A0A087Y134_POEFO Loading...

Tyrosine-protein kinase receptor

AlphaFold DB , UniProt , Accession A0A087Y134, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 553 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
1Y47.1Very low62Low243 Ų243134.4 Ų134.495%0.95360%0.603SS**  0-87.30-148.9-103.8000112.4R3 K4 H5Y1-R3 PolarHBondContact O-N 3.26Å; Y1-R3 VanDerWaalsContact O-N 3.1Å; Y1-K4 PolarHBondContact O-N 3.13Å; Y1-H5 PolarHBondContact O-N 3.25Å
2R56.5Low62.3Low221 Ų221132.9 Ų132.983%0.83460%0.598SS**Hα-helixtrans-42-52.4-168.4-68.3-172-174.8174.72.8116.2K4 H5 T6R2-K4 VanDerWaalsContact C-N 3.31Å; R2-K4 PolarHBondContact O-N 3.38Å; R2-H5 WeakPolarHBondContact O-CA 3.45Å; R2-H5 WeakPolarHBondContact O-CB 3.45Å; R2-H5 PolarHBondContact O-N 3.38Å; R2-T6 PolarHBondContact O-N 3.36Å; R2-T6 PolarHBondContact O-OG1 2.96Å
3R59Low62.8Low230 Ų230132.3 Ų132.387%0.86860%0.603SS**Hα-helixtrans-51.5-46.6178.9-63.5-173-166.2165.64.9113Y1 H5 T6 E7Y1-R3 PolarHBondContact O-N 3.26Å; Y1-R3 VanDerWaalsContact O-N 3.1Å; R3-H5 VanDerWaalsContact C-N 3.27Å; R3-H5 PolarHBondContact O-N 3.23Å; R3-T6 PolarHBondContact O-N 2.85Å; R3-E7 VanDerWaalsContact O-CB 3.28Å; R3-E7 WeakPolarHBondContact O-CB 3.5Å; R3-E7 PolarHBondContact O-N 2.74Å
4K61.2Low63.5Low147 Ų147132.6 Ų132.664%0.63961%0.605SS**Hα-helixtrans-67.2-26.6-179.7-155.5176.8-172.2-177.90112.7Y1 R2 L8Y1-K4 PolarHBondContact O-N 3.13Å; R2-K4 VanDerWaalsContact C-N 3.31Å; R2-K4 PolarHBondContact O-N 3.38Å; K4-L8 WeakPolarHBondContact O-CB 3.44Å; K4-L8 WeakPolarHBondContact O-CD1 3.3Å; K4-L8 VanDerWaalsContact O-CG 3.23Å; K4-L8 WeakPolarHBondContact O-CG 3.32Å; K4-L8 PolarHBondContact O-N 3.39Å; K4-L8 VanDerWaalsContact O-N 3.16Å
5H68.2Low63.1Low99 Ų99130.5 Ų130.546%0.45860%0.6SS.*Hα-helixtrans-75.5-43173.3-172.976.4000111.3Y1 R2 R3 E7 L8 Q9Y1-H5 PolarHBondContact O-N 3.25Å; R2-H5 WeakPolarHBondContact O-CA 3.45Å; R2-H5 WeakPolarHBondContact O-CB 3.45Å; R2-H5 PolarHBondContact O-N 3.38Å; R3-H5 VanDerWaalsContact C-N 3.27Å; R3-H5 PolarHBondContact O-N 3.23Å; H5-E7 VanDerWaalsContact C-N 3.34Å; H5-L8 PolarHBondContact O-N 2.82Å; H5-Q9 PolarHBondContact NE2-NE2 3.18Å; H5-Q9 WeakPolarHBondContact O-CG 3.47Å; H5-Q9 PolarHBondContact O-N 3.36Å
6T66Low63.1Low85 Ų85129.3 Ų129.352%0.52160%0.595SS.*Hα-helixtrans-62.3-41173.3-50.30000111.9R2 R3 Q9 S10R2-T6 PolarHBondContact O-N 3.36Å; R2-T6 PolarHBondContact O-OG1 2.96Å; R3-T6 PolarHBondContact O-N 2.85Å; T6-Q9 PolarHBondContact O-N 2.7Å; T6-S10 PolarHBondContact O-N 2.74Å; T6-S10 PolarHBondContact O-OG 3.31Å; T6-S10 VanDerWaalsContact O-OG 3.14Å
7E67.1Low63.8Low112 Ų112123.6 Ų123.652%0.52357%0.573SS.*Hα-helixtrans-61.9-45.5176.7-175.1172-141.900112.1R3 H5 S10 I11R3-E7 VanDerWaalsContact O-CB 3.28Å; R3-E7 WeakPolarHBondContact O-CB 3.5Å; R3-E7 PolarHBondContact O-N 2.74Å; H5-E7 VanDerWaalsContact C-N 3.34Å; E7-S10 WeakPolarHBondContact CA-OG 3.42Å; E7-S10 PolarHBondContact O-N 3.39Å; E7-S10 PolarHBondContact O-OG 3.04Å; E7-I11 HydrophobicContact CG-CD1 4.49Å; E7-I11 WeakPolarHBondContact O-CG1 3.46Å; E7-I11 PolarHBondContact O-N 3.28Å
8L58.6Low63.6Low107 Ų107121.7 Ų121.756%0.5657%0.574SS**Hα-helixtrans-62.4-40.6171.8-74.3166.5000112.2K4 H5 I11 Q12K4-L8 WeakPolarHBondContact O-CB 3.44Å; K4-L8 WeakPolarHBondContact O-CD1 3.3Å; K4-L8 VanDerWaalsContact O-CG 3.23Å; K4-L8 WeakPolarHBondContact O-CG 3.32Å; K4-L8 PolarHBondContact O-N 3.39Å; K4-L8 VanDerWaalsContact O-N 3.16Å; H5-L8 PolarHBondContact O-N 2.82Å; L8-I11 PolarHBondContact O-N 2.95Å; L8-Q12 WeakPolarHBondContact O-CB 3.44Å; L8-Q12 PolarHBondContact O-N 2.94Å
9Q63.4Low63.6Low91 Ų91121.6 Ų121.643%0.42558%0.577SS.*Hα-helixtrans-65.3-38.9176-75.7174.6-3000112.6H5 T6 Q12 L13H5-Q9 PolarHBondContact NE2-NE2 3.18Å; H5-Q9 WeakPolarHBondContact O-CG 3.47Å; H5-Q9 PolarHBondContact O-N 3.36Å; T6-Q9 PolarHBondContact O-N 2.7Å; Q9-Q12 PolarHBondContact O-N 3.08Å; Q9-L13 PolarHBondContact O-N 2.83Å
10S66.9Low63.7Low62 Ų62116.9 Ų116.943%0.43456%0.558SS.*Hα-helixtrans-64.8-42.9174.142.60000112.3T6 E7 Q12 L13 E14T6-S10 PolarHBondContact O-N 2.74Å; T6-S10 PolarHBondContact O-OG 3.31Å; T6-S10 VanDerWaalsContact O-OG 3.14Å; E7-S10 WeakPolarHBondContact CA-OG 3.42Å; E7-S10 PolarHBondContact O-N 3.39Å; E7-S10 PolarHBondContact O-OG 3.04Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 3.05Å; S10-L13 PolarHBondContact O-N 3.26Å; S10-E14 WeakPolarHBondContact O-CB 3.34Å; S10-E14 PolarHBondContact O-N 2.99Å
11I68.3Low63.5Low81 Ų81116.5 Ų116.542%0.41555%0.554SS.*Hα-helixtrans-62.7-40.7175.8-67.5163.7000110.5E7 L8 L13 E14 L15E7-I11 HydrophobicContact CG-CD1 4.49Å; E7-I11 WeakPolarHBondContact O-CG1 3.46Å; E7-I11 PolarHBondContact O-N 3.28Å; L8-I11 PolarHBondContact O-N 2.95Å; I11-L13 PolarHBondContact O-N 2.83Å; I11-E14 PolarHBondContact O-N 3.17Å; I11-L15 HydrophobicContact CG2-CD1 3.9Å; I11-L15 HydrophobicContact CG2-CG 4.41Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.17Å
12Q64.9Low63.5Low117 Ų117108.4 Ų108.455%0.54753%0.527SS..Hα-helixtrans-66.6-36178.1-166.6172.717.200112.6L8 Q9 S10 Q16L8-Q12 WeakPolarHBondContact O-CB 3.44Å; L8-Q12 PolarHBondContact O-N 2.94Å; Q9-Q12 PolarHBondContact O-N 3.08Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 3.05Å; Q12-Q16 VanDerWaalsContact O-CG 3.3Å; Q12-Q16 WeakPolarHBondContact O-CG 3.43Å; Q12-Q16 PolarHBondContact O-N 3.35Å
13L69.8Low63.5Low125 Ų125101.1 Ų101.165%0.65451%0.509SS*.Hα-helixtrans-68.7-41.9171.9-82.5160.3000112.2Q9 S10 I11 Q16 S17Q9-L13 PolarHBondContact O-N 2.83Å; S10-L13 PolarHBondContact O-N 3.26Å; I11-L13 PolarHBondContact O-N 2.83Å; L13-Q16 CarbonylContact O-C 3.5Å; L13-Q16 PolarHBondContact O-N 2.92Å; L13-Q16 VanDerWaalsContact O-N 3.13Å; L13-S17 PolarHBondContact O-N 3.36Å; L13-S17 VanDerWaalsContact O-N 3.1Å
14E71.4Confident63.1Low136 Ų13694.2 Ų94.264%0.63649%0.485SS*.Hα-helixtrans-65.4-43179.6-171.6170-158.400111.9S10 I11 Q16 S17 C20S10-E14 WeakPolarHBondContact O-CB 3.34Å; S10-E14 PolarHBondContact O-N 2.99Å; I11-E14 PolarHBondContact O-N 3.17Å; E14-Q16 PolarHBondContact O-N 2.91Å; E14-S17 WeakPolarHBondContact O-CB 3.24Å; E14-S17 PolarHBondContact O-N 2.74Å; E14-S17 PolarHBondContact O-OG 2.82Å; E14-C20 WeakPolarHBondContact O-CB 3.47Å
15L58.7Low62.3Low102 Ų10292.6 Ų92.653%0.53448%0.483SS..Hα-helixtrans-63.2-23.7172-72.4169.4000113.4I11I11-L15 HydrophobicContact CG2-CD1 3.9Å; I11-L15 HydrophobicContact CG2-CG 4.41Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.17Å
16Q62.8Low61.2Low111 Ų11196.1 Ų96.152%0.51949%0.493SS..THydrogen-bonded Turntrans-92.7-2.1174.8-70.6-175.822.700113.7Q12 L13 E14 K21Q12-Q16 VanDerWaalsContact O-CG 3.3Å; Q12-Q16 WeakPolarHBondContact O-CG 3.43Å; Q12-Q16 PolarHBondContact O-N 3.35Å; L13-Q16 CarbonylContact O-C 3.5Å; L13-Q16 PolarHBondContact O-N 2.92Å; L13-Q16 VanDerWaalsContact O-N 3.13Å; E14-Q16 PolarHBondContact O-N 2.91Å; Q16-K21 VanDerWaalsContact O-CE 3.24Å; Q16-K21 WeakPolarHBondContact O-CE 3.3Å; Q16-K21 PolarHBondContact O-NZ 3.04Å
17S74.6Confident60.3Low32 Ų3295 Ų9522%0.22449%0.492CS..SBendtrans-62151.5-177.866.20000113.1L13 E14 D19 C20 K21L13-S17 PolarHBondContact O-N 3.36Å; L13-S17 VanDerWaalsContact O-N 3.1Å; E14-S17 WeakPolarHBondContact O-CB 3.24Å; E14-S17 PolarHBondContact O-N 2.74Å; E14-S17 PolarHBondContact O-OG 2.82Å; S17-D19 PolarHBondContact O-N 2.73Å; S17-C20 PolarHBondContact O-N 3.36Å; S17-C20 WeakPolarHBondContact OG-CB 3.48Å; S17-C20 PolarHBondContact OG-N 2.67Å; S17-C20 VanDerWaalsContact OG-N 3.08Å; S17-K21 WeakPolarHBondContact O-CG 3.38Å; S17-K21 PolarHBondContact O-N 3.38Å; S17-K21 VanDerWaalsContact O-N 3.09Å
18P60Low58.8Low90 Ų9093 Ų9358%0.58449%0.491SS*.Hα-helixtrans-57.2-36.4173.1-24.835.3000112.7K21 L22P18-K21 PolarHBondContact O-N 3.1Å; P18-L22 WeakPolarHBondContact O-CB 3.37Å; P18-L22 WeakPolarHBondContact O-CG 3.48Å; P18-L22 PolarHBondContact O-N 2.99Å
19D64.2Low57.6Low119 Ų11993.5 Ų93.564%0.63650%0.498SS*.Hα-helixtrans-75.7-33-178.5-60.5-67.1000113.3S17 S23S17-D19 PolarHBondContact O-N 2.73Å; D19-S23 WeakPolarHBondContact O-CB 3.41Å; D19-S23 PolarHBondContact O-N 3.46Å; D19-S23 PolarHBondContact O-OG 3.45Å
20C64.8Low56.3Low28 Ų2896.5 Ų96.519%0.18952%0.516CS..Hα-helixtrans-64.2-42.7167.5-173.30000110.7E14 S17 S23 K24E14-C20 WeakPolarHBondContact O-CB 3.47Å; S17-C20 PolarHBondContact O-N 3.36Å; S17-C20 WeakPolarHBondContact OG-CB 3.48Å; S17-C20 PolarHBondContact OG-N 2.67Å; S17-C20 VanDerWaalsContact OG-N 3.08Å; C20-S23 WeakPolarHBondContact CA-OG 3.43Å; C20-S23 PolarHBondContact O-N 2.88Å; C20-S23 PolarHBondContact O-OG 2.88Å; C20-K24 WeakPolarHBondContact O-CB 3.45Å; C20-K24 WeakPolarHBondContact O-CG 3.49Å; C20-K24 PolarHBondContact O-N 2.95Å
21K59.2Low54.7Low109 Ų109100.5 Ų100.547%0.47453%0.529SS..Hα-helixtrans-65.5-40.3176.4-71163176.4162.60112.5Q16 S17 P18 L25Q16-K21 VanDerWaalsContact O-CE 3.24Å; Q16-K21 WeakPolarHBondContact O-CE 3.3Å; Q16-K21 PolarHBondContact O-NZ 3.04Å; S17-K21 WeakPolarHBondContact O-CG 3.38Å; S17-K21 PolarHBondContact O-N 3.38Å; S17-K21 VanDerWaalsContact O-N 3.09Å; P18-K21 PolarHBondContact O-N 3.1Å; K21-L25 WeakPolarHBondContact O-CB 3.45Å; K21-L25 PolarHBondContact O-N 3Å
22L48.3Very low53Low73 Ų73102.8 Ų102.838%0.38255%0.547SS..Hα-helixtrans-71.2-36.1176.7-84.9161.9000113P18 R26P18-L22 WeakPolarHBondContact O-CB 3.37Å; P18-L22 WeakPolarHBondContact O-CG 3.48Å; P18-L22 PolarHBondContact O-N 2.99Å; L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 VanDerWaalsContact O-CG 3.25Å; L22-R26 WeakPolarHBondContact O-CG 3.41Å; L22-R26 PolarHBondContact O-N 2.79Å
23S55.6Low51.3Low67 Ų67104.9 Ų104.947%0.46956%0.562SS.*Hα-helixtrans-70.9-39.2174.759.10000111.7D19 C20 R26 A27D19-S23 WeakPolarHBondContact O-CB 3.41Å; D19-S23 PolarHBondContact O-N 3.46Å; D19-S23 PolarHBondContact O-OG 3.45Å; C20-S23 WeakPolarHBondContact CA-OG 3.43Å; C20-S23 PolarHBondContact O-N 2.88Å; C20-S23 PolarHBondContact O-OG 2.88Å; S23-R26 PolarHBondContact O-N 3.12Å; S23-A27 WeakPolarHBondContact O-CB 3.45Å; S23-A27 PolarHBondContact O-N 3.08Å
24K51.8Low50Low85 Ų85106.1 Ų106.137%0.3756%0.559SS.*Hα-helixtrans-54.7-55.9166.8-76.8-177.3178-169.30111.7C20 R26 A27 S28 E100C20-K24 WeakPolarHBondContact O-CB 3.45Å; C20-K24 WeakPolarHBondContact O-CG 3.49Å; C20-K24 PolarHBondContact O-N 2.95Å; K24-R26 VanDerWaalsContact C-N 3.3Å; K24-R26 PolarHBondContact O-N 2.81Å; K24-A27 WeakPolarHBondContact O-CB 3.15Å; K24-A27 PolarHBondContact O-N 2.86Å; K24-S28 PolarHBondContact O-N 3.21Å; K24-S28 PolarHBondContact O-OG 3.4Å; K24-S28 VanDerWaalsContact O-OG 3.06Å; K24-E100 IonicContact NZ-OE1 3.6Å; K24-E100 PolarHBondContact NZ-OE1 3.17Å
25L44.3Very low48.7Very low114 Ų114105 Ų10560%0.59756%0.558SS**Hα-helixtrans-53.9-42.7179.2-91.7157.5000113.2K21 S28 T29K21-L25 WeakPolarHBondContact O-CB 3.45Å; K21-L25 PolarHBondContact O-N 3Å; L25-S28 PolarHBondContact O-N 3.07Å; L25-T29 PolarHBondContact O-N 3.19Å; L25-T29 PolarHBondContact O-OG1 3.15Å
26R44.8Very low48.3Very low172 Ų172102.2 Ų102.265%0.64955%0.545SS*.Hα-helixtrans-71.2-32.2177.8-70.4169.4-175.6166.93.7113.1L22 S23 K24L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 VanDerWaalsContact O-CG 3.25Å; L22-R26 WeakPolarHBondContact O-CG 3.41Å; L22-R26 PolarHBondContact O-N 2.79Å; S23-R26 PolarHBondContact O-N 3.12Å; K24-R26 VanDerWaalsContact C-N 3.3Å; K24-R26 PolarHBondContact O-N 2.81Å
27A46.8Very low48Very low62 Ų6299.4 Ų99.451%0.51253%0.534SS..Hα-helixtrans-70.9-40.4172.300000111.6S23 K24 T29 I30S23-A27 WeakPolarHBondContact O-CB 3.45Å; S23-A27 PolarHBondContact O-N 3.08Å; K24-A27 WeakPolarHBondContact O-CB 3.15Å; K24-A27 PolarHBondContact O-N 2.86Å; A27-T29 PolarHBondContact O-N 2.83Å; A27-I30 PolarHBondContact O-N 2.87Å; A27-I30 VanDerWaalsContact O-N 3.14Å
28S36.2Very low47.3Very low71 Ų7198.1 Ų98.150%0.49752%0.524SS..Hα-helixtrans-58.6-31.2175.9-59.40000112.9K24 L25 I30 M31K24-S28 PolarHBondContact O-N 3.21Å; K24-S28 PolarHBondContact O-OG 3.4Å; K24-S28 VanDerWaalsContact O-OG 3.06Å; L25-S28 PolarHBondContact O-N 3.07Å; S28-I30 PolarHBondContact O-N 2.95Å; S28-I30 VanDerWaalsContact O-N 3.14Å; S28-M31 PolarHBondContact O-N 2.88Å
29T32Very low47.4Very low117 Ų11796.9 Ų96.972%0.71852%0.517SS*.THydrogen-bonded Turntrans-69.1-7.8179.4-28.70000114L25 A27L25-T29 PolarHBondContact O-N 3.19Å; L25-T29 PolarHBondContact O-OG1 3.15Å; A27-T29 PolarHBondContact O-N 2.83Å
30I37.1Very low47.4Very low154 Ų15492.6 Ų92.679%0.7949%0.493SS*.THydrogen-bonded Turntrans-112.9-7.3177.3-57.8-179.3000111.4A27 S28A27-I30 PolarHBondContact O-N 2.87Å; A27-I30 VanDerWaalsContact O-N 3.14Å; S28-I30 PolarHBondContact O-N 2.95Å; S28-I30 VanDerWaalsContact O-N 3.14Å
31M32.8Very low47.1Very low146 Ų14694.5 Ų94.572%0.71952%0.517SS*.SBendtrans-84.5127.7165.1-73-167.561.500109.7S28S28-M31 PolarHBondContact O-N 2.88Å
32T32.1Very low47.3Very low129 Ų12993.3 Ų93.379%0.79154%0.536SS*.PPolyproline II helixtrans-54.8143.3172.747.90000111.3
33D30.6Very low48.4Very low161 Ų16197.7 Ų97.786%0.86155%0.552SS**PPolyproline II helixtrans-49.2140.5-167.9-63.8-80.5000115.2N35D33-N35 PolarHBondContact O-N 2.83Å; D33-N35 VanDerWaalsContact O-N 3.12Å
34Y42.8Very low49.3Very low150 Ų15098.3 Ų98.359%0.58855%0.553SS**  trans-63.6108.5-174179-110.4000112.1P36 L104Y34-P36 HydrophobicContact CD1-CG 4.13Å; Y34-P36 HydrophobicContact CE1-CB 3.82Å; Y34-P36 HydrophobicContact CE1-CG 3.63Å; Y34-P36 HydrophobicContact CE2-CB 4.43Å; Y34-P36 WeakPolarHBondContact O-CD 3.15Å; Y34-L104 HydrophobicContact CE2-CD1 3.88Å; Y34-L104 HydrophobicContact CE2-CD2 3.52Å; Y34-L104 HydrophobicContact CE2-CG 4.35Å; Y34-L104 WeakPolarHBondContact OH-CD2 3.25Å
35N42.5Very low50.5Low114 Ų11494.4 Ų94.461%0.6154%0.536SS*.  trans-115.685.4178.3-169.426.5000110.9D33 N37D33-N35 PolarHBondContact O-N 2.83Å; D33-N35 VanDerWaalsContact O-N 3.12Å; N35-N37 PolarHBondContact O-N 3.2Å; N35-N37 WeakPolarHBondContact OD1-CB 3.4Å; N35-N37 PolarHBondContact OD1-ND2 3.41Å
36P51.5Low52.4Low42 Ų4291 Ų9127%0.27352%0.52SS..  trans-75.414.9-178.134.3-38.2000113.6Y34 Y38Y34-P36 HydrophobicContact CD1-CG 4.13Å; Y34-P36 HydrophobicContact CE1-CB 3.82Å; Y34-P36 HydrophobicContact CE1-CG 3.63Å; Y34-P36 HydrophobicContact CE2-CB 4.43Å; Y34-P36 WeakPolarHBondContact O-CD 3.15Å; P36-Y38 PolarHBondContact O-N 3.24Å
37N56.4Low54.2Low53 Ų5385.7 Ų85.728%0.28351%0.507SS..  trans-88.9104.1-173.3-71.2-45.8000109.6N35 C39 T44 A45N35-N37 PolarHBondContact O-N 3.2Å; N35-N37 WeakPolarHBondContact OD1-CB 3.4Å; N35-N37 PolarHBondContact OD1-ND2 3.41Å; N37-C39 PolarHBondContact O-N 3.35Å; N37-T44 HydrophobicContact CB-CG2 3.61Å; N37-T44 VanDerWaalsContact OD1-CG2 3.3Å; N37-T44 WeakPolarHBondContact OD1-CG2 3.4Å; N37-A45 WeakPolarHBondContact CA-O 3.49Å
38Y60Low56Low4 Ų488.3 Ų88.32%0.01652%0.521CS..EExtended strand (participates in β ladder)trans-80.5109.2175.6175.9-115.7000110P36 F40 A45 M108 L111 I112 K115 F187 Y220P36-Y38 PolarHBondContact O-N 3.24Å; Y38-F40 HydrophobicContact CD1-CB 4.29Å; Y38-F40 HydrophobicContact CE1-CB 3.66Å; Y38-F40 HydrophobicContact CE1-CD2 4.28Å; Y38-F40 HydrophobicContact CE1-CG 4.2Å; Y38-F40 WeakPolarHBondContact OH-CD2 3.41Å; Y38-A45 HydrophobicContact CD1-CB 4.46Å; Y38-A45 PolarHBondContact N-O 3.35Å; Y38-A45 WeakPolarHBondContact O-CB 3.3Å; Y38-A45 PolarHBondContact O-N 3.41Å; Y38-M108 HydrophobicContact CD2-CE 3.89Å; Y38-M108 HydrophobicContact CG-CE 4.32Å; Y38-L111 HydrophobicContact CD1-CB 4.39Å; Y38-L111 HydrophobicContact CG-CB 4.43Å; Y38-I112 HydrophobicContact CD1-CG1 4.26Å; Y38-I112 HydrophobicContact CD2-CG1 3.98Å; Y38-I112 HydrophobicContact CE1-CB 4.41Å; Y38-I112 HydrophobicContact CE1-CG1 3.94Å; Y38-I112 HydrophobicContact CE2-CD1 4.39Å; Y38-I112 HydrophobicContact CE2-CG1 3.65Å; Y38-I112 HydrophobicContact CG-CG1 4.29Å; Y38-K115 HydrophobicContact CD1-CG 4.18Å; Y38-K115 HydrophobicContact CE1-CG 4.02Å; Y38-F187 VanDerWaalsContact OH-CD2 3.32Å; Y38-F187 WeakPolarHBondContact OH-CD2 3.23Å; Y38-F187 VanDerWaalsContact OH-CE2 3.26Å; Y38-F187 WeakPolarHBondContact OH-CE2 3.4Å; Y38-Y220 AromaticContact CD2-CE2 3.91Å; Y38-Y220 HydrophobicContact CD2-CE2 3.91Å; Y38-Y220 AromaticContact CD2-CZ 3.74Å; Y38-Y220 AromaticContact CE2-CE2 3.76Å; Y38-Y220 HydrophobicContact CE2-CE2 3.76Å; Y38-Y220 AromaticContact CE2-CZ 3.78Å; Y38-Y220 VanDerWaalsContact CE2-OH 3.31Å; Y38-Y220 WeakPolarHBondContact CE2-OH 3.21Å
39C61.5Low58.5Low64 Ų6489.3 Ų89.343%0.43252%0.521SS..EExtended strand (participates in β ladder)trans-86.3118.2-179.7-67.60000111.3N37 K43 Y220N37-C39 PolarHBondContact O-N 3.35Å; C39-K43 WeakPolarHBondContact CA-O 3.4Å; C39-Y220 PolarHBondContact O-OH 3.26Å
40F64.5Low61.3Low30 Ų3084.6 Ų84.613%0.13249%0.492CS..EExtended strand (participates in β ladder)trans-136130.9178.5-176.1-103.4000110.7Y38 G42 K43 K115 F116 N185 F187Y38-F40 HydrophobicContact CD1-CB 4.29Å; Y38-F40 HydrophobicContact CE1-CB 3.66Å; Y38-F40 HydrophobicContact CE1-CD2 4.28Å; Y38-F40 HydrophobicContact CE1-CG 4.2Å; Y38-F40 WeakPolarHBondContact OH-CD2 3.41Å; F40-G42 PolarHBondContact O-N 2.94Å; F40-G42 VanDerWaalsContact O-N 3.17Å; F40-K43 PolarHBondContact N-O 2.7Å; F40-K43 PolarHBondContact O-N 3.41Å; F40-K115 HydrophobicContact CB-CG 4.31Å; F40-K115 HydrophobicContact CD1-CB 3.7Å; F40-K115 HydrophobicContact CD1-CG 4.24Å; F40-K115 HydrophobicContact CE1-CB 3.99Å; F40-K115 HydrophobicContact CG-CB 4.13Å; F40-K115 HydrophobicContact CG-CG 4.4Å; F40-F116 HydrophobicContact CE2-CD1 4.32Å; F40-F116 AromaticContact CE2-CE1 3.61Å; F40-F116 HydrophobicContact CE2-CE1 3.61Å; F40-F116 HydrophobicContact CE2-CZ 4.44Å; F40-F116 AromaticContact CZ-CD1 3.95Å; F40-F116 HydrophobicContact CZ-CD1 3.95Å; F40-F116 AromaticContact CZ-CE1 3.69Å; F40-F116 HydrophobicContact CZ-CE1 3.69Å; F40-N185 HydrophobicContact CE2-CB 3.99Å; F40-N185 HydrophobicContact CZ-CB 3.59Å; F40-F187 HydrophobicContact CE2-CB 4.28Å; F40-F187 HydrophobicContact CE2-CD2 4.4Å
41G58.3Low64Low67 Ų6781.5 Ų81.569%0.69147%0.473SS*.THydrogen-bonded Turntrans54.633.4-177.200000114.1K43G41-K43 VanDerWaalsContact C-N 3.26Å; G41-K43 PolarHBondContact O-N 2.74Å
42G64.3Low67Low85 Ų8577.2 Ų77.288%0.87645%0.451SS*.THydrogen-bonded Turntrans74.55-175.300000115.6F40F40-G42 PolarHBondContact O-N 2.94Å; F40-G42 VanDerWaalsContact O-N 3.17Å
43K69.5Low70.1Confident164 Ų16471.3 Ų71.371%0.71341%0.414SS*.EExtended strand (participates in β ladder)trans-109.5131.1178.2-64.3176.7-177.5174.20110.9C39 F40 G41C39-K43 WeakPolarHBondContact CA-O 3.4Å; F40-K43 PolarHBondContact N-O 2.7Å; F40-K43 PolarHBondContact O-N 3.41Å; G41-K43 VanDerWaalsContact C-N 3.26Å; G41-K43 PolarHBondContact O-N 2.74Å
44T76.3Confident73.3Confident80 Ų8066 Ų6649%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-67.9127.9166.5-68.40000110.1N37 T46N37-T44 HydrophobicContact CB-CG2 3.61Å; N37-T44 VanDerWaalsContact OD1-CG2 3.3Å; N37-T44 WeakPolarHBondContact OD1-CG2 3.4Å; T44-T46 HydrophobicContact CG2-CG2 4.03Å
45A76.3Confident75.9Confident3 Ų361.8 Ų61.83%0.02537%0.372CS..EExtended strand (participates in β ladder)trans-107.9139.6165.800000110.8N37 Y38 L111 K115N37-A45 WeakPolarHBondContact CA-O 3.49Å; Y38-A45 HydrophobicContact CD1-CB 4.46Å; Y38-A45 PolarHBondContact N-O 3.35Å; Y38-A45 WeakPolarHBondContact O-CB 3.3Å; Y38-A45 PolarHBondContact O-N 3.41Å; A45-L111 HydrophobicContact CB-CD2 4.44Å; A45-K115 HydrophobicContact CB-CD 3.94Å; A45-K115 VanDerWaalsContact CB-CE 3.47Å
46T83.4Confident78.5Confident43 Ų4366.5 Ų66.526%0.26438%0.381SS..  trans-123.7164.2-17770.90000110.4T44 S48 D49 L111T44-T46 HydrophobicContact CG2-CG2 4.03Å; T46-S48 PolarHBondContact O-N 2.97Å; T46-S48 VanDerWaalsContact O-N 3.17Å; T46-S48 PolarHBondContact OG1-N 3.46Å; T46-D49 WeakPolarHBondContact CA-OD2 3.5Å; T46-D49 WeakPolarHBondContact CB-OD2 3.4Å; T46-D49 PolarHBondContact N-OD2 2.79Å; T46-D49 WeakPolarHBondContact O-CB 3.34Å; T46-D49 PolarHBondContact O-N 2.78Å; T46-D49 PolarHBondContact OG1-OD2 2.84Å; T46-L111 VanDerWaalsContact C-CD2 3.43Å; T46-L111 VanDerWaalsContact O-CD2 3.24Å; T46-L111 WeakPolarHBondContact O-CD2 3.36Å
47V83Confident80.7Confident61 Ų6166.1 Ų66.137%0.3738%0.377SS..G310 helixtrans-58.9-27.5174.8-178.50000111.6D49 L50 L107 L129V47-D49 VanDerWaalsContact C-N 3.25Å; V47-D49 PolarHBondContact O-N 3Å; V47-L50 HydrophobicContact CG1-CD1 4.2Å; V47-L50 WeakPolarHBondContact O-CB 3.44Å; V47-L50 PolarHBondContact O-N 3.41Å; V47-L107 HydrophobicContact CG1-CD2 4.34Å; V47-L107 HydrophobicContact CG2-CD2 4.24Å; V47-L129 HydrophobicContact CG1-CD1 3.87Å
48S84.7Confident82.7Confident116 Ų11664.6 Ų64.681%0.81137%0.368SS*.G310 helixtrans-69.3-17.4175.9-55.50000114.2T46 L50T46-S48 PolarHBondContact O-N 2.97Å; T46-S48 VanDerWaalsContact O-N 3.17Å; T46-S48 PolarHBondContact OG1-N 3.46Å; S48-L50 VanDerWaalsContact C-N 3.28Å
49D88.2Confident84.5Confident92 Ų9267.2 Ų67.249%0.49239%0.387SS..G310 helixtrans-84.7-1175.4-58.1-69.3000113T46 V47T46-D49 WeakPolarHBondContact CA-OD2 3.5Å; T46-D49 WeakPolarHBondContact CB-OD2 3.4Å; T46-D49 PolarHBondContact N-OD2 2.79Å; T46-D49 WeakPolarHBondContact O-CB 3.34Å; T46-D49 PolarHBondContact O-N 2.78Å; T46-D49 PolarHBondContact OG1-OD2 2.84Å; V47-D49 VanDerWaalsContact C-N 3.25Å; V47-D49 PolarHBondContact O-N 3Å
50L91.4Very high86.2Confident18 Ų1867.5 Ų67.59%0.09438%0.384CS..SBendtrans-86.1138.3-179.2-62173.1000111.5V47 S48 E52 S110 L111 S114 V127 L129V47-L50 HydrophobicContact CG1-CD1 4.2Å; V47-L50 WeakPolarHBondContact O-CB 3.44Å; V47-L50 PolarHBondContact O-N 3.41Å; S48-L50 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 2.69Å; L50-S110 VanDerWaalsContact CD1-OG 3.3Å; L50-S110 WeakPolarHBondContact CD1-OG 3.46Å; L50-L111 HydrophobicContact CD1-CD2 4.2Å; L50-L111 HydrophobicContact CD2-CD2 4.16Å; L50-L111 HydrophobicContact CG-CD2 4.14Å; L50-S114 WeakPolarHBondContact CD2-OG 3.36Å; L50-V127 HydrophobicContact CB-CG2 3.74Å; L50-V127 HydrophobicContact CD1-CG1 4.44Å; L50-V127 HydrophobicContact CD1-CG2 4.35Å; L50-L129 HydrophobicContact CD1-CD1 3.81Å
51K94.4Very high87.7Confident90 Ų9070.3 Ų70.339%0.39140%0.404SS..  trans-75.883.4177.7-174175.1174.2-170.90110.3V53 I80 P81 I125 G126 V127K51-V53 PolarHBondContact O-N 3.24Å; K51-I80 VanDerWaalsContact CE-CG2 3.48Å; K51-P81 PolarHBondContact NZ-O 3.37Å; K51-I125 WeakPolarHBondContact CD-O 3.16Å; K51-G126 CarbonylContact O-C 3.57Å; K51-G126 WeakPolarHBondContact O-CA 3.44Å; K51-V127 PolarHBondContact O-N 2.88Å
52E96.1Very high89.4Confident55 Ų5572.5 Ų72.526%0.25739%0.391SS..BIsolated β-bridgetrans-62.3125.2173.6-177.372.9-172.800110.6L50 V127 S128 L129 Q130L50-E52 PolarHBondContact O-N 2.69Å; E52-V127 CarbonylContact C-O 3.52Å; E52-V127 WeakPolarHBondContact CA-O 3.4Å; E52-S128 WeakPolarHBondContact OE1-CA 3.43Å; E52-S128 WeakPolarHBondContact OE2-CA 3.39Å; E52-L129 VanDerWaalsContact CD-N 3.35Å; E52-L129 PolarHBondContact OE1-N 2.85Å; E52-L129 PolarHBondContact OE2-N 2.96Å; E52-Q130 HydrophobicContact CG-CG 4.2Å; E52-Q130 WeakPolarHBondContact OE1-CB 3.29Å; E52-Q130 WeakPolarHBondContact OE1-CG 3.11Å; E52-Q130 PolarHBondContact OE1-N 3.14Å; E52-Q130 VanDerWaalsContact OE1-N 3.08Å
53V97.1Very high90.9Very high5 Ų570.8 Ų70.83%0.0337%0.373CS..PPolyproline II helixtrans-103.5122.5175.8-179.90000107.7K51 R55 N57 I58 I80 V127 S128 L137K51-V53 PolarHBondContact O-N 3.24Å; V53-R55 PolarHBondContact O-N 3.19Å; V53-N57 HydrophobicContact CG1-CB 4.28Å; V53-I58 HydrophobicContact CB-CD1 4.19Å; V53-I58 HydrophobicContact CG1-CD1 3.97Å; V53-I58 HydrophobicContact CG1-CG1 3.81Å; V53-I80 HydrophobicContact CG1-CD1 4.09Å; V53-I80 HydrophobicContact CG1-CG1 4.27Å; V53-I80 HydrophobicContact CG2-CD1 3.86Å; V53-I80 HydrophobicContact CG2-CG1 4.41Å; V53-V127 PolarHBondContact N-O 2.9Å; V53-S128 PolarHBondContact O-OG 2.89Å; V53-L137 HydrophobicContact CB-CD2 4.4Å; V53-L137 HydrophobicContact CG1-CD2 4.34Å; V53-L137 HydrophobicContact CG2-CD2 4.32Å
54P96.8Very high91.8Very high50 Ų5064.3 Ų64.333%0.32535%0.346SS..PPolyproline II helixtrans-56.9130.2-178.7-25.834.1000111.6R56 N57P54-R56 HydrophobicContact CB-CG 4.33Å; P54-R56 PolarHBondContact O-N 2.78Å; P54-N57 VanDerWaalsContact O-CB 3.3Å; P54-N57 WeakPolarHBondContact O-CB 3.43Å; P54-N57 PolarHBondContact O-N 2.72Å
55R97.1Very high92.3Very high61 Ų6161 Ų6123%0.2333%0.329CS..G310 helixtrans-51-38.6-173.6-176.254.957.396.81114.4V53 N57 I58 S128 A131 M132 P133V53-R55 PolarHBondContact O-N 3.19Å; R55-N57 PolarHBondContact O-N 3.23Å; R55-I58 PolarHBondContact O-N 2.97Å; R55-I58 VanDerWaalsContact O-N 3.1Å; R55-S128 PolarHBondContact NE-OG 3.18Å; R55-S128 PolarHBondContact NH2-O 3.15Å; R55-S128 PolarHBondContact NH2-OG 3.27Å; R55-S128 VanDerWaalsContact NH2-OG 3.15Å; R55-A131 HydrophobicContact CB-CB 4.39Å; R55-A131 HydrophobicContact CG-CB 4.42Å; R55-A131 PolarHBondContact NH2-O 3.15Å; R55-M132 PolarHBondContact NH1-O 2.87Å; R55-P133 VanDerWaalsContact CZ-O 3.24Å; R55-P133 PolarHBondContact NH1-O 3.25Å; R55-P133 PolarHBondContact NH2-O 3.18Å
56R96.9Very high92.4Very high214 Ų21467.1 Ų67.181%0.80836%0.356SS*.G310 helixtrans-61.8-17.5176.971.6-176.4178.6-100.5-6.7114.7P54 I58P54-R56 HydrophobicContact CB-CG 4.33Å; P54-R56 PolarHBondContact O-N 2.78Å; R56-I58 VanDerWaalsContact C-N 3.32Å
57N97.8Very high91.7Very high33 Ų3366.1 Ų66.118%0.17636%0.355CS..G310 helixtrans-89.73.9177.8-70.242.9000112.3V53 P54 R55 A77 V78V53-N57 HydrophobicContact CG1-CB 4.28Å; P54-N57 VanDerWaalsContact O-CB 3.3Å; P54-N57 WeakPolarHBondContact O-CB 3.43Å; P54-N57 PolarHBondContact O-N 2.72Å; R55-N57 PolarHBondContact O-N 3.23Å; N57-A77 CarbonylContact O-C 3.59Å; N57-A77 WeakPolarHBondContact O-CA 3.35Å; N57-V78 HydrophobicContact CB-CG2 3.93Å; N57-V78 WeakPolarHBondContact CB-O 3.37Å; N57-V78 PolarHBondContact ND2-O 3.29Å; N57-V78 WeakPolarHBondContact O-CG2 3.36Å; N57-V78 PolarHBondContact O-N 3.41Å
58I98.3Very high91Very high21 Ų2165.5 Ų65.511%0.10836%0.356CS..EExtended strand (participates in β ladder)trans-123.9124.3-172.9-47.9170.7000109.1V53 R55 R56 L76 V91 F135 L137V53-I58 HydrophobicContact CB-CD1 4.19Å; V53-I58 HydrophobicContact CG1-CD1 3.97Å; V53-I58 HydrophobicContact CG1-CG1 3.81Å; R55-I58 PolarHBondContact O-N 2.97Å; R55-I58 VanDerWaalsContact O-N 3.1Å; R56-I58 VanDerWaalsContact C-N 3.32Å; I58-L76 WeakPolarHBondContact CA-O 3.44Å; I58-V91 HydrophobicContact CG2-CG2 4.47Å; I58-F135 HydrophobicContact CD1-CD2 4.12Å; I58-F135 HydrophobicContact CG2-CD2 4.32Å; I58-F135 HydrophobicContact CG2-CE2 4.36Å; I58-L137 HydrophobicContact CD1-CD1 4.01Å; I58-L137 HydrophobicContact CD1-CD2 4Å; I58-L137 HydrophobicContact CG1-CD2 4.14Å; I58-L137 HydrophobicContact CG2-CD2 4.47Å
59S97.9Very high90.2Very high59 Ų5961 Ų6141%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-123.7121.2173.859.20000111G75 L76S59-G75 CarbonylContact O-C 3.27Å; S59-G75 WeakPolarHBondContact O-CA 3.35Å; S59-L76 PolarHBondContact N-O 3Å; S59-L76 PolarHBondContact O-N 2.94Å
60L97.4Very high89.6Confident71 Ų7157.7 Ų57.737%0.37231%0.309SS..EExtended strand (participates in β ladder)trans-73.3143.7172-50.8-174.8000109.7Y73 V91 F135L60-Y73 HydrophobicContact CB-CD1 4.15Å; L60-Y73 HydrophobicContact CB-CG 4.37Å; L60-Y73 HydrophobicContact CD1-CD1 4.17Å; L60-Y73 HydrophobicContact CD1-CD2 4.13Å; L60-Y73 HydrophobicContact CD1-CE1 4.44Å; L60-Y73 HydrophobicContact CD1-CE2 4.39Å; L60-Y73 HydrophobicContact CD1-CG 4.02Å; L60-Y73 HydrophobicContact CD2-CG 4.44Å; L60-V91 HydrophobicContact CD2-CB 3.82Å; L60-V91 HydrophobicContact CD2-CG1 3.86Å; L60-V91 HydrophobicContact CD2-CG2 3.91Å; L60-F135 HydrophobicContact CD1-CE1 4.46Å; L60-F135 HydrophobicContact CD1-CZ 4.07Å; L60-F135 HydrophobicContact CD2-CE2 4.39Å; L60-F135 HydrophobicContact CD2-CZ 4.2Å; L60-F135 HydrophobicContact CG-CZ 4.39Å
61T95.6Very high89.5Confident89 Ų8960.6 Ų60.655%0.54632%0.322SS..EExtended strand (participates in β ladder)trans-117.4-52.1-174.9-54.70000112.1E74T61-E74 WeakPolarHBondContact CA-O 3.45Å; T61-E74 WeakPolarHBondContact CB-O 3.35Å; T61-E74 PolarHBondContact N-O 3.44Å
62R95.6Very high89.4Confident113 Ų11356.6 Ų56.643%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-155.3154.3177.562175.8-177.8101.77111.6Y73 E74R62-Y73 CarbonylContact O-C 3.53Å; R62-Y73 WeakPolarHBondContact O-CA 3.2Å; R62-E74 HydrophobicContact CG-CB 3.96Å; R62-E74 IonicContact CZ-OE2 2.98Å; R62-E74 PolarHBondContact N-O 3.42Å; R62-E74 IonicContact NE-OE2 3.46Å; R62-E74 PolarHBondContact NE-OE2 2.95Å; R62-E74 IonicContact NH2-OE2 3.52Å; R62-E74 PolarHBondContact NH2-OE2 2.87Å; R62-E74 PolarHBondContact O-N 3.17Å
63G94.2Very high89.4Confident48 Ų4856.6 Ų56.650%0.49530%0.303SS..EExtended strand (participates in β ladder)trans-67144.3169.500000112.2
64L89.9Confident89.5Confident28 Ų2857.4 Ų57.415%0.14731%0.307CS..EExtended strand (participates in β ladder)trans-109.2-26.8172.2-62.8176.6000112.3V72 E74 A90 L140 W449L64-V72 WeakPolarHBondContact CB-O 3.36Å; L64-V72 HydrophobicContact CD1-CG1 4.48Å; L64-V72 PolarHBondContact N-O 3.04Å; L64-E74 HydrophobicContact CD1-CB 4.25Å; L64-E74 HydrophobicContact CD2-CB 4.12Å; L64-E74 HydrophobicContact CG-CB 4.24Å; L64-A90 HydrophobicContact CD1-CB 4.38Å; L64-L140 HydrophobicContact CD1-CD1 3.92Å; L64-W449 HydrophobicContact CB-CE3 4.15Å; L64-W449 CarbonylContact O-C 3.44Å; L64-W449 WeakPolarHBondContact O-CA 3.08Å
65G85.6Confident89.5Confident12 Ų1255 Ų5512%0.12429%0.291CS..EExtended strand (participates in β ladder)trans154.7-161.6178.900000111.6V72G65-V72 PolarHBondContact N-O 3.34Å; G65-V72 PolarHBondContact O-N 2.8Å
66H79.2Confident89.5Confident130 Ų13054.8 Ų54.860%0.60229%0.294SS*.EExtended strand (participates in β ladder)trans-114.6139.6179.9-62.478.4000110.6G70H66-G70 CarbonylContact C-O 3.5Å; H66-G70 WeakPolarHBondContact CA-O 3.3Å
67G69.2Low89.6Confident23 Ų2344.7 Ų44.724%0.23726%0.256CS..EExtended strand (participates in β ladder)trans-111.8-175.4168.500000111.2F69 G70G67-F69 PolarHBondContact O-N 3.32Å; G67-G70 PolarHBondContact N-O 2.78Å; G67-G70 PolarHBondContact O-N 3.14Å
68A68.6Low89.6Confident48 Ų4845.9 Ų45.940%0.39727%0.265SS..THydrogen-bonded Turntrans-58.3-22.3-174.300000115.8Y446A68-Y446 HydrophobicContact CB-CE1 4.07Å
69F66.7Low89.3Confident22 Ų2247.4 Ų47.410%0.09629%0.286CS..THydrogen-bonded Turntrans-111.3-8.4-174.5-58.8-73.7000114.7G67 L94 P95 D102 D105 F106 E109G67-F69 PolarHBondContact O-N 3.32Å; F69-L94 HydrophobicContact CB-CD1 4Å; F69-L94 HydrophobicContact CD1-CD1 4.36Å; F69-L94 HydrophobicContact CG-CD1 4.46Å; F69-P95 WeakPolarHBondContact O-CD 3.09Å; F69-D102 HydrophobicContact CD1-CB 4.14Å; F69-D105 HydrophobicContact CE1-CB 3.59Å; F69-D105 HydrophobicContact CZ-CB 3.62Å; F69-F106 HydrophobicContact CB-CD2 4.33Å; F69-F106 HydrophobicContact CD2-CD2 4.31Å; F69-F106 HydrophobicContact CG-CD2 4.27Å; F69-E109 WeakPolarHBondContact CE2-OE2 3.32Å
70G76.5Confident89.1Confident21 Ų2145.2 Ų45.222%0.21627%0.27CS..EExtended strand (participates in β ladder)trans153.2-143.8-165.100000112H66 G67H66-G70 CarbonylContact C-O 3.5Å; H66-G70 WeakPolarHBondContact CA-O 3.3Å; G67-G70 PolarHBondContact N-O 2.78Å; G67-G70 PolarHBondContact O-N 3.14Å
71E88.8Confident88.8Confident79 Ų7947 Ų4737%0.36929%0.285SS..EExtended strand (participates in β ladder)trans-99.9159.3-173.1-66.9176.3128.200112Y73 T93E71-Y73 HydrophobicContact CB-CD2 4.15Å; E71-Y73 HydrophobicContact CB-CE2 3.52Å; E71-Y73 VanDerWaalsContact CD-OH 3.29Å; E71-Y73 HydrophobicContact CG-CE2 4.39Å; E71-Y73 WeakPolarHBondContact OE2-CE2 3.37Å; E71-Y73 PolarHBondContact OE2-OH 3.38Å; E71-T93 PolarHBondContact N-OG1 3.08Å; E71-T93 PolarHBondContact O-N 2.85Å; E71-T93 PolarHBondContact O-OG1 3.03Å
72V92.8Very high88.5Confident6 Ų646.9 Ų46.94%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-124.2134.6165.8-171.10000109.7L64 G65 A90 V91 K92 W449L64-V72 WeakPolarHBondContact CB-O 3.36Å; L64-V72 HydrophobicContact CD1-CG1 4.48Å; L64-V72 PolarHBondContact N-O 3.04Å; G65-V72 PolarHBondContact N-O 3.34Å; G65-V72 PolarHBondContact O-N 2.8Å; V72-A90 HydrophobicContact CG1-CB 4.23Å; V72-V91 WeakPolarHBondContact CA-O 3.45Å; V72-K92 HydrophobicContact CG2-CB 4.13Å; V72-K92 HydrophobicContact CG2-CG 3.89Å; V72-W449 HydrophobicContact CB-CH2 3.74Å; V72-W449 HydrophobicContact CB-CZ3 3.53Å; V72-W449 HydrophobicContact CG1-CH2 4.1Å; V72-W449 HydrophobicContact CG1-CZ3 4.23Å; V72-W449 HydrophobicContact CG2-CH2 3.46Å; V72-W449 VanDerWaalsContact CG2-CH2 3.46Å; V72-W449 HydrophobicContact CG2-CZ3 3.58Å
73Y96.3Very high88.4Confident55 Ų5543.4 Ų43.422%0.21629%0.29CS..EExtended strand (participates in β ladder)trans-115.1148.6-177.1-71.6-100.9000110.7L60 R62 E71 A90 V91 T93L60-Y73 HydrophobicContact CB-CD1 4.15Å; L60-Y73 HydrophobicContact CB-CG 4.37Å; L60-Y73 HydrophobicContact CD1-CD1 4.17Å; L60-Y73 HydrophobicContact CD1-CD2 4.13Å; L60-Y73 HydrophobicContact CD1-CE1 4.44Å; L60-Y73 HydrophobicContact CD1-CE2 4.39Å; L60-Y73 HydrophobicContact CD1-CG 4.02Å; L60-Y73 HydrophobicContact CD2-CG 4.44Å; R62-Y73 CarbonylContact O-C 3.53Å; R62-Y73 WeakPolarHBondContact O-CA 3.2Å; E71-Y73 HydrophobicContact CB-CD2 4.15Å; E71-Y73 HydrophobicContact CB-CE2 3.52Å; E71-Y73 VanDerWaalsContact CD-OH 3.29Å; E71-Y73 HydrophobicContact CG-CE2 4.39Å; E71-Y73 WeakPolarHBondContact OE2-CE2 3.37Å; E71-Y73 PolarHBondContact OE2-OH 3.38Å; Y73-A90 CarbonylContact O-C 3.47Å; Y73-A90 WeakPolarHBondContact O-CA 3.49Å; Y73-V91 PolarHBondContact N-O 3.41Å; Y73-V91 PolarHBondContact O-N 2.9Å; Y73-T93 HydrophobicContact CD2-CG2 3.86Å; Y73-T93 HydrophobicContact CE2-CG2 4.07Å
74E97.6Very high88.4Confident23 Ų2345 Ų4511%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-74.2137.7152.4175.4171.7-173.900107.7T61 R62 L64 Q88 L140T61-E74 WeakPolarHBondContact CA-O 3.45Å; T61-E74 WeakPolarHBondContact CB-O 3.35Å; T61-E74 PolarHBondContact N-O 3.44Å; R62-E74 HydrophobicContact CG-CB 3.96Å; R62-E74 IonicContact CZ-OE2 2.98Å; R62-E74 PolarHBondContact N-O 3.42Å; R62-E74 IonicContact NE-OE2 3.46Å; R62-E74 PolarHBondContact NE-OE2 2.95Å; R62-E74 IonicContact NH2-OE2 3.52Å; R62-E74 PolarHBondContact NH2-OE2 2.87Å; R62-E74 PolarHBondContact O-N 3.17Å; L64-E74 HydrophobicContact CD1-CB 4.25Å; L64-E74 HydrophobicContact CD2-CB 4.12Å; L64-E74 HydrophobicContact CG-CB 4.24Å; E74-Q88 PolarHBondContact OE1-NE2 2.93Å; E74-L140 HydrophobicContact CB-CD1 4.37Å; E74-L140 HydrophobicContact CG-CD1 4.32Å; E74-L140 HydrophobicContact CG-CD2 3.91Å; E74-L140 WeakPolarHBondContact OE1-CD2 3.45Å
75G97.6Very high88.6Confident0 Ų047.3 Ų47.30%031%0.311CS..EExtended strand (participates in β ladder)trans-148.5174.9175.600000112.5S59 V89S59-G75 CarbonylContact O-C 3.27Å; S59-G75 WeakPolarHBondContact O-CA 3.35Å; G75-V89 PolarHBondContact N-O 2.91Å; G75-V89 WeakPolarHBondContact O-CG2 3.36Å; G75-V89 PolarHBondContact O-N 3.31Å
76L97.9Very high89Confident56 Ų5650.5 Ų50.529%0.29333%0.329SS..EExtended strand (participates in β ladder)trans-113.9140.7172.4-56.4178.1000109.5I58 S59 P86 L87 Q88I58-L76 WeakPolarHBondContact CA-O 3.44Å; S59-L76 PolarHBondContact N-O 3Å; S59-L76 PolarHBondContact O-N 2.94Å; L76-P86 HydrophobicContact CB-CB 4.12Å; L76-P86 HydrophobicContact CD1-CB 4.3Å; L76-P86 HydrophobicContact CD2-CB 4.35Å; L76-P86 HydrophobicContact CG-CB 4.5Å; L76-L87 CarbonylContact C-O 3.59Å; L76-L87 WeakPolarHBondContact CA-O 3.48Å; L76-Q88 HydrophobicContact CD2-CB 4.47Å; L76-Q88 HydrophobicContact CD2-CG 3.59Å
77A97.9Very high89.9Confident1 Ų145.3 Ų45.31%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-121.5136.5171.900000110.5N57 I80 P86 L87 V89 L137N57-A77 CarbonylContact O-C 3.59Å; N57-A77 WeakPolarHBondContact O-CA 3.35Å; A77-I80 HydrophobicContact CB-CD1 3.68Å; A77-I80 HydrophobicContact CB-CG1 4.43Å; A77-P86 WeakPolarHBondContact O-CA 3.48Å; A77-L87 PolarHBondContact N-O 3.2Å; A77-L87 PolarHBondContact O-N 3.4Å; A77-V89 HydrophobicContact CB-CG1 4.21Å; A77-V89 HydrophobicContact CB-CG2 4.28Å; A77-L137 HydrophobicContact CB-CD2 4.07Å
78V97.5Very high91.3Very high58 Ų5849.5 Ų49.535%0.35232%0.319SS..  trans-120.6153.3-177.3-66.40000112.8N57 I80 P86N57-V78 HydrophobicContact CB-CG2 3.93Å; N57-V78 WeakPolarHBondContact CB-O 3.37Å; N57-V78 PolarHBondContact ND2-O 3.29Å; N57-V78 WeakPolarHBondContact O-CG2 3.36Å; N57-V78 PolarHBondContact O-N 3.41Å; V78-I80 VanDerWaalsContact C-N 3.25Å; V78-I80 PolarHBondContact O-N 2.77Å; V78-P86 HydrophobicContact CG1-CB 3.98Å
79G93.1Very high92.7Very high54 Ų5447.2 Ų47.256%0.55730%0.3SS*.SBendtrans63.325.4173.300000115.1S85G79-S85 PolarHBondContact N-OG 2.88Å; G79-S85 VanDerWaalsContact N-OG 3.13Å
80I93.1Very high94.1Very high13 Ų1346.7 Ų46.77%0.06730%0.3CS..  trans-81.6124.1173.9-59.3-172.6000108.9K51 V53 A77 V78 G82 E83 I125K51-I80 VanDerWaalsContact CE-CG2 3.48Å; V53-I80 HydrophobicContact CG1-CD1 4.09Å; V53-I80 HydrophobicContact CG1-CG1 4.27Å; V53-I80 HydrophobicContact CG2-CD1 3.86Å; V53-I80 HydrophobicContact CG2-CG1 4.41Å; A77-I80 HydrophobicContact CB-CD1 3.68Å; A77-I80 HydrophobicContact CB-CG1 4.43Å; V78-I80 VanDerWaalsContact C-N 3.25Å; V78-I80 PolarHBondContact O-N 2.77Å; I80-G82 PolarHBondContact O-N 2.9Å; I80-E83 HydrophobicContact CB-CB 4.14Å; I80-E83 HydrophobicContact CB-CG 3.82Å; I80-E83 HydrophobicContact CG2-CB 4.33Å; I80-E83 HydrophobicContact CG2-CG 3.48Å; I80-E83 VanDerWaalsContact CG2-CG 3.48Å; I80-E83 PolarHBondContact O-N 2.9Å; I80-I125 HydrophobicContact CD1-CG2 3.76Å
81P90.6Very high95.1Very high108 Ų10845.7 Ų45.770%0.70129%0.29SS*.THydrogen-bonded Turntrans-60.3132.2178.1-24.734.7000112.3K51K51-P81 PolarHBondContact NZ-O 3.37Å
82G90.8Very high95.4Very high87 Ų8742.6 Ų42.690%0.89728%0.275SS*.THydrogen-bonded Turntrans86.8-6.6-179.500000115.5I80I80-G82 PolarHBondContact O-N 2.9Å
83E93.4Very high95.5Very high39 Ų3942.7 Ų42.718%0.18228%0.276CS..SBendtrans-107.5159.1-175.5-53.1-62.7158.600112.2I80 L87 R123I80-E83 HydrophobicContact CB-CB 4.14Å; I80-E83 HydrophobicContact CB-CG 3.82Å; I80-E83 HydrophobicContact CG2-CB 4.33Å; I80-E83 HydrophobicContact CG2-CG 3.48Å; I80-E83 VanDerWaalsContact CG2-CG 3.48Å; I80-E83 PolarHBondContact O-N 2.9Å; E83-L87 HydrophobicContact CB-CD2 4.14Å; E83-L87 HydrophobicContact CG-CD2 4.04Å; E83-R123 IonicContact OE1-CZ 3.5Å; E83-R123 IonicContact OE1-NH1 2.7Å; E83-R123 PolarHBondContact OE1-NH1 3.24Å; E83-R123 IonicContact OE1-NH2 3.39Å; E83-R123 PolarHBondContact OE1-NH2 3.26Å; E83-R123 IonicContact OE2-CZ 3.63Å; E83-R123 IonicContact OE2-NH1 3.61Å; E83-R123 IonicContact OE2-NH2 2.74Å; E83-R123 PolarHBondContact OE2-NH2 3.36Å
84P93.3Very high95.3Very high83 Ų8340.1 Ų40.154%0.53927%0.266SS..  trans-60.4157160.229.2-36000111L87P84-L87 HydrophobicContact CG-CB 4.31Å; P84-L87 HydrophobicContact CG-CD1 3.78Å; P84-L87 WeakPolarHBondContact O-CB 3.45Å; P84-L87 PolarHBondContact O-N 3.17Å
85S93.9Very high94.8Very high76 Ų7641.4 Ų41.453%0.53128%0.276SS..SBendtrans-138.1112.8179.8-176.10000110.1G79G79-S85 PolarHBondContact N-OG 2.88Å; G79-S85 VanDerWaalsContact N-OG 3.13Å
86P94.8Very high94.4Very high78 Ų7848.4 Ų48.451%0.50631%0.309SS..SBendcis-71146.1-0.530.6-35.5000113.4L76 A77 V78L76-P86 HydrophobicContact CB-CB 4.12Å; L76-P86 HydrophobicContact CD1-CB 4.3Å; L76-P86 HydrophobicContact CD2-CB 4.35Å; L76-P86 HydrophobicContact CG-CB 4.5Å; A77-P86 WeakPolarHBondContact O-CA 3.48Å; V78-P86 HydrophobicContact CG1-CB 3.98Å
87L97.4Very high93.9Very high22 Ų2252.4 Ų52.412%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-96.3130.3165.1173.767.8000108.9L76 A77 E83 P84 V89 I125L76-L87 CarbonylContact C-O 3.59Å; L76-L87 WeakPolarHBondContact CA-O 3.48Å; A77-L87 PolarHBondContact N-O 3.2Å; A77-L87 PolarHBondContact O-N 3.4Å; E83-L87 HydrophobicContact CB-CD2 4.14Å; E83-L87 HydrophobicContact CG-CD2 4.04Å; P84-L87 HydrophobicContact CG-CB 4.31Å; P84-L87 HydrophobicContact CG-CD1 3.78Å; P84-L87 WeakPolarHBondContact O-CB 3.45Å; P84-L87 PolarHBondContact O-N 3.17Å; L87-V89 HydrophobicContact CD2-CG1 3.8Å; L87-V89 HydrophobicContact CG-CG1 3.86Å; L87-I125 HydrophobicContact CD2-CD1 4.19Å; L87-I125 HydrophobicContact CD2-CG1 4.35Å; L87-I125 HydrophobicContact CD2-CG2 3.63Å
88Q97.8Very high93.4Very high110 Ų11054.4 Ų54.451%0.51435%0.349SS..EExtended strand (participates in β ladder)trans-73.9131167-83175.9-7600110.7E74 L76 L140E74-Q88 PolarHBondContact OE1-NE2 2.93Å; L76-Q88 HydrophobicContact CD2-CB 4.47Å; L76-Q88 HydrophobicContact CD2-CG 3.59Å; Q88-L140 HydrophobicContact CB-CB 4.48Å; Q88-L140 HydrophobicContact CB-CD2 3.84Å; Q88-L140 HydrophobicContact CG-CD2 4.36Å
89V98.1Very high92.9Very high0 Ų054.3 Ų54.30%035%0.351CS..EExtended strand (participates in β ladder)trans-135.2152.5-176.7-65.60000111.4G75 A77 L87 V91 I125 L137 L138G75-V89 PolarHBondContact N-O 2.91Å; G75-V89 WeakPolarHBondContact O-CG2 3.36Å; G75-V89 PolarHBondContact O-N 3.31Å; A77-V89 HydrophobicContact CB-CG1 4.21Å; A77-V89 HydrophobicContact CB-CG2 4.28Å; L87-V89 HydrophobicContact CD2-CG1 3.8Å; L87-V89 HydrophobicContact CG-CG1 3.86Å; V89-V91 HydrophobicContact CG2-CG2 3.68Å; V89-I125 HydrophobicContact CG1-CG1 4.06Å; V89-I125 HydrophobicContact CG1-CG2 4.33Å; V89-L137 HydrophobicContact CG2-CD2 4.49Å; V89-L138 CarbonylContact C-O 3.56Å; V89-L138 WeakPolarHBondContact CA-O 3.28Å; V89-L138 WeakPolarHBondContact CB-O 3.26Å
90A97.7Very high92.5Very high12 Ų1257.4 Ų57.410%0.09935%0.351CS..EExtended strand (participates in β ladder)trans-88.8131.3158.400000108.7L64 V72 Y73 L138 L140L64-A90 HydrophobicContact CD1-CB 4.38Å; V72-A90 HydrophobicContact CG1-CB 4.23Å; Y73-A90 CarbonylContact O-C 3.47Å; Y73-A90 WeakPolarHBondContact O-CA 3.49Å; A90-L138 HydrophobicContact CB-CB 4.32Å; A90-L138 PolarHBondContact N-O 2.91Å; A90-L138 PolarHBondContact O-N 3.41Å; A90-L140 HydrophobicContact CB-CD1 4.16Å
91V97Very high91.9Very high0 Ų060.1 Ų60.10%036%0.363CS..EExtended strand (participates in β ladder)trans-116105.1-177.3-169.50000109I58 L60 V72 Y73 V89 F135 I136I58-V91 HydrophobicContact CG2-CG2 4.47Å; L60-V91 HydrophobicContact CD2-CB 3.82Å; L60-V91 HydrophobicContact CD2-CG1 3.86Å; L60-V91 HydrophobicContact CD2-CG2 3.91Å; V72-V91 WeakPolarHBondContact CA-O 3.45Å; Y73-V91 PolarHBondContact N-O 3.41Å; Y73-V91 PolarHBondContact O-N 2.9Å; V89-V91 HydrophobicContact CG2-CG2 3.68Å; V91-F135 HydrophobicContact CG1-CB 3.69Å; V91-F135 HydrophobicContact CG1-CD1 3.73Å; V91-F135 HydrophobicContact CG1-CD2 3.86Å; V91-F135 HydrophobicContact CG1-CE1 4.3Å; V91-F135 HydrophobicContact CG1-CE2 4.4Å; V91-F135 HydrophobicContact CG1-CG 3.51Å; V91-I136 WeakPolarHBondContact CA-O 3.36Å
92K95.1Very high91.6Very high13 Ų1357.5 Ų57.56%0.05734%0.343CS..EExtended strand (participates in β ladder)trans-82.1129.1174.9-168.1179.6-155.6178.20108.9V72 F106 E109 F135 I136V72-K92 HydrophobicContact CG2-CB 4.13Å; V72-K92 HydrophobicContact CG2-CG 3.89Å; K92-F106 HydrophobicContact CG-CE2 4.29Å; K92-E109 VanDerWaalsContact CD-OE1 3.28Å; K92-E109 WeakPolarHBondContact CD-OE1 3.48Å; K92-E109 WeakPolarHBondContact CE-OE1 3.12Å; K92-E109 IonicContact NZ-OE1 3.59Å; K92-E109 PolarHBondContact NZ-OE1 2.74Å; K92-E109 IonicContact NZ-OE2 3.55Å; K92-E109 PolarHBondContact NZ-OE2 3.17Å; K92-F135 WeakPolarHBondContact O-CA 3.26Å; K92-I136 HydrophobicContact CB-CB 4.41Å; K92-I136 PolarHBondContact N-O 2.97Å; K92-I136 PolarHBondContact O-N 3.15Å
93T94.2Very high91.4Very high9 Ų956.2 Ų56.26%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-105.3147.8-175.875.10000112.5E71 Y73 R134 F135E71-T93 PolarHBondContact N-OG1 3.08Å; E71-T93 PolarHBondContact O-N 2.85Å; E71-T93 PolarHBondContact O-OG1 3.03Å; Y73-T93 HydrophobicContact CD2-CG2 3.86Å; Y73-T93 HydrophobicContact CE2-CG2 4.07Å; T93-R134 WeakPolarHBondContact CA-O 3.32Å; T93-F135 HydrophobicContact CG2-CD1 3.85Å; T93-F135 HydrophobicContact CG2-CE1 3.7Å
94L92.8Very high90.9Very high0 Ų057 Ų570%032%0.319CS..EExtended strand (participates in β ladder)trans-112.3117.7161.5-177.169.5000108.3F69 C98 D102 E103 F106 P133 R134F69-L94 HydrophobicContact CB-CD1 4Å; F69-L94 HydrophobicContact CD1-CD1 4.36Å; F69-L94 HydrophobicContact CG-CD1 4.46Å; L94-C98 HydrophobicContact CD1-CB 4.08Å; L94-D102 HydrophobicContact CD1-CB 4.09Å; L94-E103 HydrophobicContact CD2-CB 4.43Å; L94-E103 HydrophobicContact CD2-CG 4.16Å; L94-F106 HydrophobicContact CB-CD1 4.03Å; L94-F106 HydrophobicContact CB-CD2 3.8Å; L94-F106 HydrophobicContact CB-CE1 3.99Å; L94-F106 HydrophobicContact CB-CE2 3.77Å; L94-F106 HydrophobicContact CB-CG 3.92Å; L94-F106 HydrophobicContact CB-CZ 3.85Å; L94-F106 HydrophobicContact CD1-CB 4.27Å; L94-F106 HydrophobicContact CD1-CD2 4.37Å; L94-F106 HydrophobicContact CD1-CG 4.39Å; L94-F106 HydrophobicContact CD2-CB 4.06Å; L94-F106 HydrophobicContact CD2-CD1 4.12Å; L94-F106 HydrophobicContact CD2-CG 4.09Å; L94-F106 HydrophobicContact CG-CG 4.36Å; L94-P133 WeakPolarHBondContact O-CA 3.37Å; L94-P133 WeakPolarHBondContact O-CB 3.5Å; L94-R134 HydrophobicContact CB-CB 4.19Å; L94-R134 PolarHBondContact N-O 3.43Å; L94-R134 PolarHBondContact O-N 3.39Å; L94-R134 VanDerWaalsContact O-N 3.15Å
95P87.1Confident90.4Very high50 Ų5054.1 Ų54.133%0.32530%0.299SS..  trans-57154177-26.635.5000113.5F69 V97 C98F69-P95 WeakPolarHBondContact O-CD 3.09Å; P95-V97 PolarHBondContact O-N 3.09Å; P95-C98 PolarHBondContact O-SG 2.88Å
96E88.4Confident90.1Very high148 Ų14850.5 Ų50.569%0.69227%0.274SS*.SBendtrans-67.8-25.7174.2-172.4171.5-156.200112.9M132E96-M132 HydrophobicContact CB-CB 4.38Å; E96-M132 HydrophobicContact CB-CE 4.42Å; E96-M132 HydrophobicContact CG-CB 4.19Å; E96-M132 HydrophobicContact CG-CG 4.39Å
97V88.9Confident89.8Confident140 Ų14048 Ų4885%0.84826%0.256SS*.SBendtrans-103.691.9171.4-175.10000108.7P95P95-V97 PolarHBondContact O-N 3.09Å
98C86.8Confident89.1Confident42 Ų4248.5 Ų48.528%0.28426%0.258SS..  trans-138.7172.9173.459.60000110.2L94 P95 D102L94-C98 HydrophobicContact CD1-CB 4.08Å; P95-C98 PolarHBondContact O-SG 2.88Å; C98-D102 HydrophobicContact CB-CB 3.9Å
99S86.8Confident88.7Confident56 Ų5643.4 Ų43.439%0.39223%0.234SC..  trans-86.5161.1174.776.90000112Q101 D102 E103S99-Q101 PolarHBondContact O-N 3.05Å; S99-Q101 PolarHBondContact OG-N 3.41Å; S99-D102 WeakPolarHBondContact CA-OD2 3.24Å; S99-D102 WeakPolarHBondContact CB-OD2 3.45Å; S99-D102 PolarHBondContact N-OD2 2.99Å; S99-D102 WeakPolarHBondContact O-CB 3.44Å; S99-D102 PolarHBondContact O-N 2.95Å; S99-D102 PolarHBondContact OG-N 3.34Å; S99-D102 PolarHBondContact OG-OD2 2.82Å; S99-E103 PolarHBondContact O-N 3.31Å; S99-E103 VanDerWaalsContact O-N 3.13Å
100E84.2Confident88.3Confident120 Ų12043.4 Ų43.456%0.56123%0.234SC*.Hα-helixtrans-55.6-34173.2-71.7157.6-136.900111.9K24 E103 L104K24-E100 IonicContact NZ-OE1 3.6Å; K24-E100 PolarHBondContact NZ-OE1 3.17Å; E100-E103 PolarHBondContact O-N 2.97Å; E100-L104 WeakPolarHBondContact O-CG 3.47Å; E100-L104 PolarHBondContact O-N 2.84Å
101Q81.1Confident87.9Confident70 Ų7043 Ų4333%0.32723%0.23SC..Hα-helixtrans-67.9-38.8174.9-177.371.576.900112.2S99 E103 L104 D105S99-Q101 PolarHBondContact O-N 3.05Å; S99-Q101 PolarHBondContact OG-N 3.41Å; Q101-E103 VanDerWaalsContact C-N 3.31Å; Q101-E103 PolarHBondContact O-N 2.79Å; Q101-L104 PolarHBondContact O-N 2.72Å; Q101-D105 PolarHBondContact NE2-OD1 3.12Å; Q101-D105 WeakPolarHBondContact O-CB 3.31Å; Q101-D105 VanDerWaalsContact O-CG 3.31Å; Q101-D105 PolarHBondContact O-N 3.5Å
102D84.4Confident87.4Confident52 Ų5243 Ų4328%0.27823%0.23SC..Hα-helixtrans-65.3-37.5178.2-57.1-57000111.1F69 L94 C98 S99 F106F69-D102 HydrophobicContact CD1-CB 4.14Å; L94-D102 HydrophobicContact CD1-CB 4.09Å; C98-D102 HydrophobicContact CB-CB 3.9Å; S99-D102 WeakPolarHBondContact CA-OD2 3.24Å; S99-D102 WeakPolarHBondContact CB-OD2 3.45Å; S99-D102 PolarHBondContact N-OD2 2.99Å; S99-D102 WeakPolarHBondContact O-CB 3.44Å; S99-D102 PolarHBondContact O-N 2.95Å; S99-D102 PolarHBondContact OG-N 3.34Å; S99-D102 PolarHBondContact OG-OD2 2.82Å; D102-F106 VanDerWaalsContact O-CB 3.23Å; D102-F106 WeakPolarHBondContact O-CB 3.31Å; D102-F106 PolarHBondContact O-N 3.46Å
103E86.6Confident87.2Confident60 Ų6042.4 Ų42.428%0.2823%0.228SC..Hα-helixtrans-59.9-45.8171.8-63.2-152.9168.900112L94 S99 E100 Q101 L107 R134L94-E103 HydrophobicContact CD2-CB 4.43Å; L94-E103 HydrophobicContact CD2-CG 4.16Å; S99-E103 PolarHBondContact O-N 3.31Å; S99-E103 VanDerWaalsContact O-N 3.13Å; E100-E103 PolarHBondContact O-N 2.97Å; Q101-E103 VanDerWaalsContact C-N 3.31Å; Q101-E103 PolarHBondContact O-N 2.79Å; E103-L107 WeakPolarHBondContact O-CB 3.17Å; E103-L107 VanDerWaalsContact O-CG 3.25Å; E103-L107 WeakPolarHBondContact O-CG 3.35Å; E103-L107 PolarHBondContact O-N 2.84Å; E103-R134 VanDerWaalsContact CD-CZ 3.47Å; E103-R134 IonicContact OE1-CZ 3.41Å; E103-R134 IonicContact OE1-NH1 3.19Å; E103-R134 IonicContact OE1-NH2 2.85Å; E103-R134 PolarHBondContact OE1-NH2 2.81Å; E103-R134 IonicContact OE2-CZ 3.41Å; E103-R134 IonicContact OE2-NH1 2.72Å; E103-R134 PolarHBondContact OE2-NH1 2.89Å; E103-R134 IonicContact OE2-NH2 2.69Å; E103-R134 PolarHBondContact OE2-NH2 2.86Å
104L83.4Confident87.1Confident56 Ų5643.8 Ų43.829%0.29324%0.238SC..Hα-helixtrans-67.5-42.8179.8-64.2-174.4000112.1Y34 E100 Q101 F106 L107 M108Y34-L104 HydrophobicContact CE2-CD1 3.88Å; Y34-L104 HydrophobicContact CE2-CD2 3.52Å; Y34-L104 HydrophobicContact CE2-CG 4.35Å; Y34-L104 WeakPolarHBondContact OH-CD2 3.25Å; E100-L104 WeakPolarHBondContact O-CG 3.47Å; E100-L104 PolarHBondContact O-N 2.84Å; Q101-L104 PolarHBondContact O-N 2.72Å; L104-F106 VanDerWaalsContact C-N 3.31Å; L104-F106 PolarHBondContact O-N 2.93Å; L104-L107 PolarHBondContact O-N 3.48Å; L104-M108 WeakPolarHBondContact O-CB 3.48Å; L104-M108 VanDerWaalsContact O-CG 3.31Å; L104-M108 WeakPolarHBondContact O-CG 3.41Å; L104-M108 PolarHBondContact O-N 3.32Å
105D81.5Confident86.9Confident23 Ų2346.7 Ų46.712%0.12325%0.25CS..Hα-helixtrans-67.4-34.3-179.6-70.9-7000111.2F69 Q101 E109 R217F69-D105 HydrophobicContact CE1-CB 3.59Å; F69-D105 HydrophobicContact CZ-CB 3.62Å; Q101-D105 PolarHBondContact NE2-OD1 3.12Å; Q101-D105 WeakPolarHBondContact O-CB 3.31Å; Q101-D105 VanDerWaalsContact O-CG 3.31Å; Q101-D105 PolarHBondContact O-N 3.5Å; D105-E109 WeakPolarHBondContact O-CB 3.12Å; D105-E109 PolarHBondContact O-N 3.13Å; D105-R217 WeakPolarHBondContact O-CD 3.36Å; D105-R217 PolarHBondContact O-NH1 3.32Å
106F87.7Confident87.1Confident0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-69.3-44.1172.6-169.5-96.2000112.3F69 K92 L94 D102 L104 E109 S110 L129 R134 I136F69-F106 HydrophobicContact CB-CD2 4.33Å; F69-F106 HydrophobicContact CD2-CD2 4.31Å; F69-F106 HydrophobicContact CG-CD2 4.27Å; K92-F106 HydrophobicContact CG-CE2 4.29Å; L94-F106 HydrophobicContact CB-CD1 4.03Å; L94-F106 HydrophobicContact CB-CD2 3.8Å; L94-F106 HydrophobicContact CB-CE1 3.99Å; L94-F106 HydrophobicContact CB-CE2 3.77Å; L94-F106 HydrophobicContact CB-CG 3.92Å; L94-F106 HydrophobicContact CB-CZ 3.85Å; L94-F106 HydrophobicContact CD1-CB 4.27Å; L94-F106 HydrophobicContact CD1-CD2 4.37Å; L94-F106 HydrophobicContact CD1-CG 4.39Å; L94-F106 HydrophobicContact CD2-CB 4.06Å; L94-F106 HydrophobicContact CD2-CD1 4.12Å; L94-F106 HydrophobicContact CD2-CG 4.09Å; L94-F106 HydrophobicContact CG-CG 4.36Å; D102-F106 VanDerWaalsContact O-CB 3.23Å; D102-F106 WeakPolarHBondContact O-CB 3.31Å; D102-F106 PolarHBondContact O-N 3.46Å; L104-F106 VanDerWaalsContact C-N 3.31Å; L104-F106 PolarHBondContact O-N 2.93Å; F106-E109 WeakPolarHBondContact O-CB 3.36Å; F106-E109 PolarHBondContact O-N 3.45Å; F106-S110 PolarHBondContact O-N 3.01Å; F106-L129 HydrophobicContact CD1-CD2 4.47Å; F106-L129 HydrophobicContact CE1-CD2 4.11Å; F106-R134 HydrophobicContact CD1-CB 4.43Å; F106-R134 HydrophobicContact CE1-CB 3.79Å; F106-R134 HydrophobicContact CZ-CB 4.45Å; F106-R134 WeakPolarHBondContact CZ-O 3.44Å; F106-I136 HydrophobicContact CD1-CD1 4.21Å; F106-I136 HydrophobicContact CD1-CG1 4.37Å; F106-I136 HydrophobicContact CD2-CD1 4.09Å; F106-I136 HydrophobicContact CE1-CD1 4.01Å; F106-I136 HydrophobicContact CE1-CG1 3.74Å; F106-I136 HydrophobicContact CE2-CD1 3.89Å; F106-I136 HydrophobicContact CE2-CG1 4.17Å; F106-I136 HydrophobicContact CG-CD1 4.26Å; F106-I136 HydrophobicContact CZ-CB 4.42Å; F106-I136 HydrophobicContact CZ-CD1 3.86Å; F106-I136 HydrophobicContact CZ-CG1 3.64Å
107L88Confident87.3Confident25 Ų2544.2 Ų44.213%0.13124%0.238CC..Hα-helixtrans-61.4-47.3174.3-74171000111.3V47 E103 L104 E109 S110 L111 L129V47-L107 HydrophobicContact CG1-CD2 4.34Å; V47-L107 HydrophobicContact CG2-CD2 4.24Å; E103-L107 WeakPolarHBondContact O-CB 3.17Å; E103-L107 VanDerWaalsContact O-CG 3.25Å; E103-L107 WeakPolarHBondContact O-CG 3.35Å; E103-L107 PolarHBondContact O-N 2.84Å; L104-L107 PolarHBondContact O-N 3.48Å; L107-E109 VanDerWaalsContact C-N 3.32Å; L107-E109 PolarHBondContact O-N 3.35Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 PolarHBondContact O-OG 3.44Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L129 HydrophobicContact CD2-CD1 3.67Å; L107-L129 HydrophobicContact CD2-CD2 4.27Å
108M84.6Confident87.7Confident32 Ų3239.7 Ų39.716%0.15821%0.208CC..Hα-helixtrans-62.5-36.4176.9-73.9-60.8-63.200112.4Y38 L104 L111 I112 R217 Y220Y38-M108 HydrophobicContact CD2-CE 3.89Å; Y38-M108 HydrophobicContact CG-CE 4.32Å; L104-M108 WeakPolarHBondContact O-CB 3.48Å; L104-M108 VanDerWaalsContact O-CG 3.31Å; L104-M108 WeakPolarHBondContact O-CG 3.41Å; L104-M108 PolarHBondContact O-N 3.32Å; M108-L111 PolarHBondContact O-N 3.41Å; M108-L111 HydrophobicContact SD-CD1 4Å; M108-I112 WeakPolarHBondContact O-CB 3.46Å; M108-I112 WeakPolarHBondContact O-CD1 3.39Å; M108-I112 VanDerWaalsContact O-CG1 3.24Å; M108-I112 WeakPolarHBondContact O-CG1 3.22Å; M108-I112 PolarHBondContact O-N 2.96Å; M108-R217 HydrophobicContact CB-CG 4.2Å; M108-Y220 HydrophobicContact CE-CD2 4.3Å; M108-Y220 HydrophobicContact CE-CG 4.38Å
109E87.5Confident88.2Confident4 Ų443.3 Ų43.32%0.01922%0.221CC..Hα-helixtrans-60.6-48.1172.6-155.5-177.1120.200111.4F69 K92 D105 F106 L107 L111 I112 I113 I136 R217F69-E109 WeakPolarHBondContact CE2-OE2 3.32Å; K92-E109 VanDerWaalsContact CD-OE1 3.28Å; K92-E109 WeakPolarHBondContact CD-OE1 3.48Å; K92-E109 WeakPolarHBondContact CE-OE1 3.12Å; K92-E109 IonicContact NZ-OE1 3.59Å; K92-E109 PolarHBondContact NZ-OE1 2.74Å; K92-E109 IonicContact NZ-OE2 3.55Å; K92-E109 PolarHBondContact NZ-OE2 3.17Å; D105-E109 WeakPolarHBondContact O-CB 3.12Å; D105-E109 PolarHBondContact O-N 3.13Å; F106-E109 WeakPolarHBondContact O-CB 3.36Å; F106-E109 PolarHBondContact O-N 3.45Å; L107-E109 VanDerWaalsContact C-N 3.32Å; L107-E109 PolarHBondContact O-N 3.35Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.23Å; E109-I112 PolarHBondContact O-N 2.7Å; E109-I113 VanDerWaalsContact O-CG2 3.26Å; E109-I113 WeakPolarHBondContact O-CG2 3.39Å; E109-I113 PolarHBondContact O-N 3.3Å; E109-I136 HydrophobicContact CB-CD1 4.34Å; E109-R217 IonicContact OE2-CZ 2.7Å; E109-R217 IonicContact OE2-NH1 2.65Å; E109-R217 PolarHBondContact OE2-NH1 3.45Å
110S89.9Confident88.8Confident0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-62.2-38.4179.178.10000112.2L50 F106 L107 S114L50-S110 VanDerWaalsContact CD1-OG 3.3Å; L50-S110 WeakPolarHBondContact CD1-OG 3.46Å; F106-S110 PolarHBondContact O-N 3.01Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 PolarHBondContact O-OG 3.44Å; S110-S114 WeakPolarHBondContact O-CB 3.5Å; S110-S114 PolarHBondContact O-N 3.07Å; S110-S114 VanDerWaalsContact O-N 3.07Å; S110-S114 PolarHBondContact O-OG 3.25Å
111L89.1Confident89.5Confident2 Ų235.1 Ų35.11%0.0118%0.176CC..Hα-helixtrans-63.5-52174.5-72.7168.9000111.3Y38 A45 T46 L50 L107 M108 E109 S114Y38-L111 HydrophobicContact CD1-CB 4.39Å; Y38-L111 HydrophobicContact CG-CB 4.43Å; A45-L111 HydrophobicContact CB-CD2 4.44Å; T46-L111 VanDerWaalsContact C-CD2 3.43Å; T46-L111 VanDerWaalsContact O-CD2 3.24Å; T46-L111 WeakPolarHBondContact O-CD2 3.36Å; L50-L111 HydrophobicContact CD1-CD2 4.2Å; L50-L111 HydrophobicContact CD2-CD2 4.16Å; L50-L111 HydrophobicContact CG-CD2 4.14Å; L107-L111 WeakPolarHBondContact O-CG 3.23Å; L107-L111 PolarHBondContact O-N 2.91Å; M108-L111 PolarHBondContact O-N 3.41Å; M108-L111 HydrophobicContact SD-CD1 4Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.23Å; L111-S114 PolarHBondContact O-N 3.07Å; L111-S114 PolarHBondContact O-OG 2.95Å
112I87.9Confident90.2Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-57.1-57.6178.9-71.2163.7000110.8Y38 M108 E109 S114 K115 F116 F187 F213 R217Y38-I112 HydrophobicContact CD1-CG1 4.26Å; Y38-I112 HydrophobicContact CD2-CG1 3.98Å; Y38-I112 HydrophobicContact CE1-CB 4.41Å; Y38-I112 HydrophobicContact CE1-CG1 3.94Å; Y38-I112 HydrophobicContact CE2-CD1 4.39Å; Y38-I112 HydrophobicContact CE2-CG1 3.65Å; Y38-I112 HydrophobicContact CG-CG1 4.29Å; M108-I112 WeakPolarHBondContact O-CB 3.46Å; M108-I112 WeakPolarHBondContact O-CD1 3.39Å; M108-I112 VanDerWaalsContact O-CG1 3.24Å; M108-I112 WeakPolarHBondContact O-CG1 3.22Å; M108-I112 PolarHBondContact O-N 2.96Å; E109-I112 PolarHBondContact O-N 2.7Å; I112-S114 PolarHBondContact O-N 2.85Å; I112-K115 PolarHBondContact O-N 3.39Å; I112-K115 VanDerWaalsContact O-N 3.08Å; I112-F116 HydrophobicContact CG2-CE2 3.6Å; I112-F116 HydrophobicContact CG2-CZ 4.08Å; I112-F187 HydrophobicContact CG2-CE2 3.87Å; I112-F187 HydrophobicContact CG2-CZ 3.76Å; I112-F213 HydrophobicContact CG2-CB 4.09Å; I112-F213 HydrophobicContact CG2-CD1 4.29Å; I112-F213 HydrophobicContact CG2-CG 4.22Å; I112-R217 HydrophobicContact CD1-CG 3.66Å
113I90.4Very high90.8Very high2 Ų233.5 Ų33.51%0.0116%0.164CC..Hα-helixtrans-70-18.6-173.8-158.4166000113.1E109 C124 L138 F213E109-I113 VanDerWaalsContact O-CG2 3.26Å; E109-I113 WeakPolarHBondContact O-CG2 3.39Å; E109-I113 PolarHBondContact O-N 3.3Å; I113-C124 HydrophobicContact CG2-CB 4.06Å; I113-C124 WeakPolarHBondContact O-CB 3.26Å; I113-L138 HydrophobicContact CD1-CD1 4.49Å; I113-L138 HydrophobicContact CD1-CD2 3.8Å; I113-L138 HydrophobicContact CG2-CD2 4.32Å; I113-F213 HydrophobicContact CD1-CD2 4Å; I113-F213 HydrophobicContact CD1-CE2 4.11Å; I113-F213 HydrophobicContact CG1-CD2 4.18Å; I113-F213 HydrophobicContact CG1-CE2 4.15Å
114S91.3Very high91.2Very high37 Ų3731.8 Ų31.826%0.25916%0.158SC..Hα-helixtrans-74.8-16.217274.40000115L50 S110 L111 I112L50-S114 WeakPolarHBondContact CD2-OG 3.36Å; S110-S114 WeakPolarHBondContact O-CB 3.5Å; S110-S114 PolarHBondContact O-N 3.07Å; S110-S114 VanDerWaalsContact O-N 3.07Å; S110-S114 PolarHBondContact O-OG 3.25Å; L111-S114 PolarHBondContact O-N 3.07Å; L111-S114 PolarHBondContact O-OG 2.95Å; I112-S114 PolarHBondContact O-N 2.85Å
115K89.2Confident91.9Very high61 Ų6129.3 Ų29.327%0.26515%0.145SC..Hα-helixtrans-89.6-17.7179.3-57.4-57.8126.6173.20113.5Y38 F40 A45 I112Y38-K115 HydrophobicContact CD1-CG 4.18Å; Y38-K115 HydrophobicContact CE1-CG 4.02Å; F40-K115 HydrophobicContact CB-CG 4.31Å; F40-K115 HydrophobicContact CD1-CB 3.7Å; F40-K115 HydrophobicContact CD1-CG 4.24Å; F40-K115 HydrophobicContact CE1-CB 3.99Å; F40-K115 HydrophobicContact CG-CB 4.13Å; F40-K115 HydrophobicContact CG-CG 4.4Å; A45-K115 HydrophobicContact CB-CD 3.94Å; A45-K115 VanDerWaalsContact CB-CE 3.47Å; I112-K115 PolarHBondContact O-N 3.39Å; I112-K115 VanDerWaalsContact O-N 3.08Å
116F91.5Very high92.6Very high11 Ų1128.3 Ų28.35%0.04814%0.14CC..  trans-85.2135.1-179.7-57.8-47.8000112.6F40 I112 I121 Y181 L182 F187 F213F40-F116 HydrophobicContact CE2-CD1 4.32Å; F40-F116 AromaticContact CE2-CE1 3.61Å; F40-F116 HydrophobicContact CE2-CE1 3.61Å; F40-F116 HydrophobicContact CE2-CZ 4.44Å; F40-F116 AromaticContact CZ-CD1 3.95Å; F40-F116 HydrophobicContact CZ-CD1 3.95Å; F40-F116 AromaticContact CZ-CE1 3.69Å; F40-F116 HydrophobicContact CZ-CE1 3.69Å; I112-F116 HydrophobicContact CG2-CE2 3.6Å; I112-F116 HydrophobicContact CG2-CZ 4.08Å; F116-I121 HydrophobicContact CB-CD1 4.14Å; F116-I121 HydrophobicContact CB-CG2 3.99Å; F116-I121 HydrophobicContact CD2-CG2 4.3Å; F116-I121 HydrophobicContact CG-CD1 4.16Å; F116-I121 HydrophobicContact CG-CG2 4.47Å; F116-Y181 HydrophobicContact CB-CE1 4.13Å; F116-Y181 AromaticContact CD1-CE1 3.8Å; F116-Y181 HydrophobicContact CD1-CE1 3.8Å; F116-Y181 HydrophobicContact CG-CE1 4.33Å; F116-L182 HydrophobicContact CD1-CD2 3.94Å; F116-L182 HydrophobicContact CE1-CD2 3.44Å; F116-L182 VanDerWaalsContact CE1-CD2 3.44Å; F116-L182 HydrophobicContact CE2-CD2 4.17Å; F116-L182 HydrophobicContact CG-CD2 4.47Å; F116-L182 HydrophobicContact CZ-CD2 3.58Å; F116-F187 HydrophobicContact CE1-CB 4.44Å; F116-F187 HydrophobicContact CE1-CD1 4.49Å; F116-F187 HydrophobicContact CE1-CD2 4.25Å; F116-F187 HydrophobicContact CE1-CG 4.15Å; F116-F187 HydrophobicContact CE2-CE1 4.35Å; F116-F187 HydrophobicContact CE2-CE2 4.44Å; F116-F187 HydrophobicContact CE2-CZ 4.17Å; F116-F187 HydrophobicContact CZ-CB 4.5Å; F116-F187 AromaticContact CZ-CD1 3.83Å; F116-F187 HydrophobicContact CZ-CD1 3.83Å; F116-F187 AromaticContact CZ-CD2 3.7Å; F116-F187 HydrophobicContact CZ-CD2 3.7Å; F116-F187 AromaticContact CZ-CE1 3.82Å; F116-F187 HydrophobicContact CZ-CE1 3.82Å; F116-F187 AromaticContact CZ-CE2 3.68Å; F116-F187 HydrophobicContact CZ-CE2 3.68Å; F116-F187 AromaticContact CZ-CG 3.74Å; F116-F187 HydrophobicContact CZ-CG 3.74Å; F116-F187 AromaticContact CZ-CZ 3.71Å; F116-F187 HydrophobicContact CZ-CZ 3.71Å; F116-F213 HydrophobicContact CD2-CD1 4.43Å; F116-F213 AromaticContact CD2-CE1 3.8Å; F116-F213 HydrophobicContact CD2-CE1 3.8Å; F116-F213 HydrophobicContact CD2-CE2 4.13Å; F116-F213 AromaticContact CD2-CZ 3.64Å; F116-F213 HydrophobicContact CD2-CZ 3.64Å; F116-F213 AromaticContact CE2-CD1 3.62Å; F116-F213 HydrophobicContact CE2-CD1 3.62Å; F116-F213 AromaticContact CE2-CE1 3.25Å; F116-F213 HydrophobicContact CE2-CE1 3.25Å; F116-F213 HydrophobicContact CE2-CE2 4.24Å; F116-F213 HydrophobicContact CE2-CG 4.24Å; F116-F213 AromaticContact CE2-CZ 3.61Å; F116-F213 HydrophobicContact CE2-CZ 3.61Å; F116-F213 HydrophobicContact CZ-CD1 4.35Å; F116-F213 AromaticContact CZ-CE1 3.97Å; F116-F213 HydrophobicContact CZ-CE1 3.97Å
117N92.2Very high93Very high135 Ų13528.3 Ų28.372%0.72214%0.14SC*.  trans-138.286172.4-17931.9000109.1Y181N117-Y181 PolarHBondContact N-OH 2.86Å
118H97.8Very high93.4Very high46 Ų4627.2 Ų27.221%0.21313%0.134CC..  trans-147.2142.7179.7-178.9-107.9000110.8N120 I121 K177 Y181H118-N120 PolarHBondContact ND1-N 3.32Å; H118-N120 PolarHBondContact O-N 3.23Å; H118-N120 VanDerWaalsContact O-N 3.15Å; H118-I121 HydrophobicContact CB-CD1 4.26Å; H118-I121 HydrophobicContact CB-CG1 4.37Å; H118-I121 PolarHBondContact O-N 3.1Å; H118-K177 VanDerWaalsContact CE1-C 3.49Å; H118-K177 PolarHBondContact CE1-O 3.25Å; H118-Y181 HydrophobicContact CB-CD1 3.61Å; H118-Y181 HydrophobicContact CB-CD2 3.93Å; H118-Y181 HydrophobicContact CB-CE1 3.79Å; H118-Y181 HydrophobicContact CB-CE2 4.11Å; H118-Y181 HydrophobicContact CB-CG 3.67Å; H118-Y181 AromaticContact CG-CG 3.76Å
119Q97.8Very high93.9Very high117 Ų11726.8 Ų26.855%0.54713%0.133SC..THydrogen-bonded Turntrans-59.9-28.7-173.751.2155.466.500114.5K209Q119-K209 VanDerWaalsContact O-CD 3.3Å; Q119-K209 WeakPolarHBondContact O-CD 3.33Å; Q119-K209 WeakPolarHBondContact O-CE 3.26Å; Q119-K209 PolarHBondContact O-NZ 3.06Å
120N98.7Very high94.1Very high0 Ų034.9 Ų34.90%017%0.171CC..THydrogen-bonded Turntrans-101.724.5177.8-56.5100.3000113.7H118 D174 K177 A208 K209 I210H118-N120 PolarHBondContact ND1-N 3.32Å; H118-N120 PolarHBondContact O-N 3.23Å; H118-N120 VanDerWaalsContact O-N 3.15Å; N120-D174 WeakPolarHBondContact CB-O 3.31Å; N120-D174 WeakPolarHBondContact ND2-CB 3.35Å; N120-D174 PolarHBondContact ND2-OD1 3.45Å; N120-D174 VanDerWaalsContact ND2-OD1 3.14Å; N120-K177 WeakPolarHBondContact OD1-CD 3.4Å; N120-A208 PolarHBondContact ND2-O 2.89Å; N120-K209 CarbonylContact O-C 3.55Å; N120-K209 VanDerWaalsContact O-CA 3.26Å; N120-K209 WeakPolarHBondContact O-CA 3.44Å; N120-I210 PolarHBondContact O-N 2.81Å
121I98.1Very high94.1Very high4 Ų436.5 Ų36.52%0.02118%0.184CC..BIsolated β-bridgetrans-123.2139.7166.3-66177.8000107.9F116 H118 R123 Y181 L182 I210 F213F116-I121 HydrophobicContact CB-CD1 4.14Å; F116-I121 HydrophobicContact CB-CG2 3.99Å; F116-I121 HydrophobicContact CD2-CG2 4.3Å; F116-I121 HydrophobicContact CG-CD1 4.16Å; F116-I121 HydrophobicContact CG-CG2 4.47Å; H118-I121 HydrophobicContact CB-CD1 4.26Å; H118-I121 HydrophobicContact CB-CG1 4.37Å; H118-I121 PolarHBondContact O-N 3.1Å; I121-R123 PolarHBondContact O-N 2.83Å; I121-Y181 HydrophobicContact CD1-CD1 3.55Å; I121-Y181 HydrophobicContact CD1-CE1 3.83Å; I121-L182 HydrophobicContact CD1-CD2 3.72Å; I121-L182 HydrophobicContact CD1-CG 4.13Å; I121-I210 HydrophobicContact CG1-CB 4.39Å; I121-F213 HydrophobicContact CD1-CZ 4.3Å; I121-F213 HydrophobicContact CG1-CZ 4.44Å; I121-F213 HydrophobicContact CG2-CE2 3.84Å; I121-F213 HydrophobicContact CG2-CZ 3.66Å
122V97.3Very high94.2Very high3 Ų339.6 Ų39.62%0.01820%0.199CC..PPolyproline II helixtrans-64.5121177173.40000109.5L138 E139 M141 L198 K209 I210V122-L138 HydrophobicContact CG1-CB 4.01Å; V122-L138 HydrophobicContact CG1-CD1 4.47Å; V122-E139 HydrophobicContact CG1-CB 4.24Å; V122-M141 HydrophobicContact CG2-CE 4.48Å; V122-M141 HydrophobicContact CG2-CG 3.82Å; V122-M141 HydrophobicContact CG2-SD 4.19Å; V122-L198 HydrophobicContact CG2-CD1 4.23Å; V122-K209 HydrophobicContact CG2-CB 3.94Å; V122-K209 HydrophobicContact CG2-CD 4.49Å; V122-I210 WeakPolarHBondContact CG2-O 3.37Å; V122-I210 PolarHBondContact N-O 3.08Å
123R95.7Very high94.4Very high86 Ų8642 Ų4233%0.32522%0.215SC..PPolyproline II helixtrans-74.1132.5-174.2-176172.267.4104.3-11.8112.2E83 I121 I125 L138 E139E83-R123 IonicContact OE1-CZ 3.5Å; E83-R123 IonicContact OE1-NH1 2.7Å; E83-R123 PolarHBondContact OE1-NH1 3.24Å; E83-R123 IonicContact OE1-NH2 3.39Å; E83-R123 PolarHBondContact OE1-NH2 3.26Å; E83-R123 IonicContact OE2-CZ 3.63Å; E83-R123 IonicContact OE2-NH1 3.61Å; E83-R123 IonicContact OE2-NH2 2.74Å; E83-R123 PolarHBondContact OE2-NH2 3.36Å; I121-R123 PolarHBondContact O-N 2.83Å; R123-I125 HydrophobicContact CG-CD1 4.44Å; R123-I125 VanDerWaalsContact CZ-CD1 3.4Å; R123-I125 PolarHBondContact O-N 2.96Å; R123-L138 WeakPolarHBondContact O-CA 3.44Å; R123-E139 HydrophobicContact CB-CB 4.22Å; R123-E139 PolarHBondContact N-OE2 3.38Å; R123-E139 PolarHBondContact O-N 3.2Å
124C96.2Very high94.6Very high23 Ų2343.8 Ų43.816%0.15522%0.222CC..EExtended strand (participates in β ladder)trans-72.6119.2163.6-167.60000110I113 L138I113-C124 HydrophobicContact CG2-CB 4.06Å; I113-C124 WeakPolarHBondContact O-CB 3.26Å; C124-L138 HydrophobicContact CB-CD2 4.5Å
125I96.8Very high94.9Very high4 Ų442.5 Ų42.52%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-83.7-34.5177.4-49.9-56.6000110.4K51 I80 L87 V89 R123 L137 E139K51-I125 WeakPolarHBondContact CD-O 3.16Å; I80-I125 HydrophobicContact CD1-CG2 3.76Å; L87-I125 HydrophobicContact CD2-CD1 4.19Å; L87-I125 HydrophobicContact CD2-CG1 4.35Å; L87-I125 HydrophobicContact CD2-CG2 3.63Å; V89-I125 HydrophobicContact CG1-CG1 4.06Å; V89-I125 HydrophobicContact CG1-CG2 4.33Å; R123-I125 HydrophobicContact CG-CD1 4.44Å; R123-I125 VanDerWaalsContact CZ-CD1 3.4Å; R123-I125 PolarHBondContact O-N 2.96Å; I125-L137 HydrophobicContact CB-CB 4Å; I125-L137 WeakPolarHBondContact CB-O 3.45Å; I125-L137 PolarHBondContact N-O 3.06Å; I125-E139 HydrophobicContact CD1-CB 4.49Å
126G96Very high95.2Very high2 Ų239.6 Ų39.62%0.02120%0.199CC..EExtended strand (participates in β ladder)trans160-168.8-176.800000111.3K51 L137K51-G126 CarbonylContact O-C 3.57Å; K51-G126 WeakPolarHBondContact O-CA 3.44Å; G126-L137 PolarHBondContact N-O 3.24Å; G126-L137 PolarHBondContact O-N 3.05Å
127V97.1Very high95.5Very high1 Ų139.1 Ų39.11%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-134.3167.6179.5-640000110.6L50 K51 E52 V53 L129 F135 I136L50-V127 HydrophobicContact CB-CG2 3.74Å; L50-V127 HydrophobicContact CD1-CG1 4.44Å; L50-V127 HydrophobicContact CD1-CG2 4.35Å; K51-V127 PolarHBondContact O-N 2.88Å; E52-V127 CarbonylContact C-O 3.52Å; E52-V127 WeakPolarHBondContact CA-O 3.4Å; V53-V127 PolarHBondContact N-O 2.9Å; V127-L129 HydrophobicContact CB-CD1 4.28Å; V127-L129 HydrophobicContact CB-CD2 4.18Å; V127-L129 HydrophobicContact CB-CG 3.87Å; V127-L129 HydrophobicContact CG2-CD1 3.87Å; V127-L129 HydrophobicContact CG2-CG 3.78Å; V127-F135 CarbonylContact C-O 3.59Å; V127-F135 WeakPolarHBondContact CA-O 3.3Å; V127-I136 HydrophobicContact CG1-CG1 4.32Å
128S97Very high95.7Very high1 Ų133.4 Ų33.41%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-138.787.6163.7-172.90000108.5E52 V53 R55 F135E52-S128 WeakPolarHBondContact OE1-CA 3.43Å; E52-S128 WeakPolarHBondContact OE2-CA 3.39Å; V53-S128 PolarHBondContact O-OG 2.89Å; R55-S128 PolarHBondContact NE-OG 3.18Å; R55-S128 PolarHBondContact NH2-O 3.15Å; R55-S128 PolarHBondContact NH2-OG 3.27Å; R55-S128 VanDerWaalsContact NH2-OG 3.15Å; S128-F135 PolarHBondContact N-O 3.4Å; S128-F135 PolarHBondContact O-N 3.43Å
129L94.4Very high95.7Very high24 Ų2433.5 Ų33.513%0.12617%0.167CC..  trans-98-20.8-172.8-55177.6000112.5V47 L50 E52 F106 L107 V127 A131 R134V47-L129 HydrophobicContact CG1-CD1 3.87Å; L50-L129 HydrophobicContact CD1-CD1 3.81Å; E52-L129 VanDerWaalsContact CD-N 3.35Å; E52-L129 PolarHBondContact OE1-N 2.85Å; E52-L129 PolarHBondContact OE2-N 2.96Å; F106-L129 HydrophobicContact CD1-CD2 4.47Å; F106-L129 HydrophobicContact CE1-CD2 4.11Å; L107-L129 HydrophobicContact CD2-CD1 3.67Å; L107-L129 HydrophobicContact CD2-CD2 4.27Å; V127-L129 HydrophobicContact CB-CD1 4.28Å; V127-L129 HydrophobicContact CB-CD2 4.18Å; V127-L129 HydrophobicContact CB-CG 3.87Å; V127-L129 HydrophobicContact CG2-CD1 3.87Å; V127-L129 HydrophobicContact CG2-CG 3.78Å; L129-A131 PolarHBondContact O-N 3.5Å; L129-R134 HydrophobicContact CD2-CB 4.18Å
130Q91.1Very high95.7Very high173 Ų17329.4 Ų29.481%0.80815%0.148SC*.SBendtrans-75.60.1-176.1-63.1-179.94.700114.2E52E52-Q130 HydrophobicContact CG-CG 4.2Å; E52-Q130 WeakPolarHBondContact OE1-CB 3.29Å; E52-Q130 WeakPolarHBondContact OE1-CG 3.11Å; E52-Q130 PolarHBondContact OE1-N 3.14Å; E52-Q130 VanDerWaalsContact OE1-N 3.08Å
131A90.9Very high95.6Very high34 Ų3430.1 Ų30.128%0.28115%0.152SC..SBendtrans-144147178.300000111.2R55 L129 P133R55-A131 HydrophobicContact CB-CB 4.39Å; R55-A131 HydrophobicContact CG-CB 4.42Å; R55-A131 PolarHBondContact NH2-O 3.15Å; L129-A131 PolarHBondContact O-N 3.5Å; A131-P133 CarbonylContact O-C 3.43Å
132M90.5Very high95.5Very high67 Ų6733.2 Ų33.233%0.3318%0.178SC..SBendtrans-88.8152175-57.3-52.1-72.200111.4R55 E96 R134R55-M132 PolarHBondContact NH1-O 2.87Å; E96-M132 HydrophobicContact CB-CB 4.38Å; E96-M132 HydrophobicContact CB-CE 4.42Å; E96-M132 HydrophobicContact CG-CB 4.19Å; E96-M132 HydrophobicContact CG-CG 4.39Å; M132-R134 HydrophobicContact CE-CG 4.04Å; M132-R134 HydrophobicContact SD-CG 3.56Å; M132-R134 VanDerWaalsContact SD-CG 3.56Å; M132-R134 PolarHBondContact SD-NE 3.06Å
133P93.1Very high95.5Very high52 Ų5233.1 Ų33.134%0.33818%0.178SC..SBendcis-57.2150.9-21.727.4-35.3000110.8R55 L94 A131 F135R55-P133 VanDerWaalsContact CZ-O 3.24Å; R55-P133 PolarHBondContact NH1-O 3.25Å; R55-P133 PolarHBondContact NH2-O 3.18Å; L94-P133 WeakPolarHBondContact O-CA 3.37Å; L94-P133 WeakPolarHBondContact O-CB 3.5Å; A131-P133 CarbonylContact O-C 3.43Å; P133-F135 HydrophobicContact CB-CE1 4.47Å; P133-F135 HydrophobicContact CG-CE1 3.86Å; P133-F135 HydrophobicContact CG-CZ 4.3Å
134R94.9Very high95.5Very high39 Ų3929.9 Ų29.915%0.14717%0.171CC..EExtended strand (participates in β ladder)trans-78.4148.1-178.7-54.1-173.7-171.2151.19.8110.4T93 L94 E103 F106 L129 M132T93-R134 WeakPolarHBondContact CA-O 3.32Å; L94-R134 HydrophobicContact CB-CB 4.19Å; L94-R134 PolarHBondContact N-O 3.43Å; L94-R134 PolarHBondContact O-N 3.39Å; L94-R134 VanDerWaalsContact O-N 3.15Å; E103-R134 VanDerWaalsContact CD-CZ 3.47Å; E103-R134 IonicContact OE1-CZ 3.41Å; E103-R134 IonicContact OE1-NH1 3.19Å; E103-R134 IonicContact OE1-NH2 2.85Å; E103-R134 PolarHBondContact OE1-NH2 2.81Å; E103-R134 IonicContact OE2-CZ 3.41Å; E103-R134 IonicContact OE2-NH1 2.72Å; E103-R134 PolarHBondContact OE2-NH1 2.89Å; E103-R134 IonicContact OE2-NH2 2.69Å; E103-R134 PolarHBondContact OE2-NH2 2.86Å; F106-R134 HydrophobicContact CD1-CB 4.43Å; F106-R134 HydrophobicContact CE1-CB 3.79Å; F106-R134 HydrophobicContact CZ-CB 4.45Å; F106-R134 WeakPolarHBondContact CZ-O 3.44Å; L129-R134 HydrophobicContact CD2-CB 4.18Å; M132-R134 HydrophobicContact CE-CG 4.04Å; M132-R134 HydrophobicContact SD-CG 3.56Å; M132-R134 VanDerWaalsContact SD-CG 3.56Å; M132-R134 PolarHBondContact SD-NE 3.06Å
135F96.8Very high95.4Very high10 Ų1028.9 Ų28.94%0.04416%0.164CC..EExtended strand (participates in β ladder)trans-123144.8-179-60.5-29.7000113.3I58 L60 V91 K92 T93 V127 S128 P133 L137I58-F135 HydrophobicContact CD1-CD2 4.12Å; I58-F135 HydrophobicContact CG2-CD2 4.32Å; I58-F135 HydrophobicContact CG2-CE2 4.36Å; L60-F135 HydrophobicContact CD1-CE1 4.46Å; L60-F135 HydrophobicContact CD1-CZ 4.07Å; L60-F135 HydrophobicContact CD2-CE2 4.39Å; L60-F135 HydrophobicContact CD2-CZ 4.2Å; L60-F135 HydrophobicContact CG-CZ 4.39Å; V91-F135 HydrophobicContact CG1-CB 3.69Å; V91-F135 HydrophobicContact CG1-CD1 3.73Å; V91-F135 HydrophobicContact CG1-CD2 3.86Å; V91-F135 HydrophobicContact CG1-CE1 4.3Å; V91-F135 HydrophobicContact CG1-CE2 4.4Å; V91-F135 HydrophobicContact CG1-CG 3.51Å; K92-F135 WeakPolarHBondContact O-CA 3.26Å; T93-F135 HydrophobicContact CG2-CD1 3.85Å; T93-F135 HydrophobicContact CG2-CE1 3.7Å; V127-F135 CarbonylContact C-O 3.59Å; V127-F135 WeakPolarHBondContact CA-O 3.3Å; S128-F135 PolarHBondContact N-O 3.4Å; S128-F135 PolarHBondContact O-N 3.43Å; P133-F135 HydrophobicContact CB-CE1 4.47Å; P133-F135 HydrophobicContact CG-CE1 3.86Å; P133-F135 HydrophobicContact CG-CZ 4.3Å; F135-L137 HydrophobicContact CB-CD1 4.19Å
136I96Very high95.5Very high0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-112131.1156.7-59.6164.5000107V91 K92 F106 E109 V127 L138V91-I136 WeakPolarHBondContact CA-O 3.36Å; K92-I136 HydrophobicContact CB-CB 4.41Å; K92-I136 PolarHBondContact N-O 2.97Å; K92-I136 PolarHBondContact O-N 3.15Å; F106-I136 HydrophobicContact CD1-CD1 4.21Å; F106-I136 HydrophobicContact CD1-CG1 4.37Å; F106-I136 HydrophobicContact CD2-CD1 4.09Å; F106-I136 HydrophobicContact CE1-CD1 4.01Å; F106-I136 HydrophobicContact CE1-CG1 3.74Å; F106-I136 HydrophobicContact CE2-CD1 3.89Å; F106-I136 HydrophobicContact CE2-CG1 4.17Å; F106-I136 HydrophobicContact CG-CD1 4.26Å; F106-I136 HydrophobicContact CZ-CB 4.42Å; F106-I136 HydrophobicContact CZ-CD1 3.86Å; F106-I136 HydrophobicContact CZ-CG1 3.64Å; E109-I136 HydrophobicContact CB-CD1 4.34Å; V127-I136 HydrophobicContact CG1-CG1 4.32Å; I136-L138 HydrophobicContact CG2-CD2 3.69Å; I136-L138 HydrophobicContact CG2-CG 4.08Å
137L97.4Very high95.6Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-103121.1179.6-65.379.6000108.7V53 I58 A77 V89 I125 G126 F135V53-L137 HydrophobicContact CB-CD2 4.4Å; V53-L137 HydrophobicContact CG1-CD2 4.34Å; V53-L137 HydrophobicContact CG2-CD2 4.32Å; I58-L137 HydrophobicContact CD1-CD1 4.01Å; I58-L137 HydrophobicContact CD1-CD2 4Å; I58-L137 HydrophobicContact CG1-CD2 4.14Å; I58-L137 HydrophobicContact CG2-CD2 4.47Å; A77-L137 HydrophobicContact CB-CD2 4.07Å; V89-L137 HydrophobicContact CG2-CD2 4.49Å; I125-L137 HydrophobicContact CB-CB 4Å; I125-L137 WeakPolarHBondContact CB-O 3.45Å; I125-L137 PolarHBondContact N-O 3.06Å; G126-L137 PolarHBondContact N-O 3.24Å; G126-L137 PolarHBondContact O-N 3.05Å; F135-L137 HydrophobicContact CB-CD1 4.19Å
138L96.9Very high95.5Very high15 Ų1532.8 Ų32.88%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-120.5158.1-176.2-58.7-179.2000110.8V89 A90 I113 V122 R123 C124 I136 L140V89-L138 CarbonylContact C-O 3.56Å; V89-L138 WeakPolarHBondContact CA-O 3.28Å; V89-L138 WeakPolarHBondContact CB-O 3.26Å; A90-L138 HydrophobicContact CB-CB 4.32Å; A90-L138 PolarHBondContact N-O 2.91Å; A90-L138 PolarHBondContact O-N 3.41Å; I113-L138 HydrophobicContact CD1-CD1 4.49Å; I113-L138 HydrophobicContact CD1-CD2 3.8Å; I113-L138 HydrophobicContact CG2-CD2 4.32Å; V122-L138 HydrophobicContact CG1-CB 4.01Å; V122-L138 HydrophobicContact CG1-CD1 4.47Å; R123-L138 WeakPolarHBondContact O-CA 3.44Å; C124-L138 HydrophobicContact CB-CD2 4.5Å; I136-L138 HydrophobicContact CG2-CD2 3.69Å; I136-L138 HydrophobicContact CG2-CG 4.08Å; L138-L140 PolarHBondContact O-N 3.43Å
139E97.1Very high95.5Very high49 Ų4932.9 Ų32.923%0.22918%0.184CC..EExtended strand (participates in β ladder)trans-54.4130.6167.7-179.5179.8-16600111.3V122 R123 I125 M141 K209V122-E139 HydrophobicContact CG1-CB 4.24Å; R123-E139 HydrophobicContact CB-CB 4.22Å; R123-E139 PolarHBondContact N-OE2 3.38Å; R123-E139 PolarHBondContact O-N 3.2Å; I125-E139 HydrophobicContact CD1-CB 4.49Å; E139-M141 HydrophobicContact CG-SD 4.31Å; E139-M141 PolarHBondContact O-N 2.85Å; E139-K209 IonicContact OE1-NZ 2.66Å; E139-K209 PolarHBondContact OE1-NZ 2.92Å; E139-K209 IonicContact OE2-NZ 3.89Å; E139-K209 PolarHBondContact OE2-NZ 2.8Å
140L97.4Very high95.6Very high31 Ų3131.8 Ų31.816%0.16218%0.178CC..  trans-76109.3-178.3-177.864.6000111.5L64 E74 Q88 A90 L138 A142L64-L140 HydrophobicContact CD1-CD1 3.92Å; E74-L140 HydrophobicContact CB-CD1 4.37Å; E74-L140 HydrophobicContact CG-CD1 4.32Å; E74-L140 HydrophobicContact CG-CD2 3.91Å; E74-L140 WeakPolarHBondContact OE1-CD2 3.45Å; Q88-L140 HydrophobicContact CB-CB 4.48Å; Q88-L140 HydrophobicContact CB-CD2 3.84Å; Q88-L140 HydrophobicContact CG-CD2 4.36Å; A90-L140 HydrophobicContact CB-CD1 4.16Å; L138-L140 PolarHBondContact O-N 3.43Å; L140-A142 PolarHBondContact O-N 2.86Å
141M97.6Very high95.8Very high15 Ų1529 Ų297%0.07416%0.16CC..  trans-9178.5178.8-61.2-60.3-71.900111.1V122 E139 G143 G144 L198 L199 T200 K209V122-M141 HydrophobicContact CG2-CE 4.48Å; V122-M141 HydrophobicContact CG2-CG 3.82Å; V122-M141 HydrophobicContact CG2-SD 4.19Å; E139-M141 HydrophobicContact CG-SD 4.31Å; E139-M141 PolarHBondContact O-N 2.85Å; M141-G143 PolarHBondContact O-N 2.95Å; M141-G143 VanDerWaalsContact O-N 3.1Å; M141-G144 PolarHBondContact O-N 2.88Å; M141-L198 HydrophobicContact CB-CB 3.69Å; M141-L198 HydrophobicContact CB-CD1 3.97Å; M141-L198 HydrophobicContact CB-CG 4.48Å; M141-L198 HydrophobicContact CE-CB 3.92Å; M141-L198 VanDerWaalsContact CE-O 3.31Å; M141-L198 WeakPolarHBondContact CE-O 3.45Å; M141-L198 HydrophobicContact CG-CB 3.79Å; M141-L198 HydrophobicContact CG-CD1 3.94Å; M141-L199 CarbonylContact C-O 3.59Å; M141-L199 VanDerWaalsContact C-O 3.27Å; M141-L199 VanDerWaalsContact CE-C 3.41Å; M141-T200 HydrophobicContact CE-CG2 3.9Å; M141-T200 HydrophobicContact SD-CG2 4.13Å; M141-K209 HydrophobicContact CE-CB 3.87Å; M141-K209 HydrophobicContact CE-CD 3.84Å; M141-K209 HydrophobicContact CE-CG 3.56Å; M141-K209 HydrophobicContact SD-CD 4Å; M141-K209 HydrophobicContact SD-CG 4.4Å
142A96.4Very high95.9Very high68 Ų6831.7 Ų31.756%0.56217%0.167SC*.THydrogen-bonded Turntrans-67.6-8.4-170.500000115.3L140 G144 T200L140-A142 PolarHBondContact O-N 2.86Å; A142-G144 VanDerWaalsContact C-N 3.32Å; A142-T200 PolarHBondContact N-O 2.95Å
143G96.1Very high95.9Very high2 Ų230 Ų302%0.02116%0.161CC..THydrogen-bonded Turntrans-74.5-19.4169.800000114.1M141 L199 T200 C201 K202M141-G143 PolarHBondContact O-N 2.95Å; M141-G143 VanDerWaalsContact O-N 3.1Å; G143-L199 VanDerWaalsContact CA-O 3.23Å; G143-L199 WeakPolarHBondContact CA-O 3.44Å; G143-L199 PolarHBondContact N-O 3.43Å; G143-T200 PolarHBondContact N-O 2.77Å; G143-C201 VanDerWaalsContact CA-C 3.48Å; G143-K202 WeakPolarHBondContact O-CE 3.41Å; G143-K202 WeakPolarHBondContact O-CG 3.25Å
144G95.3Very high95.9Very high18 Ų1828.8 Ų28.819%0.18615%0.149CC..EExtended strand (participates in β ladder)trans82.6-161.1-171.300000112.5M141 A142 L198 L199M141-G144 PolarHBondContact O-N 2.88Å; A142-G144 VanDerWaalsContact C-N 3.32Å; G144-L198 WeakPolarHBondContact O-CA 3.09Å; G144-L199 PolarHBondContact O-N 3.04Å
145D95.6Very high95.7Very high2 Ų227.7 Ų27.71%0.01115%0.147CC..EExtended strand (participates in β ladder)trans-85.8149177.673.786.6000111K147 T148 F149 C197 L198 W449D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 PolarHBondContact O-N 3.15Å; D145-K147 WeakPolarHBondContact OD1-CB 3.29Å; D145-K147 PolarHBondContact OD1-N 3.16Å; D145-T148 VanDerWaalsContact CG-OG1 3.25Å; D145-T148 PolarHBondContact O-N 3.36Å; D145-T148 WeakPolarHBondContact OD1-CB 3.49Å; D145-T148 PolarHBondContact OD1-N 3.3Å; D145-T148 PolarHBondContact OD1-OG1 2.74Å; D145-T148 VanDerWaalsContact OD1-OG1 3.05Å; D145-T148 VanDerWaalsContact OD2-CB 3.3Å; D145-T148 WeakPolarHBondContact OD2-CB 3.12Å; D145-T148 PolarHBondContact OD2-OG1 2.8Å; D145-F149 WeakPolarHBondContact O-CB 3.42Å; D145-F149 PolarHBondContact O-N 2.75Å; D145-C197 WeakPolarHBondContact CA-O 3.38Å; D145-L198 HydrophobicContact CB-CD2 3.78Å; D145-W449 PolarHBondContact OD2-N 3.4Å
146L98.2Very high95.3Very high1 Ų128.4 Ų28.41%0.00515%0.15CC..Hα-helixtrans-65.7-33.1-173.6173.760.5000112F149 L150 V171 A194 C197 L199 L260 I264L146-F149 HydrophobicContact CD1-CD1 4.25Å; L146-L150 HydrophobicContact CD1-CD1 3.8Å; L146-L150 HydrophobicContact CD1-CD2 4.38Å; L146-L150 HydrophobicContact CD1-CG 3.82Å; L146-L150 HydrophobicContact CG-CD1 3.82Å; L146-L150 HydrophobicContact CG-CG 4.31Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 WeakPolarHBondContact O-CD1 3.43Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; L146-L150 PolarHBondContact O-N 2.94Å; L146-V171 HydrophobicContact CD1-CG1 3.62Å; L146-V171 HydrophobicContact CD2-CG1 3.52Å; L146-V171 HydrophobicContact CG-CG1 4.23Å; L146-A194 WeakPolarHBondContact CB-O 2.97Å; L146-A194 HydrophobicContact CD2-CB 4.44Å; L146-A194 HydrophobicContact CG-CB 4.39Å; L146-C197 HydrophobicContact CB-CB 3.91Å; L146-C197 WeakPolarHBondContact CB-O 3.16Å; L146-C197 HydrophobicContact CD2-CB 3.85Å; L146-C197 PolarHBondContact N-O 2.95Å; L146-L199 HydrophobicContact CD1-CD1 4.04Å; L146-L199 HydrophobicContact CD1-CD2 4.49Å; L146-L199 HydrophobicContact CD1-CG 4.48Å; L146-L260 HydrophobicContact CD2-CD1 4.27Å; L146-I264 HydrophobicContact CD2-CD1 4.26Å; L146-I264 HydrophobicContact CD2-CG1 4.06Å
147K96.8Very high94.5Very high48 Ų4834.7 Ų34.721%0.20918%0.183CC..Hα-helixtrans-68-46179.9-175.1179.8176.3-175.90111.7D145 L150 R151 A194D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 PolarHBondContact O-N 3.15Å; D145-K147 WeakPolarHBondContact OD1-CB 3.29Å; D145-K147 PolarHBondContact OD1-N 3.16Å; K147-L150 PolarHBondContact O-N 2.76Å; K147-R151 PolarHBondContact O-N 3.1Å; K147-A194 HydrophobicContact CB-CB 3.94Å; K147-A194 PolarHBondContact N-O 2.6Å
148T95.8Very high93.8Very high39 Ų3940.3 Ų40.324%0.23921%0.212CC..Hα-helixtrans-62.4-48.3174.3-60.10000110.3D145 L150 R151 E152D145-T148 VanDerWaalsContact CG-OG1 3.25Å; D145-T148 PolarHBondContact O-N 3.36Å; D145-T148 WeakPolarHBondContact OD1-CB 3.49Å; D145-T148 PolarHBondContact OD1-N 3.3Å; D145-T148 PolarHBondContact OD1-OG1 2.74Å; D145-T148 VanDerWaalsContact OD1-OG1 3.05Å; D145-T148 VanDerWaalsContact OD2-CB 3.3Å; D145-T148 WeakPolarHBondContact OD2-CB 3.12Å; D145-T148 PolarHBondContact OD2-OG1 2.8Å; T148-L150 VanDerWaalsContact C-N 3.35Å; T148-L150 PolarHBondContact O-N 3.17Å; T148-R151 PolarHBondContact O-N 2.86Å; T148-R151 VanDerWaalsContact O-N 3.14Å; T148-E152 HydrophobicContact CG2-CG 4.28Å; T148-E152 WeakPolarHBondContact O-CG 3.16Å; T148-E152 PolarHBondContact O-N 3.14Å
149F96.8Very high93Very high3 Ų345 Ų451%0.01323%0.234CC..Hα-helixtrans-55.2-45.7176.4171.7-95.1000112.8D145 L146 R151 E152 T153 L163 L199 K202D145-F149 WeakPolarHBondContact O-CB 3.42Å; D145-F149 PolarHBondContact O-N 2.75Å; L146-F149 HydrophobicContact CD1-CD1 4.25Å; F149-R151 VanDerWaalsContact C-N 3.34Å; F149-R151 PolarHBondContact O-N 2.61Å; F149-E152 PolarHBondContact O-N 2.72Å; F149-T153 HydrophobicContact CD2-CG2 3.99Å; F149-T153 HydrophobicContact CE2-CG2 3.65Å; F149-T153 HydrophobicContact CZ-CG2 3.98Å; F149-T153 WeakPolarHBondContact O-CB 3.42Å; F149-T153 WeakPolarHBondContact O-CG2 3.23Å; F149-T153 PolarHBondContact O-N 3.36Å; F149-T153 PolarHBondContact O-OG1 2.86Å; F149-L163 HydrophobicContact CE1-CD1 3.92Å; F149-L163 HydrophobicContact CZ-CD1 4.03Å; F149-L199 HydrophobicContact CB-CD1 3.62Å; F149-L199 HydrophobicContact CD1-CD1 3.41Å; F149-L199 VanDerWaalsContact CD1-CD1 3.41Å; F149-L199 HydrophobicContact CD2-CD1 3.86Å; F149-L199 HydrophobicContact CE1-CD1 4.02Å; F149-L199 HydrophobicContact CE2-CD1 4.41Å; F149-L199 HydrophobicContact CG-CD1 3.32Å; F149-L199 HydrophobicContact CZ-CD1 4.49Å; F149-K202 HydrophobicContact CD2-CB 4.28Å; F149-K202 HydrophobicContact CD2-CG 4.19Å; F149-K202 HydrophobicContact CE2-CB 4.11Å; F149-K202 WeakPolarHBondContact CE2-O 3.47Å
150L96.8Very high92.1Very high1 Ų147.8 Ų47.81%0.00526%0.256CS..Hα-helixtrans-66.3-32.2179.1-73166.7000113.1L146 K147 T148 R154 L163 L168 I264 L267L146-L150 HydrophobicContact CD1-CD1 3.8Å; L146-L150 HydrophobicContact CD1-CD2 4.38Å; L146-L150 HydrophobicContact CD1-CG 3.82Å; L146-L150 HydrophobicContact CG-CD1 3.82Å; L146-L150 HydrophobicContact CG-CG 4.31Å; L146-L150 WeakPolarHBondContact O-CB 3.44Å; L146-L150 WeakPolarHBondContact O-CD1 3.43Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; L146-L150 PolarHBondContact O-N 2.94Å; K147-L150 PolarHBondContact O-N 2.76Å; T148-L150 VanDerWaalsContact C-N 3.35Å; T148-L150 PolarHBondContact O-N 3.17Å; L150-R154 VanDerWaalsContact O-CG 3.29Å; L150-R154 WeakPolarHBondContact O-CG 3.41Å; L150-L163 HydrophobicContact CD2-CD2 4.33Å; L150-L168 HydrophobicContact CD2-CD2 3.72Å; L150-I264 HydrophobicContact CD1-CG1 4.39Å; L150-L267 HydrophobicContact CD2-CD2 4.31Å
151R95Very high91.4Very high114 Ų11448 Ų4843%0.4326%0.26SS..Hα-helixtrans-71.6-44.3173.1-73.6178.775.3-169.75.3111.9K147 T148 F149 T153 E350K147-R151 PolarHBondContact O-N 3.1Å; T148-R151 PolarHBondContact O-N 2.86Å; T148-R151 VanDerWaalsContact O-N 3.14Å; F149-R151 VanDerWaalsContact C-N 3.34Å; F149-R151 PolarHBondContact O-N 2.61Å; R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 3.42Å; R151-E350 IonicContact CZ-OE2 3.85Å; R151-E350 IonicContact NH1-OE2 3.73Å; R151-E350 IonicContact NH2-OE2 2.96Å; R151-E350 PolarHBondContact NH2-OE2 3.01Å
152E92.9Very high90.8Very high92 Ų9252 Ų5243%0.4329%0.29SS..Hα-helixtrans-66.3-32.2178.7-72.1176.2160.100113.1T148 F149 K202T148-E152 HydrophobicContact CG2-CG 4.28Å; T148-E152 WeakPolarHBondContact O-CG 3.16Å; T148-E152 PolarHBondContact O-N 3.14Å; F149-E152 PolarHBondContact O-N 2.72Å; E152-K202 IonicContact OE1-NZ 2.84Å; E152-K202 PolarHBondContact OE1-NZ 2.98Å; E152-K202 IonicContact OE2-NZ 2.79Å; E152-K202 PolarHBondContact OE2-NZ 3.31Å
153T92.3Very high90.6Very high31 Ų3149.3 Ų49.319%0.1927%0.266CS..THydrogen-bonded Turntrans-103.520.8-17360.50000114.5F149 R151 S161F149-T153 HydrophobicContact CD2-CG2 3.99Å; F149-T153 HydrophobicContact CE2-CG2 3.65Å; F149-T153 HydrophobicContact CZ-CG2 3.98Å; F149-T153 WeakPolarHBondContact O-CB 3.42Å; F149-T153 WeakPolarHBondContact O-CG2 3.23Å; F149-T153 PolarHBondContact O-N 3.36Å; F149-T153 PolarHBondContact O-OG1 2.86Å; R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 3.42Å; T153-S161 VanDerWaalsContact O-CB 3.23Å; T153-S161 WeakPolarHBondContact O-CB 3.24Å; T153-S161 PolarHBondContact O-OG 3.37Å
154R92.4Very high90.6Very high27 Ų2752.2 Ų52.210%0.10228%0.283CS..  trans-61.7137171.4-66.9-174.3178.9176.60.4111.1L150 R156 L267 G268 Y269 E342L150-R154 VanDerWaalsContact O-CG 3.29Å; L150-R154 WeakPolarHBondContact O-CG 3.41Å; R154-R156 PolarHBondContact O-N 3.27Å; R154-L267 HydrophobicContact CG-CB 3.96Å; R154-L267 HydrophobicContact CG-CD1 4.25Å; R154-L267 VanDerWaalsContact CZ-O 3.26Å; R154-L267 PolarHBondContact NE-O 3.5Å; R154-L267 PolarHBondContact NH2-O 2.98Å; R154-G268 PolarHBondContact NH2-O 2.75Å; R154-Y269 VanDerWaalsContact CZ-CE2 3.46Å; R154-Y269 VanDerWaalsContact NH1-CE2 3.29Å; R154-E342 VanDerWaalsContact CD-OE1 3.24Å; R154-E342 WeakPolarHBondContact CD-OE1 3.48Å; R154-E342 IonicContact CZ-OE1 3.58Å; R154-E342 IonicContact NE-OE1 3.78Å; R154-E342 IonicContact NH1-OE1 2.68Å; R154-E342 PolarHBondContact NH1-OE1 3.45Å
155P89.9Confident90.7Very high15 Ų1551.6 Ų51.610%0.09728%0.276CS..  trans-64.4124.5170.1-1325.2000110.7L339 V341 E342P155-L339 HydrophobicContact CG-CB 3.86Å; P155-L339 HydrophobicContact CG-CD1 4.41Å; P155-V341 HydrophobicContact CB-CG2 4.33Å; P155-V341 WeakPolarHBondContact O-CA 3.04Å; P155-E342 PolarHBondContact O-N 3.36Å
156R87.9Confident90.8Very high26 Ų2654.1 Ų54.110%0.09829%0.291CS..  trans-114.6169.5171-51.1-175.7177.6-66.9-21.6109.9R154 D158 Q159 E342R154-R156 PolarHBondContact O-N 3.27Å; R156-D158 WeakPolarHBondContact CB-OD1 3.44Å; R156-Q159 HydrophobicContact CB-CB 4.09Å; R156-Q159 HydrophobicContact CG-CB 4.45Å; R156-Q159 PolarHBondContact N-O 2.97Å; R156-Q159 CarbonylContact O-C 3.42Å; R156-E342 IonicContact CZ-OE2 3.16Å; R156-E342 IonicContact NH1-OE2 2.72Å; R156-E342 PolarHBondContact NH1-OE2 3.19Å; R156-E342 IonicContact NH2-OE2 2.77Å; R156-E342 PolarHBondContact NH2-OE2 3Å
157L81Confident90.8Very high132 Ų13255.7 Ų55.769%0.69130%0.3SS*.SBendtrans-72.9-36.5178.4-72.3169.9000112.7V341 Y343L157-V341 HydrophobicContact CD2-CG1 4.17Å; L157-V341 HydrophobicContact CG-CG1 4.13Å; L157-Y343 HydrophobicContact CD1-CD1 4Å; L157-Y343 HydrophobicContact CD1-CE1 4.1Å; L157-Y343 HydrophobicContact CD2-CE1 4.48Å
158D81.9Confident90.9Very high117 Ų11753.5 Ų53.563%0.62629%0.29SS*.SBendtrans-85.6-34.6175.358.7-25.5000112.3R156 P160R156-D158 WeakPolarHBondContact CB-OD1 3.44Å; D158-P160 WeakPolarHBondContact O-CD 3.35Å
159Q80.3Confident91.1Very high114 Ų11451.7 Ų51.753%0.53328%0.279SS..SBendtrans-117.482.8179.7-165.2176.734.100111.3R156 S161R156-Q159 HydrophobicContact CB-CB 4.09Å; R156-Q159 HydrophobicContact CG-CB 4.45Å; R156-Q159 PolarHBondContact N-O 2.97Å; R156-Q159 CarbonylContact O-C 3.42Å; Q159-S161 PolarHBondContact O-N 3Å
160P78.3Confident91.2Very high107 Ų10753.8 Ų53.870%0.69529%0.29SS*.  trans-64128.8174.126.6-34000110.2D158D158-P160 WeakPolarHBondContact O-CD 3.35Å
161S83.1Confident91.3Very high35 Ų3554.1 Ų54.125%0.24529%0.292CS..  trans-80.9147.3-179.8-171.40000111.8T153 Q159 L163T153-S161 VanDerWaalsContact O-CB 3.23Å; T153-S161 WeakPolarHBondContact O-CB 3.24Å; T153-S161 PolarHBondContact O-OG 3.37Å; Q159-S161 PolarHBondContact O-N 3Å; S161-L163 VanDerWaalsContact C-N 3.26Å; S161-L163 VanDerWaalsContact OG-CB 3.28Å; S161-L163 WeakPolarHBondContact OG-CB 3.43Å; S161-L163 PolarHBondContact OG-N 3.12Å; S161-L163 VanDerWaalsContact OG-N 3.12Å
162S84.6Confident91.4Very high101 Ų10148.7 Ų48.771%0.70627%0.272SS*.  trans-84-0.716852.20000113.1
163L92.9Very high91.7Very high10 Ų1047.5 Ų47.55%0.05226%0.264CS..  trans-75.8133177.9-163.272.2000110.8F149 L150 S161 D167 L168 L267 L339F149-L163 HydrophobicContact CE1-CD1 3.92Å; F149-L163 HydrophobicContact CZ-CD1 4.03Å; L150-L163 HydrophobicContact CD2-CD2 4.33Å; S161-L163 VanDerWaalsContact C-N 3.26Å; S161-L163 VanDerWaalsContact OG-CB 3.28Å; S161-L163 WeakPolarHBondContact OG-CB 3.43Å; S161-L163 PolarHBondContact OG-N 3.12Å; S161-L163 VanDerWaalsContact OG-N 3.12Å; L163-D167 HydrophobicContact CD1-CB 3.53Å; L163-D167 HydrophobicContact CG-CB 4.25Å; L163-L168 HydrophobicContact CD2-CD2 3.83Å; L163-L168 HydrophobicContact CG-CD2 4.29Å; L163-L267 HydrophobicContact CD2-CD2 4.03Å; L163-L339 HydrophobicContact CB-CD1 4.03Å; L163-L339 HydrophobicContact CD2-CD1 4.07Å; L163-L339 HydrophobicContact CG-CD1 4Å; L163-L339 WeakPolarHBondContact O-CD1 3.49Å
164T95.7Very high92Very high63 Ų6346.7 Ų46.739%0.38726%0.258SS..  trans-119.5169.8179.870.80000111.7V166 D167 L168T164-V166 PolarHBondContact O-N 3.41Å; T164-V166 PolarHBondContact OG1-N 2.84Å; T164-D167 WeakPolarHBondContact CB-OD2 3.43Å; T164-D167 PolarHBondContact N-OD2 2.85Å; T164-D167 WeakPolarHBondContact O-CB 3.45Å; T164-D167 PolarHBondContact O-N 3.06Å; T164-D167 VanDerWaalsContact O-N 3.12Å; T164-D167 PolarHBondContact OG1-N 3.45Å; T164-D167 PolarHBondContact OG1-OD2 3.21Å; T164-L168 PolarHBondContact O-N 3.21Å
165M97.4Very high92.4Very high5 Ų545.4 Ų45.43%0.02525%0.253CS..Hα-helixtrans-61.7-29.1172.3-15865.677.100112.1L168 L169 F265 P297 V334 M337 L339M165-L168 PolarHBondContact O-N 3.01Å; M165-L168 HydrophobicContact SD-CD1 4.1Å; M165-L169 WeakPolarHBondContact O-CB 3.45Å; M165-L169 WeakPolarHBondContact O-CG 3.35Å; M165-L169 PolarHBondContact O-N 3.27Å; M165-F265 HydrophobicContact CG-CE1 4.31Å; M165-F265 HydrophobicContact SD-CD1 3.61Å; M165-F265 HydrophobicContact SD-CE1 3.47Å; M165-F265 WeakPolarHBondContact SD-CE1 3.38Å; M165-P297 HydrophobicContact CE-CG 3.92Å; M165-P297 HydrophobicContact CG-CG 4.27Å; M165-P297 HydrophobicContact SD-CG 4.18Å; M165-V334 WeakPolarHBondContact CG-O 3.28Å; M165-M337 HydrophobicContact CE-CB 3.83Å; M165-M337 HydrophobicContact CE-CG 3.82Å; M165-M337 WeakPolarHBondContact CE-O 3.43Å; M165-L339 HydrophobicContact CE-CD2 3.74Å; M165-L339 HydrophobicContact SD-CD2 3.89Å
166V98Very high92.8Very high56 Ų5644.7 Ų44.734%0.33925%0.248SC..Hα-helixtrans-66.9-36.7174.2178.60000111.7T164 N170 L329 V335T164-V166 PolarHBondContact O-N 3.41Å; T164-V166 PolarHBondContact OG1-N 2.84Å; V166-N170 WeakPolarHBondContact CG1-ND2 3.35Å; V166-N170 WeakPolarHBondContact O-CB 3.49Å; V166-N170 PolarHBondContact O-N 2.97Å; V166-N170 PolarHBondContact O-ND2 3.46Å; V166-L329 HydrophobicContact CG1-CD2 4.14Å; V166-V335 HydrophobicContact CG2-CB 3.7Å; V166-V335 HydrophobicContact CG2-CG1 3.95Å
167D98Very high93.3Very high34 Ų3445.6 Ų45.618%0.18225%0.253CS..Hα-helixtrans-64.9-45.3174.4-63.3-86.6000111.2L163 T164 N170 V171 R206L163-D167 HydrophobicContact CD1-CB 3.53Å; L163-D167 HydrophobicContact CG-CB 4.25Å; T164-D167 WeakPolarHBondContact CB-OD2 3.43Å; T164-D167 PolarHBondContact N-OD2 2.85Å; T164-D167 WeakPolarHBondContact O-CB 3.45Å; T164-D167 PolarHBondContact O-N 3.06Å; T164-D167 VanDerWaalsContact O-N 3.12Å; T164-D167 PolarHBondContact OG1-N 3.45Å; T164-D167 PolarHBondContact OG1-OD2 3.21Å; D167-N170 PolarHBondContact O-N 3.43Å; D167-V171 WeakPolarHBondContact O-CG2 3.47Å; D167-V171 PolarHBondContact O-N 3.28Å; D167-R206 IonicContact OD1-CZ 3.55Å; D167-R206 IonicContact OD1-NH1 2.74Å; D167-R206 PolarHBondContact OD1-NH1 2.77Å
168L98.6Very high94.1Very high2 Ų239.3 Ų39.31%0.0122%0.22CC..Hα-helixtrans-61.8-45178-62.3-172.7000112L150 L163 T164 M165 V171 A172 I264 F265 L267 L339L150-L168 HydrophobicContact CD2-CD2 3.72Å; L163-L168 HydrophobicContact CD2-CD2 3.83Å; L163-L168 HydrophobicContact CG-CD2 4.29Å; T164-L168 PolarHBondContact O-N 3.21Å; M165-L168 PolarHBondContact O-N 3.01Å; M165-L168 HydrophobicContact SD-CD1 4.1Å; L168-V171 PolarHBondContact O-N 3.25Å; L168-A172 WeakPolarHBondContact O-CB 3.38Å; L168-A172 PolarHBondContact O-N 3.48Å; L168-I264 HydrophobicContact CB-CG2 3.85Å; L168-I264 HydrophobicContact CD2-CG2 3.94Å; L168-I264 HydrophobicContact CG-CG2 4.36Å; L168-F265 HydrophobicContact CB-CD1 4.36Å; L168-F265 HydrophobicContact CB-CE1 3.88Å; L168-F265 HydrophobicContact CB-CE2 4.4Å; L168-F265 HydrophobicContact CB-CZ 3.9Å; L168-F265 HydrophobicContact CD1-CD1 4.02Å; L168-F265 HydrophobicContact CD1-CE1 4.29Å; L168-F265 HydrophobicContact CD1-CG 4.47Å; L168-L267 HydrophobicContact CD1-CD2 3.9Å; L168-L267 HydrophobicContact CD2-CD2 3.97Å; L168-L339 HydrophobicContact CD1-CD1 4.46Å; L168-L339 HydrophobicContact CD1-CD2 3.53Å; L168-L339 HydrophobicContact CG-CD2 4.37Å
169L98.8Very high94.9Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-62.1-41.4175.7-77.6165.7000112.2M165 A172 R173 F265 V300 L325 C328 L329 V334 V335M165-L169 WeakPolarHBondContact O-CB 3.45Å; M165-L169 WeakPolarHBondContact O-CG 3.35Å; M165-L169 PolarHBondContact O-N 3.27Å; L169-A172 PolarHBondContact O-N 3.47Å; L169-R173 WeakPolarHBondContact O-CB 3.21Å; L169-R173 PolarHBondContact O-N 3.13Å; L169-F265 HydrophobicContact CD2-CE1 4.46Å; L169-F265 HydrophobicContact CD2-CZ 3.84Å; L169-F265 HydrophobicContact CG-CE1 4.35Å; L169-F265 HydrophobicContact CG-CZ 3.95Å; L169-V300 HydrophobicContact CD2-CG2 4.06Å; L169-L325 HydrophobicContact CD2-CD2 4.14Å; L169-C328 HydrophobicContact CD1-CB 4.36Å; L169-C328 WeakPolarHBondContact CD1-O 3.08Å; L169-C328 HydrophobicContact CD2-CB 3.6Å; L169-L329 HydrophobicContact CB-CD2 3.53Å; L169-L329 HydrophobicContact CB-CG 3.87Å; L169-L329 HydrophobicContact CD1-CD2 3.91Å; L169-L329 HydrophobicContact CD1-CG 4.19Å; L169-L329 HydrophobicContact CG-CD2 4.35Å; L169-V334 HydrophobicContact CD1-CG1 4.03Å; L169-V335 HydrophobicContact CD1-CG1 4.07Å
170N98.8Very high95.8Very high48 Ų4830.6 Ų30.626%0.25718%0.176SC..Hα-helixtrans-68.1-40.2177.4-82-65.2000112.6V166 D167 R173 D174V166-N170 WeakPolarHBondContact CG1-ND2 3.35Å; V166-N170 WeakPolarHBondContact O-CB 3.49Å; V166-N170 PolarHBondContact O-N 2.97Å; V166-N170 PolarHBondContact O-ND2 3.46Å; D167-N170 PolarHBondContact O-N 3.43Å; N170-R173 PolarHBondContact O-N 3.21Å; N170-R173 PolarHBondContact OD1-NH1 2.74Å; N170-D174 VanDerWaalsContact O-CB 3.32Å; N170-D174 WeakPolarHBondContact O-CB 3.49Å; N170-D174 PolarHBondContact O-N 3Å
171V98.8Very high96.8Very high7 Ų727.3 Ų27.34%0.04215%0.15CC..Hα-helixtrans-60.5-46.1172.8166.80000111.3L146 D167 L168 D174 I175 L199 A208 I264L146-V171 HydrophobicContact CD1-CG1 3.62Å; L146-V171 HydrophobicContact CD2-CG1 3.52Å; L146-V171 HydrophobicContact CG-CG1 4.23Å; D167-V171 WeakPolarHBondContact O-CG2 3.47Å; D167-V171 PolarHBondContact O-N 3.28Å; L168-V171 PolarHBondContact O-N 3.25Å; V171-D174 PolarHBondContact O-N 3.2Å; V171-I175 PolarHBondContact O-N 2.85Å; V171-I175 VanDerWaalsContact O-N 3.15Å; V171-L199 HydrophobicContact CG2-CD2 4.2Å; V171-A208 HydrophobicContact CB-CB 4.42Å; V171-A208 HydrophobicContact CG1-CB 4Å; V171-A208 HydrophobicContact CG2-CB 4.46Å; V171-I264 HydrophobicContact CG1-CD1 4.02Å; V171-I264 HydrophobicContact CG1-CG1 4.4Å
172A98.9Very high97.3Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-60.6-4717700000112L168 L169 D174 I175 A176 F257 L261 I264 F265 L325L168-A172 WeakPolarHBondContact O-CB 3.38Å; L168-A172 PolarHBondContact O-N 3.48Å; L169-A172 PolarHBondContact O-N 3.47Å; A172-D174 PolarHBondContact O-N 3.14Å; A172-I175 PolarHBondContact O-N 2.92Å; A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 3.23Å; A172-F257 WeakPolarHBondContact O-CE2 3.47Å; A172-F257 WeakPolarHBondContact O-CZ 3.42Å; A172-L261 HydrophobicContact CB-CD2 3.55Å; A172-I264 HydrophobicContact CB-CD1 4.02Å; A172-F265 HydrophobicContact CB-CE2 4.28Å; A172-L325 HydrophobicContact CB-CD1 4.34Å; A172-L325 HydrophobicContact CB-CD2 4.2Å
173R98.9Very high97.8Very high68 Ų6822.2 Ų22.226%0.25711%0.111SC..Hα-helixtrans-63.2-37.3178171.3178.4174.5-115.47.2112.9L169 N170 A176 K177 L322 L325 D326L169-R173 WeakPolarHBondContact O-CB 3.21Å; L169-R173 PolarHBondContact O-N 3.13Å; N170-R173 PolarHBondContact O-N 3.21Å; N170-R173 PolarHBondContact OD1-NH1 2.74Å; R173-A176 PolarHBondContact O-N 2.65Å; R173-K177 WeakPolarHBondContact O-CG 3.39Å; R173-K177 PolarHBondContact O-N 3.06Å; R173-L322 HydrophobicContact CG-CD2 4.36Å; R173-L325 HydrophobicContact CB-CB 4.43Å; R173-L325 HydrophobicContact CB-CD1 4.37Å; R173-D326 WeakPolarHBondContact CD-OD1 3.34Å; R173-D326 IonicContact CZ-OD1 3.64Å; R173-D326 IonicContact NE-OD1 2.62Å; R173-D326 PolarHBondContact NE-OD1 3.28Å; R173-D326 IonicContact NH2-OD1 2.77Å; R173-D326 PolarHBondContact NH2-OD1 2.78Å
174D98.9Very high97.9Very high13 Ų1328 Ų287%0.0714%0.138CC..Hα-helixtrans-64.6-49174.8-92.8-7.4000112.1N120 N170 V171 A172 A176 K177 G178 V207 A208N120-D174 WeakPolarHBondContact CB-O 3.31Å; N120-D174 WeakPolarHBondContact ND2-CB 3.35Å; N120-D174 PolarHBondContact ND2-OD1 3.45Å; N120-D174 VanDerWaalsContact ND2-OD1 3.14Å; N170-D174 VanDerWaalsContact O-CB 3.32Å; N170-D174 WeakPolarHBondContact O-CB 3.49Å; N170-D174 PolarHBondContact O-N 3Å; V171-D174 PolarHBondContact O-N 3.2Å; A172-D174 PolarHBondContact O-N 3.14Å; D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.14Å; D174-K177 PolarHBondContact O-N 3.25Å; D174-K177 IonicContact OD1-NZ 2.67Å; D174-K177 PolarHBondContact OD1-NZ 3.24Å; D174-G178 PolarHBondContact O-N 3.31Å; D174-V207 WeakPolarHBondContact OD2-CA 3.38Å; D174-V207 WeakPolarHBondContact OD2-CG1 2.91Å; D174-A208 HydrophobicContact CB-CB 3.88Å; D174-A208 PolarHBondContact OD2-N 3.4Å; D174-A208 VanDerWaalsContact OD2-N 3.07Å
175I98.9Very high97.7Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-65.6-35.6175.2-57.3-59.1000111.2V171 A172 K177 G178 C179 C197 A208 K209 I210 F257 L260V171-I175 PolarHBondContact O-N 2.85Å; V171-I175 VanDerWaalsContact O-N 3.15Å; A172-I175 PolarHBondContact O-N 2.92Å; I175-K177 VanDerWaalsContact C-N 3.33Å; I175-K177 PolarHBondContact O-N 3.04Å; I175-G178 CarbonylContact O-C 3.52Å; I175-G178 WeakPolarHBondContact O-CA 3.38Å; I175-G178 PolarHBondContact O-N 3.29Å; I175-C179 PolarHBondContact O-N 3Å; I175-C179 PolarHBondContact O-SG 3.32Å; I175-C179 VanDerWaalsContact O-SG 3.38Å; I175-C197 HydrophobicContact CD1-CB 3.91Å; I175-C197 HydrophobicContact CG1-CB 4.32Å; I175-A208 HydrophobicContact CD1-CB 3.81Å; I175-A208 HydrophobicContact CG1-CB 3.98Å; I175-K209 VanDerWaalsContact CD1-C 3.49Å; I175-I210 HydrophobicContact CD1-CG1 4.25Å; I175-I210 HydrophobicContact CG2-CD1 4.43Å; I175-I210 HydrophobicContact CG2-CG1 4.08Å; I175-F257 HydrophobicContact CB-CE2 4.3Å; I175-F257 HydrophobicContact CG2-CD2 4.38Å; I175-F257 HydrophobicContact CG2-CE2 4.26Å; I175-L260 HydrophobicContact CB-CD2 4.08Å; I175-L260 HydrophobicContact CG1-CD2 4.39Å; I175-L260 HydrophobicContact CG2-CD2 3.55Å
176A98.9Very high97.3Very high0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-59.8-38.6174.700000113A172 R173 D174 G178 C179 H180 F257 I321 L322 L325A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 3.23Å; R173-A176 PolarHBondContact O-N 2.65Å; D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.14Å; A176-G178 VanDerWaalsContact C-N 3.35Å; A176-C179 PolarHBondContact O-N 3.12Å; A176-H180 WeakPolarHBondContact O-CB 3.38Å; A176-H180 PolarHBondContact O-N 2.98Å; A176-F257 HydrophobicContact CB-CE1 4.48Å; A176-F257 HydrophobicContact CB-CE2 3.91Å; A176-F257 HydrophobicContact CB-CZ 3.72Å; A176-I321 HydrophobicContact CB-CG2 4.2Å; A176-L322 HydrophobicContact CB-CD2 3.62Å; A176-L322 HydrophobicContact CB-CG 4.06Å; A176-L325 HydrophobicContact CB-CD1 3.9Å
177K98.9Very high96.8Very high46 Ų4632.7 Ų32.720%0.215%0.153CC..Hα-helixtrans-63.9-41.4171.4-63.2161.4-163158.20111.2H118 N120 R173 D174 I175 H180 Y181 L322H118-K177 VanDerWaalsContact CE1-C 3.49Å; H118-K177 PolarHBondContact CE1-O 3.25Å; N120-K177 WeakPolarHBondContact OD1-CD 3.4Å; R173-K177 WeakPolarHBondContact O-CG 3.39Å; R173-K177 PolarHBondContact O-N 3.06Å; D174-K177 PolarHBondContact O-N 3.25Å; D174-K177 IonicContact OD1-NZ 2.67Å; D174-K177 PolarHBondContact OD1-NZ 3.24Å; I175-K177 VanDerWaalsContact C-N 3.33Å; I175-K177 PolarHBondContact O-N 3.04Å; K177-H180 PolarHBondContact O-N 2.6Å; K177-Y181 PolarHBondContact O-N 2.8Å; K177-L322 HydrophobicContact CG-CD1 4.41Å; K177-L322 HydrophobicContact CG-CD2 3.77Å
178G98.7Very high96.4Very high0 Ų032.6 Ų32.60%015%0.152CC..Hα-helixtrans-56.4-50.9174.200000111.9D174 I175 A176 Y181 L182D174-G178 PolarHBondContact O-N 3.31Å; I175-G178 CarbonylContact O-C 3.52Å; I175-G178 WeakPolarHBondContact O-CA 3.38Å; I175-G178 PolarHBondContact O-N 3.29Å; A176-G178 VanDerWaalsContact C-N 3.35Å; G178-Y181 PolarHBondContact O-N 3.14Å; G178-L182 WeakPolarHBondContact O-CG 3.48Å; G178-L182 PolarHBondContact O-N 3.16Å
179C98.6Very high96.2Very high3 Ų332.6 Ų32.62%0.0215%0.152CC..Hα-helixtrans-65.8-36.8176.9-620000113.1I175 A176 L182 E183 I192 F318I175-C179 PolarHBondContact O-N 3Å; I175-C179 PolarHBondContact O-SG 3.32Å; I175-C179 VanDerWaalsContact O-SG 3.38Å; A176-C179 PolarHBondContact O-N 3.12Å; C179-L182 PolarHBondContact O-N 2.99Å; C179-E183 WeakPolarHBondContact O-CB 3.5Å; C179-E183 PolarHBondContact O-N 2.66Å; C179-I192 VanDerWaalsContact SG-CD1 3.59Å; C179-F318 HydrophobicContact CB-CD1 3.44Å; C179-F318 VanDerWaalsContact CB-CD1 3.44Å; C179-F318 HydrophobicContact CB-CD2 3.92Å; C179-F318 HydrophobicContact CB-CE1 3.24Å; C179-F318 HydrophobicContact CB-CE2 3.74Å; C179-F318 HydrophobicContact CB-CG 3.78Å; C179-F318 HydrophobicContact CB-CZ 3.4Å
180H98.7Very high95.8Very high44 Ų4434.3 Ų34.320%0.20416%0.159CC..Hα-helixtrans-60.6-45.9175.4-173.418.1000111.7A176 K177 L182 E183 E184 F318 L322A176-H180 WeakPolarHBondContact O-CB 3.38Å; A176-H180 PolarHBondContact O-N 2.98Å; K177-H180 PolarHBondContact O-N 2.6Å; H180-L182 VanDerWaalsContact C-N 3.31Å; H180-L182 PolarHBondContact O-N 3.41Å; H180-E183 WeakPolarHBondContact O-CB 3.49Å; H180-E183 PolarHBondContact O-N 3.12Å; H180-E183 VanDerWaalsContact O-N 3.17Å; H180-E184 IonicContact CE1-OE1 3.71Å; H180-E184 WeakPolarHBondContact O-CG 3.36Å; H180-E184 PolarHBondContact O-N 3Å; H180-F318 HydrophobicContact CB-CB 3.68Å; H180-L322 HydrophobicContact CB-CD1 3.98Å
181Y98.1Very high95.5Very high38 Ų3832.3 Ų32.315%0.14915%0.148CC..Hα-helixtrans-61.3-37.5174.9170.9-94.4000112.3F116 N117 H118 I121 K177 G178 N185F116-Y181 HydrophobicContact CB-CE1 4.13Å; F116-Y181 AromaticContact CD1-CE1 3.8Å; F116-Y181 HydrophobicContact CD1-CE1 3.8Å; F116-Y181 HydrophobicContact CG-CE1 4.33Å; N117-Y181 PolarHBondContact N-OH 2.86Å; H118-Y181 HydrophobicContact CB-CD1 3.61Å; H118-Y181 HydrophobicContact CB-CD2 3.93Å; H118-Y181 HydrophobicContact CB-CE1 3.79Å; H118-Y181 HydrophobicContact CB-CE2 4.11Å; H118-Y181 HydrophobicContact CB-CG 3.67Å; H118-Y181 AromaticContact CG-CG 3.76Å; I121-Y181 HydrophobicContact CD1-CD1 3.55Å; I121-Y181 HydrophobicContact CD1-CE1 3.83Å; K177-Y181 PolarHBondContact O-N 2.8Å; G178-Y181 PolarHBondContact O-N 3.14Å; Y181-N185 WeakPolarHBondContact CE2-ND2 3.27Å; Y181-N185 WeakPolarHBondContact O-CB 3.48Å; Y181-N185 PolarHBondContact O-N 3.29Å; Y181-N185 VanDerWaalsContact O-N 3.12Å; Y181-N185 PolarHBondContact O-ND2 3Å
182L95.3Very high95.5Very high1 Ų132 Ų321%0.00515%0.146CC..Hα-helixtrans-65.9-42.8173.1-63.4179.2000111.8F116 I121 G178 C179 H180 N185 Q186 F187 H189 I210 F213F116-L182 HydrophobicContact CD1-CD2 3.94Å; F116-L182 HydrophobicContact CE1-CD2 3.44Å; F116-L182 VanDerWaalsContact CE1-CD2 3.44Å; F116-L182 HydrophobicContact CE2-CD2 4.17Å; F116-L182 HydrophobicContact CG-CD2 4.47Å; F116-L182 HydrophobicContact CZ-CD2 3.58Å; I121-L182 HydrophobicContact CD1-CD2 3.72Å; I121-L182 HydrophobicContact CD1-CG 4.13Å; G178-L182 WeakPolarHBondContact O-CG 3.48Å; G178-L182 PolarHBondContact O-N 3.16Å; C179-L182 PolarHBondContact O-N 2.99Å; H180-L182 VanDerWaalsContact C-N 3.31Å; H180-L182 PolarHBondContact O-N 3.41Å; L182-N185 CarbonylContact O-C 3.39Å; L182-N185 PolarHBondContact O-N 3.21Å; L182-Q186 PolarHBondContact O-N 3.45Å; L182-Q186 VanDerWaalsContact O-N 3.09Å; L182-F187 CarbonylContact C-O 3.58Å; L182-F187 HydrophobicContact CB-CB 4.39Å; L182-F187 HydrophobicContact CB-CD1 4.33Å; L182-F187 HydrophobicContact CD1-CD1 4.15Å; L182-F187 HydrophobicContact CD2-CB 4.31Å; L182-F187 HydrophobicContact CD2-CD1 3.75Å; L182-F187 HydrophobicContact CD2-CE1 4.38Å; L182-F187 HydrophobicContact CD2-CG 4.25Å; L182-F187 HydrophobicContact CG-CD1 4.28Å; L182-F187 PolarHBondContact O-N 3.27Å; L182-H189 HydrophobicContact CD1-CB 4.15Å; L182-I210 HydrophobicContact CD1-CD1 3.94Å; L182-F213 HydrophobicContact CD1-CE1 4.09Å; L182-F213 HydrophobicContact CD2-CE1 4.17Å
183E95.2Very high95.4Very high28 Ų2832 Ų3213%0.13115%0.146CC..Hα-helixtrans-60.2-46.5176.1175.2172.2-115.500112.1C179 H180 N185 Q186 S250 F318C179-E183 WeakPolarHBondContact O-CB 3.5Å; C179-E183 PolarHBondContact O-N 2.66Å; H180-E183 WeakPolarHBondContact O-CB 3.49Å; H180-E183 PolarHBondContact O-N 3.12Å; H180-E183 VanDerWaalsContact O-N 3.17Å; E183-N185 VanDerWaalsContact C-N 3.31Å; E183-N185 PolarHBondContact O-N 3.05Å; E183-Q186 PolarHBondContact O-N 3.38Å; E183-Q186 VanDerWaalsContact O-N 3.08Å; E183-Q186 PolarHBondContact O-NE2 2.83Å; E183-S250 WeakPolarHBondContact OE1-CB 3.49Å; E183-F318 HydrophobicContact CB-CD2 4.17Å; E183-F318 WeakPolarHBondContact OE2-CB 3.34Å; E183-F318 PolarHBondContact OE2-N 2.99Å
184E95.1Very high95.4Very high131 Ų13128.8 Ų28.861%0.61213%0.134SC*.Hα-helixtrans-61.6-37.8175.3-71-169.3126.700112.5H180 Q186H180-E184 IonicContact CE1-OE1 3.71Å; H180-E184 WeakPolarHBondContact O-CG 3.36Å; H180-E184 PolarHBondContact O-N 3Å; E184-Q186 PolarHBondContact O-N 2.96Å
185N90.1Very high95.2Very high54 Ų5429.6 Ų29.629%0.28914%0.136SC..THydrogen-bonded Turntrans-83.58.9176.8-73.3-94.3000113.6F40 Y181 L182 E183 F187F40-N185 HydrophobicContact CE2-CB 3.99Å; F40-N185 HydrophobicContact CZ-CB 3.59Å; Y181-N185 WeakPolarHBondContact CE2-ND2 3.27Å; Y181-N185 WeakPolarHBondContact O-CB 3.48Å; Y181-N185 PolarHBondContact O-N 3.29Å; Y181-N185 VanDerWaalsContact O-N 3.12Å; Y181-N185 PolarHBondContact O-ND2 3Å; L182-N185 CarbonylContact O-C 3.39Å; L182-N185 PolarHBondContact O-N 3.21Å; E183-N185 VanDerWaalsContact C-N 3.31Å; E183-N185 PolarHBondContact O-N 3.05Å; N185-F187 PolarHBondContact O-N 2.96Å
186Q88.4Confident95.1Very high154 Ų15429.8 Ų29.872%0.7214%0.137SC*.THydrogen-bonded Turntrans56.533.7179-58.5-69.6-85.900113.6L182 E183 E184L182-Q186 PolarHBondContact O-N 3.45Å; L182-Q186 VanDerWaalsContact O-N 3.09Å; E183-Q186 PolarHBondContact O-N 3.38Å; E183-Q186 VanDerWaalsContact O-N 3.08Å; E183-Q186 PolarHBondContact O-NE2 2.83Å; E184-Q186 PolarHBondContact O-N 2.96Å
187F88.8Confident95.1Very high15 Ų1529.9 Ų29.97%0.06614%0.138CC..  trans-104.5136.3177.4-175.4-86.3000110.9Y38 F40 I112 F116 L182 N185 F213 A216Y38-F187 VanDerWaalsContact OH-CD2 3.32Å; Y38-F187 WeakPolarHBondContact OH-CD2 3.23Å; Y38-F187 VanDerWaalsContact OH-CE2 3.26Å; Y38-F187 WeakPolarHBondContact OH-CE2 3.4Å; F40-F187 HydrophobicContact CE2-CB 4.28Å; F40-F187 HydrophobicContact CE2-CD2 4.4Å; I112-F187 HydrophobicContact CG2-CE2 3.87Å; I112-F187 HydrophobicContact CG2-CZ 3.76Å; F116-F187 HydrophobicContact CE1-CB 4.44Å; F116-F187 HydrophobicContact CE1-CD1 4.49Å; F116-F187 HydrophobicContact CE1-CD2 4.25Å; F116-F187 HydrophobicContact CE1-CG 4.15Å; F116-F187 HydrophobicContact CE2-CE1 4.35Å; F116-F187 HydrophobicContact CE2-CE2 4.44Å; F116-F187 HydrophobicContact CE2-CZ 4.17Å; F116-F187 HydrophobicContact CZ-CB 4.5Å; F116-F187 AromaticContact CZ-CD1 3.83Å; F116-F187 HydrophobicContact CZ-CD1 3.83Å; F116-F187 AromaticContact CZ-CD2 3.7Å; F116-F187 HydrophobicContact CZ-CD2 3.7Å; F116-F187 AromaticContact CZ-CE1 3.82Å; F116-F187 HydrophobicContact CZ-CE1 3.82Å; F116-F187 AromaticContact CZ-CE2 3.68Å; F116-F187 HydrophobicContact CZ-CE2 3.68Å; F116-F187 AromaticContact CZ-CG 3.74Å; F116-F187 HydrophobicContact CZ-CG 3.74Å; F116-F187 AromaticContact CZ-CZ 3.71Å; F116-F187 HydrophobicContact CZ-CZ 3.71Å; L182-F187 CarbonylContact C-O 3.58Å; L182-F187 HydrophobicContact CB-CB 4.39Å; L182-F187 HydrophobicContact CB-CD1 4.33Å; L182-F187 HydrophobicContact CD1-CD1 4.15Å; L182-F187 HydrophobicContact CD2-CB 4.31Å; L182-F187 HydrophobicContact CD2-CD1 3.75Å; L182-F187 HydrophobicContact CD2-CE1 4.38Å; L182-F187 HydrophobicContact CD2-CG 4.25Å; L182-F187 HydrophobicContact CG-CD1 4.28Å; L182-F187 PolarHBondContact O-N 3.27Å; N185-F187 PolarHBondContact O-N 2.96Å; F187-F213 AromaticContact CE1-CD1 3.71Å; F187-F213 HydrophobicContact CE1-CD1 3.71Å; F187-F213 HydrophobicContact CE1-CE1 4.01Å; F187-F213 AromaticContact CZ-CD1 3.88Å; F187-F213 HydrophobicContact CZ-CD1 3.88Å; F187-F213 HydrophobicContact CZ-CE1 4.47Å; F187-A216 HydrophobicContact CE1-CB 3.72Å; F187-A216 HydrophobicContact CE2-CB 4.23Å; F187-A216 HydrophobicContact CZ-CB 3.31Å
188I90.1Very high95Very high32 Ų3228.5 Ų28.516%0.16413%0.133CC..  trans-113.7117.9-179.3-51.1159.4000108.4R190 F248 D253I188-R190 HydrophobicContact CG2-CG 3.93Å; I188-F248 HydrophobicContact CD1-CB 4.44Å; I188-F248 WeakPolarHBondContact CD1-O 3.46Å; I188-F248 HydrophobicContact CG2-CB 4.39Å; I188-D253 WeakPolarHBondContact CA-OD2 3.31Å
189H92.8Very high95Very high2 Ų228.5 Ų28.51%0.00913%0.133CC..  trans-74.9-33.4-174.7-165.8-85.4000113.3L182 D191 I192 I210 D212 F213 D253L182-H189 HydrophobicContact CD1-CB 4.15Å; H189-D191 PolarHBondContact CE1-O 3.31Å; H189-D191 VanDerWaalsContact CE1-O 3.3Å; H189-D191 VanDerWaalsContact ND1-C 3.29Å; H189-D191 PolarHBondContact ND1-O 3.49Å; H189-D191 PolarHBondContact O-N 3.38Å; H189-I192 HydrophobicContact CB-CD1 3.7Å; H189-I192 HydrophobicContact CB-CG1 3.94Å; H189-I192 VanDerWaalsContact CG-CD1 3.43Å; H189-I210 WeakPolarHBondContact NE2-CG2 3.28Å; H189-D212 PolarHBondContact CE1-O 3.4Å; H189-D212 PolarHBondContact NE2-O 3.1Å; H189-D212 VanDerWaalsContact NE2-O 3.16Å; H189-F213 AromaticContact CD2-CD1 3.52Å; H189-F213 AromaticContact CD2-CE1 3.54Å; H189-F213 AromaticContact NE2-CD1 3.67Å; H189-F213 AromaticContact NE2-CE1 3.86Å; H189-D253 PolarHBondContact N-OD1 3.47Å; H189-D253 PolarHBondContact N-OD2 3.47Å
190R91.4Very high95Very high37 Ų3730.4 Ų30.414%0.1414%0.144CC..SBendtrans64.7-18.5-179.7-55.4-170.3162.7-162.8-3.4116.8I188 M215 I219 F248 D253I188-R190 HydrophobicContact CG2-CG 3.93Å; R190-M215 HydrophobicContact CB-CB 4.42Å; R190-I219 VanDerWaalsContact CZ-CG1 3.48Å; R190-F248 HydrophobicContact CB-CD1 4.26Å; R190-F248 HydrophobicContact CB-CE1 4.28Å; R190-F248 HydrophobicContact CG-CD1 3.64Å; R190-F248 HydrophobicContact CG-CE1 4.06Å; R190-F248 HydrophobicContact CG-CG 4.38Å; R190-F248 VanDerWaalsContact NE-CG 3.33Å; R190-D253 PolarHBondContact N-OD1 3.35Å
191D92.2Very high94.9Very high5 Ų530.4 Ų30.43%0.02715%0.149CC..  trans-137.862.1177.2-164.425000113.1H189 A193 R195 N196 M215 P234H189-D191 PolarHBondContact CE1-O 3.31Å; H189-D191 VanDerWaalsContact CE1-O 3.3Å; H189-D191 VanDerWaalsContact ND1-C 3.29Å; H189-D191 PolarHBondContact ND1-O 3.49Å; H189-D191 PolarHBondContact O-N 3.38Å; D191-A193 PolarHBondContact O-N 2.8Å; D191-R195 IonicContact OD1-CZ 3.68Å; D191-R195 IonicContact OD1-NH2 3.12Å; D191-R195 PolarHBondContact OD1-NH2 3.28Å; D191-R195 IonicContact OD2-CZ 2.72Å; D191-R195 IonicContact OD2-NE 2.74Å; D191-R195 IonicContact OD2-NH2 2.7Å; D191-R195 PolarHBondContact OD2-NH2 3.29Å; D191-N196 PolarHBondContact O-ND2 2.97Å; D191-N196 PolarHBondContact OD2-ND2 3.18Å; D191-M215 HydrophobicContact CB-CB 3.94Å; D191-M215 HydrophobicContact CB-CG 3.89Å; D191-P234 HydrophobicContact CB-CG 4.29Å; D191-P234 VanDerWaalsContact OD1-CB 3.25Å; D191-P234 WeakPolarHBondContact OD1-CB 3.44Å
192I98Very high94.7Very high2 Ų232.6 Ų32.61%0.0116%0.159CC..  trans-76.5105.3169.8-62.5-64.4000108.7C179 H189 I210 W237 D253 F257 L260C179-I192 VanDerWaalsContact SG-CD1 3.59Å; H189-I192 HydrophobicContact CB-CD1 3.7Å; H189-I192 HydrophobicContact CB-CG1 3.94Å; H189-I192 VanDerWaalsContact CG-CD1 3.43Å; I192-I210 HydrophobicContact CD1-CD1 4Å; I192-W237 VanDerWaalsContact O-CD1 3.27Å; I192-D253 HydrophobicContact CG1-CB 4.22Å; I192-F257 HydrophobicContact CG2-CB 4.3Å; I192-F257 HydrophobicContact CG2-CD2 4.37Å; I192-L260 HydrophobicContact CG2-CB 4.24Å; I192-L260 HydrophobicContact CG2-CD2 3.7Å
193A98Very high94.6Very high0 Ų034.1 Ų34.10%018%0.175CC..  trans-150.8157.2-177.200000111D191 R195 N196 C197 W237D191-A193 PolarHBondContact O-N 2.8Å; A193-R195 HydrophobicContact CB-CG 3.96Å; A193-R195 VanDerWaalsContact CB-NH1 3.35Å; A193-R195 PolarHBondContact O-N 2.92Å; A193-N196 PolarHBondContact O-N 3.47Å; A193-C197 PolarHBondContact O-N 2.82Å; A193-C197 PolarHBondContact O-SG 3.47Å; A193-W237 HydrophobicContact CB-CD2 4.14Å; A193-W237 HydrophobicContact CB-CG 4.14Å; A193-W237 HydrophobicContact CB-CZ2 4.34Å; A193-W237 VanDerWaalsContact CB-NE1 3.35Å
194A98.4Very high94.5Very high0 Ų038.4 Ų38.40%021%0.205CC..G310 helixtrans-62.5-29.3-174.500000113.3L146 K147 N196 C197 L260 E263L146-A194 WeakPolarHBondContact CB-O 2.97Å; L146-A194 HydrophobicContact CD2-CB 4.44Å; L146-A194 HydrophobicContact CG-CB 4.39Å; K147-A194 HydrophobicContact CB-CB 3.94Å; K147-A194 PolarHBondContact N-O 2.6Å; A194-N196 VanDerWaalsContact C-N 3.27Å; A194-N196 PolarHBondContact O-N 3.43Å; A194-C197 PolarHBondContact O-N 3.26Å; A194-L260 HydrophobicContact CB-CD1 3.83Å; A194-E263 HydrophobicContact CB-CB 3.97Å; A194-E263 HydrophobicContact CB-CG 4.39Å; A194-E263 PolarHBondContact N-OE2 3.24Å
195R95.1Very high94.5Very high30 Ų3035.5 Ų35.511%0.11321%0.21CC..G310 helixtrans-64-25.2173.456.4166.5-171.1-73.63114.6D191 A193 W237 Y446 G447D191-R195 IonicContact OD1-CZ 3.68Å; D191-R195 IonicContact OD1-NH2 3.12Å; D191-R195 PolarHBondContact OD1-NH2 3.28Å; D191-R195 IonicContact OD2-CZ 2.72Å; D191-R195 IonicContact OD2-NE 2.74Å; D191-R195 IonicContact OD2-NH2 2.7Å; D191-R195 PolarHBondContact OD2-NH2 3.29Å; A193-R195 HydrophobicContact CB-CG 3.96Å; A193-R195 VanDerWaalsContact CB-NH1 3.35Å; A193-R195 PolarHBondContact O-N 2.92Å; R195-W237 VanDerWaalsContact NH1-CZ3 3.31Å; R195-Y446 WeakPolarHBondContact CD-O 3.45Å; R195-G447 WeakPolarHBondContact CB-O 3.44Å
196N96.4Very high94.8Very high4 Ų434.1 Ų34.12%0.02120%0.201CC..G310 helixtrans-100.23-178.4-59.1-15000111.8D191 A193 A194 G211 D212D191-N196 PolarHBondContact O-ND2 2.97Å; D191-N196 PolarHBondContact OD2-ND2 3.18Å; A193-N196 PolarHBondContact O-N 3.47Å; A194-N196 VanDerWaalsContact C-N 3.27Å; A194-N196 PolarHBondContact O-N 3.43Å; N196-G211 PolarHBondContact O-N 2.91Å; N196-D212 HydrophobicContact CB-CB 4.27Å
197C98.3Very high95.3Very high2 Ų229 Ų291%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-105.1129.3176.9-60.50000109.3D145 L146 I175 A193 A194 K209D145-C197 WeakPolarHBondContact CA-O 3.38Å; L146-C197 HydrophobicContact CB-CB 3.91Å; L146-C197 WeakPolarHBondContact CB-O 3.16Å; L146-C197 HydrophobicContact CD2-CB 3.85Å; L146-C197 PolarHBondContact N-O 2.95Å; I175-C197 HydrophobicContact CD1-CB 3.91Å; I175-C197 HydrophobicContact CG1-CB 4.32Å; A193-C197 PolarHBondContact O-N 2.82Å; A193-C197 PolarHBondContact O-SG 3.47Å; A194-C197 PolarHBondContact O-N 3.26Å; C197-K209 CarbonylContact C-O 3.55Å; C197-K209 WeakPolarHBondContact CA-O 3.35Å
198L98.1Very high95.8Very high17 Ų1728.3 Ų28.39%0.08918%0.177CC..EExtended strand (participates in β ladder)trans-115.4155.3-178.4-52.7-172.2000111.4V122 M141 G144 D145 A208 K209V122-L198 HydrophobicContact CG2-CD1 4.23Å; M141-L198 HydrophobicContact CB-CB 3.69Å; M141-L198 HydrophobicContact CB-CD1 3.97Å; M141-L198 HydrophobicContact CB-CG 4.48Å; M141-L198 HydrophobicContact CE-CB 3.92Å; M141-L198 VanDerWaalsContact CE-O 3.31Å; M141-L198 WeakPolarHBondContact CE-O 3.45Å; M141-L198 HydrophobicContact CG-CB 3.79Å; M141-L198 HydrophobicContact CG-CD1 3.94Å; G144-L198 WeakPolarHBondContact O-CA 3.09Å; D145-L198 HydrophobicContact CB-CD2 3.78Å; L198-A208 WeakPolarHBondContact O-CA 3.21Å; L198-K209 PolarHBondContact N-O 2.89Å; L198-K209 PolarHBondContact O-N 3.38Å
199L98.5Very high96.2Very high0 Ų027.6 Ų27.60%017%0.173CC..EExtended strand (participates in β ladder)trans-114.4139-179.2-67.6165.2000111.6M141 G143 G144 L146 F149 V171 C201 R206 A208M141-L199 CarbonylContact C-O 3.59Å; M141-L199 VanDerWaalsContact C-O 3.27Å; M141-L199 VanDerWaalsContact CE-C 3.41Å; G143-L199 VanDerWaalsContact CA-O 3.23Å; G143-L199 WeakPolarHBondContact CA-O 3.44Å; G143-L199 PolarHBondContact N-O 3.43Å; G144-L199 PolarHBondContact O-N 3.04Å; L146-L199 HydrophobicContact CD1-CD1 4.04Å; L146-L199 HydrophobicContact CD1-CD2 4.49Å; L146-L199 HydrophobicContact CD1-CG 4.48Å; F149-L199 HydrophobicContact CB-CD1 3.62Å; F149-L199 HydrophobicContact CD1-CD1 3.41Å; F149-L199 VanDerWaalsContact CD1-CD1 3.41Å; F149-L199 HydrophobicContact CD2-CD1 3.86Å; F149-L199 HydrophobicContact CE1-CD1 4.02Å; F149-L199 HydrophobicContact CE2-CD1 4.41Å; F149-L199 HydrophobicContact CG-CD1 3.32Å; F149-L199 HydrophobicContact CZ-CD1 4.49Å; V171-L199 HydrophobicContact CG2-CD2 4.2Å; L199-C201 VanDerWaalsContact C-N 3.33Å; L199-C201 PolarHBondContact O-N 3.29Å; L199-R206 HydrophobicContact CD2-CB 4.49Å; L199-R206 HydrophobicContact CD2-CG 4.19Å; L199-A208 HydrophobicContact CD2-CB 3.88Å
200T98.1Very high96.4Very high42 Ų4227.6 Ų27.626%0.25817%0.173SC..SBendtrans-63.6-38.3178.6520000112.4M141 A142 G143 V207M141-T200 HydrophobicContact CE-CG2 3.9Å; M141-T200 HydrophobicContact SD-CG2 4.13Å; A142-T200 PolarHBondContact N-O 2.95Å; G143-T200 PolarHBondContact N-O 2.77Å; T200-V207 HydrophobicContact CG2-CB 3.99Å; T200-V207 PolarHBondContact N-O 3.3Å; T200-V207 PolarHBondContact OG1-N 3.35Å
201C96.7Very high96.5Very high45 Ų4526.4 Ų26.430%0.30417%0.172SC..  trans-150.4168.4174.263.50000111.1G143 L199 R206G143-C201 VanDerWaalsContact CA-C 3.48Å; L199-C201 VanDerWaalsContact C-N 3.33Å; L199-C201 PolarHBondContact O-N 3.29Å; C201-R206 WeakPolarHBondContact O-CB 3.16Å
202K94.1Very high96.2Very high84 Ų8427.2 Ų27.237%0.36518%0.177SC..SBendtrans-82.8-30.6173.3-60.5-163.7177.7-170.20113.3G143 F149 E152 R206G143-K202 WeakPolarHBondContact O-CE 3.41Å; G143-K202 WeakPolarHBondContact O-CG 3.25Å; F149-K202 HydrophobicContact CD2-CB 4.28Å; F149-K202 HydrophobicContact CD2-CG 4.19Å; F149-K202 HydrophobicContact CE2-CB 4.11Å; F149-K202 WeakPolarHBondContact CE2-O 3.47Å; E152-K202 IonicContact OE1-NZ 2.84Å; E152-K202 PolarHBondContact OE1-NZ 2.98Å; E152-K202 IonicContact OE2-NZ 2.79Å; E152-K202 PolarHBondContact OE2-NZ 3.31Å; K202-R206 PolarHBondContact O-NE 3.35Å; K202-R206 PolarHBondContact O-NH2 3.04Å
203G92.9Very high95.4Very high33 Ų3327.2 Ų27.234%0.3418%0.176SC..SBendtrans-73.1-177-177.600000114.9R206G203-R206 VanDerWaalsContact O-CZ 3.31Å; G203-R206 PolarHBondContact O-N 3.19Å; G203-R206 PolarHBondContact O-NE 2.82Å; G203-R206 VanDerWaalsContact O-NE 3.13Å; G203-R206 PolarHBondContact O-NH2 2.82Å
204P93.8Very high94.1Very high118 Ų11827.3 Ų27.377%0.76618%0.177SC*.THydrogen-bonded Turntrans-55.4151.2170.8-23.334.5000112.2R206P204-R206 VanDerWaalsContact C-N 3.29Å
205G93.6Very high92.6Very high70 Ų7028.3 Ų28.372%0.72218%0.182SC*.THydrogen-bonded Turntrans78.68.5-17500000114.7
206R97.1Very high91.1Very high25 Ų2526.9 Ų26.99%0.09418%0.177CC..  trans-60140.6171.274-171.879.876.6-4.8111.4D167 L199 C201 K202 G203 P204D167-R206 IonicContact OD1-CZ 3.55Å; D167-R206 IonicContact OD1-NH1 2.74Å; D167-R206 PolarHBondContact OD1-NH1 2.77Å; L199-R206 HydrophobicContact CD2-CB 4.49Å; L199-R206 HydrophobicContact CD2-CG 4.19Å; C201-R206 WeakPolarHBondContact O-CB 3.16Å; K202-R206 PolarHBondContact O-NE 3.35Å; K202-R206 PolarHBondContact O-NH2 3.04Å; G203-R206 VanDerWaalsContact O-CZ 3.31Å; G203-R206 PolarHBondContact O-N 3.19Å; G203-R206 PolarHBondContact O-NE 2.82Å; G203-R206 VanDerWaalsContact O-NE 3.13Å; G203-R206 PolarHBondContact O-NH2 2.82Å; P204-R206 VanDerWaalsContact C-N 3.29Å
207V98.6Very high89.4Confident47 Ų4727.3 Ų27.329%0.28518%0.179SC..  trans-116.9135.1173.3173.10000108D174 T200 K209D174-V207 WeakPolarHBondContact OD2-CA 3.38Å; D174-V207 WeakPolarHBondContact OD2-CG1 2.91Å; T200-V207 HydrophobicContact CG2-CB 3.99Å; T200-V207 PolarHBondContact N-O 3.3Å; T200-V207 PolarHBondContact OG1-N 3.35Å; V207-K209 HydrophobicContact CG1-CG 4.45Å
208A98.8Very high87.4Confident0 Ų027.6 Ų27.60%018%0.18CC..EExtended strand (participates in β ladder)trans-92.2140.717700000111.4N120 V171 D174 I175 L198 L199N120-A208 PolarHBondContact ND2-O 2.89Å; V171-A208 HydrophobicContact CB-CB 4.42Å; V171-A208 HydrophobicContact CG1-CB 4Å; V171-A208 HydrophobicContact CG2-CB 4.46Å; D174-A208 HydrophobicContact CB-CB 3.88Å; D174-A208 PolarHBondContact OD2-N 3.4Å; D174-A208 VanDerWaalsContact OD2-N 3.07Å; I175-A208 HydrophobicContact CD1-CB 3.81Å; I175-A208 HydrophobicContact CG1-CB 3.98Å; L198-A208 WeakPolarHBondContact O-CA 3.21Å; L199-A208 HydrophobicContact CD2-CB 3.88Å
209K98.8Very high85.2Confident17 Ų1730.1 Ų30.17%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-138.9148.4178.6-47.7-163.7-173.5-160.50112.8Q119 N120 V122 E139 M141 I175 C197 L198 V207Q119-K209 VanDerWaalsContact O-CD 3.3Å; Q119-K209 WeakPolarHBondContact O-CD 3.33Å; Q119-K209 WeakPolarHBondContact O-CE 3.26Å; Q119-K209 PolarHBondContact O-NZ 3.06Å; N120-K209 CarbonylContact O-C 3.55Å; N120-K209 VanDerWaalsContact O-CA 3.26Å; N120-K209 WeakPolarHBondContact O-CA 3.44Å; V122-K209 HydrophobicContact CG2-CB 3.94Å; V122-K209 HydrophobicContact CG2-CD 4.49Å; E139-K209 IonicContact OE1-NZ 2.66Å; E139-K209 PolarHBondContact OE1-NZ 2.92Å; E139-K209 IonicContact OE2-NZ 3.89Å; E139-K209 PolarHBondContact OE2-NZ 2.8Å; M141-K209 HydrophobicContact CE-CB 3.87Å; M141-K209 HydrophobicContact CE-CD 3.84Å; M141-K209 HydrophobicContact CE-CG 3.56Å; M141-K209 HydrophobicContact SD-CD 4Å; M141-K209 HydrophobicContact SD-CG 4.4Å; I175-K209 VanDerWaalsContact CD1-C 3.49Å; C197-K209 CarbonylContact C-O 3.55Å; C197-K209 WeakPolarHBondContact CA-O 3.35Å; L198-K209 PolarHBondContact N-O 2.89Å; L198-K209 PolarHBondContact O-N 3.38Å; V207-K209 HydrophobicContact CG1-CG 4.45Å
210I98.2Very high82.7Confident1 Ų135.8 Ų35.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-72.5127.6168.6-57.5172.7000108.7N120 I121 V122 I175 L182 H189 I192 F213N120-I210 PolarHBondContact O-N 2.81Å; I121-I210 HydrophobicContact CG1-CB 4.39Å; V122-I210 WeakPolarHBondContact CG2-O 3.37Å; V122-I210 PolarHBondContact N-O 3.08Å; I175-I210 HydrophobicContact CD1-CG1 4.25Å; I175-I210 HydrophobicContact CG2-CD1 4.43Å; I175-I210 HydrophobicContact CG2-CG1 4.08Å; L182-I210 HydrophobicContact CD1-CD1 3.94Å; H189-I210 WeakPolarHBondContact NE2-CG2 3.28Å; I192-I210 HydrophobicContact CD1-CD1 4Å; I210-F213 HydrophobicContact CB-CZ 4.44Å; I210-F213 HydrophobicContact CG2-CE1 4.17Å; I210-F213 HydrophobicContact CG2-CE2 4.2Å; I210-F213 HydrophobicContact CG2-CZ 3.79Å
211G92.5Very high80.5Confident13 Ų1338.1 Ų38.113%0.13422%0.219CC..  trans-132.7-8.8-167.700000117.9N196N196-G211 PolarHBondContact O-N 2.91Å
212D85.8Confident77.7Confident22 Ų2240.9 Ų40.912%0.11825%0.246CC..  trans-133.8113.5172.7-167.7-15.1000111H189 N196 G214H189-D212 PolarHBondContact CE1-O 3.4Å; H189-D212 PolarHBondContact NE2-O 3.1Å; H189-D212 VanDerWaalsContact NE2-O 3.16Å; N196-D212 HydrophobicContact CB-CB 4.27Å; D212-G214 WeakPolarHBondContact OD1-CA 3.47Å; D212-G214 PolarHBondContact OD1-N 3.17Å
213F81.3Confident75.2Confident1 Ų141 Ų410%0.00426%0.257CS..  trans-95.314.5-179.4-69.7-89.5000112.9I112 I113 F116 I121 L182 F187 H189 I210 M215 A216I112-F213 HydrophobicContact CG2-CB 4.09Å; I112-F213 HydrophobicContact CG2-CD1 4.29Å; I112-F213 HydrophobicContact CG2-CG 4.22Å; I113-F213 HydrophobicContact CD1-CD2 4Å; I113-F213 HydrophobicContact CD1-CE2 4.11Å; I113-F213 HydrophobicContact CG1-CD2 4.18Å; I113-F213 HydrophobicContact CG1-CE2 4.15Å; F116-F213 HydrophobicContact CD2-CD1 4.43Å; F116-F213 AromaticContact CD2-CE1 3.8Å; F116-F213 HydrophobicContact CD2-CE1 3.8Å; F116-F213 HydrophobicContact CD2-CE2 4.13Å; F116-F213 AromaticContact CD2-CZ 3.64Å; F116-F213 HydrophobicContact CD2-CZ 3.64Å; F116-F213 AromaticContact CE2-CD1 3.62Å; F116-F213 HydrophobicContact CE2-CD1 3.62Å; F116-F213 AromaticContact CE2-CE1 3.25Å; F116-F213 HydrophobicContact CE2-CE1 3.25Å; F116-F213 HydrophobicContact CE2-CE2 4.24Å; F116-F213 HydrophobicContact CE2-CG 4.24Å; F116-F213 AromaticContact CE2-CZ 3.61Å; F116-F213 HydrophobicContact CE2-CZ 3.61Å; F116-F213 HydrophobicContact CZ-CD1 4.35Å; F116-F213 AromaticContact CZ-CE1 3.97Å; F116-F213 HydrophobicContact CZ-CE1 3.97Å; I121-F213 HydrophobicContact CD1-CZ 4.3Å; I121-F213 HydrophobicContact CG1-CZ 4.44Å; I121-F213 HydrophobicContact CG2-CE2 3.84Å; I121-F213 HydrophobicContact CG2-CZ 3.66Å; L182-F213 HydrophobicContact CD1-CE1 4.09Å; L182-F213 HydrophobicContact CD2-CE1 4.17Å; F187-F213 AromaticContact CE1-CD1 3.71Å; F187-F213 HydrophobicContact CE1-CD1 3.71Å; F187-F213 HydrophobicContact CE1-CE1 4.01Å; F187-F213 AromaticContact CZ-CD1 3.88Å; F187-F213 HydrophobicContact CZ-CD1 3.88Å; F187-F213 HydrophobicContact CZ-CE1 4.47Å; H189-F213 AromaticContact CD2-CD1 3.52Å; H189-F213 AromaticContact CD2-CE1 3.54Å; H189-F213 AromaticContact NE2-CD1 3.67Å; H189-F213 AromaticContact NE2-CE1 3.86Å; I210-F213 HydrophobicContact CB-CZ 4.44Å; I210-F213 HydrophobicContact CG2-CE1 4.17Å; I210-F213 HydrophobicContact CG2-CE2 4.2Å; I210-F213 HydrophobicContact CG2-CZ 3.79Å; F213-M215 VanDerWaalsContact C-N 3.3Å; F213-M215 PolarHBondContact O-N 2.97Å; F213-M215 VanDerWaalsContact O-N 3.12Å; F213-A216 WeakPolarHBondContact O-CB 3.42Å; F213-A216 PolarHBondContact O-N 2.8Å
214G71.6Confident72.6Confident2 Ų243.2 Ų43.22%0.02126%0.256CS..G310 helixtrans-58.5-32.1-163.600000116.5D212 R217D212-G214 WeakPolarHBondContact OD1-CA 3.47Å; D212-G214 PolarHBondContact OD1-N 3.17Å; G214-R217 PolarHBondContact O-NE 2.71Å; G214-R217 PolarHBondContact O-NH2 2.77Å; G214-R217 VanDerWaalsContact O-NH2 3.1Å
215M67.3Low70.2Confident21 Ų2147 Ų4710%0.10326%0.256CS..G310 helixtrans-84.4-16.2177.7-69.1-77.194.400114R190 D191 F213 R217 D218 Y446R190-M215 HydrophobicContact CB-CB 4.42Å; D191-M215 HydrophobicContact CB-CB 3.94Å; D191-M215 HydrophobicContact CB-CG 3.89Å; F213-M215 VanDerWaalsContact C-N 3.3Å; F213-M215 PolarHBondContact O-N 2.97Å; F213-M215 VanDerWaalsContact O-N 3.12Å; M215-R217 PolarHBondContact O-N 3.28Å; M215-D218 WeakPolarHBondContact CE-OD2 3.3Å; M215-D218 PolarHBondContact O-N 2.59Å; M215-Y446 HydrophobicContact CE-CE2 4.46Å
216A63.6Low67.5Low1 Ų153.7 Ų53.71%0.00826%0.259CS..G310 helixtrans-76.5-8175.200000113.1F187 F213 I219F187-A216 HydrophobicContact CE1-CB 3.72Å; F187-A216 HydrophobicContact CE2-CB 4.23Å; F187-A216 HydrophobicContact CZ-CB 3.31Å; F213-A216 WeakPolarHBondContact O-CB 3.42Å; F213-A216 PolarHBondContact O-N 2.8Å; A216-I219 WeakPolarHBondContact O-CG1 3.49Å
217R60.6Low64.6Low12 Ų1261.9 Ų61.95%0.04530%0.296CS..G310 helixtrans-73.9-36.5169.6-67.5178.3-64.6-141.2-5.9112.9D105 M108 E109 I112 G214 M215 I219 Y220D105-R217 WeakPolarHBondContact O-CD 3.36Å; D105-R217 PolarHBondContact O-NH1 3.32Å; M108-R217 HydrophobicContact CB-CG 4.2Å; E109-R217 IonicContact OE2-CZ 2.7Å; E109-R217 IonicContact OE2-NH1 2.65Å; E109-R217 PolarHBondContact OE2-NH1 3.45Å; I112-R217 HydrophobicContact CD1-CG 3.66Å; G214-R217 PolarHBondContact O-NE 2.71Å; G214-R217 PolarHBondContact O-NH2 2.77Å; G214-R217 VanDerWaalsContact O-NH2 3.1Å; M215-R217 PolarHBondContact O-N 3.28Å; R217-I219 PolarHBondContact O-N 3.1Å; R217-Y220 PolarHBondContact O-N 3.47Å
218D56.3Low61.9Low8 Ų863.4 Ų63.44%0.04332%0.321CS..G310 helixtrans-65-11-169.9-77.5-43000113.8M215 Y220 R221 Y224M215-D218 WeakPolarHBondContact CE-OD2 3.3Å; M215-D218 PolarHBondContact O-N 2.59Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 3.09Å; D218-R221 WeakPolarHBondContact O-CB 3.46Å; D218-R221 PolarHBondContact O-N 3.46Å; D218-R221 WeakPolarHBondContact OD1-CD 3.42Å; D218-R221 IonicContact OD1-CZ 3.52Å; D218-R221 IonicContact OD1-NE 3.46Å; D218-R221 IonicContact OD1-NH1 2.73Å; D218-R221 PolarHBondContact OD1-NH1 3.28Å; D218-Y224 HydrophobicContact CB-CD2 3.98Å; D218-Y224 HydrophobicContact CB-CE2 3.63Å; D218-Y224 WeakPolarHBondContact OD1-CE2 3.18Å; D218-Y224 PolarHBondContact OD2-OH 3.13Å
219I51.3Low59.1Low71 Ų7166.3 Ų66.336%0.36435%0.351SS..G310 helixtrans-61.2-38.9171.5-36.7-165.3000111.7R190 A216 R217 R221R190-I219 VanDerWaalsContact CZ-CG1 3.48Å; A216-I219 WeakPolarHBondContact O-CG1 3.49Å; R217-I219 PolarHBondContact O-N 3.1Å; I219-R221 PolarHBondContact O-N 3.34Å
220Y46Very low56.6Low118 Ų11877.7 Ų77.746%0.46339%0.393SS..G310 helixtrans-74-10.4-178.2-69.5-90.2000112.5Y38 C39 M108 R217 D218 A222Y38-Y220 AromaticContact CD2-CE2 3.91Å; Y38-Y220 HydrophobicContact CD2-CE2 3.91Å; Y38-Y220 AromaticContact CD2-CZ 3.74Å; Y38-Y220 AromaticContact CE2-CE2 3.76Å; Y38-Y220 HydrophobicContact CE2-CE2 3.76Å; Y38-Y220 AromaticContact CE2-CZ 3.78Å; Y38-Y220 VanDerWaalsContact CE2-OH 3.31Å; Y38-Y220 WeakPolarHBondContact CE2-OH 3.21Å; C39-Y220 PolarHBondContact O-OH 3.26Å; M108-Y220 HydrophobicContact CE-CD2 4.3Å; M108-Y220 HydrophobicContact CE-CG 4.38Å; R217-Y220 PolarHBondContact O-N 3.47Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 3.09Å; Y220-A222 PolarHBondContact O-N 3.04Å
221R52.4Low54.4Low91 Ų9179.9 Ų79.934%0.34341%0.412SS..SBendtrans-86.689.7173.5-55.8172.794.517212.8108D218 I219 S223 Y224D218-R221 WeakPolarHBondContact O-CB 3.46Å; D218-R221 PolarHBondContact O-N 3.46Å; D218-R221 WeakPolarHBondContact OD1-CD 3.42Å; D218-R221 IonicContact OD1-CZ 3.52Å; D218-R221 IonicContact OD1-NE 3.46Å; D218-R221 IonicContact OD1-NH1 2.73Å; D218-R221 PolarHBondContact OD1-NH1 3.28Å; I219-R221 PolarHBondContact O-N 3.34Å; R221-S223 PolarHBondContact O-N 2.97Å; R221-Y224 PolarHBondContact O-N 3.08Å
222A38.3Very low53Low104 Ų10485.8 Ų85.886%0.8644%0.438SS*.THydrogen-bonded Turntrans-65.430.4-173.100000116.3Y220Y220-A222 PolarHBondContact O-N 3.04Å
223S39.5Very low52.6Low86 Ų8687.9 Ų87.960%0.60145%0.448SS*.THydrogen-bonded Turntrans-154.328.4-17853.50000114.2R221 Y225R221-S223 PolarHBondContact O-N 2.97Å; S223-Y225 PolarHBondContact O-N 3.37Å
224Y39.4Very low52.9Low80 Ų8088.5 Ų88.531%0.31445%0.452SS..  trans-72.839.8-175.6-143.8-91.6000115.7D218 R221 A231 L233D218-Y224 HydrophobicContact CB-CD2 3.98Å; D218-Y224 HydrophobicContact CB-CE2 3.63Å; D218-Y224 WeakPolarHBondContact OD1-CE2 3.18Å; D218-Y224 PolarHBondContact OD2-OH 3.13Å; R221-Y224 PolarHBondContact O-N 3.08Å; Y224-A231 HydrophobicContact CE1-CB 4.47Å; Y224-A231 HydrophobicContact CE2-CB 4.27Å; Y224-A231 WeakPolarHBondContact OH-CB 3.43Å; Y224-L233 HydrophobicContact CE1-CD2 3.92Å
225Y44.3Very low53.8Low196 Ų19689.4 Ų89.477%0.76946%0.457SS*.  trans-147.283.1156.9-167.9-106.4000111.1S223S223-Y225 PolarHBondContact O-N 3.37Å
226R36.7Very low55.2Low211 Ų21188.9 Ų88.980%0.79646%0.455SS*.  trans-121.7107.3159.1-75-167.9-178.2173.54.5110G228 G229R226-G228 VanDerWaalsContact C-N 3.25Å; R226-G228 PolarHBondContact O-N 2.67Å; R226-G229 PolarHBondContact O-N 3.33Å
227K34.9Very low56.8Low198 Ų19889.6 Ų89.686%0.86146%0.457SS*.THydrogen-bonded Turntrans-55.182.2170.7-171.9175.8-176.3175.10110.4
228G41.8Very low58.4Low79 Ų7989.2 Ų89.281%0.81446%0.456SS*.THydrogen-bonded Turntrans156.7-23.7-172.100000115.3R226R226-G228 VanDerWaalsContact C-N 3.25Å; R226-G228 PolarHBondContact O-N 2.67Å
229G41.5Very low60.3Low61 Ų6188.9 Ų88.963%0.62945%0.454SS*.SBendtrans-95.9123.9173.900000111.9R226 A231R226-G229 PolarHBondContact O-N 3.33Å; G229-A231 PolarHBondContact O-N 3.06Å
230R45.7Very low62.2Low255 Ų25585.7 Ų85.796%0.96244%0.438SS*.  trans-79.7106.3-175.5-65.2-178.8-174.4171.91.6112.1
231A51.6Low64.2Low48 Ų4880.9 Ų80.940%0.39742%0.42SS..  trans-129.3135.7154.700000109Y224 G229 L233Y224-A231 HydrophobicContact CE1-CB 4.47Å; Y224-A231 HydrophobicContact CE2-CB 4.27Å; Y224-A231 WeakPolarHBondContact OH-CB 3.43Å; G229-A231 PolarHBondContact O-N 3.06Å; A231-L233 PolarHBondContact O-N 2.96Å
232M64Low65.9Low137 Ų13776.8 Ų76.868%0.67541%0.405SS*.  trans-89.394.7-173.2-70.2-172.767.300110.6
233L75.6Confident67.8Low66 Ų6673.6 Ų73.635%0.34637%0.372SS..  trans-60.1141.4174.2-75.1174.6000111.7Y224 A231 V235 M238Y224-L233 HydrophobicContact CE1-CD2 3.92Å; A231-L233 PolarHBondContact O-N 2.96Å; L233-V235 HydrophobicContact CB-CG2 4.11Å; L233-V235 PolarHBondContact O-N 3.41Å; L233-M238 HydrophobicContact CB-SD 3.9Å; L233-M238 HydrophobicContact CD1-CE 4.38Å; L233-M238 HydrophobicContact CD1-SD 4.46Å; L233-M238 HydrophobicContact CD2-CE 4.22Å; L233-M238 HydrophobicContact CD2-SD 4.12Å; L233-M238 HydrophobicContact CG-SD 4.4Å
234P88.7Confident69.7Low13 Ų1374.7 Ų74.78%0.08437%0.369CS..  trans-7955.4177.635.4-37.6000111.4D191 K236 W237 M238D191-P234 HydrophobicContact CB-CG 4.29Å; D191-P234 VanDerWaalsContact OD1-CB 3.25Å; D191-P234 WeakPolarHBondContact OD1-CB 3.44Å; P234-K236 PolarHBondContact O-N 3.03Å; P234-W237 HydrophobicContact CB-CE3 4.19Å; P234-W237 PolarHBondContact O-N 2.87Å; P234-M238 HydrophobicContact CG-CG 4.17Å; P234-M238 HydrophobicContact CG-SD 4.25Å; P234-M238 PolarHBondContact O-N 3.31Å
235V90.5Very high71.6Confident21 Ų2177.4 Ų77.413%0.12739%0.385CS..G310 helixtrans-46-40.1-167.4-179.70000113.8L233 W237 M238 N277 L281L233-V235 HydrophobicContact CB-CG2 4.11Å; L233-V235 PolarHBondContact O-N 3.41Å; V235-W237 PolarHBondContact O-N 2.8Å; V235-M238 PolarHBondContact O-N 2.72Å; V235-M238 VanDerWaalsContact O-N 3.13Å; V235-N277 HydrophobicContact CB-CB 4.07Å; V235-N277 HydrophobicContact CG1-CB 4.22Å; V235-N277 HydrophobicContact CG2-CB 4.25Å; V235-L281 HydrophobicContact CG1-CB 4.4Å
236K96.3Very high73.3Confident11 Ų1170.3 Ų70.35%0.04837%0.371CS..G310 helixtrans-68.3-14.4-179.7-61.3-166.5164.7-158.20115.3P234 M270 P271 Y272 R275 V280P234-K236 PolarHBondContact O-N 3.03Å; K236-M270 HydrophobicContact CD-SD 4.1Å; K236-P271 HydrophobicContact CB-CB 4.46Å; K236-P271 VanDerWaalsContact CD-O 3.29Å; K236-P271 WeakPolarHBondContact CD-O 3.45Å; K236-P271 PolarHBondContact NZ-O 2.8Å; K236-Y272 HydrophobicContact CB-CD2 4.24Å; K236-Y272 HydrophobicContact CG-CD2 4.49Å; K236-Y272 PolarHBondContact NZ-O 2.84Å; K236-Y272 WeakPolarHBondContact O-CE2 3.39Å; K236-R275 VanDerWaalsContact CE-O 3.26Å; K236-R275 WeakPolarHBondContact CE-O 3.32Å; K236-R275 PolarHBondContact NZ-O 2.88Å; K236-V280 HydrophobicContact CD-CG2 4.48Å; K236-V280 HydrophobicContact CG-CG1 4.34Å; K236-V280 HydrophobicContact CG-CG2 4.25Å
237W97.6Very high75.5Confident16 Ų1664 Ų646%0.06135%0.352CS..G310 helixtrans-106.80.8174.6-65.1-101000112.4I192 A193 R195 P234 V235 S256 V259 E263 M270 P271I192-W237 VanDerWaalsContact O-CD1 3.27Å; A193-W237 HydrophobicContact CB-CD2 4.14Å; A193-W237 HydrophobicContact CB-CG 4.14Å; A193-W237 HydrophobicContact CB-CZ2 4.34Å; A193-W237 VanDerWaalsContact CB-NE1 3.35Å; R195-W237 VanDerWaalsContact NH1-CZ3 3.31Å; P234-W237 HydrophobicContact CB-CE3 4.19Å; P234-W237 PolarHBondContact O-N 2.87Å; V235-W237 PolarHBondContact O-N 2.8Å; W237-S256 WeakPolarHBondContact O-CA 3.31Å; W237-S256 WeakPolarHBondContact O-CB 3.3Å; W237-S256 PolarHBondContact O-OG 3.33Å; W237-V259 VanDerWaalsContact CD1-CG1 3.44Å; W237-V259 HydrophobicContact CD2-CG1 4.37Å; W237-V259 HydrophobicContact CG-CB 4.33Å; W237-V259 HydrophobicContact CG-CG1 3.94Å; W237-E263 WeakPolarHBondContact CZ2-OE1 3.47Å; W237-E263 PolarHBondContact NE1-OE2 3.48Å; W237-M270 HydrophobicContact CH2-SD 4.04Å; W237-P271 HydrophobicContact CH2-CG 4.42Å; W237-P271 HydrophobicContact CZ2-CG 3.75Å
238M94.2Very high77.9Confident4 Ų456.4 Ų56.42%0.0232%0.319CS..  trans-96.7142.3-176.7-67.5175.370.400112.3L233 P234 V235 A242 F243 F248 W255L233-M238 HydrophobicContact CB-SD 3.9Å; L233-M238 HydrophobicContact CD1-CE 4.38Å; L233-M238 HydrophobicContact CD1-SD 4.46Å; L233-M238 HydrophobicContact CD2-CE 4.22Å; L233-M238 HydrophobicContact CD2-SD 4.12Å; L233-M238 HydrophobicContact CG-SD 4.4Å; P234-M238 HydrophobicContact CG-CG 4.17Å; P234-M238 HydrophobicContact CG-SD 4.25Å; P234-M238 PolarHBondContact O-N 3.31Å; V235-M238 PolarHBondContact O-N 2.72Å; V235-M238 VanDerWaalsContact O-N 3.13Å; M238-A242 HydrophobicContact CB-CB 4.49Å; M238-A242 HydrophobicContact CE-CB 3.74Å; M238-A242 VanDerWaalsContact CE-O 3.31Å; M238-A242 WeakPolarHBondContact CE-O 3.2Å; M238-F243 HydrophobicContact CB-CD1 3.9Å; M238-F243 HydrophobicContact CE-CB 4.03Å; M238-F248 HydrophobicContact CE-CE1 4.21Å; M238-F248 HydrophobicContact CE-CZ 3.97Å; M238-W255 PolarHBondContact O-NE1 3.36Å; M238-W255 VanDerWaalsContact O-NE1 3.15Å
239P95.4Very high80.2Confident0 Ų055.1 Ų55.10%030%0.296CS..  trans-81.5167.4169.436.4-39.1000112.4E241 A242 F243 T252 W255P239-E241 WeakPolarHBondContact CB-OE2 3.46Å; P239-E241 WeakPolarHBondContact CG-OE1 3.34Å; P239-E241 PolarHBondContact O-N 3.05Å; P239-A242 HydrophobicContact CG-CB 3.85Å; P239-A242 PolarHBondContact O-N 3.35Å; P239-F243 WeakPolarHBondContact O-CD1 3.25Å; P239-F243 WeakPolarHBondContact O-CE1 3.46Å; P239-T252 HydrophobicContact CG-CG2 3.74Å; P239-W255 HydrophobicContact CB-CB 3.91Å; P239-W255 HydrophobicContact CB-CD2 3.51Å; P239-W255 HydrophobicContact CB-CE3 3.67Å; P239-W255 HydrophobicContact CB-CG 3.61Å; P239-W255 HydrophobicContact CB-CZ3 4.36Å; P239-W255 HydrophobicContact CG-CB 4.24Å; P239-W255 HydrophobicContact CG-CG 4.29Å
240P91.1Very high82.7Confident4 Ų453.2 Ų53.23%0.02627%0.273CS..Hα-helixtrans-49.5-51.2-179.9-28.435.1000114.9A242 F243 M244 V284P240-A242 PolarHBondContact O-N 3.43Å; P240-F243 HydrophobicContact CB-CZ 4.41Å; P240-F243 PolarHBondContact O-N 3.12Å; P240-M244 HydrophobicContact CB-SD 4.08Å; P240-M244 VanDerWaalsContact O-CB 3.28Å; P240-M244 WeakPolarHBondContact O-CB 3.32Å; P240-M244 WeakPolarHBondContact O-CG 3.39Å; P240-M244 PolarHBondContact O-N 3.2Å; P240-V284 HydrophobicContact CG-CG1 4.06Å
241E88.6Confident85.2Confident18 Ų1843.1 Ų43.18%0.08424%0.236CC..Hα-helixtrans-63.6-28-174.474.5-74.1175.800113P239 E245 G246 I247 P312 R315P239-E241 WeakPolarHBondContact CB-OE2 3.46Å; P239-E241 WeakPolarHBondContact CG-OE1 3.34Å; P239-E241 PolarHBondContact O-N 3.05Å; E241-E245 CarbonylContact O-C 3.52Å; E241-E245 WeakPolarHBondContact O-CA 3.23Å; E241-E245 WeakPolarHBondContact O-CB 3.36Å; E241-E245 PolarHBondContact O-N 2.66Å; E241-E245 VanDerWaalsContact O-N 3.07Å; E241-G246 PolarHBondContact O-N 3.44Å; E241-I247 HydrophobicContact CB-CB 4.26Å; E241-I247 HydrophobicContact CG-CB 4.13Å; E241-I247 HydrophobicContact CG-CG2 4.27Å; E241-I247 PolarHBondContact O-N 3.39Å; E241-I247 VanDerWaalsContact O-N 3.07Å; E241-P312 HydrophobicContact CG-CG 4.26Å; E241-R315 IonicContact OE1-CZ 3.74Å; E241-R315 IonicContact OE1-NH1 3.75Å; E241-R315 PolarHBondContact OE1-NH1 2.85Å; E241-R315 IonicContact OE1-NH2 2.61Å; E241-R315 PolarHBondContact OE1-NH2 3.24Å; E241-R315 IonicContact OE2-CZ 2.74Å; E241-R315 IonicContact OE2-NH1 2.65Å; E241-R315 IonicContact OE2-NH2 2.8Å; E241-R315 PolarHBondContact OE2-NH2 2.81Å
242A87.3Confident87.3Confident4 Ų440.9 Ų40.93%0.03322%0.217CC..Hα-helixtrans-77.8-28.2-178.300000113.3M238 P239 P240 I247 F248 T252M238-A242 HydrophobicContact CB-CB 4.49Å; M238-A242 HydrophobicContact CE-CB 3.74Å; M238-A242 VanDerWaalsContact CE-O 3.31Å; M238-A242 WeakPolarHBondContact CE-O 3.2Å; P239-A242 HydrophobicContact CG-CB 3.85Å; P239-A242 PolarHBondContact O-N 3.35Å; P240-A242 PolarHBondContact O-N 3.43Å; A242-I247 VanDerWaalsContact CA-O 3.25Å; A242-I247 WeakPolarHBondContact CA-O 3.42Å; A242-I247 WeakPolarHBondContact CB-O 3.42Å; A242-F248 HydrophobicContact CB-CD1 4.26Å; A242-F248 HydrophobicContact CB-CE1 3.94Å; A242-F248 HydrophobicContact CB-CZ 4.1Å; A242-T252 HydrophobicContact CB-CG2 3.97Å
243F79.5Confident88.9Confident37 Ų3734.6 Ų34.616%0.16219%0.186CC..Hα-helixtrans-104.6-19.1176.760.3-117000114.4M238 P239 P240 L281 V284 T285M238-F243 HydrophobicContact CB-CD1 3.9Å; M238-F243 HydrophobicContact CE-CB 4.03Å; P239-F243 WeakPolarHBondContact O-CD1 3.25Å; P239-F243 WeakPolarHBondContact O-CE1 3.46Å; P240-F243 HydrophobicContact CB-CZ 4.41Å; P240-F243 PolarHBondContact O-N 3.12Å; F243-L281 HydrophobicContact CD2-CD1 4.09Å; F243-L281 HydrophobicContact CD2-CD2 4.29Å; F243-L281 HydrophobicContact CD2-CG 3.73Å; F243-L281 HydrophobicContact CE2-CD1 4.46Å; F243-L281 HydrophobicContact CE2-CD2 3.97Å; F243-L281 HydrophobicContact CE2-CG 3.6Å; F243-L281 HydrophobicContact CG-CG 4.4Å; F243-L281 HydrophobicContact CZ-CG 4.14Å; F243-V284 HydrophobicContact CE1-CG1 4.23Å; F243-V284 HydrophobicContact CZ-CB 4.45Å; F243-V284 HydrophobicContact CZ-CG1 4.02Å; F243-T285 WeakPolarHBondContact CE2-OG1 3.28Å
244M78.7Confident90Very high110 Ų11031.5 Ų31.554%0.54217%0.17SC..Hα-helixtrans-87.3-46.1174-66.8176.157.800112.2P240 T285P240-M244 HydrophobicContact CB-SD 4.08Å; P240-M244 VanDerWaalsContact O-CB 3.28Å; P240-M244 WeakPolarHBondContact O-CB 3.32Å; P240-M244 WeakPolarHBondContact O-CG 3.39Å; P240-M244 PolarHBondContact O-N 3.2Å; M244-T285 HydrophobicContact SD-CG2 3.84Å
245E78.9Confident90.5Very high137 Ų13730.9 Ų30.964%0.6417%0.166SC*.THydrogen-bonded Turntrans-116.1-10.9-169.6-62.2176.7-155.600112.8E241 I247E241-E245 CarbonylContact O-C 3.52Å; E241-E245 WeakPolarHBondContact O-CA 3.23Å; E241-E245 WeakPolarHBondContact O-CB 3.36Å; E241-E245 PolarHBondContact O-N 2.66Å; E241-E245 VanDerWaalsContact O-N 3.07Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 HydrophobicContact CB-CD1 3.99Å; E245-I247 HydrophobicContact CB-CG1 3.92Å; E245-I247 VanDerWaalsContact OE2-CD1 3.28Å; E245-I247 WeakPolarHBondContact OE2-CD1 3.47Å
246G80.1Confident90.9Very high47 Ų4729.9 Ų29.949%0.48516%0.16SC..  trans72.521.1-176.400000113.3E241 F248E241-G246 PolarHBondContact O-N 3.44Å; G246-F248 WeakPolarHBondContact O-CD2 3.4Å; G246-F248 WeakPolarHBondContact O-CE2 3.41Å
247I82.8Confident91Very high79 Ų7929.4 Ų29.441%0.40516%0.158SC..  trans-85131.1-179.7-62.6178.7000109.7E241 A242 E245 T249E241-I247 HydrophobicContact CB-CB 4.26Å; E241-I247 HydrophobicContact CG-CB 4.13Å; E241-I247 HydrophobicContact CG-CG2 4.27Å; E241-I247 PolarHBondContact O-N 3.39Å; E241-I247 VanDerWaalsContact O-N 3.07Å; A242-I247 VanDerWaalsContact CA-O 3.25Å; A242-I247 WeakPolarHBondContact CA-O 3.42Å; A242-I247 WeakPolarHBondContact CB-O 3.42Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 HydrophobicContact CB-CD1 3.99Å; E245-I247 HydrophobicContact CB-CG1 3.92Å; E245-I247 VanDerWaalsContact OE2-CD1 3.28Å; E245-I247 WeakPolarHBondContact OE2-CD1 3.47Å; I247-T249 HydrophobicContact CG2-CG2 4.43Å
248F86Confident91.1Very high37 Ų3728.6 Ų28.616%0.16216%0.155CC..  trans-130.7133.1178.3-65.3-99.3000110.2I188 R190 M238 A242 G246 T252I188-F248 HydrophobicContact CD1-CB 4.44Å; I188-F248 WeakPolarHBondContact CD1-O 3.46Å; I188-F248 HydrophobicContact CG2-CB 4.39Å; R190-F248 HydrophobicContact CB-CD1 4.26Å; R190-F248 HydrophobicContact CB-CE1 4.28Å; R190-F248 HydrophobicContact CG-CD1 3.64Å; R190-F248 HydrophobicContact CG-CE1 4.06Å; R190-F248 HydrophobicContact CG-CG 4.38Å; R190-F248 VanDerWaalsContact NE-CG 3.33Å; M238-F248 HydrophobicContact CE-CE1 4.21Å; M238-F248 HydrophobicContact CE-CZ 3.97Å; A242-F248 HydrophobicContact CB-CD1 4.26Å; A242-F248 HydrophobicContact CB-CE1 3.94Å; A242-F248 HydrophobicContact CB-CZ 4.1Å; G246-F248 WeakPolarHBondContact O-CD2 3.4Å; G246-F248 WeakPolarHBondContact O-CE2 3.41Å; F248-T252 WeakPolarHBondContact CA-OG1 3.45Å; F248-T252 HydrophobicContact CD1-CG2 3.84Å; F248-T252 HydrophobicContact CE1-CG2 4.42Å
249T90Very high91.3Very high53 Ų5328.4 Ų28.433%0.32515%0.154SC..  trans-145.8177.2176.865.50000110I247 K251 T252I247-T249 HydrophobicContact CG2-CG2 4.43Å; T249-K251 PolarHBondContact O-N 3.38Å; T249-K251 VanDerWaalsContact O-N 3.14Å; T249-K251 WeakPolarHBondContact OG1-CB 3.45Å; T249-K251 PolarHBondContact OG1-N 3.45Å; T249-T252 PolarHBondContact N-OG1 3.38Å; T249-T252 WeakPolarHBondContact O-CA 3.42Å; T249-T252 WeakPolarHBondContact O-CB 3.49Å; T249-T252 PolarHBondContact O-N 3.46Å; T249-T252 PolarHBondContact O-OG1 2.67Å
250S94Very high91.5Very high20 Ų2028.4 Ų28.414%0.1415%0.154CC..Hα-helixtrans-58.7-24.1170-39.90000113E183 T252 D253 T254E183-S250 WeakPolarHBondContact OE1-CB 3.49Å; S250-T252 PolarHBondContact O-N 2.96Å; S250-D253 PolarHBondContact O-N 3.5Å; S250-T254 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-OG1 2.8Å
251K97.9Very high91.8Very high44 Ų4428.2 Ų28.219%0.19115%0.153CC..Hα-helixtrans-74.4-12.9172.9-56.8-57.4-160.5790113.2T249 W255 P312 E313 R315T249-K251 PolarHBondContact O-N 3.38Å; T249-K251 VanDerWaalsContact O-N 3.14Å; T249-K251 WeakPolarHBondContact OG1-CB 3.45Å; T249-K251 PolarHBondContact OG1-N 3.45Å; K251-W255 PolarHBondContact O-N 3.17Å; K251-P312 HydrophobicContact CB-CB 3.87Å; K251-P312 HydrophobicContact CG-CB 4.33Å; K251-P312 VanDerWaalsContact CG-O 3.29Å; K251-P312 WeakPolarHBondContact CG-O 3.17Å; K251-P312 PolarHBondContact NZ-O 2.98Å; K251-E313 PolarHBondContact NZ-O 3.08Å; K251-R315 HydrophobicContact CD-CB 4.41Å; K251-R315 WeakPolarHBondContact CE-O 3.36Å; K251-R315 PolarHBondContact NZ-O 2.96Å; K251-R315 WeakPolarHBondContact O-CD 3.41Å; K251-R315 PolarHBondContact O-NH1 2.62Å
252T95.9Very high92.3Very high1 Ų128.2 Ų28.21%0.00615%0.152CC..Hα-helixtrans-75.1-50.1167.4-51.40000110.1P239 A242 F248 T249 S250 T254 W255 S256P239-T252 HydrophobicContact CG-CG2 3.74Å; A242-T252 HydrophobicContact CB-CG2 3.97Å; F248-T252 WeakPolarHBondContact CA-OG1 3.45Å; F248-T252 HydrophobicContact CD1-CG2 3.84Å; F248-T252 HydrophobicContact CE1-CG2 4.42Å; T249-T252 PolarHBondContact N-OG1 3.38Å; T249-T252 WeakPolarHBondContact O-CA 3.42Å; T249-T252 WeakPolarHBondContact O-CB 3.49Å; T249-T252 PolarHBondContact O-N 3.46Å; T249-T252 PolarHBondContact O-OG1 2.67Å; S250-T252 PolarHBondContact O-N 2.96Å; T252-T254 PolarHBondContact O-N 3.14Å; T252-W255 WeakPolarHBondContact O-CB 3.3Å; T252-W255 PolarHBondContact O-N 3.14Å; T252-S256 PolarHBondContact O-N 3.05Å; T252-S256 VanDerWaalsContact O-N 3.11Å; T252-S256 PolarHBondContact O-OG 3.02Å
253D98.1Very high92.9Very high5 Ų528 Ų283%0.02715%0.151CC..Hα-helixtrans-62.5-31.8174.6-67.8-24.9000111.9I188 H189 R190 I192 S250 W255 S256 F257 F318I188-D253 WeakPolarHBondContact CA-OD2 3.31Å; H189-D253 PolarHBondContact N-OD1 3.47Å; H189-D253 PolarHBondContact N-OD2 3.47Å; R190-D253 PolarHBondContact N-OD1 3.35Å; I192-D253 HydrophobicContact CG1-CB 4.22Å; S250-D253 PolarHBondContact O-N 3.5Å; D253-W255 VanDerWaalsContact C-N 3.31Å; D253-W255 PolarHBondContact O-N 3.28Å; D253-S256 PolarHBondContact O-N 3.05Å; D253-F257 WeakPolarHBondContact O-CB 3.47Å; D253-F257 PolarHBondContact O-N 3.48Å; D253-F318 HydrophobicContact CB-CE2 4.17Å; D253-F318 HydrophobicContact CB-CZ 4.2Å
254T98.8Very high93.8Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-57.2-41.7171.5-65.80000112.7S250 T252 G258 S307 R315 P316 I321S250-T254 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-OG1 2.8Å; T252-T254 PolarHBondContact O-N 3.14Å; T254-G258 PolarHBondContact O-N 2.91Å; T254-G258 VanDerWaalsContact O-N 3.13Å; T254-S307 VanDerWaalsContact O-CB 3.23Å; T254-S307 WeakPolarHBondContact O-CB 3.39Å; T254-S307 PolarHBondContact O-OG 2.99Å; T254-R315 HydrophobicContact CG2-CB 3.77Å; T254-P316 HydrophobicContact CG2-CG 4.34Å; T254-P316 VanDerWaalsContact CG2-O 3.29Å; T254-P316 WeakPolarHBondContact CG2-O 3.48Å; T254-P316 PolarHBondContact OG1-O 3.44Å; T254-I321 HydrophobicContact CG2-CD1 4.21Å
255W98.8Very high94.7Very high0 Ų021.3 Ų21.30%012%0.118CC..Hα-helixtrans-68.1-47.9176.4175.8-73000110.6M238 P239 K251 T252 D253 F257 G258 V259 V284 R289 W308M238-W255 PolarHBondContact O-NE1 3.36Å; M238-W255 VanDerWaalsContact O-NE1 3.15Å; P239-W255 HydrophobicContact CB-CB 3.91Å; P239-W255 HydrophobicContact CB-CD2 3.51Å; P239-W255 HydrophobicContact CB-CE3 3.67Å; P239-W255 HydrophobicContact CB-CG 3.61Å; P239-W255 HydrophobicContact CB-CZ3 4.36Å; P239-W255 HydrophobicContact CG-CB 4.24Å; P239-W255 HydrophobicContact CG-CG 4.29Å; K251-W255 PolarHBondContact O-N 3.17Å; T252-W255 WeakPolarHBondContact O-CB 3.3Å; T252-W255 PolarHBondContact O-N 3.14Å; D253-W255 VanDerWaalsContact C-N 3.31Å; D253-W255 PolarHBondContact O-N 3.28Å; W255-F257 VanDerWaalsContact C-N 3.26Å; W255-F257 PolarHBondContact O-N 3.43Å; W255-G258 WeakPolarHBondContact O-CA 3.46Å; W255-G258 PolarHBondContact O-N 3.3Å; W255-V259 PolarHBondContact O-N 3.41Å; W255-V259 VanDerWaalsContact O-N 3.1Å; W255-V284 HydrophobicContact CH2-CG1 3.62Å; W255-V284 HydrophobicContact CZ2-CG1 3.44Å; W255-V284 VanDerWaalsContact CZ2-CG1 3.44Å; W255-V284 HydrophobicContact CZ2-CG2 4.35Å; W255-R289 VanDerWaalsContact CH2-CZ 3.47Å; W255-W308 HydrophobicContact CD2-CB 4.47Å; W255-W308 AromaticContact CD2-CD1 3.74Å; W255-W308 HydrophobicContact CD2-CG 4.46Å; W255-W308 AromaticContact CE2-CD1 3.82Å; W255-W308 HydrophobicContact CE3-CB 4.09Å; W255-W308 HydrophobicContact CH2-CB 4.09Å; W255-W308 HydrophobicContact CZ2-CB 4.45Å; W255-W308 HydrophobicContact CZ3-CB 3.9Å; W255-W308 WeakPolarHBondContact CZ3-O 3.45Å; W255-W308 PolarHBondContact O-NE1 2.79Å
256S98.8Very high95.7Very high1 Ų115.4 Ų15.41%0.0079%0.092CC..Hα-helixtrans-58.1-38.4176.6-51.70000111.7W237 T252 D253 G258 V259 L260W237-S256 WeakPolarHBondContact O-CA 3.31Å; W237-S256 WeakPolarHBondContact O-CB 3.3Å; W237-S256 PolarHBondContact O-OG 3.33Å; T252-S256 PolarHBondContact O-N 3.05Å; T252-S256 VanDerWaalsContact O-N 3.11Å; T252-S256 PolarHBondContact O-OG 3.02Å; D253-S256 PolarHBondContact O-N 3.05Å; S256-G258 PolarHBondContact O-N 2.84Å; S256-V259 CarbonylContact O-C 3.56Å; S256-V259 WeakPolarHBondContact O-CA 3.09Å; S256-V259 WeakPolarHBondContact O-CB 3.34Å; S256-V259 PolarHBondContact O-N 3.07Å; S256-V259 VanDerWaalsContact O-N 3.1Å; S256-L260 PolarHBondContact O-N 3.16Å
257F98.9Very high96.5Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-64.2-37.2172.4-175.4-91.9000112.7A172 I175 A176 I192 D253 W255 V259 L260 L261 F318 I321 L325A172-F257 WeakPolarHBondContact O-CE2 3.47Å; A172-F257 WeakPolarHBondContact O-CZ 3.42Å; I175-F257 HydrophobicContact CB-CE2 4.3Å; I175-F257 HydrophobicContact CG2-CD2 4.38Å; I175-F257 HydrophobicContact CG2-CE2 4.26Å; A176-F257 HydrophobicContact CB-CE1 4.48Å; A176-F257 HydrophobicContact CB-CE2 3.91Å; A176-F257 HydrophobicContact CB-CZ 3.72Å; I192-F257 HydrophobicContact CG2-CB 4.3Å; I192-F257 HydrophobicContact CG2-CD2 4.37Å; D253-F257 WeakPolarHBondContact O-CB 3.47Å; D253-F257 PolarHBondContact O-N 3.48Å; W255-F257 VanDerWaalsContact C-N 3.26Å; W255-F257 PolarHBondContact O-N 3.43Å; F257-V259 VanDerWaalsContact C-N 3.27Å; F257-V259 PolarHBondContact O-N 3.21Å; F257-L260 HydrophobicContact CD2-CD2 3.98Å; F257-L260 HydrophobicContact CE2-CD2 4.16Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.18Å; F257-L261 HydrophobicContact CD1-CD1 4.14Å; F257-L261 HydrophobicContact CD1-CG 4.04Å; F257-L261 HydrophobicContact CE1-CD1 3.72Å; F257-L261 HydrophobicContact CE1-CD2 3.8Å; F257-L261 HydrophobicContact CE1-CG 3.57Å; F257-L261 HydrophobicContact CZ-CD2 3.91Å; F257-L261 HydrophobicContact CZ-CG 4.11Å; F257-L261 WeakPolarHBondContact O-CG 3.48Å; F257-L261 PolarHBondContact O-N 3.05Å; F257-F318 HydrophobicContact CB-CE1 3.7Å; F257-F318 HydrophobicContact CB-CZ 3.97Å; F257-F318 HydrophobicContact CD1-CE1 4.24Å; F257-F318 AromaticContact CD2-CE1 3.99Å; F257-F318 HydrophobicContact CD2-CE1 3.99Å; F257-F318 AromaticContact CG-CE1 3.7Å; F257-F318 HydrophobicContact CG-CE1 3.7Å; F257-F318 HydrophobicContact CG-CZ 4.46Å; F257-I321 HydrophobicContact CD1-CD1 4.11Å; F257-I321 HydrophobicContact CD1-CG2 4.01Å; F257-I321 HydrophobicContact CE1-CG2 3.46Å; F257-I321 VanDerWaalsContact CE1-CG2 3.46Å; F257-I321 HydrophobicContact CZ-CG2 4.15Å; F257-L325 HydrophobicContact CE1-CD1 4.37Å; F257-L325 HydrophobicContact CZ-CD1 4.09Å
258G98.9Very high97.2Very high0 Ų09.7 Ų9.70%05%0.052CC..Hα-helixtrans-59.1-38.1169.900000112.6T254 W255 S256 W262 W308T254-G258 PolarHBondContact O-N 2.91Å; T254-G258 VanDerWaalsContact O-N 3.13Å; W255-G258 WeakPolarHBondContact O-CA 3.46Å; W255-G258 PolarHBondContact O-N 3.3Å; S256-G258 PolarHBondContact O-N 2.84Å; G258-W262 PolarHBondContact O-N 3.09Å; G258-W308 VanDerWaalsContact C-NE1 3.34Å; G258-W308 WeakPolarHBondContact O-CZ2 3.31Å
259V98.9Very high97.7Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-71.5-38.8174.1-176.40000111.7W237 W255 S256 F257 L261 W262 E263 P271 M290 W308W237-V259 VanDerWaalsContact CD1-CG1 3.44Å; W237-V259 HydrophobicContact CD2-CG1 4.37Å; W237-V259 HydrophobicContact CG-CB 4.33Å; W237-V259 HydrophobicContact CG-CG1 3.94Å; W255-V259 PolarHBondContact O-N 3.41Å; W255-V259 VanDerWaalsContact O-N 3.1Å; S256-V259 CarbonylContact O-C 3.56Å; S256-V259 WeakPolarHBondContact O-CA 3.09Å; S256-V259 WeakPolarHBondContact O-CB 3.34Å; S256-V259 PolarHBondContact O-N 3.07Å; S256-V259 VanDerWaalsContact O-N 3.1Å; F257-V259 VanDerWaalsContact C-N 3.27Å; F257-V259 PolarHBondContact O-N 3.21Å; V259-L261 PolarHBondContact O-N 3.23Å; V259-W262 CarbonylContact O-C 3.58Å; V259-W262 WeakPolarHBondContact O-CA 3.37Å; V259-W262 WeakPolarHBondContact O-CB 3.2Å; V259-W262 PolarHBondContact O-N 3.45Å; V259-E263 PolarHBondContact O-N 2.86Å; V259-P271 HydrophobicContact CG1-CB 3.71Å; V259-P271 HydrophobicContact CG1-CG 3.53Å; V259-M290 HydrophobicContact CG1-CE 4.17Å; V259-M290 HydrophobicContact CG2-CE 4.37Å; V259-W308 HydrophobicContact CG2-CZ2 4.34Å
260L98.9Very high98Very high0 Ų013.7 Ų13.70%06%0.064CC..Hα-helixtrans-60.6-41171.7170.864.1000112L146 I175 I192 A194 S256 F257 W262 E263 I264L146-L260 HydrophobicContact CD2-CD1 4.27Å; I175-L260 HydrophobicContact CB-CD2 4.08Å; I175-L260 HydrophobicContact CG1-CD2 4.39Å; I175-L260 HydrophobicContact CG2-CD2 3.55Å; I192-L260 HydrophobicContact CG2-CB 4.24Å; I192-L260 HydrophobicContact CG2-CD2 3.7Å; A194-L260 HydrophobicContact CB-CD1 3.83Å; S256-L260 PolarHBondContact O-N 3.16Å; F257-L260 HydrophobicContact CD2-CD2 3.98Å; F257-L260 HydrophobicContact CE2-CD2 4.16Å; F257-L260 WeakPolarHBondContact O-CB 3.42Å; F257-L260 PolarHBondContact O-N 3.18Å; L260-W262 VanDerWaalsContact C-N 3.26Å; L260-W262 PolarHBondContact O-N 2.99Å; L260-E263 WeakPolarHBondContact O-CB 3.4Å; L260-E263 PolarHBondContact O-N 2.75Å; L260-E263 VanDerWaalsContact O-N 3.16Å; L260-I264 HydrophobicContact CD1-CD1 3.93Å; L260-I264 HydrophobicContact CD1-CG1 4.06Å; L260-I264 HydrophobicContact CD2-CD1 4.47Å; L260-I264 HydrophobicContact CG-CD1 3.84Å; L260-I264 HydrophobicContact CG-CG1 4.39Å; L260-I264 VanDerWaalsContact O-CG1 3.3Å; L260-I264 WeakPolarHBondContact O-CG1 3.2Å; L260-I264 PolarHBondContact O-N 3.18Å
261L98.9Very high98.2Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-57.7-42.4171.3-74.1179.3000110.7A172 F257 V259 I264 F265 I303 M304 L325A172-L261 HydrophobicContact CB-CD2 3.55Å; F257-L261 HydrophobicContact CD1-CD1 4.14Å; F257-L261 HydrophobicContact CD1-CG 4.04Å; F257-L261 HydrophobicContact CE1-CD1 3.72Å; F257-L261 HydrophobicContact CE1-CD2 3.8Å; F257-L261 HydrophobicContact CE1-CG 3.57Å; F257-L261 HydrophobicContact CZ-CD2 3.91Å; F257-L261 HydrophobicContact CZ-CG 4.11Å; F257-L261 WeakPolarHBondContact O-CG 3.48Å; F257-L261 PolarHBondContact O-N 3.05Å; V259-L261 PolarHBondContact O-N 3.23Å; L261-I264 PolarHBondContact O-N 2.98Å; L261-F265 HydrophobicContact CD2-CD2 4.47Å; L261-F265 HydrophobicContact CD2-CE2 4.08Å; L261-F265 VanDerWaalsContact O-CD2 3.31Å; L261-F265 WeakPolarHBondContact O-CD2 3.45Å; L261-F265 PolarHBondContact O-N 2.84Å; L261-I303 HydrophobicContact CD1-CB 3.96Å; L261-I303 HydrophobicContact CD1-CG2 3.64Å; L261-M304 HydrophobicContact CB-CE 4.06Å; L261-M304 HydrophobicContact CB-CG 3.77Å; L261-M304 HydrophobicContact CB-SD 4.41Å; L261-M304 HydrophobicContact CD1-CG 4.07Å; L261-L325 HydrophobicContact CD2-CD2 4.36Å
262W98.9Very high98.2Very high18 Ų1810.9 Ų10.97%0.0685%0.049CC..Hα-helixtrans-64.3-40175.3-165.398.1000112.1G258 V259 L260 S266 P271 P273 M290 D291 P293 M304 W308G258-W262 PolarHBondContact O-N 3.09Å; V259-W262 CarbonylContact O-C 3.58Å; V259-W262 WeakPolarHBondContact O-CA 3.37Å; V259-W262 WeakPolarHBondContact O-CB 3.2Å; V259-W262 PolarHBondContact O-N 3.45Å; L260-W262 VanDerWaalsContact C-N 3.26Å; L260-W262 PolarHBondContact O-N 2.99Å; W262-S266 WeakPolarHBondContact O-CB 3.44Å; W262-S266 PolarHBondContact O-N 3.22Å; W262-S266 PolarHBondContact O-OG 2.83Å; W262-P271 HydrophobicContact CE3-CB 4.42Å; W262-P271 HydrophobicContact CE3-CG 4.34Å; W262-P273 HydrophobicContact CH2-CG 3.76Å; W262-P273 HydrophobicContact CZ2-CG 4.23Å; W262-M290 HydrophobicContact CB-CE 3.65Å; W262-M290 HydrophobicContact CD2-CE 3.86Å; W262-M290 HydrophobicContact CD2-SD 3.69Å; W262-M290 HydrophobicContact CE3-CE 4.4Å; W262-M290 HydrophobicContact CE3-SD 4.07Å; W262-M290 HydrophobicContact CG-CE 3.49Å; W262-M290 VanDerWaalsContact CG-CE 3.49Å; W262-M290 HydrophobicContact CG-SD 3.94Å; W262-M290 HydrophobicContact CZ2-SD 4.38Å; W262-D291 PolarHBondContact NE1-O 3.31Å; W262-P293 HydrophobicContact CD2-CG 4.32Å; W262-P293 HydrophobicContact CG-CG 4.07Å; W262-M304 HydrophobicContact CB-SD 4.03Å; W262-M304 HydrophobicContact CG-SD 4.47Å; W262-W308 HydrophobicContact CB-CH2 4.18Å; W262-W308 HydrophobicContact CB-CZ2 4.15Å; W262-W308 AromaticContact CD1-CH2 3.98Å; W262-W308 HydrophobicContact CG-CH2 4.37Å
263E98.8Very high98.2Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-60.4-44.6171.6-69.4-173.6100.200112.1A194 W237 V259 L260 S266 L267 G268 P271A194-E263 HydrophobicContact CB-CB 3.97Å; A194-E263 HydrophobicContact CB-CG 4.39Å; A194-E263 PolarHBondContact N-OE2 3.24Å; W237-E263 WeakPolarHBondContact CZ2-OE1 3.47Å; W237-E263 PolarHBondContact NE1-OE2 3.48Å; V259-E263 PolarHBondContact O-N 2.86Å; L260-E263 WeakPolarHBondContact O-CB 3.4Å; L260-E263 PolarHBondContact O-N 2.75Å; L260-E263 VanDerWaalsContact O-N 3.16Å; E263-S266 PolarHBondContact O-OG 3.4Å; E263-L267 PolarHBondContact O-N 3.1Å; E263-G268 WeakPolarHBondContact O-CA 3.37Å; E263-G268 PolarHBondContact O-N 3.13Å; E263-P271 HydrophobicContact CG-CG 3.64Å
264I98.8Very high98Very high0 Ų020.2 Ų20.20%011%0.113CC..Hα-helixtrans-63.5-55.1-179.9-70.3167000110.7L146 L150 L168 V171 A172 L260 L261 S266 L267L146-I264 HydrophobicContact CD2-CD1 4.26Å; L146-I264 HydrophobicContact CD2-CG1 4.06Å; L150-I264 HydrophobicContact CD1-CG1 4.39Å; L168-I264 HydrophobicContact CB-CG2 3.85Å; L168-I264 HydrophobicContact CD2-CG2 3.94Å; L168-I264 HydrophobicContact CG-CG2 4.36Å; V171-I264 HydrophobicContact CG1-CD1 4.02Å; V171-I264 HydrophobicContact CG1-CG1 4.4Å; A172-I264 HydrophobicContact CB-CD1 4.02Å; L260-I264 HydrophobicContact CD1-CD1 3.93Å; L260-I264 HydrophobicContact CD1-CG1 4.06Å; L260-I264 HydrophobicContact CD2-CD1 4.47Å; L260-I264 HydrophobicContact CG-CD1 3.84Å; L260-I264 HydrophobicContact CG-CG1 4.39Å; L260-I264 VanDerWaalsContact O-CG1 3.3Å; L260-I264 WeakPolarHBondContact O-CG1 3.2Å; L260-I264 PolarHBondContact O-N 3.18Å; L261-I264 PolarHBondContact O-N 2.98Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 2.88Å; I264-L267 PolarHBondContact O-N 3.49Å
265F98.6Very high97.8Very high5 Ų524.7 Ų24.72%0.02213%0.13CC..Hα-helixtrans-80-8.3-173.8-71.7-94.7000113.7M165 L168 L169 A172 L261 P293 V300 M304M165-F265 HydrophobicContact CG-CE1 4.31Å; M165-F265 HydrophobicContact SD-CD1 3.61Å; M165-F265 HydrophobicContact SD-CE1 3.47Å; M165-F265 WeakPolarHBondContact SD-CE1 3.38Å; L168-F265 HydrophobicContact CB-CD1 4.36Å; L168-F265 HydrophobicContact CB-CE1 3.88Å; L168-F265 HydrophobicContact CB-CE2 4.4Å; L168-F265 HydrophobicContact CB-CZ 3.9Å; L168-F265 HydrophobicContact CD1-CD1 4.02Å; L168-F265 HydrophobicContact CD1-CE1 4.29Å; L168-F265 HydrophobicContact CD1-CG 4.47Å; L169-F265 HydrophobicContact CD2-CE1 4.46Å; L169-F265 HydrophobicContact CD2-CZ 3.84Å; L169-F265 HydrophobicContact CG-CE1 4.35Å; L169-F265 HydrophobicContact CG-CZ 3.95Å; A172-F265 HydrophobicContact CB-CE2 4.28Å; L261-F265 HydrophobicContact CD2-CD2 4.47Å; L261-F265 HydrophobicContact CD2-CE2 4.08Å; L261-F265 VanDerWaalsContact O-CD2 3.31Å; L261-F265 WeakPolarHBondContact O-CD2 3.45Å; L261-F265 PolarHBondContact O-N 2.84Å; F265-P293 HydrophobicContact CB-CG 4.26Å; F265-P293 VanDerWaalsContact O-CB 3.28Å; F265-P293 WeakPolarHBondContact O-CB 3.5Å; F265-V300 HydrophobicContact CD1-CG1 3.99Å; F265-V300 HydrophobicContact CD2-CG1 3.8Å; F265-V300 HydrophobicContact CE1-CG1 3.83Å; F265-V300 HydrophobicContact CE1-CG2 4.16Å; F265-V300 HydrophobicContact CE2-CG1 3.65Å; F265-V300 HydrophobicContact CG-CG1 3.99Å; F265-V300 HydrophobicContact CZ-CG1 3.68Å; F265-V300 HydrophobicContact CZ-CG2 4.32Å; F265-M304 HydrophobicContact CB-CE 3.96Å; F265-M304 HydrophobicContact CD2-CE 4.29Å; F265-M304 HydrophobicContact CG-CE 4.31Å
266S97.9Very high97.5Very high13 Ų1327.4 Ų27.49%0.09115%0.149CC..THydrogen-bonded Turntrans-89.5-3.2163.865.10000114W262 E263 I264 Y269W262-S266 WeakPolarHBondContact O-CB 3.44Å; W262-S266 PolarHBondContact O-N 3.22Å; W262-S266 PolarHBondContact O-OG 2.83Å; E263-S266 PolarHBondContact O-OG 3.4Å; I264-S266 VanDerWaalsContact C-N 3.29Å; I264-S266 PolarHBondContact O-N 2.88Å; S266-Y269 WeakPolarHBondContact O-CD2 3.45Å; S266-Y269 PolarHBondContact OG-N 3.1Å
267L97.4Very high97Very high4 Ų430 Ų302%0.02116%0.163CC..THydrogen-bonded Turntrans61.446.5-172.3-46.7179.1000112.8L150 R154 L163 L168 E263 I264 L339 P340L150-L267 HydrophobicContact CD2-CD2 4.31Å; R154-L267 HydrophobicContact CG-CB 3.96Å; R154-L267 HydrophobicContact CG-CD1 4.25Å; R154-L267 VanDerWaalsContact CZ-O 3.26Å; R154-L267 PolarHBondContact NE-O 3.5Å; R154-L267 PolarHBondContact NH2-O 2.98Å; L163-L267 HydrophobicContact CD2-CD2 4.03Å; L168-L267 HydrophobicContact CD1-CD2 3.9Å; L168-L267 HydrophobicContact CD2-CD2 3.97Å; E263-L267 PolarHBondContact O-N 3.1Å; I264-L267 PolarHBondContact O-N 3.49Å; L267-L339 HydrophobicContact CD2-CD1 4.28Å; L267-P340 HydrophobicContact CD1-CG 4.23Å
268G97.1Very high96.5Very high3 Ų335.1 Ų35.13%0.03119%0.187CC..SBendtrans8029.317000000115R154 E263R154-G268 PolarHBondContact NH2-O 2.75Å; E263-G268 WeakPolarHBondContact O-CA 3.37Å; E263-G268 PolarHBondContact O-N 3.13Å
269Y97.1Very high96.2Very high112 Ų11239.1 Ų39.144%0.43921%0.206SC..PPolyproline II helixtrans-69.9155.4167.3-86.8-110.3000111.1R154 S266 P271R154-Y269 VanDerWaalsContact CZ-CE2 3.46Å; R154-Y269 VanDerWaalsContact NH1-CE2 3.29Å; S266-Y269 WeakPolarHBondContact O-CD2 3.45Å; S266-Y269 PolarHBondContact OG-N 3.1Å; Y269-P271 WeakPolarHBondContact O-CD 3.39Å
270M96.8Very high96Very high61 Ų6139.2 Ų39.230%0.321%0.206SC..PPolyproline II helixtrans-66.7125168.9176.961.775.300109.6K236 W237 W442K236-M270 HydrophobicContact CD-SD 4.1Å; W237-M270 HydrophobicContact CH2-SD 4.04Å; M270-W442 HydrophobicContact CE-CH2 4.24Å
271P98.3Very high95.5Very high0 Ų041.6 Ų41.60%022%0.218CC..SBendtrans-53.5148.5173.1-29.838.1000112.8K236 W237 V259 W262 E263 Y269 M290K236-P271 HydrophobicContact CB-CB 4.46Å; K236-P271 VanDerWaalsContact CD-O 3.29Å; K236-P271 WeakPolarHBondContact CD-O 3.45Å; K236-P271 PolarHBondContact NZ-O 2.8Å; W237-P271 HydrophobicContact CH2-CG 4.42Å; W237-P271 HydrophobicContact CZ2-CG 3.75Å; V259-P271 HydrophobicContact CG1-CB 3.71Å; V259-P271 HydrophobicContact CG1-CG 3.53Å; W262-P271 HydrophobicContact CE3-CB 4.42Å; W262-P271 HydrophobicContact CE3-CG 4.34Å; E263-P271 HydrophobicContact CG-CG 3.64Å; Y269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-M290 HydrophobicContact CB-CE 4.2Å; P271-M290 HydrophobicContact CB-SD 3.83Å
272Y97.8Very high95.2Very high6 Ų646 Ų462%0.02424%0.239CC..SBendtrans47.471.8-173.5-54.1-95.6000111.4K236 R275 V280 F283 V284 M290K236-Y272 HydrophobicContact CB-CD2 4.24Å; K236-Y272 HydrophobicContact CG-CD2 4.49Å; K236-Y272 PolarHBondContact NZ-O 2.84Å; K236-Y272 WeakPolarHBondContact O-CE2 3.39Å; Y272-R275 PolarHBondContact O-N 3.32Å; Y272-V280 HydrophobicContact CD1-CG1 4.09Å; Y272-V280 HydrophobicContact CD1-CG2 4.04Å; Y272-V280 HydrophobicContact CD2-CG1 3.79Å; Y272-V280 HydrophobicContact CD2-CG2 4.03Å; Y272-V280 HydrophobicContact CE1-CG1 4.18Å; Y272-V280 HydrophobicContact CE2-CG1 3.91Å; Y272-V280 HydrophobicContact CG-CB 4.4Å; Y272-V280 HydrophobicContact CG-CG1 3.91Å; Y272-V280 HydrophobicContact CG-CG2 3.55Å; Y272-F283 AromaticContact CD1-CD1 3.93Å; Y272-F283 HydrophobicContact CD1-CD1 3.93Å; Y272-F283 HydrophobicContact CD1-CE1 4.06Å; Y272-F283 AromaticContact CE1-CD1 3.89Å; Y272-F283 HydrophobicContact CE1-CD1 3.89Å; Y272-F283 AromaticContact CE1-CE1 3.99Å; Y272-F283 HydrophobicContact CE1-CE1 3.99Å; Y272-V284 HydrophobicContact CE1-CG2 3.69Å; Y272-V284 WeakPolarHBondContact OH-CG2 3.25Å; Y272-M290 HydrophobicContact CD1-CG 3.53Å; Y272-M290 HydrophobicContact CD1-SD 4.23Å; Y272-M290 HydrophobicContact CD2-CE 4.4Å; Y272-M290 HydrophobicContact CD2-CG 4.07Å; Y272-M290 HydrophobicContact CD2-SD 3.68Å; Y272-M290 HydrophobicContact CE1-CG 3.5Å; Y272-M290 VanDerWaalsContact CE1-CG 3.5Å; Y272-M290 HydrophobicContact CE1-SD 4.35Å; Y272-M290 HydrophobicContact CE2-CE 3.95Å; Y272-M290 HydrophobicContact CE2-CG 4.02Å; Y272-M290 HydrophobicContact CE2-SD 3.79Å; Y272-M290 HydrophobicContact CG-CG 3.81Å; Y272-M290 HydrophobicContact CG-SD 3.89Å; Y272-M290 PolarHBondContact N-SD 3.38Å
273P95.6Very high95.1Very high70 Ų7047.8 Ų47.846%0.45525%0.248SC..THydrogen-bonded Turntrans-51.5143.8178.5-27.836.3000112.3W262 R275W262-P273 HydrophobicContact CH2-CG 3.76Å; W262-P273 HydrophobicContact CZ2-CG 4.23Å; P273-R275 PolarHBondContact O-N 2.84Å
274S94.8Very high94.9Very high132 Ų13247.9 Ų47.992%0.92325%0.248SC*.THydrogen-bonded Turntrans57.68.8179.4-51.90000117
275R93.1Very high94.5Very high94 Ų9449.8 Ų49.836%0.35526%0.26SS..  trans-107.6136.4174-65.4-178.8179.4-90.9-2.9112.2K236 Y272 P273 E279 V280K236-R275 VanDerWaalsContact CE-O 3.26Å; K236-R275 WeakPolarHBondContact CE-O 3.32Å; K236-R275 PolarHBondContact NZ-O 2.88Å; Y272-R275 PolarHBondContact O-N 3.32Å; P273-R275 PolarHBondContact O-N 2.84Å; R275-E279 HydrophobicContact CB-CB 4.12Å; R275-E279 HydrophobicContact CG-CB 4.38Å; R275-V280 HydrophobicContact CB-CG2 3.7Å
276S92.7Very high94.4Very high56 Ų5656.2 Ų56.239%0.39229%0.294SS..  trans-71.9170.2166.270.30000112.2Q278 E279 V280S276-Q278 VanDerWaalsContact C-N 3.27Å; S276-Q278 PolarHBondContact O-N 3.46Å; S276-E279 WeakPolarHBondContact CB-OE2 3.23Å; S276-E279 PolarHBondContact N-OE2 3.14Å; S276-E279 PolarHBondContact O-N 3.35Å; S276-E279 WeakPolarHBondContact OG-CG 3.38Å; S276-E279 PolarHBondContact OG-N 3.43Å; S276-E279 PolarHBondContact OG-OE2 3Å; S276-V280 WeakPolarHBondContact O-CG2 3.48Å; S276-V280 PolarHBondContact O-N 2.67Å
277N87.9Confident94.2Very high57 Ų5757.8 Ų57.831%0.30531%0.312SS..Hα-helixtrans-62-33.3178.8-71.63.7000112.9V235 L281V235-N277 HydrophobicContact CB-CB 4.07Å; V235-N277 HydrophobicContact CG1-CB 4.22Å; V235-N277 HydrophobicContact CG2-CB 4.25Å; N277-L281 WeakPolarHBondContact O-CB 3.06Å; N277-L281 PolarHBondContact O-N 2.65Å
278Q88.6Confident94.2Very high107 Ų10758.3 Ų58.350%0.532%0.319SS..Hα-helixtrans-69.1-47177.8-175.961.532.300111.1S276 V280 L281 E282S276-Q278 VanDerWaalsContact C-N 3.27Å; S276-Q278 PolarHBondContact O-N 3.46Å; Q278-V280 PolarHBondContact O-N 3.24Å; Q278-L281 WeakPolarHBondContact O-CB 3.36Å; Q278-L281 PolarHBondContact O-N 3.32Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.37Å; Q278-E282 PolarHBondContact NE2-OE1 2.86Å; Q278-E282 PolarHBondContact O-N 3.38Å
279E94.3Very high94.3Very high84 Ų8460.4 Ų60.439%0.39333%0.326SS..Hα-helixtrans-65.8-27.4177.3-65.9162.4100.400112.7R275 S276 F283R275-E279 HydrophobicContact CB-CB 4.12Å; R275-E279 HydrophobicContact CG-CB 4.38Å; S276-E279 WeakPolarHBondContact CB-OE2 3.23Å; S276-E279 PolarHBondContact N-OE2 3.14Å; S276-E279 PolarHBondContact O-N 3.35Å; S276-E279 WeakPolarHBondContact OG-CG 3.38Å; S276-E279 PolarHBondContact OG-N 3.43Å; S276-E279 PolarHBondContact OG-OE2 3Å; E279-F283 WeakPolarHBondContact O-CB 3.37Å; E279-F283 PolarHBondContact O-N 2.74Å; E279-F283 VanDerWaalsContact O-N 3.09Å
280V93.4Very high94.4Very high2 Ų255.5 Ų55.51%0.01231%0.307CS..Hα-helixtrans-72.9-45.2171.7172.60000111.1K236 Y272 R275 S276 Q278 E282 F283 V284K236-V280 HydrophobicContact CD-CG2 4.48Å; K236-V280 HydrophobicContact CG-CG1 4.34Å; K236-V280 HydrophobicContact CG-CG2 4.25Å; Y272-V280 HydrophobicContact CD1-CG1 4.09Å; Y272-V280 HydrophobicContact CD1-CG2 4.04Å; Y272-V280 HydrophobicContact CD2-CG1 3.79Å; Y272-V280 HydrophobicContact CD2-CG2 4.03Å; Y272-V280 HydrophobicContact CE1-CG1 4.18Å; Y272-V280 HydrophobicContact CE2-CG1 3.91Å; Y272-V280 HydrophobicContact CG-CB 4.4Å; Y272-V280 HydrophobicContact CG-CG1 3.91Å; Y272-V280 HydrophobicContact CG-CG2 3.55Å; R275-V280 HydrophobicContact CB-CG2 3.7Å; S276-V280 WeakPolarHBondContact O-CG2 3.48Å; S276-V280 PolarHBondContact O-N 2.67Å; Q278-V280 PolarHBondContact O-N 3.24Å; V280-E282 VanDerWaalsContact C-N 3.35Å; V280-E282 PolarHBondContact O-N 3.11Å; V280-F283 PolarHBondContact O-N 2.7Å; V280-V284 HydrophobicContact CG1-CG2 3.96Å; V280-V284 VanDerWaalsContact O-CB 3.23Å; V280-V284 WeakPolarHBondContact O-CB 3.4Å; V280-V284 VanDerWaalsContact O-CG2 3.29Å; V280-V284 WeakPolarHBondContact O-CG2 3.18Å; V280-V284 PolarHBondContact O-N 2.83Å
281L89.4Confident94.4Very high49 Ų4958.9 Ų58.926%0.25733%0.326SS..Hα-helixtrans-54.2-52.2176.6-172.9162.7000110.4V235 F243 N277 Q278 T285V235-L281 HydrophobicContact CG1-CB 4.4Å; F243-L281 HydrophobicContact CD2-CD1 4.09Å; F243-L281 HydrophobicContact CD2-CD2 4.29Å; F243-L281 HydrophobicContact CD2-CG 3.73Å; F243-L281 HydrophobicContact CE2-CD1 4.46Å; F243-L281 HydrophobicContact CE2-CD2 3.97Å; F243-L281 HydrophobicContact CE2-CG 3.6Å; F243-L281 HydrophobicContact CG-CG 4.4Å; F243-L281 HydrophobicContact CZ-CG 4.14Å; N277-L281 WeakPolarHBondContact O-CB 3.06Å; N277-L281 PolarHBondContact O-N 2.65Å; Q278-L281 WeakPolarHBondContact O-CB 3.36Å; Q278-L281 PolarHBondContact O-N 3.32Å; L281-T285 VanDerWaalsContact O-CB 3.31Å; L281-T285 WeakPolarHBondContact O-CB 3.31Å; L281-T285 PolarHBondContact O-N 3.15Å; L281-T285 PolarHBondContact O-OG1 3.49Å
282E91.8Very high94.4Very high94 Ų9461.9 Ų61.944%0.43935%0.346SS..Hα-helixtrans-63.5-47.2178.7-69.8168.9-160.600112.3Q278 V280 V284 T285 N286Q278-E282 WeakPolarHBondContact CG-OE1 3.37Å; Q278-E282 PolarHBondContact NE2-OE1 2.86Å; Q278-E282 PolarHBondContact O-N 3.38Å; V280-E282 VanDerWaalsContact C-N 3.35Å; V280-E282 PolarHBondContact O-N 3.11Å; E282-V284 PolarHBondContact O-N 2.73Å; E282-T285 PolarHBondContact O-N 3.13Å; E282-N286 WeakPolarHBondContact O-CB 3.05Å; E282-N286 VanDerWaalsContact O-CG 3.3Å; E282-N286 PolarHBondContact O-N 3.42Å; E282-N286 PolarHBondContact O-ND2 3.23Å
283F96.5Very high94.5Very high55 Ų5562 Ų6224%0.24135%0.347CS..Hα-helixtrans-61.1-45.4179.4177.6-112000112.5Y272 E279 V280 N286 G288 R289Y272-F283 AromaticContact CD1-CD1 3.93Å; Y272-F283 HydrophobicContact CD1-CD1 3.93Å; Y272-F283 HydrophobicContact CD1-CE1 4.06Å; Y272-F283 AromaticContact CE1-CD1 3.89Å; Y272-F283 HydrophobicContact CE1-CD1 3.89Å; Y272-F283 AromaticContact CE1-CE1 3.99Å; Y272-F283 HydrophobicContact CE1-CE1 3.99Å; E279-F283 WeakPolarHBondContact O-CB 3.37Å; E279-F283 PolarHBondContact O-N 2.74Å; E279-F283 VanDerWaalsContact O-N 3.09Å; V280-F283 PolarHBondContact O-N 2.7Å; F283-N286 PolarHBondContact O-N 3.46Å; F283-G288 VanDerWaalsContact CE1-C 3.47Å; F283-G288 VanDerWaalsContact O-CA 3.25Å; F283-G288 WeakPolarHBondContact O-CA 3.5Å; F283-G288 PolarHBondContact O-N 3.17Å; F283-R289 WeakPolarHBondContact CE1-O 3.49Å; F283-R289 VanDerWaalsContact CZ-O 3.28Å; F283-R289 WeakPolarHBondContact CZ-O 3.29Å
284V95.4Very high94.4Very high1 Ų164.6 Ų64.61%0.00635%0.351CS..Hα-helixtrans-67.2-41.5-179.7164.10000111.9P240 F243 W255 Y272 V280 E282 G287 R289P240-V284 HydrophobicContact CG-CG1 4.06Å; F243-V284 HydrophobicContact CE1-CG1 4.23Å; F243-V284 HydrophobicContact CZ-CB 4.45Å; F243-V284 HydrophobicContact CZ-CG1 4.02Å; W255-V284 HydrophobicContact CH2-CG1 3.62Å; W255-V284 HydrophobicContact CZ2-CG1 3.44Å; W255-V284 VanDerWaalsContact CZ2-CG1 3.44Å; W255-V284 HydrophobicContact CZ2-CG2 4.35Å; Y272-V284 HydrophobicContact CE1-CG2 3.69Å; Y272-V284 WeakPolarHBondContact OH-CG2 3.25Å; V280-V284 HydrophobicContact CG1-CG2 3.96Å; V280-V284 VanDerWaalsContact O-CB 3.23Å; V280-V284 WeakPolarHBondContact O-CB 3.4Å; V280-V284 VanDerWaalsContact O-CG2 3.29Å; V280-V284 WeakPolarHBondContact O-CG2 3.18Å; V280-V284 PolarHBondContact O-N 2.83Å; E282-V284 PolarHBondContact O-N 2.73Å; V284-G287 PolarHBondContact O-N 3.23Å; V284-R289 PolarHBondContact O-NH1 2.93Å
285T90.8Very high94.4Very high41 Ų4161.2 Ų61.225%0.25232%0.323SS..Hα-helixtrans-62-44.8176.6-55.80000110.7F243 M244 L281 E282 G287F243-T285 WeakPolarHBondContact CE2-OG1 3.28Å; M244-T285 HydrophobicContact SD-CG2 3.84Å; L281-T285 VanDerWaalsContact O-CB 3.31Å; L281-T285 WeakPolarHBondContact O-CB 3.31Å; L281-T285 PolarHBondContact O-N 3.15Å; L281-T285 PolarHBondContact O-OG1 3.49Å; E282-T285 PolarHBondContact O-N 3.13Å; T285-G287 PolarHBondContact O-N 3.2Å
286N95.1Very high94.7Very high140 Ų14057.6 Ų57.675%0.74931%0.312SS*.THydrogen-bonded Turntrans-73.718.5175.9-67.5-37.4000114.1E282 F283 G288E282-N286 WeakPolarHBondContact O-CB 3.05Å; E282-N286 VanDerWaalsContact O-CG 3.3Å; E282-N286 PolarHBondContact O-N 3.42Å; E282-N286 PolarHBondContact O-ND2 3.23Å; F283-N286 PolarHBondContact O-N 3.46Å; N286-G288 VanDerWaalsContact C-N 3.28Å; N286-G288 PolarHBondContact O-N 2.97Å
287G95.1Very high94.9Very high45 Ų4555.4 Ų55.446%0.46430%0.296SS..THydrogen-bonded Turntrans80.4-3.5176.100000115.7V284 T285 R289V284-G287 PolarHBondContact O-N 3.23Å; T285-G287 PolarHBondContact O-N 3.2Å; G287-R289 VanDerWaalsContact C-NH1 3.32Å; G287-R289 PolarHBondContact O-NH1 3.44Å
288G97.4Very high95.4Very high15 Ų1554.9 Ų54.916%0.15530%0.304CS..  trans-64.1142.8177.600000113F283 N286F283-G288 VanDerWaalsContact CE1-C 3.47Å; F283-G288 VanDerWaalsContact O-CA 3.25Å; F283-G288 WeakPolarHBondContact O-CA 3.5Å; F283-G288 PolarHBondContact O-N 3.17Å; N286-G288 VanDerWaalsContact C-N 3.28Å; N286-G288 PolarHBondContact O-N 2.97Å
289R98.3Very high95.9Very high48 Ų4851.8 Ų51.818%0.18129%0.293CS..  trans-133.3161-179.3-59.5-61.3178.1-102.87110.1W255 F283 V284 G287 W308W255-R289 VanDerWaalsContact CH2-CZ 3.47Å; F283-R289 WeakPolarHBondContact CE1-O 3.49Å; F283-R289 VanDerWaalsContact CZ-O 3.28Å; F283-R289 WeakPolarHBondContact CZ-O 3.29Å; V284-R289 PolarHBondContact O-NH1 2.93Å; G287-R289 VanDerWaalsContact C-NH1 3.32Å; G287-R289 PolarHBondContact O-NH1 3.44Å; R289-W308 HydrophobicContact CB-CE3 4.2Å; R289-W308 HydrophobicContact CG-CE3 4.49Å; R289-W308 VanDerWaalsContact CZ-O 3.32Å; R289-W308 PolarHBondContact NE-O 3.34Å; R289-W308 PolarHBondContact NH2-O 2.88Å
290M98.6Very high96.1Very high9 Ų947.8 Ų47.84%0.04427%0.274CS..PPolyproline II helixtrans-73.5138.2175-63.5-175.1-73.700110.4V259 W262 P271 Y272 Y301 W308V259-M290 HydrophobicContact CG1-CE 4.17Å; V259-M290 HydrophobicContact CG2-CE 4.37Å; W262-M290 HydrophobicContact CB-CE 3.65Å; W262-M290 HydrophobicContact CD2-CE 3.86Å; W262-M290 HydrophobicContact CD2-SD 3.69Å; W262-M290 HydrophobicContact CE3-CE 4.4Å; W262-M290 HydrophobicContact CE3-SD 4.07Å; W262-M290 HydrophobicContact CG-CE 3.49Å; W262-M290 VanDerWaalsContact CG-CE 3.49Å; W262-M290 HydrophobicContact CG-SD 3.94Å; W262-M290 HydrophobicContact CZ2-SD 4.38Å; P271-M290 HydrophobicContact CB-CE 4.2Å; P271-M290 HydrophobicContact CB-SD 3.83Å; Y272-M290 HydrophobicContact CD1-CG 3.53Å; Y272-M290 HydrophobicContact CD1-SD 4.23Å; Y272-M290 HydrophobicContact CD2-CE 4.4Å; Y272-M290 HydrophobicContact CD2-CG 4.07Å; Y272-M290 HydrophobicContact CD2-SD 3.68Å; Y272-M290 HydrophobicContact CE1-CG 3.5Å; Y272-M290 VanDerWaalsContact CE1-CG 3.5Å; Y272-M290 HydrophobicContact CE1-SD 4.35Å; Y272-M290 HydrophobicContact CE2-CE 3.95Å; Y272-M290 HydrophobicContact CE2-CG 4.02Å; Y272-M290 HydrophobicContact CE2-SD 3.79Å; Y272-M290 HydrophobicContact CG-CG 3.81Å; Y272-M290 HydrophobicContact CG-SD 3.89Å; Y272-M290 PolarHBondContact N-SD 3.38Å; M290-Y301 PolarHBondContact O-OH 3.33Å; M290-Y301 VanDerWaalsContact O-OH 3.05Å; M290-W308 HydrophobicContact CB-CH2 4.16Å; M290-W308 HydrophobicContact CB-CZ3 4.39Å; M290-W308 HydrophobicContact CE-CH2 3.62Å; M290-W308 HydrophobicContact CE-CZ2 3.44Å; M290-W308 VanDerWaalsContact CE-CZ2 3.44Å
291D98.4Very high96.4Very high132 Ų13250.3 Ų50.371%0.70628%0.284SS*.PPolyproline II helixtrans-58.1155.3168.2-67.2-62.8000112W262W262-D291 PolarHBondContact NE1-O 3.31Å
292P98.4Very high96.8Very high63 Ų6355.2 Ų55.241%0.40930%0.299SS..PPolyproline II helixtrans-58.3139175.224.4-33.9000111.1C296 Y301P292-C296 HydrophobicContact CB-CB 4.37Å; P292-Y301 HydrophobicContact CB-CD1 4.02Å; P292-Y301 HydrophobicContact CB-CD2 3.75Å; P292-Y301 HydrophobicContact CB-CE1 4.27Å; P292-Y301 HydrophobicContact CB-CE2 4.03Å; P292-Y301 HydrophobicContact CB-CG 3.75Å; P292-Y301 HydrophobicContact CG-CD1 4.4Å; P292-Y301 HydrophobicContact CG-CE1 4.3Å
293P97.9Very high97.2Very high9 Ų950.8 Ų50.86%0.05828%0.279CS..PPolyproline II helixtrans-55.8153169.7-24.132.9000112.3W262 F265 N295 C296 M304W262-P293 HydrophobicContact CD2-CG 4.32Å; W262-P293 HydrophobicContact CG-CG 4.07Å; F265-P293 HydrophobicContact CB-CG 4.26Å; F265-P293 VanDerWaalsContact O-CB 3.28Å; F265-P293 WeakPolarHBondContact O-CB 3.5Å; P293-N295 PolarHBondContact O-N 3.4Å; P293-C296 HydrophobicContact CB-CB 4.03Å; P293-C296 HydrophobicContact CG-CB 4.26Å; P293-C296 WeakPolarHBondContact O-CB 3.39Å; P293-C296 PolarHBondContact O-N 3.06Å; P293-M304 HydrophobicContact CG-CE 4.28Å
294K95.2Very high97.3Very high123 Ų12348.2 Ų48.254%0.53527%0.267SS..THydrogen-bonded Turntrans-55.5128.7177.6-173.6-177.2170.3-168.90109.9C296 P340 V341K294-C296 PolarHBondContact O-N 3.35Å; K294-P340 HydrophobicContact CB-CB 4.11Å; K294-P340 HydrophobicContact CB-CG 4.44Å; K294-P340 HydrophobicContact CD-CB 3.72Å; K294-P340 HydrophobicContact CG-CB 3.85Å; K294-P340 WeakPolarHBondContact O-CG 3.38Å; K294-V341 PolarHBondContact NZ-O 2.85Å
295N95Very high97.4Very high61 Ų6150 Ų5033%0.32628%0.278SS..THydrogen-bonded Turntrans62.314.7-174.5-62.322.9000115.7P293 P297 M337 A338P293-N295 PolarHBondContact O-N 3.4Å; N295-P297 WeakPolarHBondContact O-CD 3.38Å; N295-M337 HydrophobicContact CB-CE 3.78Å; N295-M337 WeakPolarHBondContact O-CG 3.31Å; N295-A338 WeakPolarHBondContact CB-O 3.33Å; N295-A338 PolarHBondContact ND2-O 2.99Å
296C97.8Very high97.8Very high18 Ų1850.9 Ų50.912%0.12228%0.28CS..  trans-67.1125.4175.4-173.70000111.5P292 P293 K294P292-C296 HydrophobicContact CB-CB 4.37Å; P293-C296 HydrophobicContact CB-CB 4.03Å; P293-C296 HydrophobicContact CG-CB 4.26Å; P293-C296 WeakPolarHBondContact O-CB 3.39Å; P293-C296 PolarHBondContact O-N 3.06Å; K294-C296 PolarHBondContact O-N 3.35Å
297P98.2Very high98Very high11 Ų1144.2 Ų44.27%0.07124%0.244CC..  trans-64.1139177.9-23.234.6000112.6M165 N295 P299 V300 Y301 V334 M337M165-P297 HydrophobicContact CE-CG 3.92Å; M165-P297 HydrophobicContact CG-CG 4.27Å; M165-P297 HydrophobicContact SD-CG 4.18Å; N295-P297 WeakPolarHBondContact O-CD 3.38Å; P297-P299 VanDerWaalsContact C-N 3.35Å; P297-V300 HydrophobicContact CB-CG2 4.17Å; P297-V300 HydrophobicContact CG-CG2 4.34Å; P297-V300 WeakPolarHBondContact O-CB 3.35Å; P297-V300 PolarHBondContact O-N 2.87Å; P297-Y301 PolarHBondContact O-N 2.98Å; P297-Y301 VanDerWaalsContact O-N 3.08Å; P297-V334 HydrophobicContact CB-CB 4.3Å; P297-V334 HydrophobicContact CB-CG1 3.89Å; P297-V334 HydrophobicContact CB-CG2 4.09Å; P297-V334 HydrophobicContact CG-CG1 3.93Å; P297-M337 HydrophobicContact CG-CB 4.04Å; P297-M337 HydrophobicContact CG-CG 4.12Å
298G98.4Very high98.2Very high45 Ų4542.1 Ų42.146%0.46422%0.222SC..Hα-helixtrans-51.9-41-179.900000115.2V300 R302G298-V300 PolarHBondContact O-N 3.07Å; G298-R302 PolarHBondContact O-N 2.9Å
299P98.7Very high98.2Very high42 Ų4245.2 Ų45.227%0.27323%0.233SC..Hα-helixtrans-59.9-39.7172.9-28.839000113.9P297 R302 I303 V334P297-P299 VanDerWaalsContact C-N 3.35Å; P299-R302 VanDerWaalsContact O-CB 3.31Å; P299-R302 WeakPolarHBondContact O-CB 3.24Å; P299-R302 PolarHBondContact O-N 3.5Å; P299-I303 PolarHBondContact O-N 3.23Å; P299-V334 HydrophobicContact CB-CG2 4.05Å; P299-V334 HydrophobicContact CG-CG2 3.66Å
300V98.8Very high98.2Very high0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-70.3-45.2179.6-177.60000111.1L169 F265 P297 G298 R302 I303 M304 C328 V334L169-V300 HydrophobicContact CD2-CG2 4.06Å; F265-V300 HydrophobicContact CD1-CG1 3.99Å; F265-V300 HydrophobicContact CD2-CG1 3.8Å; F265-V300 HydrophobicContact CE1-CG1 3.83Å; F265-V300 HydrophobicContact CE1-CG2 4.16Å; F265-V300 HydrophobicContact CE2-CG1 3.65Å; F265-V300 HydrophobicContact CG-CG1 3.99Å; F265-V300 HydrophobicContact CZ-CG1 3.68Å; F265-V300 HydrophobicContact CZ-CG2 4.32Å; P297-V300 HydrophobicContact CB-CG2 4.17Å; P297-V300 HydrophobicContact CG-CG2 4.34Å; P297-V300 WeakPolarHBondContact O-CB 3.35Å; P297-V300 PolarHBondContact O-N 2.87Å; G298-V300 PolarHBondContact O-N 3.07Å; V300-R302 PolarHBondContact O-N 3.28Å; V300-I303 WeakPolarHBondContact O-CB 3.42Å; V300-I303 PolarHBondContact O-N 3.07Å; V300-M304 HydrophobicContact CG1-CE 4.1Å; V300-M304 PolarHBondContact O-N 3.02Å; V300-C328 HydrophobicContact CG2-CB 4.38Å; V300-V334 HydrophobicContact CG2-CG1 4.04Å
301Y98.9Very high98.1Very high56 Ų5651 Ų5122%0.2226%0.261CS..Hα-helixtrans-63.7-27175.5-178.5-118.6000112.8M290 P292 P297 I303 M304 T305 W308M290-Y301 PolarHBondContact O-OH 3.33Å; M290-Y301 VanDerWaalsContact O-OH 3.05Å; P292-Y301 HydrophobicContact CB-CD1 4.02Å; P292-Y301 HydrophobicContact CB-CD2 3.75Å; P292-Y301 HydrophobicContact CB-CE1 4.27Å; P292-Y301 HydrophobicContact CB-CE2 4.03Å; P292-Y301 HydrophobicContact CB-CG 3.75Å; P292-Y301 HydrophobicContact CG-CD1 4.4Å; P292-Y301 HydrophobicContact CG-CE1 4.3Å; P297-Y301 PolarHBondContact O-N 2.98Å; P297-Y301 VanDerWaalsContact O-N 3.08Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-I303 PolarHBondContact O-N 3.3Å; Y301-M304 HydrophobicContact CD2-CB 4.34Å; Y301-M304 HydrophobicContact CD2-SD 3.89Å; Y301-M304 PolarHBondContact O-N 3.31Å; Y301-T305 HydrophobicContact CD1-CG2 4.29Å; Y301-T305 HydrophobicContact CD2-CG2 4.31Å; Y301-T305 HydrophobicContact CE1-CG2 3.75Å; Y301-T305 HydrophobicContact CE2-CG2 3.77Å; Y301-T305 VanDerWaalsContact CZ-CG2 3.44Å; Y301-T305 PolarHBondContact O-N 3.37Å; Y301-T305 PolarHBondContact O-OG1 2.94Å; Y301-W308 HydrophobicContact CE2-CZ3 4.22Å
302R98.9Very high98Very high151 Ų15146.1 Ų46.157%0.5724%0.237SC*.Hα-helixtrans-62.2-38170.7-160.8-176-53.2-69.9-3.4112.1G298 P299 V300 T305 Q306G298-R302 PolarHBondContact O-N 2.9Å; P299-R302 VanDerWaalsContact O-CB 3.31Å; P299-R302 WeakPolarHBondContact O-CB 3.24Å; P299-R302 PolarHBondContact O-N 3.5Å; V300-R302 PolarHBondContact O-N 3.28Å; R302-T305 WeakPolarHBondContact CA-OG1 3.47Å; R302-T305 PolarHBondContact O-OG1 2.79Å; R302-Q306 WeakPolarHBondContact O-CB 3.29Å; R302-Q306 WeakPolarHBondContact O-CG 3.08Å; R302-Q306 PolarHBondContact O-N 3.37Å; R302-Q306 PolarHBondContact O-OE1 3.3Å
303I98.9Very high98Very high2 Ų249.4 Ų49.41%0.0125%0.247CC..Hα-helixtrans-63.4-47.4175-51.4175.1000109.9L261 P299 V300 Y301 T305 Q306 S307 I321 R324 L325L261-I303 HydrophobicContact CD1-CB 3.96Å; L261-I303 HydrophobicContact CD1-CG2 3.64Å; P299-I303 PolarHBondContact O-N 3.23Å; V300-I303 WeakPolarHBondContact O-CB 3.42Å; V300-I303 PolarHBondContact O-N 3.07Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-I303 PolarHBondContact O-N 3.3Å; I303-T305 PolarHBondContact O-N 2.92Å; I303-Q306 PolarHBondContact O-N 3.16Å; I303-S307 PolarHBondContact O-N 3.42Å; I303-I321 HydrophobicContact CG2-CG2 4.29Å; I303-R324 HydrophobicContact CD1-CB 3.68Å; I303-R324 HydrophobicContact CG1-CB 3.88Å; I303-L325 HydrophobicContact CD1-CD2 3.72Å; I303-L325 HydrophobicContact CD1-CG 3.99Å
304M98.9Very high98Very high0 Ų053.9 Ų53.90%027%0.27CS..Hα-helixtrans-56.2-51.5177.6-53.6-178-165.500111.8L261 W262 F265 P293 V300 Y301 Q306 S307 W308L261-M304 HydrophobicContact CB-CE 4.06Å; L261-M304 HydrophobicContact CB-CG 3.77Å; L261-M304 HydrophobicContact CB-SD 4.41Å; L261-M304 HydrophobicContact CD1-CG 4.07Å; W262-M304 HydrophobicContact CB-SD 4.03Å; W262-M304 HydrophobicContact CG-SD 4.47Å; F265-M304 HydrophobicContact CB-CE 3.96Å; F265-M304 HydrophobicContact CD2-CE 4.29Å; F265-M304 HydrophobicContact CG-CE 4.31Å; P293-M304 HydrophobicContact CG-CE 4.28Å; V300-M304 HydrophobicContact CG1-CE 4.1Å; V300-M304 PolarHBondContact O-N 3.02Å; Y301-M304 HydrophobicContact CD2-CB 4.34Å; Y301-M304 HydrophobicContact CD2-SD 3.89Å; Y301-M304 PolarHBondContact O-N 3.31Å; M304-Q306 VanDerWaalsContact C-N 3.29Å; M304-Q306 PolarHBondContact O-N 3.33Å; M304-S307 WeakPolarHBondContact O-CB 3.22Å; M304-S307 PolarHBondContact O-N 2.92Å; M304-S307 VanDerWaalsContact O-N 3.14Å; M304-W308 HydrophobicContact CB-CE3 4.26Å; M304-W308 HydrophobicContact CB-CH2 3.72Å; M304-W308 HydrophobicContact CB-CZ2 4.02Å; M304-W308 HydrophobicContact CB-CZ3 3.86Å; M304-W308 HydrophobicContact CG-CH2 4.44Å; M304-W308 VanDerWaalsContact O-CG 3.28Å; M304-W308 PolarHBondContact O-N 2.8Å; M304-W308 HydrophobicContact SD-CH2 4.16Å
305T98.8Very high98.2Very high39 Ų3948.2 Ų48.224%0.23925%0.246CC..Hα-helixtrans-68.6-24.8-178.747.90000113.6Y301 R302 I303 W308 Q309Y301-T305 HydrophobicContact CD1-CG2 4.29Å; Y301-T305 HydrophobicContact CD2-CG2 4.31Å; Y301-T305 HydrophobicContact CE1-CG2 3.75Å; Y301-T305 HydrophobicContact CE2-CG2 3.77Å; Y301-T305 VanDerWaalsContact CZ-CG2 3.44Å; Y301-T305 PolarHBondContact O-N 3.37Å; Y301-T305 PolarHBondContact O-OG1 2.94Å; R302-T305 WeakPolarHBondContact CA-OG1 3.47Å; R302-T305 PolarHBondContact O-OG1 2.79Å; I303-T305 PolarHBondContact O-N 2.92Å; T305-W308 HydrophobicContact CG2-CE3 4.34Å; T305-W308 HydrophobicContact CG2-CZ3 4.47Å; T305-Q309 PolarHBondContact O-NE2 2.68Å
306Q98.8Very high98.3Very high59 Ų5945.8 Ų45.828%0.27623%0.233SC..Hα-helixtrans-77.9-35.6169.4-71.7175-53.900112.4R302 I303 M304 W308 Q309 P316R302-Q306 WeakPolarHBondContact O-CB 3.29Å; R302-Q306 WeakPolarHBondContact O-CG 3.08Å; R302-Q306 PolarHBondContact O-N 3.37Å; R302-Q306 PolarHBondContact O-OE1 3.3Å; I303-Q306 PolarHBondContact O-N 3.16Å; M304-Q306 VanDerWaalsContact C-N 3.29Å; M304-Q306 PolarHBondContact O-N 3.33Å; Q306-W308 PolarHBondContact O-N 2.84Å; Q306-Q309 WeakPolarHBondContact O-CG 3.28Å; Q306-Q309 PolarHBondContact O-N 2.93Å; Q306-P316 VanDerWaalsContact O-CD 3.27Å; Q306-P316 WeakPolarHBondContact O-CD 3.34Å
307S98.9Very high98.4Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-62.8-28.1169-86.50000112.9T254 I303 M304 R315T254-S307 VanDerWaalsContact O-CB 3.23Å; T254-S307 WeakPolarHBondContact O-CB 3.39Å; T254-S307 PolarHBondContact O-OG 2.99Å; I303-S307 PolarHBondContact O-N 3.42Å; M304-S307 WeakPolarHBondContact O-CB 3.22Å; M304-S307 PolarHBondContact O-N 2.92Å; M304-S307 VanDerWaalsContact O-N 3.14Å; S307-R315 WeakPolarHBondContact O-CD 3.14Å
308W98.8Very high98.4Very high2 Ų247.5 Ų47.51%0.00824%0.24CC..THydrogen-bonded Turntrans-98.623.8179.4-50.1-40.1000115.3W255 G258 V259 W262 R289 M290 Y301 M304 T305 Q306W255-W308 HydrophobicContact CD2-CB 4.47Å; W255-W308 AromaticContact CD2-CD1 3.74Å; W255-W308 HydrophobicContact CD2-CG 4.46Å; W255-W308 AromaticContact CE2-CD1 3.82Å; W255-W308 HydrophobicContact CE3-CB 4.09Å; W255-W308 HydrophobicContact CH2-CB 4.09Å; W255-W308 HydrophobicContact CZ2-CB 4.45Å; W255-W308 HydrophobicContact CZ3-CB 3.9Å; W255-W308 WeakPolarHBondContact CZ3-O 3.45Å; W255-W308 PolarHBondContact O-NE1 2.79Å; G258-W308 VanDerWaalsContact C-NE1 3.34Å; G258-W308 WeakPolarHBondContact O-CZ2 3.31Å; V259-W308 HydrophobicContact CG2-CZ2 4.34Å; W262-W308 HydrophobicContact CB-CH2 4.18Å; W262-W308 HydrophobicContact CB-CZ2 4.15Å; W262-W308 AromaticContact CD1-CH2 3.98Å; W262-W308 HydrophobicContact CG-CH2 4.37Å; R289-W308 HydrophobicContact CB-CE3 4.2Å; R289-W308 HydrophobicContact CG-CE3 4.49Å; R289-W308 VanDerWaalsContact CZ-O 3.32Å; R289-W308 PolarHBondContact NE-O 3.34Å; R289-W308 PolarHBondContact NH2-O 2.88Å; M290-W308 HydrophobicContact CB-CH2 4.16Å; M290-W308 HydrophobicContact CB-CZ3 4.39Å; M290-W308 HydrophobicContact CE-CH2 3.62Å; M290-W308 HydrophobicContact CE-CZ2 3.44Å; M290-W308 VanDerWaalsContact CE-CZ2 3.44Å; Y301-W308 HydrophobicContact CE2-CZ3 4.22Å; M304-W308 HydrophobicContact CB-CE3 4.26Å; M304-W308 HydrophobicContact CB-CH2 3.72Å; M304-W308 HydrophobicContact CB-CZ2 4.02Å; M304-W308 HydrophobicContact CB-CZ3 3.86Å; M304-W308 HydrophobicContact CG-CH2 4.44Å; M304-W308 VanDerWaalsContact O-CG 3.28Å; M304-W308 PolarHBondContact O-N 2.8Å; M304-W308 HydrophobicContact SD-CH2 4.16Å; T305-W308 HydrophobicContact CG2-CE3 4.34Å; T305-W308 HydrophobicContact CG2-CZ3 4.47Å; Q306-W308 PolarHBondContact O-N 2.84Å
309Q98.8Very high98.4Very high80 Ų8047.4 Ų47.437%0.37423%0.233SC..  trans-59.4142.7167.6-67.3-54.8-59.500110.4T305 Q306 D314 R315T305-Q309 PolarHBondContact O-NE2 2.68Å; Q306-Q309 WeakPolarHBondContact O-CG 3.28Å; Q306-Q309 PolarHBondContact O-N 2.93Å; Q309-D314 HydrophobicContact CB-CB 3.7Å; Q309-D314 HydrophobicContact CG-CB 3.99Å; Q309-R315 HydrophobicContact CB-CG 4.06Å; Q309-R315 PolarHBondContact O-NE 3.37Å
310H96.6Very high98.4Very high83 Ų8347.1 Ų47.138%0.38423%0.23SC..SBendtrans-64.2-52.4-174.5-172.9106.1000110.2R315H310-R315 PolarHBondContact O-NH2 2.85Å
311Q97.3Very high98.4Very high95 Ų9547.1 Ų47.144%0.44423%0.23SC..SBendtrans-71.6132.4175.7-56.1-55.9-10.100111.2E313 D314Q311-E313 VanDerWaalsContact C-N 3.27Å; Q311-E313 HydrophobicContact CB-CG 4Å; Q311-E313 PolarHBondContact O-N 3.34Å; Q311-D314 PolarHBondContact O-N 3.15Å
312P96.8Very high98.4Very high30 Ų3045.5 Ų45.520%0.19523%0.225CC..THydrogen-bonded Turntrans-58.4-33.4177.9-26.535.6000114.3E241 K251 R315E241-P312 HydrophobicContact CG-CG 4.26Å; K251-P312 HydrophobicContact CB-CB 3.87Å; K251-P312 HydrophobicContact CG-CB 4.33Å; K251-P312 VanDerWaalsContact CG-O 3.29Å; K251-P312 WeakPolarHBondContact CG-O 3.17Å; K251-P312 PolarHBondContact NZ-O 2.98Å; P312-R315 PolarHBondContact O-N 2.9Å
313E97.3Very high98.4Very high132 Ų13244.4 Ų44.462%0.61723%0.226SC*.THydrogen-bonded Turntrans-61.5-43.2178.849.2-94-124.500113K251 Q311 R315K251-E313 PolarHBondContact NZ-O 3.08Å; Q311-E313 VanDerWaalsContact C-N 3.27Å; Q311-E313 HydrophobicContact CB-CG 4Å; Q311-E313 PolarHBondContact O-N 3.34Å; E313-R315 PolarHBondContact O-N 2.85Å
314D98.5Very high98.4Very high103 Ų10347.9 Ų47.955%0.55124%0.239SC*.THydrogen-bonded Turntrans-69.4-18.6-178.8-70.6-37000113.6Q309 Q311Q309-D314 HydrophobicContact CB-CB 3.7Å; Q309-D314 HydrophobicContact CG-CB 3.99Å; Q311-D314 PolarHBondContact O-N 3.15Å
315R98.8Very high98.4Very high4 Ų447.9 Ų47.92%0.01524%0.239CC..SBendtrans-70.4139.9175.8-52.6175.6-163.815510.8109.6E241 K251 T254 S307 Q309 H310 P312 E313E241-R315 IonicContact OE1-CZ 3.74Å; E241-R315 IonicContact OE1-NH1 3.75Å; E241-R315 PolarHBondContact OE1-NH1 2.85Å; E241-R315 IonicContact OE1-NH2 2.61Å; E241-R315 PolarHBondContact OE1-NH2 3.24Å; E241-R315 IonicContact OE2-CZ 2.74Å; E241-R315 IonicContact OE2-NH1 2.65Å; E241-R315 IonicContact OE2-NH2 2.8Å; E241-R315 PolarHBondContact OE2-NH2 2.81Å; K251-R315 HydrophobicContact CD-CB 4.41Å; K251-R315 WeakPolarHBondContact CE-O 3.36Å; K251-R315 PolarHBondContact NZ-O 2.96Å; K251-R315 WeakPolarHBondContact O-CD 3.41Å; K251-R315 PolarHBondContact O-NH1 2.62Å; T254-R315 HydrophobicContact CG2-CB 3.77Å; S307-R315 WeakPolarHBondContact O-CD 3.14Å; Q309-R315 HydrophobicContact CB-CG 4.06Å; Q309-R315 PolarHBondContact O-NE 3.37Å; H310-R315 PolarHBondContact O-NH2 2.85Å; P312-R315 PolarHBondContact O-N 2.9Å; E313-R315 PolarHBondContact O-N 2.85Å
316P98.8Very high98.4Very high10 Ų1048.6 Ų48.67%0.06524%0.242CC..PPolyproline II helixtrans-62.6160.8176.828.2-35.3000112.1T254 Q306 T320 I321T254-P316 HydrophobicContact CG2-CG 4.34Å; T254-P316 VanDerWaalsContact CG2-O 3.29Å; T254-P316 WeakPolarHBondContact CG2-O 3.48Å; T254-P316 PolarHBondContact OG1-O 3.44Å; Q306-P316 VanDerWaalsContact O-CD 3.27Å; Q306-P316 WeakPolarHBondContact O-CD 3.34Å; P316-T320 HydrophobicContact CB-CG2 3.86Å; P316-I321 HydrophobicContact CB-CG1 4.04Å; P316-I321 HydrophobicContact CG-CD1 4.09Å; P316-I321 HydrophobicContact CG-CG1 3.73Å
317N98.8Very high98.4Very high64 Ų6452.9 Ų52.934%0.34226%0.257SS..PPolyproline II helixtrans-85.9171.5161.968.45.9000110.1S319 T320 I321N317-S319 VanDerWaalsContact C-N 3.32Å; N317-S319 PolarHBondContact O-N 2.96Å; N317-T320 PolarHBondContact O-N 2.93Å; N317-T320 VanDerWaalsContact OD1-CB 3.3Å; N317-T320 WeakPolarHBondContact OD1-CB 3.41Å; N317-T320 PolarHBondContact OD1-N 3.34Å; N317-T320 PolarHBondContact OD1-OG1 2.94Å; N317-I321 WeakPolarHBondContact O-CG1 3.33Å; N317-I321 PolarHBondContact O-N 2.87Å
318F98.8Very high98.4Very high1 Ų153 Ų530%0.00426%0.258CS..Hα-helixtrans-70.1-27.3-174.9-77.9-77.9000113.9C179 H180 E183 D253 F257 I321 L322C179-F318 HydrophobicContact CB-CD1 3.44Å; C179-F318 VanDerWaalsContact CB-CD1 3.44Å; C179-F318 HydrophobicContact CB-CD2 3.92Å; C179-F318 HydrophobicContact CB-CE1 3.24Å; C179-F318 HydrophobicContact CB-CE2 3.74Å; C179-F318 HydrophobicContact CB-CG 3.78Å; C179-F318 HydrophobicContact CB-CZ 3.4Å; H180-F318 HydrophobicContact CB-CB 3.68Å; E183-F318 HydrophobicContact CB-CD2 4.17Å; E183-F318 WeakPolarHBondContact OE2-CB 3.34Å; E183-F318 PolarHBondContact OE2-N 2.99Å; D253-F318 HydrophobicContact CB-CE2 4.17Å; D253-F318 HydrophobicContact CB-CZ 4.2Å; F257-F318 HydrophobicContact CB-CE1 3.7Å; F257-F318 HydrophobicContact CB-CZ 3.97Å; F257-F318 HydrophobicContact CD1-CE1 4.24Å; F257-F318 AromaticContact CD2-CE1 3.99Å; F257-F318 HydrophobicContact CD2-CE1 3.99Å; F257-F318 AromaticContact CG-CE1 3.7Å; F257-F318 HydrophobicContact CG-CE1 3.7Å; F257-F318 HydrophobicContact CG-CZ 4.46Å; F318-I321 HydrophobicContact CD1-CD1 3.82Å; F318-I321 HydrophobicContact CE1-CD1 3.96Å; F318-I321 HydrophobicContact CG-CD1 4.44Å; F318-I321 PolarHBondContact O-N 3.29Å; F318-L322 WeakPolarHBondContact O-CG 3.28Å; F318-L322 PolarHBondContact O-N 3.16Å
319S98.7Very high98.4Very high43 Ų4354.8 Ų54.830%0.30127%0.267SS..Hα-helixtrans-58.8-48.8169.3177.10000111.5N317 I321 L322 E323N317-S319 VanDerWaalsContact C-N 3.32Å; N317-S319 PolarHBondContact O-N 2.96Å; S319-I321 VanDerWaalsContact C-N 3.28Å; S319-I321 PolarHBondContact O-N 3.1Å; S319-L322 WeakPolarHBondContact O-CB 3.43Å; S319-L322 PolarHBondContact O-N 2.91Å; S319-L322 VanDerWaalsContact O-N 3.14Å; S319-E323 PolarHBondContact O-N 2.87Å
320T98.8Very high98.4Very high35 Ų3558.3 Ų58.322%0.21528%0.283CS..Hα-helixtrans-65.1-29.4176.1-55.80000112.6P316 N317 R324P316-T320 HydrophobicContact CB-CG2 3.86Å; N317-T320 PolarHBondContact O-N 2.93Å; N317-T320 VanDerWaalsContact OD1-CB 3.3Å; N317-T320 WeakPolarHBondContact OD1-CB 3.41Å; N317-T320 PolarHBondContact OD1-N 3.34Å; N317-T320 PolarHBondContact OD1-OG1 2.94Å; T320-R324 VanDerWaalsContact CG2-CZ 3.43Å; T320-R324 WeakPolarHBondContact O-CD 3.49Å; T320-R324 VanDerWaalsContact O-CG 3.26Å; T320-R324 WeakPolarHBondContact O-CG 3.28Å; T320-R324 PolarHBondContact O-N 3.22Å
321I98.9Very high98.4Very high0 Ų055.8 Ų55.80%027%0.273CS..Hα-helixtrans-69.6-43173.2-69171.7000110.6A176 T254 F257 I303 P316 N317 F318 S319 R324 L325A176-I321 HydrophobicContact CB-CG2 4.2Å; T254-I321 HydrophobicContact CG2-CD1 4.21Å; F257-I321 HydrophobicContact CD1-CD1 4.11Å; F257-I321 HydrophobicContact CD1-CG2 4.01Å; F257-I321 HydrophobicContact CE1-CG2 3.46Å; F257-I321 VanDerWaalsContact CE1-CG2 3.46Å; F257-I321 HydrophobicContact CZ-CG2 4.15Å; I303-I321 HydrophobicContact CG2-CG2 4.29Å; P316-I321 HydrophobicContact CB-CG1 4.04Å; P316-I321 HydrophobicContact CG-CD1 4.09Å; P316-I321 HydrophobicContact CG-CG1 3.73Å; N317-I321 WeakPolarHBondContact O-CG1 3.33Å; N317-I321 PolarHBondContact O-N 2.87Å; F318-I321 HydrophobicContact CD1-CD1 3.82Å; F318-I321 HydrophobicContact CE1-CD1 3.96Å; F318-I321 HydrophobicContact CG-CD1 4.44Å; F318-I321 PolarHBondContact O-N 3.29Å; S319-I321 VanDerWaalsContact C-N 3.28Å; S319-I321 PolarHBondContact O-N 3.1Å; I321-R324 PolarHBondContact O-N 3.01Å; I321-L325 HydrophobicContact CG2-CD1 3.83Å; I321-L325 HydrophobicContact CG2-CG 4.39Å; I321-L325 WeakPolarHBondContact O-CG 3.43Å; I321-L325 PolarHBondContact O-N 2.98Å
322L98.9Very high98.4Very high22 Ų2255.3 Ų55.312%0.11528%0.278CS..Hα-helixtrans-61.1-48.1177.4-74.4164.5000111.5R173 A176 K177 H180 F318 S319 R324 L325 D326R173-L322 HydrophobicContact CG-CD2 4.36Å; A176-L322 HydrophobicContact CB-CD2 3.62Å; A176-L322 HydrophobicContact CB-CG 4.06Å; K177-L322 HydrophobicContact CG-CD1 4.41Å; K177-L322 HydrophobicContact CG-CD2 3.77Å; H180-L322 HydrophobicContact CB-CD1 3.98Å; F318-L322 WeakPolarHBondContact O-CG 3.28Å; F318-L322 PolarHBondContact O-N 3.16Å; S319-L322 WeakPolarHBondContact O-CB 3.43Å; S319-L322 PolarHBondContact O-N 2.91Å; S319-L322 VanDerWaalsContact O-N 3.14Å; L322-R324 VanDerWaalsContact C-N 3.26Å; L322-R324 PolarHBondContact O-N 3.35Å; L322-L325 PolarHBondContact O-N 3.25Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L322-D326 PolarHBondContact O-N 2.87Å
323E98.8Very high98.5Very high128 Ų12860.4 Ų60.460%0.59830%0.303SS*.Hα-helixtrans-52.1-43.5174.2-69.5174.5173.200112.5S319 Y327S319-E323 PolarHBondContact O-N 2.87Å; E323-Y327 PolarHBondContact O-N 3.14Å
324R98.8Very high98.5Very high75 Ų7554.2 Ų54.228%0.28327%0.274SS..Hα-helixtrans-71.8-34.4179.7-67.9170.7-172169.47.3112.5I303 T320 I321 L322 C328I303-R324 HydrophobicContact CD1-CB 3.68Å; I303-R324 HydrophobicContact CG1-CB 3.88Å; T320-R324 VanDerWaalsContact CG2-CZ 3.43Å; T320-R324 WeakPolarHBondContact O-CD 3.49Å; T320-R324 VanDerWaalsContact O-CG 3.26Å; T320-R324 WeakPolarHBondContact O-CG 3.28Å; T320-R324 PolarHBondContact O-N 3.22Å; I321-R324 PolarHBondContact O-N 3.01Å; L322-R324 VanDerWaalsContact C-N 3.26Å; L322-R324 PolarHBondContact O-N 3.35Å; R324-C328 PolarHBondContact O-N 2.77Å; R324-C328 PolarHBondContact O-SG 2.92Å
325L98.8Very high98.5Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-72.5-39.6174.9-71.1170.2000112L169 A172 R173 A176 F257 L261 I303 I321 L322 Y327 C328 L329L169-L325 HydrophobicContact CD2-CD2 4.14Å; A172-L325 HydrophobicContact CB-CD1 4.34Å; A172-L325 HydrophobicContact CB-CD2 4.2Å; R173-L325 HydrophobicContact CB-CB 4.43Å; R173-L325 HydrophobicContact CB-CD1 4.37Å; A176-L325 HydrophobicContact CB-CD1 3.9Å; F257-L325 HydrophobicContact CE1-CD1 4.37Å; F257-L325 HydrophobicContact CZ-CD1 4.09Å; L261-L325 HydrophobicContact CD2-CD2 4.36Å; I303-L325 HydrophobicContact CD1-CD2 3.72Å; I303-L325 HydrophobicContact CD1-CG 3.99Å; I321-L325 HydrophobicContact CG2-CD1 3.83Å; I321-L325 HydrophobicContact CG2-CG 4.39Å; I321-L325 WeakPolarHBondContact O-CG 3.43Å; I321-L325 PolarHBondContact O-N 2.98Å; L322-L325 PolarHBondContact O-N 3.25Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L325-Y327 VanDerWaalsContact C-N 3.34Å; L325-C328 WeakPolarHBondContact O-CB 3.33Å; L325-C328 PolarHBondContact O-N 3.26Å; L325-L329 PolarHBondContact O-N 3.47Å
326D98.6Very high98.4Very high55 Ų5556 Ų5629%0.29429%0.289SS..Hα-helixtrans-68-31.9173.9-78.4-41.1000111.7R173 L322 L329 Q330R173-D326 WeakPolarHBondContact CD-OD1 3.34Å; R173-D326 IonicContact CZ-OD1 3.64Å; R173-D326 IonicContact NE-OD1 2.62Å; R173-D326 PolarHBondContact NE-OD1 3.28Å; R173-D326 IonicContact NH2-OD1 2.77Å; R173-D326 PolarHBondContact NH2-OD1 2.78Å; L322-D326 PolarHBondContact O-N 2.87Å; D326-L329 PolarHBondContact O-N 2.68Å; D326-Q330 WeakPolarHBondContact O-CG 3.29Å; D326-Q330 PolarHBondContact O-N 2.77Å; D326-Q330 PolarHBondContact O-NE2 2.75Å
327Y98.5Very high98.2Very high149 Ų14959 Ų5958%0.58430%0.304SS*.Hα-helixtrans-63.6-48.6167-175.4-79.6000111.5E323 L325 L329 Q330 D331E323-Y327 PolarHBondContact O-N 3.14Å; L325-Y327 VanDerWaalsContact C-N 3.34Å; Y327-L329 PolarHBondContact O-N 3.04Å; Y327-L329 VanDerWaalsContact O-N 3.17Å; Y327-Q330 PolarHBondContact O-N 2.72Å; Y327-D331 HydrophobicContact CE1-CB 4.19Å; Y327-D331 PolarHBondContact O-N 3.28Å; Y327-D331 VanDerWaalsContact O-N 3.16Å
328C98.7Very high98Very high3 Ų359.1 Ų59.12%0.0231%0.313CS..Hα-helixtrans-59.8-24.6177.2-73.50000113.8L169 V300 R324 L325 V334 V335L169-C328 HydrophobicContact CD1-CB 4.36Å; L169-C328 WeakPolarHBondContact CD1-O 3.08Å; L169-C328 HydrophobicContact CD2-CB 3.6Å; V300-C328 HydrophobicContact CG2-CB 4.38Å; R324-C328 PolarHBondContact O-N 2.77Å; R324-C328 PolarHBondContact O-SG 2.92Å; L325-C328 WeakPolarHBondContact O-CB 3.33Å; L325-C328 PolarHBondContact O-N 3.26Å; C328-V334 HydrophobicContact CB-CG1 4.08Å; C328-V334 WeakPolarHBondContact O-CG1 3.35Å; C328-V335 WeakPolarHBondContact O-CG1 3.26Å
329L98.3Very high97.7Very high39 Ų3960 Ų6020%0.20432%0.318CS..THydrogen-bonded Turntrans-80.3-14.6173.5-80.5167000114.2V166 L169 L325 D326 Y327V166-L329 HydrophobicContact CG1-CD2 4.14Å; L169-L329 HydrophobicContact CB-CD2 3.53Å; L169-L329 HydrophobicContact CB-CG 3.87Å; L169-L329 HydrophobicContact CD1-CD2 3.91Å; L169-L329 HydrophobicContact CD1-CG 4.19Å; L169-L329 HydrophobicContact CG-CD2 4.35Å; L325-L329 PolarHBondContact O-N 3.47Å; D326-L329 PolarHBondContact O-N 2.68Å; Y327-L329 PolarHBondContact O-N 3.04Å; Y327-L329 VanDerWaalsContact O-N 3.17Å
330Q98.3Very high97.4Very high153 Ų15358.8 Ų58.872%0.71531%0.309SS*.THydrogen-bonded Turntrans-100.1-18.4178-71.2168.687.100112.8D326 Y327 P332D326-Q330 WeakPolarHBondContact O-CG 3.29Å; D326-Q330 PolarHBondContact O-N 2.77Å; D326-Q330 PolarHBondContact O-NE2 2.75Å; Y327-Q330 PolarHBondContact O-N 2.72Å; Q330-P332 WeakPolarHBondContact O-CD 3.45Å
331D98.3Very high96.8Very high30 Ų3059.4 Ų59.416%0.1631%0.313CS..  trans-81.2112.1-177.7-171.6-27.9000111.5Y327 D333 V334 V335Y327-D331 HydrophobicContact CE1-CB 4.19Å; Y327-D331 PolarHBondContact O-N 3.28Å; Y327-D331 VanDerWaalsContact O-N 3.16Å; D331-D333 VanDerWaalsContact C-N 3.3Å; D331-D333 PolarHBondContact O-N 3.49Å; D331-D333 PolarHBondContact OD1-N 3.05Å; D331-D333 VanDerWaalsContact OD1-N 3.14Å; D331-V334 HydrophobicContact CB-CB 4.04Å; D331-V334 HydrophobicContact CB-CG2 3.8Å; D331-V334 WeakPolarHBondContact O-CB 3.36Å; D331-V334 PolarHBondContact O-N 2.96Å; D331-V334 VanDerWaalsContact O-N 3.12Å; D331-V335 PolarHBondContact O-N 2.99Å
332P97.6Very high96Very high85 Ų8561.3 Ų61.355%0.55232%0.322SS*.Hα-helixtrans-58.7-37.6-177.7-25.336.3000113.9Q330 V334 V335 T336Q330-P332 WeakPolarHBondContact O-CD 3.45Å; P332-V334 PolarHBondContact O-N 3.13Å; P332-V335 PolarHBondContact O-N 3.31Å; P332-T336 WeakPolarHBondContact O-CB 3.25Å; P332-T336 VanDerWaalsContact O-CG2 3.32Å; P332-T336 WeakPolarHBondContact O-CG2 3.29Å; P332-T336 PolarHBondContact O-N 2.82Å; P332-T336 PolarHBondContact O-OG1 3.32Å
333D97.4Very high94.6Very high137 Ų13768.2 Ų68.273%0.73335%0.347SS*.Hα-helixtrans-71-22.4-178-65.6-13.8000111.2D331D331-D333 VanDerWaalsContact C-N 3.3Å; D331-D333 PolarHBondContact O-N 3.49Å; D331-D333 PolarHBondContact OD1-N 3.05Å; D331-D333 VanDerWaalsContact OD1-N 3.14Å
334V98.1Very high92.8Very high2 Ų264.7 Ų64.71%0.01235%0.345CS..Hα-helixtrans-82.6-52.9171.3179.30000111M165 L169 P297 P299 V300 C328 D331 P332 T336 M337M165-V334 WeakPolarHBondContact CG-O 3.28Å; L169-V334 HydrophobicContact CD1-CG1 4.03Å; P297-V334 HydrophobicContact CB-CB 4.3Å; P297-V334 HydrophobicContact CB-CG1 3.89Å; P297-V334 HydrophobicContact CB-CG2 4.09Å; P297-V334 HydrophobicContact CG-CG1 3.93Å; P299-V334 HydrophobicContact CB-CG2 4.05Å; P299-V334 HydrophobicContact CG-CG2 3.66Å; V300-V334 HydrophobicContact CG2-CG1 4.04Å; C328-V334 HydrophobicContact CB-CG1 4.08Å; C328-V334 WeakPolarHBondContact O-CG1 3.35Å; D331-V334 HydrophobicContact CB-CB 4.04Å; D331-V334 HydrophobicContact CB-CG2 3.8Å; D331-V334 WeakPolarHBondContact O-CB 3.36Å; D331-V334 PolarHBondContact O-N 2.96Å; D331-V334 VanDerWaalsContact O-N 3.12Å; P332-V334 PolarHBondContact O-N 3.13Å; V334-T336 PolarHBondContact O-N 3.1Å; V334-M337 WeakPolarHBondContact O-CB 3.23Å; V334-M337 PolarHBondContact O-N 2.83Å
335V97.7Very high90.7Very high35 Ų3566.8 Ų66.821%0.21237%0.369CS..Hα-helixtrans-73.6-25.5-170.3-62.40000114.4V166 L169 C328 D331 P332V166-V335 HydrophobicContact CG2-CB 3.7Å; V166-V335 HydrophobicContact CG2-CG1 3.95Å; L169-V335 HydrophobicContact CD1-CG1 4.07Å; C328-V335 WeakPolarHBondContact O-CG1 3.26Å; D331-V335 PolarHBondContact O-N 2.99Å; P332-V335 PolarHBondContact O-N 3.31Å
336T96.3Very high88.5Confident109 Ų10970.9 Ų70.967%0.66939%0.394SS*.THydrogen-bonded Turntrans-85.3-7.417662.60000113.9P332 V334 A338P332-T336 WeakPolarHBondContact O-CB 3.25Å; P332-T336 VanDerWaalsContact O-CG2 3.32Å; P332-T336 WeakPolarHBondContact O-CG2 3.29Å; P332-T336 PolarHBondContact O-N 2.82Å; P332-T336 PolarHBondContact O-OG1 3.32Å; V334-T336 PolarHBondContact O-N 3.1Å; T336-A338 PolarHBondContact O-N 2.78Å
337M95.8Very high86.3Confident74 Ų7472.1 Ų72.137%0.36541%0.405SS..PPolyproline II helixtrans-61.4120.5-177.3-174.463.5173.900111M165 N295 P297 V334 L339M165-M337 HydrophobicContact CE-CB 3.83Å; M165-M337 HydrophobicContact CE-CG 3.82Å; M165-M337 WeakPolarHBondContact CE-O 3.43Å; N295-M337 HydrophobicContact CB-CE 3.78Å; N295-M337 WeakPolarHBondContact O-CG 3.31Å; P297-M337 HydrophobicContact CG-CB 4.04Å; P297-M337 HydrophobicContact CG-CG 4.12Å; V334-M337 WeakPolarHBondContact O-CB 3.23Å; V334-M337 PolarHBondContact O-N 2.83Å; M337-L339 PolarHBondContact O-N 3.18Å
338A93.8Very high83.8Confident66 Ų6673.7 Ų73.755%0.54542%0.418SS..PPolyproline II helixtrans-67.7131.2-176.500000111.6N295 T336N295-A338 WeakPolarHBondContact CB-O 3.33Å; N295-A338 PolarHBondContact ND2-O 2.99Å; T336-A338 PolarHBondContact O-N 2.78Å
339L93.8Very high81.3Confident20 Ų2080.5 Ų80.511%0.10545%0.449CS..PPolyproline II helixtrans-60.3148173.5-63.8-168.3000111.1P155 L163 M165 L168 L267 M337 V341P155-L339 HydrophobicContact CG-CB 3.86Å; P155-L339 HydrophobicContact CG-CD1 4.41Å; L163-L339 HydrophobicContact CB-CD1 4.03Å; L163-L339 HydrophobicContact CD2-CD1 4.07Å; L163-L339 HydrophobicContact CG-CD1 4Å; L163-L339 WeakPolarHBondContact O-CD1 3.49Å; M165-L339 HydrophobicContact CE-CD2 3.74Å; M165-L339 HydrophobicContact SD-CD2 3.89Å; L168-L339 HydrophobicContact CD1-CD1 4.46Å; L168-L339 HydrophobicContact CD1-CD2 3.53Å; L168-L339 HydrophobicContact CG-CD2 4.37Å; L267-L339 HydrophobicContact CD2-CD1 4.28Å; M337-L339 PolarHBondContact O-N 3.18Å; L339-V341 PolarHBondContact O-N 3.48Å
340P90.8Very high78.4Confident18 Ų1886.3 Ų86.312%0.11748%0.475CS..PPolyproline II helixtrans-69123.8179.929.3-34.4000110.8L267 K294L267-P340 HydrophobicContact CD1-CG 4.23Å; K294-P340 HydrophobicContact CB-CB 4.11Å; K294-P340 HydrophobicContact CB-CG 4.44Å; K294-P340 HydrophobicContact CD-CB 3.72Å; K294-P340 HydrophobicContact CG-CB 3.85Å; K294-P340 WeakPolarHBondContact O-CG 3.38Å
341V87.2Confident75.4Confident47 Ų4787.1 Ų87.129%0.28548%0.479SS..PPolyproline II helixtrans-69.9133.9167.6-175.40000109.3P155 L157 K294 L339 Y343P155-V341 HydrophobicContact CB-CG2 4.33Å; P155-V341 WeakPolarHBondContact O-CA 3.04Å; L157-V341 HydrophobicContact CD2-CG1 4.17Å; L157-V341 HydrophobicContact CG-CG1 4.13Å; K294-V341 PolarHBondContact NZ-O 2.85Å; L339-V341 PolarHBondContact O-N 3.48Å; V341-Y343 HydrophobicContact CB-CE2 4.2Å; V341-Y343 HydrophobicContact CG1-CE2 4.48Å; V341-Y343 WeakPolarHBondContact O-CD2 3.15Å
342E81.6Confident72.3Confident40 Ų4093 Ų9319%0.18751%0.505CS..PPolyproline II helixtrans-84.6124.6174.1-172.6164.5-100.100109.8R154 P155 R156R154-E342 VanDerWaalsContact CD-OE1 3.24Å; R154-E342 WeakPolarHBondContact CD-OE1 3.48Å; R154-E342 IonicContact CZ-OE1 3.58Å; R154-E342 IonicContact NE-OE1 3.78Å; R154-E342 IonicContact NH1-OE1 2.68Å; R154-E342 PolarHBondContact NH1-OE1 3.45Å; P155-E342 PolarHBondContact O-N 3.36Å; R156-E342 IonicContact CZ-OE2 3.16Å; R156-E342 IonicContact NH1-OE2 2.72Å; R156-E342 PolarHBondContact NH1-OE2 3.19Å; R156-E342 IonicContact NH2-OE2 2.77Å; R156-E342 PolarHBondContact NH2-OE2 3Å
343Y69.9Low69.1Low167 Ų16794.2 Ų94.266%0.65551%0.511SS*.  trans-105.7109-179.3-68.6-98.2000109.4L157 V341L157-Y343 HydrophobicContact CD1-CD1 4Å; L157-Y343 HydrophobicContact CD1-CE1 4.1Å; L157-Y343 HydrophobicContact CD2-CE1 4.48Å; V341-Y343 HydrophobicContact CB-CE2 4.2Å; V341-Y343 HydrophobicContact CG1-CE2 4.48Å; V341-Y343 WeakPolarHBondContact O-CD2 3.15Å
344G61Low66Low54 Ų5493.3 Ų93.356%0.55751%0.513SS*.SBendtrans171.3170.4177.700000110.6
345P54.4Low63.2Low120 Ų12099.9 Ų99.978%0.77955%0.553SS**  trans-59158.3164.529.2-34.8000110.1
346V53.4Low60.1Low85 Ų85105.8 Ų105.852%0.51558%0.577SS.*  trans-53.2135.1164.5-178.70000107.8E348V346-E348 PolarHBondContact O-N 3.33Å
347P51.3Low57.2Low82 Ų82105.8 Ų105.853%0.53258%0.579SS.*  trans-58.5111.9171.5-21.833.1000109.1
348E47.2Very low54.4Low182 Ų182111.3 Ų111.385%0.8560%0.604SS**  trans-55139.1162.8-64.6-177.6155.400107.6V346 E350V346-E348 PolarHBondContact O-N 3.33Å; E348-E350 PolarHBondContact O-N 3.44Å
349E44.9Very low51.5Low146 Ų146115.7 Ų115.768%0.68262%0.618SS**  trans-54.1130-173.1-62-172.4155.300110.5E351 Q352E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 3.46Å; E349-Q352 PolarHBondContact OE2-NE2 2.66Å
350E37.2Very low48.9Very low161 Ų161120.7 Ų120.775%0.75265%0.652SS**THydrogen-bonded Turntrans-61.189.8-172-67.3-178.6102.600111.3R151 E348R151-E350 IonicContact CZ-OE2 3.85Å; R151-E350 IonicContact NH1-OE2 3.73Å; R151-E350 IonicContact NH2-OE2 2.96Å; R151-E350 PolarHBondContact NH2-OE2 3.01Å; E348-E350 PolarHBondContact O-N 3.44Å
351E35.8Very low46.3Very low170 Ų170123.7 Ų123.779%0.79468%0.679SS**THydrogen-bonded Turntrans58.270169.5-155.6168.5-156.100116.2E349 V353E349-E351 VanDerWaalsContact C-N 3.33Å; E349-E351 PolarHBondContact O-N 3.46Å; E351-V353 VanDerWaalsContact C-N 3.32Å; E351-V353 PolarHBondContact O-N 3.03Å
352Q33.9Very low43.6Very low152 Ų152128.3 Ų128.371%0.7171%0.707SS**  trans-62.496.9152.5-71.3-161.132.100109.1E349 P354E349-Q352 PolarHBondContact OE2-NE2 2.66Å; Q352-P354 WeakPolarHBondContact O-CD 3.49Å
353V30.3Very low41.4Very low112 Ų112131.8 Ų131.868%0.67973%0.733SS**  trans-52.3120.9178.7179.60000109.8E351 V355E351-V353 VanDerWaalsContact C-N 3.32Å; E351-V353 PolarHBondContact O-N 3.03Å; V353-V355 PolarHBondContact O-N 2.98Å
354P32.3Very low39.6Very low118 Ų118128.7 Ų128.777%0.76674%0.742SS**  trans-60.2109.6-177.5-26.935.7000111.9Q352 H356Q352-P354 WeakPolarHBondContact O-CD 3.49Å; P354-H356 PolarHBondContact O-N 3.27Å
355V37.9Very low38.1Very low140 Ų140132 Ų13285%0.84875%0.751SS**  trans-68.6113.5169.2179.90000107.1V353V353-V355 PolarHBondContact O-N 2.98Å
356H33.8Very low37.2Very low158 Ų158134.4 Ų134.473%0.73176%0.756SS**PPolyproline II helixtrans-58.2134.2177.6-161.1-72.3000109.4P354 E358P354-H356 PolarHBondContact O-N 3.27Å; H356-E358 PolarHBondContact O-N 2.73Å
357P34.7Very low35.9Very low109 Ų109138.1 Ų138.171%0.70877%0.772SS**PPolyproline II helixtrans-57.5133.5173.7-23.633.7000110.4
358E37Very low34.7Very low190 Ų190141.8 Ų141.889%0.88879%0.787SS**PPolyproline II helixtrans-83.6138.2168.3-66.8-154.7141.800110.1H356H356-E358 PolarHBondContact O-N 2.73Å
359D33.3Very low34Very low158 Ų158137.5 Ų137.585%0.84578%0.783SS**PPolyproline II helixtrans-78.1126.9-176-133.2-25000110.3A361D359-A361 PolarHBondContact O-N 2.93Å; D359-A361 VanDerWaalsContact O-N 3.1Å
360P38.3Very low33.1Very low125 Ų125139.9 Ų139.981%0.81279%0.794SS**  trans-81.894.7-169.931.2-35.1000112.6
361A36Very low32.9Very low82 Ų82138.3 Ų138.368%0.67880%0.796SS**  trans-140135.1175.600000114.7D359D359-A361 PolarHBondContact O-N 2.93Å; D359-A361 VanDerWaalsContact O-N 3.1Å
362V31.9Very low33.1Very low143 Ų143135.3 Ų135.387%0.86779%0.791SS**SBendtrans61149.6170.1-800000118
363P34.2Very low32.9Very low113 Ų113135.6 Ų135.673%0.73480%0.797SS**  trans-119.9169-130.539.4-28.1000116.2
364A33.7Very low32.9Very low102 Ų102133.9 Ų133.984%0.84380%0.802SS**  trans-62.4133.217700000113
365V28.2Very low32.7Very low125 Ų125137.1 Ų137.176%0.75881%0.807SS**  trans-109.8108.8168.7177.70000108.6L367V365-L367 HydrophobicContact CG1-CD1 4.16Å
366L35.1Very low32.4Very low170 Ų170134.2 Ų134.289%0.8980%0.797SS**  trans-68.6140.4165.6-74160.9000109.5
367L27.4Very low32.1Very low163 Ų163132 Ų13285%0.85380%0.8SS**  trans-135.1122158.8-114.3120.3000109.8V365V365-L367 HydrophobicContact CG1-CD1 4.16Å
368N26.4Very low31.8Very low158 Ų158135.1 Ų135.185%0.84581%0.805SS**  trans-83.4156.7178.7-133.73.4000109.9
369A31.1Very low31.3Very low92 Ų92133 Ų13376%0.7680%0.799SS**  trans-75.6142.3177.200000112.2
370Q26.8Very low31.8Very low196 Ų196130.7 Ų130.792%0.91679%0.792SS**  trans-153.8141.4164.1-108.1156.1400110.1
371V32.9Very low32.2Very low129 Ų129130.1 Ų130.178%0.78279%0.789SS**  trans-132141.3180-165.30000106.6
372P39.5Very low31.8Very low107 Ų107131.7 Ų131.770%0.69580%0.795SS**  -145.4152.9114.533.8-16.8000115.3
373D30.2Very low31.5Very low158 Ų158135.5 Ų135.585%0.84580%0.795SS**  trans12.8148.6130.4-33.1-42.8000118.8
374G29.5Very low31.8Very low75 Ų75136.2 Ų136.277%0.77380%0.8SS**  cis-173.4-1663.800000107.4
375E29.7Very low31.6Very low187 Ų187136.9 Ų136.987%0.87479%0.794SS**  cis-153.9136.9-5.6-86.8-148.680.800106.8
376A30.1Very low31.5Very low78 Ų78138.8 Ų138.865%0.64579%0.794SS**  85.1141.984.500000117.1
377S27.8Very low31.2Very low113 Ų113136.9 Ų136.979%0.7979%0.79SS**  trans77.1127-178.3-47.40000116.4
378Q28.5Very low31Very low173 Ų173134.2 Ų134.281%0.80879%0.785SS**  cis74.6133.347.6-66.4-164.76.400113.5
379L27.7Very low31.1Very low147 Ų147133.5 Ų133.577%0.7779%0.786SS**  cis-156.8179.82.5-105165.7000109.4
380P43.8Very low30.9Very low108 Ų108134.2 Ų134.270%0.70178%0.781SS**  trans-87.7-166.1-169.342.2-42.4000113.1
381P45.3Very low31Very low114 Ų114131.9 Ų131.974%0.7478%0.775SS**  cis-151.7-162.918.246.4-23.7000119.5
382S27.5Very low30.7Very low115 Ų115131.5 Ų131.580%0.80477%0.773SS**  trans107.1145.5148.674.80000120.6
383Y26.8Very low30.3Very low222 Ų222132.3 Ų132.387%0.87178%0.776SS**  trans-92.1167.2174.2-74.9-93.6000111
384P40.3Very low30.2Very low128 Ų128130.2 Ų130.283%0.83177%0.769SS**  -140.8-171.4106.738.6-25000115.6
385T28.7Very low30.2Very low117 Ų117132 Ų13272%0.71877%0.77SS**  trans-98.4169.7-161.6-2.60000116
386E27.7Very low30.2Very low164 Ų164128 Ų12877%0.76677%0.768SS**  trans67.7163.4151.5-73.5169.5-134.500118.3
387T27Very low30.1Very low131 Ų131128.8 Ų128.880%0.80477%0.774SS**  cis-139.5177.9-2.6-12.20000110.8
388S24.4Very low30.9Very low106 Ų106128.6 Ų128.674%0.74177%0.771SS**  trans-99153.9176.4-1790000112.9
389V28.1Very low31Very low143 Ų143125.1 Ų125.187%0.86777%0.766SS**  trans-169.8161.6145.6136.20000111
390T26.2Very low31.1Very low108 Ų108123.6 Ų123.666%0.66376%0.762SS**  trans-98.7164-162.253.90000115.9
391N29Very low30.5Very low146 Ų146125.6 Ų125.678%0.78177%0.766SS**  -175.9137.7112-86.9-12.1000117
392T26.9Very low29.8Very low122 Ų122125.9 Ų125.975%0.74877%0.766SS**  trans-36.7165.6154.1-5.60000115.1
393V31Very low29.8Very low124 Ų124124.5 Ų124.575%0.75276%0.762SS**  cis-159.9179.732.7-135.20000109.5
394T29.4Very low30Very low114 Ų114124.3 Ų124.370%0.69977%0.766SS**  cis-158.9152.72.8-22.40000111.3
395S28.9Very low29.2Very low113 Ų113121.6 Ų121.679%0.7976%0.761SS**  trans49.6158.6144.866.70000122.9
396A28.7Very low29.9Very low101 Ų101122.1 Ų122.184%0.83577%0.766SS**  cis-142.7179.415.300000114.1
397A29.3Very low29.9Very low95 Ų95122.8 Ų122.879%0.78577%0.769SS**  trans-111.5-155.2-170.800000111.7
398P43.2Very low30.7Very low110 Ų110122.2 Ų122.271%0.71477%0.768SS**  cis-144-175.525.844.4-23.4000118.6
399S31.6Very low30.8Very low100 Ų100121.9 Ų121.970%0.69977%0.771SS**  trans77.7139.3153-58.80000119.8
400T29.8Very low30.8Very low114 Ų114119.4 Ų119.470%0.69977%0.765SS**  cis-162.8146.1-9.215.30000111.6
401L31.5Very low30.7Very low150 Ų150123.2 Ų123.279%0.78578%0.776SS**  trans31.3146135.4-54.6172.6000120.7
402T28.8Very low31.3Very low120 Ų120121 Ų12174%0.73677%0.769SS**  cis-167.41457.619.50000106.8
403A29.3Very low31.1Very low87 Ų87120.3 Ų120.372%0.71977%0.769SS**  cis91.5114.834.100000116.2
404K29.4Very low30.9Very low218 Ų218119.1 Ų119.195%0.94877%0.767SS**  trans-180142142.3-102.9166.9-176.7-178.90114.2
405G25.1Very low30.6Very low70 Ų70123.1 Ų123.172%0.72278%0.777SS**  trans-114.6-145.4161.800000110.2
406P43.1Very low30.4Very low129 Ų129121.5 Ų121.584%0.83878%0.779SS**  cis-140.3-1573.843-21.8000115.3
407H26.7Very low30.2Very low178 Ų178119.6 Ų119.682%0.82477%0.769SS**  trans-77.7-164.1172.4-54.1-97.1000112.9
408P44.7Very low30.1Very low119 Ų119123.2 Ų123.277%0.77377%0.769SS**  cis-145.9-174.2-1.244.7-24.6000118.9
409A27.2Very low29.2Very low98 Ų98124.8 Ų124.881%0.8177%0.77SS**  trans68.4156.6147.300000121.7
410A26.5Very low28.9Very low91 Ų91126.2 Ų126.275%0.75277%0.77SS**  cis-171.4148.1-26.400000113.4
411Q24.8Very low28.6Very low189 Ų189127.7 Ų127.788%0.88377%0.773SS**  trans58.9169.9153.7-88.8-168.71.200121.1
412P40.6Very low28.3Very low99 Ų99124.6 Ų124.664%0.64377%0.769SS**  cis-135.7-178.8-20.234-13.5000116.6
413S23.7Very low27.9Very low107 Ų107127.9 Ų127.975%0.74877%0.774SS**  trans80.7154.3140.760.60000125
414S25.8Very low27.6Very low100 Ų100128.6 Ų128.670%0.69977%0.769SS**  trans65.1112.6160.759.80000122.6
415E25.1Very low27.5Very low197 Ų197127.4 Ų127.492%0.92177%0.767SS**  49.8136.8127.7-57.8-172.8122.200123
416G24.5Very low27.4Very low80 Ų80127.6 Ų127.683%0.82577%0.769SS**  118.684120.100000120
417G24.1Very low26.6Very low61 Ų61130.5 Ų130.563%0.62977%0.771SS**  trans101.2124.9130.800000120.5
418H25.7Very low26.6Very low170 Ų170127.6 Ų127.679%0.78777%0.768SS**  trans51112.2131.8-56.7-64000119.9
419I25.1Very low25.6Very low143 Ų143131.2 Ų131.273%0.73377%0.774SS**  52.2139.986.481.1155.4000114.5
420N25.2Very low25.5Very low131 Ų131135.4 Ų135.470%0.70178%0.777SS**  cis-161.5-179.215.3-145.6-18.8000113
421L24.6Very low25.4Very low145 Ų145141 Ų14176%0.75978%0.784SS**  trans69.3102.7155.1-101.465.5000121.5
422A23.6Very low25.4Very low85 Ų85138.9 Ų138.970%0.70278%0.779SS**  35.1136.6125.600000123
423F21.6Very low24.7Very low189 Ų189137.6 Ų137.683%0.82978%0.784SS**  -167.8158.9109.8-124.6-114.1000115.2
424T22.9Very low24.8Very low101 Ų101141.3 Ų141.362%0.6279%0.789SS**  trans57119.3156.7340000124.6
425Q26.4Very low24.7Very low194 Ų194139.8 Ų139.891%0.90779%0.79SS**  60.7138125.7-68.7178.4-6.700123
426G23.6Very low25.1Very low74 Ų74134.4 Ų134.476%0.76379%0.787SS**  trans174.882.1165.600000114
427H25.7Very low25.1Very low189 Ų189139.5 Ų139.588%0.87579%0.786SS**  trans-77.9151.4164.9-113.5-73.6000110.1
428P27.1Very low25.1Very low118 Ų118144.1 Ų144.177%0.76680%0.796SS**  -135.7164.6125.326-8.5000114.7
429Q23.1Very low25.1Very low195 Ų195141.8 Ų141.891%0.91180%0.795SS**  trans-52.6159.4-167.3-74.8165.1-67.600119.4
430E25Very low25.2Very low186 Ų186139.7 Ų139.787%0.86979%0.792SS**  trans-72.7170.6168.7-60.1157.7123.800113.1
431K25.2Very low25.1Very low207 Ų207141.1 Ų141.190%0.980%0.799SS**  trans-147.8118.9158.4-149.7177.4-170.7-179.20110.4
432D25.3Very low25.4Very low145 Ų145142.9 Ų142.978%0.77580%0.796SS**  trans-63.9147.5-173.8-85.5-69.5000115.2
433G24.6Very low25.5Very low72 Ų72144.3 Ų144.374%0.74279%0.792SS**  trans-14896.9166.200000110G435G433-G435 PolarHBondContact O-N 2.98Å
434H26.1Very low25.8Very low185 Ų185140.3 Ų140.386%0.85679%0.785SS**  trans-65.1129-178.3-81.233.2000111.8
435G24.8Very low26.1Very low69 Ų69139.5 Ų139.571%0.71178%0.78SS**  trans-166.948.8-176.400000112.8G433 K437G433-G435 PolarHBondContact O-N 2.98Å; G435-K437 PolarHBondContact O-N 3.46Å; G435-K437 VanDerWaalsContact O-N 3.17Å
436G33.5Very low26.3Very low84 Ų84134 Ų13487%0.86675%0.751SS**  trans-57.4115.8-173.500000113.5
437K24.2Very low26.7Very low187 Ų187131.3 Ų131.381%0.81372%0.724SS**  trans-134.4117.7165.8-68.6-169.6177.2-173.60108.6G435 T439G435-K437 PolarHBondContact O-N 3.46Å; G435-K437 VanDerWaalsContact O-N 3.17Å; K437-T439 PolarHBondContact O-N 2.98Å; K437-T439 VanDerWaalsContact O-N 3.11Å
438N24.5Very low27Very low157 Ų157123.7 Ų123.784%0.8469%0.692SS**  trans-62.6112.8175.2-76.2-13.6000109.5S440N438-S440 PolarHBondContact O-N 2.77Å
439T26.1Very low27.4Very low122 Ų122121.2 Ų121.275%0.74867%0.667SS**  trans-81.560.7170.643.10000110.2K437 L441K437-T439 PolarHBondContact O-N 2.98Å; K437-T439 VanDerWaalsContact O-N 3.11Å; T439-L441 PolarHBondContact O-N 2.88Å
440S26.8Very low27.7Very low98 Ų98118.9 Ų118.969%0.68565%0.654SS**  trans-71.363.6173.953.10000111.2N438 W442N438-S440 PolarHBondContact O-N 2.77Å; S440-W442 PolarHBondContact O-N 2.79Å
441L23.2Very low27.7Very low161 Ų161119.4 Ų119.484%0.84365%0.648SS**  trans-76.264.7-179.8-68.5171.5000111.2T439T439-L441 PolarHBondContact O-N 2.88Å
442W29.4Very low27.7Very low183 Ų183121 Ų12169%0.69365%0.648SS**  trans-85.1127.3163.1-89.495.5000109.7M270 S440M270-W442 HydrophobicContact CE-CH2 4.24Å; S440-W442 PolarHBondContact O-N 2.79Å
443N25.8Very low27.7Very low114 Ų114119.7 Ų119.761%0.6165%0.646SS**  trans-124.5127.1176.7-172.121.3000107.5T445N443-T445 PolarHBondContact O-N 3.09Å
444P27.6Very low28Very low105 Ų105121.6 Ų121.668%0.68265%0.645SS**  trans-7960-170.932-37.3000113.6
445T29.4Very low28Very low85 Ų85116.6 Ų116.652%0.52164%0.644SS.*  trans-95.988.3172.549.80000111.1N443N443-T445 PolarHBondContact O-N 3.09Å
446Y32Very low28.1Very low78 Ų78122.1 Ų122.131%0.30665%0.651SS.*SBendtrans155.8117.8149.5-97.8-74.6000109.3A68 R195 M215A68-Y446 HydrophobicContact CB-CE1 4.07Å; R195-Y446 WeakPolarHBondContact CD-O 3.45Å; M215-Y446 HydrophobicContact CE-CE2 4.46Å
447G31.4Very low27.7Very low18 Ų18122 Ų12219%0.18665%0.649CS.*  trans60.283.5168.700000117R195R195-G447 WeakPolarHBondContact CB-O 3.44Å
448S32.4Very low27.8Very low29 Ų29121.2 Ų121.220%0.20365%0.649CS.*BIsolated β-bridgetrans-157.3115.5164.9-173.90000111.1F450S448-F450 PolarHBondContact O-N 3.32Å; S448-F450 VanDerWaalsContact O-N 3.09Å; S448-F450 WeakPolarHBondContact OG-CE2 3.43Å; S448-F450 VanDerWaalsContact OG-CZ 3.31Å; S448-F450 WeakPolarHBondContact OG-CZ 3.35Å
449W35.4Very low27.9Very low65 Ų65122.5 Ų122.525%0.24665%0.65CS.*  trans-86.375.4-176.9-61.7120.4000112.3L64 V72 D145 R451L64-W449 HydrophobicContact CB-CE3 4.15Å; L64-W449 CarbonylContact O-C 3.44Å; L64-W449 WeakPolarHBondContact O-CA 3.08Å; V72-W449 HydrophobicContact CB-CH2 3.74Å; V72-W449 HydrophobicContact CB-CZ3 3.53Å; V72-W449 HydrophobicContact CG1-CH2 4.1Å; V72-W449 HydrophobicContact CG1-CZ3 4.23Å; V72-W449 HydrophobicContact CG2-CH2 3.46Å; V72-W449 VanDerWaalsContact CG2-CH2 3.46Å; V72-W449 HydrophobicContact CG2-CZ3 3.58Å; D145-W449 PolarHBondContact OD2-N 3.4Å; W449-R451 PolarHBondContact O-N 3.01Å; W449-R451 VanDerWaalsContact O-N 3.14Å
450F28.1Very low27.8Very low146 Ų146125.2 Ų125.264%0.6465%0.653SS**  trans-66.9109.4179.7-72.5-74.3000112.9S448S448-F450 PolarHBondContact O-N 3.32Å; S448-F450 VanDerWaalsContact O-N 3.09Å; S448-F450 WeakPolarHBondContact OG-CE2 3.43Å; S448-F450 VanDerWaalsContact OG-CZ 3.31Å; S448-F450 WeakPolarHBondContact OG-CZ 3.35Å
451R25.5Very low27.8Very low198 Ų198126.8 Ų126.875%0.74766%0.659SS**  trans-79.6115.3173.8179.1-178.7-178.81770.5110.8W449W449-R451 PolarHBondContact O-N 3.01Å; W449-R451 VanDerWaalsContact O-N 3.14Å
452R25.1Very low27.8Very low239 Ų239122.7 Ų122.790%0.90266%0.655SS**PPolyproline II helixtrans-70.4137.9160.1-83.6-173.5173.6170.7-0.8110.4
453V26.5Very low27.6Very low118 Ų118125.8 Ų125.872%0.71567%0.667SS**PPolyproline II helixtrans-99.1126.1165.71800000107.8
454P29.9Very low27.7Very low113 Ų113126.8 Ų126.873%0.73468%0.677SS**PPolyproline II helixtrans-70.5128.6166.5-13.129000109.3E456P454-E456 PolarHBondContact O-N 2.59Å
455G25.9Very low27.6Very low80 Ų80128.3 Ų128.383%0.82568%0.684SS**PPolyproline II helixtrans-74.6116.1173.100000110.9G457G455-G457 PolarHBondContact O-N 3.36Å
456E27.1Very low27.5Very low185 Ų185128.9 Ų128.986%0.86470%0.698SS**  trans-80.3110.1171.5-66.8-170.7131.800109.8P454 Q458P454-E456 PolarHBondContact O-N 2.59Å; E456-Q458 PolarHBondContact O-N 3.45Å; E456-Q458 VanDerWaalsContact O-N 3.16Å
457G25.8Very low27.2Very low81 Ų81134.1 Ų134.184%0.83573%0.725SS**  trans-74.998172.600000110.8G455G455-G457 PolarHBondContact O-N 3.36Å
458Q26.4Very low27Very low170 Ų170140.6 Ų140.679%0.79476%0.76SS**  trans-96.196.3-177.7-165.7167.845.700111.4E456 H460E456-Q458 PolarHBondContact O-N 3.45Å; E456-Q458 VanDerWaalsContact O-N 3.16Å; Q458-H460 PolarHBondContact O-N 3.03Å
459E25.5Very low26.7Very low184 Ų184143.9 Ų143.986%0.8679%0.79SS**  trans-68.7117.3175.1-73.4-166.5118.200111.9V461E459-V461 PolarHBondContact O-N 3.33Å
460H25Very low26.2Very low179 Ų179144.7 Ų144.783%0.82982%0.818SS**  trans-79.3107170.7-96.2-79.7000111.4Q458Q458-H460 PolarHBondContact O-N 3.03Å
461V26.4Very low26.2Very low132 Ų132143.9 Ų143.980%0.883%0.83SS**  trans-108.5102.5162.8-179.40000109.4E459E459-V461 PolarHBondContact O-N 3.33Å
462G23.8Very low26.3Very low74 Ų74142.8 Ų142.876%0.76384%0.838SS**  trans-83.9132.7178.100000113.2
463R25.7Very low26.3Very low248 Ų248135 Ų13594%0.93683%0.833SS**  trans-139.6126.8156.7-82-168.5171.9179.7-1.7110.7
464T26Very low26.5Very low136 Ų136137.2 Ų137.283%0.83484%0.84SS**  trans-83.5155.9164.638.90000110.7
465V26.7Very low26.2Very low136 Ų136137.3 Ų137.382%0.82484%0.842SS**  trans176.6125.8133.9147.10000111.3
466A27.1Very low26.5Very low98 Ų98145.2 Ų145.281%0.8185%0.847SS**  trans47.6153.514900000124.1
467E26.4Very low26.8Very low188 Ų188142.2 Ų142.288%0.87984%0.843SS**  trans-86.4151.7175.5-53.6157102.100112.8
468V26.3Very low27.2Very low153 Ų153146.7 Ų146.793%0.92785%0.847SS**  trans-143.3142.7147.8-177.20000108
469A26.8Very low27.7Very low99 Ų99146.6 Ų146.682%0.81885%0.851SS**  trans-110.9147.9-171.900000114.7
470G25Very low28.3Very low81 Ų81143 Ų14384%0.83584%0.844SS**  trans97.511714300000119.5
471S27Very low28.8Very low129 Ų129140.1 Ų140.190%0.90284%0.841SS**  -163.8159126.3-162.80000111.9
472L27.4Very low29.3Very low175 Ų175139.5 Ų139.592%0.91684%0.84SS**  trans-90.3156.1-167.4-71.3148.6000114.2
473G26.4Very low30.2Very low77 Ų77141.5 Ų141.579%0.79484%0.839SS**  trans-166.679.2177.200000116.3
474L30Very low30.9Very low164 Ų164135.3 Ų135.386%0.85983%0.831SS**  trans-29.9156.7165.1-64.3167.1000117.6
475C24.8Very low31.4Very low115 Ų115135 Ų13578%0.77783%0.832SS**  cis179136.1-23.1-129.90000110.3
476R30.7Very low31.7Very low245 Ų245133.2 Ų133.293%0.92583%0.831SS**  trans-170.4146.4148-119.3179.7179.9-169.3-1.2113.7
477P33.9Very low31.9Very low122 Ų122133.5 Ų133.579%0.79283%0.834SS**PPolyproline II helixtrans-90.4157.9176.40.220.3000113.4
478L34.4Very low32.2Very low176 Ų176133.5 Ų133.592%0.92183%0.834SS**PPolyproline II helixtrans-94.7148.1169.5-68.5170.8000111.3
479L35.8Very low32.4Very low167 Ų167131.6 Ų131.687%0.87483%0.827SS**PPolyproline II helixtrans-87.6152175-76163.4000111.4
480P38.8Very low32.9Very low109 Ų109132.7 Ų132.771%0.70883%0.826SS**PPolyproline II helixtrans-70.9155.4173.131.1-35.3000112.2
481P36.5Very low33.1Very low119 Ų119137 Ų13777%0.77383%0.828SS**PPolyproline II helixtrans-73.7156.5-179.230.9-36000113.2
482P36.2Very low33.4Very low119 Ų119139 Ų13977%0.77383%0.828SS**PPolyproline II helixtrans-77.3157.7179.232.7-36.2000113.3
483P42.1Very low33.6Very low115 Ų115138.2 Ų138.275%0.74782%0.824SS**PPolyproline II helixtrans-75159.2176.532.2-36.1000113.1
484P39.9Very low33.7Very low119 Ų119141 Ų14177%0.77382%0.821SS**PPolyproline II helixtrans-72.3154.4179.130.6-36000113.1
485P36.7Very low33.9Very low129 Ų129138.5 Ų138.584%0.83882%0.817SS**PPolyproline II helixtrans-72.1153.4179.130.4-35.5000113.1
486A33.2Very low34.5Very low98 Ų98138.8 Ų138.881%0.8182%0.815SS**PPolyproline II helixtrans-74.3153.7-177.500000113.6
487A32.6Very low35Very low105 Ų105131.6 Ų131.687%0.86881%0.809SS**PPolyproline II helixtrans-67.9147.7-178.300000113.4
488Q31.5Very low35.1Very low188 Ų188133.6 Ų133.688%0.87981%0.812SS**  trans-114.3149.3164.5-67.4-172.6-4.900109.8
489S31.4Very low35.3Very low112 Ų112130.6 Ų130.678%0.78380%0.803SS**PPolyproline II helixtrans-69.4139.2-171.6-49.10000112.7
490P35.9Very low35.4Very low122 Ų122128.5 Ų128.579%0.79280%0.799SS**PPolyproline II helixtrans-70.5136170.929.9-33.5000110.6
491L31.1Very low35.5Very low171 Ų171129.5 Ų129.590%0.89580%0.803SS**PPolyproline II helixtrans-73.9139.2169.4-68167.7000109.6
492L31.5Very low35.5Very low172 Ų172127.4 Ų127.490%0.90179%0.789SS**PPolyproline II helixtrans-64.2135168.5-97.174000109.9
493L33.2Very low35.4Very low159 Ų159130.1 Ų130.183%0.83280%0.797SS**  trans-114.3121161-149.578.4000108.4S495L493-S495 PolarHBondContact O-OG 2.75Å
494D28.2Very low35Very low136 Ų136133 Ų13373%0.72779%0.794SS**  trans-67.9135.4-173-163.1-10.4000111.1T496D494-T496 PolarHBondContact OD1-OG1 3.02Å
495S33.8Very low34.6Very low110 Ų110138.1 Ų138.177%0.76980%0.798SS**  trans-12453.3-166.9-680000111.6L493L493-S495 PolarHBondContact O-OG 2.75Å
496T37.1Very low34.6Very low121 Ų121140.4 Ų140.474%0.74280%0.802SS**  trans-121.241.6-177.951.70000112.8D494D494-T496 PolarHBondContact OD1-OG1 3.02Å
497A41Very low34.5Very low95 Ų95146.6 Ų146.679%0.78580%0.804SS**SBendtrans-135.317.2-173.900000116.4
498L36.9Very low34.3Very low164 Ų164152.7 Ų152.786%0.85981%0.805SS**SBendtrans-135135.6172.3-71.2175.2000111.5
499P37.2Very low34.1Very low113 Ų113153.3 Ų153.373%0.73481%0.805SS**PPolyproline II helixtrans-76.2138.3178.230.8-33.9000111.6V501P499-V501 PolarHBondContact O-N 3.36Å
500P38.8Very low33.9Very low122 Ų122154 Ų15479%0.79281%0.806SS**PPolyproline II helixtrans-72.1122.9-178.828.1-34.1000112P502P500-P502 WeakPolarHBondContact O-CD 3.46Å
501V40.7Very low33.6Very low130 Ų130153.6 Ų153.679%0.78881%0.806SS**PPolyproline II helixtrans-73.1122.7173.7-179.60000109.6P499 L503P499-V501 PolarHBondContact O-N 3.36Å; V501-L503 PolarHBondContact O-N 3.1Å
502P36Very low33.4Very low75 Ų75149 Ų14949%0.48780%0.799SS.*  trans-75.5111.1-171.7-17.531.6000114P500 Y504P500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-Y504 HydrophobicContact CB-CD1 3.68Å; P502-Y504 HydrophobicContact CB-CE1 3.39Å; P502-Y504 HydrophobicContact CG-CE1 4.4Å; P502-Y504 PolarHBondContact O-N 3.17Å
503L34.7Very low33.2Very low177 Ų177148.9 Ų148.993%0.92780%0.799SS**THydrogen-bonded Turntrans-65.49.6-177.3-71.5171.2000116.3V501V501-L503 PolarHBondContact O-N 3.1Å
504Y33.2Very low32.9Very low176 Ų176148.2 Ų148.269%0.6980%0.795SS**THydrogen-bonded Turntrans-98.4-1.2-176.164.9-102.1000115.6P502 L506P502-Y504 HydrophobicContact CB-CD1 3.68Å; P502-Y504 HydrophobicContact CB-CE1 3.39Å; P502-Y504 HydrophobicContact CG-CE1 4.4Å; P502-Y504 PolarHBondContact O-N 3.17Å; Y504-L506 PolarHBondContact O-N 3.18Å
505R31.2Very low32.7Very low226 Ų226145.2 Ų145.285%0.85380%0.797SS**THydrogen-bonded Turntrans-83.23.4-176.6-82.9-169.7166.6-168.2-3.8116.7
506L37Very low32.6Very low176 Ų176149.6 Ų149.692%0.92180%0.798SS**THydrogen-bonded Turntrans-9517175.6-81.3170.3000114.8Y504Y504-L506 PolarHBondContact O-N 3.18Å
507R30.8Very low31.9Very low228 Ų228147.5 Ų147.586%0.8680%0.8SS**SBendtrans-108.1106.8175.1-70.9-172.7175-171.2-1.3112
508R28.7Very low31.3Very low233 Ų233153.1 Ų153.188%0.87980%0.803SS**  trans82.3105.5173.1-55.1177.6175.5-178.3-2.1117.3
509F27.6Very low30.8Very low202 Ų202154.5 Ų154.589%0.88680%0.804SS**  trans-136.1155.5134.4-87.8-76.7000108.3C511F509-C511 PolarHBondContact O-N 3.21Å
510P27.2Very low30.4Very low125 Ų125156.6 Ų156.681%0.81281%0.809SS**  trans-87.4104.3-160.132.6-34.3000113.7
511C28.9Very low30.1Very low115 Ų115156.7 Ų156.778%0.77781%0.81SS**  trans-83.3142.7152.144.20000109.7F509F509-C511 PolarHBondContact O-N 3.21Å
512G27.1Very low29.5Very low73 Ų73153.7 Ų153.775%0.75381%0.806SS**  trans-70.6141.9-179.700000112.5I514G512-I514 PolarHBondContact O-N 2.98Å; G512-I514 VanDerWaalsContact O-N 3.1Å
513N27.2Very low29.2Very low171 Ų171158.2 Ų158.291%0.91483%0.825SS**  trans-69.5104178.3-71.6-16.9000111.1
514I27.6Very low29.2Very low144 Ų144155.5 Ų155.574%0.73882%0.818SS**  trans-90.2109.3159.1-62.4177000106.9G512 Y516G512-I514 PolarHBondContact O-N 2.98Å; G512-I514 VanDerWaalsContact O-N 3.1Å; I514-Y516 PolarHBondContact O-N 3.11Å
515G24.5Very low29.1Very low74 Ų74155.5 Ų155.576%0.76383%0.829SS**  trans-79.4114.7-17800000112.1G517G515-G517 PolarHBondContact O-N 3.17Å
516Y30.2Very low29.1Very low201 Ų201152.8 Ų152.879%0.78883%0.832SS**  trans-76.999.7170.1-70.2-86000110.4I514 Y518I514-Y516 PolarHBondContact O-N 3.11Å; Y516-Y518 PolarHBondContact O-N 3.02Å
517G24Very low28.8Very low77 Ų77149 Ų14979%0.79483%0.826SS**  trans-78.790.4173.400000111.9G515G515-G517 PolarHBondContact O-N 3.17Å
518Y27.3Very low28.9Very low214 Ų214145.8 Ų145.884%0.83983%0.826SS**  trans-72.1126.6164.1-86.6-97.5000109.8Y516Y516-Y518 PolarHBondContact O-N 3.02Å
519Q26.4Very low29.4Very low192 Ų192139.9 Ų139.990%0.89782%0.817SS**  trans-98.8113.3163.7-71.6-174.5-7.400108.3
520D28.7Very low30.1Very low157 Ų157136.2 Ų136.284%0.8481%0.814SS**  trans-106.4124.7177.7-145.1-8.7000108.7G522D520-G522 PolarHBondContact O-N 3.42Å
521P32.5Very low30.4Very low124 Ų124138.4 Ų138.481%0.80582%0.818SS**  trans-8584.3-164.132.7-35.8000114.2
522G28.3Very low31Very low68 Ų68138.8 Ų138.870%0.70182%0.819SS**  trans93.5133.5138.900000119.2D520D520-G522 PolarHBondContact O-N 3.42Å
523L29.7Very low31.4Very low169 Ų169144.3 Ų144.389%0.88583%0.825SS**  trans-163159.7133.6-97.5168.7000106.9
524P34.8Very low31.8Very low120 Ų120145.9 Ų145.978%0.77983%0.827SS**PPolyproline II helixtrans-77.8156.2-162.130.7-36.1000114.8
525L31.2Very low31.9Very low177 Ų177142.4 Ų142.493%0.92783%0.827SS**PPolyproline II helixtrans-86125.1176.8-72.9161.7000111.6
526D30.8Very low32.4Very low169 Ų169145.5 Ų145.590%0.90483%0.831SS**PPolyproline II helixtrans-82.8155.3161.2-107.3-45.6000111.4
527A32.1Very low32.5Very low97 Ų97141.3 Ų141.380%0.80283%0.831SS**PPolyproline II helixtrans-82.4147.8-166.900000114.6
528N32.9Very low32.9Very low160 Ų160142.1 Ų142.186%0.85683%0.825SS**  trans-115.1135.5173.2-120.4-20.8000110.6
529P37.8Very low33.2Very low108 Ų108141.1 Ų141.170%0.70183%0.83SS**  trans-81161.517933.4-35.2000113
530P43Very low33.3Very low126 Ų126135.6 Ų135.682%0.81882%0.824SS**  trans-83.9156.6-174.633.8-36.4000114.4
531L32.6Very low33.6Very low170 Ų170134 Ų13489%0.8983%0.826SS**  trans-111.3152.2167.1-80.3167.1000111.1
532P43.1Very low33.6Very low123 Ų123132.7 Ų132.780%0.79983%0.826SS**  trans-92.5167-161.236.2-38000115.9
533Q35.7Very low34Very low189 Ų189133.5 Ų133.588%0.88383%0.825SS**  trans-87.2144.3172.6-63.1177.7-10.600113.2
534Q33.8Very low34.3Very low204 Ų204133 Ų13395%0.95382%0.818SS**  trans-172155.5150.9-103167.739.400107.1
535G31.4Very low34.4Very low72 Ų72133.2 Ų133.274%0.74281%0.809SS**  cis-164.8174.3-2.800000109.4
536T33.2Very low34.5Very low139 Ų139135.3 Ų135.385%0.85380%0.804SS**  trans-107.3177.2-166.850.40000115.3
537S32.4Very low34.6Very low112 Ų112130.5 Ų130.578%0.78380%0.795SS**  trans90.4161.6160.780.10000119.6
538S32.9Very low36.1Very low95 Ų95131.8 Ų131.866%0.66480%0.795SS**  -171.5165.4-50.860.20000111.5
539M33.8Very low36.3Very low192 Ų192129.8 Ų129.895%0.94679%0.793SS**  trans66158.7174.8-51.9-170.5179.800115.8
540G29.1Very low36.6Very low76 Ų76133 Ų13378%0.78480%0.801SS**  cis155.9160.5-3.800000109.9
541S33.7Very low38Very low125 Ų125132.2 Ų132.287%0.87480%0.796SS**  cis-171171.4-11.5-167.80000110.3
542A34.1Very low38.4Very low96 Ų96127.9 Ų127.979%0.79379%0.785SS**  trans67159166.700000119.6
543A36.8Very low39.5Very low84 Ų84131.7 Ų131.769%0.69481%0.809SS**  cis-171.5178-27.200000112.4
544H35.3Very low39.7Very low159 Ų159128.8 Ų128.874%0.73681%0.806SS**  trans88114.6163.9-74.723.2000119
545Q36.3Very low40Very low125 Ų125124.8 Ų124.858%0.58480%0.798SS**  86.413883.4-77-167.78200113.1
546R33.8Very low40.5Very low221 Ų221127.8 Ų127.883%0.83480%0.801SS**  cis-153.7167.95.8-111.1179.6-156.4-164.95.8110.6
547G32.8Very low40.9Very low68 Ų68127.1 Ų127.170%0.70180%0.798SS**  trans-85.8-162.8167.800000114
548P63Low41.5Very low124 Ų124128.1 Ų128.181%0.80580%0.799SS**  cis-151.7-168.540.642.2-19.9000118.8
549S38.4Very low42.1Very low117 Ų117130.3 Ų130.382%0.81881%0.808SS**  trans86.4123.2149.738.70000124
550M44.1Very low42.6Very low175 Ų175125.9 Ų125.986%0.86280%0.798SS**  trans-82-170.3164.1-88.1-81.4-14500111.2
551P72.5Confident43.7Very low110 Ų110129.7 Ų129.771%0.71480%0.799SS**  cis-144159.711.842.1-22.7000120.2
552A41.3Very low44.5Very low79 Ų79130.1 Ų130.165%0.65379%0.793SS**  trans53.3-179.5133.100000120.2
553P65.9Low45.5Very low203 Ų203133.2 Ų133.2100%1.31879%0.793SS**  cis-63.401.7-20.935.1000115.3

Retrieved 553 of 553 residues in 147.8 ms (Link to these results)

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