O-N 2.73Å; F534-V538 HydrophobicContact CD2-CG2 3.71Å; F534-V538 HydrophobicContact CE2-CG2 3.38Å; F534-V538 HydrophobicContact CG-CG2 4.5Å; F534-V538 HydrophobicContact CZ-CG2 3.91Å; F534-V538 WeakPolarHBondContact O-CG2 3.43Å; F534-V538 PolarHBondContact O-N 3.36Å
535L92.6Very high91Very high92 Ų9232.6 Ų32.648%0.48217%0.169SC..Hα-helixtrans-62.1-43.5-179.3-178.155.6000111.4L109 T531 L532 C539L109-L535 HydrophobicContact CD2-CB 4.32Å; L109-L535 HydrophobicContact CD2-CD2 3.87Å; L109-L535 HydrophobicContact CD2-CG 4.14Å; T531-L535 WeakPolarHBondContact O-CB 3.49Å; T531-L535 PolarHBondContact O-N 2.86Å; L532-L535 PolarHBondContact O-N 3.32Å; L535-C539 WeakPolarHBondContact O-CB 3.37Å; L535-C539 PolarHBondContact O-N 3.47Å; L535-C539 PolarHBondContact O-SG 3.01Å; L535-C539 VanDerWaalsContact O-SG 3.35Å
536V93.1Very high91.4Very high2 Ų229.3 Ų29.31%0.01215%0.152CC..Hα-helixtrans-63.2-47174.2178.80000111.2L109 Q110 A134 L532 S533 F534 C539 L540L109-V536 HydrophobicContact CB-CG2 3.88Å; L109-V536 HydrophobicContact CD2-CG2 3.82Å; L109-V536 HydrophobicContact CG-CG2 4.04Å; Q110-V536 HydrophobicContact CB-CG1 4.16Å; Q110-V536 HydrophobicContact CB-CG2 4.33Å; A134-V536 HydrophobicContact CB-CG1 3.9Å; L532-V536 WeakPolarHBondContact O-CG2 3.29Å; L532-V536 PolarHBondContact O-N 2.92Å; S533-V536 PolarHBondContact O-N 2.96Å; F534-V536 PolarHBondContact O-N 3.28Å; V536-C539 PolarHBondContact O-N 3.47Å; V536-L540 HydrophobicContact CG1-CD1 3.63Å; V536-L540 HydrophobicContact CG1-CG 4.13Å; V536-L540 WeakPolarHBondContact O-CB 3.44Å; V536-L540 WeakPolarHBondContact O-CG 3.35Å; V536-L540 PolarHBondContact O-N 3.5Å
537R92Very high91.8Very high13 Ų1329.6 Ų29.65%0.04915%0.153CC..Hα-helixtrans-56.8-56.1178.6-74.7169.585.782.5-2.1110.9T129 E130 A134 S533 F534 C539 L540 I541 E646T129-R537 PolarHBondContact O-NH1 3.45Å; E130-R537 VanDerWaalsContact CA-NH1 3.35Å; E130-R537 WeakPolarHBondContact O-CD 3.29Å; E130-R537 PolarHBondContact O-NH1 3.28Å; A134-R537 HydrophobicContact CB-CG 4.24Å; S533-R537 WeakPolarHBondContact O-CB 3.39Å; S533-R537 WeakPolarHBondContact O-CG 3.48Å; S533-R537 PolarHBondContact O-N 2.91Å; F534-R537 PolarHBondContact O-N 2.73Å; R537-C539 VanDerWaalsContact C-N 3.35Å; R537-C539 PolarHBondContact O-N 3.38Å; R537-L540 PolarHBondContact O-N 3.24Å; R537-I541 HydrophobicContact CB-CD1 4.31Å; R537-I541 WeakPolarHBondContact O-CB 3.24Å; R537-I541 WeakPolarHBondContact O-CD1 3.35Å; R537-I541 WeakPolarHBondContact O-CG1 3.35Å; R537-I541 PolarHBondContact O-N 3.34Å; R537-E646 IonicContact CZ-OE1 3.71Å; R537-E646 IonicContact CZ-OE2 3.57Å; R537-E646 IonicContact NH2-OE1 2.95Å; R537-E646 PolarHBondContact NH2-OE1 2.88Å; R537-E646 IonicContact NH2-OE2 2.67Å; R537-E646 PolarHBondContact NH2-OE2 3.43Å
538V92.9Very high92.1Very high34 Ų3427.5 Ų27.521%0.20614%0.142CC..Hα-helixtrans-56.7-47.8179.9172.10000110.9F534 L540 W542F534-V538 HydrophobicContact CD2-CG2 3.71Å; F534-V538 HydrophobicContact CE2-CG2 3.38Å; F534-V538 HydrophobicContact CG-CG2 4.5Å; F534-V538 HydrophobicContact CZ-CG2 3.91Å; F534-V538 WeakPolarHBondContact O-CG2 3.43Å; F534-V538 PolarHBondContact O-N 3.36Å; V538-L540 PolarHBondContact O-N 2.87Å; V538-W542 WeakPolarHBondContact O-CB 3.37Å; V538-W542 PolarHBondContact O-N 2.91Å
539C94.3Very high92.3Very high40 Ų4024.9 Ų24.927%0.2713%0.126SC..Hα-helixtrans-63.4-42.6-179.9-74.30000113.3L106 L535 V536 R537 L543L106-C539 HydrophobicContact CD1-CB 4.04Å; L106-C539 HydrophobicContact CD2-CB 3.64Å; L535-C539 WeakPolarHBondContact O-CB 3.37Å; L535-C539 PolarHBondContact O-N 3.47Å; L535-C539 PolarHBondContact O-SG 3.01Å; L535-C539 VanDerWaalsContact O-SG 3.35Å; V536-C539 PolarHBondContact O-N 3.47Å; R537-C539 VanDerWaalsContact C-N 3.35Å; R537-C539 PolarHBondContact O-N 3.38Å; C539-L543 WeakPolarHBondContact O-CB 3.44Å; C539-L543 VanDerWaalsContact O-CG 3.24Å; C539-L543 WeakPolarHBondContact O-CG 3.47Å; C539-L543 PolarHBondContact O-N 2.9Å
540L93.7Very high92.4Very high0 Ų024.9 Ų24.90%013%0.126CC..Hα-helixtrans-72.3-40.7-180-69179.3000112.7A134 L137 M138 L141 V536 R537 V538 L543 F544A134-L540 HydrophobicContact CB-CD1 4.19Å; A134-L540 VanDerWaalsContact O-CD1 3.26Å; A134-L540 WeakPolarHBondContact O-CD1 3.44Å; L137-L540 HydrophobicContact CD2-CB 3.77Å; L137-L540 HydrophobicContact CG-CB 4.11Å; M138-L540 HydrophobicContact CB-CD1 3.98Å; M138-L540 HydrophobicContact CE-CD1 4.19Å; M138-L540 HydrophobicContact CE-CD2 3.87Å; M138-L540 HydrophobicContact SD-CD2 3.81Å; L141-L540 HydrophobicContact CD2-CD2 4.22Å; V536-L540 HydrophobicContact CG1-CD1 3.63Å; V536-L540 HydrophobicContact CG1-CG 4.13Å; V536-L540 WeakPolarHBondContact O-CB 3.44Å; V536-L540 WeakPolarHBondContact O-CG 3.35Å; V536-L540 PolarHBondContact O-N 3.5Å; R537-L540 PolarHBondContact O-N 3.24Å; V538-L540 PolarHBondContact O-N 2.87Å; L540-L543 HydrophobicContact CD2-CD1 4.47Å; L540-L543 PolarHBondContact O-N 3.06Å; L540-F544 WeakPolarHBondContact O-CB 3.35Å; L540-F544 PolarHBondContact O-N 3.49Å
541I94.7Very high92.5Very high6 Ų624.9 Ų24.93%0.03113%0.126CC..Hα-helixtrans-65.6-42.6176.6-62168.7000109.5L137 L485 R537 F544 F545 W650L137-I541 HydrophobicContact CD2-CB 4.31Å; L137-I541 HydrophobicContact CD2-CG1 3.5Å; L137-I541 VanDerWaalsContact CD2-CG1 3.5Å; L485-I541 HydrophobicContact CB-CD1 3.97Å; L485-I541 HydrophobicContact CB-CG2 4.33Å; L485-I541 HydrophobicContact CD1-CG2 3.83Å; R537-I541 HydrophobicContact CB-CD1 4.31Å; R537-I541 WeakPolarHBondContact O-CB 3.24Å; R537-I541 WeakPolarHBondContact O-CD1 3.35Å; R537-I541 WeakPolarHBondContact O-CG1 3.35Å; R537-I541 PolarHBondContact O-N 3.34Å; I541-F544 PolarHBondContact O-N 3.34Å; I541-F545 HydrophobicContact CG2-CD2 3.75Å; I541-F545 HydrophobicContact CG2-CE2 3.8Å; I541-F545 WeakPolarHBondContact O-CD2 3.45Å; I541-F545 PolarHBondContact O-N 3.48Å; I541-W650 HydrophobicContact CD1-CZ2 4.2Å; I541-W650 HydrophobicContact CG1-CH2 4.16Å; I541-W650 HydrophobicContact CG1-CZ2 3.88Å; I541-W650 HydrophobicContact CG2-CH2 4.03Å; I541-W650 HydrophobicContact CG2-CZ2 4.27Å
542W94.9Very high92.6Very high99 Ų9922.4 Ų22.438%0.37511%0.111SC..Hα-helixtrans-60.1-46173.1179.876.3000112.4N479 V538 F544 F545 F546N479-W542 PolarHBondContact OD1-NE1 3.45Å; V538-W542 WeakPolarHBondContact O-CB 3.37Å; V538-W542 PolarHBondContact O-N 2.91Å; W542-F544 VanDerWaalsContact C-N 3.31Å; W542-F544 PolarHBondContact O-N 2.82Å; W542-F545 PolarHBondContact O-N 3.07Å; W542-F546 HydrophobicContact CH2-CD2 4.26Å; W542-F546 HydrophobicContact CZ2-CD2 4.14Å; W542-F546 VanDerWaalsContact O-CB 3.23Å; W542-F546 WeakPolarHBondContact O-CB 3.26Å; W542-F546 PolarHBondContact O-N 3.41Å
543L93.4Very high92.5Very high34 Ų3421.5 Ų21.518%0.17811%0.105CC..Hα-helixtrans-60.6-39.2175.9-77.3169.2000112.2L103 L106 L141 C539 L540 F546 L547L103-L543 HydrophobicContact CD2-CD1 4.32Å; L106-L543 HydrophobicContact CD1-CD1 4.24Å; L141-L543 HydrophobicContact CD2-CB 3.78Å; L141-L543 HydrophobicContact CD2-CD1 4.06Å; C539-L543 WeakPolarHBondContact O-CB 3.44Å; C539-L543 VanDerWaalsContact O-CG 3.24Å; C539-L543 WeakPolarHBondContact O-CG 3.47Å; C539-L543 PolarHBondContact O-N 2.9Å; L540-L543 HydrophobicContact CD2-CD1 4.47Å; L540-L543 PolarHBondContact O-N 3.06Å; L543-F546 WeakPolarHBondContact O-CB 3.42Å; L543-F546 PolarHBondContact O-N 2.92Å; L543-L547 PolarHBondContact O-N 3.24Å; L543-L547 VanDerWaalsContact O-N 3.07Å
544F94.8Very high92.3Very high6 Ų621.3 Ų21.33%0.02610%0.104CC..Hα-helixtrans-65.3-50.5176.3176.1-93.7000112.1L137 L140 L141 L540 I541 W542 F546 L547 L548 A616 L619 W650 L654L137-F544 HydrophobicContact CD1-CB 4.21Å; L137-F544 HydrophobicContact CD1-CD2 4.24Å; L137-F544 HydrophobicContact CD1-CG 4.25Å; L140-F544 HydrophobicContact CD2-CD2 4.14Å; L140-F544 HydrophobicContact CD2-CE2 3.84Å; L141-F544 HydrophobicContact CD1-CB 4.49Å; L540-F544 WeakPolarHBondContact O-CB 3.35Å; L540-F544 PolarHBondContact O-N 3.49Å; I541-F544 PolarHBondContact O-N 3.34Å; W542-F544 VanDerWaalsContact C-N 3.31Å; W542-F544 PolarHBondContact O-N 2.82Å; F544-F546 VanDerWaalsContact C-N 3.25Å; F544-F546 PolarHBondContact O-N 2.9Å; F544-L547 WeakPolarHBondContact O-CB 3.46Å; F544-L547 PolarHBondContact O-N 2.96Å; F544-L548 HydrophobicContact CD1-CD1 4.24Å; F544-L548 HydrophobicContact CE1-CD1 3.53Å; F544-L548 HydrophobicContact CE1-CG 4.07Å; F544-L548 HydrophobicContact CZ-CD1 3.99Å; F544-L548 HydrophobicContact CZ-CD2 4.36Å; F544-L548 HydrophobicContact CZ-CG 4.27Å; F544-L548 PolarHBondContact O-N 3.25Å; F544-L548 VanDerWaalsContact O-N 3.11Å; F544-A616 HydrophobicContact CZ-CB 4.32Å; F544-L619 HydrophobicContact CE1-CD2 4.19Å; F544-L619 HydrophobicContact CE2-CD2 3.99Å; F544-L619 HydrophobicContact CZ-CD2 3.61Å; F544-W650 HydrophobicContact CD1-CH2 4.2Å; F544-W650 AromaticContact CD1-CZ3 3.85Å; F544-W650 HydrophobicContact CD1-CZ3 3.85Å; F544-W650 AromaticContact CE1-CZ3 3.84Å; F544-W650 HydrophobicContact CE1-CZ3 3.84Å; F544-L654 HydrophobicContact CE1-CD2 3.61Å; F544-L654 HydrophobicContact CZ-CD2 3.75Å
545F94.6Very high92.1Very high1 Ų119 Ų190%0.0049%0.093CC..Hα-helixtrans-67.7-24.5176.3-79.2-72.7000113.3V481 L485 I541 W542 L548 S549 W650 F657V481-F545 HydrophobicContact CB-CE2 4.43Å; V481-F545 HydrophobicContact CB-CZ 4.39Å; V481-F545 HydrophobicContact CG1-CD2 4.34Å; V481-F545 HydrophobicContact CG1-CE1 4.17Å; V481-F545 HydrophobicContact CG1-CE2 3.61Å; V481-F545 HydrophobicContact CG1-CZ 3.52Å; L485-F545 HydrophobicContact CD1-CE2 4.03Å; I541-F545 HydrophobicContact CG2-CD2 3.75Å; I541-F545 HydrophobicContact CG2-CE2 3.8Å; I541-F545 WeakPolarHBondContact O-CD2 3.45Å; I541-F545 PolarHBondContact O-N 3.48Å; W542-F545 PolarHBondContact O-N 3.07Å; F545-L548 HydrophobicContact CD1-CD1 3.85Å; F545-L548 HydrophobicContact CE1-CD1 3.95Å; F545-L548 PolarHBondContact O-N 2.83Å; F545-S549 WeakPolarHBondContact O-CB 3.49Å; F545-S549 PolarHBondContact O-N 3.15Å; F545-S549 PolarHBondContact O-OG 3.31Å; F545-W650 HydrophobicContact CE2-CE3 4.28Å; F545-W650 HydrophobicContact CE2-CH2 4.13Å; F545-W650 AromaticContact CE2-CZ3 3.65Å; F545-W650 HydrophobicContact CE2-CZ3 3.65Å; F545-W650 HydrophobicContact CZ-CE3 4.21Å; F545-W650 AromaticContact CZ-CZ3 3.89Å; F545-W650 HydrophobicContact CZ-CZ3 3.89Å; F545-F657 HydrophobicContact CD1-CD2 4.09Å; F545-F657 AromaticContact CD1-CE2 3.53Å; F545-F657 HydrophobicContact CD1-CE2 3.53Å; F545-F657 HydrophobicContact CD1-CZ 4.19Å; F545-F657 AromaticContact CE1-CD2 3.94Å; F545-F657 HydrophobicContact CE1-CD2 3.94Å; F545-F657 AromaticContact CE1-CE2 3.76Å; F545-F657 HydrophobicContact CE1-CE2 3.76Å
546F92.9Very high92Very high21 Ų2116.2 Ų16.29%0.0928%0.077CC..Hα-helixtrans-64.6-43.2167.4175.4-91.3000111.6A8 V9 Y12 W542 L543 F544 L548 S549 V550A8-F546 HydrophobicContact CB-CE2 4.48Å; V9-F546 HydrophobicContact CB-CE2 4.43Å; V9-F546 HydrophobicContact CG2-CD2 3.97Å; V9-F546 HydrophobicContact CG2-CE2 3.44Å; V9-F546 VanDerWaalsContact CG2-CE2 3.44Å; V9-F546 HydrophobicContact CG2-CZ 4.17Å; Y12-F546 HydrophobicContact CD1-CD1 4.49Å; Y12-F546 AromaticContact CD1-CE1 3.61Å; Y12-F546 HydrophobicContact CD1-CE1 3.61Å; Y12-F546 HydrophobicContact CD1-CZ 4.31Å; Y12-F546 HydrophobicContact CE1-CE1 4.17Å; Y12-F546 AromaticContact CG-CE1 3.79Å; Y12-F546 HydrophobicContact CG-CE1 3.79Å; Y12-F546 HydrophobicContact CG-CZ 4.2Å; W542-F546 HydrophobicContact CH2-CD2 4.26Å; W542-F546 HydrophobicContact CZ2-CD2 4.14Å; W542-F546 VanDerWaalsContact O-CB 3.23Å; W542-F546 WeakPolarHBondContact O-CB 3.26Å; W542-F546 PolarHBondContact O-N 3.41Å; L543-F546 WeakPolarHBondContact O-CB 3.42Å; L543-F546 PolarHBondContact O-N 2.92Å; F544-F546 VanDerWaalsContact C-N 3.25Å; F544-F546 PolarHBondContact O-N 2.9Å; F546-L548 PolarHBondContact O-N 2.91Å; F546-S549 WeakPolarHBondContact O-CB 3.24Å; F546-S549 PolarHBondContact O-N 3.45Å; F546-V550 HydrophobicContact CD1-CG2 4.2Å; F546-V550 HydrophobicContact CE1-CG2 3.94Å; F546-V550 HydrophobicContact CZ-CG2 4.17Å; F546-V550 WeakPolarHBondContact O-CG2 3.47Å; F546-V550 PolarHBondContact O-N 3.11Å
547L91.8Very high91.7Very high13 Ų1318 Ų187%0.0689%0.086CC..Hα-helixtrans-60.8-43.3172.8-64.6-168.7000112.1Y12 L141 V144 L543 F544 S549 V550 A551 I612Y12-L547 HydrophobicContact CD1-CD2 4.46Å; Y12-L547 HydrophobicContact CE1-CD2 3.4Å; Y12-L547 VanDerWaalsContact CE1-CD2 3.4Å; L141-L547 HydrophobicContact CD1-CD1 3.49Å; L141-L547 VanDerWaalsContact CD1-CD1 3.49Å; L141-L547 HydrophobicContact CD1-CG 4.14Å; V144-L547 HydrophobicContact CG1-CD1 4.14Å; L543-L547 PolarHBondContact O-N 3.24Å; L543-L547 VanDerWaalsContact O-N 3.07Å; F544-L547 WeakPolarHBondContact O-CB 3.46Å; F544-L547 PolarHBondContact O-N 2.96Å; L547-S549 VanDerWaalsContact C-N 3.32Å; L547-S549 PolarHBondContact O-N 2.98Å; L547-V550 PolarHBondContact O-N 2.89Å; L547-A551 PolarHBondContact O-N 2.95Å; L547-I612 HydrophobicContact CB-CD1 4.36Å; L547-I612 HydrophobicContact CB-CG2 4.21Å
548L92.4Very high91.5Very high1 Ų118.9 Ų18.91%0.0059%0.089CC..Hα-helixtrans-62.9-38.2175.5-62.8-173.1000112.3F544 F545 F546 A551 E552 I612 A616 L654 F657 F661F544-L548 HydrophobicContact CD1-CD1 4.24Å; F544-L548 HydrophobicContact CE1-CD1 3.53Å; F544-L548 HydrophobicContact CE1-CG 4.07Å; F544-L548 HydrophobicContact CZ-CD1 3.99Å; F544-L548 HydrophobicContact CZ-CD2 4.36Å; F544-L548 HydrophobicContact CZ-CG 4.27Å; F544-L548 PolarHBondContact O-N 3.25Å; F544-L548 VanDerWaalsContact O-N 3.11Å; F545-L548 HydrophobicContact CD1-CD1 3.85Å; F545-L548 HydrophobicContact CE1-CD1 3.95Å; F545-L548 PolarHBondContact O-N 2.83Å; F546-L548 PolarHBondContact O-N 2.91Å; L548-A551 WeakPolarHBondContact O-CB 3.23Å; L548-A551 PolarHBondContact O-N 3.47Å; L548-E552 PolarHBondContact O-N 2.66Å; L548-I612 HydrophobicContact CD2-CG2 4.05Å; L548-A616 HydrophobicContact CD2-CB 3.69Å; L548-L654 HydrophobicContact CD1-CD2 4.25Å; L548-F657 HydrophobicContact CB-CD1 3.81Å; L548-F657 HydrophobicContact CB-CE1 3.8Å; L548-F657 HydrophobicContact CB-CG 4.23Å; L548-F657 HydrophobicContact CB-CZ 4.22Å; L548-F657 HydrophobicContact CD1-CB 4.21Å; L548-F657 HydrophobicContact CD1-CD1 4.39Å; L548-F657 HydrophobicContact CD1-CD2 3.98Å; L548-F657 HydrophobicContact CD1-CE2 4.44Å; L548-F657 HydrophobicContact CD1-CG 3.95Å; L548-F661 HydrophobicContact CB-CZ 4.38Å; L548-F661 HydrophobicContact CD2-CE2 4.21Å; L548-F661 HydrophobicContact CD2-CZ 4.23Å
549S91.8Very high91.1Very high3 Ų317.7 Ų17.72%0.0218%0.081CC..Hα-helixtrans-66.2-38.4175.6-61.20000112.5Q475 F545 F546 L547 E552 R553Q475-S549 WeakPolarHBondContact CA-OG 3.41Å; F545-S549 WeakPolarHBondContact O-CB 3.49Å; F545-S549 PolarHBondContact O-N 3.15Å; F545-S549 PolarHBondContact O-OG 3.31Å; F546-S549 WeakPolarHBondContact O-CB 3.24Å; F546-S549 PolarHBondContact O-N 3.45Å; L547-S549 VanDerWaalsContact C-N 3.32Å; L547-S549 PolarHBondContact O-N 2.98Å; S549-E552 PolarHBondContact O-N 2.91Å; S549-R553 PolarHBondContact O-N 3.34Å; S549-R553 VanDerWaalsContact O-N 3.1Å
550V90.8Very high90.8Very high1 Ų117.3 Ų17.31%0.0068%0.076CC..Hα-helixtrans-63.6-44.7172.9173.70000110V9 Y12 Q13 F546 L547 R553 T554V9-V550 HydrophobicContact CG1-CG2 3.87Å; Y12-V550 HydrophobicContact CD1-CB 4.45Å; Y12-V550 HydrophobicContact CD1-CG1 4.14Å; Y12-V550 HydrophobicContact CD1-CG2 3.76Å; Y12-V550 HydrophobicContact CE1-CG2 4.49Å; Q13-V550 HydrophobicContact CB-CG1 4.22Å; F546-V550 HydrophobicContact CD1-CG2 4.2Å; F546-V550 HydrophobicContact CE1-CG2 3.94Å; F546-V550 HydrophobicContact CZ-CG2 4.17Å; F546-V550 WeakPolarHBondContact O-CG2 3.47Å; F546-V550 PolarHBondContact O-N 3.11Å; L547-V550 PolarHBondContact O-N 2.89Å; V550-R553 PolarHBondContact O-N 2.89Å; V550-T554 WeakPolarHBondContact O-CG2 3.33Å; V550-T554 PolarHBondContact O-N 2.89Å
551A90.6Very high90.5Very high0 Ų017.6 Ų17.60%08%0.077CC..Hα-helixtrans-58.3-48.3174.100000111.6L547 L548 R553 T554 Y555 V609 I612 V613 F661L547-A551 PolarHBondContact O-N 2.95Å; L548-A551 WeakPolarHBondContact O-CB 3.23Å; L548-A551 PolarHBondContact O-N 3.47Å; A551-R553 VanDerWaalsContact C-N 3.31Å; A551-R553 PolarHBondContact O-N 3.11Å; A551-T554 PolarHBondContact O-N 3.15Å; A551-T554 PolarHBondContact O-OG1 3.49Å; A551-Y555 WeakPolarHBondContact O-CD2 3.37Å; A551-Y555 PolarHBondContact O-N 3.19Å; A551-V609 HydrophobicContact CB-CG1 4.13Å; A551-I612 HydrophobicContact CB-CG2 4.13Å; A551-V613 HydrophobicContact CB-CG2 4.45Å; A551-F661 HydrophobicContact CB-CE1 3.92Å; A551-F661 HydrophobicContact CB-CZ 4Å
552E91.1Very high90.1Very high3 Ų317.3 Ų17.31%0.0148%0.076CC..Hα-helixtrans-59.3-39.5179.9-159.2-90.7163.500112Y474 L548 S549 Y555 K556 R660 F661 L664Y474-E552 HydrophobicContact CD1-CG 4.44Å; Y474-E552 HydrophobicContact CD2-CG 4.1Å; Y474-E552 VanDerWaalsContact CD2-OE1 3.3Å; Y474-E552 WeakPolarHBondContact CD2-OE1 3.32Å; Y474-E552 HydrophobicContact CG-CG 3.93Å; L548-E552 PolarHBondContact O-N 2.66Å; S549-E552 PolarHBondContact O-N 2.91Å; E552-Y555 PolarHBondContact O-N 3.07Å; E552-K556 VanDerWaalsContact CD-NZ 3.31Å; E552-K556 PolarHBondContact O-N 2.91Å; E552-K556 WeakPolarHBondContact OE1-CE 3.03Å; E552-K556 IonicContact OE1-NZ 3.38Å; E552-K556 PolarHBondContact OE1-NZ 2.86Å; E552-K556 VanDerWaalsContact OE1-NZ 3.15Å; E552-K556 WeakPolarHBondContact OE2-CD 3.21Å; E552-K556 WeakPolarHBondContact OE2-CE 3.3Å; E552-K556 IonicContact OE2-NZ 3.49Å; E552-K556 PolarHBondContact OE2-NZ 2.98Å; E552-R660 HydrophobicContact CG-CG 3.82Å; E552-R660 IonicContact OE1-CZ 3.61Å; E552-R660 IonicContact OE1-NE 3.48Å; E552-R660 PolarHBondContact OE1-NE 3.18Å; E552-R660 IonicContact OE1-NH2 3.57Å; E552-R660 PolarHBondContact OE1-NH2 3.11Å; E552-F661 HydrophobicContact CB-CE1 4.01Å; E552-L664 HydrophobicContact CG-CD1 4.12Å
553R87.9Confident89.8Confident11 Ų1115.9 Ų15.94%0.0427%0.073CC..Hα-helixtrans-65.4-39.1172.5-69.7-157.1-167-176.92.4113.4K6 V9 P470 S549 V550 A551 K556 Q557K6-R553 PolarHBondContact O-NH1 3.12Å; V9-R553 HydrophobicContact CG1-CG 4.3Å; P470-R553 HydrophobicContact CG-CG 4.47Å; S549-R553 PolarHBondContact O-N 3.34Å; S549-R553 VanDerWaalsContact O-N 3.1Å; V550-R553 PolarHBondContact O-N 2.89Å; A551-R553 VanDerWaalsContact C-N 3.31Å; A551-R553 PolarHBondContact O-N 3.11Å; R553-K556 WeakPolarHBondContact O-CB 3.46Å; R553-K556 PolarHBondContact O-N 3.2Å; R553-Q557 WeakPolarHBondContact O-CB 3.49Å; R553-Q557 PolarHBondContact O-N 3.11Å
554T87.5Confident89.5Confident1 Ų115.2 Ų15.21%0.0067%0.069CC..Hα-helixtrans-67.7-36.3176.463.30000112.6Q13 V550 A551 Q557 R558 P605 V609Q13-T554 HydrophobicContact CG-CG2 3.8Å; V550-T554 WeakPolarHBondContact O-CG2 3.33Å; V550-T554 PolarHBondContact O-N 2.89Å; A551-T554 PolarHBondContact O-N 3.15Å; A551-T554 PolarHBondContact O-OG1 3.49Å; T554-Q557 WeakPolarHBondContact O-CB 3.44Å; T554-Q557 PolarHBondContact O-N 3.43Å; T554-R558 PolarHBondContact O-N 2.94Å; T554-P605 HydrophobicContact CG2-CG 3.79Å; T554-V609 HydrophobicContact CG2-CG2 3.96Å; T554-V609 VanDerWaalsContact OG1-CG2 3.24Å; T554-V609 WeakPolarHBondContact OG1-CG2 3.47Å
555Y87.4Confident89.1Confident19 Ų1915.1 Ų15.18%0.0757%0.068CC..Hα-helixtrans-67.4-42.1172.7-81.6-76.2000112A551 E552 Q557 R558 L559 V609 V613 F661A551-Y555 WeakPolarHBondContact O-CD2 3.37Å; A551-Y555 PolarHBondContact O-N 3.19Å; E552-Y555 PolarHBondContact O-N 3.07Å; Y555-Q557 VanDerWaalsContact C-N 3.27Å; Y555-Q557 PolarHBondContact O-N 2.95Å; Y555-R558 PolarHBondContact O-N 2.74Å; Y555-L559 WeakPolarHBondContact O-CB 3.45Å; Y555-L559 PolarHBondContact O-N 2.99Å; Y555-V609 HydrophobicContact CD2-CG1 4.01Å; Y555-V609 HydrophobicContact CE2-CG1 3.36Å; Y555-V613 HydrophobicContact CE2-CG2 3.82Å; Y555-F661 AromaticContact CD2-CD1 3.84Å; Y555-F661 HydrophobicContact CD2-CD1 3.84Å; Y555-F661 HydrophobicContact CD2-CE1 4.46Å; Y555-F661 HydrophobicContact CE2-CB 4.47Å; Y555-F661 HydrophobicContact CE2-CD1 4.12Å; Y555-F661 HydrophobicContact CE2-CG 4.43Å
556K88.6Confident88.6Confident33 Ų3315.5 Ų15.514%0.1437%0.073CC..Hα-helixtrans-53.6-44.1168.1-81.4170.3165.2154.40111.4P470 G471 E552 R553 L559 L560 L664P470-K556 HydrophobicContact CB-CD 4.09Å; G471-K556 PolarHBondContact O-NZ 3.43Å; E552-K556 VanDerWaalsContact CD-NZ 3.31Å; E552-K556 PolarHBondContact O-N 2.91Å; E552-K556 WeakPolarHBondContact OE1-CE 3.03Å; E552-K556 IonicContact OE1-NZ 3.38Å; E552-K556 PolarHBondContact OE1-NZ 2.86Å; E552-K556 VanDerWaalsContact OE1-NZ 3.15Å; E552-K556 WeakPolarHBondContact OE2-CD 3.21Å; E552-K556 WeakPolarHBondContact OE2-CE 3.3Å; E552-K556 IonicContact OE2-NZ 3.49Å; E552-K556 PolarHBondContact OE2-NZ 2.98Å; R553-K556 WeakPolarHBondContact O-CB 3.46Å; R553-K556 PolarHBondContact O-N 3.2Å; K556-L559 PolarHBondContact O-N 3.2Å; K556-L560 VanDerWaalsContact O-CG 3.31Å; K556-L560 WeakPolarHBondContact O-CG 3.45Å; K556-L560 PolarHBondContact O-N 2.67Å; K556-L664 HydrophobicContact CG-CD1 4.44Å
557Q88.1Confident88.2Confident40 Ų4017 Ų1719%0.1878%0.08CC..Hα-helixtrans-64-44.9179.4-157.3-175.89.900112.2V465 R553 T554 Y555 L559 L560 F561V465-Q557 HydrophobicContact CG1-CG 3.41Å; V465-Q557 VanDerWaalsContact CG1-CG 3.41Å; R553-Q557 WeakPolarHBondContact O-CB 3.49Å; R553-Q557 PolarHBondContact O-N 3.11Å; T554-Q557 WeakPolarHBondContact O-CB 3.44Å; T554-Q557 PolarHBondContact O-N 3.43Å; Y555-Q557 VanDerWaalsContact C-N 3.27Å; Y555-Q557 PolarHBondContact O-N 2.95Å; Q557-L559 VanDerWaalsContact C-N 3.33Å; Q557-L559 PolarHBondContact O-N 3.14Å; Q557-L560 WeakPolarHBondContact O-CB 3.42Å; Q557-L560 PolarHBondContact O-N 3.05Å; Q557-F561 HydrophobicContact CG-CD2 4.34Å; Q557-F561 HydrophobicContact CG-CE2 3.84Å; Q557-F561 WeakPolarHBondContact O-CD2 3.39Å; Q557-F561 PolarHBondContact O-N 2.71Å
558R86.4Confident88Confident31 Ų3116.3 Ų16.312%0.1178%0.077CC..Hα-helixtrans-61-40.3174-70.7-175.5-170.8132.533.7112.5T554 Y555 L560 F561 A562 P605 T668T554-R558 PolarHBondContact O-N 2.94Å; Y555-R558 PolarHBondContact O-N 2.74Å; R558-L560 VanDerWaalsContact C-N 3.31Å; R558-L560 PolarHBondContact O-N 2.94Å; R558-F561 PolarHBondContact O-N 2.92Å; R558-A562 PolarHBondContact O-N 2.92Å; R558-P605 PolarHBondContact NH2-O 3.39Å; R558-T668 HydrophobicContact CB-CG2 4.17Å
559L86.3Confident87.6Confident8 Ų816.7 Ų16.74%0.0428%0.079CC..Hα-helixtrans-64.9-34.8176.2-178.657000112.1Y555 K556 Q557 A562 K563 L664 E667 T668 K671Y555-L559 WeakPolarHBondContact O-CB 3.45Å; Y555-L559 PolarHBondContact O-N 2.99Å; K556-L559 PolarHBondContact O-N 3.2Å; Q557-L559 VanDerWaalsContact C-N 3.33Å; Q557-L559 PolarHBondContact O-N 3.14Å; L559-A562 PolarHBondContact O-N 3.34Å; L559-K563 HydrophobicContact CD1-CD 4.35Å; L559-K563 HydrophobicContact CG-CD 4.11Å; L559-K563 WeakPolarHBondContact O-CB 3.45Å; L559-K563 VanDerWaalsContact O-CG 3.24Å; L559-K563 WeakPolarHBondContact O-CG 3.44Å; L559-K563 PolarHBondContact O-N 3.46Å; L559-L664 HydrophobicContact CD2-CD2 3.63Å; L559-E667 HydrophobicContact CD1-CB 3.77Å; L559-E667 HydrophobicContact CD2-CB 4.36Å; L559-E667 WeakPolarHBondContact CD2-OE2 3.46Å; L559-T668 WeakPolarHBondContact CA-OG1 3.2Å; L559-T668 WeakPolarHBondContact CB-OG1 3.37Å; L559-K671 HydrophobicContact CD1-CG 4.15Å
560L87.1Confident87.2Confident32 Ų3218.4 Ų18.417%0.1689%0.091CC..Hα-helixtrans-69.1-43.6173.8-70.9161.1000112V465 Y468 K556 Q557 R558 A562 K563 L564V465-L560 HydrophobicContact CG2-CB 4.3Å; Y468-L560 HydrophobicContact CD1-CD1 3.29Å; Y468-L560 HydrophobicContact CD1-CD2 4.08Å; Y468-L560 HydrophobicContact CD1-CG 4.33Å; Y468-L560 HydrophobicContact CD2-CD2 4.43Å; Y468-L560 HydrophobicContact CE1-CD1 3.68Å; Y468-L560 HydrophobicContact CE1-CD2 4.09Å; Y468-L560 HydrophobicContact CE1-CG 4.49Å; Y468-L560 HydrophobicContact CE2-CD2 4.45Å; Y468-L560 HydrophobicContact CG-CD1 3.98Å; Y468-L560 HydrophobicContact CG-CD2 4.24Å; K556-L560 VanDerWaalsContact O-CG 3.31Å; K556-L560 WeakPolarHBondContact O-CG 3.45Å; K556-L560 PolarHBondContact O-N 2.67Å; Q557-L560 WeakPolarHBondContact O-CB 3.42Å; Q557-L560 PolarHBondContact O-N 3.05Å; R558-L560 VanDerWaalsContact C-N 3.31Å; R558-L560 PolarHBondContact O-N 2.94Å; L560-A562 VanDerWaalsContact C-N 3.3Å; L560-A562 PolarHBondContact O-N 2.89Å; L560-K563 PolarHBondContact O-N 3.42Å; L560-L564 WeakPolarHBondContact O-CG 3.43Å; L560-L564 PolarHBondContact O-N 2.92Å
561F87.9Confident86.6Confident6 Ų620.3 Ų20.33%0.02611%0.107CC..Hα-helixtrans-55.8-45170.9-75.1-63.8000111.5I461 M462 V465 Q557 R558 L564 F565 L600I461-F561 HydrophobicContact CG2-CD1 3.81Å; I461-F561 HydrophobicContact CG2-CE1 4.19Å; M462-F561 HydrophobicContact CE-CE1 4.28Å; M462-F561 HydrophobicContact CE-CZ 3.67Å; M462-F561 HydrophobicContact SD-CE1 4.48Å; M462-F561 HydrophobicContact SD-CZ 3.94Å; V465-F561 HydrophobicContact CB-CE1 4.04Å; V465-F561 HydrophobicContact CB-CZ 4.06Å; V465-F561 HydrophobicContact CG1-CE1 4.27Å; V465-F561 HydrophobicContact CG1-CE2 4Å; V465-F561 HydrophobicContact CG1-CZ 3.82Å; V465-F561 HydrophobicContact CG2-CD1 3.74Å; V465-F561 HydrophobicContact CG2-CE1 3.66Å; V465-F561 HydrophobicContact CG2-CG 4.22Å; V465-F561 HydrophobicContact CG2-CZ 4.08Å; Q557-F561 HydrophobicContact CG-CD2 4.34Å; Q557-F561 HydrophobicContact CG-CE2 3.84Å; Q557-F561 WeakPolarHBondContact O-CD2 3.39Å; Q557-F561 PolarHBondContact O-N 2.71Å; R558-F561 PolarHBondContact O-N 2.92Å; F561-L564 PolarHBondContact O-N 3.36Å; F561-F565 VanDerWaalsContact O-CB 3.24Å; F561-F565 WeakPolarHBondContact O-CB 3.26Å; F561-F565 PolarHBondContact O-N 3.45Å; F561-L600 HydrophobicContact CD1-CD2 3.92Å; F561-L600 HydrophobicContact CE1-CD2 4.37Å
562A86.2Confident86.2Confident0 Ų031.3 Ų31.30%015%0.148CC..Hα-helixtrans-66.6-36.417800000113.2R558 L559 L560 G566 T668 K671 Y672R558-A562 PolarHBondContact O-N 2.92Å; L559-A562 PolarHBondContact O-N 3.34Å; L560-A562 VanDerWaalsContact C-N 3.3Å; L560-A562 PolarHBondContact O-N 2.89Å; A562-G566 PolarHBondContact O-N 3.37Å; A562-T668 HydrophobicContact CB-CG2 4.15Å; A562-K671 HydrophobicContact CB-CB 3.59Å; A562-K671 HydrophobicContact CB-CG 4.48Å; A562-Y672 HydrophobicContact CB-CD1 4.48Å; A562-Y672 HydrophobicContact CB-CD2 3.78Å; A562-Y672 HydrophobicContact CB-CE1 4.23Å; A562-Y672 HydrophobicContact CB-CE2 3.51Å; A562-Y672 HydrophobicContact CB-CG 4.27Å
563K88.5Confident85.8Confident70 Ų7037.8 Ų37.830%0.30417%0.173SC..Hα-helixtrans-66-50.4174.6-77.4167.2179.4171.20111.2L559 L560 G566 H567 E667 K671L559-K563 HydrophobicContact CD1-CD 4.35Å; L559-K563 HydrophobicContact CG-CD 4.11Å; L559-K563 WeakPolarHBondContact O-CB 3.45Å; L559-K563 VanDerWaalsContact O-CG 3.24Å; L559-K563 WeakPolarHBondContact O-CG 3.44Å; L559-K563 PolarHBondContact O-N 3.46Å; L560-K563 PolarHBondContact O-N 3.42Å; K563-G566 CarbonylContact O-C 3.59Å; K563-G566 WeakPolarHBondContact O-CA 3.34Å; K563-G566 PolarHBondContact O-N 2.75Å; K563-G566 VanDerWaalsContact O-N 3.16Å; K563-H567 PolarHBondContact O-CD2 3.5Å; K563-H567 PolarHBondContact O-N 2.97Å; K563-E667 IonicContact NZ-OE2 2.7Å; K563-K671 HydrophobicContact CG-CD 4.29Å; K563-K671 HydrophobicContact CG-CG 4.44Å
564L86.3Confident85.5Confident19 Ų1937.3 Ų37.310%0.09917%0.171CC..Hα-helixtrans-65.9-39.1179.3-67.7170.2000112.6I461 R464 V465 L560 F561 G566 H567 L568 V579I461-L564 HydrophobicContact CG2-CB 4.08Å; I461-L564 HydrophobicContact CG2-CD1 4.07Å; R464-L564 HydrophobicContact CB-CD1 4.19Å; V465-L564 HydrophobicContact CG2-CD1 3.5Å; L560-L564 WeakPolarHBondContact O-CG 3.43Å; L560-L564 PolarHBondContact O-N 2.92Å; F561-L564 PolarHBondContact O-N 3.36Å; L564-G566 VanDerWaalsContact C-N 3.26Å; L564-G566 PolarHBondContact O-N 3.34Å; L564-H567 WeakPolarHBondContact O-CB 3.48Å; L564-H567 PolarHBondContact O-N 3.4Å; L564-L568 PolarHBondContact O-N 2.87Å; L564-V579 HydrophobicContact CD2-CG1 4.04Å
565F86.6Confident85.3Confident4 Ų443.5 Ų43.52%0.01819%0.194CC..Hα-helixtrans-56.4-42171.2176.5-103.4000111.8F561 H567 L568 W593 L596 R597 L600 Y672F561-F565 VanDerWaalsContact O-CB 3.24Å; F561-F565 WeakPolarHBondContact O-CB 3.26Å; F561-F565 PolarHBondContact O-N 3.45Å; F565-H567 PolarHBondContact O-N 2.92Å; F565-L568 HydrophobicContact CD2-CD1 3.89Å; F565-L568 HydrophobicContact CE2-CD1 4.49Å; F565-L568 PolarHBondContact O-N 3.02Å; F565-W593 AromaticContact CE1-CE2 3.8Å; F565-W593 HydrophobicContact CE1-CH2 4.37Å; F565-W593 AromaticContact CE1-CZ2 3.62Å; F565-W593 HydrophobicContact CE1-CZ2 3.62Å; F565-W593 AromaticContact CE1-NE1 3.89Å; F565-W593 HydrophobicContact CE2-CG 4.48Å; F565-W593 AromaticContact CE2-NE1 3.86Å; F565-W593 AromaticContact CZ-CD1 3.85Å; F565-W593 AromaticContact CZ-CD2 3.85Å; F565-W593 HydrophobicContact CZ-CD2 3.85Å; F565-W593 AromaticContact CZ-CE2 3.3Å; F565-W593 HydrophobicContact CZ-CG 4.17Å; F565-W593 HydrophobicContact CZ-CH2 4.32Å; F565-W593 AromaticContact CZ-CZ2 3.59Å; F565-W593 HydrophobicContact CZ-CZ2 3.59Å; F565-W593 AromaticContact CZ-NE1 3.3Å; F565-W593 VanDerWaalsContact CZ-NE1 3.3Å; F565-L596 HydrophobicContact CD2-CD2 4.42Å; F565-L596 HydrophobicContact CD2-CG 4.36Å; F565-L596 HydrophobicContact CE2-CD2 4.48Å; F565-L596 HydrophobicContact CE2-CG 4.36Å; F565-R597 HydrophobicContact CE1-CB 4.12Å; F565-R597 HydrophobicContact CE1-CG 3.9Å; F565-R597 HydrophobicContact CE2-CB 3.86Å; F565-R597 HydrophobicContact CZ-CB 3.46Å; F565-R597 VanDerWaalsContact CZ-CB 3.46Å; F565-R597 HydrophobicContact CZ-CG 3.78Å; F565-L600 HydrophobicContact CB-CD1 4.12Å; F565-L600 HydrophobicContact CD2-CD1 3.95Å; F565-L600 HydrophobicContact CG-CD1 4.41Å; F565-Y672 HydrophobicContact CB-CE1 4.24Å; F565-Y672 AromaticContact CD1-CD1 3.86Å; F565-Y672 HydrophobicContact CD1-CD1 3.86Å; F565-Y672 AromaticContact CD1-CE1 3.89Å; F565-Y672 HydrophobicContact CD1-CE1 3.89Å; F565-Y672 HydrophobicContact CE1-CD1 4.26Å; F565-Y672 HydrophobicContact CG-CE1 4.11Å
566G83.6Confident85.1Confident10 Ų1051.9 Ų51.910%0.10323%0.231CC..THydrogen-bonded Turntrans-71.2-2.5173.400000115.6A562 K563 L564A562-G566 PolarHBondContact O-N 3.37Å; K563-G566 CarbonylContact O-C 3.59Å; K563-G566 WeakPolarHBondContact O-CA 3.34Å; K563-G566 PolarHBondContact O-N 2.75Å; K563-G566 VanDerWaalsContact O-N 3.16Å; L564-G566 VanDerWaalsContact C-N 3.26Å; L564-G566 PolarHBondContact O-N 3.34Å
567H86.3Confident84.6Confident51 Ų5151.4 Ų51.424%0.23623%0.232CC..THydrogen-bonded Turntrans-95.5-28.3173.2-65.4-175.5000112.5K563 L564 F565 T569 S570 R573 S577 V579K563-H567 PolarHBondContact O-CD2 3.5Å; K563-H567 PolarHBondContact O-N 2.97Å; L564-H567 WeakPolarHBondContact O-CB 3.48Å; L564-H567 PolarHBondContact O-N 3.4Å; F565-H567 PolarHBondContact O-N 2.92Å; H567-T569 PolarHBondContact O-N 2.86Å; H567-T569 VanDerWaalsContact O-N 3.13Å; H567-S570 PolarHBondContact O-N 3.46Å; H567-R573 HydrophobicContact CB-CB 3.92Å; H567-S577 PolarHBondContact ND1-OG 2.87Å; H567-V579 HydrophobicContact CB-CG2 4.01Å
568L85.8Confident84.3Confident0 Ų053.9 Ų53.90%024%0.244CC..THydrogen-bonded Turntrans-54-35.9-176.1-57.5172.7000113.5I457 I461 L564 F565 V579 P580 H581 F582 L596I457-L568 HydrophobicContact CG2-CD1 4.49Å; I457-L568 HydrophobicContact CG2-CD2 4.44Å; I461-L568 HydrophobicContact CD1-CD1 3.92Å; I461-L568 HydrophobicContact CD1-CD2 4.02Å; I461-L568 HydrophobicContact CD1-CG 4.45Å; I461-L568 HydrophobicContact CG1-CD2 4.41Å; L564-L568 PolarHBondContact O-N 2.87Å; F565-L568 HydrophobicContact CD2-CD1 3.89Å; F565-L568 HydrophobicContact CE2-CD1 4.49Å; F565-L568 PolarHBondContact O-N 3.02Å; L568-V579 HydrophobicContact CD2-CB 4.01Å; L568-V579 HydrophobicContact CD2-CG2 4.08Å; L568-P580 HydrophobicContact CD2-CG 4.32Å; L568-P580 VanDerWaalsContact CD2-O 3.27Å; L568-P580 WeakPolarHBondContact CD2-O 3.29Å; L568-H581 WeakPolarHBondContact O-CA 3.45Å; L568-H581 PolarHBondContact O-ND1 2.94Å; L568-F582 HydrophobicContact CB-CD1 4.44Å; L568-F582 HydrophobicContact CB-CE1 4.13Å; L568-F582 HydrophobicContact CD1-CE1 4.26Å; L568-F582 PolarHBondContact O-N 3.39Å; L568-L596 HydrophobicContact CD1-CD2 3.46Å; L568-L596 VanDerWaalsContact CD1-CD2 3.46Å
569T84.1Confident84.3Confident8 Ų852.4 Ų52.45%0.04924%0.238CC..THydrogen-bonded Turntrans-84.3-4.2179.751.60000114.3H567 H581 F582 L584 I677H567-T569 PolarHBondContact O-N 2.86Å; H567-T569 VanDerWaalsContact O-N 3.13Å; T569-H581 VanDerWaalsContact C-CE1 3.5Å; T569-H581 PolarHBondContact O-CE1 3.34Å; T569-H581 VanDerWaalsContact O-CE1 3.32Å; T569-F582 WeakPolarHBondContact CA-O 3.37Å; T569-L584 HydrophobicContact CG2-CG 4.48Å; T569-I677 HydrophobicContact CG2-CG2 4.16Å; T569-I677 WeakPolarHBondContact OG1-CG2 3.47Å
570S83.2Confident84.1Confident39 Ų3952 Ų5227%0.27324%0.236SC..  trans-125.899.8-172.6-175.40000111.8H567 R572 R573 A574H567-S570 PolarHBondContact O-N 3.46Å; S570-R572 VanDerWaalsContact C-N 3.3Å; S570-R572 PolarHBondContact O-N 3.3Å; S570-R572 VanDerWaalsContact O-N 3.11Å; S570-R573 PolarHBondContact O-N 3.43Å; S570-A574 WeakPolarHBondContact O-CB 3.13Å; S570-A574 PolarHBondContact O-N 2.98Å
571A78.9Confident84.1Confident41 Ų4151.2 Ų51.234%0.33923%0.231SC..Hα-helixtrans-46-46.1-174.800000114.8R573 A574 R575A571-R573 PolarHBondContact O-N 2.95Å; A571-A574 PolarHBondContact O-N 3.3Å; A571-R575 PolarHBondContact O-N 3.3Å
572R82Confident84Confident231 Ų23151.2 Ų51.287%0.87223%0.231SC*.Hα-helixtrans-63.5-39.4178.9-67.9-174.4179.8-179.8-0.4112.5S570 K576S570-R572 VanDerWaalsContact C-N 3.3Å; S570-R572 PolarHBondContact O-N 3.3Å; S570-R572 VanDerWaalsContact O-N 3.11Å; R572-K576 PolarHBondContact O-N 2.73Å
573R83.6Confident83.8Confident140 Ų14054.2 Ų54.253%0.52824%0.243SC..Hα-helixtrans-77-37.1177.8-62.3-177.2179.2158.21.2111.8H567 S570 A571 K576 S577H567-R573 HydrophobicContact CB-CB 3.92Å; S570-R573 PolarHBondContact O-N 3.43Å; A571-R573 PolarHBondContact O-N 2.95Å; R573-K576 PolarHBondContact O-N 3.12Å; R573-S577 PolarHBondContact O-N 3.35Å; R573-S577 VanDerWaalsContact O-N 3.09Å; R573-S577 PolarHBondContact O-OG 3.49Å
574A81.9Confident83.4Confident0 Ų050.9 Ų50.90%023%0.228CC..Hα-helixtrans-58.7-48.1174.800000111.3S570 A571 S577 E578 V579 H581S570-A574 WeakPolarHBondContact O-CB 3.13Å; S570-A574 PolarHBondContact O-N 2.98Å; A571-A574 PolarHBondContact O-N 3.3Å; A574-S577 CarbonylContact O-C 3.56Å; A574-S577 PolarHBondContact O-N 3.08Å; A574-E578 WeakPolarHBondContact O-CA 3.18Å; A574-E578 PolarHBondContact O-N 3.28Å; A574-V579 HydrophobicContact CB-CG2 4.26Å; A574-V579 PolarHBondContact O-N 3.37Å; A574-V579 VanDerWaalsContact O-N 3.15Å; A574-H581 HydrophobicContact CB-CB 3.73Å
575R82.2Confident83.2Confident131 Ų13153.9 Ų53.949%0.49424%0.24SC..Hα-helixtrans-60-50.8173.4-168.7179-179.3-161.12.1111.8W442 N445 A571 S577 E578W442-R575 HydrophobicContact CD2-CB 3.99Å; W442-R575 HydrophobicContact CD2-CG 4.03Å; W442-R575 HydrophobicContact CE3-CB 4.23Å; W442-R575 HydrophobicContact CE3-CG 3.9Å; W442-R575 HydrophobicContact CH2-CB 4.27Å; W442-R575 HydrophobicContact CZ2-CB 4.03Å; W442-R575 HydrophobicContact CZ3-CB 4.35Å; W442-R575 HydrophobicContact CZ3-CG 4.17Å; N445-R575 PolarHBondContact OD1-NH2 2.73Å; A571-R575 PolarHBondContact O-N 3.3Å; R575-S577 PolarHBondContact O-N 3.07Å; R575-E578 PolarHBondContact O-N 2.93Å; R575-E578 VanDerWaalsContact O-N 3.15Å
576K83.4Confident83.1Confident195 Ų19558.3 Ų58.385%0.84826%0.259SS*.Hα-helixtrans-65.5-6.5179.4-176.2159.9-177.7166.30114.9R572 R573R572-K576 PolarHBondContact O-N 2.73Å; R573-K576 PolarHBondContact O-N 3.12Å
577S79.1Confident82.9Confident24 Ų2459.9 Ų59.917%0.16827%0.267CS..THydrogen-bonded Turntrans-128.711.6173.951.10000113.7H567 R573 A574 R575 V579H567-S577 PolarHBondContact ND1-OG 2.87Å; R573-S577 PolarHBondContact O-N 3.35Å; R573-S577 VanDerWaalsContact O-N 3.09Å; R573-S577 PolarHBondContact O-OG 3.49Å; A574-S577 CarbonylContact O-C 3.56Å; A574-S577 PolarHBondContact O-N 3.08Å; R575-S577 PolarHBondContact O-N 3.07Å; S577-V579 PolarHBondContact O-N 3.41Å; S577-V579 VanDerWaalsContact O-N 3.17Å
578E81.4Confident82.5Confident92 Ų9262 Ų6243%0.4328%0.277SS..THydrogen-bonded Turntrans45.145.6178.2-60.7166.8-127.900113.7R464 A574 R575R464-E578 IonicContact CZ-OE2 2.83Å; R464-E578 PolarHBondContact NE-O 2.96Å; R464-E578 IonicContact NH1-OE1 3.83Å; R464-E578 IonicContact NH1-OE2 2.69Å; R464-E578 PolarHBondContact NH1-OE2 2.84Å; R464-E578 IonicContact NH2-OE2 2.96Å; R464-E578 PolarHBondContact NH2-OE2 3.07Å; A574-E578 WeakPolarHBondContact O-CA 3.18Å; A574-E578 PolarHBondContact O-N 3.28Å; R575-E578 PolarHBondContact O-N 2.93Å; R575-E578 VanDerWaalsContact O-N 3.15Å
579V84.9Confident82.5Confident0 Ų062.6 Ų62.60%028%0.28CS..  trans-111.4149.9173.5-67.70000110.8W442 I461 R464 L564 H567 L568 A574 S577 H581W442-V579 VanDerWaalsContact CD1-O 3.27Å; W442-V579 PolarHBondContact NE1-O 2.88Å; I461-V579 HydrophobicContact CG1-CG1 4.43Å; R464-V579 HydrophobicContact CG-CG1 4.24Å; L564-V579 HydrophobicContact CD2-CG1 4.04Å; H567-V579 HydrophobicContact CB-CG2 4.01Å; L568-V579 HydrophobicContact CD2-CB 4.01Å; L568-V579 HydrophobicContact CD2-CG2 4.08Å; A574-V579 HydrophobicContact CB-CG2 4.26Å; A574-V579 PolarHBondContact O-N 3.37Å; A574-V579 VanDerWaalsContact O-N 3.15Å; S577-V579 PolarHBondContact O-N 3.41Å; S577-V579 VanDerWaalsContact O-N 3.17Å; V579-H581 PolarHBondContact O-N 3.4Å
580P83.8Confident82.4Confident0 Ų062.2 Ų62.20%028%0.278CS..  trans-63.5130.2-177.324.1-34000112.1A439 I440 V441 M452 I457 M460 L568A439-P580 HydrophobicContact CB-CB 3.98Å; I440-P580 CarbonylContact O-C 3.52Å; I440-P580 WeakPolarHBondContact O-CA 3.35Å; V441-P580 HydrophobicContact CG2-CB 4.39Å; M452-P580 HydrophobicContact SD-CB 3.92Å; M452-P580 HydrophobicContact SD-CG 4.31Å; I457-P580 HydrophobicContact CB-CG 4.42Å; I457-P580 HydrophobicContact CG1-CG 4.17Å; I457-P580 HydrophobicContact CG2-CG 3.96Å; M460-P580 HydrophobicContact SD-CB 4.44Å; M460-P580 HydrophobicContact SD-CG 3.95Å; L568-P580 HydrophobicContact CD2-CG 4.32Å; L568-P580 VanDerWaalsContact CD2-O 3.27Å; L568-P580 WeakPolarHBondContact CD2-O 3.29Å
581H86Confident82.4Confident15 Ų1560.8 Ų60.87%0.06927%0.267CS..BIsolated β-bridgetrans-90.7128175.9178.741.7000111.6A439 I440 W442 L568 T569 A574 V579A439-H581 CarbonylContact C-O 3.6Å; A439-H581 WeakPolarHBondContact CA-O 3.33Å; I440-H581 HydrophobicContact CB-CB 4.37Å; I440-H581 PolarHBondContact N-O 3.27Å; I440-H581 PolarHBondContact O-N 3.3Å; W442-H581 HydrophobicContact CZ2-CB 4.47Å; L568-H581 WeakPolarHBondContact O-CA 3.45Å; L568-H581 PolarHBondContact O-ND1 2.94Å; T569-H581 VanDerWaalsContact C-CE1 3.5Å; T569-H581 PolarHBondContact O-CE1 3.34Å; T569-H581 VanDerWaalsContact O-CE1 3.32Å; A574-H581 HydrophobicContact CB-CB 3.73Å; V579-H581 PolarHBondContact O-N 3.4Å
582F85.8Confident82.6Confident5 Ų558.9 Ų58.92%0.02225%0.251CS..  trans-138.2158.8163.871.4-84.3000111.7V437 A439 I457 L568 T569 L584 N589 M592 W593V437-F582 HydrophobicContact CG1-CB 4.5Å; V437-F582 HydrophobicContact CG1-CD2 4.33Å; A439-F582 HydrophobicContact CB-CB 4.27Å; I457-F582 HydrophobicContact CD1-CE1 4.41Å; L568-F582 HydrophobicContact CB-CD1 4.44Å; L568-F582 HydrophobicContact CB-CE1 4.13Å; L568-F582 HydrophobicContact CD1-CE1 4.26Å; L568-F582 PolarHBondContact O-N 3.39Å; T569-F582 WeakPolarHBondContact CA-O 3.37Å; F582-L584 HydrophobicContact CD2-CD2 4.41Å; F582-L584 HydrophobicContact CE2-CD2 3.95Å; F582-N589 HydrophobicContact CD2-CB 4.43Å; F582-M592 HydrophobicContact CE2-CG 4.29Å; F582-M592 HydrophobicContact CZ-CG 4.17Å; F582-W593 HydrophobicContact CE2-CB 4.05Å; F582-W593 HydrophobicContact CZ-CB 4.11Å
583R81.4Confident82.8Confident64 Ų6448.3 Ų48.324%0.24221%0.211CC..  trans-116151.1-179.9-71.2-75.7-151.3137.315.2110.4K585 N589 E681 N684R583-K585 HydrophobicContact CB-CD 3.81Å; R583-K585 HydrophobicContact CB-CG 3.89Å; R583-K585 PolarHBondContact O-N 2.9Å; R583-N589 PolarHBondContact O-ND2 3.05Å; R583-E681 WeakPolarHBondContact CD-OE1 3.48Å; R583-E681 WeakPolarHBondContact CD-OE2 3.46Å; R583-E681 IonicContact CZ-OE1 3.82Å; R583-E681 IonicContact NE-OE1 2.73Å; R583-E681 IonicContact NH1-OE1 2.66Å; R583-E681 PolarHBondContact NH1-OE1 2.73Å; R583-N684 PolarHBondContact NH1-ND2 3.44Å; R583-N684 PolarHBondContact NH1-OD1 3.32Å; R583-N684 PolarHBondContact NH2-OD1 2.91Å
584L81.9Confident82.7Confident0 Ų042 Ų420%019%0.187CC..  trans-82.450.8-176.9-54.6-172.3000111.9T569 F582 I590 W593 L678 E681 V702 L706T569-L584 HydrophobicContact CG2-CG 4.48Å; F582-L584 HydrophobicContact CD2-CD2 4.41Å; F582-L584 HydrophobicContact CE2-CD2 3.95Å; L584-I590 HydrophobicContact CB-CG1 4.08Å; L584-W593 HydrophobicContact CD1-CD2 4.33Å; L584-W593 HydrophobicContact CD1-CG 4.37Å; L584-W593 HydrophobicContact CD2-CB 3.64Å; L584-W593 HydrophobicContact CD2-CG 3.81Å; L584-L678 HydrophobicContact CD1-CD2 4.15Å; L584-E681 HydrophobicContact CB-CB 4.29Å; L584-E681 HydrophobicContact CB-CG 4.15Å; L584-E681 HydrophobicContact CD1-CB 4.36Å; L584-E681 HydrophobicContact CD1-CG 4.01Å; L584-E681 HydrophobicContact CG-CG 3.97Å; L584-E681 PolarHBondContact N-OE2 2.96Å; L584-V702 WeakPolarHBondContact O-CG1 3.45Å; L584-L706 HydrophobicContact CD1-CD1 3.84Å
585K81.3Confident82.6Confident82 Ų8242 Ų4236%0.35719%0.188SC..  trans-91.63.6-172.8-70.3172.5-179.6175.10114.6R583 K688R583-K585 HydrophobicContact CB-CD 3.81Å; R583-K585 HydrophobicContact CB-CG 3.89Å; R583-K585 PolarHBondContact O-N 2.9Å; K585-K688 HydrophobicContact CD-CD 4.4Å
586K84.1Confident82.7Confident96 Ų9635.8 Ų35.842%0.41717%0.165SC..SBendtrans-148.4155.9179.2-74-173.3168.4-168.10109.7Q588 N589 I590K586-Q588 VanDerWaalsContact C-N 3.33Å; K586-Q588 PolarHBondContact O-N 2.95Å; K586-N589 HydrophobicContact CB-CB 4.36Å; K586-N589 WeakPolarHBondContact O-CB 3.32Å; K586-N589 PolarHBondContact O-N 3.15Å; K586-N589 VanDerWaalsContact O-N 3.11Å; K586-I590 PolarHBondContact O-N 2.68Å
587V79.8Confident82.8Confident43 Ų4326.9 Ų26.926%0.26113%0.126SC..Hα-helixtrans-60.2-42.9173.9178.90000111.2N589 I590 K591 L701 V702 V705V587-N589 VanDerWaalsContact C-N 3.27Å; V587-N589 PolarHBondContact O-N 2.76Å; V587-I590 WeakPolarHBondContact O-CB 3.26Å; V587-I590 PolarHBondContact O-N 3.38Å; V587-K591 PolarHBondContact O-N 3.45Å; V587-L701 HydrophobicContact CG2-CG 4.38Å; V587-V702 HydrophobicContact CG2-CG2 3.93Å; V587-V705 HydrophobicContact CG1-CG1 4.42Å; V587-V705 HydrophobicContact CG2-CG2 4.32Å
588Q78.6Confident82.6Confident95 Ų9526.1 Ų26.144%0.44412%0.12SC..Hα-helixtrans-53.5-42172.7-69.4167.8-27.100112.4K586 I590 K591 M592K586-Q588 VanDerWaalsContact C-N 3.33Å; K586-Q588 PolarHBondContact O-N 2.95Å; Q588-I590 VanDerWaalsContact C-N 3.34Å; Q588-I590 PolarHBondContact O-N 3.23Å; Q588-K591 PolarHBondContact O-N 3.46Å; Q588-M592 VanDerWaalsContact O-CB 3.28Å; Q588-M592 WeakPolarHBondContact O-CB 3.46Å; Q588-M592 PolarHBondContact O-N 2.9Å
589N84.4Confident82.4Confident14 Ų1422 Ų228%0.07510%0.101CC..Hα-helixtrans-69-32.4178.6-63.530.7000111.9V437 F582 R583 K586 V587 W593V437-N589 HydrophobicContact CG1-CB 4.41Å; F582-N589 HydrophobicContact CD2-CB 4.43Å; R583-N589 PolarHBondContact O-ND2 3.05Å; K586-N589 HydrophobicContact CB-CB 4.36Å; K586-N589 WeakPolarHBondContact O-CB 3.32Å; K586-N589 PolarHBondContact O-N 3.15Å; K586-N589 VanDerWaalsContact O-N 3.11Å; V587-N589 VanDerWaalsContact C-N 3.27Å; V587-N589 PolarHBondContact O-N 2.76Å; N589-W593 VanDerWaalsContact O-CB 3.3Å; N589-W593 WeakPolarHBondContact O-CB 3.46Å; N589-W593 PolarHBondContact O-N 2.88Å
590I82.4Confident82.2Confident0 Ų022.2 Ų22.20%010%0.102CC..Hα-helixtrans-69.5-44.3173.1-63.3170.2000110.1L584 K586 V587 Q588 W593 L594 V702 V705 L706 A709L584-I590 HydrophobicContact CB-CG1 4.08Å; K586-I590 PolarHBondContact O-N 2.68Å; V587-I590 WeakPolarHBondContact O-CB 3.26Å; V587-I590 PolarHBondContact O-N 3.38Å; Q588-I590 VanDerWaalsContact C-N 3.34Å; Q588-I590 PolarHBondContact O-N 3.23Å; I590-W593 WeakPolarHBondContact O-CB 3.24Å; I590-W593 PolarHBondContact O-N 3.41Å; I590-W593 VanDerWaalsContact O-N 3.13Å; I590-L594 HydrophobicContact CG2-CD1 3.86Å; I590-L594 HydrophobicContact CG2-CG 4.25Å; I590-L594 VanDerWaalsContact O-CG 3.32Å; I590-L594 WeakPolarHBondContact O-CG 3.29Å; I590-L594 PolarHBondContact O-N 3Å; I590-V702 HydrophobicContact CD1-CG1 3.89Å; I590-V705 HydrophobicContact CD1-CB 4.45Å; I590-V705 HydrophobicContact CD1-CG1 4.12Å; I590-V705 HydrophobicContact CG2-CG1 4.33Å; I590-L706 HydrophobicContact CD1-CB 3.89Å; I590-L706 HydrophobicContact CD1-CD1 4.11Å; I590-L706 HydrophobicContact CG1-CD1 4.29Å; I590-A709 HydrophobicContact CG2-CB 4.42Å
591K82.6Confident81.9Confident9 Ų925.8 Ų25.84%0.03912%0.117CC..Hα-helixtrans-64.8-41.1178.6-169170.1163.9-152.50112.3P48 L50 I51 E435 V587 Q588 L594 S595P48-K591 PolarHBondContact O-NZ 3.06Å; L50-K591 WeakPolarHBondContact O-CE 3.42Å; L50-K591 PolarHBondContact O-NZ 3.04Å; L50-K591 VanDerWaalsContact O-NZ 3.08Å; I51-K591 HydrophobicContact CG1-CB 4.29Å; I51-K591 HydrophobicContact CG1-CD 3.91Å; I51-K591 HydrophobicContact CG1-CG 4.09Å; E435-K591 WeakPolarHBondContact OE1-CD 3.34Å; E435-K591 WeakPolarHBondContact OE1-CE 3.26Å; E435-K591 IonicContact OE1-NZ 3.55Å; E435-K591 PolarHBondContact OE1-NZ 2.9Å; E435-K591 IonicContact OE2-NZ 3.36Å; V587-K591 PolarHBondContact O-N 3.45Å; Q588-K591 PolarHBondContact O-N 3.46Å; K591-L594 PolarHBondContact O-N 3.36Å; K591-S595 WeakPolarHBondContact O-CB 3.37Å; K591-S595 PolarHBondContact O-N 3.11Å; K591-S595 PolarHBondContact O-OG 2.94Å
592M83.1Confident81.3Confident1 Ų128.1 Ų28.11%0.00513%0.125CC..Hα-helixtrans-56.7-45.9166.8174.165.466.900112.2E435 V437 V454 I457 F582 Q588 S595 L596E435-M592 WeakPolarHBondContact O-CE 3.45Å; V437-M592 HydrophobicContact CB-CE 3.99Å; V437-M592 HydrophobicContact CB-CG 4.16Å; V437-M592 HydrophobicContact CG2-CB 3.8Å; V437-M592 HydrophobicContact CG2-CE 3.72Å; V437-M592 HydrophobicContact CG2-CG 3.9Å; V454-M592 HydrophobicContact CB-SD 4.08Å; V454-M592 HydrophobicContact CG2-CE 3.9Å; V454-M592 HydrophobicContact CG2-SD 3.48Å; V454-M592 WeakPolarHBondContact CG2-SD 3.5Å; I457-M592 HydrophobicContact CD1-SD 4.09Å; F582-M592 HydrophobicContact CE2-CG 4.29Å; F582-M592 HydrophobicContact CZ-CG 4.17Å; Q588-M592 VanDerWaalsContact O-CB 3.28Å; Q588-M592 WeakPolarHBondContact O-CB 3.46Å; Q588-M592 PolarHBondContact O-N 2.9Å; M592-S595 PolarHBondContact O-OG 3.34Å; M592-L596 WeakPolarHBondContact O-CB 3.19Å; M592-L596 PolarHBondContact O-N 3.37Å
593W86.3Confident80.6Confident8 Ų828.8 Ų28.83%0.0313%0.128CC..Hα-helixtrans-66.9-41.9179.5-174.985.9000112.8F565 F582 L584 N589 I590 R597 L678 L713F565-W593 AromaticContact CE1-CE2 3.8Å; F565-W593 HydrophobicContact CE1-CH2 4.37Å; F565-W593 AromaticContact CE1-CZ2 3.62Å; F565-W593 HydrophobicContact CE1-CZ2 3.62Å; F565-W593 AromaticContact CE1-NE1 3.89Å; F565-W593 HydrophobicContact CE2-CG 4.48Å; F565-W593 AromaticContact CE2-NE1 3.86Å; F565-W593 AromaticContact CZ-CD1 3.85Å; F565-W593 AromaticContact CZ-CD2 3.85Å; F565-W593 HydrophobicContact CZ-CD2 3.85Å; F565-W593 AromaticContact CZ-CE2 3.3Å; F565-W593 HydrophobicContact CZ-CG 4.17Å; F565-W593 HydrophobicContact CZ-CH2 4.32Å; F565-W593 AromaticContact CZ-CZ2 3.59Å; F565-W593 HydrophobicContact CZ-CZ2 3.59Å; F565-W593 AromaticContact CZ-NE1 3.3Å; F565-W593 VanDerWaalsContact CZ-NE1 3.3Å; F582-W593 HydrophobicContact CE2-CB 4.05Å; F582-W593 HydrophobicContact CZ-CB 4.11Å; L584-W593 HydrophobicContact CD1-CD2 4.33Å; L584-W593 HydrophobicContact CD1-CG 4.37Å; L584-W593 HydrophobicContact CD2-CB 3.64Å; L584-W593 HydrophobicContact CD2-CG 3.81Å; N589-W593 VanDerWaalsContact O-CB 3.3Å; N589-W593 WeakPolarHBondContact O-CB 3.46Å; N589-W593 PolarHBondContact O-N 2.88Å; I590-W593 WeakPolarHBondContact O-CB 3.24Å; I590-W593 PolarHBondContact O-N 3.41Å; I590-W593 VanDerWaalsContact O-N 3.13Å; W593-R597 VanDerWaalsContact O-CB 3.29Å; W593-R597 WeakPolarHBondContact O-CB 3.26Å; W593-R597 PolarHBondContact O-N 3.1Å; W593-L678 HydrophobicContact CE3-CD2 4.43Å; W593-L678 HydrophobicContact CH2-CD1 4.21Å; W593-L678 HydrophobicContact CH2-CD2 3.69Å; W593-L678 HydrophobicContact CH2-CG 4.16Å; W593-L678 HydrophobicContact CZ2-CD2 4.2Å; W593-L678 HydrophobicContact CZ3-CD2 3.81Å; W593-L713 HydrophobicContact CH2-CD2 3.81Å; W593-L713 HydrophobicContact CZ3-CD2 3.82Å
594L82.3Confident80.2Confident7 Ų726.9 Ų26.94%0.03713%0.128CC..Hα-helixtrans-69.1-42.3178.5-67.7171.2000112.3V56 I590 K591 R597 S598 A709 L713V56-L594 HydrophobicContact CG1-CB 4.33Å; V56-L594 HydrophobicContact CG1-CD1 4.32Å; V56-L594 HydrophobicContact CG1-CD2 3.93Å; V56-L594 HydrophobicContact CG1-CG 4.42Å; V56-L594 HydrophobicContact CG2-CB 4.13Å; V56-L594 HydrophobicContact CG2-CD1 3.97Å; I590-L594 HydrophobicContact CG2-CD1 3.86Å; I590-L594 HydrophobicContact CG2-CG 4.25Å; I590-L594 VanDerWaalsContact O-CG 3.32Å; I590-L594 WeakPolarHBondContact O-CG 3.29Å; I590-L594 PolarHBondContact O-N 3Å; K591-L594 PolarHBondContact O-N 3.36Å; L594-R597 WeakPolarHBondContact O-CB 3.33Å; L594-R597 PolarHBondContact O-N 2.87Å; L594-S598 WeakPolarHBondContact O-CB 3.48Å; L594-S598 PolarHBondContact O-N 3.4Å; L594-A709 HydrophobicContact CD1-CB 4.15Å; L594-A709 HydrophobicContact CD2-CB 4.48Å; L594-L713 HydrophobicContact CD2-CD1 3.64Å
595S80.5Confident79.8Confident2 Ų227.3 Ų27.31%0.01413%0.131CC..Hα-helixtrans-66.1-43.6176.557.90000111.9K591 M592 S598 Y599K591-S595 WeakPolarHBondContact O-CB 3.37Å; K591-S595 PolarHBondContact O-N 3.11Å; K591-S595 PolarHBondContact O-OG 2.94Å; M592-S595 PolarHBondContact O-OG 3.34Å; S595-S598 PolarHBondContact O-N 2.89Å; S595-Y599 WeakPolarHBondContact O-CB 3.26Å; S595-Y599 PolarHBondContact O-N 3.05Å
596L84.3Confident79.6Confident0 Ų024.5 Ų24.50%012%0.119CC..Hα-helixtrans-62.6-41.1173.6-17663.6000112.2V454 I457 I461 F565 L568 M592 S598 L600V454-L596 HydrophobicContact CG1-CB 4.21Å; V454-L596 HydrophobicContact CG1-CD1 4.16Å; I457-L596 HydrophobicContact CB-CD2 4.49Å; I457-L596 HydrophobicContact CG2-CD1 4.37Å; I457-L596 HydrophobicContact CG2-CD2 3.56Å; I461-L596 HydrophobicContact CD1-CD2 4.41Å; F565-L596 HydrophobicContact CD2-CD2 4.42Å; F565-L596 HydrophobicContact CD2-CG 4.36Å; F565-L596 HydrophobicContact CE2-CD2 4.48Å; F565-L596 HydrophobicContact CE2-CG 4.36Å; L568-L596 HydrophobicContact CD1-CD2 3.46Å; L568-L596 VanDerWaalsContact CD1-CD2 3.46Å; M592-L596 WeakPolarHBondContact O-CB 3.19Å; M592-L596 PolarHBondContact O-N 3.37Å; L596-S598 PolarHBondContact O-N 2.95Å; L596-L600 HydrophobicContact CD1-CD1 3.91Å; L596-L600 HydrophobicContact CD1-CG 4.05Å; L596-L600 HydrophobicContact CG-CD1 3.91Å; L596-L600 HydrophobicContact CG-CG 4.38Å; L596-L600 WeakPolarHBondContact O-CB 3.27Å; L596-L600 VanDerWaalsContact O-CG 3.29Å; L596-L600 WeakPolarHBondContact O-CG 3.11Å; L596-L600 PolarHBondContact O-N 3.32Å
597R83.9Confident79.2Confident8 Ų821.4 Ų21.43%0.0311%0.105CC..Hα-helixtrans-56.4-50.4173-172.5-174.5-176.8-103.7-2.4111.2F565 W593 L594 L600 K601 Y672 D717F565-R597 HydrophobicContact CE1-CB 4.12Å; F565-R597 HydrophobicContact CE1-CG 3.9Å; F565-R597 HydrophobicContact CE2-CB 3.86Å; F565-R597 HydrophobicContact CZ-CB 3.46Å; F565-R597 VanDerWaalsContact CZ-CB 3.46Å; F565-R597 HydrophobicContact CZ-CG 3.78Å; W593-R597 VanDerWaalsContact O-CB 3.29Å; W593-R597 WeakPolarHBondContact O-CB 3.26Å; W593-R597 PolarHBondContact O-N 3.1Å; L594-R597 WeakPolarHBondContact O-CB 3.33Å; L594-R597 PolarHBondContact O-N 2.87Å; R597-L600 PolarHBondContact O-N 2.89Å; R597-K601 WeakPolarHBondContact O-CB 3.43Å; R597-K601 PolarHBondContact O-N 3.23Å; R597-Y672 HydrophobicContact CG-CD1 4.17Å; R597-Y672 PolarHBondContact NE-O 3.02Å; R597-Y672 PolarHBondContact NH2-O 3.39Å; R597-D717 IonicContact CZ-OD1 3.84Å; R597-D717 IonicContact CZ-OD2 3.06Å; R597-D717 IonicContact NH1-OD1 2.76Å; R597-D717 IonicContact NH2-OD1 2.7Å; R597-D717 PolarHBondContact NH2-OD1 3.49Å; R597-D717 IonicContact NH2-OD2 3.17Å; R597-D717 PolarHBondContact NH2-OD2 3.27Å
598S75.7Confident79.4Confident7 Ų719.5 Ų19.55%0.0499%0.093CC..Hα-helixtrans-62.8-44.7-176.7-1720000111.8L55 G58 L594 S595 L596 R602L55-S598 WeakPolarHBondContact O-CB 3.43Å; L55-S598 PolarHBondContact O-OG 3.39Å; G58-S598 WeakPolarHBondContact CA-OG 3.13Å; L594-S598 WeakPolarHBondContact O-CB 3.48Å; L594-S598 PolarHBondContact O-N 3.4Å; S595-S598 PolarHBondContact O-N 2.89Å; L596-S598 PolarHBondContact O-N 2.95Å; S598-R602 PolarHBondContact O-N 3.19Å
599Y78.3Confident79.8Confident6 Ų615 Ų152%0.0247%0.072CC..Hα-helixtrans-61.2-52.4174.3-179.5-96000112.2W24 V28 F61 L455 S458 S595 K601 R602 R603W24-Y599 AromaticContact CZ3-CD2 3.97Å; W24-Y599 HydrophobicContact CZ3-CD2 3.97Å; W24-Y599 AromaticContact CZ3-CE2 3.75Å; W24-Y599 HydrophobicContact CZ3-CE2 3.75Å; V28-Y599 HydrophobicContact CG1-CE2 4.25Å; V28-Y599 WeakPolarHBondContact CG1-OH 3.27Å; F61-Y599 HydrophobicContact CD1-CD2 4.47Å; F61-Y599 AromaticContact CE1-CD2 3.86Å; F61-Y599 HydrophobicContact CE1-CD2 3.86Å; F61-Y599 AromaticContact CZ-CD2 3.96Å; F61-Y599 HydrophobicContact CZ-CD2 3.96Å; L455-Y599 HydrophobicContact CD2-CE2 4.47Å; S458-Y599 WeakPolarHBondContact OG-CE1 3.44Å; S595-Y599 WeakPolarHBondContact O-CB 3.26Å; S595-Y599 PolarHBondContact O-N 3.05Å; Y599-K601 PolarHBondContact O-N 3.47Å; Y599-R602 PolarHBondContact O-N 2.99Å; Y599-R603 PolarHBondContact O-N 3.32Å; Y599-R603 PolarHBondContact OH-NE 2.86Å; Y599-R603 PolarHBondContact OH-NH1 3.46Å; Y599-R603 PolarHBondContact OH-NH2 3.43Å
600L80.8Confident79.8Confident4 Ų415.2 Ų15.22%0.0217%0.073CC..Hα-helixtrans-69.2-28.2-178.9-66.3176.5000113.6I461 F561 F565 L596 R597 R602 Y672I461-L600 HydrophobicContact CD1-CD1 3.89Å; F561-L600 HydrophobicContact CD1-CD2 3.92Å; F561-L600 HydrophobicContact CE1-CD2 4.37Å; F565-L600 HydrophobicContact CB-CD1 4.12Å; F565-L600 HydrophobicContact CD2-CD1 3.95Å; F565-L600 HydrophobicContact CG-CD1 4.41Å; L596-L600 HydrophobicContact CD1-CD1 3.91Å; L596-L600 HydrophobicContact CD1-CG 4.05Å; L596-L600 HydrophobicContact CG-CD1 3.91Å; L596-L600 HydrophobicContact CG-CG 4.38Å; L596-L600 WeakPolarHBondContact O-CB 3.27Å; L596-L600 VanDerWaalsContact O-CG 3.29Å; L596-L600 WeakPolarHBondContact O-CG 3.11Å; L596-L600 PolarHBondContact O-N 3.32Å; R597-L600 PolarHBondContact O-N 2.89Å; L600-R602 VanDerWaalsContact C-N 3.25Å; L600-R602 PolarHBondContact O-N 2.86Å; L600-Y672 VanDerWaalsContact C-OH 3.27Å; L600-Y672 WeakPolarHBondContact CB-OH 3.34Å; L600-Y672 PolarHBondContact O-OH 3.02Å; L600-Y672 VanDerWaalsContact O-OH 3.1Å
601K77.5Confident79.9Confident75 Ų7516 Ų1633%0.3268%0.078SC..Hα-helixtrans-69.7-21174.6-169.7175.1-179.2-174.30112.5R597 Y599 Y672 D717R597-K601 WeakPolarHBondContact O-CB 3.43Å; R597-K601 PolarHBondContact O-N 3.23Å; Y599-K601 PolarHBondContact O-N 3.47Å; K601-Y672 HydrophobicContact CB-CE2 4.3Å; K601-Y672 HydrophobicContact CG-CD2 4.31Å; K601-Y672 HydrophobicContact CG-CE2 4.37Å; K601-D717 IonicContact NZ-OD1 2.73Å; K601-D717 PolarHBondContact NZ-OD1 3.2Å
602R71.4Confident80.3Confident64 Ų6415.7 Ų15.724%0.2428%0.077CC..Hα-helixtrans-114.2-10.5-175-68.3176.1173.2-122.56.5115.4R57 G58 F61 S598 Y599 L600R57-R602 PolarHBondContact O-NH2 3.41Å; G58-R602 VanDerWaalsContact C-NH2 3.28Å; G58-R602 PolarHBondContact O-NE 3.22Å; G58-R602 PolarHBondContact O-NH1 3.13Å; G58-R602 PolarHBondContact O-NH2 2.83Å; F61-R602 PolarHBondContact O-NH1 3.05Å; S598-R602 PolarHBondContact O-N 3.19Å; Y599-R602 PolarHBondContact O-N 2.99Å; L600-R602 VanDerWaalsContact C-N 3.25Å; L600-R602 PolarHBondContact O-N 2.86Å
603R71.6Confident80.6Confident20 Ų2016.5 Ų16.58%0.0758%0.082CC..  trans-69.1134.3-179.5-162.3171.6-169.8166.98111.6E32 M462 Y599E32-R603 VanDerWaalsContact CD-NH2 3.31Å; E32-R603 IonicContact OE1-CZ 2.81Å; E32-R603 IonicContact OE1-NH1 2.66Å; E32-R603 PolarHBondContact OE1-NH1 3.04Å; E32-R603 IonicContact OE1-NH2 2.67Å; E32-R603 PolarHBondContact OE1-NH2 3.32Å; E32-R603 IonicContact OE2-CZ 3.36Å; E32-R603 IonicContact OE2-NH2 3.54Å; E32-R603 PolarHBondContact OE2-NH2 2.95Å; M462-R603 HydrophobicContact CE-CG 4.46Å; M462-R603 VanDerWaalsContact CE-NE 3.27Å; Y599-R603 PolarHBondContact O-N 3.32Å; Y599-R603 PolarHBondContact OH-NE 2.86Å; Y599-R603 PolarHBondContact OH-NH1 3.46Å; Y599-R603 PolarHBondContact OH-NH2 3.43Å
604G73.1Confident80.6Confident23 Ų2316.8 Ų16.824%0.2379%0.085CC..SBendtrans102.2180171.900000115.4K63 Q606K63-G604 PolarHBondContact NZ-O 2.97Å; G604-Q606 PolarHBondContact O-N 3.44Å
605P74.4Confident80.9Confident9 Ų917.1 Ų17.16%0.0589%0.088CC..  trans-74.781.5-16827.5-34.8000113I16 D20 T554 R558 V609I16-P605 HydrophobicContact CG2-CB 3.73Å; D20-P605 VanDerWaalsContact OD2-CA 3.27Å; D20-P605 WeakPolarHBondContact OD2-CA 3.36Å; T554-P605 HydrophobicContact CG2-CG 3.79Å; R558-P605 PolarHBondContact NH2-O 3.39Å; P605-V609 HydrophobicContact CB-CG2 4.47Å; P605-V609 WeakPolarHBondContact O-CB 3.35Å; P605-V609 WeakPolarHBondContact O-CG2 3.45Å
606Q76.6Confident81.4Confident24 Ų2417 Ų1711%0.1129%0.087CC..Hα-helixtrans-82.1-62.7-176.3-175.6155.116.900111.9D20 G604 S608 V609 D610 Y723D20-Q606 PolarHBondContact OD2-N 3.37Å; G604-Q606 PolarHBondContact O-N 3.44Å; Q606-S608 VanDerWaalsContact C-N 3.27Å; Q606-S608 PolarHBondContact O-N 2.93Å; Q606-V609 PolarHBondContact O-N 3.18Å; Q606-D610 VanDerWaalsContact CG-OD2 3.23Å; Q606-D610 WeakPolarHBondContact CG-OD2 3.44Å; Q606-D610 PolarHBondContact O-N 3.44Å; Q606-Y723 PolarHBondContact NE2-OH 3.46Å
607R76.3Confident81.6Confident31 Ų3118.9 Ų18.912%0.11710%0.095CC..Hα-helixtrans-58.8-39-172.1174.3178.5152.9-178.2-12.7112.7D20 A64 S150 T151 D610 V611D20-R607 WeakPolarHBondContact OD1-CB 3.33Å; D20-R607 PolarHBondContact OD2-N 3.09Å; A64-R607 PolarHBondContact O-NH1 3.33Å; S150-R607 PolarHBondContact O-NH2 3.38Å; T151-R607 VanDerWaalsContact CG2-CZ 3.41Å; R607-D610 PolarHBondContact O-N 2.94Å; R607-V611 WeakPolarHBondContact O-CB 3.41Å; R607-V611 VanDerWaalsContact O-CG2 3.3Å; R607-V611 WeakPolarHBondContact O-CG2 3.48Å; R607-V611 PolarHBondContact O-N 3.46Å
608S83.9Confident81.8Confident3 Ų322.2 Ų22.22%0.02111%0.113CC..Hα-helixtrans-68.5-36.8179.446.20000113.2I16 Q606 I612I16-S608 WeakPolarHBondContact CG2-OG 3.37Å; Q606-S608 VanDerWaalsContact C-N 3.27Å; Q606-S608 PolarHBondContact O-N 2.93Å; S608-I612 WeakPolarHBondContact O-CG1 3.45Å; S608-I612 PolarHBondContact O-N 3.49Å; S608-I612 VanDerWaalsContact O-N 3.08Å
609V86.8Confident82.5Confident0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-73.4-39.1174.3170.60000110.7A551 T554 Y555 P605 Q606 V611 I612 V613A551-V609 HydrophobicContact CB-CG1 4.13Å; T554-V609 HydrophobicContact CG2-CG2 3.96Å; T554-V609 VanDerWaalsContact OG1-CG2 3.24Å; T554-V609 WeakPolarHBondContact OG1-CG2 3.47Å; Y555-V609 HydrophobicContact CD2-CG1 4.01Å; Y555-V609 HydrophobicContact CE2-CG1 3.36Å; P605-V609 HydrophobicContact CB-CG2 4.47Å; P605-V609 WeakPolarHBondContact O-CB 3.35Å; P605-V609 WeakPolarHBondContact O-CG2 3.45Å; Q606-V609 PolarHBondContact O-N 3.18Å; V609-V611 VanDerWaalsContact C-N 3.28Å; V609-V611 PolarHBondContact O-N 2.68Å; V609-I612 PolarHBondContact O-N 3Å; V609-V613 HydrophobicContact CG1-CG2 4.43Å; V609-V613 WeakPolarHBondContact O-CG2 3.27Å; V609-V613 PolarHBondContact O-N 2.91Å
610D83.4Confident83.1Confident18 Ų1823.5 Ų23.510%0.09612%0.12CC..Hα-helixtrans-62.6-36.6174.4-58.5-18.6000111Q606 R607 S614 Y723Q606-D610 VanDerWaalsContact CG-OD2 3.23Å; Q606-D610 WeakPolarHBondContact CG-OD2 3.44Å; Q606-D610 PolarHBondContact O-N 3.44Å; R607-D610 PolarHBondContact O-N 2.94Å; D610-S614 VanDerWaalsContact O-CB 3.29Å; D610-S614 WeakPolarHBondContact O-CB 3.33Å; D610-S614 PolarHBondContact O-N 2.91Å; D610-S614 PolarHBondContact O-OG 3.04Å; D610-Y723 WeakPolarHBondContact OD2-CD1 3.36Å
611V85.3Confident83.3Confident18 Ų1825.1 Ų25.111%0.10913%0.129CC..Hα-helixtrans-63.7-47170.5162.70000111.8V144 Q147 I148 R607 V609 S614 S615V144-V611 HydrophobicContact CG1-CG1 4.24Å; Q147-V611 HydrophobicContact CB-CG1 3.83Å; Q147-V611 HydrophobicContact CB-CG2 4.36Å; I148-V611 HydrophobicContact CG1-CB 4.43Å; I148-V611 HydrophobicContact CG1-CG1 3.98Å; R607-V611 WeakPolarHBondContact O-CB 3.41Å; R607-V611 VanDerWaalsContact O-CG2 3.3Å; R607-V611 WeakPolarHBondContact O-CG2 3.48Å; R607-V611 PolarHBondContact O-N 3.46Å; V609-V611 VanDerWaalsContact C-N 3.28Å; V609-V611 PolarHBondContact O-N 2.68Å; V611-S614 WeakPolarHBondContact CA-OG 3.49Å; V611-S614 PolarHBondContact O-OG 2.87Å; V611-S615 WeakPolarHBondContact O-CB 3.39Å; V611-S615 PolarHBondContact O-N 2.9Å; V611-S615 PolarHBondContact O-OG 2.97Å
612I90.4Very high83.8Confident2 Ų224 Ų241%0.0113%0.131CC..Hα-helixtrans-59.8-50.9176.9-68.6164.6000110.4I16 V144 I148 L547 L548 A551 S608 V609 S614 S615 A616I16-I612 HydrophobicContact CD1-CD1 4.1Å; V144-I612 HydrophobicContact CG1-CG1 4.19Å; I148-I612 HydrophobicContact CD1-CD1 4.04Å; I148-I612 HydrophobicContact CD1-CG1 3.9Å; L547-I612 HydrophobicContact CB-CD1 4.36Å; L547-I612 HydrophobicContact CB-CG2 4.21Å; L548-I612 HydrophobicContact CD2-CG2 4.05Å; A551-I612 HydrophobicContact CB-CG2 4.13Å; S608-I612 WeakPolarHBondContact O-CG1 3.45Å; S608-I612 PolarHBondContact O-N 3.49Å; S608-I612 VanDerWaalsContact O-N 3.08Å; V609-I612 PolarHBondContact O-N 3Å; I612-S614 PolarHBondContact O-N 3.42Å; I612-S615 PolarHBondContact O-N 3.24Å; I612-S615 PolarHBondContact O-OG 2.85Å; I612-A616 PolarHBondContact O-N 3.26Å
613V89.8Confident84.7Confident18 Ų1821.5 Ų21.511%0.10912%0.122CC..Hα-helixtrans-65-41.3-178.71750000112.2A551 Y555 V609 A616 F617 F661A551-V613 HydrophobicContact CB-CG2 4.45Å; Y555-V613 HydrophobicContact CE2-CG2 3.82Å; V609-V613 HydrophobicContact CG1-CG2 4.43Å; V609-V613 WeakPolarHBondContact O-CG2 3.27Å; V609-V613 PolarHBondContact O-N 2.91Å; V613-A616 PolarHBondContact O-N 2.93Å; V613-F617 WeakPolarHBondContact O-CB 3.43Å; V613-F617 PolarHBondContact O-N 3.45Å; V613-F661 HydrophobicContact CB-CD2 4.41Å; V613-F661 HydrophobicContact CG1-CD2 3.95Å; V613-F661 HydrophobicContact CG1-CG 4.5Å; V613-F661 HydrophobicContact CG2-CD1 4.44Å; V613-F661 HydrophobicContact CG2-CD2 3.7Å; V613-F661 HydrophobicContact CG2-CE2 3.9Å; V613-F661 HydrophobicContact CG2-CG 4.01Å; V613-F661 HydrophobicContact CG2-CZ 4.36Å
614S86Confident85.4Confident14 Ų1422.4 Ų22.410%0.09813%0.13CC..Hα-helixtrans-68.2-34.9177.352.40000112.9D610 V611 I612 F617 L618D610-S614 VanDerWaalsContact O-CB 3.29Å; D610-S614 WeakPolarHBondContact O-CB 3.33Å; D610-S614 PolarHBondContact O-N 2.91Å; D610-S614 PolarHBondContact O-OG 3.04Å; V611-S614 WeakPolarHBondContact CA-OG 3.49Å; V611-S614 PolarHBondContact O-OG 2.87Å; I612-S614 PolarHBondContact O-N 3.42Å; S614-F617 PolarHBondContact O-N 3Å; S614-L618 WeakPolarHBondContact O-CG 3.44Å; S614-L618 PolarHBondContact O-N 3.3Å
615S89.1Confident85.9Confident13 Ų1326.8 Ų26.89%0.09114%0.143CC..Hα-helixtrans-66.1-40.4172.8730000112.6V144 V611 I612 L618 L619V144-S615 VanDerWaalsContact CG2-OG 3.29Å; V144-S615 WeakPolarHBondContact CG2-OG 3.2Å; V611-S615 WeakPolarHBondContact O-CB 3.39Å; V611-S615 PolarHBondContact O-N 2.9Å; V611-S615 PolarHBondContact O-OG 2.97Å; I612-S615 PolarHBondContact O-N 3.24Å; I612-S615 PolarHBondContact O-OG 2.85Å; S615-L618 PolarHBondContact O-N 3.38Å; S615-L619 WeakPolarHBondContact O-CB 3.27Å; S615-L619 PolarHBondContact O-N 2.87Å
616A91.7Very high86.5Confident1 Ų130 Ų301%0.00816%0.158CC..Hα-helixtrans-68-35.7174.900000112.3F544 L548 I612 V613 L619 T620F544-A616 HydrophobicContact CZ-CB 4.32Å; L548-A616 HydrophobicContact CD2-CB 3.69Å; I612-A616 PolarHBondContact O-N 3.26Å; V613-A616 PolarHBondContact O-N 2.93Å; A616-L619 PolarHBondContact O-N 3.11Å; A616-T620 PolarHBondContact O-N 3.47Å; A616-T620 PolarHBondContact O-OG1 2.95Å
617F88.7Confident86.8Confident39 Ų3929.8 Ų29.817%0.17116%0.159CC..Hα-helixtrans-63.1-50173.3-179.2-102.1000111.4V613 S614 L619 T620 L621 L658 T726 T735V613-F617 WeakPolarHBondContact O-CB 3.43Å; V613-F617 PolarHBondContact O-N 3.45Å; S614-F617 PolarHBondContact O-N 3Å; F617-L619 VanDerWaalsContact C-N 3.35Å; F617-L619 PolarHBondContact O-N 3.36Å; F617-T620 PolarHBondContact O-N 3.27Å; F617-L621 HydrophobicContact CD1-CD1 4.09Å; F617-L621 HydrophobicContact CD1-CG 4.45Å; F617-L621 HydrophobicContact CE1-CD1 3.58Å; F617-L621 HydrophobicContact CE1-CG 4.18Å; F617-L621 HydrophobicContact CZ-CD1 4.02Å; F617-L621 HydrophobicContact CZ-CD2 4.32Å; F617-L621 HydrophobicContact CZ-CG 4.32Å; F617-L621 WeakPolarHBondContact O-CG 3.29Å; F617-L621 PolarHBondContact O-N 3.43Å; F617-L658 HydrophobicContact CB-CD2 4.15Å; F617-L658 HydrophobicContact CD2-CD1 4.05Å; F617-L658 HydrophobicContact CD2-CD2 4.49Å; F617-T726 HydrophobicContact CD1-CG2 4.04Å; F617-T726 HydrophobicContact CE1-CG2 3.4Å; F617-T726 HydrophobicContact CE2-CG2 4.45Å; F617-T726 HydrophobicContact CZ-CG2 3.64Å; F617-T735 HydrophobicContact CZ-CG2 4.06Å
618L87.2Confident87.1Confident77 Ų7729.2 Ų29.240%0.40316%0.16SC..Hα-helixtrans-58.8-43.6174.1-73.3-177.4000112.5S614 S615 T620 L621 S622 L725S614-L618 WeakPolarHBondContact O-CG 3.44Å; S614-L618 PolarHBondContact O-N 3.3Å; S615-L618 PolarHBondContact O-N 3.38Å; L618-T620 VanDerWaalsContact C-N 3.31Å; L618-T620 PolarHBondContact O-N 3.08Å; L618-L621 PolarHBondContact O-N 3.11Å; L618-S622 PolarHBondContact O-N 3.43Å; L618-S622 PolarHBondContact O-OG 3.29Å; L618-L725 HydrophobicContact CD1-CD2 3.54Å; L618-L725 HydrophobicContact CD2-CD2 3.98Å; L618-L725 HydrophobicContact CG-CD2 3.81Å
619L90.9Very high87Confident33 Ų3331.2 Ų31.217%0.17318%0.176CC..Hα-helixtrans-58.4-45.9175.6-176.966000110.7L140 F544 S615 A616 F617 L621 S622 V623 W650 L654L140-L619 HydrophobicContact CD2-CD1 4.3Å; L140-L619 HydrophobicContact CD2-CD2 3.9Å; L140-L619 HydrophobicContact CD2-CG 4.47Å; F544-L619 HydrophobicContact CE1-CD2 4.19Å; F544-L619 HydrophobicContact CE2-CD2 3.99Å; F544-L619 HydrophobicContact CZ-CD2 3.61Å; S615-L619 WeakPolarHBondContact O-CB 3.27Å; S615-L619 PolarHBondContact O-N 2.87Å; A616-L619 PolarHBondContact O-N 3.11Å; F617-L619 VanDerWaalsContact C-N 3.35Å; F617-L619 PolarHBondContact O-N 3.36Å; L619-L621 PolarHBondContact O-N 3.06Å; L619-S622 PolarHBondContact O-N 3.24Å; L619-S622 PolarHBondContact O-OG 2.9Å; L619-V623 HydrophobicContact CD1-CG2 4.41Å; L619-V623 HydrophobicContact CG-CG2 4.46Å; L619-V623 WeakPolarHBondContact O-CG2 3.39Å; L619-V623 PolarHBondContact O-N 3.35Å; L619-W650 HydrophobicContact CD2-CZ3 4.38Å; L619-L654 HydrophobicContact CD2-CD1 3.93Å; L619-L654 HydrophobicContact CD2-CD2 4.2Å; L619-L654 HydrophobicContact CG-CD1 3.95Å
620T90.3Very high86.8Confident8 Ų833.8 Ų33.85%0.04919%0.189CC..Hα-helixtrans-61.4-43.7177.7-46.90000111.7A616 F617 L618 S622 V623 V624 L654 L658A616-T620 PolarHBondContact O-N 3.47Å; A616-T620 PolarHBondContact O-OG1 2.95Å; F617-T620 PolarHBondContact O-N 3.27Å; L618-T620 VanDerWaalsContact C-N 3.31Å; L618-T620 PolarHBondContact O-N 3.08Å; T620-S622 VanDerWaalsContact C-N 3.32Å; T620-S622 PolarHBondContact O-N 3.19Å; T620-V623 PolarHBondContact O-N 2.91Å; T620-V624 HydrophobicContact CG2-CG2 4.21Å; T620-V624 WeakPolarHBondContact O-CB 3.3Å; T620-V624 VanDerWaalsContact O-CG2 3.25Å; T620-V624 WeakPolarHBondContact O-CG2 3.44Å; T620-V624 PolarHBondContact O-N 2.88Å; T620-L654 HydrophobicContact CG2-CB 4.15Å; T620-L654 WeakPolarHBondContact OG1-CB 3.32Å; T620-L658 HydrophobicContact CG2-CD1 3.89Å; T620-L658 VanDerWaalsContact OG1-CD1 3.28Å; T620-L658 WeakPolarHBondContact OG1-CD1 3.48Å
621L85.4Confident86.6Confident38 Ų3834.9 Ų34.920%0.19919%0.194CC..Hα-helixtrans-60.4-41.8175.4-66.7-175.3000112F617 L618 L619 F625 T735 I739F617-L621 HydrophobicContact CD1-CD1 4.09Å; F617-L621 HydrophobicContact CD1-CG 4.45Å; F617-L621 HydrophobicContact CE1-CD1 3.58Å; F617-L621 HydrophobicContact CE1-CG 4.18Å; F617-L621 HydrophobicContact CZ-CD1 4.02Å; F617-L621 HydrophobicContact CZ-CD2 4.32Å; F617-L621 HydrophobicContact CZ-CG 4.32Å; F617-L621 WeakPolarHBondContact O-CG 3.29Å; F617-L621 PolarHBondContact O-N 3.43Å; L618-L621 PolarHBondContact O-N 3.11Å; L619-L621 PolarHBondContact O-N 3.06Å; L621-F625 VanDerWaalsContact O-CB 3.25Å; L621-F625 WeakPolarHBondContact O-CB 3.48Å; L621-F625 PolarHBondContact O-N 3.03Å; L621-T735 HydrophobicContact CD1-CG2 3.67Å; L621-T735 HydrophobicContact CD2-CG2 3.64Å; L621-T735 HydrophobicContact CG-CG2 4.32Å; L621-I739 HydrophobicContact CD2-CD1 3.83Å; L621-I739 HydrophobicContact CD2-CG1 4.27Å
622S87.8Confident86.1Confident52 Ų5237.6 Ų37.636%0.36421%0.208SC..Hα-helixtrans-66.4-42.6177.367.20000112.5L618 L619 T620 F625 I626L618-S622 PolarHBondContact O-N 3.43Å; L618-S622 PolarHBondContact O-OG 3.29Å; L619-S622 PolarHBondContact O-N 3.24Å; L619-S622 PolarHBondContact O-OG 2.9Å; T620-S622 VanDerWaalsContact C-N 3.32Å; T620-S622 PolarHBondContact O-N 3.19Å; S622-F625 PolarHBondContact O-N 2.92Å; S622-I626 WeakPolarHBondContact O-CD1 3.36Å; S622-I626 WeakPolarHBondContact O-CG1 3.45Å; S622-I626 PolarHBondContact O-N 3.34Å
623V89.9Confident85.4Confident10 Ų1043.8 Ų43.86%0.06124%0.236CC..Hα-helixtrans-65.9-43177170.40000111.2L619 T620 I626 C627 L647 W650 C651L619-V623 HydrophobicContact CD1-CG2 4.41Å; L619-V623 HydrophobicContact CG-CG2 4.46Å; L619-V623 WeakPolarHBondContact O-CG2 3.39Å; L619-V623 PolarHBondContact O-N 3.35Å; T620-V623 PolarHBondContact O-N 2.91Å; V623-I626 PolarHBondContact O-N 3.33Å; V623-C627 WeakPolarHBondContact O-CB 3.3Å; V623-C627 PolarHBondContact O-N 2.81Å; V623-L647 HydrophobicContact CG1-CD2 4.01Å; V623-L647 WeakPolarHBondContact CG1-O 3.5Å; V623-W650 HydrophobicContact CG1-CB 3.99Å; V623-W650 HydrophobicContact CG2-CB 4.37Å; V623-C651 HydrophobicContact CG1-CB 3.91Å
624V86.4Confident84.4Confident39 Ų3946 Ų4624%0.23625%0.25CC..Hα-helixtrans-63-45.1175168.60000110.9T620 C627 C628T620-V624 HydrophobicContact CG2-CG2 4.21Å; T620-V624 WeakPolarHBondContact O-CB 3.3Å; T620-V624 VanDerWaalsContact O-CG2 3.25Å; T620-V624 WeakPolarHBondContact O-CG2 3.44Å; T620-V624 PolarHBondContact O-N 2.88Å; V624-C627 PolarHBondContact O-N 3.22Å; V624-C628 WeakPolarHBondContact O-CB 3.4Å; V624-C628 PolarHBondContact O-N 3.12Å; V624-C628 PolarHBondContact O-SG 3.01Å; V624-C628 VanDerWaalsContact O-SG 3.34Å
625F84.4Confident83.5Confident116 Ų11650.2 Ų50.251%0.50927%0.267SS..Hα-helixtrans-61.1-46.3178.2179.1-99.3000112L621 S622 C628 A629 V738L621-F625 VanDerWaalsContact O-CB 3.25Å; L621-F625 WeakPolarHBondContact O-CB 3.48Å; L621-F625 PolarHBondContact O-N 3.03Å; S622-F625 PolarHBondContact O-N 2.92Å; F625-C628 PolarHBondContact O-N 3.34Å; F625-A629 WeakPolarHBondContact O-CB 3.15Å; F625-A629 PolarHBondContact O-N 2.92Å; F625-V738 HydrophobicContact CD2-CG1 3.93Å
626I85.6Confident82.3Confident75 Ų7558.3 Ų58.339%0.38530%0.304SS..Hα-helixtrans-63.2-45.6175.8-63.9162.7000110.4S622 V623 C628 A629 Q630 L647S622-I626 WeakPolarHBondContact O-CD1 3.36Å; S622-I626 WeakPolarHBondContact O-CG1 3.45Å; S622-I626 PolarHBondContact O-N 3.34Å; V623-I626 PolarHBondContact O-N 3.33Å; I626-C628 PolarHBondContact O-N 2.97Å; I626-A629 PolarHBondContact O-N 3.14Å; I626-Q630 HydrophobicContact CG2-CG 4.25Å; I626-Q630 WeakPolarHBondContact O-CB 3.46Å; I626-Q630 VanDerWaalsContact O-CG 3.3Å; I626-Q630 WeakPolarHBondContact O-CG 3.36Å; I626-Q630 PolarHBondContact O-N 2.66Å; I626-L647 HydrophobicContact CB-CD2 4.42Å; I626-L647 HydrophobicContact CG2-CD1 3.67Å; I626-L647 HydrophobicContact CG2-CD2 4.14Å
627C84.2Confident81.1Confident20 Ų2059.9 Ų59.914%0.13531%0.313CS..Hα-helixtrans-59.1-43.5178.4-172.30000112.2V623 V624 L631V623-C627 WeakPolarHBondContact O-CB 3.3Å; V623-C627 PolarHBondContact O-N 2.81Å; V624-C627 PolarHBondContact O-N 3.22Å; C627-L631 VanDerWaalsContact O-CB 3.28Å; C627-L631 WeakPolarHBondContact O-CB 3.49Å; C627-L631 PolarHBondContact O-N 2.83Å
628C81.4Confident80.4Confident20 Ų2058.9 Ų58.914%0.13531%0.309CS..Hα-helixtrans-67.6-42.4175.3-68.60000112V624 F625 I626 Q630 L631 L632 A742 V746V624-C628 WeakPolarHBondContact O-CB 3.4Å; V624-C628 PolarHBondContact O-N 3.12Å; V624-C628 PolarHBondContact O-SG 3.01Å; V624-C628 VanDerWaalsContact O-SG 3.34Å; F625-C628 PolarHBondContact O-N 3.34Å; I626-C628 PolarHBondContact O-N 2.97Å; C628-Q630 VanDerWaalsContact C-N 3.34Å; C628-Q630 PolarHBondContact O-N 2.82Å; C628-L631 PolarHBondContact O-N 3.41Å; C628-L632 WeakPolarHBondContact O-CB 3.21Å; C628-L632 WeakPolarHBondContact O-CD1 3.38Å; C628-L632 WeakPolarHBondContact O-CG 3.28Å; C628-L632 PolarHBondContact O-N 2.65Å; C628-A742 HydrophobicContact CB-CB 3.91Å; C628-V746 HydrophobicContact CB-CG2 4.18Å
629A82.2Confident79.7Confident44 Ų4459.8 Ų59.836%0.36431%0.314SS..Hα-helixtrans-62.7-39.4178.200000112.6F625 I626 H633F625-A629 WeakPolarHBondContact O-CB 3.15Å; F625-A629 PolarHBondContact O-N 2.92Å; I626-A629 PolarHBondContact O-N 3.14Å; A629-H633 WeakPolarHBondContact O-CB 3.36Å; A629-H633 PolarHBondContact O-N 3.3Å
630Q82.2Confident78.8Confident55 Ų5564.1 Ų64.126%0.25733%0.333SS..Hα-helixtrans-67.5-45.6175.4-69.8-65.1-19.900111.9I626 C628 L632 H633 V634 F638 Y643I626-Q630 HydrophobicContact CG2-CG 4.25Å; I626-Q630 WeakPolarHBondContact O-CB 3.46Å; I626-Q630 VanDerWaalsContact O-CG 3.3Å; I626-Q630 WeakPolarHBondContact O-CG 3.36Å; I626-Q630 PolarHBondContact O-N 2.66Å; C628-Q630 VanDerWaalsContact C-N 3.34Å; C628-Q630 PolarHBondContact O-N 2.82Å; Q630-L632 VanDerWaalsContact C-N 3.31Å; Q630-L632 PolarHBondContact O-N 2.91Å; Q630-H633 PolarHBondContact O-N 3.31Å; Q630-H633 VanDerWaalsContact O-N 3.09Å; Q630-V634 PolarHBondContact O-N 3.26Å; Q630-V634 VanDerWaalsContact O-N 3.15Å; Q630-F638 HydrophobicContact CB-CD2 4.16Å; Q630-F638 HydrophobicContact CB-CE2 3.87Å; Q630-Y643 HydrophobicContact CG-CE2 4.17Å; Q630-Y643 PolarHBondContact OE1-OH 3.28Å
631L79.3Confident78.1Confident41 Ų4168.8 Ų68.822%0.21535%0.351CS..Hα-helixtrans-66-31.5179.8-169.7151.1000112.8C627 C628 F638 V746C627-L631 VanDerWaalsContact O-CB 3.28Å; C627-L631 WeakPolarHBondContact O-CB 3.49Å; C627-L631 PolarHBondContact O-N 2.83Å; C628-L631 PolarHBondContact O-N 3.41Å; L631-F638 HydrophobicContact CB-CD2 3.96Å; L631-F638 HydrophobicContact CB-CE2 4.09Å; L631-V746 HydrophobicContact CD2-CB 4.36Å; L631-V746 HydrophobicContact CD2-CG1 3.75Å; L631-V746 HydrophobicContact CD2-CG2 3.93Å
632L76.3Confident77.9Confident74 Ų7467.6 Ų67.639%0.38734%0.344SS..Hα-helixtrans-70.6-31.8171-72.7168.6000113.2C628 Q630 V746 D749C628-L632 WeakPolarHBondContact O-CB 3.21Å; C628-L632 WeakPolarHBondContact O-CD1 3.38Å; C628-L632 WeakPolarHBondContact O-CG 3.28Å; C628-L632 PolarHBondContact O-N 2.65Å; Q630-L632 VanDerWaalsContact C-N 3.31Å; Q630-L632 PolarHBondContact O-N 2.91Å; L632-V746 HydrophobicContact CD2-CG2 4.22Å; L632-V746 HydrophobicContact CG-CG2 4.16Å; L632-D749 WeakPolarHBondContact CD2-OD2 3.1Å
633H75.3Confident77.6Confident133 Ų13368.3 Ų68.362%0.61634%0.339SS*.Hα-helixtrans-82.5-39-174.1-164.4-61.4000112.7A629 Q630A629-H633 WeakPolarHBondContact O-CB 3.36Å; A629-H633 PolarHBondContact O-N 3.3Å; Q630-H633 PolarHBondContact O-N 3.31Å; Q630-H633 VanDerWaalsContact O-N 3.09Å
634V67.9Low77.4Confident64 Ų6468 Ų6839%0.38834%0.337SS..  trans-14695.9171.9-154.70000110.3Q630 T637 F638Q630-V634 PolarHBondContact O-N 3.26Å; Q630-V634 VanDerWaalsContact O-N 3.15Å; V634-T637 HydrophobicContact CG1-CG2 4.32Å; V634-T637 WeakPolarHBondContact CG1-OG1 3.17Å; V634-F638 PolarHBondContact O-N 3.43Å
635H66.9Low77.4Confident102 Ų10271.6 Ų71.647%0.47235%0.347SS..SBendtrans-67.3-42-175.6-175.8-90000113
636E64.4Low77.6Confident183 Ų18366.8 Ų66.886%0.85533%0.326SS*.THydrogen-bonded Turntrans-73.6-41.4-172.4-59.3-168148.200112.8F638E636-F638 VanDerWaalsContact C-N 3.34Å; E636-F638 PolarHBondContact O-N 3.49Å
637T67Low77.8Confident34 Ų3464.4 Ų64.421%0.20931%0.314CS..THydrogen-bonded Turntrans-89.97.8-179.365.30000113.7V634 L639 E640 Y641V634-T637 HydrophobicContact CG1-CG2 4.32Å; V634-T637 WeakPolarHBondContact CG1-OG1 3.17Å; T637-L639 VanDerWaalsContact C-N 3.31Å; T637-L639 PolarHBondContact O-N 3.23Å; T637-E640 WeakPolarHBondContact CB-OE2 3.46Å; T637-E640 WeakPolarHBondContact CG2-OE2 3.13Å; T637-E640 WeakPolarHBondContact O-CB 3.44Å; T637-E640 PolarHBondContact O-N 2.72Å; T637-Y641 WeakPolarHBondContact O-CD2 3.34Å
638F73.4Confident78Confident18 Ų1865.6 Ų65.68%0.07932%0.32CS..G310 helixtrans-54.9-43.3-174.8177.3-97.5000112.9Q630 L631 V634 E636 E640 N644 V648Q630-F638 HydrophobicContact CB-CD2 4.16Å; Q630-F638 HydrophobicContact CB-CE2 3.87Å; L631-F638 HydrophobicContact CB-CD2 3.96Å; L631-F638 HydrophobicContact CB-CE2 4.09Å; V634-F638 PolarHBondContact O-N 3.43Å; E636-F638 VanDerWaalsContact C-N 3.34Å; E636-F638 PolarHBondContact O-N 3.49Å; F638-E640 VanDerWaalsContact C-N 3.33Å; F638-N644 HydrophobicContact CD1-CB 4.48Å; F638-N644 HydrophobicContact CD2-CB 4.24Å; F638-N644 WeakPolarHBondContact CD2-ND2 3.38Å; F638-N644 HydrophobicContact CE1-CB 4.1Å; F638-N644 HydrophobicContact CE2-CB 3.85Å; F638-N644 WeakPolarHBondContact CE2-OD1 3.5Å; F638-N644 HydrophobicContact CZ-CB 3.76Å; F638-N644 WeakPolarHBondContact O-CB 3.43Å; F638-N644 PolarHBondContact O-ND2 3.26Å; F638-V648 HydrophobicContact CE1-CG2 4.02Å; F638-V648 HydrophobicContact CZ-CG2 4.23Å
639L72.7Confident78.5Confident97 Ų9766.2 Ų66.251%0.50832%0.322SS..G310 helixtrans-82.2-5.9179.2-65.1179.8000114.2T637 Y641 W645T637-L639 VanDerWaalsContact C-N 3.31Å; T637-L639 PolarHBondContact O-N 3.23Å; L639-Y641 VanDerWaalsContact C-N 3.34Å; L639-W645 HydrophobicContact CB-CZ2 4.31Å; L639-W645 HydrophobicContact CD1-CZ2 4.4Å; L639-W645 HydrophobicContact CD2-CH2 4.48Å; L639-W645 HydrophobicContact CD2-CZ2 4Å; L639-W645 HydrophobicContact CG-CZ2 4.47Å; L639-W645 PolarHBondContact O-NE1 2.84Å
640E72.3Confident79.1Confident123 Ų12365.6 Ų65.658%0.57531%0.31SS*.G310 helixtrans-75.7-25.3178.1-60.7-176.4161.400111.9Y492 T637 F638Y492-E640 WeakPolarHBondContact CE2-O 3.35Å; Y492-E640 PolarHBondContact OH-O 3Å; T637-E640 WeakPolarHBondContact CB-OE2 3.46Å; T637-E640 WeakPolarHBondContact CG2-OE2 3.13Å; T637-E640 WeakPolarHBondContact O-CB 3.44Å; T637-E640 PolarHBondContact O-N 2.72Å; F638-E640 VanDerWaalsContact C-N 3.33Å
641Y75.4Confident79.6Confident106 Ų10664.3 Ų64.342%0.41631%0.307SS..SBendtrans-92.2130.2-176.9-65-83.3000113.9T637 L639 Y643 N644T637-Y641 WeakPolarHBondContact O-CD2 3.34Å; L639-Y641 VanDerWaalsContact C-N 3.34Å; Y641-Y643 VanDerWaalsContact C-N 3.32Å; Y641-Y643 VanDerWaalsContact CB-CE1 3.47Å; Y641-Y643 AromaticContact CD1-CE1 3.74Å; Y641-Y643 HydrophobicContact CD1-CE1 3.74Å; Y641-Y643 AromaticContact CG-CE1 3.72Å; Y641-Y643 HydrophobicContact CG-CE1 3.72Å; Y641-Y643 AromaticContact CG-CZ 3.99Å; Y641-Y643 PolarHBondContact O-N 2.9Å; Y641-N644 PolarHBondContact O-N 2.96Å; Y641-N644 VanDerWaalsContact O-N 3.09Å
642H80.1Confident80.2Confident14 Ų1466 Ų667%0.06532%0.319CS..Hα-helixtrans-45.8-48.3176172.138.8000114.5P489 Y492 N644 W645 E646P489-H642 WeakPolarHBondContact CA-CE1 3.25Å; Y492-H642 HydrophobicContact CD1-CB 3.68Å; Y492-H642 HydrophobicContact CD2-CB 3.84Å; Y492-H642 HydrophobicContact CE1-CB 3.63Å; Y492-H642 VanDerWaalsContact CE2-CA 3.45Å; Y492-H642 HydrophobicContact CE2-CB 3.77Å; Y492-H642 HydrophobicContact CG-CB 3.77Å; Y492-H642 PolarHBondContact OH-N 3.46Å; H642-N644 VanDerWaalsContact C-N 3.26Å; H642-N644 PolarHBondContact O-N 3.45Å; H642-W645 PolarHBondContact O-N 3.34Å; H642-E646 VanDerWaalsContact CE1-CG 3.48Å; H642-E646 WeakPolarHBondContact CE1-CG 3.27Å; H642-E646 IonicContact CE1-OE1 2.62Å; H642-E646 IonicContact NE2-OE1 3.04Å; H642-E646 PolarHBondContact O-N 3.43Å
643Y81.8Confident81Confident67 Ų6762.6 Ų62.626%0.26330%0.302SS..Hα-helixtrans-67.8-25.7-173.664.3-95.7000112.8Q630 Y641 E646 L647Q630-Y643 HydrophobicContact CG-CE2 4.17Å; Q630-Y643 PolarHBondContact OE1-OH 3.28Å; Y641-Y643 VanDerWaalsContact C-N 3.32Å; Y641-Y643 VanDerWaalsContact CB-CE1 3.47Å; Y641-Y643 AromaticContact CD1-CE1 3.74Å; Y641-Y643 HydrophobicContact CD1-CE1 3.74Å; Y641-Y643 AromaticContact CG-CE1 3.72Å; Y641-Y643 HydrophobicContact CG-CE1 3.72Å; Y641-Y643 AromaticContact CG-CZ 3.99Å; Y641-Y643 PolarHBondContact O-N 2.9Å; Y643-E646 PolarHBondContact O-N 3.43Å; Y643-L647 HydrophobicContact CD2-CD1 4.18Å; Y643-L647 VanDerWaalsContact O-CG 3.29Å; Y643-L647 WeakPolarHBondContact O-CG 3.47Å; Y643-L647 PolarHBondContact O-N 3.19Å
644N85.9Confident81.9Confident2 Ų256.3 Ų56.31%0.01127%0.272CS..Hα-helixtrans-71.8-36.2176-74.3-29.7000111.5F638 Y641 H642 L647 V648F638-N644 HydrophobicContact CD1-CB 4.48Å; F638-N644 HydrophobicContact CD2-CB 4.24Å; F638-N644 WeakPolarHBondContact CD2-ND2 3.38Å; F638-N644 HydrophobicContact CE1-CB 4.1Å; F638-N644 HydrophobicContact CE2-CB 3.85Å; F638-N644 WeakPolarHBondContact CE2-OD1 3.5Å; F638-N644 HydrophobicContact CZ-CB 3.76Å; F638-N644 WeakPolarHBondContact O-CB 3.43Å; F638-N644 PolarHBondContact O-ND2 3.26Å; Y641-N644 PolarHBondContact O-N 2.96Å; Y641-N644 VanDerWaalsContact O-N 3.09Å; H642-N644 VanDerWaalsContact C-N 3.26Å; H642-N644 PolarHBondContact O-N 3.45Å; N644-L647 PolarHBondContact O-N 3.02Å; N644-V648 WeakPolarHBondContact O-CG2 3.37Å; N644-V648 PolarHBondContact O-N 2.94Å
645W86.1Confident83Confident115 Ų11555.7 Ų55.744%0.43627%0.271SS..Hα-helixtrans-61.9-43.3169.7-77.397000112.2T488 L639 H642 L647 V648 I649T488-W645 HydrophobicContact CG2-CB 4.39Å; L639-W645 HydrophobicContact CB-CZ2 4.31Å; L639-W645 HydrophobicContact CD1-CZ2 4.4Å; L639-W645 HydrophobicContact CD2-CH2 4.48Å; L639-W645 HydrophobicContact CD2-CZ2 4Å; L639-W645 HydrophobicContact CG-CZ2 4.47Å; L639-W645 PolarHBondContact O-NE1 2.84Å; H642-W645 PolarHBondContact O-N 3.34Å; W645-L647 PolarHBondContact O-N 3.45Å; W645-V648 PolarHBondContact O-N 3.46Å; W645-I649 WeakPolarHBondContact O-CD1 3.17Å; W645-I649 VanDerWaalsContact O-CG1 3.27Å; W645-I649 WeakPolarHBondContact O-CG1 3.45Å; W645-I649 PolarHBondContact O-N 3.12Å
646E88.9Confident84.2Confident16 Ų1654.9 Ų54.98%0.07527%0.269CS..Hα-helixtrans-60.5-45.2173.9-61.4-154133.200111.8T488 R537 H642 Y643 V648 I649 W650T488-E646 HydrophobicContact CG2-CG 3.91Å; R537-E646 IonicContact CZ-OE1 3.71Å; R537-E646 IonicContact CZ-OE2 3.57Å; R537-E646 IonicContact NH2-OE1 2.95Å; R537-E646 PolarHBondContact NH2-OE1 2.88Å; R537-E646 IonicContact NH2-OE2 2.67Å; R537-E646 PolarHBondContact NH2-OE2 3.43Å; H642-E646 VanDerWaalsContact CE1-CG 3.48Å; H642-E646 WeakPolarHBondContact CE1-CG 3.27Å; H642-E646 IonicContact CE1-OE1 2.62Å; H642-E646 IonicContact NE2-OE1 3.04Å; H642-E646 PolarHBondContact O-N 3.43Å; Y643-E646 PolarHBondContact O-N 3.43Å; E646-V648 VanDerWaalsContact C-N 3.35Å; E646-V648 PolarHBondContact O-N 2.8Å; E646-I649 PolarHBondContact O-N 2.71Å; E646-W650 WeakPolarHBondContact O-CB 3.36Å; E646-W650 PolarHBondContact O-N 3.12Å
647L89.4Confident85.5Confident24 Ų2446.2 Ų46.213%0.12623%0.229CC..Hα-helixtrans-60.3-40.5177.1-73.5167.9000112.3V623 I626 Y643 N644 W645 W650 C651V623-L647 HydrophobicContact CG1-CD2 4.01Å; V623-L647 WeakPolarHBondContact CG1-O 3.5Å; I626-L647 HydrophobicContact CB-CD2 4.42Å; I626-L647 HydrophobicContact CG2-CD1 3.67Å; I626-L647 HydrophobicContact CG2-CD2 4.14Å; Y643-L647 HydrophobicContact CD2-CD1 4.18Å; Y643-L647 VanDerWaalsContact O-CG 3.29Å; Y643-L647 WeakPolarHBondContact O-CG 3.47Å; Y643-L647 PolarHBondContact O-N 3.19Å; N644-L647 PolarHBondContact O-N 3.02Å; W645-L647 PolarHBondContact O-N 3.45Å; L647-W650 PolarHBondContact O-N 2.63Å; L647-C651 WeakPolarHBondContact O-CB 3.33Å; L647-C651 PolarHBondContact O-N 3.26Å
648V90.1Very high86.6Confident46 Ų4645.9 Ų45.928%0.27923%0.226SC..Hα-helixtrans-66.4-42.9176.5169.40000111.5F638 N644 W645 E646 C651 T652F638-V648 HydrophobicContact CE1-CG2 4.02Å; F638-V648 HydrophobicContact CZ-CG2 4.23Å; N644-V648 WeakPolarHBondContact O-CG2 3.37Å; N644-V648 PolarHBondContact O-N 2.94Å; W645-V648 PolarHBondContact O-N 3.46Å; E646-V648 VanDerWaalsContact C-N 3.35Å; E646-V648 PolarHBondContact O-N 2.8Å; V648-C651 PolarHBondContact O-N 3.36Å; V648-T652 HydrophobicContact CG1-CG2 4.43Å; V648-T652 WeakPolarHBondContact O-CB 3.23Å; V648-T652 WeakPolarHBondContact O-CG2 3.4Å; V648-T652 PolarHBondContact O-N 3.45Å; V648-T652 PolarHBondContact O-OG1 2.85Å
649I92.1Very high87.3Confident32 Ų3250.2 Ų50.216%0.16425%0.249CC..Hα-helixtrans-66.6-40.3177.5-62.1161.2000110.7T484 L485 T488 W645 E646 T652 S653T484-I649 HydrophobicContact CG2-CD1 4.35Å; L485-I649 HydrophobicContact CD1-CG2 4.41Å; L485-I649 HydrophobicContact CD2-CB 3.72Å; L485-I649 HydrophobicContact CD2-CG2 3.48Å; L485-I649 VanDerWaalsContact CD2-CG2 3.48Å; L485-I649 HydrophobicContact CG-CB 4.46Å; L485-I649 HydrophobicContact CG-CG2 3.67Å; T488-I649 HydrophobicContact CG2-CD1 4.2Å; W645-I649 WeakPolarHBondContact O-CD1 3.17Å; W645-I649 VanDerWaalsContact O-CG1 3.27Å; W645-I649 WeakPolarHBondContact O-CG1 3.45Å; W645-I649 PolarHBondContact O-N 3.12Å; E646-I649 PolarHBondContact O-N 2.71Å; I649-T652 PolarHBondContact O-OG1 2.86Å; I649-S653 VanDerWaalsContact O-CB 3.25Å; I649-S653 WeakPolarHBondContact O-CB 3.17Å; I649-S653 PolarHBondContact O-N 3.03Å; I649-S653 VanDerWaalsContact O-N 3.11Å; I649-S653 PolarHBondContact O-OG 2.73Å
650W93.6Very high88.2Confident32 Ų3248.5 Ų48.512%0.12124%0.236CC..Hα-helixtrans-62-49.9171.2-84.1114.9000112L137 L485 I541 F544 F545 L619 V623 E646 L647 T652 S653 L654L137-W650 HydrophobicContact CD1-CH2 4.43Å; L137-W650 HydrophobicContact CD2-CH2 4.27Å; L137-W650 HydrophobicContact CD2-CZ2 4.34Å; L485-W650 HydrophobicContact CD1-CD2 3.82Å; L485-W650 HydrophobicContact CD1-CE3 4.13Å; L485-W650 HydrophobicContact CD1-CG 4.35Å; L485-W650 HydrophobicContact CD1-CH2 4.25Å; L485-W650 HydrophobicContact CD1-CZ2 3.93Å; L485-W650 HydrophobicContact CD1-CZ3 4.33Å; L485-W650 HydrophobicContact CD2-CG 4.25Å; I541-W650 HydrophobicContact CD1-CZ2 4.2Å; I541-W650 HydrophobicContact CG1-CH2 4.16Å; I541-W650 HydrophobicContact CG1-CZ2 3.88Å; I541-W650 HydrophobicContact CG2-CH2 4.03Å; I541-W650 HydrophobicContact CG2-CZ2 4.27Å; F544-W650 HydrophobicContact CD1-CH2 4.2Å; F544-W650 AromaticContact CD1-CZ3 3.85Å; F544-W650 HydrophobicContact CD1-CZ3 3.85Å; F544-W650 AromaticContact CE1-CZ3 3.84Å; F544-W650 HydrophobicContact CE1-CZ3 3.84Å; F545-W650 HydrophobicContact CE2-CE3 4.28Å; F545-W650 HydrophobicContact CE2-CH2 4.13Å; F545-W650 AromaticContact CE2-CZ3 3.65Å; F545-W650 HydrophobicContact CE2-CZ3 3.65Å; F545-W650 HydrophobicContact CZ-CE3 4.21Å; F545-W650 AromaticContact CZ-CZ3 3.89Å; F545-W650 HydrophobicContact CZ-CZ3 3.89Å; L619-W650 HydrophobicContact CD2-CZ3 4.38Å; V623-W650 HydrophobicContact CG1-CB 3.99Å; V623-W650 HydrophobicContact CG2-CB 4.37Å; E646-W650 WeakPolarHBondContact O-CB 3.36Å; E646-W650 PolarHBondContact O-N 3.12Å; L647-W650 PolarHBondContact O-N 2.63Å; W650-T652 PolarHBondContact O-N 2.71Å; W650-S653 PolarHBondContact O-OG 2.66Å; W650-L654 HydrophobicContact CE3-CD1 4.09Å; W650-L654 HydrophobicContact CE3-CD2 4.5Å; W650-L654 HydrophobicContact CE3-CG 4.18Å; W650-L654 WeakPolarHBondContact O-CB 3.28Å; W650-L654 WeakPolarHBondContact O-CD1 3.41Å; W650-L654 WeakPolarHBondContact O-CG 3.48Å; W650-L654 PolarHBondContact O-N 3.49Å
651C92.2Very high89Confident28 Ų2843 Ų4319%0.18921%0.21CC..Hα-helixtrans-58-50.7-177.9-177.10000111.9V623 L647 V648 S655V623-C651 HydrophobicContact CG1-CB 3.91Å; L647-C651 WeakPolarHBondContact O-CB 3.33Å; L647-C651 PolarHBondContact O-N 3.26Å; V648-C651 PolarHBondContact O-N 3.36Å; C651-S655 WeakPolarHBondContact O-CB 3.12Å; C651-S655 PolarHBondContact O-N 2.85Å; C651-S655 PolarHBondContact O-OG 2.67Å
652T92.1Very high89.5Confident75 Ų7540.5 Ų40.546%0.4621%0.206SC..Hα-helixtrans-65.9-47.8-178.951.40000112.2V648 I649 W650 S655 L656V648-T652 HydrophobicContact CG1-CG2 4.43Å; V648-T652 WeakPolarHBondContact O-CB 3.23Å; V648-T652 WeakPolarHBondContact O-CG2 3.4Å; V648-T652 PolarHBondContact O-N 3.45Å; V648-T652 PolarHBondContact O-OG1 2.85Å; I649-T652 PolarHBondContact O-OG1 2.86Å; W650-T652 PolarHBondContact O-N 2.71Å; T652-S655 PolarHBondContact O-N 2.88Å; T652-L656 WeakPolarHBondContact O-CG 3.3Å; T652-L656 PolarHBondContact O-N 3.11Å; T652-L656 VanDerWaalsContact O-N 3.08Å
653S94.3Very high89.8Confident4 Ų442.5 Ų42.53%0.02822%0.219CC..Hα-helixtrans-66.4-42.7-17961.50000113.1I649 W650 L656 F657I649-S653 VanDerWaalsContact O-CB 3.25Å; I649-S653 WeakPolarHBondContact O-CB 3.17Å; I649-S653 PolarHBondContact O-N 3.03Å; I649-S653 VanDerWaalsContact O-N 3.11Å; I649-S653 PolarHBondContact O-OG 2.73Å; W650-S653 PolarHBondContact O-OG 2.66Å; S653-L656 PolarHBondContact O-N 3.38Å; S653-F657 WeakPolarHBondContact O-CD2 3.25Å; S653-F657 PolarHBondContact O-N 2.86Å
654L93.1Very high90.1Very high1 Ų139.5 Ų39.51%0.00521%0.207CC..Hα-helixtrans-63-44.5174.5-71.3170.7000111.6F544 L548 L619 T620 W650 L656 F657 L658F544-L654 HydrophobicContact CE1-CD2 3.61Å; F544-L654 HydrophobicContact CZ-CD2 3.75Å; L548-L654 HydrophobicContact CD1-CD2 4.25Å; L619-L654 HydrophobicContact CD2-CD1 3.93Å; L619-L654 HydrophobicContact CD2-CD2 4.2Å; L619-L654 HydrophobicContact CG-CD1 3.95Å; T620-L654 HydrophobicContact CG2-CB 4.15Å; T620-L654 WeakPolarHBondContact OG1-CB 3.32Å; W650-L654 HydrophobicContact CE3-CD1 4.09Å; W650-L654 HydrophobicContact CE3-CD2 4.5Å; W650-L654 HydrophobicContact CE3-CG 4.18Å; W650-L654 WeakPolarHBondContact O-CB 3.28Å; W650-L654 WeakPolarHBondContact O-CD1 3.41Å; W650-L654 WeakPolarHBondContact O-CG 3.48Å; W650-L654 PolarHBondContact O-N 3.49Å; L654-L656 VanDerWaalsContact C-N 3.3Å; L654-L656 PolarHBondContact O-N 3.47Å; L654-F657 PolarHBondContact O-N 2.96Å; L654-F657 VanDerWaalsContact O-N 3.11Å; L654-L658 PolarHBondContact O-N 2.82Å
655S90.4Very high90Very high50 Ų5039.5 Ų39.535%0.3521%0.208SC..Hα-helixtrans-60-39178.8-64.60000112.3C651 T652 L658 L659C651-S655 WeakPolarHBondContact O-CB 3.12Å; C651-S655 PolarHBondContact O-N 2.85Å; C651-S655 PolarHBondContact O-OG 2.67Å; T652-S655 PolarHBondContact O-N 2.88Å; S655-L658 PolarHBondContact O-N 3.21Å; S655-L659 VanDerWaalsContact O-CB 3.27Å; S655-L659 WeakPolarHBondContact O-CB 3.35Å; S655-L659 PolarHBondContact O-N 3.19Å
656L92.8Very high89.7Confident85 Ų8536.3 Ų36.345%0.44520%0.203SC..Hα-helixtrans-64.5-37.6174.9-73.3166.9000112.7F477 T652 S653 L654 R660F477-L656 HydrophobicContact CE1-CB 4.34Å; F477-L656 HydrophobicContact CE1-CD1 4.43Å; F477-L656 HydrophobicContact CE2-CD1 4.27Å; F477-L656 HydrophobicContact CZ-CB 4.36Å; F477-L656 HydrophobicContact CZ-CD1 3.66Å; T652-L656 WeakPolarHBondContact O-CG 3.3Å; T652-L656 PolarHBondContact O-N 3.11Å; T652-L656 VanDerWaalsContact O-N 3.08Å; S653-L656 PolarHBondContact O-N 3.38Å; L654-L656 VanDerWaalsContact C-N 3.3Å; L654-L656 PolarHBondContact O-N 3.47Å; L656-R660 VanDerWaalsContact O-CB 3.27Å; L656-R660 WeakPolarHBondContact O-CB 3.43Å; L656-R660 PolarHBondContact O-N 3.49Å; L656-R660 VanDerWaalsContact O-N 3.15Å
657F92.8Very high89.6Confident2 Ų238.9 Ų38.91%0.00922%0.216CC..Hα-helixtrans-70.4-43.3172.8-88.4-79.9000112.5Y474 F477 F545 L548 S653 L654 R660 F661Y474-F657 HydrophobicContact CD1-CD1 4.2Å; Y474-F657 AromaticContact CD1-CE1 3.91Å; Y474-F657 HydrophobicContact CD1-CE1 3.91Å; Y474-F657 HydrophobicContact CD1-CZ 4.23Å; Y474-F657 HydrophobicContact CG-CE1 4.48Å; Y474-F657 WeakPolarHBondContact O-CZ 3.38Å; F477-F657 HydrophobicContact CD1-CD2 4.28Å; F477-F657 AromaticContact CD1-CE2 3.56Å; F477-F657 HydrophobicContact CD1-CE2 3.56Å; F477-F657 HydrophobicContact CD1-CZ 4.08Å; F477-F657 AromaticContact CE1-CD2 3.99Å; F477-F657 HydrophobicContact CE1-CD2 3.99Å; F477-F657 AromaticContact CE1-CE2 3.68Å; F477-F657 HydrophobicContact CE1-CE2 3.68Å; F545-F657 HydrophobicContact CD1-CD2 4.09Å; F545-F657 AromaticContact CD1-CE2 3.53Å; F545-F657 HydrophobicContact CD1-CE2 3.53Å; F545-F657 HydrophobicContact CD1-CZ 4.19Å; F545-F657 AromaticContact CE1-CD2 3.94Å; F545-F657 HydrophobicContact CE1-CD2 3.94Å; F545-F657 AromaticContact CE1-CE2 3.76Å; F545-F657 HydrophobicContact CE1-CE2 3.76Å; L548-F657 HydrophobicContact CB-CD1 3.81Å; L548-F657 HydrophobicContact CB-CE1 3.8Å; L548-F657 HydrophobicContact CB-CG 4.23Å; L548-F657 HydrophobicContact CB-CZ 4.22Å; L548-F657 HydrophobicContact CD1-CB 4.21Å; L548-F657 HydrophobicContact CD1-CD1 4.39Å; L548-F657 HydrophobicContact CD1-CD2 3.98Å; L548-F657 HydrophobicContact CD1-CE2 4.44Å; L548-F657 HydrophobicContact CD1-CG 3.95Å; S653-F657 WeakPolarHBondContact O-CD2 3.25Å; S653-F657 PolarHBondContact O-N 2.86Å; L654-F657 PolarHBondContact O-N 2.96Å; L654-F657 VanDerWaalsContact O-N 3.11Å; F657-R660 WeakPolarHBondContact O-CB 3.38Å; F657-R660 PolarHBondContact O-N 3.01Å; F657-F661 HydrophobicContact CB-CE2 4.07Å; F657-F661 HydrophobicContact CB-CZ 4.25Å; F657-F661 HydrophobicContact CD1-CE1 4.43Å; F657-F661 AromaticContact CD1-CZ 3.93Å; F657-F661 HydrophobicContact CD1-CZ 3.93Å; F657-F661 WeakPolarHBondContact O-CD2 3.15Å; F657-F661 VanDerWaalsContact O-CG 3.26Å; F657-F661 WeakPolarHBondContact O-CG 3.44Å; F657-F661 PolarHBondContact O-N 3.37Å
658L89.8Confident89.3Confident26 Ų2638.5 Ų38.514%0.13621%0.214CC..Hα-helixtrans-62.6-48.9177.6-71.7-177.9000112.1F617 T620 L654 S655 R660 F661 V662F617-L658 HydrophobicContact CB-CD2 4.15Å; F617-L658 HydrophobicContact CD2-CD1 4.05Å; F617-L658 HydrophobicContact CD2-CD2 4.49Å; T620-L658 HydrophobicContact CG2-CD1 3.89Å; T620-L658 VanDerWaalsContact OG1-CD1 3.28Å; T620-L658 WeakPolarHBondContact OG1-CD1 3.48Å; L654-L658 PolarHBondContact O-N 2.82Å; S655-L658 PolarHBondContact O-N 3.21Å; L658-R660 PolarHBondContact O-N 3.39Å; L658-F661 HydrophobicContact CD2-CD2 4.29Å; L658-F661 PolarHBondContact O-N 2.79Å; L658-F661 VanDerWaalsContact O-N 3.08Å; L658-V662 WeakPolarHBondContact O-CG2 3.33Å; L658-V662 PolarHBondContact O-N 3.23Å
659L87.8Confident88.8Confident110 Ų11037.7 Ų37.758%0.57621%0.211SC*.Hα-helixtrans-55.2-42.3174.4178.760.7000110.6S655 V662 T663S655-L659 VanDerWaalsContact O-CB 3.27Å; S655-L659 WeakPolarHBondContact O-CB 3.35Å; S655-L659 PolarHBondContact O-N 3.19Å; L659-V662 PolarHBondContact O-N 2.92Å; L659-T663 PolarHBondContact O-N 3.47Å; L659-T663 PolarHBondContact O-OG1 2.89Å; L659-T663 VanDerWaalsContact O-OG1 3.05Å
660R91Very high88.3Confident61 Ų6143.6 Ų43.623%0.2324%0.235CC..Hα-helixtrans-61.5-43.3175.8-179.857167.2-170.1-4.5112.9Y474 E552 L656 F657 L658 T663 L664Y474-R660 HydrophobicContact CD1-CG 4.34Å; Y474-R660 HydrophobicContact CD2-CG 4.47Å; Y474-R660 HydrophobicContact CE1-CB 3.89Å; Y474-R660 HydrophobicContact CE1-CG 3.76Å; Y474-R660 HydrophobicContact CE2-CG 3.92Å; Y474-R660 VanDerWaalsContact CE2-NE 3.31Å; Y474-R660 WeakPolarHBondContact OH-CD 3.45Å; E552-R660 HydrophobicContact CG-CG 3.82Å; E552-R660 IonicContact OE1-CZ 3.61Å; E552-R660 IonicContact OE1-NE 3.48Å; E552-R660 PolarHBondContact OE1-NE 3.18Å; E552-R660 IonicContact OE1-NH2 3.57Å; E552-R660 PolarHBondContact OE1-NH2 3.11Å; L656-R660 VanDerWaalsContact O-CB 3.27Å; L656-R660 WeakPolarHBondContact O-CB 3.43Å; L656-R660 PolarHBondContact O-N 3.49Å; L656-R660 VanDerWaalsContact O-N 3.15Å; F657-R660 WeakPolarHBondContact O-CB 3.38Å; F657-R660 PolarHBondContact O-N 3.01Å; L658-R660 PolarHBondContact O-N 3.39Å; R660-T663 PolarHBondContact O-N 2.98Å; R660-L664 HydrophobicContact CG-CD1 4.04Å; R660-L664 HydrophobicContact CG-CG 4.49Å; R660-L664 WeakPolarHBondContact O-CB 3.49Å; R660-L664 WeakPolarHBondContact O-CG 3.27Å; R660-L664 PolarHBondContact O-N 3.44Å
661F89.6Confident87.8Confident6 Ų646 Ų463%0.02625%0.246CC..Hα-helixtrans-65-39.6176.1-56.7-42.1000112L548 A551 E552 Y555 V613 F657 L658 G665L548-F661 HydrophobicContact CB-CZ 4.38Å; L548-F661 HydrophobicContact CD2-CE2 4.21Å; L548-F661 HydrophobicContact CD2-CZ 4.23Å; A551-F661 HydrophobicContact CB-CE1 3.92Å; A551-F661 HydrophobicContact CB-CZ 4Å; E552-F661 HydrophobicContact CB-CE1 4.01Å; Y555-F661 AromaticContact CD2-CD1 3.84Å; Y555-F661 HydrophobicContact CD2-CD1 3.84Å; Y555-F661 HydrophobicContact CD2-CE1 4.46Å; Y555-F661 HydrophobicContact CE2-CB 4.47Å; Y555-F661 HydrophobicContact CE2-CD1 4.12Å; Y555-F661 HydrophobicContact CE2-CG 4.43Å; V613-F661 HydrophobicContact CB-CD2 4.41Å; V613-F661 HydrophobicContact CG1-CD2 3.95Å; V613-F661 HydrophobicContact CG1-CG 4.5Å; V613-F661 HydrophobicContact CG2-CD1 4.44Å; V613-F661 HydrophobicContact CG2-CD2 3.7Å; V613-F661 HydrophobicContact CG2-CE2 3.9Å; V613-F661 HydrophobicContact CG2-CG 4.01Å; V613-F661 HydrophobicContact CG2-CZ 4.36Å; F657-F661 HydrophobicContact CB-CE2 4.07Å; F657-F661 HydrophobicContact CB-CZ 4.25Å; F657-F661 HydrophobicContact CD1-CE1 4.43Å; F657-F661 AromaticContact CD1-CZ 3.93Å; F657-F661 HydrophobicContact CD1-CZ 3.93Å; F657-F661 WeakPolarHBondContact O-CD2 3.15Å; F657-F661 VanDerWaalsContact O-CG 3.26Å; F657-F661 WeakPolarHBondContact O-CG 3.44Å; F657-F661 PolarHBondContact O-N 3.37Å; L658-F661 HydrophobicContact CD2-CD2 4.29Å; L658-F661 PolarHBondContact O-N 2.79Å; L658-F661 VanDerWaalsContact O-N 3.08Å; F661-G665 PolarHBondContact O-N 3.21Å
662V85.6Confident87.1Confident54 Ų5445.2 Ų45.233%0.32724%0.239SC..Hα-helixtrans-64.5-44.3175.8175.10000111.4L658 L659 S666 F720 L722L658-V662 WeakPolarHBondContact O-CG2 3.33Å; L658-V662 PolarHBondContact O-N 3.23Å; L659-V662 PolarHBondContact O-N 2.92Å; V662-S666 VanDerWaalsContact O-CB 3.27Å; V662-S666 WeakPolarHBondContact O-CB 3.44Å; V662-S666 PolarHBondContact O-N 2.9Å; V662-S666 PolarHBondContact O-OG 3.18Å; V662-F720 HydrophobicContact CG1-CE1 4.45Å; V662-L722 HydrophobicContact CG2-CD1 4.24Å; V662-L722 HydrophobicContact CG2-CD2 4.03Å; V662-L722 HydrophobicContact CG2-CG 4.4Å
663T86.8Confident86.1Confident56 Ų5643.6 Ų43.634%0.34423%0.231SC..Hα-helixtrans-62.9-49.9175.7-58.20000111.7L659 R660 G665 S666 E667L659-T663 PolarHBondContact O-N 3.47Å; L659-T663 PolarHBondContact O-OG1 2.89Å; L659-T663 VanDerWaalsContact O-OG1 3.05Å; R660-T663 PolarHBondContact O-N 2.98Å; T663-G665 PolarHBondContact O-N 3.49Å; T663-S666 PolarHBondContact O-N 2.97Å; T663-S666 PolarHBondContact O-OG 2.89Å; T663-S666 VanDerWaalsContact O-OG 3.12Å; T663-E667 WeakPolarHBondContact O-CB 3.43Å; T663-E667 PolarHBondContact O-N 3.23Å
664L87.7Confident85.1Confident4 Ų445.8 Ų45.82%0.02124%0.243CC..Hα-helixtrans-64.8-38.1179.8-69.1173.1000112.5E552 K556 L559 R660 T668E552-L664 HydrophobicContact CG-CD1 4.12Å; K556-L664 HydrophobicContact CG-CD1 4.44Å; L559-L664 HydrophobicContact CD2-CD2 3.63Å; R660-L664 HydrophobicContact CG-CD1 4.04Å; R660-L664 HydrophobicContact CG-CG 4.49Å; R660-L664 WeakPolarHBondContact O-CB 3.49Å; R660-L664 WeakPolarHBondContact O-CG 3.27Å; R660-L664 PolarHBondContact O-N 3.44Å; L664-T668 WeakPolarHBondContact O-CB 3.45Å; L664-T668 PolarHBondContact O-N 3.44Å; L664-T668 PolarHBondContact O-OG1 3.23Å
665G84Confident84.1Confident3 Ų348.8 Ų48.83%0.03126%0.261CS..Hα-helixtrans-69.3-45.7177.900000112.9F661 T663 T668 S669 F720F661-G665 PolarHBondContact O-N 3.21Å; T663-G665 PolarHBondContact O-N 3.49Å; G665-T668 PolarHBondContact O-N 2.71Å; G665-S669 PolarHBondContact O-N 2.81Å; G665-F720 WeakPolarHBondContact O-CE2 3.42Å
666S80.4Confident83.3Confident47 Ų4749.2 Ų49.233%0.32926%0.264SS..Hα-helixtrans-67.6-39.5176.360.20000112.3V662 T663 T668 S669 K670V662-S666 VanDerWaalsContact O-CB 3.27Å; V662-S666 WeakPolarHBondContact O-CB 3.44Å; V662-S666 PolarHBondContact O-N 2.9Å; V662-S666 PolarHBondContact O-OG 3.18Å; T663-S666 PolarHBondContact O-N 2.97Å; T663-S666 PolarHBondContact O-OG 2.89Å; T663-S666 VanDerWaalsContact O-OG 3.12Å; S666-T668 VanDerWaalsContact C-N 3.35Å; S666-T668 PolarHBondContact O-N 2.98Å; S666-S669 PolarHBondContact O-N 3.31Å; S666-K670 VanDerWaalsContact O-CB 3.26Å; S666-K670 WeakPolarHBondContact O-CB 3.41Å; S666-K670 PolarHBondContact O-N 2.84Å
667E85.4Confident82.6Confident71 Ų7146.4 Ų46.433%0.33225%0.249SC..Hα-helixtrans-56.9-47.1168-92.3-163.1-124.500111.5L559 K563 T663 S669 K670 K671L559-E667 HydrophobicContact CD1-CB 3.77Å; L559-E667 HydrophobicContact CD2-CB 4.36Å; L559-E667 WeakPolarHBondContact CD2-OE2 3.46Å; K563-E667 IonicContact NZ-OE2 2.7Å; T663-E667 WeakPolarHBondContact O-CB 3.43Å; T663-E667 PolarHBondContact O-N 3.23Å; E667-S669 PolarHBondContact O-N 3.43Å; E667-K670 CarbonylContact O-C 3.57Å; E667-K670 PolarHBondContact O-N 2.88Å; E667-K671 WeakPolarHBondContact O-CB 3.33Å; E667-K671 VanDerWaalsContact O-CG 3.28Å; E667-K671 WeakPolarHBondContact O-CG 3.41Å; E667-K671 PolarHBondContact O-N 2.65Å
668T84.1Confident82Confident16 Ų1646.4 Ų46.410%0.09825%0.25CC..Hα-helixtrans-62.3-43.3-179.5-60.80000111.2R558 L559 A562 L664 G665 S666 K671 Y672R558-T668 HydrophobicContact CB-CG2 4.17Å; L559-T668 WeakPolarHBondContact CA-OG1 3.2Å; L559-T668 WeakPolarHBondContact CB-OG1 3.37Å; A562-T668 HydrophobicContact CB-CG2 4.15Å; L664-T668 WeakPolarHBondContact O-CB 3.45Å; L664-T668 PolarHBondContact O-N 3.44Å; L664-T668 PolarHBondContact O-OG1 3.23Å; G665-T668 PolarHBondContact O-N 2.71Å; S666-T668 VanDerWaalsContact C-N 3.35Å; S666-T668 PolarHBondContact O-N 2.98Å; T668-K671 PolarHBondContact O-N 3.02Å; T668-Y672 HydrophobicContact CG2-CD2 4.05Å; T668-Y672 HydrophobicContact CG2-CE2 3.98Å; T668-Y672 WeakPolarHBondContact O-CD2 3.33Å; T668-Y672 PolarHBondContact O-N 3.08Å; T668-Y672 VanDerWaalsContact O-N 3.12Å
669S80.3Confident81.7Confident29 Ų2949.8 Ų49.820%0.20327%0.267CS..Hα-helixtrans-61.2-52.7174.6-166.40000111G665 S666 E667 K671 Y672 S673G665-S669 PolarHBondContact O-N 2.81Å; S666-S669 PolarHBondContact O-N 3.31Å; E667-S669 PolarHBondContact O-N 3.43Å; S669-K671 PolarHBondContact O-N 2.9Å; S669-Y672 PolarHBondContact O-N 3.47Å; S669-S673 PolarHBondContact O-N 3.16Å; S669-S673 PolarHBondContact O-OG 3.46Å; S669-S673 VanDerWaalsContact O-OG 3.08Å
670K81.2Confident81.5Confident155 Ų15548 Ų4867%0.67426%0.261SS*.Hα-helixtrans-58.3-28.5176.4-171.1173.2-176.3174.40112.9S666 E667 N674S666-K670 VanDerWaalsContact O-CB 3.26Å; S666-K670 WeakPolarHBondContact O-CB 3.41Å; S666-K670 PolarHBondContact O-N 2.84Å; E667-K670 CarbonylContact O-C 3.57Å; E667-K670 PolarHBondContact O-N 2.88Å; K670-N674 VanDerWaalsContact O-CG 3.25Å; K670-N674 PolarHBondContact O-ND2 3.48Å
671K82.9Confident81.2Confident83 Ų8345.3 Ų45.336%0.36125%0.251SS..Hα-helixtrans-70.9-45.4172.8-74.1-66.9176.4-171.50112L559 A562 K563 E667 T668 S669 N674L559-K671 HydrophobicContact CD1-CG 4.15Å; A562-K671 HydrophobicContact CB-CB 3.59Å; A562-K671 HydrophobicContact CB-CG 4.48Å; K563-K671 HydrophobicContact CG-CD 4.29Å; K563-K671 HydrophobicContact CG-CG 4.44Å; E667-K671 WeakPolarHBondContact O-CB 3.33Å; E667-K671 VanDerWaalsContact O-CG 3.28Å; E667-K671 WeakPolarHBondContact O-CG 3.41Å; E667-K671 PolarHBondContact O-N 2.65Å; T668-K671 PolarHBondContact O-N 3.02Å; S669-K671 PolarHBondContact O-N 2.9Å; K671-N674 VanDerWaalsContact CA-ND2 3.33Å; K671-N674 WeakPolarHBondContact CA-ND2 3.34Å; K671-N674 PolarHBondContact O-ND2 2.85Å
672Y77.7Confident81Confident11 Ų1146.2 Ų46.24%0.04326%0.255CS..Hα-helixtrans-74.5-24.1177.5-78.1-60.2000114.8A562 F565 R597 L600 K601 T668 S669A562-Y672 HydrophobicContact CB-CD1 4.48Å; A562-Y672 HydrophobicContact CB-CD2 3.78Å; A562-Y672 HydrophobicContact CB-CE1 4.23Å; A562-Y672 HydrophobicContact CB-CE2 3.51Å; A562-Y672 HydrophobicContact CB-CG 4.27Å; F565-Y672 HydrophobicContact CB-CE1 4.24Å; F565-Y672 AromaticContact CD1-CD1 3.86Å; F565-Y672 HydrophobicContact CD1-CD1 3.86Å; F565-Y672 AromaticContact CD1-CE1 3.89Å; F565-Y672 HydrophobicContact CD1-CE1 3.89Å; F565-Y672 HydrophobicContact CE1-CD1 4.26Å; F565-Y672 HydrophobicContact CG-CE1 4.11Å; R597-Y672 HydrophobicContact CG-CD1 4.17Å; R597-Y672 PolarHBondContact NE-O 3.02Å; R597-Y672 PolarHBondContact NH2-O 3.39Å; L600-Y672 VanDerWaalsContact C-OH 3.27Å; L600-Y672 WeakPolarHBondContact CB-OH 3.34Å; L600-Y672 PolarHBondContact O-OH 3.02Å; L600-Y672 VanDerWaalsContact O-OH 3.1Å; K601-Y672 HydrophobicContact CB-CE2 4.3Å; K601-Y672 HydrophobicContact CG-CD2 4.31Å; K601-Y672 HydrophobicContact CG-CE2 4.37Å; T668-Y672 HydrophobicContact CG2-CD2 4.05Å; T668-Y672 HydrophobicContact CG2-CE2 3.98Å; T668-Y672 WeakPolarHBondContact O-CD2 3.33Å; T668-Y672 PolarHBondContact O-N 3.08Å; T668-Y672 VanDerWaalsContact O-N 3.12Å; S669-Y672 PolarHBondContact O-N 3.47Å
673S71.4Confident81Confident42 Ų4248 Ų4829%0.29426%0.262SS..THydrogen-bonded Turntrans-96.714.7-18067.70000114.5S669 T675 D717S669-S673 PolarHBondContact O-N 3.16Å; S669-S673 PolarHBondContact O-OG 3.46Å; S669-S673 VanDerWaalsContact O-OG 3.08Å; S673-T675 VanDerWaalsContact C-N 3.34Å; S673-T675 PolarHBondContact O-N 2.97Å; S673-D717 VanDerWaalsContact CB-OD2 3.26Å; S673-D717 WeakPolarHBondContact CB-OD2 3.36Å
674N73.3Confident80.9Confident49 Ų4947.8 Ų47.826%0.26226%0.259SS..  trans-64.385.6177.9-84.4-61.4000113.1K670 K671 S676 I677K670-N674 VanDerWaalsContact O-CG 3.25Å; K670-N674 PolarHBondContact O-ND2 3.48Å; K671-N674 VanDerWaalsContact CA-ND2 3.33Å; K671-N674 WeakPolarHBondContact CA-ND2 3.34Å; K671-N674 PolarHBondContact O-ND2 2.85Å; N674-S676 PolarHBondContact O-N 3.49Å; N674-S676 VanDerWaalsContact O-N 3.16Å; N674-I677 HydrophobicContact CB-CD1 4.01Å; N674-I677 HydrophobicContact CB-CG1 4.1Å; N674-I677 PolarHBondContact O-N 3.4Å; N674-I677 VanDerWaalsContact O-N 3.11Å
675T70.7Confident80.8Confident65 Ų6547.7 Ų47.740%0.39926%0.258SS..Hα-helixtrans-55.6-25.7168.3520000112.7S673 I677 L678 L679 T710 K714S673-T675 VanDerWaalsContact C-N 3.34Å; S673-T675 PolarHBondContact O-N 2.97Å; T675-I677 VanDerWaalsContact C-N 3.28Å; T675-I677 PolarHBondContact O-N 2.89Å; T675-L678 PolarHBondContact O-N 3.07Å; T675-L678 VanDerWaalsContact O-N 3.13Å; T675-L679 WeakPolarHBondContact O-CB 3.38Å; T675-L679 PolarHBondContact O-N 3.03Å; T675-T710 HydrophobicContact CG2-CG2 4.42Å; T675-K714 HydrophobicContact CG2-CG 4.4Å
676S74.1Confident80.7Confident59 Ų5953.1 Ų53.141%0.41328%0.279SS..Hα-helixtrans-57.7-34174.254.80000113.7N674 T680N674-S676 PolarHBondContact O-N 3.49Å; N674-S676 VanDerWaalsContact O-N 3.16Å; S676-T680 WeakPolarHBondContact O-CB 3.48Å; S676-T680 PolarHBondContact O-N 2.87Å; S676-T680 PolarHBondContact O-OG1 3.31Å
677I78.6Confident80.9Confident25 Ų2555.1 Ų55.113%0.12829%0.285CS..Hα-helixtrans-68.8-45.3175.2-64.2175.3000109.9T569 N674 T675 T680 E681T569-I677 HydrophobicContact CG2-CG2 4.16Å; T569-I677 WeakPolarHBondContact OG1-CG2 3.47Å; N674-I677 HydrophobicContact CB-CD1 4.01Å; N674-I677 HydrophobicContact CB-CG1 4.1Å; N674-I677 PolarHBondContact O-N 3.4Å; N674-I677 VanDerWaalsContact O-N 3.11Å; T675-I677 VanDerWaalsContact C-N 3.28Å; T675-I677 PolarHBondContact O-N 2.89Å; I677-T680 PolarHBondContact O-N 3.34Å; I677-E681 PolarHBondContact O-N 3.23Å
678L80.2Confident80.7Confident3 Ų354.7 Ų54.72%0.01628%0.282CS..Hα-helixtrans-66.2-42.3179.7-63.3167.3000111.5L584 W593 T675 T680 E681 Q682 L706 T710 L713L584-L678 HydrophobicContact CD1-CD2 4.15Å; W593-L678 HydrophobicContact CE3-CD2 4.43Å; W593-L678 HydrophobicContact CH2-CD1 4.21Å; W593-L678 HydrophobicContact CH2-CD2 3.69Å; W593-L678 HydrophobicContact CH2-CG 4.16Å; W593-L678 HydrophobicContact CZ2-CD2 4.2Å; W593-L678 HydrophobicContact CZ3-CD2 3.81Å; T675-L678 PolarHBondContact O-N 3.07Å; T675-L678 VanDerWaalsContact O-N 3.13Å; L678-T680 VanDerWaalsContact C-N 3.34Å; L678-T680 PolarHBondContact O-N 3.31Å; L678-E681 PolarHBondContact O-N 2.89Å; L678-Q682 WeakPolarHBondContact O-CG 3.33Å; L678-Q682 PolarHBondContact O-N 3.48Å; L678-L706 HydrophobicContact CD2-CD1 3.65Å; L678-T710 HydrophobicContact CD1-CG2 4.19Å; L678-L713 HydrophobicContact CD1-CD2 3.95Å
679L82.2Confident80.6Confident96 Ų9654.9 Ų54.950%0.50328%0.282SS..Hα-helixtrans-62.1-40.4174-174.266.8000111.6T675 Q682 I683T675-L679 WeakPolarHBondContact O-CB 3.38Å; T675-L679 PolarHBondContact O-N 3.03Å; L679-Q682 WeakPolarHBondContact O-CB 3.25Å; L679-Q682 PolarHBondContact O-N 2.78Å; L679-I683 HydrophobicContact CG-CD1 4.3Å; L679-I683 WeakPolarHBondContact O-CG1 3.24Å; L679-I683 PolarHBondContact O-N 3.39Å
680T84.6Confident80.6Confident73 Ų7360.2 Ų60.245%0.44830%0.304SS..Hα-helixtrans-63.2-42.7174.8-580000111.2S676 I677 L678 I683 N684S676-T680 WeakPolarHBondContact O-CB 3.48Å; S676-T680 PolarHBondContact O-N 2.87Å; S676-T680 PolarHBondContact O-OG1 3.31Å; I677-T680 PolarHBondContact O-N 3.34Å; L678-T680 VanDerWaalsContact C-N 3.34Å; L678-T680 PolarHBondContact O-N 3.31Å; T680-I683 PolarHBondContact O-N 2.96Å; T680-N684 WeakPolarHBondContact O-CB 3.23Å; T680-N684 PolarHBondContact O-N 3.32Å; T680-N684 PolarHBondContact O-ND2 3.08Å
681E84.6Confident80.8Confident5 Ų561 Ų612%0.02331%0.307CS..Hα-helixtrans-65.7-37.5173.9-69.4-65.1110.900112.1R583 L584 I677 L678 N684 L685 L706R583-E681 WeakPolarHBondContact CD-OE1 3.48Å; R583-E681 WeakPolarHBondContact CD-OE2 3.46Å; R583-E681 IonicContact CZ-OE1 3.82Å; R583-E681 IonicContact NE-OE1 2.73Å; R583-E681 IonicContact NH1-OE1 2.66Å; R583-E681 PolarHBondContact NH1-OE1 2.73Å; L584-E681 HydrophobicContact CB-CB 4.29Å; L584-E681 HydrophobicContact CB-CG 4.15Å; L584-E681 HydrophobicContact CD1-CB 4.36Å; L584-E681 HydrophobicContact CD1-CG 4.01Å; L584-E681 HydrophobicContact CG-CG 3.97Å; L584-E681 PolarHBondContact N-OE2 2.96Å; I677-E681 PolarHBondContact O-N 3.23Å; L678-E681 PolarHBondContact O-N 2.89Å; E681-N684 CarbonylContact O-C 3.54Å; E681-N684 PolarHBondContact O-N 2.94Å; E681-L685 WeakPolarHBondContact O-CG 3.15Å; E681-L685 PolarHBondContact O-N 3.38Å; E681-L706 HydrophobicContact CB-CD2 3.98Å
682Q84.4Confident80.7Confident25 Ų2563.2 Ų63.212%0.11732%0.317CS..Hα-helixtrans-60-47.7173.2-73.1170.40.700111.8L678 L679 N684 L685 Y686 L706L678-Q682 WeakPolarHBondContact O-CG 3.33Å; L678-Q682 PolarHBondContact O-N 3.48Å; L679-Q682 WeakPolarHBondContact O-CB 3.25Å; L679-Q682 PolarHBondContact O-N 2.78Å; Q682-N684 VanDerWaalsContact C-N 3.32Å; Q682-N684 PolarHBondContact O-N 3.26Å; Q682-L685 WeakPolarHBondContact O-CB 3.12Å; Q682-L685 PolarHBondContact O-N 3.3Å; Q682-Y686 VanDerWaalsContact O-CD2 3.27Å; Q682-Y686 WeakPolarHBondContact O-CD2 3.17Å; Q682-Y686 PolarHBondContact O-N 3.01Å; Q682-L706 HydrophobicContact CG-CD2 3.61Å; Q682-L706 HydrophobicContact CG-CG 4.02Å
683I86.2Confident80.6Confident92 Ų9266.7 Ų66.747%0.47234%0.341SS..Hα-helixtrans-61.2-42175.7-65.5163.7000110.7L679 T680 L685 Y686 L687L679-I683 HydrophobicContact CG-CD1 4.3Å; L679-I683 WeakPolarHBondContact O-CG1 3.24Å; L679-I683 PolarHBondContact O-N 3.39Å; T680-I683 PolarHBondContact O-N 2.96Å; I683-L685 PolarHBondContact O-N 3.48Å; I683-Y686 PolarHBondContact O-N 2.79Å; I683-L687 HydrophobicContact CG2-CD1 4.06Å; I683-L687 WeakPolarHBondContact O-CG 3.25Å; I683-L687 PolarHBondContact O-N 3.33Å; I683-L687 VanDerWaalsContact O-N 3.08Å
684N85.5Confident80.9Confident51 Ų5172.2 Ų72.227%0.27337%0.367SS..Hα-helixtrans-67.1-21.2175.1-81.1-104.3000113.5R583 T680 E681 Q682 K688R583-N684 PolarHBondContact NH1-ND2 3.44Å; R583-N684 PolarHBondContact NH1-OD1 3.32Å; R583-N684 PolarHBondContact NH2-OD1 2.91Å; T680-N684 WeakPolarHBondContact O-CB 3.23Å; T680-N684 PolarHBondContact O-N 3.32Å; T680-N684 PolarHBondContact O-ND2 3.08Å; E681-N684 CarbonylContact O-C 3.54Å; E681-N684 PolarHBondContact O-N 2.94Å; Q682-N684 VanDerWaalsContact C-N 3.32Å; Q682-N684 PolarHBondContact O-N 3.26Å; N684-K688 WeakPolarHBondContact O-CB 3.41Å
685L84Confident81.2Confident1 Ų174.9 Ų74.91%0.00538%0.376CS..Hα-helixtrans-79.2-45.3171.3-74.9164.8000111.2E681 Q682 I683 K688 M689 L699 V702 N703 L706E681-L685 WeakPolarHBondContact O-CG 3.15Å; E681-L685 PolarHBondContact O-N 3.38Å; Q682-L685 WeakPolarHBondContact O-CB 3.12Å; Q682-L685 PolarHBondContact O-N 3.3Å; I683-L685 PolarHBondContact O-N 3.48Å; L685-K688 CarbonylContact O-C 3.55Å; L685-K688 WeakPolarHBondContact O-CA 3.35Å; L685-K688 WeakPolarHBondContact O-CB 3.43Å; L685-K688 PolarHBondContact O-N 2.97Å; L685-M689 WeakPolarHBondContact O-CG 3.47Å; L685-M689 PolarHBondContact O-N 3.3Å; L685-L699 HydrophobicContact CD2-CD2 3.71Å; L685-V702 HydrophobicContact CD1-CG1 3.87Å; L685-V702 HydrophobicContact CD2-CG1 3.91Å; L685-N703 HydrophobicContact CD1-CB 4.46Å; L685-L706 HydrophobicContact CD1-CD2 3.67Å
686Y82.2Confident81.6Confident117 Ų11777.9 Ų77.946%0.45938%0.384SS..Hα-helixtrans-56.9-51.9176.3-83.2-72.3000112Q682 I683 K688 M689 E690 N703 K707Q682-Y686 VanDerWaalsContact O-CD2 3.27Å; Q682-Y686 WeakPolarHBondContact O-CD2 3.17Å; Q682-Y686 PolarHBondContact O-N 3.01Å; I683-Y686 PolarHBondContact O-N 2.79Å; Y686-K688 PolarHBondContact O-N 2.74Å; Y686-M689 HydrophobicContact CD1-SD 3.84Å; Y686-M689 HydrophobicContact CE1-SD 4.31Å; Y686-M689 HydrophobicContact CG-SD 4.44Å; Y686-M689 WeakPolarHBondContact O-CB 3.22Å; Y686-M689 PolarHBondContact O-N 3.08Å; Y686-E690 PolarHBondContact O-N 2.88Å; Y686-N703 VanDerWaalsContact CE2-ND2 3.3Å; Y686-N703 WeakPolarHBondContact CE2-ND2 3.36Å; Y686-N703 PolarHBondContact OH-ND2 2.79Å; Y686-K707 PolarHBondContact OH-NZ 3.23Å
687L84.6Confident81.9Confident90 Ų9083.1 Ų83.147%0.47140%0.402SS..Hα-helixtrans-59.5-18.6174.7-67.5169000113.7I683 K691I683-L687 HydrophobicContact CG2-CD1 4.06Å; I683-L687 WeakPolarHBondContact O-CG 3.25Å; I683-L687 PolarHBondContact O-N 3.33Å; I683-L687 VanDerWaalsContact O-N 3.08Å; L687-K691 WeakPolarHBondContact O-CG 3.27Å; L687-K691 PolarHBondContact O-N 2.96Å
688K81.4Confident82.1Confident62 Ų6285.5 Ų85.527%0.2741%0.412SS..Hα-helixtrans-93.6-24.3177.5-171.5173.9177.8-85.40112.8K585 N684 L685 Y686 K692 L699K585-K688 HydrophobicContact CD-CD 4.4Å; N684-K688 WeakPolarHBondContact O-CB 3.41Å; L685-K688 CarbonylContact O-C 3.55Å; L685-K688 WeakPolarHBondContact O-CA 3.35Å; L685-K688 WeakPolarHBondContact O-CB 3.43Å; L685-K688 PolarHBondContact O-N 2.97Å; Y686-K688 PolarHBondContact O-N 2.74Å; K688-K692 PolarHBondContact O-N 3.38Å; K688-L699 HydrophobicContact CB-CD1 4.31Å; K688-L699 HydrophobicContact CD-CD2 4.21Å; K688-L699 HydrophobicContact CG-CD1 3.95Å; K688-L699 HydrophobicContact CG-CD2 4.44Å; K688-L699 WeakPolarHBondContact O-CD1 3.49Å
689M82.1Confident82.2Confident19 Ų1985.3 Ų85.39%0.09441%0.412CS..Hα-helixtrans-66.6-49.8168.8-65.5161.5170.900109.7L685 Y686 K692 L699 N703L685-M689 WeakPolarHBondContact O-CG 3.47Å; L685-M689 PolarHBondContact O-N 3.3Å; Y686-M689 HydrophobicContact CD1-SD 3.84Å; Y686-M689 HydrophobicContact CE1-SD 4.31Å; Y686-M689 HydrophobicContact CG-SD 4.44Å; Y686-M689 WeakPolarHBondContact O-CB 3.22Å; Y686-M689 PolarHBondContact O-N 3.08Å; M689-K692 CarbonylContact O-C 3.59Å; M689-K692 PolarHBondContact O-N 3.08Å; M689-L699 HydrophobicContact CE-CB 3.95Å; M689-L699 WeakPolarHBondContact CE-O 3.15Å; M689-L699 HydrophobicContact CG-CB 3.67Å; M689-L699 HydrophobicContact CG-CD1 4.09Å; M689-N703 HydrophobicContact CE-CB 3.79Å
690E81.5Confident82.4Confident142 Ų14283.1 Ų83.166%0.66440%0.402SS*.Hα-helixtrans-55.3-51.8176.9-177.4179.7-149.900111.4Y686 K692Y686-E690 PolarHBondContact O-N 2.88Å; E690-K692 VanDerWaalsContact C-N 3.31Å; E690-K692 PolarHBondContact O-N 2.95Å
691K84.7Confident82.4Confident170 Ų17084.6 Ų84.674%0.73941%0.407SS*.THydrogen-bonded Turntrans-74.4-10.5179.6-68.4-171.1178.6-164.30115.5L687L687-K691 WeakPolarHBondContact O-CG 3.27Å; L687-K691 PolarHBondContact O-N 2.96Å
692K80.1Confident82.4Confident131 Ų13184.5 Ų84.557%0.5741%0.406SS*.  trans-146.875.4179.5-67.7-156.6175.5-140.40111.8K688 M689 E690 N694 K695K688-K692 PolarHBondContact O-N 3.38Å; M689-K692 CarbonylContact O-C 3.59Å; M689-K692 PolarHBondContact O-N 3.08Å; E690-K692 VanDerWaalsContact C-N 3.31Å; E690-K692 PolarHBondContact O-N 2.95Å; K692-N694 PolarHBondContact O-N 3Å; K692-K695 PolarHBondContact O-N 2.94Å; K692-K695 VanDerWaalsContact O-N 3.09Å
693P76.4Confident82.5Confident84 Ų8483.4 Ų83.455%0.54540%0.402SS..G310 helixtrans-57.3-34.2-17921-32.2000113.2K695 K696P693-K695 PolarHBondContact O-N 3.23Å; P693-K696 WeakPolarHBondContact O-CB 3.31Å; P693-K696 PolarHBondContact O-N 3.08Å
694N77.3Confident82.6Confident158 Ų15882.6 Ų82.685%0.84540%0.398SS*.G310 helixtrans-62.8-2.2178.3-48.229.9000114.3K692K692-N694 PolarHBondContact O-N 3Å
695K79.1Confident82.6Confident104 Ų10481.6 Ų81.645%0.45239%0.394SS..G310 helixtrans-13120171.4-72.7-171.9159.7-680112.9K692 P693 E697 E698 L699K692-K695 PolarHBondContact O-N 2.94Å; K692-K695 VanDerWaalsContact O-N 3.09Å; P693-K695 PolarHBondContact O-N 3.23Å; K695-E697 VanDerWaalsContact C-N 3.32Å; K695-E697 PolarHBondContact O-N 3.34Å; K695-E698 WeakPolarHBondContact CD-OE2 3.29Å; K695-E698 IonicContact NZ-OE2 2.66Å; K695-E698 PolarHBondContact NZ-OE2 3.04Å; K695-E698 PolarHBondContact O-N 3.36Å; K695-L699 HydrophobicContact CB-CD1 4.4Å; K695-L699 WeakPolarHBondContact O-CB 3.08Å; K695-L699 WeakPolarHBondContact O-CD1 3.34Å; K695-L699 VanDerWaalsContact O-CG 3.25Å; K695-L699 WeakPolarHBondContact O-CG 3.17Å; K695-L699 PolarHBondContact O-N 3.26Å
696K80.9Confident82.7Confident129 Ų12981.6 Ų81.656%0.56139%0.394SS*.Hα-helixtrans-57.9-40.9-177.5-175.7177.1178.8-176.10112.2P693 T700P693-K696 WeakPolarHBondContact O-CB 3.31Å; P693-K696 PolarHBondContact O-N 3.08Å; K696-T700 VanDerWaalsContact O-CB 3.28Å; K696-T700 WeakPolarHBondContact O-CB 3.36Å; K696-T700 PolarHBondContact O-N 3.4Å; K696-T700 PolarHBondContact O-OG1 2.9Å
697E80.1Confident82.9Confident169 Ų16979.4 Ų79.479%0.7939%0.387SS*.Hα-helixtrans-66.6-52.9178.8-67.9169.8-166.800112.6K695 L699 T700 L701K695-E697 VanDerWaalsContact C-N 3.32Å; K695-E697 PolarHBondContact O-N 3.34Å; E697-L699 PolarHBondContact O-N 3.13Å; E697-T700 WeakPolarHBondContact O-CA 3.49Å; E697-T700 PolarHBondContact O-N 3.44Å; E697-L701 PolarHBondContact O-N 2.97Å
698E81.1Confident82.9Confident74 Ų7480.8 Ų80.835%0.34639%0.394SS..Hα-helixtrans-51.8-45.4174.5-174.5-168.7171.800110.7K695 V702K695-E698 WeakPolarHBondContact CD-OE2 3.29Å; K695-E698 IonicContact NZ-OE2 2.66Å; K695-E698 PolarHBondContact NZ-OE2 3.04Å; K695-E698 PolarHBondContact O-N 3.36Å; E698-V702 VanDerWaalsContact O-CG2 3.23Å; E698-V702 WeakPolarHBondContact O-CG2 3.35Å; E698-V702 PolarHBondContact O-N 2.91Å; E698-V702 VanDerWaalsContact O-N 3.07Å
699L83.8Confident83Confident0 Ų078.3 Ų78.30%039%0.385CS..Hα-helixtrans-70.4-30178.1-67169.4000113.2L685 K688 M689 K695 E697 N703L685-L699 HydrophobicContact CD2-CD2 3.71Å; K688-L699 HydrophobicContact CB-CD1 4.31Å; K688-L699 HydrophobicContact CD-CD2 4.21Å; K688-L699 HydrophobicContact CG-CD1 3.95Å; K688-L699 HydrophobicContact CG-CD2 4.44Å; K688-L699 WeakPolarHBondContact O-CD1 3.49Å; M689-L699 HydrophobicContact CE-CB 3.95Å; M689-L699 WeakPolarHBondContact CE-O 3.15Å; M689-L699 HydrophobicContact CG-CB 3.67Å; M689-L699 HydrophobicContact CG-CD1 4.09Å; K695-L699 HydrophobicContact CB-CD1 4.4Å; K695-L699 WeakPolarHBondContact O-CB 3.08Å; K695-L699 WeakPolarHBondContact O-CD1 3.34Å; K695-L699 VanDerWaalsContact O-CG 3.25Å; K695-L699 WeakPolarHBondContact O-CG 3.17Å; K695-L699 PolarHBondContact O-N 3.26Å; E697-L699 PolarHBondContact O-N 3.13Å; L699-N703 VanDerWaalsContact O-CB 3.3Å; L699-N703 WeakPolarHBondContact O-CB 3.38Å; L699-N703 PolarHBondContact O-N 2.91Å
700T85.5Confident83Confident49 Ų4978.3 Ų78.330%0.30139%0.386SS..Hα-helixtrans-74.2-41178.2-60.50000110.6K696 E697 N703 N704K696-T700 VanDerWaalsContact O-CB 3.28Å; K696-T700 WeakPolarHBondContact O-CB 3.36Å; K696-T700 PolarHBondContact O-N 3.4Å; K696-T700 PolarHBondContact O-OG1 2.9Å; E697-T700 WeakPolarHBondContact O-CA 3.49Å; E697-T700 PolarHBondContact O-N 3.44Å; T700-N703 PolarHBondContact O-N 3.18Å; T700-N704 WeakPolarHBondContact O-CB 3.07Å; T700-N704 VanDerWaalsContact O-CG 3.25Å; T700-N704 PolarHBondContact O-N 3.12Å
701L84.5Confident83.1Confident105 Ų10579.1 Ų79.155%0.5539%0.387SS..Hα-helixtrans-57.5-48.9168.9178.862.2000110.9V587 E697 N703 N704 V705V587-L701 HydrophobicContact CG2-CG 4.38Å; E697-L701 PolarHBondContact O-N 2.97Å; L701-N703 PolarHBondContact O-N 3.43Å; L701-N704 PolarHBondContact O-N 3.22Å; L701-V705 HydrophobicContact CD1-CG2 4.27Å; L701-V705 WeakPolarHBondContact O-CG2 3.25Å; L701-V705 PolarHBondContact O-N 3Å
702V84.9Confident82.8Confident2 Ų273.4 Ų73.41%0.01236%0.364CS..Hα-helixtrans-60.6-42.4177.4173.30000112L584 V587 I590 L685 E698 L706L584-V702 WeakPolarHBondContact O-CG1 3.45Å; V587-V702 HydrophobicContact CG2-CG2 3.93Å; I590-V702 HydrophobicContact CD1-CG1 3.89Å; L685-V702 HydrophobicContact CD1-CG1 3.87Å; L685-V702 HydrophobicContact CD2-CG1 3.91Å; E698-V702 VanDerWaalsContact O-CG2 3.23Å; E698-V702 WeakPolarHBondContact O-CG2 3.35Å; E698-V702 PolarHBondContact O-N 2.91Å; E698-V702 VanDerWaalsContact O-N 3.07Å; V702-L706 VanDerWaalsContact O-CB 3.23Å; V702-L706 WeakPolarHBondContact O-CB 3.48Å; V702-L706 PolarHBondContact O-N 3.39Å
703N86.8Confident82.7Confident3 Ų367.5 Ų67.52%0.01634%0.339CS..Hα-helixtrans-64.2-41.8176.2-173.517.7000111.9L685 Y686 M689 L699 T700 L701 L706 K707L685-N703 HydrophobicContact CD1-CB 4.46Å; Y686-N703 VanDerWaalsContact CE2-ND2 3.3Å; Y686-N703 WeakPolarHBondContact CE2-ND2 3.36Å; Y686-N703 PolarHBondContact OH-ND2 2.79Å; M689-N703 HydrophobicContact CE-CB 3.79Å; L699-N703 VanDerWaalsContact O-CB 3.3Å; L699-N703 WeakPolarHBondContact O-CB 3.38Å; L699-N703 PolarHBondContact O-N 2.91Å; T700-N703 PolarHBondContact O-N 3.18Å; L701-N703 PolarHBondContact O-N 3.43Å; N703-L706 PolarHBondContact O-N 3.34Å; N703-K707 WeakPolarHBondContact O-CG 3.27Å; N703-K707 PolarHBondContact O-N 2.92Å; N703-K707 WeakPolarHBondContact OD1-CE 3.37Å
704N88.2Confident82.8Confident75 Ų7570.6 Ų70.640%0.40134%0.344SS..Hα-helixtrans-66.2-47.1177.2-71.9-12.4000111.4T700 L701 L706 K707 L708T700-N704 WeakPolarHBondContact O-CB 3.07Å; T700-N704 VanDerWaalsContact O-CG 3.25Å; T700-N704 PolarHBondContact O-N 3.12Å; L701-N704 PolarHBondContact O-N 3.22Å; N704-L706 VanDerWaalsContact C-N 3.27Å; N704-L706 PolarHBondContact O-N 3.15Å; N704-K707 WeakPolarHBondContact O-CB 3.38Å; N704-K707 PolarHBondContact O-N 2.94Å; N704-K707 VanDerWaalsContact O-N 3.09Å; N704-L708 WeakPolarHBondContact O-CD1 3.47Å; N704-L708 PolarHBondContact O-N 3.04Å
705V86.4Confident82.6Confident30 Ų3070.5 Ų70.518%0.18234%0.338CS..Hα-helixtrans-58-40.2172.8172.60000111.1I51 V587 I590 L701 K707 L708 A709I51-V705 HydrophobicContact CD1-CG1 3.9Å; V587-V705 HydrophobicContact CG1-CG1 4.42Å; V587-V705 HydrophobicContact CG2-CG2 4.32Å; I590-V705 HydrophobicContact CD1-CB 4.45Å; I590-V705 HydrophobicContact CD1-CG1 4.12Å; I590-V705 HydrophobicContact CG2-CG1 4.33Å; L701-V705 HydrophobicContact CD1-CG2 4.27Å; L701-V705 WeakPolarHBondContact O-CG2 3.25Å; L701-V705 PolarHBondContact O-N 3Å; V705-K707 PolarHBondContact O-N 2.92Å; V705-L708 PolarHBondContact O-N 3.42Å; V705-A709 VanDerWaalsContact O-CB 3.31Å; V705-A709 WeakPolarHBondContact O-CB 3.26Å; V705-A709 PolarHBondContact O-N 3.44Å
706L85.5Confident82Confident0 Ų068 Ų680%033%0.329CS..Hα-helixtrans-66.7-34.8176.4-16959.7000112.5L584 I590 L678 E681 Q682 L685 V702 N703 N704 T710L584-L706 HydrophobicContact CD1-CD1 3.84Å; I590-L706 HydrophobicContact CD1-CB 3.89Å; I590-L706 HydrophobicContact CD1-CD1 4.11Å; I590-L706 HydrophobicContact CG1-CD1 4.29Å; L678-L706 HydrophobicContact CD2-CD1 3.65Å; E681-L706 HydrophobicContact CB-CD2 3.98Å; Q682-L706 HydrophobicContact CG-CD2 3.61Å; Q682-L706 HydrophobicContact CG-CG 4.02Å; L685-L706 HydrophobicContact CD1-CD2 3.67Å; V702-L706 VanDerWaalsContact O-CB 3.23Å; V702-L706 WeakPolarHBondContact O-CB 3.48Å; V702-L706 PolarHBondContact O-N 3.39Å; N703-L706 PolarHBondContact O-N 3.34Å; N704-L706 VanDerWaalsContact C-N 3.27Å; N704-L706 PolarHBondContact O-N 3.15Å; L706-T710 WeakPolarHBondContact O-CB 3.46Å; L706-T710 PolarHBondContact O-N 2.87Å; L706-T710 PolarHBondContact O-OG1 3.03Å
707K85.9Confident81.3Confident72 Ų7262.9 Ų62.931%0.31331%0.309SS..Hα-helixtrans-68-44.6172.2-73.7169.6-177.5174.70111.9Y686 N703 N704 V705 T710 K711Y686-K707 PolarHBondContact OH-NZ 3.23Å; N703-K707 WeakPolarHBondContact O-CG 3.27Å; N703-K707 PolarHBondContact O-N 2.92Å; N703-K707 WeakPolarHBondContact OD1-CE 3.37Å; N704-K707 WeakPolarHBondContact O-CB 3.38Å; N704-K707 PolarHBondContact O-N 2.94Å; N704-K707 VanDerWaalsContact O-N 3.09Å; V705-K707 PolarHBondContact O-N 2.92Å; K707-T710 PolarHBondContact O-N 3.45Å; K707-K711 PolarHBondContact O-N 3.38Å
708L84.9Confident80.2Confident119 Ų11958.4 Ų58.462%0.62329%0.293SS*.Hα-helixtrans-60.6-48.6174.5-88.476.7000110.9N704 V705 T710 K711 L712N704-L708 WeakPolarHBondContact O-CD1 3.47Å; N704-L708 PolarHBondContact O-N 3.04Å; V705-L708 PolarHBondContact O-N 3.42Å; L708-T710 PolarHBondContact O-N 2.93Å; L708-K711 PolarHBondContact O-N 2.88Å; L708-K711 VanDerWaalsContact O-N 3.12Å; L708-L712 WeakPolarHBondContact O-CB 3.08Å; L708-L712 PolarHBondContact O-N 2.9Å
709A82.7Confident78.7Confident9 Ų960.1 Ų60.17%0.07431%0.31CS..Hα-helixtrans-58.2-36.4174.600000112.3I590 L594 V705 L713I590-A709 HydrophobicContact CG2-CB 4.42Å; L594-A709 HydrophobicContact CD1-CB 4.15Å; L594-A709 HydrophobicContact CD2-CB 4.48Å; V705-A709 VanDerWaalsContact O-CB 3.31Å; V705-A709 WeakPolarHBondContact O-CB 3.26Å; V705-A709 PolarHBondContact O-N 3.44Å; A709-L713 WeakPolarHBondContact O-CB 3.47Å; A709-L713 WeakPolarHBondContact O-CD1 3.34Å; A709-L713 PolarHBondContact O-N 2.9Å
710T83.5Confident76.8Confident20 Ų2063.1 Ų63.112%0.12332%0.324CS..Hα-helixtrans-69.3-37.7175.9-56.10000112.5T675 L678 L706 K707 L708 K714T675-T710 HydrophobicContact CG2-CG2 4.42Å; L678-T710 HydrophobicContact CD1-CG2 4.19Å; L706-T710 WeakPolarHBondContact O-CB 3.46Å; L706-T710 PolarHBondContact O-N 2.87Å; L706-T710 PolarHBondContact O-OG1 3.03Å; K707-T710 PolarHBondContact O-N 3.45Å; L708-T710 PolarHBondContact O-N 2.93Å; T710-K714 WeakPolarHBondContact O-CG 3.32Å; T710-K714 PolarHBondContact O-N 2.87Å
711K83.5Confident75.1Confident159 Ų15967.9 Ų67.969%0.69134%0.336SS*.Hα-helixtrans-63.1-54.4172.4-73.1-174.4174.6-171.30110.6K707 L708 L713 K714 E715K707-K711 PolarHBondContact O-N 3.38Å; L708-K711 PolarHBondContact O-N 2.88Å; L708-K711 VanDerWaalsContact O-N 3.12Å; K711-L713 VanDerWaalsContact C-N 3.26Å; K711-L713 PolarHBondContact O-N 3.06Å; K711-K714 WeakPolarHBondContact O-CB 3.47Å; K711-K714 PolarHBondContact O-N 3.26Å; K711-E715 PolarHBondContact O-N 3.18Å; K711-E715 VanDerWaalsContact O-N 3.1Å
712L78.3Confident73.2Confident49 Ų4965.6 Ų65.626%0.25732%0.324SS..Hα-helixtrans-60.9-31.4-179.3177.8149.4000112.5V56 L708 E715 L716V56-L712 HydrophobicContact CB-CD2 4.1Å; V56-L712 HydrophobicContact CG1-CD2 3.39Å; L708-L712 WeakPolarHBondContact O-CB 3.08Å; L708-L712 PolarHBondContact O-N 2.9Å; L712-E715 PolarHBondContact O-N 3.23Å; L712-L716 HydrophobicContact CD2-CD1 3.51Å; L712-L716 HydrophobicContact CD2-CG 4.33Å; L712-L716 HydrophobicContact CG-CD1 4.08Å; L712-L716 HydrophobicContact CG-CG 4.46Å; L712-L716 WeakPolarHBondContact O-CB 3.16Å; L712-L716 VanDerWaalsContact O-CG 3.27Å; L712-L716 WeakPolarHBondContact O-CG 3.21Å; L712-L716 PolarHBondContact O-N 3.1Å
713L77.9Confident71.3Confident7 Ų771 Ų714%0.03735%0.345CS..Hα-helixtrans-67.3-39.8171-105.464.5000113.3V56 W593 L594 L678 A709 K711 E715 D717V56-L713 HydrophobicContact CG1-CD1 4.22Å; W593-L713 HydrophobicContact CH2-CD2 3.81Å; W593-L713 HydrophobicContact CZ3-CD2 3.82Å; L594-L713 HydrophobicContact CD2-CD1 3.64Å; L678-L713 HydrophobicContact CD1-CD2 3.95Å; A709-L713 WeakPolarHBondContact O-CB 3.47Å; A709-L713 WeakPolarHBondContact O-CD1 3.34Å; A709-L713 PolarHBondContact O-N 2.9Å; K711-L713 VanDerWaalsContact C-N 3.26Å; K711-L713 PolarHBondContact O-N 3.06Å; L713-E715 VanDerWaalsContact C-N 3.28Å; L713-E715 PolarHBondContact O-N 3.3Å; L713-D717 VanDerWaalsContact O-CB 3.3Å; L713-D717 WeakPolarHBondContact O-CB 3.46Å; L713-D717 PolarHBondContact O-N 3.18Å
714K78.6Confident69.5Low150 Ų15073.3 Ų73.365%0.65237%0.37SS*.Hα-helixtrans-65.7-33.4175.6-71.5179174.3-170.70112.3T675 T710 K711T675-K714 HydrophobicContact CG2-CG 4.4Å; T710-K714 WeakPolarHBondContact O-CG 3.32Å; T710-K714 PolarHBondContact O-N 2.87Å; K711-K714 WeakPolarHBondContact O-CB 3.47Å; K711-K714 PolarHBondContact O-N 3.26Å
715E72.5Confident67.3Low155 Ų15571.9 Ų71.972%0.72436%0.362SS*.Hα-helixtrans-77.2-37.8179.9-167.9174.3-179.900112.2K711 L712 L713K711-E715 PolarHBondContact O-N 3.18Å; K711-E715 VanDerWaalsContact O-N 3.1Å; L712-E715 PolarHBondContact O-N 3.23Å; L713-E715 VanDerWaalsContact C-N 3.28Å; L713-E715 PolarHBondContact O-N 3.3Å
716L66.9Low65.2Low51 Ų5171.6 Ų71.627%0.26736%0.36SS..Hα-helixtrans-81.6-27.8177.1-71.1179.5000114.7V56 R57 L712 T718V56-L716 HydrophobicContact CG1-CD1 4.4Å; R57-L716 HydrophobicContact CB-CD1 4.24Å; R57-L716 HydrophobicContact CB-CD2 4.31Å; R57-L716 HydrophobicContact CG-CD2 3.89Å; L712-L716 HydrophobicContact CD2-CD1 3.51Å; L712-L716 HydrophobicContact CD2-CG 4.33Å; L712-L716 HydrophobicContact CG-CD1 4.08Å; L712-L716 HydrophobicContact CG-CG 4.46Å; L712-L716 WeakPolarHBondContact O-CB 3.16Å; L712-L716 VanDerWaalsContact O-CG 3.27Å; L712-L716 WeakPolarHBondContact O-CG 3.21Å; L712-L716 PolarHBondContact O-N 3.1Å; L716-T718 VanDerWaalsContact C-N 3.29Å; L716-T718 PolarHBondContact O-N 3.09Å; L716-T718 VanDerWaalsContact O-N 3.13Å
717D66.4Low63.2Low23 Ų2375.1 Ų75.112%0.12338%0.377CS..SBendtrans-85.471.4174.1-69.2-28.1000110.5R597 K601 S673 L713R597-D717 IonicContact CZ-OD1 3.84Å; R597-D717 IonicContact CZ-OD2 3.06Å; R597-D717 IonicContact NH1-OD1 2.76Å; R597-D717 IonicContact NH2-OD1 2.7Å; R597-D717 PolarHBondContact NH2-OD1 3.49Å; R597-D717 IonicContact NH2-OD2 3.17Å; R597-D717 PolarHBondContact NH2-OD2 3.27Å; K601-D717 IonicContact NZ-OD1 2.73Å; K601-D717 PolarHBondContact NZ-OD1 3.2Å; S673-D717 VanDerWaalsContact CB-OD2 3.26Å; S673-D717 WeakPolarHBondContact CB-OD2 3.36Å; L713-D717 VanDerWaalsContact O-CB 3.3Å; L713-D717 WeakPolarHBondContact O-CB 3.46Å; L713-D717 PolarHBondContact O-N 3.18Å
718T55.8Low61.7Low75 Ų7575 Ų7546%0.4638%0.381SS..  trans-47.9143.9165.658.50000110.3L716L716-T718 VanDerWaalsContact C-N 3.29Å; L716-T718 PolarHBondContact O-N 3.09Å; L716-T718 VanDerWaalsContact O-N 3.13Å
719P49.6Very low60.3Low109 Ų10973.6 Ų73.671%0.70838%0.378SS*.SBendtrans-52.1151.217823.3-34.7000111.1R721P719-R721 WeakPolarHBondContact O-CG 3.3Å; P719-R721 PolarHBondContact O-N 3.37Å
720F45.4Very low58.9Low64 Ų6478.4 Ų78.428%0.28140%0.402SS..  trans-56.595.4-167.1177.4-103.7000112.5V662 G665 L722V662-F720 HydrophobicContact CG1-CE1 4.45Å; G665-F720 WeakPolarHBondContact O-CE2 3.42Å; F720-L722 HydrophobicContact CD1-CD1 4.23Å; F720-L722 HydrophobicContact CE1-CD1 3.84Å; F720-L722 HydrophobicContact CE1-CG 4.29Å
721R49Very low57.7Low148 Ų14879.8 Ų79.856%0.55841%0.409SS*.  trans-86.5114.9-179.4-91.8177.7179.6-142.33.7108.2P719 Y723 M727P719-R721 WeakPolarHBondContact O-CG 3.3Å; P719-R721 PolarHBondContact O-N 3.37Å; R721-Y723 WeakPolarHBondContact O-CD2 3.36Å; R721-Y723 PolarHBondContact O-N 2.99Å; R721-M727 HydrophobicContact CB-CE 3.53Å; R721-M727 HydrophobicContact CB-SD 3.6Å; R721-M727 VanDerWaalsContact CB-SD 3.6Å; R721-M727 HydrophobicContact CG-CE 3.62Å; R721-M727 HydrophobicContact CG-SD 3.83Å
722L44.2Very low56.8Low58 Ų5878.5 Ų78.530%0.30440%0.4SS..  trans-59.2134173.7-86.578.6000109.3V662 F720 T726 M727V662-L722 HydrophobicContact CG2-CD1 4.24Å; V662-L722 HydrophobicContact CG2-CD2 4.03Å; V662-L722 HydrophobicContact CG2-CG 4.4Å; F720-L722 HydrophobicContact CD1-CD1 4.23Å; F720-L722 HydrophobicContact CE1-CD1 3.84Å; F720-L722 HydrophobicContact CE1-CG 4.29Å; L722-T726 WeakPolarHBondContact CB-OG1 3.28Å; L722-T726 PolarHBondContact O-OG1 2.86Å; L722-M727 WeakPolarHBondContact O-CE 3.48Å; L722-M727 WeakPolarHBondContact O-CG 3.42Å
723Y45.8Very low56.3Low114 Ų11480.2 Ų80.245%0.44741%0.41SS..  trans-76.9150.8-163.8-89.1-106.8000114.1Q606 D610 R721 L725Q606-Y723 PolarHBondContact NE2-OH 3.46Å; D610-Y723 WeakPolarHBondContact OD2-CD1 3.36Å; R721-Y723 WeakPolarHBondContact O-CD2 3.36Å; R721-Y723 PolarHBondContact O-N 2.99Å; Y723-L725 PolarHBondContact O-N 2.85Å
724G48.3Very low55.9Low52 Ų5284.7 Ų84.754%0.53643%0.432SS..THydrogen-bonded Turntrans79.9-84.416600000114.4
725L42.2Very low55.4Low46 Ų4678.3 Ų78.324%0.24141%0.406CS..THydrogen-bonded Turntrans-88.1-46.1-166.9-110.576.4000113.8L618 Y723 M727 N728 L731L618-L725 HydrophobicContact CD1-CD2 3.54Å; L618-L725 HydrophobicContact CD2-CD2 3.98Å; L618-L725 HydrophobicContact CG-CD2 3.81Å; Y723-L725 PolarHBondContact O-N 2.85Å; L725-M727 PolarHBondContact O-N 2.77Å; L725-N728 PolarHBondContact O-N 2.8Å; L725-N728 VanDerWaalsContact O-N 3.14Å; L725-L731 HydrophobicContact CB-CD1 4.3Å; L725-L731 HydrophobicContact CD2-CD1 4.26Å; L725-L731 HydrophobicContact CG-CD1 4.02Å; L725-L731 WeakPolarHBondContact O-CD1 3.24Å
726T41.8Very low55.3Low23 Ų2374.9 Ų74.914%0.14139%0.39CS..THydrogen-bonded Turntrans-663.6173.644.90000113.5F617 L722F617-T726 HydrophobicContact CD1-CG2 4.04Å; F617-T726 HydrophobicContact CE1-CG2 3.4Å; F617-T726 HydrophobicContact CE2-CG2 4.45Å; F617-T726 HydrophobicContact CZ-CG2 3.64Å; L722-T726 WeakPolarHBondContact CB-OG1 3.28Å; L722-T726 PolarHBondContact O-OG1 2.86Å
727M45Very low55.6Low74 Ų7476.5 Ų76.537%0.36540%0.402SS..THydrogen-bonded Turntrans-87.7-15.9172.4-69.1-63.785.700114.1R721 L722 L725 P729R721-M727 HydrophobicContact CB-CE 3.53Å; R721-M727 HydrophobicContact CB-SD 3.6Å; R721-M727 VanDerWaalsContact CB-SD 3.6Å; R721-M727 HydrophobicContact CG-CE 3.62Å; R721-M727 HydrophobicContact CG-SD 3.83Å; L722-M727 WeakPolarHBondContact O-CE 3.48Å; L722-M727 WeakPolarHBondContact O-CG 3.42Å; L725-M727 PolarHBondContact O-N 2.77Å; M727-P729 WeakPolarHBondContact O-CD 3.33Å
728N53.5Low55.8Low71 Ų7178.3 Ų78.338%0.3841%0.414SS..SBendtrans-74.9117.8164.8-177.9-9.7000107.7L725 L730 L731 Y732L725-N728 PolarHBondContact O-N 2.8Å; L725-N728 VanDerWaalsContact O-N 3.14Å; N728-L730 PolarHBondContact O-N 3.21Å; N728-L730 VanDerWaalsContact OD1-CB 3.27Å; N728-L730 WeakPolarHBondContact OD1-CB 3.15Å; N728-L730 WeakPolarHBondContact OD1-CG 3.45Å; N728-L730 PolarHBondContact OD1-N 3.37Å; N728-L731 HydrophobicContact CB-CB 4.17Å; N728-L731 HydrophobicContact CB-CD1 4.29Å; N728-L731 HydrophobicContact CB-CG 4.41Å; N728-L731 PolarHBondContact O-N 2.79Å; N728-Y732 PolarHBondContact O-N 2.97Å
729P55.4Low56.5Low88 Ų8878 Ų7857%0.57141%0.409SS*.Hα-helixtrans-59.1-28.7178.525.2-34.5000111.9M727 Y732 N733M727-P729 WeakPolarHBondContact O-CD 3.33Å; P729-Y732 PolarHBondContact O-N 3.14Å; P729-N733 VanDerWaalsContact O-CB 3.3Å; P729-N733 WeakPolarHBondContact O-CB 3.28Å; P729-N733 PolarHBondContact O-N 3.45Å; P729-N733 PolarHBondContact O-OD1 2.98Å
730L52.9Low57.6Low110 Ų11075.2 Ų75.258%0.57639%0.387SS*.Hα-helixtrans-63.4-45.7172.5-55.6175.2000111.4N728 Y732 N733 I734N728-L730 PolarHBondContact O-N 3.21Å; N728-L730 VanDerWaalsContact OD1-CB 3.27Å; N728-L730 WeakPolarHBondContact OD1-CB 3.15Å; N728-L730 WeakPolarHBondContact OD1-CG 3.45Å; N728-L730 PolarHBondContact OD1-N 3.37Å; L730-Y732 VanDerWaalsContact C-N 3.34Å; L730-Y732 PolarHBondContact O-N 3.36Å; L730-N733 PolarHBondContact O-N 3Å; L730-I734 HydrophobicContact CB-CD1 4.47Å; L730-I734 VanDerWaalsContact O-CB 3.23Å; L730-I734 WeakPolarHBondContact O-CB 3.37Å; L730-I734 WeakPolarHBondContact O-CD1 3.39Å; L730-I734 WeakPolarHBondContact O-CG1 3.44Å; L730-I734 PolarHBondContact O-N 3.38Å
731L59.9Low58.7Low50 Ų5074.4 Ų74.426%0.26239%0.39SS..Hα-helixtrans-66.3-36.2176.6-85.6171.5000112.2L725 N728 T735L725-L731 HydrophobicContact CB-CD1 4.3Å; L725-L731 HydrophobicContact CD2-CD1 4.26Å; L725-L731 HydrophobicContact CG-CD1 4.02Å; L725-L731 WeakPolarHBondContact O-CD1 3.24Å; N728-L731 HydrophobicContact CB-CB 4.17Å; N728-L731 HydrophobicContact CB-CD1 4.29Å; N728-L731 HydrophobicContact CB-CG 4.41Å; N728-L731 PolarHBondContact O-N 2.79Å; L731-T735 WeakPolarHBondContact O-CB 3.08Å; L731-T735 PolarHBondContact O-N 3.5Å; L731-T735 PolarHBondContact O-OG1 3.05Å
732Y62.8Low59.7Low131 Ų13168 Ų6851%0.51437%0.369SS..Hα-helixtrans-64.5-50.5173.9-179.9-101.4000111.2N728 P729 L730 T735 Q736N728-Y732 PolarHBondContact O-N 2.97Å; P729-Y732 PolarHBondContact O-N 3.14Å; L730-Y732 VanDerWaalsContact C-N 3.34Å; L730-Y732 PolarHBondContact O-N 3.36Å; Y732-T735 PolarHBondContact O-N 2.57Å; Y732-Q736 WeakPolarHBondContact O-CB 3.48Å; Y732-Q736 PolarHBondContact O-N 2.86Å
733N68.4Low61Low86 Ų8667.9 Ų67.946%0.4637%0.37SS..Hα-helixtrans-63.3-44.6179.7-67.7-2.5000111.8P729 L730 Q736 V737P729-N733 VanDerWaalsContact O-CB 3.3Å; P729-N733 WeakPolarHBondContact O-CB 3.28Å; P729-N733 PolarHBondContact O-N 3.45Å; P729-N733 PolarHBondContact O-OD1 2.98Å; L730-N733 PolarHBondContact O-N 3Å; N733-Q736 PolarHBondContact O-N 2.96Å; N733-V737 WeakPolarHBondContact O-CB 3.24Å; N733-V737 VanDerWaalsContact O-CG2 3.3Å; N733-V737 WeakPolarHBondContact O-CG2 3.25Å; N733-V737 PolarHBondContact O-N 3.32Å
734I70.6Confident62.2Low100 Ų10062.5 Ų62.551%0.51335%0.349SS..Hα-helixtrans-61.1-47174.8-69.3163.6000110L730 Q736 V737 V738L730-I734 HydrophobicContact CB-CD1 4.47Å; L730-I734 VanDerWaalsContact O-CB 3.23Å; L730-I734 WeakPolarHBondContact O-CB 3.37Å; L730-I734 WeakPolarHBondContact O-CD1 3.39Å; L730-I734 WeakPolarHBondContact O-CG1 3.44Å; L730-I734 PolarHBondContact O-N 3.38Å; I734-Q736 VanDerWaalsContact C-N 3.34Å; I734-Q736 PolarHBondContact O-N 3.03Å; I734-V737 PolarHBondContact O-N 3.18Å; I734-V738 HydrophobicContact CG2-CG2 4.17Å; I734-V738 WeakPolarHBondContact O-CB 3.44Å; I734-V738 VanDerWaalsContact O-CG2 3.25Å; I734-V738 WeakPolarHBondContact O-CG2 3.28Å; I734-V738 PolarHBondContact O-N 3.45Å
735T68.1Low63.4Low16 Ų1661 Ų6110%0.09833%0.333CS..Hα-helixtrans-61.6-43.3177.7-59.40000111.3F617 L621 L731 Y732 V738 I739F617-T735 HydrophobicContact CZ-CG2 4.06Å; L621-T735 HydrophobicContact CD1-CG2 3.67Å; L621-T735 HydrophobicContact CD2-CG2 3.64Å; L621-T735 HydrophobicContact CG-CG2 4.32Å; L731-T735 WeakPolarHBondContact O-CB 3.08Å; L731-T735 PolarHBondContact O-N 3.5Å; L731-T735 PolarHBondContact O-OG1 3.05Å; Y732-T735 PolarHBondContact O-N 2.57Å; T735-V738 PolarHBondContact O-N 3.17Å; T735-I739 HydrophobicContact CG2-CD1 3.61Å; T735-I739 HydrophobicContact CG2-CG1 4.23Å; T735-I739 WeakPolarHBondContact O-CB 3.12Å; T735-I739 VanDerWaalsContact O-CG1 3.27Å; T735-I739 WeakPolarHBondContact O-CG1 3.45Å; T735-I739 PolarHBondContact O-N 3.09Å
736Q70.6Confident64.8Low84 Ų8460.2 Ų60.239%0.39333%0.33SS..Hα-helixtrans-63.5-44.7177.3-179.8174.5-7.100111.3Y732 N733 I734 L740Y732-Q736 WeakPolarHBondContact O-CB 3.48Å; Y732-Q736 PolarHBondContact O-N 2.86Å; N733-Q736 PolarHBondContact O-N 2.96Å; I734-Q736 VanDerWaalsContact C-N 3.34Å; I734-Q736 PolarHBondContact O-N 3.03Å; Q736-L740 HydrophobicContact CG-CD1 3.7Å; Q736-L740 HydrophobicContact CG-CG 4.29Å; Q736-L740 WeakPolarHBondContact O-CB 3.39Å; Q736-L740 WeakPolarHBondContact O-CG 3.49Å; Q736-L740 PolarHBondContact O-N 2.95Å
737V71.1Confident66.3Low85 Ų8561.8 Ų61.852%0.51534%0.338SS..Hα-helixtrans-68-39.5177.9169.80000111.7N733 I734 S741N733-V737 WeakPolarHBondContact O-CB 3.24Å; N733-V737 VanDerWaalsContact O-CG2 3.3Å; N733-V737 WeakPolarHBondContact O-CG2 3.25Å; N733-V737 PolarHBondContact O-N 3.32Å; I734-V737 PolarHBondContact O-N 3.18Å; V737-S741 WeakPolarHBondContact O-CB 3.19Å; V737-S741 PolarHBondContact O-N 2.88Å; V737-S741 PolarHBondContact O-OG 2.6Å
738V70.9Confident67.8Low61 Ų6158.8 Ų58.837%0.3732%0.323SS..Hα-helixtrans-67.9-48.7177.5169.60000110.9F625 I734 T735 S741 A742F625-V738 HydrophobicContact CD2-CG1 3.93Å; I734-V738 HydrophobicContact CG2-CG2 4.17Å; I734-V738 WeakPolarHBondContact O-CB 3.44Å; I734-V738 VanDerWaalsContact O-CG2 3.25Å; I734-V738 WeakPolarHBondContact O-CG2 3.28Å; I734-V738 PolarHBondContact O-N 3.45Å; T735-V738 PolarHBondContact O-N 3.17Å; V738-S741 PolarHBondContact O-N 3.32Å; V738-A742 VanDerWaalsContact O-CB 3.23Å; V738-A742 WeakPolarHBondContact O-CB 3.39Å; V738-A742 PolarHBondContact O-N 3.21Å
739I72Confident68.5Low68 Ų6860.5 Ų60.535%0.34933%0.333SS..Hα-helixtrans-63.2-48.8176.5-66.9173.6000110.4L621 T735 S741 A742 V743L621-I739 HydrophobicContact CD2-CD1 3.83Å; L621-I739 HydrophobicContact CD2-CG1 4.27Å; T735-I739 HydrophobicContact CG2-CD1 3.61Å; T735-I739 HydrophobicContact CG2-CG1 4.23Å; T735-I739 WeakPolarHBondContact O-CB 3.12Å; T735-I739 VanDerWaalsContact O-CG1 3.27Å; T735-I739 WeakPolarHBondContact O-CG1 3.45Å; T735-I739 PolarHBondContact O-N 3.09Å; I739-S741 VanDerWaalsContact C-N 3.34Å; I739-S741 PolarHBondContact O-N 3.37Å; I739-A742 PolarHBondContact O-N 2.93Å; I739-V743 HydrophobicContact CG2-CG2 4.18Å; I739-V743 VanDerWaalsContact O-CB 3.28Å; I739-V743 WeakPolarHBondContact O-CB 3.26Å; I739-V743 VanDerWaalsContact O-CG2 3.24Å; I739-V743 WeakPolarHBondContact O-CG2 3.49Å; I739-V743 PolarHBondContact O-N 2.97Å
740L71.3Confident69.1Low50 Ų5061.5 Ų61.526%0.26233%0.333SS..Hα-helixtrans-63.3-39.7-179.8-73175.1000111.7Q736 S744 L757Q736-L740 HydrophobicContact CG-CD1 3.7Å; Q736-L740 HydrophobicContact CG-CG 4.29Å; Q736-L740 WeakPolarHBondContact O-CB 3.39Å; Q736-L740 WeakPolarHBondContact O-CG 3.49Å; Q736-L740 PolarHBondContact O-N 2.95Å; L740-S744 WeakPolarHBondContact O-CB 3.5Å; L740-S744 PolarHBondContact O-N 3.4Å; L740-L757 HydrophobicContact CD2-CB 4.4Å; L740-L757 HydrophobicContact CD2-CD2 4.16Å
741S70.1Confident69.9Low47 Ų4760.9 Ų60.933%0.32933%0.329SS..Hα-helixtrans-67.4-44.5176.9-58.90000112.2V737 V738 I739 S744 G745V737-S741 WeakPolarHBondContact O-CB 3.19Å; V737-S741 PolarHBondContact O-N 2.88Å; V737-S741 PolarHBondContact O-OG 2.6Å; V738-S741 PolarHBondContact O-N 3.32Å; I739-S741 VanDerWaalsContact C-N 3.34Å; I739-S741 PolarHBondContact O-N 3.37Å; S741-S744 WeakPolarHBondContact O-CB 3.11Å; S741-S744 PolarHBondContact O-N 2.94Å; S741-G745 PolarHBondContact O-N 3.19Å
742A69.7Low70.2Confident14 Ų1461.5 Ų61.512%0.11635%0.348CS..Hα-helixtrans-63.2-45.1177.700000111.6C628 V738 I739 S744 G745 V746C628-A742 HydrophobicContact CB-CB 3.91Å; V738-A742 VanDerWaalsContact O-CB 3.23Å; V738-A742 WeakPolarHBondContact O-CB 3.39Å; V738-A742 PolarHBondContact O-N 3.21Å; I739-A742 PolarHBondContact O-N 2.93Å; A742-S744 VanDerWaalsContact C-N 3.32Å; A742-G745 PolarHBondContact O-N 2.91Å; A742-V746 WeakPolarHBondContact O-CG2 3.18Å; A742-V746 PolarHBondContact O-N 2.63Å
743V71.2Confident70.5Confident55 Ų5562.7 Ų62.733%0.33336%0.356SS..Hα-helixtrans-65.6-35173.1172.60000111.2I739 I747 L757I739-V743 HydrophobicContact CG2-CG2 4.18Å; I739-V743 VanDerWaalsContact O-CB 3.28Å; I739-V743 WeakPolarHBondContact O-CB 3.26Å; I739-V743 VanDerWaalsContact O-CG2 3.24Å; I739-V743 WeakPolarHBondContact O-CG2 3.49Å; I739-V743 PolarHBondContact O-N 2.97Å; V743-I747 HydrophobicContact CG1-CD1 3.49Å; V743-I747 VanDerWaalsContact CG1-CD1 3.49Å; V743-I747 HydrophobicContact CG1-CG1 4.16Å; V743-I747 VanDerWaalsContact O-CB 3.28Å; V743-I747 WeakPolarHBondContact O-CB 3.28Å; V743-I747 VanDerWaalsContact O-CG1 3.26Å; V743-I747 WeakPolarHBondContact O-CG1 3.37Å; V743-I747 PolarHBondContact O-N 2.83Å; V743-L757 HydrophobicContact CG1-CD2 4.39Å
744S70.8Confident70Confident2 Ų265.5 Ų65.51%0.01437%0.371CS..Hα-helixtrans-61.5-46.9173.8-127.50000112.1L740 S741 A742 S748 L755 L757L740-S744 WeakPolarHBondContact O-CB 3.5Å; L740-S744 PolarHBondContact O-N 3.4Å; S741-S744 WeakPolarHBondContact O-CB 3.11Å; S741-S744 PolarHBondContact O-N 2.94Å; A742-S744 VanDerWaalsContact C-N 3.32Å; S744-S748 WeakPolarHBondContact O-CB 3.1Å; S744-S748 PolarHBondContact O-N 2.97Å; S744-S748 PolarHBondContact O-OG 3.14Å; S744-L755 PolarHBondContact OG-O 3.07Å; S744-L757 WeakPolarHBondContact OG-CD1 3.39Å; S744-L757 PolarHBondContact OG-N 2.82Å
745G72.6Confident69.3Low19 Ų1964.3 Ų64.320%0.19637%0.365CS..Hα-helixtrans-61.8-58.517700000110.7S741 A742 I747 S748 D749S741-G745 PolarHBondContact O-N 3.19Å; A742-G745 PolarHBondContact O-N 2.91Å; G745-I747 VanDerWaalsContact C-N 3.28Å; G745-I747 PolarHBondContact O-N 2.96Å; G745-S748 PolarHBondContact O-N 3.21Å; G745-D749 PolarHBondContact O-N 3.48Å
746V72.3Confident68.7Low30 Ų3069.1 Ų69.118%0.18239%0.385CS..Hα-helixtrans-55.4-41.7-177169.80000112.2C628 L631 L632 A742 L750C628-V746 HydrophobicContact CB-CG2 4.18Å; L631-V746 HydrophobicContact CD2-CB 4.36Å; L631-V746 HydrophobicContact CD2-CG1 3.75Å; L631-V746 HydrophobicContact CD2-CG2 3.93Å; L632-V746 HydrophobicContact CD2-CG2 4.22Å; L632-V746 HydrophobicContact CG-CG2 4.16Å; A742-V746 WeakPolarHBondContact O-CG2 3.18Å; A742-V746 PolarHBondContact O-N 2.63Å; V746-L750 WeakPolarHBondContact O-CB 3.36Å; V746-L750 PolarHBondContact O-N 2.99Å; V746-L750 VanDerWaalsContact O-N 3.14Å
747I72.5Confident67.9Low57 Ų5766.6 Ų66.629%0.29237%0.374SS..Hα-helixtrans-75.4-32.9176.8-64.2178.8000111.9V743 G745 L751 L755V743-I747 HydrophobicContact CG1-CD1 3.49Å; V743-I747 VanDerWaalsContact CG1-CD1 3.49Å; V743-I747 HydrophobicContact CG1-CG1 4.16Å; V743-I747 VanDerWaalsContact O-CB 3.28Å; V743-I747 WeakPolarHBondContact O-CB 3.28Å; V743-I747 VanDerWaalsContact O-CG1 3.26Å; V743-I747 WeakPolarHBondContact O-CG1 3.37Å; V743-I747 PolarHBondContact O-N 2.83Å; G745-I747 VanDerWaalsContact C-N 3.28Å; G745-I747 PolarHBondContact O-N 2.96Å; I747-L751 HydrophobicContact CG2-CD1 3.61Å; I747-L751 HydrophobicContact CG2-CG 4.2Å; I747-L751 VanDerWaalsContact O-CB 3.29Å; I747-L751 WeakPolarHBondContact O-CB 3.1Å; I747-L751 WeakPolarHBondContact O-CG 3.29Å; I747-L751 PolarHBondContact O-N 3.38Å; I747-L751 VanDerWaalsContact O-N 3.11Å; I747-L755 HydrophobicContact CG2-CD1 3.62Å
748S76.3Confident67.1Low10 Ų1069.7 Ų69.77%0.0738%0.377CS..Hα-helixtrans-67-42.4178.6-63.60000112.1S744 G745 G752 F753 L755S744-S748 WeakPolarHBondContact O-CB 3.1Å; S744-S748 PolarHBondContact O-N 2.97Å; S744-S748 PolarHBondContact O-OG 3.14Å; G745-S748 PolarHBondContact O-N 3.21Å; S748-G752 CarbonylContact O-C 3.53Å; S748-G752 WeakPolarHBondContact O-CA 3.21Å; S748-G752 PolarHBondContact O-N 3.22Å; S748-F753 WeakPolarHBondContact CA-O 3.38Å; S748-F753 WeakPolarHBondContact CB-O 3.33Å; S748-F753 PolarHBondContact O-N 2.97Å; S748-F753 PolarHBondContact OG-O 3.34Å; S748-L755 PolarHBondContact OG-N 3.34Å; S748-L755 PolarHBondContact OG-O 2.76Å
749D69.8Low65.9Low108 Ų10875.4 Ų75.458%0.57840%0.396SS*.Hα-helixtrans-76.8-41.4-177.3-60.1-21.1000110.4L632 G745 L751 G752L632-D749 WeakPolarHBondContact CD2-OD2 3.1Å; G745-D749 PolarHBondContact O-N 3.48Å; D749-L751 VanDerWaalsContact C-N 3.27Å; D749-L751 PolarHBondContact O-N 3.15Å; D749-G752 PolarHBondContact O-N 2.95Å
750L67.6Low64.6Low108 Ų10878.5 Ų78.557%0.56541%0.413SS*.Hα-helixtrans-63.1-28.2174.7-177.764.5000113.7V746V746-L750 WeakPolarHBondContact O-CB 3.36Å; V746-L750 PolarHBondContact O-N 2.99Å; V746-L750 VanDerWaalsContact O-N 3.14Å
751L70.1Confident62.9Low97 Ų9785.6 Ų85.651%0.50844%0.441SS..Hα-helixtrans-104.4-4.8179.1-61-178.3000114I747 D749 F753 L755I747-L751 HydrophobicContact CG2-CD1 3.61Å; I747-L751 HydrophobicContact CG2-CG 4.2Å; I747-L751 VanDerWaalsContact O-CB 3.29Å; I747-L751 WeakPolarHBondContact O-CB 3.1Å; I747-L751 WeakPolarHBondContact O-CG 3.29Å; I747-L751 PolarHBondContact O-N 3.38Å; I747-L751 VanDerWaalsContact O-N 3.11Å; D749-L751 VanDerWaalsContact C-N 3.27Å; D749-L751 PolarHBondContact O-N 3.15Å; L751-F753 WeakPolarHBondContact O-CD2 3.33Å; L751-F753 PolarHBondContact O-N 3.04Å; L751-L755 HydrophobicContact CD1-CD1 4.15Å
752G65.3Low61.3Low64 Ų6492 Ų9266%0.6649%0.486SS*.THydrogen-bonded Turntrans6613.8-175.500000115.5S748 D749S748-G752 CarbonylContact O-C 3.53Å; S748-G752 WeakPolarHBondContact O-CA 3.21Å; S748-G752 PolarHBondContact O-N 3.22Å; D749-G752 PolarHBondContact O-N 2.95Å
753F69.3Low60.9Low156 Ų15695.9 Ų95.968%0.68450%0.504SS*.SBendtrans-128.8126.6-176.2-67.7-68.9000111.8S748 L751 L755S748-F753 WeakPolarHBondContact CA-O 3.38Å; S748-F753 WeakPolarHBondContact CB-O 3.33Å; S748-F753 PolarHBondContact O-N 2.97Å; S748-F753 PolarHBondContact OG-O 3.34Å; L751-F753 WeakPolarHBondContact O-CD2 3.33Å; L751-F753 PolarHBondContact O-N 3.04Å; F753-L755 VanDerWaalsContact C-N 3.32Å; F753-L755 PolarHBondContact O-N 2.9Å
754N57.8Low60.4Low144 Ų14498.1 Ų98.177%0.7751%0.513SS*.  trans-62.581.2179.4-102.5-98.9000113.3
755L57.1Low59.8Low75 Ų75103.4 Ų103.439%0.39354%0.541SS..  trans-81.7120.8173.4-86.4160000109.4S744 I747 S748 L751 F753 L757S744-L755 PolarHBondContact OG-O 3.07Å; I747-L755 HydrophobicContact CG2-CD1 3.62Å; S748-L755 PolarHBondContact OG-N 3.34Å; S748-L755 PolarHBondContact OG-O 2.76Å; L751-L755 HydrophobicContact CD1-CD1 4.15Å; F753-L755 VanDerWaalsContact C-N 3.32Å; F753-L755 PolarHBondContact O-N 2.9Å; L755-L757 HydrophobicContact CB-CD1 4.21Å
756K54.4Low59Low118 Ų118108.4 Ų108.451%0.51356%0.561SS.*  trans-10676.1176.8-64.9-172.1177.1-177.50109.6W758 K759K756-W758 HydrophobicContact CB-CD2 4.34Å; K756-W758 HydrophobicContact CB-CZ2 3.94Å; K756-W758 HydrophobicContact CD-CZ2 3.84Å; K756-W758 HydrophobicContact CG-CH2 4.25Å; K756-W758 HydrophobicContact CG-CZ2 3.65Å; K756-W758 PolarHBondContact O-N 3.3Å; K756-W758 VanDerWaalsContact O-N 3.15Å; K756-K759 WeakPolarHBondContact O-CB 3.16Å; K756-K759 PolarHBondContact O-N 3.11Å
757L54.8Low58.2Low30 Ų30113.3 Ų113.316%0.15759%0.585CS.*G310 helixtrans-58-27.7-175.1-92.198.6000113.1L740 V743 S744 L755 K759 I760L740-L757 HydrophobicContact CD2-CB 4.4Å; L740-L757 HydrophobicContact CD2-CD2 4.16Å; V743-L757 HydrophobicContact CG1-CD2 4.39Å; S744-L757 WeakPolarHBondContact OG-CD1 3.39Å; S744-L757 PolarHBondContact OG-N 2.82Å; L755-L757 HydrophobicContact CB-CD1 4.21Å; L757-K759 PolarHBondContact O-N 3.43Å; L757-I760 HydrophobicContact CB-CD1 4.39Å; L757-I760 HydrophobicContact CD2-CD1 4.19Å; L757-I760 HydrophobicContact CG-CD1 3.95Å; L757-I760 WeakPolarHBondContact O-CB 3.17Å; L757-I760 WeakPolarHBondContact O-CG1 3.06Å; L757-I760 PolarHBondContact O-N 3.35Å
758W53.3Low57.2Low150 Ų150117 Ų11757%0.56861%0.605SS**G310 helixtrans-61.5-9.9172.756.180.6000114.4K756K756-W758 HydrophobicContact CB-CD2 4.34Å; K756-W758 HydrophobicContact CB-CZ2 3.94Å; K756-W758 HydrophobicContact CD-CZ2 3.84Å; K756-W758 HydrophobicContact CG-CH2 4.25Å; K756-W758 HydrophobicContact CG-CZ2 3.65Å; K756-W758 PolarHBondContact O-N 3.3Å; K756-W758 VanDerWaalsContact O-N 3.15Å
759K45.6Very low55.9Low181 Ų181124.6 Ų124.679%0.78764%0.643SS**G310 helixtrans-92.9-2.3172.2-147.3173.5-174.8178.10113.7K756 L757 K761K756-K759 WeakPolarHBondContact O-CB 3.16Å; K756-K759 PolarHBondContact O-N 3.11Å; L757-K759 PolarHBondContact O-N 3.43Å; K759-K761 VanDerWaalsContact C-N 3.33Å; K759-K761 PolarHBondContact O-N 3.27Å
760I44Very low54.8Low134 Ų134125.9 Ų125.969%0.68765%0.648SS**  trans-76.188.3170.5-56.8175000107.9L757L757-I760 HydrophobicContact CB-CD1 4.39Å; L757-I760 HydrophobicContact CD2-CD1 4.19Å; L757-I760 HydrophobicContact CG-CD1 3.95Å; L757-I760 WeakPolarHBondContact O-CB 3.17Å; L757-I760 WeakPolarHBondContact O-CG1 3.06Å; L757-I760 PolarHBondContact O-N 3.35Å
761K36.8Very low53.7Low199 Ų199127.4 Ų127.487%0.86566%0.655SS**  trans-71.7131.6173.2-148.9177.1-173.5-177.90109K759K759-K761 VanDerWaalsContact C-N 3.33Å; K759-K761 PolarHBondContact O-N 3.27Å
762S36.4Very low52.3Low181 Ų181130.2 Ų130.2100%1.26667%0.668SS**  trans-77.80167.8-176.30000111.8

Retrieved 762 of 762 residues in 267.8 ms (Link to these results)

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