A0A087Y0B7_POEFO Loading...

Mitochondrial fission regulator

Plays a role in mitochondrial aerobic respiration. Regulates mitochondrial organization and fission.

AlphaFold DB , UniProt , Accession A0A087Y0B7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 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
1M58.6Low85.5Confident205 Ų205102.1 Ų102.1100%1.0155%0.547SS*.  0120.20-56.1-43.7-165.800107.3E5M1-E5 WeakPolarHBondContact CA-OE2 3.05Å
2S83.6Confident85.6Confident59 Ų59105.4 Ų105.441%0.41355%0.546SS..  trans-80.8140.1179.2176.20000109V4 E5 D6S2-V4 PolarHBondContact O-N 3.45Å; S2-E5 PolarHBondContact N-OE2 3.2Å; S2-E5 WeakPolarHBondContact O-CB 3.45Å; S2-E5 PolarHBondContact O-N 2.78Å; S2-D6 PolarHBondContact O-N 3.24Å
3L88.3Confident85.8Confident138 Ų138106.8 Ų106.872%0.72355%0.551SS**Hα-helixtrans-48.3-29.3173.7-83.6162.3000113.2I7L3-I7 WeakPolarHBondContact O-CD1 3.33Å; L3-I7 WeakPolarHBondContact O-CG1 3.39Å; L3-I7 PolarHBondContact O-N 2.82Å; L3-I7 VanDerWaalsContact O-N 3.14Å
4V86.4Confident86.1Confident91 Ų91104.1 Ų104.155%0.55254%0.541SS*.Hα-helixtrans-68.2-37.2178.1179.90000111.9S2 L8S2-V4 PolarHBondContact O-N 3.45Å; V4-L8 HydrophobicContact CG1-CD1 4.35Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.49Å; V4-L8 PolarHBondContact O-N 3.37Å; V4-L8 VanDerWaalsContact O-N 3.09Å
5E88.6Confident86.2Confident95 Ų9598.5 Ų98.544%0.44451%0.512SS..Hα-helixtrans-67.9-45.7178-65.3162.8168.300109.7M1 S2 I7 L8 D9M1-E5 WeakPolarHBondContact CA-OE2 3.05Å; S2-E5 PolarHBondContact N-OE2 3.2Å; S2-E5 WeakPolarHBondContact O-CB 3.45Å; S2-E5 PolarHBondContact O-N 2.78Å; E5-I7 VanDerWaalsContact C-N 3.3Å; E5-I7 PolarHBondContact O-N 3.09Å; E5-L8 PolarHBondContact O-N 2.88Å; E5-L8 VanDerWaalsContact O-N 3.09Å; E5-D9 PolarHBondContact O-N 2.67Å
6D89.4Confident86.2Confident81 Ų8198.9 Ų98.943%0.43352%0.515SS..Hα-helixtrans-59-41.4176.7-61.1-25.1000111.8S2 D9 V10S2-D6 PolarHBondContact O-N 3.24Å; D6-D9 PolarHBondContact O-N 2.84Å; D6-V10 VanDerWaalsContact O-CG2 3.29Å; D6-V10 WeakPolarHBondContact O-CG2 3.28Å; D6-V10 PolarHBondContact O-N 3.14Å
7I90.4Very high86.4Confident113 Ų113104.4 Ų104.458%0.57953%0.529SS*.Hα-helixtrans-65-40.9176.9-69.3164.4000111.3L3 E5 D9 L11L3-I7 WeakPolarHBondContact O-CD1 3.33Å; L3-I7 WeakPolarHBondContact O-CG1 3.39Å; L3-I7 PolarHBondContact O-N 2.82Å; L3-I7 VanDerWaalsContact O-N 3.14Å; E5-I7 VanDerWaalsContact C-N 3.3Å; E5-I7 PolarHBondContact O-N 3.09Å; I7-D9 VanDerWaalsContact C-N 3.35Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 PolarHBondContact O-N 2.95Å
8L88.1Confident86.4Confident82 Ų82102.7 Ų102.743%0.42952%0.518SS..Hα-helixtrans-67.5-37.3178.2-72.3173.8000111.7V4 E5 L11 R12V4-L8 HydrophobicContact CG1-CD1 4.35Å; V4-L8 VanDerWaalsContact O-CG 3.29Å; V4-L8 WeakPolarHBondContact O-CG 3.49Å; V4-L8 PolarHBondContact O-N 3.37Å; V4-L8 VanDerWaalsContact O-N 3.09Å; E5-L8 PolarHBondContact O-N 2.88Å; E5-L8 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 3.28Å; L8-R12 WeakPolarHBondContact O-CB 3.26Å; L8-R12 VanDerWaalsContact O-CG 3.24Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 2.86Å
9D88.2Confident86.2Confident84 Ų8499.2 Ų99.245%0.44951%0.51SS..Hα-helixtrans-68-43.8177.2-71.6-21.1000111.4E5 D6 I7 L11 R12 M13E5-D9 PolarHBondContact O-N 2.67Å; D6-D9 PolarHBondContact O-N 2.84Å; I7-D9 VanDerWaalsContact C-N 3.35Å; D9-L11 VanDerWaalsContact C-N 3.31Å; D9-L11 PolarHBondContact O-N 2.89Å; D9-R12 PolarHBondContact O-N 2.87Å; D9-M13 WeakPolarHBondContact O-CG 3.28Å; D9-M13 PolarHBondContact O-N 3.48Å
10V91Very high86.1Confident82 Ų8294.2 Ų94.250%0.49748%0.484SS..Hα-helixtrans-59.3-43.9172.2173.50000111D6 R12 M13 V14D6-V10 VanDerWaalsContact O-CG2 3.29Å; D6-V10 WeakPolarHBondContact O-CG2 3.28Å; D6-V10 PolarHBondContact O-N 3.14Å; V10-R12 PolarHBondContact O-N 2.99Å; V10-M13 HydrophobicContact CB-CE 4.41Å; V10-M13 HydrophobicContact CG2-CE 4.02Å; V10-M13 PolarHBondContact O-N 3.38Å; V10-V14 HydrophobicContact CG1-CG2 4.45Å; V10-V14 VanDerWaalsContact O-CG2 3.3Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 3.29Å
11L88.5Confident85.7Confident93 Ų9392 Ų9249%0.48748%0.476SS..Hα-helixtrans-62.5-42.2177.7-176.766.6000111.9I7 L8 D9 V14 L15I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 PolarHBondContact O-N 2.95Å; L8-L11 PolarHBondContact O-N 3.28Å; D9-L11 VanDerWaalsContact C-N 3.31Å; D9-L11 PolarHBondContact O-N 2.89Å; L11-V14 PolarHBondContact O-N 3.47Å; L11-L15 HydrophobicContact CD1-CD1 4.28Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 3.99Å; L11-L15 HydrophobicContact CG-CG 4.49Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.3Å
12R86.1Confident86.4Confident142 Ų14284.7 Ų84.754%0.53644%0.444SS..Hα-helixtrans-62.4-45.3176.3-74169.7-174-135.63.2111.5L8 D9 V10 V14 L15 D16L8-R12 WeakPolarHBondContact O-CB 3.26Å; L8-R12 VanDerWaalsContact O-CG 3.24Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 2.86Å; D9-R12 PolarHBondContact O-N 2.87Å; V10-R12 PolarHBondContact O-N 2.99Å; R12-V14 VanDerWaalsContact C-N 3.34Å; R12-V14 PolarHBondContact O-N 2.93Å; R12-L15 PolarHBondContact O-N 2.99Å; R12-D16 WeakPolarHBondContact O-CB 3.47Å; R12-D16 PolarHBondContact O-N 3.46Å
13M88.4Confident85.8Confident124 Ų12489.9 Ų89.961%0.61146%0.462SS*.Hα-helixtrans-60.1-43.4176.7-72.5-171.9-69.800112D9 V10 Y17D9-M13 WeakPolarHBondContact O-CG 3.28Å; D9-M13 PolarHBondContact O-N 3.48Å; V10-M13 HydrophobicContact CB-CE 4.41Å; V10-M13 HydrophobicContact CG2-CE 4.02Å; V10-M13 PolarHBondContact O-N 3.38Å; M13-Y17 PolarHBondContact O-N 2.92Å
14V89.5Confident84.9Confident69 Ų6986 Ų8642%0.41844%0.44SS..Hα-helixtrans-66.1-43178.2172.70000111.2V10 L11 R12 Y17 F18V10-V14 HydrophobicContact CG1-CG2 4.45Å; V10-V14 VanDerWaalsContact O-CG2 3.3Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 3.29Å; L11-V14 PolarHBondContact O-N 3.47Å; R12-V14 VanDerWaalsContact C-N 3.34Å; R12-V14 PolarHBondContact O-N 2.93Å; V14-Y17 WeakPolarHBondContact O-CB 3.42Å; V14-Y17 PolarHBondContact O-N 3.42Å; V14-F18 HydrophobicContact CG1-CD2 4.02Å; V14-F18 HydrophobicContact CG1-CE2 3.85Å; V14-F18 WeakPolarHBondContact O-CD2 3.5Å; V14-F18 PolarHBondContact O-N 3.22Å
15L87.8Confident84.2Confident19 Ų1984.9 Ų84.910%0.09943%0.431CS..Hα-helixtrans-66.2-39.4179.1-72.6173.7000112.2L11 R12 F18 G19 V20 L25 I40 I44L11-L15 HydrophobicContact CD1-CD1 4.28Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 3.99Å; L11-L15 HydrophobicContact CG-CG 4.49Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.3Å; R12-L15 PolarHBondContact O-N 2.99Å; L15-F18 CarbonylContact O-C 3.51Å; L15-F18 PolarHBondContact O-N 3.28Å; L15-F18 VanDerWaalsContact O-N 3.15Å; L15-G19 PolarHBondContact O-N 3.44Å; L15-V20 CarbonylContact C-O 3.5Å; L15-V20 HydrophobicContact CB-CB 4.19Å; L15-V20 HydrophobicContact CD2-CB 4.46Å; L15-V20 WeakPolarHBondContact O-CB 3.42Å; L15-V20 PolarHBondContact O-N 2.91Å; L15-L25 HydrophobicContact CD1-CD1 3.82Å; L15-L25 HydrophobicContact CD1-CD2 4.24Å; L15-I40 HydrophobicContact CD2-CG2 3.92Å; L15-I44 HydrophobicContact CD2-CD1 4.37Å
16D87Confident83.1Confident105 Ų10583.6 Ų83.656%0.56143%0.429SS*.Hα-helixtrans-64.7-39.8176.3-163.138.5000111.6R12 F18 G19R12-D16 WeakPolarHBondContact O-CB 3.47Å; R12-D16 PolarHBondContact O-N 3.46Å; D16-F18 PolarHBondContact O-N 3.13Å; D16-G19 WeakPolarHBondContact O-CA 3.47Å; D16-G19 PolarHBondContact O-N 3.41Å
17Y88.5Confident81.7Confident193 Ų19383.6 Ų83.676%0.75743%0.434SS*.Hα-helixtrans-57-35.2172.2176.9-97.3000113M13 V14 G19M13-Y17 PolarHBondContact O-N 2.92Å; V14-Y17 WeakPolarHBondContact O-CB 3.42Å; V14-Y17 PolarHBondContact O-N 3.42Å; Y17-G19 VanDerWaalsContact C-N 3.29Å; Y17-G19 PolarHBondContact O-N 2.93Å
18F86.4Confident80Confident74 Ų7482.9 Ų82.933%0.32544%0.435SS..THydrogen-bonded Turntrans-88.211.4175.1-69.2-68.3000114.1V14 L15 D16 I44 N47 L48V14-F18 HydrophobicContact CG1-CD2 4.02Å; V14-F18 HydrophobicContact CG1-CE2 3.85Å; V14-F18 WeakPolarHBondContact O-CD2 3.5Å; V14-F18 PolarHBondContact O-N 3.22Å; L15-F18 CarbonylContact O-C 3.51Å; L15-F18 PolarHBondContact O-N 3.28Å; L15-F18 VanDerWaalsContact O-N 3.15Å; D16-F18 PolarHBondContact O-N 3.13Å; F18-I44 HydrophobicContact CB-CB 4.5Å; F18-I44 HydrophobicContact CB-CD1 4.45Å; F18-I44 HydrophobicContact CB-CG1 3.94Å; F18-I44 HydrophobicContact CB-CG2 4.11Å; F18-I44 HydrophobicContact CD1-CG2 4.04Å; F18-I44 HydrophobicContact CG-CG2 4.14Å; F18-N47 WeakPolarHBondContact O-CB 3.48Å; F18-N47 PolarHBondContact O-ND2 3.46Å; F18-L48 HydrophobicContact CD1-CD2 4.34Å; F18-L48 HydrophobicContact CE1-CD2 4.42Å
19G82.8Confident78.2Confident35 Ų3590.7 Ų90.736%0.36146%0.459SS..THydrogen-bonded Turntrans73.127.4176.900000114L15 D16 Y17 P21 N47L15-G19 PolarHBondContact O-N 3.44Å; D16-G19 WeakPolarHBondContact O-CA 3.47Å; D16-G19 PolarHBondContact O-N 3.41Å; Y17-G19 VanDerWaalsContact C-N 3.29Å; Y17-G19 PolarHBondContact O-N 2.93Å; G19-P21 WeakPolarHBondContact O-CD 3.26Å; G19-N47 PolarHBondContact O-ND2 2.93Å
20V85.1Confident76.8Confident0 Ų092.7 Ų92.70%047%0.469CS..  trans-105.696175-179.20000108.6L15 L25 M43 I44L15-V20 CarbonylContact C-O 3.5Å; L15-V20 HydrophobicContact CB-CB 4.19Å; L15-V20 HydrophobicContact CD2-CB 4.46Å; L15-V20 WeakPolarHBondContact O-CB 3.42Å; L15-V20 PolarHBondContact O-N 2.91Å; V20-L25 HydrophobicContact CG1-CD2 3.84Å; V20-M43 HydrophobicContact CB-CE 4.22Å; V20-M43 HydrophobicContact CG1-CE 3.72Å; V20-M43 HydrophobicContact CG1-SD 4.26Å; V20-M43 HydrophobicContact CG2-CB 3.82Å; V20-M43 HydrophobicContact CG2-CE 4.22Å; V20-I44 HydrophobicContact CG2-CG1 3.66Å
21P78.2Confident75.4Confident47 Ų4790.5 Ų90.531%0.30546%0.458SS..  trans-67.9143.1179.326.8-33.4000110.5G19 E23 M24G19-P21 WeakPolarHBondContact O-CD 3.26Å; P21-E23 PolarHBondContact O-N 2.72Å; P21-E23 VanDerWaalsContact O-N 3.15Å; P21-M24 HydrophobicContact CG-CB 4.13Å; P21-M24 HydrophobicContact CG-CG 3.7Å; P21-M24 HydrophobicContact CG-SD 3.71Å; P21-M24 PolarHBondContact O-N 3.42Å
22P71.8Confident74.3Confident53 Ų5395.3 Ų95.334%0.34448%0.478SS..G310 helixtrans-61.4-26.8-176.123.9-33.5000113.1M24 L25P22-M24 PolarHBondContact O-N 3.38Å; P22-L25 WeakPolarHBondContact O-CB 3.32Å; P22-L25 PolarHBondContact O-N 3.05Å
23E72.5Confident73.5Confident168 Ų16892.2 Ų92.279%0.78547%0.471SS*.G310 helixtrans-66.3-18.7176.2-53.1-54.6156.700113.5P21P21-E23 PolarHBondContact O-N 2.72Å; P21-E23 VanDerWaalsContact O-N 3.15Å
24M69Low72.6Confident55 Ų5591.5 Ų91.527%0.27148%0.477SS..G310 helixtrans-95.7-0.9178.4-66.6-167.478.600113.2P21 P22 V26 L33 Y37 M43P21-M24 HydrophobicContact CG-CB 4.13Å; P21-M24 HydrophobicContact CG-CG 3.7Å; P21-M24 HydrophobicContact CG-SD 3.71Å; P21-M24 PolarHBondContact O-N 3.42Å; P22-M24 PolarHBondContact O-N 3.38Å; M24-V26 PolarHBondContact O-N 3.13Å; M24-L33 HydrophobicContact CE-CD1 4.11Å; M24-Y37 HydrophobicContact CE-CD1 3.12Å; M24-Y37 HydrophobicContact CE-CE1 3.29Å; M24-Y37 HydrophobicContact CE-CG 3.81Å; M24-Y37 HydrophobicContact SD-CD1 4.16Å; M24-Y37 HydrophobicContact SD-CE1 3.89Å; M24-M43 HydrophobicContact CB-CE 3.84Å; M24-M43 HydrophobicContact CE-CE 4.29Å; M24-M43 HydrophobicContact SD-CE 3.93Å
25L71.1Confident72Confident68 Ų6890.1 Ų90.136%0.35648%0.477SS..  trans-78.450.7171.6-59.3173.6000110.5L15 V20 P22 I40L15-L25 HydrophobicContact CD1-CD1 3.82Å; L15-L25 HydrophobicContact CD1-CD2 4.24Å; V20-L25 HydrophobicContact CG1-CD2 3.84Å; P22-L25 WeakPolarHBondContact O-CB 3.32Å; P22-L25 PolarHBondContact O-N 3.05Å; L25-I40 HydrophobicContact CD2-CD1 3.67Å; L25-I40 HydrophobicContact CD2-CG1 3.86Å
26V66Low71.6Confident68 Ų6893 Ų9341%0.41249%0.49SS..  trans-66.9135167.4-178.90000107M24 V28 D30M24-V26 PolarHBondContact O-N 3.13Å; V26-V28 PolarHBondContact O-N 3.05Å; V26-D30 HydrophobicContact CG1-CB 4.01Å
27P59.9Low71.3Confident81 Ų8192.5 Ų92.553%0.52648%0.481SS..  trans-46.7128.9174.5-27.734.4000110.4W29 D30P27-W29 PolarHBondContact O-N 3.4Å; P27-D30 PolarHBondContact O-N 3.49Å
28V54.1Low70.9Confident99 Ų9989 Ų8960%0.647%0.466SS*.THydrogen-bonded Turntrans-52.7-17.6-172.61770000113.6V26V26-V28 PolarHBondContact O-N 3.05Å
29W49.9Very low70.7Confident245 Ų24586.6 Ų86.693%0.92846%0.459SS*.THydrogen-bonded Turntrans-84.6-16.3-179.2-50.485000114.4P27P27-W29 PolarHBondContact O-N 3.4Å
30D58.7Low70.8Confident127 Ų12788.2 Ų88.268%0.67946%0.458SS*.THydrogen-bonded Turntrans-108.4-3.8177.8-77.6-29.3000113.3V26 P27 Q32V26-D30 HydrophobicContact CG1-CB 4.01Å; P27-D30 PolarHBondContact O-N 3.49Å; D30-Q32 PolarHBondContact O-N 3.48Å; D30-Q32 VanDerWaalsContact O-N 3.17Å
31S61.8Low70.9Confident36 Ų3693.7 Ų93.725%0.25249%0.492SS..  trans-77.7106-176.6-174.50000111.2L33S31-L33 PolarHBondContact O-N 3.22Å; S31-L33 VanDerWaalsContact OG-CB 3.27Å; S31-L33 WeakPolarHBondContact OG-CB 3.44Å; S31-L33 WeakPolarHBondContact OG-CG 3.39Å; S31-L33 PolarHBondContact OG-N 2.98Å
32Q66.5Low71.3Confident194 Ų19496.6 Ų96.691%0.90750%0.496SS*.  trans-74.13.6164.7-63.117913.200112.2D30 C34D30-Q32 PolarHBondContact O-N 3.48Å; D30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-C34 PolarHBondContact O-N 2.89Å
33L68Low72Confident77 Ų7794.4 Ų94.440%0.40348%0.482SS..  trans-76.8123.3-172.9-51.3173.7000110.4M24 S31 Y37M24-L33 HydrophobicContact CE-CD1 4.11Å; S31-L33 PolarHBondContact O-N 3.22Å; S31-L33 VanDerWaalsContact OG-CB 3.27Å; S31-L33 WeakPolarHBondContact OG-CB 3.44Å; S31-L33 WeakPolarHBondContact OG-CG 3.39Å; S31-L33 PolarHBondContact OG-N 2.98Å; L33-Y37 VanDerWaalsContact CB-CB 3.47Å
34C69.4Low72.8Confident108 Ų10888.3 Ų88.373%0.7345%0.454SS*.  trans-92.7169.3179.169.70000111.8Q32 Q36Q32-C34 PolarHBondContact O-N 2.89Å; C34-Q36 PolarHBondContact O-N 3.32Å
35G78.1Confident73.7Confident40 Ų4087.5 Ų87.541%0.41246%0.46SS..G310 helixtrans67.6-122.9173.100000113.3Y37 R38G35-Y37 VanDerWaalsContact C-N 3.3Å; G35-Y37 PolarHBondContact O-N 3.36Å; G35-R38 WeakPolarHBondContact O-CD 3.36Å; G35-R38 VanDerWaalsContact O-CG 3.29Å; G35-R38 WeakPolarHBondContact O-CG 3.28Å; G35-R38 PolarHBondContact O-NH1 3.49Å
36Q78.6Confident74.3Confident79 Ų7987.6 Ų87.637%0.36946%0.463SS..G310 helixtrans-67.8-28.6-174.169.6-169.316.600113.6C34 R38 R42 M43 T46C34-Q36 PolarHBondContact O-N 3.32Å; Q36-R38 PolarHBondContact O-N 3.35Å; Q36-R42 CarbonylContact O-C 3.38Å; Q36-R42 WeakPolarHBondContact O-CB 3.27Å; Q36-M43 VanDerWaalsContact O-CG 3.28Å; Q36-M43 WeakPolarHBondContact O-CG 3.3Å; Q36-M43 PolarHBondContact O-N 3.43Å; Q36-M43 VanDerWaalsContact O-N 3.12Å; Q36-T46 HydrophobicContact CB-CG2 3.63Å
37Y81.4Confident75.1Confident95 Ų9588.4 Ų88.437%0.37347%0.465SS..G310 helixtrans-89.93.7-174.5-59.3-63000114.4M24 L33 G35 S39 M43M24-Y37 HydrophobicContact CE-CD1 3.12Å; M24-Y37 HydrophobicContact CE-CE1 3.29Å; M24-Y37 HydrophobicContact CE-CG 3.81Å; M24-Y37 HydrophobicContact SD-CD1 4.16Å; M24-Y37 HydrophobicContact SD-CE1 3.89Å; L33-Y37 VanDerWaalsContact CB-CB 3.47Å; G35-Y37 VanDerWaalsContact C-N 3.3Å; G35-Y37 PolarHBondContact O-N 3.36Å; Y37-S39 PolarHBondContact O-N 3.43Å; Y37-M43 HydrophobicContact CD1-CE 4.14Å; Y37-M43 HydrophobicContact CD1-CG 4.03Å; Y37-M43 HydrophobicContact CD1-SD 4.23Å; Y37-M43 HydrophobicContact CE1-CE 4.48Å
38R80.1Confident76.4Confident119 Ų11987.7 Ų87.745%0.44946%0.457SS..G310 helixtrans-73.6-12.1-179.378.3-173.2-178.1-97.417114.5G35 Q36 R42G35-R38 WeakPolarHBondContact O-CD 3.36Å; G35-R38 VanDerWaalsContact O-CG 3.29Å; G35-R38 WeakPolarHBondContact O-CG 3.28Å; G35-R38 PolarHBondContact O-NH1 3.49Å; Q36-R38 PolarHBondContact O-N 3.35Å; R38-R42 VanDerWaalsContact NE-CD 3.29Å; R38-R42 VanDerWaalsContact NE-NE 3.15Å; R38-R42 VanDerWaalsContact NE-NH1 3.13Å
39S82.3Confident77.8Confident24 Ų2489.2 Ų89.217%0.16847%0.469CS..  trans-167.1145.9179.556.40000110.7Y37 V41 R42 M43Y37-S39 PolarHBondContact O-N 3.43Å; S39-V41 PolarHBondContact O-N 3.15Å; S39-R42 PolarHBondContact O-N 3.5Å; S39-R42 WeakPolarHBondContact OG-CB 3.44Å; S39-R42 WeakPolarHBondContact OG-CD 3.38Å; S39-R42 VanDerWaalsContact OG-CG 3.24Å; S39-R42 WeakPolarHBondContact OG-CG 3.39Å; S39-R42 PolarHBondContact OG-NH1 3.04Å; S39-M43 PolarHBondContact O-N 2.68Å; S39-M43 VanDerWaalsContact O-N 3.12Å
40I84.7Confident79.3Confident70 Ų7083.4 Ų83.436%0.35946%0.455SS..Hα-helixtrans-50.6-45175.7-61.4169.7000111.5L15 L25 R42 M43 I44L15-I40 HydrophobicContact CD2-CG2 3.92Å; L25-I40 HydrophobicContact CD2-CD1 3.67Å; L25-I40 HydrophobicContact CD2-CG1 3.86Å; I40-R42 PolarHBondContact O-N 3.33Å; I40-R42 VanDerWaalsContact O-N 3.12Å; I40-M43 PolarHBondContact O-N 3.48Å; I40-M43 VanDerWaalsContact O-N 3.15Å; I40-I44 HydrophobicContact CG2-CD1 3.79Å; I40-I44 HydrophobicContact CG2-CG1 4.29Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 3.29Å
41V87.1Confident80.5Confident115 Ų11586.9 Ų86.970%0.69746%0.464SS*.Hα-helixtrans-54.5-35.3177.81780000112.6S39 G45S39-V41 PolarHBondContact O-N 3.15Å; V41-G45 PolarHBondContact O-N 2.96Å
42R86.8Confident81.4Confident107 Ų10791 Ų9140%0.40449%0.49SS..Hα-helixtrans-85-32.7-178-71.5178.9175.8114.2-12.4112.9Q36 R38 S39 I40 G45 T46Q36-R42 CarbonylContact O-C 3.38Å; Q36-R42 WeakPolarHBondContact O-CB 3.27Å; R38-R42 VanDerWaalsContact NE-CD 3.29Å; R38-R42 VanDerWaalsContact NE-NE 3.15Å; R38-R42 VanDerWaalsContact NE-NH1 3.13Å; S39-R42 PolarHBondContact O-N 3.5Å; S39-R42 WeakPolarHBondContact OG-CB 3.44Å; S39-R42 WeakPolarHBondContact OG-CD 3.38Å; S39-R42 VanDerWaalsContact OG-CG 3.24Å; S39-R42 WeakPolarHBondContact OG-CG 3.39Å; S39-R42 PolarHBondContact OG-NH1 3.04Å; I40-R42 PolarHBondContact O-N 3.33Å; I40-R42 VanDerWaalsContact O-N 3.12Å; R42-G45 PolarHBondContact O-N 3.39Å; R42-T46 WeakPolarHBondContact O-CG2 3.46Å; R42-T46 PolarHBondContact O-N 3.11Å; R42-T46 PolarHBondContact O-OG1 3.24Å
43M86.5Confident82Confident8 Ų885.6 Ų85.64%0.03948%0.478CS..Hα-helixtrans-61-49.7170-64.5175.661.900109.9V20 M24 Q36 Y37 S39 I40 G45 T46 N47V20-M43 HydrophobicContact CB-CE 4.22Å; V20-M43 HydrophobicContact CG1-CE 3.72Å; V20-M43 HydrophobicContact CG1-SD 4.26Å; V20-M43 HydrophobicContact CG2-CB 3.82Å; V20-M43 HydrophobicContact CG2-CE 4.22Å; M24-M43 HydrophobicContact CB-CE 3.84Å; M24-M43 HydrophobicContact CE-CE 4.29Å; M24-M43 HydrophobicContact SD-CE 3.93Å; Q36-M43 VanDerWaalsContact O-CG 3.28Å; Q36-M43 WeakPolarHBondContact O-CG 3.3Å; Q36-M43 PolarHBondContact O-N 3.43Å; Q36-M43 VanDerWaalsContact O-N 3.12Å; Y37-M43 HydrophobicContact CD1-CE 4.14Å; Y37-M43 HydrophobicContact CD1-CG 4.03Å; Y37-M43 HydrophobicContact CD1-SD 4.23Å; Y37-M43 HydrophobicContact CE1-CE 4.48Å; S39-M43 PolarHBondContact O-N 2.68Å; S39-M43 VanDerWaalsContact O-N 3.12Å; I40-M43 PolarHBondContact O-N 3.48Å; I40-M43 VanDerWaalsContact O-N 3.15Å; M43-G45 PolarHBondContact O-N 3.29Å; M43-T46 PolarHBondContact O-N 3.26Å; M43-T46 PolarHBondContact O-OG1 3.22Å; M43-N47 PolarHBondContact O-N 2.84Å; M43-N47 VanDerWaalsContact O-N 3.14Å; M43-N47 PolarHBondContact O-ND2 2.91Å
44I88.4Confident82.7Confident40 Ų4087.9 Ų87.921%0.20550%0.498CS..Hα-helixtrans-57.8-52173.9-62.4174.5000109.4L15 F18 V20 I40 T46 N47 L48L15-I44 HydrophobicContact CD2-CD1 4.37Å; F18-I44 HydrophobicContact CB-CB 4.5Å; F18-I44 HydrophobicContact CB-CD1 4.45Å; F18-I44 HydrophobicContact CB-CG1 3.94Å; F18-I44 HydrophobicContact CB-CG2 4.11Å; F18-I44 HydrophobicContact CD1-CG2 4.04Å; F18-I44 HydrophobicContact CG-CG2 4.14Å; V20-I44 HydrophobicContact CG2-CG1 3.66Å; I40-I44 HydrophobicContact CG2-CD1 3.79Å; I40-I44 HydrophobicContact CG2-CG1 4.29Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 3.29Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 2.98Å; I44-N47 PolarHBondContact O-N 2.92Å; I44-L48 HydrophobicContact CG2-CG 4.48Å; I44-L48 WeakPolarHBondContact O-CG 3.41Å; I44-L48 PolarHBondContact O-N 2.91Å; I44-L48 VanDerWaalsContact O-N 3.14Å
45G87.9Confident83.4Confident38 Ų3892.5 Ų92.539%0.39250%0.5SS..Hα-helixtrans-58.6-30.4-17800000115.2V41 R42 M43V41-G45 PolarHBondContact O-N 2.96Å; R42-G45 PolarHBondContact O-N 3.39Å; M43-G45 PolarHBondContact O-N 3.29Å
46T84.1Confident83.6Confident70 Ų7095.7 Ų95.743%0.42951%0.511SS..Hα-helixtrans-82.5-24.717548.30000114.1Q36 R42 M43 I44Q36-T46 HydrophobicContact CB-CG2 3.63Å; R42-T46 WeakPolarHBondContact O-CG2 3.46Å; R42-T46 PolarHBondContact O-N 3.11Å; R42-T46 PolarHBondContact O-OG1 3.24Å; M43-T46 PolarHBondContact O-N 3.26Å; M43-T46 PolarHBondContact O-OG1 3.22Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 2.98Å
47N83.6Confident83.7Confident85 Ų8599.8 Ų99.846%0.45553%0.53SS..Hα-helixtrans-84.3-13.6177.3-70.4-36.5000112.9F18 G19 M43 I44F18-N47 WeakPolarHBondContact O-CB 3.48Å; F18-N47 PolarHBondContact O-ND2 3.46Å; G19-N47 PolarHBondContact O-ND2 2.93Å; M43-N47 PolarHBondContact O-N 2.84Å; M43-N47 VanDerWaalsContact O-N 3.14Å; M43-N47 PolarHBondContact O-ND2 2.91Å; I44-N47 PolarHBondContact O-N 2.92Å
48L86Confident83.6Confident65 Ų65103.5 Ų103.534%0.3455%0.549SS..SBendtrans-69.2142.4175.6-67.2173.7000110.7F18 I44 L50F18-L48 HydrophobicContact CD1-CD2 4.34Å; F18-L48 HydrophobicContact CE1-CD2 4.42Å; I44-L48 HydrophobicContact CG2-CG 4.48Å; I44-L48 WeakPolarHBondContact O-CG 3.41Å; I44-L48 PolarHBondContact O-N 2.91Å; I44-L48 VanDerWaalsContact O-N 3.14Å; L48-L50 HydrophobicContact CB-CD1 3.94Å; L48-L50 HydrophobicContact CB-CG 3.82Å; L48-L50 HydrophobicContact CD1-CD1 3.89Å; L48-L50 PolarHBondContact O-N 2.69Å
49P83.3Confident83.4Confident131 Ų131106.3 Ų106.385%0.85157%0.567SS**  trans-75.554.3177.133.6-37.2000111.4
50L83.1Confident82.8Confident123 Ų123111.9 Ų111.964%0.64459%0.593SS**PPolyproline II helixtrans-102.1134.3179.2-60177000109.3L48L48-L50 HydrophobicContact CB-CD1 3.94Å; L48-L50 HydrophobicContact CB-CG 3.82Å; L48-L50 HydrophobicContact CD1-CD1 3.89Å; L48-L50 PolarHBondContact O-N 2.69Å
51K82.3Confident82.2Confident201 Ų201112.9 Ų112.987%0.87460%0.604SS**PPolyproline II helixtrans-66.6125.5169.4-68.5-179.3-180176.40108A53K51-A53 PolarHBondContact O-N 3.31Å
52P81.3Confident80.7Confident121 Ų121114.8 Ų114.879%0.78661%0.61SS**PPolyproline II helixtrans-60.6130.8176.424.6-32.2000108.7
53A79.3Confident79.2Confident81 Ų81115.3 Ų115.367%0.66963%0.625SS**PPolyproline II helixtrans-58.6138.3174.100000109.2K51 R55K51-A53 PolarHBondContact O-N 3.31Å; A53-R55 PolarHBondContact O-N 3.25Å
54P83.4Confident77.3Confident125 Ų125119.8 Ų119.881%0.81265%0.653SS**PPolyproline II helixtrans-58.3118.5177.824.6-32.8000108.5V56P54-V56 PolarHBondContact O-N 2.99Å
55R82.4Confident75.2Confident205 Ų205127.6 Ų127.677%0.77468%0.681SS**PPolyproline II helixtrans-73.8123.7174.7-68.9177.2179.2-104.7-0.8106.9A53 H57A53-R55 PolarHBondContact O-N 3.25Å; R55-H57 PolarHBondContact O-CD2 2.82Å; R55-H57 PolarHBondContact O-N 3.05Å
56V83.1Confident73.1Confident107 Ų107134.3 Ų134.365%0.64870%0.699SS**  trans-66.8110172.7-173.70000107P54 F58P54-V56 PolarHBondContact O-N 2.99Å; V56-F58 HydrophobicContact CB-CE2 4.19Å; V56-F58 HydrophobicContact CB-CZ 4.1Å; V56-F58 HydrophobicContact CG1-CD1 4.15Å; V56-F58 HydrophobicContact CG1-CD2 4.43Å; V56-F58 HydrophobicContact CG1-CE1 3.62Å; V56-F58 HydrophobicContact CG1-CE2 3.94Å; V56-F58 HydrophobicContact CG1-CZ 3.51Å; V56-F58 PolarHBondContact O-N 3.36Å
57H80.2Confident71.2Confident166 Ų166139.1 Ų139.177%0.76972%0.716SS**  trans-87.8105.5172.8-70.5-80.2000107.4R55 Q59R55-H57 PolarHBondContact O-CD2 2.82Å; R55-H57 PolarHBondContact O-N 3.05Å; H57-Q59 PolarHBondContact O-N 3.48Å
58F80.1Confident69.5Low173 Ų173143.7 Ų143.776%0.75974%0.735SS**  trans-77.1107.8168.1-57.6-75.9000107.3V56 I60V56-F58 HydrophobicContact CB-CE2 4.19Å; V56-F58 HydrophobicContact CB-CZ 4.1Å; V56-F58 HydrophobicContact CG1-CD1 4.15Å; V56-F58 HydrophobicContact CG1-CD2 4.43Å; V56-F58 HydrophobicContact CG1-CE1 3.62Å; V56-F58 HydrophobicContact CG1-CE2 3.94Å; V56-F58 HydrophobicContact CG1-CZ 3.51Å; V56-F58 PolarHBondContact O-N 3.36Å; F58-I60 PolarHBondContact O-N 3.47Å; F58-I60 VanDerWaalsContact O-N 3.12Å
59Q75.1Confident67.2Low177 Ų177143.7 Ų143.783%0.82775%0.75SS**  trans-70.8103.4161.2-174.3170.11.500105.7H57 P61H57-Q59 PolarHBondContact O-N 3.48Å; Q59-P61 WeakPolarHBondContact O-CD 3.46Å
60I71.2Confident65.4Low142 Ų142146.6 Ų146.673%0.72875%0.746SS**  trans-73.1106.8166.5-59169.7000104F58 L62F58-I60 PolarHBondContact O-N 3.47Å; F58-I60 VanDerWaalsContact O-N 3.12Å; I60-L62 PolarHBondContact O-N 3.01Å
61P70.4Confident63.4Low91 Ų91148 Ų14859%0.59175%0.752SS**  trans-62.4116.4172.4-12.730.7000104.8Q59 V63Q59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-V63 PolarHBondContact O-N 3.46Å
62L55.9Low61.7Low154 Ų154146 Ų14681%0.80675%0.746SS**  trans-59.9100162.3-75.1166.5000104.3I60 T64I60-L62 PolarHBondContact O-N 3.01Å; L62-T64 PolarHBondContact O-N 3.32Å
63V55.4Low59.9Low119 Ų119146.6 Ų146.672%0.72175%0.747SS**  trans-66.482.8169.2-176.20000104.9P61 Y65P61-V63 PolarHBondContact O-N 3.46Å; V63-Y65 PolarHBondContact O-N 3.31Å
64T47.4Very low58Low102 Ų102151.9 Ų151.963%0.62676%0.758SS**  trans-59.9111.3158.255.50000103.9L62 K66L62-T64 PolarHBondContact O-N 3.32Å; T64-K66 PolarHBondContact O-N 3.47Å
65Y44.7Very low56.6Low204 Ų204150.3 Ų150.380%0.876%0.755SS**  trans-62.478.4172.4-128.4-93.9000107.5V63 H67V63-Y65 PolarHBondContact O-N 3.31Å; Y65-H67 PolarHBondContact O-N 3.16Å
66K43.3Very low55.1Low179 Ų179148.2 Ų148.278%0.77876%0.76SS**  trans-80.6106.9166.2-75.1-84.6-179171.70103.9T64 H68T64-K66 PolarHBondContact O-N 3.47Å; K66-H68 PolarHBondContact O-N 3.35Å
67H44.4Very low53.4Low170 Ų170147 Ų14779%0.78776%0.761SS**  trans-48.9117.2171-88.5-85.6000109.2Y65 G69Y65-H67 PolarHBondContact O-N 3.16Å; H67-G69 PolarHBondContact O-N 2.9Å
68H46.2Very low52Low182 Ų182144.6 Ų144.684%0.84376%0.76SS**  trans-4.498.3161.1-159.670.6000115K66K66-H68 PolarHBondContact O-N 3.35Å
69G39.2Very low50.9Low64 Ų64141.2 Ų141.266%0.6676%0.764SS**  trans-121.9111158.800000106.9H67 I71H67-G69 PolarHBondContact O-N 2.9Å; G69-I71 PolarHBondContact O-N 2.8Å
70Y45.3Very low49.9Very low193 Ų193139.2 Ų139.276%0.75776%0.757SS**  trans-42.6113.3177.7-174.4-89000111.7
71I41.6Very low49.1Very low153 Ų153137.8 Ų137.879%0.78576%0.757SS**  trans-128.3120.3160.6-63.8-169.4000107.8G69G69-I71 PolarHBondContact O-N 2.8Å
72E45.2Very low48.7Very low159 Ų159137.8 Ų137.874%0.74376%0.756SS**  trans-53130.1175.8-159.8166.8-166.800110.6E74E72-E74 PolarHBondContact O-N 3.29Å
73V44.1Very low48.7Very low132 Ų132138.9 Ų138.980%0.875%0.754SS**  trans-75.5112.8-175.6171.10000109.2
74E39.3Very low48.9Very low192 Ų192136 Ų13690%0.89774%0.743SS**  trans-85.7127.2159.9-166168.1-169.400109E72 D76E72-E74 PolarHBondContact O-N 3.29Å; E74-D76 PolarHBondContact O-N 2.94Å
75A53.9Low49.3Very low92 Ų92136 Ų13676%0.7674%0.74SS**SBendtrans-86.497.4-167.200000111.9
76D50.5Low49.9Very low162 Ų162129.8 Ų129.887%0.86672%0.723SS**  trans-167.153.2153.3-15820.2000113.6E74E74-D76 PolarHBondContact O-N 2.94Å
77A49Very low50.5Low82 Ų82128 Ų12868%0.67872%0.719SS**SBendtrans-116.6129.4169.400000109.6A79A77-A79 PolarHBondContact O-N 3.39Å
78P50.9Low51Low114 Ų114130.6 Ų130.674%0.7472%0.722SS**  trans-57131.9175.724-32.3000108.7I80P78-I80 WeakPolarHBondContact O-CG1 3.46Å; P78-I80 PolarHBondContact O-N 3.39Å
79A56.3Low51.3Low102 Ų102127 Ų12784%0.84371%0.712SS**  trans-52.499.3-173.400000111A77 P81A77-A79 PolarHBondContact O-N 3.39Å; A79-P81 VanDerWaalsContact O-CD 3.3Å; A79-P81 WeakPolarHBondContact O-CD 3.38Å
80I53.8Low52.1Low136 Ų136132.6 Ų132.670%0.69772%0.719SS**  trans-76.5115.7173.4-58.5175.2000105P78 T82P78-I80 WeakPolarHBondContact O-CG1 3.46Å; P78-I80 PolarHBondContact O-N 3.39Å; I80-T82 PolarHBondContact O-N 3.28Å; I80-T82 PolarHBondContact O-OG1 3.36Å
81P53.6Low52.5Low112 Ų112130.4 Ų130.473%0.72772%0.72SS**  trans-57.9113.6175.322.3-30.2000107.6A79A79-P81 VanDerWaalsContact O-CD 3.3Å; A79-P81 WeakPolarHBondContact O-CD 3.38Å
82T63.8Low52.9Low91 Ų91132.7 Ų132.756%0.55872%0.72SS**  trans-94.4150.8-171.7-35.30000107.3I80 A84 D85I80-T82 PolarHBondContact O-N 3.28Å; I80-T82 PolarHBondContact O-OG1 3.36Å; T82-A84 PolarHBondContact O-N 3.37Å; T82-D85 PolarHBondContact N-OD2 3.16Å; T82-D85 WeakPolarHBondContact O-CB 3.2Å; T82-D85 PolarHBondContact O-N 3.38Å
83F54.6Low53.4Low176 Ų176134.8 Ų134.877%0.77273%0.73SS**Hα-helixtrans-58.9-11.8-179.8-85.8-81.9000114.6D85 V86 M87F83-D85 PolarHBondContact O-N 2.84Å; F83-V86 HydrophobicContact CD1-CB 4.18Å; F83-V86 HydrophobicContact CD1-CG2 4.06Å; F83-V86 PolarHBondContact O-N 3.28Å; F83-V86 VanDerWaalsContact O-N 3.16Å; F83-M87 PolarHBondContact O-N 2.75Å
84A59.8Low53.8Low60 Ų60130.6 Ų130.650%0.49671%0.714SS.*Hα-helixtrans-56.2-34.8167.900000112.4T82 V86 M87T82-A84 PolarHBondContact O-N 3.37Å; A84-V86 VanDerWaalsContact C-N 3.34Å; A84-M87 PolarHBondContact O-N 2.95Å
85D55.4Low54.4Low102 Ų102129.3 Ų129.355%0.54571%0.708SS.*Hα-helixtrans-75.4-24179.2-56.9-32.7000112.2T82 F83T82-D85 PolarHBondContact N-OD2 3.16Å; T82-D85 WeakPolarHBondContact O-CB 3.2Å; T82-D85 PolarHBondContact O-N 3.38Å; F83-D85 PolarHBondContact O-N 2.84Å
86V57.6Low54.3Low73 Ų73130 Ų13044%0.44271%0.707SS.*Hα-helixtrans-80.5-25.3178.4-176.90000111.3F83 A84 W88 V89F83-V86 HydrophobicContact CD1-CB 4.18Å; F83-V86 HydrophobicContact CD1-CG2 4.06Å; F83-V86 PolarHBondContact O-N 3.28Å; F83-V86 VanDerWaalsContact O-N 3.16Å; A84-V86 VanDerWaalsContact C-N 3.34Å; V86-W88 PolarHBondContact O-N 3.47Å; V86-V89 WeakPolarHBondContact O-CB 3.36Å; V86-V89 PolarHBondContact O-N 3.14Å
87M56.9Low54.4Low142 Ų142131 Ų13170%0.770%0.704SS**Hα-helixtrans-68.5-23.5179.3-150.714160.600112.2F83 A84 V89 F90F83-M87 PolarHBondContact O-N 2.75Å; A84-M87 PolarHBondContact O-N 2.95Å; M87-V89 VanDerWaalsContact C-N 3.29Å; M87-V89 PolarHBondContact O-N 3.04Å; M87-F90 PolarHBondContact O-N 3.44Å
88W53.1Low54.5Low223 Ų223130.8 Ų130.885%0.84570%0.702SS**THydrogen-bonded Turntrans-71.7-17.6170.1-92.368.5000114.1V86 F90V86-W88 PolarHBondContact O-N 3.47Å; W88-F90 VanDerWaalsContact C-N 3.32Å
89V53.2Low54.5Low106 Ų106136.8 Ų136.864%0.64271%0.71SS**THydrogen-bonded Turntrans-81.2-15.6178.6-175.60000111.5V86 M87V86-V89 WeakPolarHBondContact O-CB 3.36Å; V86-V89 PolarHBondContact O-N 3.14Å; M87-V89 VanDerWaalsContact C-N 3.29Å; M87-V89 PolarHBondContact O-N 3.04Å
90F56.4Low54.6Low183 Ų183136.6 Ų136.680%0.80370%0.698SS**THydrogen-bonded Turntrans-81-19.5-179.2-105.9-85000114.4M87 W88M87-F90 PolarHBondContact O-N 3.44Å; W88-F90 VanDerWaalsContact C-N 3.32Å
91D53.1Low54.8Low147 Ų147141.9 Ų141.979%0.78671%0.709SS**THydrogen-bonded Turntrans-96.25.8-179.5-76.4-14.3000113.6E93D91-E93 VanDerWaalsContact C-N 3.32Å; D91-E93 PolarHBondContact O-N 3.27Å
92Y50Low54.5Low200 Ų200143.1 Ų143.178%0.78471%0.71SS**  trans-78.986.2170.9-130-93.3000109.5G94Y92-G94 PolarHBondContact O-N 2.89Å
93E56.5Low53.8Low204 Ų204145.3 Ų145.395%0.95371%0.713SS**  trans-71.166.4168.8-166.8135.7-147.500109.8D91D91-E93 VanDerWaalsContact C-N 3.32Å; D91-E93 PolarHBondContact O-N 3.27Å
94G52.8Low53.6Low44 Ų44144.1 Ų144.145%0.45472%0.715SS.*SBendtrans-154.2107.5-178.100000110.9Y92Y92-G94 PolarHBondContact O-N 2.89Å
95E51.1Low53.1Low164 Ų164146 Ų14677%0.76672%0.722SS**  trans37.682.6167-59.9-176.5-178.500116.8F97E95-F97 HydrophobicContact CB-CD2 4.37Å; E95-F97 HydrophobicContact CB-CE2 3.8Å; E95-F97 HydrophobicContact CB-CZ 4.42Å; E95-F97 WeakPolarHBondContact O-CD2 3.46Å; E95-F97 PolarHBondContact O-N 2.92Å
96S51.1Low52.7Low106 Ų106146.6 Ų146.674%0.74173%0.731SS**  trans-71.396.1173.8-173.80000112.1A98S96-A98 VanDerWaalsContact C-N 3.29Å; S96-A98 PolarHBondContact OG-O 3.18Å
97F53.5Low51.8Low184 Ų184151 Ų15181%0.80774%0.744SS**  trans-84.1-1.1166.1-65.2-77.9000113.4E95E95-F97 HydrophobicContact CB-CD2 4.37Å; E95-F97 HydrophobicContact CB-CE2 3.8Å; E95-F97 HydrophobicContact CB-CZ 4.42Å; E95-F97 WeakPolarHBondContact O-CD2 3.46Å; E95-F97 PolarHBondContact O-N 2.92Å
98A50.2Low51.3Low77 Ų77154 Ų15464%0.63675%0.753SS**  trans-115.491.7178.200000110.7S96 T100S96-A98 VanDerWaalsContact C-N 3.29Å; S96-A98 PolarHBondContact OG-O 3.18Å; A98-T100 PolarHBondContact O-N 3.02Å
99R52.1Low50.5Low241 Ų241148.7 Ų148.791%0.90974%0.742SS**  trans-77.5106.7175.4-167.7175.6-174.3170.72.9109.9
100T57.7Low49.7Very low97 Ų97146.7 Ų146.760%0.59574%0.742SS**  trans-74.7143.2169.665.90000109.8A98 N102A98-T100 PolarHBondContact O-N 3.02Å; T100-N102 PolarHBondContact O-N 3.14Å; T100-N102 VanDerWaalsContact O-N 3.08Å
101R57.9Low48.9Very low248 Ų248145 Ų14594%0.93674%0.74SS**THydrogen-bonded Turntrans-64.2-13.2-174.3179.1172.8152.5146.4-4.2113.8
102N48.1Very low48Very low138 Ų138148 Ų14874%0.73875%0.746SS**THydrogen-bonded Turntrans-116.341.7-174.4-59.6-22.3000112.5T100 L104T100-N102 PolarHBondContact O-N 3.14Å; T100-N102 VanDerWaalsContact O-N 3.08Å; N102-L104 PolarHBondContact O-N 3.19Å
103H48.9Very low47.5Very low136 Ų136143.9 Ų143.963%0.6375%0.747SS**  trans-75.191.8170.3-164.3-76.1000109.6
104L50.6Low46.5Very low152 Ų152142.8 Ų142.880%0.79674%0.742SS**  trans-71.5130.5158.7-68.9174.1000107.4N102N102-L104 PolarHBondContact O-N 3.19Å
105P48.5Very low45.7Very low99 Ų99147.7 Ų147.764%0.64376%0.758SS**  trans-60.2139.8174.625.2-31.6000109.3K107P105-K107 PolarHBondContact O-N 3.21Å
106P48.3Very low45.2Very low115 Ų115146.6 Ų146.675%0.74776%0.756SS**  trans-59.4115.2175.522.6-30.8000108.8K108P106-K108 PolarHBondContact O-N 2.96Å; P106-K108 VanDerWaalsContact O-N 3.12Å
107K37.2Very low44.4Very low165 Ų165149.5 Ų149.572%0.71776%0.76SS**  trans-70.8106.5175.8-162.4-176.8178-138.70107P105 D109P105-K107 PolarHBondContact O-N 3.21Å; K107-D109 WeakPolarHBondContact CD-OD2 3.24Å; K107-D109 VanDerWaalsContact CE-OD2 3.25Å; K107-D109 WeakPolarHBondContact CE-OD2 3.33Å; K107-D109 IonicContact NZ-OD1 2.74Å; K107-D109 IonicContact NZ-OD2 3.63Å; K107-D109 PolarHBondContact NZ-OD2 2.81Å; K107-D109 PolarHBondContact O-N 3.36Å
108K48Very low43.4Very low205 Ų205150 Ų15089%0.89176%0.762SS**  trans-76.273.9176.5-160.7176.1-173.3174.80108.7P106P106-K108 PolarHBondContact O-N 2.96Å; P106-K108 VanDerWaalsContact O-N 3.12Å
109D35.8Very low42.6Very low112 Ų112155.6 Ų155.660%0.59977%0.772SS**  trans-85117167.2-71.1-20.1000107.4K107K107-D109 WeakPolarHBondContact CD-OD2 3.24Å; K107-D109 VanDerWaalsContact CE-OD2 3.25Å; K107-D109 WeakPolarHBondContact CE-OD2 3.33Å; K107-D109 IonicContact NZ-OD1 2.74Å; K107-D109 IonicContact NZ-OD2 3.63Å; K107-D109 PolarHBondContact NZ-OD2 2.81Å; K107-D109 PolarHBondContact O-N 3.36Å
110G35.7Very low41.8Very low63 Ų63150.4 Ų150.465%0.64977%0.769SS**  trans-69.4154.8-176.300000113.3
111I39.7Very low40.4Very low149 Ų149156.8 Ų156.876%0.76478%0.783SS**  trans53.598148-48.7171.7000114.3
112F33.7Very low39.2Very low209 Ų209152.2 Ų152.292%0.91778%0.776SS**  -162.5132.9124.2-92.3-69.1000109.7
113S39.8Very low38.9Very low113 Ų113150.6 Ų150.679%0.7977%0.773SS**  trans-68.1140.4-175.4-41.30000112.8
114Q36.2Very low38.1Very low182 Ų182150.7 Ų150.785%0.8577%0.774SS**  trans-150.381.1138.1-147.11642800111.1L116Q114-L116 PolarHBondContact O-N 3.18Å
115D34.8Very low37.1Very low147 Ų147151.8 Ų151.879%0.78678%0.78SS**  trans-55.9111.7145.5173.926.8000108.9
116L40.7Very low36.6Very low140 Ų140154.6 Ų154.673%0.73379%0.785SS**  trans-175.193.3152.3-109138.1000109.6Q114Q114-L116 PolarHBondContact O-N 3.18Å
117M36.1Very low35.9Very low168 Ų168153.3 Ų153.383%0.82878%0.784SS**SBend-172.180128.9-90-44-136.300110.9
118K31.2Very low35.9Very low193 Ų193153.6 Ų153.684%0.83979%0.788SS**  58.686.8128-141.6174-169.2178.30118.5
119F33.8Very low35.3Very low196 Ų196153.9 Ų153.986%0.8678%0.783SS**PPolyproline II helixtrans-78.8150.1147.6-67.3-85.7000111
120P34.3Very low35.2Very low131 Ų131159.8 Ų159.885%0.85180%0.797SS**PPolyproline II helixtrans-82.5126152.4-7.926000110.8
121R29.9Very low34.8Very low231 Ų231160.7 Ų160.787%0.87281%0.806SS**PPolyproline II helixtrans-86.2158.2173.6-74.5-176-170-1752.5112.5
122L31.8Very low34.4Very low152 Ų152157.4 Ų157.480%0.79681%0.809SS**  176.7166.3109.2-114.986.5000110.9
123P41.3Very low34.8Very low104 Ų104151.7 Ų151.768%0.67581%0.81SS**  cis-123.7142.5-25.719.24.3000112.6
124Q32.8Very low34.5Very low139 Ų139150 Ų15065%0.6581%0.81SS**  67.1104.990.5-161.4170.5-19.100115.8Q126Q124-Q126 HydrophobicContact CG-CG 4.49Å; Q124-Q126 VanDerWaalsContact NE2-NE2 3.17Å
125N29.9Very low34.6Very low174 Ų174147.2 Ų147.293%0.9381%0.809SS**  trans-141.4134.4136.6-96.3-33.1000109.7
126Q37.9Very low35Very low159 Ų159145.4 Ų145.474%0.74381%0.814SS**  trans-93.1174-172.2-64.5178.415.500111.5Q124Q124-Q126 HydrophobicContact CG-CG 4.49Å; Q124-Q126 VanDerWaalsContact NE2-NE2 3.17Å
127A33.2Very low35.2Very low87 Ų87149.8 Ų149.872%0.71982%0.821SS**  trans89.7128.3170.700000114.6
128E37.5Very low36.2Very low172 Ų172149.9 Ų149.980%0.80482%0.819SS**  cis-162.1137.510.6-117.7163.8130.900110
129R34.7Very low37.6Very low211 Ų211152.5 Ų152.580%0.79682%0.824SS**  trans47.1112.7138.1-60-69.2-164.2178.76.8121.4
130R33.9Very low39.2Very low236 Ų236147.6 Ų147.689%0.89181%0.81SS**  37.9122.9127.4-74.5-171.2-177.4-126.52119.7
131G28Very low41.5Very low81 Ų81145.4 Ų145.484%0.83579%0.791SS**  132.2116.612300000117.2
132G31.3Very low44.3Very low81 Ų81138.6 Ų138.684%0.83578%0.777SS**  trans95.2128.3149.100000116.3
133G41.5Very low47.1Very low89 Ų89136.4 Ų136.492%0.91876%0.762SS**  trans-69.5163.1-170.500000116.3
134G34.6Very low49.5Very low77 Ų77133.3 Ų133.379%0.79475%0.746SS**  trans167.2128.6171.500000111.3
135C38.5Very low52.4Low123 Ų123130.8 Ų130.883%0.83174%0.737SS**  trans3126.3169.8-76.30000117.6R137C135-R137 PolarHBondContact O-N 2.89Å
136A41.9Very low55.5Low109 Ų109129 Ų12990%0.90172%0.723SS**  trans-60.482.6154.900000108.8Q138A136-Q138 PolarHBondContact O-N 3.22Å
137R44.6Very low58.3Low232 Ų232126.8 Ų126.888%0.87571%0.71SS**  trans-65.894.1165.3-146.2178.1-169.7-177.82.1104.1C135 R139C135-R137 PolarHBondContact O-N 2.89Å; R137-R139 PolarHBondContact O-N 3.05Å
138Q58.4Low61.2Low170 Ų170126.6 Ų126.679%0.79470%0.696SS**  trans-51.4110.3172.1-166159.915.100105.8A136 V140A136-Q138 PolarHBondContact O-N 3.22Å; Q138-V140 PolarHBondContact O-N 3.28Å
139R59.6Low64Low249 Ų249123.3 Ų123.394%0.9468%0.684SS**  trans-63.698173.1-78.9-165.7-178.9-171.42.2105.4R137 D141R137-R139 PolarHBondContact O-N 3.05Å; R139-D141 PolarHBondContact O-N 3.06Å
140V68.4Low67Low93 Ų93118.5 Ų118.556%0.56467%0.671SS**  trans-70.4112.7170.8-178.50000105.6Q138 P142 L145Q138-V140 PolarHBondContact O-N 3.28Å; V140-P142 WeakPolarHBondContact O-CD 3.5Å; V140-L145 HydrophobicContact CG1-CD1 3.53Å; V140-L145 HydrophobicContact CG1-CD2 3.8Å; V140-L145 HydrophobicContact CG1-CG 3.52Å
141D82.3Confident70.1Confident84 Ų84112.2 Ų112.245%0.44966%0.655SS.*  trans-63.6118.7176.6177.718.1000109R139 E143 A144 L145R139-D141 PolarHBondContact O-N 3.06Å; D141-E143 PolarHBondContact O-N 3.39Å; D141-E143 PolarHBondContact OD1-N 3.12Å; D141-A144 HydrophobicContact CB-CB 4.07Å; D141-A144 WeakPolarHBondContact O-CB 3.49Å; D141-A144 PolarHBondContact O-N 3.02Å; D141-A144 VanDerWaalsContact O-N 3.11Å; D141-L145 PolarHBondContact O-N 3.01Å
142P88.1Confident73.4Confident89 Ų89113.8 Ų113.858%0.57864%0.64SS**Hα-helixtrans-61.5-27.1-179.125.8-35.5000112.4V140 L145 Q146V140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-L145 PolarHBondContact O-N 3.08Å; P142-Q146 WeakPolarHBondContact O-CG 3.08Å; P142-Q146 PolarHBondContact O-N 3.24Å; P142-Q146 VanDerWaalsContact O-N 3.15Å
143E90.6Very high76.5Confident105 Ų105112.3 Ų112.349%0.49162%0.617SS.*Hα-helixtrans-68-39.4176-165-172.2145.300111.3D141 L145 Q146 K147D141-E143 PolarHBondContact O-N 3.39Å; D141-E143 PolarHBondContact OD1-N 3.12Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.05Å; E143-Q146 PolarHBondContact O-N 3.48Å; E143-K147 WeakPolarHBondContact O-CG 3.28Å; E143-K147 PolarHBondContact O-N 3.18Å; E143-K147 VanDerWaalsContact OE1-CE 3.26Å; E143-K147 WeakPolarHBondContact OE1-CE 3.4Å; E143-K147 IonicContact OE1-NZ 2.68Å; E143-K147 PolarHBondContact OE1-NZ 3.34Å
144A92.2Very high79.2Confident40 Ų40112.3 Ų112.333%0.33159%0.593SS.*Hα-helixtrans-63.4-40.2175.600000111.9D141 Q146 K147 I148D141-A144 HydrophobicContact CB-CB 4.07Å; D141-A144 WeakPolarHBondContact O-CB 3.49Å; D141-A144 PolarHBondContact O-N 3.02Å; D141-A144 VanDerWaalsContact O-N 3.11Å; A144-Q146 PolarHBondContact O-N 3.12Å; A144-K147 PolarHBondContact O-N 3.16Å; A144-I148 VanDerWaalsContact O-CG1 3.27Å; A144-I148 WeakPolarHBondContact O-CG1 3.25Å; A144-I148 PolarHBondContact O-N 2.9Å
145L93.1Very high82.2Confident86 Ų86113 Ų11345%0.4558%0.578SS.*Hα-helixtrans-64.9-38175.8-70.5176.7000112.6V140 D141 P142 E143 I148 N149V140-L145 HydrophobicContact CG1-CD1 3.53Å; V140-L145 HydrophobicContact CG1-CD2 3.8Å; V140-L145 HydrophobicContact CG1-CG 3.52Å; D141-L145 PolarHBondContact O-N 3.01Å; P142-L145 PolarHBondContact O-N 3.08Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 3.05Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-N149 PolarHBondContact O-N 3.39Å; L145-N149 PolarHBondContact O-ND2 3.37Å
146Q94.8Very high85Confident137 Ų137113 Ų11364%0.6457%0.569SS**Hα-helixtrans-64.7-42.2175-74.1-179.2-5.700111.7P142 E143 A144 I148 N149 Q150P142-Q146 WeakPolarHBondContact O-CG 3.08Å; P142-Q146 PolarHBondContact O-N 3.24Å; P142-Q146 VanDerWaalsContact O-N 3.15Å; E143-Q146 PolarHBondContact O-N 3.48Å; A144-Q146 PolarHBondContact O-N 3.12Å; Q146-I148 PolarHBondContact O-N 2.92Å; Q146-N149 PolarHBondContact O-N 3.04Å; Q146-Q150 WeakPolarHBondContact O-CB 3.37Å; Q146-Q150 PolarHBondContact O-N 3.35Å
147K96.3Very high87.7Confident111 Ų111114.8 Ų114.848%0.48356%0.557SS.*Hα-helixtrans-62.3-41.3174.9-71.8174.7-174.8165.50111.9E143 A144 Q150 L151E143-K147 WeakPolarHBondContact O-CG 3.28Å; E143-K147 PolarHBondContact O-N 3.18Å; E143-K147 VanDerWaalsContact OE1-CE 3.26Å; E143-K147 WeakPolarHBondContact OE1-CE 3.4Å; E143-K147 IonicContact OE1-NZ 2.68Å; E143-K147 PolarHBondContact OE1-NZ 3.34Å; A144-K147 PolarHBondContact O-N 3.16Å; K147-Q150 PolarHBondContact O-N 3Å; K147-L151 VanDerWaalsContact O-CG 3.28Å; K147-L151 WeakPolarHBondContact O-CG 3.37Å; K147-L151 PolarHBondContact O-N 3.14Å
148I95.6Very high90.2Very high83 Ų83108.2 Ų108.243%0.42654%0.538SS..Hα-helixtrans-61-50.8175.5-68.5163.4000110.4A144 L145 Q146 Q150 L151 E152A144-I148 VanDerWaalsContact O-CG1 3.27Å; A144-I148 WeakPolarHBondContact O-CG1 3.25Å; A144-I148 PolarHBondContact O-N 2.9Å; L145-I148 PolarHBondContact O-N 3.41Å; Q146-I148 PolarHBondContact O-N 2.92Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.48Å; I148-L151 PolarHBondContact O-N 3.08Å; I148-E152 HydrophobicContact CG2-CG 4.42Å; I148-E152 WeakPolarHBondContact O-CG 3.21Å; I148-E152 PolarHBondContact O-N 3.46Å
149N95.9Very high92.1Very high103 Ų103108.4 Ų108.455%0.55153%0.532SS*.Hα-helixtrans-60.2-38.4178-77-28.4000112.5L145 Q146 E152 S153L145-N149 PolarHBondContact O-N 3.39Å; L145-N149 PolarHBondContact O-ND2 3.37Å; Q146-N149 PolarHBondContact O-N 3.04Å; N149-E152 PolarHBondContact O-N 3.33Å; N149-S153 PolarHBondContact O-N 2.76Å
150Q97.6Very high93.8Very high111 Ų11199.2 Ų99.252%0.51951%0.509SS..Hα-helixtrans-62.3-50.6176.2-177.2179.2-4.300111Q146 K147 I148 E152 S153 E154Q146-Q150 WeakPolarHBondContact O-CB 3.37Å; Q146-Q150 PolarHBondContact O-N 3.35Å; K147-Q150 PolarHBondContact O-N 3Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.48Å; Q150-E152 VanDerWaalsContact C-N 3.31Å; Q150-E152 PolarHBondContact O-N 3.05Å; Q150-S153 PolarHBondContact O-N 3.12Å; Q150-S153 VanDerWaalsContact O-N 3.13Å; Q150-S153 PolarHBondContact O-OG 2.74Å; Q150-E154 PolarHBondContact NE2-OE1 3.43Å; Q150-E154 PolarHBondContact O-N 2.72Å
151L98.1Very high95.1Very high104 Ų104100.2 Ų100.255%0.54551%0.508SS..Hα-helixtrans-61.4-38.8178.7-70173.6000112.1K147 I148 S153 E154 L155K147-L151 VanDerWaalsContact O-CG 3.28Å; K147-L151 WeakPolarHBondContact O-CG 3.37Å; K147-L151 PolarHBondContact O-N 3.14Å; I148-L151 PolarHBondContact O-N 3.08Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.99Å; L151-E154 PolarHBondContact O-N 2.81Å; L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 PolarHBondContact O-N 2.67Å
152E96.9Very high95.8Very high113 Ų113100.9 Ų100.953%0.52851%0.51SS..Hα-helixtrans-62.3-41174.8-74.3-177.8175.800112I148 N149 Q150 L155 L156I148-E152 HydrophobicContact CG2-CG 4.42Å; I148-E152 WeakPolarHBondContact O-CG 3.21Å; I148-E152 PolarHBondContact O-N 3.46Å; N149-E152 PolarHBondContact O-N 3.33Å; Q150-E152 VanDerWaalsContact C-N 3.31Å; Q150-E152 PolarHBondContact O-N 3.05Å; E152-L155 PolarHBondContact O-N 3.37Å; E152-L156 WeakPolarHBondContact O-CB 3.47Å; E152-L156 PolarHBondContact O-N 3.07Å
153S97.1Very high96.1Very high51 Ų5199 Ų9936%0.35750%0.503SS..Hα-helixtrans-66.6-38.3177.781.40000112.8N149 Q150 L151 L156 K157N149-S153 PolarHBondContact O-N 2.76Å; Q150-S153 PolarHBondContact O-N 3.12Å; Q150-S153 VanDerWaalsContact O-N 3.13Å; Q150-S153 PolarHBondContact O-OG 2.74Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-S153 PolarHBondContact O-N 2.99Å; S153-L156 PolarHBondContact O-N 2.98Å; S153-K157 WeakPolarHBondContact O-CG 3.29Å; S153-K157 PolarHBondContact O-N 3.06Å; S153-K157 VanDerWaalsContact O-N 3.13Å
154E97.7Very high96.2Very high88 Ų88100.4 Ų100.441%0.41151%0.511SS..Hα-helixtrans-69.4-40.7176.2-70.9178.1-166.700111Q150 L151 L156 K157 L158Q150-E154 PolarHBondContact NE2-OE1 3.43Å; Q150-E154 PolarHBondContact O-N 2.72Å; L151-E154 PolarHBondContact O-N 2.81Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.04Å; E154-K157 PolarHBondContact O-N 3.23Å; E154-L158 PolarHBondContact O-N 3.25Å
155L98.3Very high96.2Very high92 Ų92103.8 Ų103.848%0.48252%0.522SS..Hα-helixtrans-61.4-40.5172.8-97.1169000112.4L151 E152 K157 L158 R159L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 PolarHBondContact O-N 2.67Å; E152-L155 PolarHBondContact O-N 3.37Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-L158 PolarHBondContact O-N 3.42Å; L155-R159 WeakPolarHBondContact O-CB 3.29Å; L155-R159 VanDerWaalsContact O-CG 3.32Å; L155-R159 WeakPolarHBondContact O-CG 3.3Å; L155-R159 PolarHBondContact O-N 2.85Å
156L97.8Very high96.2Very high123 Ų123104.4 Ų104.464%0.64453%0.529SS*.Hα-helixtrans-63-43177.2-159.483.6000111E152 S153 E154 R159 A160E152-L156 WeakPolarHBondContact O-CB 3.47Å; E152-L156 PolarHBondContact O-N 3.07Å; S153-L156 PolarHBondContact O-N 2.98Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 3.04Å; L156-R159 PolarHBondContact O-N 3.23Å; L156-A160 PolarHBondContact O-N 3.22Å
157K97.4Very high95.6Very high146 Ų146103.5 Ų103.564%0.63553%0.533SS*.Hα-helixtrans-63.1-46.1175.5-71.9172.1-175.7170.80112S153 E154 L155 R159 A160 Q161S153-K157 WeakPolarHBondContact O-CG 3.29Å; S153-K157 PolarHBondContact O-N 3.06Å; S153-K157 VanDerWaalsContact O-N 3.13Å; E154-K157 PolarHBondContact O-N 3.23Å; L155-K157 VanDerWaalsContact C-N 3.34Å; K157-R159 VanDerWaalsContact C-N 3.34Å; K157-R159 PolarHBondContact O-N 3.47Å; K157-A160 PolarHBondContact O-N 3.05Å; K157-Q161 PolarHBondContact O-N 2.99Å
158L97.9Very high94.2Very high94 Ų94102 Ų10249%0.49254%0.541SS..Hα-helixtrans-60.7-43176.5-88.6169000111.8E154 L155 A160 Q161 I162E154-L158 PolarHBondContact O-N 3.25Å; L155-L158 PolarHBondContact O-N 3.42Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 3.08Å; L158-Q161 PolarHBondContact O-N 3.47Å; L158-I162 WeakPolarHBondContact O-CB 3.46Å; L158-I162 VanDerWaalsContact O-CG1 3.25Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.45Å
159R97.3Very high92.1Very high174 Ų174100.8 Ų100.866%0.65754%0.544SS*.Hα-helixtrans-62.2-40.9175.4-75.6178.5177.7-179.71.6112.1L155 L156 K157 I162 A163L155-R159 WeakPolarHBondContact O-CB 3.29Å; L155-R159 VanDerWaalsContact O-CG 3.32Å; L155-R159 WeakPolarHBondContact O-CG 3.3Å; L155-R159 PolarHBondContact O-N 2.85Å; L156-R159 PolarHBondContact O-N 3.23Å; K157-R159 VanDerWaalsContact C-N 3.34Å; K157-R159 PolarHBondContact O-N 3.47Å; R159-I162 PolarHBondContact O-N 3.34Å; R159-A163 VanDerWaalsContact O-CB 3.28Å; R159-A163 WeakPolarHBondContact O-CB 3.45Å; R159-A163 PolarHBondContact O-N 3.22Å
160A96.2Very high90.1Very high56 Ų56101.2 Ų101.246%0.46355%0.552SS.*Hα-helixtrans-64.2-42.3175.400000111.8L156 K157 L158 A163 M164L156-A160 PolarHBondContact O-N 3.22Å; K157-A160 PolarHBondContact O-N 3.05Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 3.08Å; A160-A163 PolarHBondContact O-N 3.37Å; A160-M164 WeakPolarHBondContact O-CG 3.27Å; A160-M164 PolarHBondContact O-N 2.86Å
161Q96.4Very high87.9Confident115 Ų115101.9 Ų101.954%0.53757%0.569SS.*Hα-helixtrans-64.8-43.4176.7-172.31793.300111.9K157 L158 A163 M164 I165K157-Q161 PolarHBondContact O-N 2.99Å; L158-Q161 PolarHBondContact O-N 3.47Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; Q161-M164 WeakPolarHBondContact O-CB 3.15Å; Q161-M164 PolarHBondContact O-N 3.39Å; Q161-I165 HydrophobicContact CG-CD1 4.33Å; Q161-I165 WeakPolarHBondContact O-CG1 3.17Å; Q161-I165 PolarHBondContact O-N 3.05Å
162I96.1Very high85.3Confident98 Ų98101.1 Ų101.150%0.50357%0.573SS.*Hα-helixtrans-61.7-45173.9-68.3165.2000109.9L158 R159 M164 I165 V166L158-I162 WeakPolarHBondContact O-CB 3.46Å; L158-I162 VanDerWaalsContact O-CG1 3.25Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.45Å; R159-I162 PolarHBondContact O-N 3.34Å; I162-M164 VanDerWaalsContact C-N 3.29Å; I162-M164 PolarHBondContact O-N 3.46Å; I162-I165 PolarHBondContact O-N 3.39Å; I162-I165 VanDerWaalsContact O-N 3.14Å; I162-V166 HydrophobicContact CG2-CG2 4.07Å; I162-V166 WeakPolarHBondContact O-CB 3.36Å; I162-V166 VanDerWaalsContact O-CG2 3.26Å; I162-V166 WeakPolarHBondContact O-CG2 3.27Å; I162-V166 PolarHBondContact O-N 3.31Å
163A94.8Very high82.8Confident50 Ų50101 Ų10141%0.41359%0.591SS.*Hα-helixtrans-60.6-38.9177.300000111.9R159 A160 Q161 T167R159-A163 VanDerWaalsContact O-CB 3.28Å; R159-A163 WeakPolarHBondContact O-CB 3.45Å; R159-A163 PolarHBondContact O-N 3.22Å; A160-A163 PolarHBondContact O-N 3.37Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; A163-T167 WeakPolarHBondContact O-CB 3.35Å; A163-T167 VanDerWaalsContact O-CG2 3.28Å; A163-T167 WeakPolarHBondContact O-CG2 3.44Å; A163-T167 PolarHBondContact O-N 3.29Å; A163-T167 PolarHBondContact O-OG1 3.3Å
164M91.6Very high80.4Confident134 Ų134105.6 Ų105.666%0.6661%0.61SS**Hα-helixtrans-62.9-44.5172.6-76.8-18054.900112.1A160 Q161 I162 T167 A168A160-M164 WeakPolarHBondContact O-CG 3.27Å; A160-M164 PolarHBondContact O-N 2.86Å; Q161-M164 WeakPolarHBondContact O-CB 3.15Å; Q161-M164 PolarHBondContact O-N 3.39Å; I162-M164 VanDerWaalsContact C-N 3.29Å; I162-M164 PolarHBondContact O-N 3.46Å; M164-T167 PolarHBondContact O-N 2.96Å; M164-T167 PolarHBondContact O-OG1 3.34Å; M164-A168 WeakPolarHBondContact O-CA 3.34Å; M164-A168 WeakPolarHBondContact O-CB 3.24Å; M164-A168 PolarHBondContact O-N 3.24Å
165I93.2Very high77.4Confident110 Ų110107.6 Ų107.656%0.56463%0.629SS**Hα-helixtrans-66.1-42179.2-66.6166.9000110.7Q161 I162 A169Q161-I165 HydrophobicContact CG-CD1 4.33Å; Q161-I165 WeakPolarHBondContact O-CG1 3.17Å; Q161-I165 PolarHBondContact O-N 3.05Å; I162-I165 PolarHBondContact O-N 3.39Å; I162-I165 VanDerWaalsContact O-N 3.14Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.38Å
166V92.4Very high74.5Confident100 Ų100110.3 Ų110.361%0.60664%0.639SS**Hα-helixtrans-68.6-36.6179.3172.30000111.4I162I162-V166 HydrophobicContact CG2-CG2 4.07Å; I162-V166 WeakPolarHBondContact O-CB 3.36Å; I162-V166 VanDerWaalsContact O-CG2 3.26Å; I162-V166 WeakPolarHBondContact O-CG2 3.27Å; I162-V166 PolarHBondContact O-N 3.31Å
167T83.1Confident71.2Confident117 Ų117111.5 Ų111.572%0.71865%0.652SS**Hα-helixtrans-83.4-26.8177.854.40000113.4A163 M164 A169A163-T167 WeakPolarHBondContact O-CB 3.35Å; A163-T167 VanDerWaalsContact O-CG2 3.28Å; A163-T167 WeakPolarHBondContact O-CG2 3.44Å; A163-T167 PolarHBondContact O-N 3.29Å; A163-T167 PolarHBondContact O-OG1 3.3Å; M164-T167 PolarHBondContact O-N 2.96Å; M164-T167 PolarHBondContact O-OG1 3.34Å; T167-A169 VanDerWaalsContact C-N 3.34Å
168A66.6Low68.5Low80 Ų80110.7 Ų110.766%0.66165%0.65SS**Hα-helixtrans-83.3-7.8171.400000113.2M164 P170M164-A168 WeakPolarHBondContact O-CA 3.34Å; M164-A168 WeakPolarHBondContact O-CB 3.24Å; M164-A168 PolarHBondContact O-N 3.24Å; A168-P170 WeakPolarHBondContact O-CD 3.35Å
169A52.3Low65.4Low58 Ų58113 Ų11348%0.47966%0.663SS.*SBendtrans-66117.4168.100000108.6I165 T167 S171I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.38Å; T167-A169 VanDerWaalsContact C-N 3.34Å; A169-S171 PolarHBondContact O-N 2.98Å; A169-S171 VanDerWaalsContact O-N 3.09Å
170P54.2Low62.8Low112 Ų112108.9 Ų108.973%0.72767%0.666SS**  trans-65.3117.3-179.425.4-31.9000109.5A168 S172A168-P170 WeakPolarHBondContact O-CD 3.35Å; P170-S172 PolarHBondContact O-N 2.99Å
171S51.2Low60.3Low124 Ų124111.9 Ų111.987%0.86768%0.681SS**SBendtrans-64.972.1151.5172.40000108.4A169A169-S171 PolarHBondContact O-N 2.98Å; A169-S171 VanDerWaalsContact O-N 3.09Å
172S43.8Very low57.3Low89 Ų89116.3 Ų116.362%0.62270%0.699SS**  trans-165.979.9166.2-81.60000108.7P170 L174P170-S172 PolarHBondContact O-N 2.99Å; S172-L174 VanDerWaalsContact C-N 3.33Å
173A43.8Very low54.5Low110 Ų110117 Ų11791%0.90971%0.713SS**  trans-107.145.514800000108.8
174L46.5Very low52.2Low147 Ų147120 Ų12077%0.7773%0.727SS**SBendtrans-119.9136.7144.2-82.5172000104.7S172S172-L174 VanDerWaalsContact C-N 3.33Å
175T35.4Very low49.5Very low131 Ų131120.5 Ų120.580%0.80473%0.732SS**SBendtrans69.4101.3176.749.20000118.4
176E36.1Very low46.7Very low149 Ų149122.4 Ų122.470%0.69674%0.74SS**  87.3113126.7-155166.5-173.500119.6Q178E176-Q178 PolarHBondContact OE1-NE2 2.91Å
177T29.8Very low44.1Very low147 Ų147122.5 Ų122.590%0.90275%0.745SS**  trans-140.6104148.9-22.90000107.5
178Q39.8Very low42.4Very low130 Ų130122.7 Ų122.761%0.60775%0.749SS**  trans-72.7147.5156-54.6-177.711.900107.1E176E176-Q178 PolarHBondContact OE1-NE2 2.91Å
179N33.6Very low41.2Very low142 Ų142123.1 Ų123.176%0.75975%0.752SS**  cis-158.4155.631.2-76.1-70.2000105.6
180A42.8Very low40.9Very low88 Ų88126.6 Ų126.673%0.72777%0.77SS**  cis-163.9162.130.100000109
181P43.3Very low40.5Very low118 Ų118129 Ų12977%0.76678%0.776SS**  -152139.1129.729.8-8.6000117.5
182F33.8Very low40.2Very low209 Ų209129.1 Ų129.192%0.91777%0.774SS**  trans18.9126137.4-58.5-85.3000122.5
183S37Very low39.9Very low113 Ų113129.6 Ų129.679%0.7978%0.783SS**  trans-166.6149147.5-169.80000106.7
184P45.3Very low39.9Very low111 Ų111132.5 Ų132.572%0.72178%0.782SS**  cis-151.216839.943.5-21.7000120.2
185L35.8Very low39.5Very low145 Ų145131.8 Ų131.876%0.75978%0.784SS**  trans81.4117.8141.5-141.768.9000120.7
186M33Very low39.8Very low150 Ų150131.3 Ų131.374%0.73979%0.786SS**  166.799.8117.3-79.5-9695.300111.5
187S39.2Very low40.4Very low102 Ų102129.5 Ų129.571%0.71379%0.785SS**  trans41.6163.5141.559.30000124.1
188P47.5Very low41.3Very low122 Ų122128.3 Ų128.379%0.79278%0.78SS**  cis-132.4-178-44.837.6-19.4000113.3
189A40.3Very low41.6Very low88 Ų88133.4 Ų133.473%0.72779%0.794SS**  trans-63.4174.5-176.100000116.5
190P46.8Very low42.6Very low131 Ų131135.3 Ų135.385%0.85180%0.798SS**  -136163.591.536-21.5000116.5
191L45.7Very low43.7Very low162 Ų162135.3 Ų135.385%0.84880%0.798SS**PPolyproline II helixtrans-61.5154-168.4-60.5144.5000116
192P44Very low44.8Very low127 Ų127135.2 Ų135.283%0.82580%0.797SS**PPolyproline II helixtrans-93.6141.4155.734.3-26.4000111.8
193A37.8Very low46.7Very low99 Ų99130.7 Ų130.782%0.81879%0.789SS**PPolyproline II helixtrans-66.1151.8-176.300000114.3
194L43.5Very low48.5Very low172 Ų172130.9 Ų130.990%0.90179%0.787SS**PPolyproline II helixtrans-59.6129.1177.6-58.1164.5000112
195T38.3Very low49.7Very low132 Ų132131.1 Ų131.181%0.8179%0.789SS**  trans-135.9126.9149.486.70000109.6
196S42Very low51.5Low120 Ų120129.7 Ų129.784%0.83979%0.789SS**  trans-83.5113.6-177.647.90000110.9
197T49Very low53.5Low111 Ų111128.2 Ų128.268%0.68179%0.79SS**  trans-142.6126.9155.650.30000109.2R199T197-R199 PolarHBondContact O-N 3.02Å
198P48Very low54.9Low122 Ų122128.9 Ų128.979%0.79279%0.792SS**  trans-74.4112.8175.328.6-28.9000108.7H200P198-H200 PolarHBondContact O-N 3.5Å
199R47.3Very low56.1Low237 Ų237128.4 Ų128.489%0.89479%0.789SS**  trans-73.1112.4171-75.9-174.8170.5-178.6-2.6108.9T197T197-R199 PolarHBondContact O-N 3.02Å
200H53.2Low57.4Low182 Ų182130.4 Ų130.484%0.84379%0.794SS**PPolyproline II helixtrans-60134.2162.9-80.9-80.1000109.8P198P198-H200 PolarHBondContact O-N 3.5Å
201A66.8Low58.3Low88 Ų88131.5 Ų131.573%0.72779%0.792SS**PPolyproline II helixtrans-60.1141.7169.100000109.9
202P66.6Low59Low116 Ų116129.5 Ų129.575%0.75379%0.789SS**PPolyproline II helixtrans-62.4139.717526.2-32.5000109.8
203P73.6Confident59.3Low114 Ų114130.8 Ų130.874%0.7479%0.788SS**PPolyproline II helixtrans-60.6150.7173.526.3-33.5000110.3
204P74.9Confident59.5Low117 Ų117131.8 Ų131.876%0.7679%0.786SS**PPolyproline II helixtrans-58.314817625.6-34000110.8
205P69.6Low59.1Low116 Ų116129.7 Ų129.775%0.75379%0.785SS**PPolyproline II helixtrans-60.2143.9176.825.8-33.6000110.7
206P74.3Confident59.3Low116 Ų116132.6 Ų132.675%0.75379%0.789SS**PPolyproline II helixtrans-61.8149.4176.826.7-34.1000110.9
207P74.5Confident58.9Low118 Ų118132.1 Ų132.177%0.76679%0.785SS**PPolyproline II helixtrans-61.4145176.826.1-33.6000110.9
208P69.1Low58.7Low116 Ų116131.6 Ų131.675%0.75379%0.786SS**PPolyproline II helixtrans-63.3145.3177.326.2-33.3000111.2
209P72.3Confident58.3Low113 Ų113135.6 Ų135.673%0.73479%0.792SS**PPolyproline II helixtrans-63.1145.6176.826.7-33.8000110.9L211P209-L211 PolarHBondContact O-N 3.15Å
210P68.9Low58Low129 Ų129129.8 Ų129.884%0.83879%0.787SS**PPolyproline II helixtrans-63.3130.1177.524.9-31.8000110.7
211L64.3Low57.6Low154 Ų154129.3 Ų129.381%0.80679%0.785SS**PPolyproline II helixtrans-62.8139.8170.2-70.7163.2000109.4P209 L213P209-L211 PolarHBondContact O-N 3.15Å; L211-L213 PolarHBondContact O-N 3.24Å
212P60.1Low57.1Low121 Ų121135.1 Ų135.179%0.78680%0.795SS**PPolyproline II helixtrans-62.9126.6177.923.7-30.5000110.4
213L50.4Low56.5Low154 Ų154133.1 Ų133.181%0.80678%0.783SS**PPolyproline II helixtrans-61.4142.6173-81.490.8000110.2L211 C215L211-L213 PolarHBondContact O-N 3.24Å; L213-C215 PolarHBondContact O-N 3.15Å; L213-C215 VanDerWaalsContact O-N 3.14Å
214P43.7Very low56.4Low119 Ų119130.5 Ų130.577%0.77377%0.768SS**  trans-70.1111.5174.5-8.824.2000109.3Q216P214-Q216 PolarHBondContact O-N 2.93Å
215C34.9Very low56.3Low129 Ų129130.3 Ų130.387%0.87276%0.764SS**  trans-62.7106.9165.7-71.20000108.7L213 S217L213-C215 PolarHBondContact O-N 3.15Å; L213-C215 VanDerWaalsContact O-N 3.14Å; C215-S217 PolarHBondContact O-N 3.12Å
216Q42.6Very low56.5Low193 Ų193130.8 Ų130.890%0.90276%0.758SS**  trans-72.7100.2165.8-62.6-177.612.600108.1P214P214-Q216 PolarHBondContact O-N 2.93Å
217S32.3Very low56.6Low109 Ų109128.8 Ų128.876%0.76274%0.741SS**  trans-105.2104.815070.40000107.3C215 F219C215-S217 PolarHBondContact O-N 3.12Å; S217-F219 PolarHBondContact O-N 3.21Å
218S44.8Very low57Low100 Ų100127.1 Ų127.170%0.69973%0.725SS**  trans-43.8114.7167.149.80000111.7
219F39.9Very low57.5Low206 Ų206125.7 Ų125.790%0.90471%0.71SS**  -154.4120.8126-88.1-70.7000108.2S217 E221S217-F219 PolarHBondContact O-N 3.21Å; F219-E221 PolarHBondContact O-N 3.03Å
220S42.1Very low57.9Low115 Ų115126.3 Ų126.380%0.80470%0.701SS**  trans-63.3116.9169.9167.60000109.3
221E44.4Very low58.4Low172 Ų172125.8 Ų125.880%0.80469%0.688SS**  -179.1140.9120.7-100.6176.9174.800109.5F219 S223F219-E221 PolarHBondContact O-N 3.03Å; E221-S223 PolarHBondContact O-N 3.18Å
222K55.4Low59Low211 Ų211127.9 Ų127.992%0.91769%0.685SS**  trans-75.171.8-176.2-50.3169.9-170.3175.30108.6S224K222-S224 PolarHBondContact O-N 3.14Å; K222-S224 VanDerWaalsContact O-N 3.16Å
223S54.8Low59.6Low73 Ų73130.6 Ų130.651%0.5168%0.679SS.*  trans-75106.9171.256.30000108.2E221 L228E221-S223 PolarHBondContact O-N 3.18Å; S223-L228 WeakPolarHBondContact OG-CD1 3.42Å
224S71.6Confident60.4Low60 Ų60128.3 Ų128.342%0.4267%0.668SS.*  trans-58.8145.7170.6176.30000108.2K222 M226 D227 L228K222-S224 PolarHBondContact O-N 3.14Å; K222-S224 VanDerWaalsContact O-N 3.16Å; S224-M226 PolarHBondContact O-N 2.97Å; S224-D227 PolarHBondContact N-OD2 2.93Å; S224-D227 WeakPolarHBondContact O-CA 3.29Å; S224-D227 WeakPolarHBondContact O-CB 3.28Å; S224-D227 PolarHBondContact O-N 3.32Å; S224-L228 PolarHBondContact O-N 2.93Å
225V72.1Confident61.4Low112 Ų112127.2 Ų127.268%0.67966%0.655SS**Hα-helixtrans-49.8-30.4175.2175.80000111.3I229V225-I229 HydrophobicContact CG1-CD1 3.99Å; V225-I229 WeakPolarHBondContact O-CD1 3.34Å; V225-I229 WeakPolarHBondContact O-CG1 3.35Å; V225-I229 PolarHBondContact O-N 3.47Å; V225-I229 VanDerWaalsContact O-N 3.14Å
226M73.9Confident62.5Low127 Ų127126.9 Ų126.963%0.62665%0.645SS**Hα-helixtrans-65.2-34.9173.5-76.1-154-81.100114.3S224 I229 K230S224-M226 PolarHBondContact O-N 2.97Å; M226-I229 PolarHBondContact O-N 3.36Å; M226-K230 WeakPolarHBondContact O-CG 3.38Å; M226-K230 PolarHBondContact O-N 2.92Å
227D75.9Confident63.2Low74 Ų74123.2 Ų123.240%0.39663%0.632SS.*Hα-helixtrans-74.7-38.3179.1-59.5-38000110.7S224 I229 K230 E231S224-D227 PolarHBondContact N-OD2 2.93Å; S224-D227 WeakPolarHBondContact O-CA 3.29Å; S224-D227 WeakPolarHBondContact O-CB 3.28Å; S224-D227 PolarHBondContact O-N 3.32Å; D227-I229 VanDerWaalsContact C-N 3.28Å; D227-I229 PolarHBondContact O-N 3.12Å; D227-K230 PolarHBondContact O-N 3.04Å; D227-E231 WeakPolarHBondContact O-CB 3.26Å; D227-E231 PolarHBondContact O-N 2.88Å
228L84.3Confident64.3Low83 Ų83121.6 Ų121.644%0.43562%0.621SS.*Hα-helixtrans-60.4-37.7171.3-119.280.4000112.3S223 S224 R232S223-L228 WeakPolarHBondContact OG-CD1 3.42Å; S224-L228 PolarHBondContact O-N 2.93Å; L228-R232 VanDerWaalsContact O-CB 3.24Å; L228-R232 WeakPolarHBondContact O-CB 3.49Å; L228-R232 PolarHBondContact O-N 3.12Å
229I78.3Confident64.4Low86 Ų86123 Ų12344%0.44162%0.62SS.*Hα-helixtrans-69.5-40177-68.5164.6000110.8V225 M226 D227 R233V225-I229 HydrophobicContact CG1-CD1 3.99Å; V225-I229 WeakPolarHBondContact O-CD1 3.34Å; V225-I229 WeakPolarHBondContact O-CG1 3.35Å; V225-I229 PolarHBondContact O-N 3.47Å; V225-I229 VanDerWaalsContact O-N 3.14Å; M226-I229 PolarHBondContact O-N 3.36Å; D227-I229 VanDerWaalsContact C-N 3.28Å; D227-I229 PolarHBondContact O-N 3.12Å; I229-R233 WeakPolarHBondContact O-CB 3.24Å; I229-R233 PolarHBondContact O-N 3.32Å
230K81.8Confident64.8Low126 Ų126122.3 Ų122.355%0.54862%0.617SS.*Hα-helixtrans-67.8-43.5176.1-74.6173.6-176.1172.70111.7M226 D227 R233 N234M226-K230 WeakPolarHBondContact O-CG 3.38Å; M226-K230 PolarHBondContact O-N 2.92Å; D227-K230 PolarHBondContact O-N 3.04Å; K230-R233 WeakPolarHBondContact O-CB 3.42Å; K230-R233 PolarHBondContact O-N 3.14Å; K230-N234 PolarHBondContact O-N 3.09Å
231E78.9Confident64.9Low118 Ų118120 Ų12055%0.55161%0.611SS**Hα-helixtrans-62-46176.6-172.5-176.9177.300111.2D227 R233 N234 N235D227-E231 WeakPolarHBondContact O-CB 3.26Å; D227-E231 PolarHBondContact O-N 2.88Å; E231-R233 VanDerWaalsContact C-N 3.28Å; E231-R233 PolarHBondContact O-N 3.28Å; E231-N234 PolarHBondContact O-N 3.45Å; E231-N234 VanDerWaalsContact O-N 3.16Å; E231-N235 PolarHBondContact O-N 2.74Å
232R76.2Confident64.8Low198 Ų198120 Ų12075%0.74761%0.611SS**Hα-helixtrans-64.4-31.7176.4-164.5-178.4-80.6176.9-4.8112.2L228 N236L228-R232 VanDerWaalsContact O-CB 3.24Å; L228-R232 WeakPolarHBondContact O-CB 3.49Å; L228-R232 PolarHBondContact O-N 3.12Å; R232-N236 PolarHBondContact O-N 2.93Å
233R72.3Confident64.1Low178 Ų178117.8 Ų117.867%0.67261%0.608SS**Hα-helixtrans-70.4-41171.4-88.7-177.7175.7148.5-0.8112.7I229 K230 E231 N236 N237I229-R233 WeakPolarHBondContact O-CB 3.24Å; I229-R233 PolarHBondContact O-N 3.32Å; K230-R233 WeakPolarHBondContact O-CB 3.42Å; K230-R233 PolarHBondContact O-N 3.14Å; E231-R233 VanDerWaalsContact C-N 3.28Å; E231-R233 PolarHBondContact O-N 3.28Å; R233-N236 PolarHBondContact O-N 3.42Å; R233-N237 PolarHBondContact O-N 3.37Å
234N68Low63.2Low106 Ų106122.8 Ų122.857%0.56762%0.624SS**Hα-helixtrans-69.6-41179.2-84.54.4000112.4K230 E231 N236 N237 S238K230-N234 PolarHBondContact O-N 3.09Å; E231-N234 PolarHBondContact O-N 3.45Å; E231-N234 VanDerWaalsContact O-N 3.16Å; N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 2.99Å; N234-N237 PolarHBondContact O-N 3.4Å; N234-S238 PolarHBondContact O-N 3.09Å; N234-S238 PolarHBondContact O-OG 2.93Å
235N65.6Low61.7Low95 Ų95124.7 Ų124.751%0.50864%0.643SS.*Hα-helixtrans-63.3-31.6174.9-97.4-3.9000112.9E231 N237 S238 N239E231-N235 PolarHBondContact O-N 2.74Å; N235-N237 VanDerWaalsContact C-N 3.26Å; N235-N237 PolarHBondContact O-N 2.91Å; N235-S238 PolarHBondContact O-N 2.95Å; N235-N239 PolarHBondContact O-N 3.24Å
236N57.8Low60.2Low123 Ų123127 Ų12766%0.65865%0.646SS**Hα-helixtrans-71.6-21.9175.7-135.819.7000112.9R232 R233 N234R232-N236 PolarHBondContact O-N 2.93Å; R233-N236 PolarHBondContact O-N 3.42Å; N234-N236 VanDerWaalsContact C-N 3.26Å; N234-N236 PolarHBondContact O-N 2.99Å
237N55.8Low58.2Low115 Ų115129.1 Ų129.162%0.61565%0.654SS**Hα-helixtrans-86.1-36.7173.5-75.7-16.5000112.2R233 N234 N235 N239 K240R233-N237 PolarHBondContact O-N 3.37Å; N234-N237 PolarHBondContact O-N 3.4Å; N235-N237 VanDerWaalsContact C-N 3.26Å; N235-N237 PolarHBondContact O-N 2.91Å; N237-N239 VanDerWaalsContact C-N 3.34Å; N237-N239 PolarHBondContact O-N 2.89Å; N237-K240 PolarHBondContact O-N 2.95Å
238S56.2Low56.6Low76 Ų76131.4 Ų131.453%0.53168%0.676SS.*Hα-helixtrans-65.7-34.6177.3-62.40000112.9N234 N235 K240 G241N234-S238 PolarHBondContact O-N 3.09Å; N234-S238 PolarHBondContact O-OG 2.93Å; N235-S238 PolarHBondContact O-N 2.95Å; S238-K240 PolarHBondContact O-N 2.87Å; S238-G241 PolarHBondContact O-N 3.41Å
239N46.9Very low54.1Low129 Ų129131 Ų13169%0.6969%0.692SS**THydrogen-bonded Turntrans-71.6-8.8177.3-71.7-14.1000114.2N235 N237N235-N239 PolarHBondContact O-N 3.24Å; N237-N239 VanDerWaalsContact C-N 3.34Å; N237-N239 PolarHBondContact O-N 2.89Å
240K48.2Very low52.5Low191 Ų191135.5 Ų135.583%0.8372%0.716SS**THydrogen-bonded Turntrans-91.6-5.7169.8-95.6-174.8173.7-176.90113.5N237 S238N237-K240 PolarHBondContact O-N 2.95Å; S238-K240 PolarHBondContact O-N 2.87Å
241G44.1Very low50.3Low66 Ų66134.9 Ų134.968%0.6873%0.728SS**SBendtrans-100.7-2.8-174.200000116.2S238S238-G241 PolarHBondContact O-N 3.41Å
242Q43.5Very low48.7Very low174 Ų174138.4 Ų138.481%0.81374%0.741SS**SBendtrans-108.324.1-168.6-148.1177.232.600115.6
243L40.8Very low47Very low164 Ų164134.4 Ų134.486%0.85974%0.735SS**SBendtrans-134.2110.4164.3-69.6173.3000109.7
244Q34.8Very low46Very low178 Ų178133.1 Ų133.183%0.83274%0.738SS**  trans7076.8168.9-69.21786.800117.8
245A39.5Very low45.1Very low99 Ų99135.9 Ų135.982%0.81875%0.748SS**  -71.9107.9128.900000106.9
246Q42.1Very low44.4Very low160 Ų160137 Ų13775%0.74875%0.753SS**  trans-179.2142.6148.6-75.6-113.213.800106.2
247H31.9Very low44.1Very low172 Ų172138.9 Ų138.980%0.79676%0.756SS**  trans89.274.5-172.1-49.8-74.9000115.7
248S41.3Very low44.3Very low122 Ų122141.5 Ų141.585%0.85377%0.769SS**  trans-16.5136.5141.8530000117.3
249G31.9Very low44.8Very low76 Ų76144.4 Ų144.478%0.78478%0.777SS**  trans154.8105.6155.200000114.1
250L45.4Very low46.1Very low180 Ų180142.7 Ų142.794%0.94277%0.773SS**  trans-22.6136.4167.3-69.2135.7000116.5
251S35.3Very low48Very low113 Ų113136.4 Ų136.479%0.7975%0.753SS**  163.7149.8117.5-172.70000112.6N253S251-N253 PolarHBondContact O-N 3.42Å
252K46.3Very low50.1Low191 Ų191139.5 Ų139.583%0.8375%0.752SS**  trans-44.1122175.9-61.8166.5177.1175.80113
253N40.3Very low52.3Low115 Ų115136.7 Ų136.762%0.61574%0.742SS**  trans-179.1100.2139.4-113.4-55.3000110.7S251 E255S251-N253 PolarHBondContact O-N 3.42Å; N253-E255 VanDerWaalsContact C-N 3.26Å
254M50.3Low54.4Low150 Ų150131.7 Ų131.774%0.73972%0.715SS**SBendtrans-84.97169.6-88-1628900113.4
255E48.4Very low57Low165 Ų165126.3 Ų126.377%0.77170%0.695SS**SBendtrans-99.5-4.9-170.2-57.6-86.613000114.4N253N253-E255 VanDerWaalsContact C-N 3.26Å
256N50.8Low59.3Low117 Ų117126 Ų12663%0.62668%0.679SS**  trans-112.313.2-176.5-68.7-15.3000114.7L258 I259N256-L258 PolarHBondContact O-N 3.36Å; N256-L258 VanDerWaalsContact O-N 3.08Å; N256-I259 PolarHBondContact O-N 2.91Å
257K52.4Low61.4Low164 Ų164126.3 Ų126.371%0.71367%0.673SS**THydrogen-bonded Turntrans-71.8-1-173.5-67.3-167.3-179.4-167.90115.6
258L60.4Low63.9Low169 Ų169122 Ų12289%0.88566%0.656SS**THydrogen-bonded Turntrans-89.3-18.5179.1-149.376000113.2N256N256-L258 PolarHBondContact O-N 3.36Å; N256-L258 VanDerWaalsContact O-N 3.08Å
259I65.7Low66.1Low138 Ų138121 Ų12171%0.70864%0.641SS**SBendtrans-129.2118.4-177.3-53.9174.6000108.3N256N256-I259 PolarHBondContact O-N 2.91Å
260P75.8Confident68.4Low93 Ų93124.5 Ų124.560%0.60464%0.641SS**  trans-59.1140.9175.124.9-31.8000110.1V265P260-V265 HydrophobicContact CB-CG2 4.38Å; P260-V265 HydrophobicContact CG-CG2 4.28Å
261S87.1Confident70.3Confident59 Ų59122.7 Ų122.741%0.41363%0.628SS.*  trans-60.6139.7179.1178.80000110.3L263 D264 V265S261-L263 PolarHBondContact O-N 3.25Å; S261-L263 VanDerWaalsContact O-N 3.15Å; S261-D264 WeakPolarHBondContact CB-OD2 3.34Å; S261-D264 WeakPolarHBondContact O-CA 3.49Å; S261-D264 WeakPolarHBondContact O-CB 3.43Å; S261-D264 PolarHBondContact O-N 3.47Å; S261-V265 PolarHBondContact O-N 3.17Å; S261-V265 VanDerWaalsContact O-N 3.08Å
262M88.4Confident72.5Confident131 Ų131122 Ų12265%0.64562%0.619SS**Hα-helixtrans-59.3-28.9180-173.3-101.4-6900112.2V265 L266M262-V265 PolarHBondContact O-N 2.9Å; M262-L266 WeakPolarHBondContact O-CB 3.12Å; M262-L266 VanDerWaalsContact O-CG 3.28Å; M262-L266 WeakPolarHBondContact O-CG 3.37Å; M262-L266 PolarHBondContact O-N 3.25Å; M262-L266 HydrophobicContact SD-CD1 3.44Å; M262-L266 WeakPolarHBondContact SD-CD1 3.4Å; M262-L266 HydrophobicContact SD-CG 3.94Å
263L88.6Confident74.4Confident115 Ų115122.1 Ų122.160%0.60262%0.619SS**Hα-helixtrans-66.7-34.7172.3-65.8174.6000112.9S261 R267S261-L263 PolarHBondContact O-N 3.25Å; S261-L263 VanDerWaalsContact O-N 3.15Å; L263-R267 VanDerWaalsContact O-CG 3.28Å; L263-R267 WeakPolarHBondContact O-CG 3.34Å; L263-R267 PolarHBondContact O-N 3.41Å; L263-R267 VanDerWaalsContact O-N 3.13Å
264D85.9Confident76.3Confident58 Ų58124.2 Ų124.231%0.3163%0.63SS.*Hα-helixtrans-70-44.1175.9-57.5-20.6000109.7S261 L266 R267 D268S261-D264 WeakPolarHBondContact CB-OD2 3.34Å; S261-D264 WeakPolarHBondContact O-CA 3.49Å; S261-D264 WeakPolarHBondContact O-CB 3.43Å; S261-D264 PolarHBondContact O-N 3.47Å; D264-L266 PolarHBondContact O-N 2.89Å; D264-R267 PolarHBondContact O-N 2.92Å; D264-R267 IonicContact OD1-CZ 2.63Å; D264-R267 IonicContact OD1-NE 3.82Å; D264-R267 IonicContact OD1-NH2 3.86Å; D264-R267 PolarHBondContact OD1-NH2 2.89Å; D264-D268 PolarHBondContact O-N 3.19Å
265V88.5Confident77.8Confident65 Ų65128 Ų12839%0.39464%0.636SS.*Hα-helixtrans-57.3-49.1174.8179.10000110.7P260 S261 M262 R267 D268 L269P260-V265 HydrophobicContact CB-CG2 4.38Å; P260-V265 HydrophobicContact CG-CG2 4.28Å; S261-V265 PolarHBondContact O-N 3.17Å; S261-V265 VanDerWaalsContact O-N 3.08Å; M262-V265 PolarHBondContact O-N 2.9Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 2.92Å; V265-D268 PolarHBondContact O-N 3.29Å; V265-D268 VanDerWaalsContact O-N 3.15Å; V265-L269 WeakPolarHBondContact O-CG 3.42Å; V265-L269 PolarHBondContact O-N 3.5Å
266L88Confident79.3Confident93 Ų93126.2 Ų126.249%0.48764%0.642SS.*Hα-helixtrans-62-33.7179.1-71.9178.8000113.1M262 D264 L269M262-L266 WeakPolarHBondContact O-CB 3.12Å; M262-L266 VanDerWaalsContact O-CG 3.28Å; M262-L266 WeakPolarHBondContact O-CG 3.37Å; M262-L266 PolarHBondContact O-N 3.25Å; M262-L266 HydrophobicContact SD-CD1 3.44Å; M262-L266 WeakPolarHBondContact SD-CD1 3.4Å; M262-L266 HydrophobicContact SD-CG 3.94Å; D264-L266 PolarHBondContact O-N 2.89Å; L266-L269 HydrophobicContact CD2-CD1 3.81Å
267R87.8Confident80.6Confident166 Ų166124.7 Ų124.763%0.62664%0.636SS**Hα-helixtrans-69.9-36.4174.6-74.6-173.4-70.6178.7-0.2112.5L263 D264 V265L263-R267 VanDerWaalsContact O-CG 3.28Å; L263-R267 WeakPolarHBondContact O-CG 3.34Å; L263-R267 PolarHBondContact O-N 3.41Å; L263-R267 VanDerWaalsContact O-N 3.13Å; D264-R267 PolarHBondContact O-N 2.92Å; D264-R267 IonicContact OD1-CZ 2.63Å; D264-R267 IonicContact OD1-NE 3.82Å; D264-R267 IonicContact OD1-NH2 3.86Å; D264-R267 PolarHBondContact OD1-NH2 2.89Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 2.92Å
268D84.3Confident81.8Confident81 Ų81123 Ų12343%0.43363%0.631SS.*Hα-helixtrans-81.5-18-177.3-67.7-15.6000113.2D264 V265 N270 Q271 V272D264-D268 PolarHBondContact O-N 3.19Å; V265-D268 PolarHBondContact O-N 3.29Å; V265-D268 VanDerWaalsContact O-N 3.15Å; D268-N270 PolarHBondContact O-N 2.63Å; D268-Q271 WeakPolarHBondContact O-CB 3.28Å; D268-Q271 PolarHBondContact O-N 3.32Å; D268-Q271 PolarHBondContact OD1-NE2 3.24Å; D268-V272 PolarHBondContact O-N 3.07Å
269L87.1Confident82.7Confident102 Ų102122.9 Ų122.953%0.53462%0.619SS.*THydrogen-bonded Turntrans-55-36177-75.8177.9000113.1V265 L266 Q271 V272V265-L269 WeakPolarHBondContact O-CG 3.42Å; V265-L269 PolarHBondContact O-N 3.5Å; L266-L269 HydrophobicContact CD2-CD1 3.81Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 3.47Å; L269-V272 PolarHBondContact O-N 3.39Å
270N80.3Confident83.2Confident149 Ų149118.6 Ų118.680%0.79760%0.601SS**THydrogen-bonded Turntrans-74.4-16.2178.1-76-17.2000113.7D268D268-N270 PolarHBondContact O-N 2.63Å
271Q85.3Confident83.2Confident143 Ų143121.4 Ų121.467%0.66862%0.619SS**THydrogen-bonded Turntrans-89.8-21.8178.1-59178.460.100111.8D268 L269 K273D268-Q271 WeakPolarHBondContact O-CB 3.28Å; D268-Q271 PolarHBondContact O-N 3.32Å; D268-Q271 PolarHBondContact OD1-NE2 3.24Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 3.47Å; Q271-K273 PolarHBondContact O-N 3.44Å; Q271-K273 VanDerWaalsContact O-N 3.11Å
272V81.9Confident82.7Confident99 Ų99121.6 Ų121.660%0.663%0.631SS**  trans-76.499.8179.5-178.20000110.3D268 L269D268-V272 PolarHBondContact O-N 3.07Å; L269-V272 PolarHBondContact O-N 3.39Å
273K85.4Confident82.1Confident193 Ų193116.8 Ų116.884%0.83962%0.615SS**PPolyproline II helixtrans-96120.5169.3-67.7-177.6179.7177.40110.4Q271Q271-K273 PolarHBondContact O-N 3.44Å; Q271-K273 VanDerWaalsContact O-N 3.11Å
274L80.9Confident81.6Confident159 Ų159115.6 Ų115.683%0.83261%0.612SS**PPolyproline II helixtrans-72.8142.7171.7-61.4-180000110.2
275R81.6Confident80.8Confident230 Ų230116.3 Ų116.387%0.86862%0.62SS**PPolyproline II helixtrans-65.8136.7170.8-70.3-175.6-79.6-178.6-5.8109.4V277R275-V277 PolarHBondContact O-N 3.32Å
276S78.4Confident79.7Confident127 Ų127116.4 Ų116.489%0.88862%0.621SS**PPolyproline II helixtrans-66116.5173.350.60000109.4
277V78.1Confident78.5Confident85 Ų85122 Ų12252%0.51564%0.635SS.*PPolyproline II helixtrans-102126.5175.6179.70000107.6R275 R279 P285R275-V277 PolarHBondContact O-N 3.32Å; V277-R279 PolarHBondContact O-N 3.08Å; V277-R279 VanDerWaalsContact O-N 3.13Å; V277-P285 HydrophobicContact CG1-CB 3.59Å
278Q78.8Confident77.1Confident129 Ų129124 Ų12460%0.60364%0.643SS**PPolyproline II helixtrans-58.6119.2174.5-166.5172.225.300108.7V286Q278-V286 WeakPolarHBondContact O-CB 3.38Å; Q278-V286 WeakPolarHBondContact O-CG2 3.38Å; Q278-V286 PolarHBondContact O-N 3.17Å
279R78.9Confident75.6Confident166 Ų166131 Ų13163%0.62666%0.663SS**BIsolated β-bridgetrans-107.4143.9179.8-75.9177.3159.1-151.8-9.1109.2V277 G283 T284V277-R279 PolarHBondContact O-N 3.08Å; V277-R279 VanDerWaalsContact O-N 3.13Å; R279-G283 WeakPolarHBondContact CD-O 3.29Å; R279-G283 PolarHBondContact NE-O 3.29Å; R279-G283 VanDerWaalsContact NE-O 3.15Å; R279-G283 PolarHBondContact NH1-O 2.83Å; R279-T284 WeakPolarHBondContact CA-O 3.49Å
280S75.5Confident74Confident48 Ų48131.2 Ų131.234%0.33667%0.673SS.*  trans-70.2166.9166.359.40000109.4G282 G283 T284S280-G282 PolarHBondContact O-N 2.88Å; S280-G283 PolarHBondContact O-N 3.15Å; S280-T284 PolarHBondContact N-O 3.15Å
281P77Confident72.8Confident151 Ų151128.6 Ų128.698%0.98167%0.666SS**THydrogen-bonded Turntrans-53-18.5177.4-28.436.3000115.1
282G75.6Confident71.2Confident64 Ų64131.4 Ų131.466%0.6668%0.676SS**THydrogen-bonded Turntrans-94.315174.800000115.6S280 T284S280-G282 PolarHBondContact O-N 2.88Å; G282-T284 PolarHBondContact O-N 2.84Å; G282-T284 VanDerWaalsContact O-N 3.12Å
283G77.3Confident69.6Low30 Ų30129.3 Ų129.331%0.30967%0.666SS.*SBendtrans74.60.9173.400000115.7R279 S280R279-G283 WeakPolarHBondContact CD-O 3.29Å; R279-G283 PolarHBondContact NE-O 3.29Å; R279-G283 VanDerWaalsContact NE-O 3.15Å; R279-G283 PolarHBondContact NH1-O 2.83Å; S280-G283 PolarHBondContact O-N 3.15Å
284T76.9Confident68.1Low89 Ų89124.2 Ų124.255%0.54665%0.648SS.*  trans-78.5131.4177.6-30.40000110R279 S280 G282 V286R279-T284 WeakPolarHBondContact CA-O 3.49Å; S280-T284 PolarHBondContact N-O 3.15Å; G282-T284 PolarHBondContact O-N 2.84Å; G282-T284 VanDerWaalsContact O-N 3.12Å; T284-V286 PolarHBondContact O-N 3.25Å
285P69.3Low67Low74 Ų74122.4 Ų122.448%0.48164%0.643SS.*BIsolated β-bridgetrans-60.9123.717522.3-30.6000110.1V277 R287V277-P285 HydrophobicContact CG1-CB 3.59Å; P285-R287 PolarHBondContact O-N 2.98Å
286V65Low65.8Low67 Ų67115 Ų11541%0.40663%0.631SS.*  trans-69.7103.9-178.1177.70000108.9Q278 T284 R288Q278-V286 WeakPolarHBondContact O-CB 3.38Å; Q278-V286 WeakPolarHBondContact O-CG2 3.38Å; Q278-V286 PolarHBondContact O-N 3.17Å; T284-V286 PolarHBondContact O-N 3.25Å; V286-R288 PolarHBondContact O-N 2.98Å; V286-R288 VanDerWaalsContact O-N 3.13Å
287R63.3Low64.9Low210 Ų210112.7 Ų112.779%0.79261%0.609SS**  trans-73.2103.7173.5-171.7179.2-178.4-169.82.3108.7P285 R289P285-R287 PolarHBondContact O-N 2.98Å; R287-R289 PolarHBondContact O-N 2.9Å
288R58.5Low64.1Low207 Ų207113.6 Ų113.678%0.78161%0.61SS**  trans-62.3109.2169.8-66.5-154.1-179.6-169.72.3108.6V286 S290V286-R288 PolarHBondContact O-N 2.98Å; V286-R288 VanDerWaalsContact O-N 3.13Å; R288-S290 PolarHBondContact O-N 3.19Å
289R53.5Low64Low229 Ų229114.6 Ų114.686%0.86462%0.619SS**  trans-65.5101.4164.8-75.4-168.6-82-176.8-4.6106.3R287 S291R287-R289 PolarHBondContact O-N 2.9Å; R289-S291 PolarHBondContact O-N 2.79Å
290S53.2Low64.5Low107 Ų107109.8 Ų109.875%0.74861%0.606SS**  trans-69.284.2168.2170.20000108R288 K292R288-S290 PolarHBondContact O-N 3.19Å; S290-K292 VanDerWaalsContact C-N 3.28Å
291S54.3Low65.1Low93 Ų93112 Ų11265%0.6562%0.619SS**  trans-93.721174.261.90000112.2R289R289-S291 PolarHBondContact O-N 2.79Å
292K52.1Low65.8Low202 Ų202107.7 Ų107.788%0.87860%0.596SS**SBendtrans-117.220.4-168.2-125164.5-175.5173.30114.4S290S290-K292 VanDerWaalsContact C-N 3.28Å
293C47.2Very low66.4Low56 Ų56105.5 Ų105.538%0.37857%0.572SS.*  trans-145.640.5177.1-154.90000111.5L297C293-L297 HydrophobicContact CB-CD1 4.34Å; C293-L297 WeakPolarHBondContact O-CD1 3.33Å; C293-L297 VanDerWaalsContact O-CG 3.27Å; C293-L297 WeakPolarHBondContact O-CG 3.27Å
294D55.7Low67Low85 Ų85108.9 Ų108.946%0.45558%0.583SS.*SBendtrans-83.9-26.2177.9-82.5-48.7000112.4L298 R307D294-L298 WeakPolarHBondContact O-CD1 3.4Å; D294-L298 VanDerWaalsContact O-CG 3.28Å; D294-L298 WeakPolarHBondContact O-CG 3.33Å; D294-R307 IonicContact OD1-NH1 3.66Å
295T57.5Low67.7Low121 Ų121109.3 Ų109.374%0.74258%0.581SS**SBendtrans-83.7-33.7-174.9-39.10000113.6
296A56.7Low68.8Low74 Ų74108.5 Ų108.561%0.61258%0.58SS**SBendtrans-84-19.1-179.100000113.7
297L58.2Low69.8Low80 Ų80112 Ų11242%0.41959%0.586SS.*SBendtrans-92.4-8.1-178.6-66.6-173.4000114C293 N299 A303C293-L297 HydrophobicContact CB-CD1 4.34Å; C293-L297 WeakPolarHBondContact O-CD1 3.33Å; C293-L297 VanDerWaalsContact O-CG 3.27Å; C293-L297 WeakPolarHBondContact O-CG 3.27Å; L297-N299 PolarHBondContact O-N 2.9Å; L297-A303 HydrophobicContact CB-CB 3.81Å; L297-A303 HydrophobicContact CD1-CB 4.39Å; L297-A303 HydrophobicContact CD2-CB 3.87Å; L297-A303 HydrophobicContact CG-CB 4.22Å
298L61.8Low71.1Confident104 Ų104104.5 Ų104.555%0.54557%0.569SS.*THydrogen-bonded Turntrans-70.9-19.8175.7-77163.7000112.9D294D294-L298 WeakPolarHBondContact O-CD1 3.4Å; D294-L298 VanDerWaalsContact O-CG 3.28Å; D294-L298 WeakPolarHBondContact O-CG 3.33Å
299N76.3Confident72.6Confident149 Ų14998.8 Ų98.880%0.79755%0.553SS**THydrogen-bonded Turntrans-98.6-3.6-179.4-62.2-36.6000113.4L297L297-N299 PolarHBondContact O-N 2.9Å
300D88.9Confident74.3Confident65 Ų6594.9 Ų94.935%0.34854%0.542SS..  trans-99.1116.9175.6172.423.7000110.3A302 A303 L304D300-A302 PolarHBondContact O-N 3.05Å; D300-A302 WeakPolarHBondContact OD1-CB 3.37Å; D300-A302 PolarHBondContact OD1-N 3Å; D300-A303 HydrophobicContact CB-CB 3.9Å; D300-A303 PolarHBondContact O-N 3.15Å; D300-A303 WeakPolarHBondContact OD2-CB 3.46Å; D300-A303 PolarHBondContact OD2-N 3.17Å; D300-A303 VanDerWaalsContact OD2-N 3.07Å; D300-L304 PolarHBondContact O-N 3.35Å
301P89.5Confident75.8Confident95 Ų9593.8 Ų93.862%0.61753%0.531SS*.Hα-helixtrans-59.5-32.717824.8-34.3000112.5L304 I305P301-L304 PolarHBondContact O-N 2.92Å; P301-I305 VanDerWaalsContact O-CG1 3.28Å; P301-I305 WeakPolarHBondContact O-CG1 3.44Å; P301-I305 PolarHBondContact O-N 3.04Å; P301-I305 VanDerWaalsContact O-N 3.08Å
302A92.1Very high77.4Confident60 Ų6095.9 Ų95.950%0.49653%0.529SS..Hα-helixtrans-69.8-41.917900000111.6D300 L304 I305 A306D300-A302 PolarHBondContact O-N 3.05Å; D300-A302 WeakPolarHBondContact OD1-CB 3.37Å; D300-A302 PolarHBondContact OD1-N 3Å; A302-L304 VanDerWaalsContact C-N 3.35Å; A302-I305 PolarHBondContact O-N 3.42Å; A302-A306 VanDerWaalsContact O-CB 3.29Å; A302-A306 WeakPolarHBondContact O-CB 3.33Å; A302-A306 PolarHBondContact O-N 3.42Å
303A88.3Confident79Confident18 Ų1890.5 Ų90.515%0.14951%0.505CS..Hα-helixtrans-65.1-36.6175.100000112.9L297 D300 A306 R307L297-A303 HydrophobicContact CB-CB 3.81Å; L297-A303 HydrophobicContact CD1-CB 4.39Å; L297-A303 HydrophobicContact CD2-CB 3.87Å; L297-A303 HydrophobicContact CG-CB 4.22Å; D300-A303 HydrophobicContact CB-CB 3.9Å; D300-A303 PolarHBondContact O-N 3.15Å; D300-A303 WeakPolarHBondContact OD2-CB 3.46Å; D300-A303 PolarHBondContact OD2-N 3.17Å; D300-A303 VanDerWaalsContact OD2-N 3.07Å; A303-A306 PolarHBondContact O-N 3.28Å; A303-R307 WeakPolarHBondContact O-CB 3.27Å; A303-R307 PolarHBondContact O-N 3.29Å
304L89.9Confident80.5Confident102 Ų10290.5 Ų90.553%0.53451%0.509SS..Hα-helixtrans-63.5-47.7175.2-167153.5000111.1D300 P301 A302 R307 A308D300-L304 PolarHBondContact O-N 3.35Å; P301-L304 PolarHBondContact O-N 2.92Å; A302-L304 VanDerWaalsContact C-N 3.35Å; L304-R307 PolarHBondContact O-N 3.41Å; L304-A308 WeakPolarHBondContact O-CB 3.28Å; L304-A308 PolarHBondContact O-N 3.4Å
305I91.2Very high80.9Confident98 Ų9893.5 Ų93.550%0.50352%0.521SS..Hα-helixtrans-62-45.9175.4-66.4166.1000110.3P301 A302 R307 A308 L309P301-I305 VanDerWaalsContact O-CG1 3.28Å; P301-I305 WeakPolarHBondContact O-CG1 3.44Å; P301-I305 PolarHBondContact O-N 3.04Å; P301-I305 VanDerWaalsContact O-N 3.08Å; A302-I305 PolarHBondContact O-N 3.42Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.03Å; I305-A308 PolarHBondContact O-N 2.89Å; I305-L309 HydrophobicContact CG2-CD1 3.71Å; I305-L309 HydrophobicContact CG2-CG 4.15Å; I305-L309 WeakPolarHBondContact O-CB 3.28Å; I305-L309 VanDerWaalsContact O-CG 3.27Å; I305-L309 WeakPolarHBondContact O-CG 3.48Å; I305-L309 PolarHBondContact O-N 3.02Å
306A91.8Very high81.2Confident56 Ų5693.6 Ų93.646%0.46351%0.513SS..Hα-helixtrans-60.7-40.3178.800000112.1A302 A303 K310A302-A306 VanDerWaalsContact O-CB 3.29Å; A302-A306 WeakPolarHBondContact O-CB 3.33Å; A302-A306 PolarHBondContact O-N 3.42Å; A303-A306 PolarHBondContact O-N 3.28Å; A306-K310 WeakPolarHBondContact O-CB 3.47Å; A306-K310 PolarHBondContact O-N 3.45Å
307R86.3Confident81.3Confident142 Ų14299.6 Ų99.654%0.53652%0.519SS..Hα-helixtrans-63.4-48.8174.5-179.4178173169.8-2111D294 A303 L304 I305 L309 K310 T311D294-R307 IonicContact OD1-NH1 3.66Å; A303-R307 WeakPolarHBondContact O-CB 3.27Å; A303-R307 PolarHBondContact O-N 3.29Å; L304-R307 PolarHBondContact O-N 3.41Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.03Å; R307-L309 PolarHBondContact O-N 3.29Å; R307-K310 PolarHBondContact O-N 3.11Å; R307-T311 WeakPolarHBondContact O-CG2 3.42Å; R307-T311 PolarHBondContact O-N 2.92Å; R307-T311 PolarHBondContact O-OG1 3.41Å
308A89.9Confident81.2Confident52 Ų52103 Ų10343%0.4353%0.533SS..Hα-helixtrans-62.4-40.8179.800000112.5L304 I305 T311 K312L304-A308 WeakPolarHBondContact O-CB 3.28Å; L304-A308 PolarHBondContact O-N 3.4Å; I305-A308 PolarHBondContact O-N 2.89Å; A308-T311 PolarHBondContact O-OG1 3.19Å; A308-K312 VanDerWaalsContact O-CB 3.27Å; A308-K312 WeakPolarHBondContact O-CB 3.41Å; A308-K312 PolarHBondContact O-N 3.13Å
309L91.4Very high80.7Confident86 Ų86104.5 Ų104.545%0.4554%0.542SS..Hα-helixtrans-67-44.9174.3-66.6173.2000110.9I305 R307 T311 K312 F313I305-L309 HydrophobicContact CG2-CD1 3.71Å; I305-L309 HydrophobicContact CG2-CG 4.15Å; I305-L309 WeakPolarHBondContact O-CB 3.28Å; I305-L309 VanDerWaalsContact O-CG 3.27Å; I305-L309 WeakPolarHBondContact O-CG 3.48Å; I305-L309 PolarHBondContact O-N 3.02Å; R307-L309 PolarHBondContact O-N 3.29Å; L309-T311 VanDerWaalsContact C-N 3.32Å; L309-T311 PolarHBondContact O-N 3.17Å; L309-K312 PolarHBondContact O-N 3.2Å; L309-F313 HydrophobicContact CB-CD2 4.44Å; L309-F313 HydrophobicContact CD2-CE2 3.98Å; L309-F313 WeakPolarHBondContact O-CD2 3.37Å; L309-F313 PolarHBondContact O-N 2.76Å
310K88.5Confident79.6Confident147 Ų147102.6 Ų102.664%0.63954%0.535SS*.Hα-helixtrans-61-38.8178.9-176.2178.3179.6-177.40112.2A306 R307 A314A306-K310 WeakPolarHBondContact O-CB 3.47Å; A306-K310 PolarHBondContact O-N 3.45Å; R307-K310 PolarHBondContact O-N 3.11Å; K310-A314 WeakPolarHBondContact O-CB 3.37Å; K310-A314 PolarHBondContact O-N 3.17Å
311T84.2Confident77.5Confident85 Ų85102.9 Ų102.952%0.52154%0.542SS..Hα-helixtrans-70.4-47.9174.553.80000111.4R307 A308 L309 F313 A314R307-T311 WeakPolarHBondContact O-CG2 3.42Å; R307-T311 PolarHBondContact O-N 2.92Å; R307-T311 PolarHBondContact O-OG1 3.41Å; A308-T311 PolarHBondContact O-OG1 3.19Å; L309-T311 VanDerWaalsContact C-N 3.32Å; L309-T311 PolarHBondContact O-N 3.17Å; T311-F313 VanDerWaalsContact C-N 3.27Å; T311-F313 PolarHBondContact O-N 3.28Å; T311-A314 PolarHBondContact O-N 2.99Å
312K88.6Confident75.7Confident136 Ų136104.5 Ų104.559%0.59156%0.556SS**Hα-helixtrans-55.1-40.3178.7178.8171.7-177.5-83.70113A308 L309A308-K312 VanDerWaalsContact O-CB 3.27Å; A308-K312 WeakPolarHBondContact O-CB 3.41Å; A308-K312 PolarHBondContact O-N 3.13Å; L309-K312 PolarHBondContact O-N 3.2Å
313F84.7Confident73.7Confident89 Ų89107.9 Ų107.939%0.3957%0.566SS.*Hα-helixtrans-97.1-2.8-175.6-65.9-69.3000114.6L309 T311 Q315 H316L309-F313 HydrophobicContact CB-CD2 4.44Å; L309-F313 HydrophobicContact CD2-CE2 3.98Å; L309-F313 WeakPolarHBondContact O-CD2 3.37Å; L309-F313 PolarHBondContact O-N 2.76Å; T311-F313 VanDerWaalsContact C-N 3.27Å; T311-F313 PolarHBondContact O-N 3.28Å; F313-Q315 VanDerWaalsContact C-N 3.32Å; F313-Q315 PolarHBondContact O-N 2.99Å; F313-H316 HydrophobicContact CD1-CB 4.27Å; F313-H316 PolarHBondContact O-N 3.25Å
314A79.2Confident71.8Confident56 Ų56114.4 Ų114.446%0.46359%0.591SS.*Hα-helixtrans-63-40.2173.900000111.7K310 T311K310-A314 WeakPolarHBondContact O-CB 3.37Å; K310-A314 PolarHBondContact O-N 3.17Å; T311-A314 PolarHBondContact O-N 2.99Å
315Q64.6Low69.9Low148 Ų148118.2 Ų118.269%0.69261%0.606SS**G310 helixtrans-79.1-23.2179-74.3167.1-2600113.3F313 R317 H318 N319F313-Q315 VanDerWaalsContact C-N 3.32Å; F313-Q315 PolarHBondContact O-N 2.99Å; Q315-R317 PolarHBondContact O-N 3.13Å; Q315-H318 PolarHBondContact O-N 3.02Å; Q315-N319 PolarHBondContact O-ND2 2.91Å
316H62.8Low67.9Low124 Ų124120.3 Ų120.357%0.57462%0.618SS**G310 helixtrans-73.4-15.9-179-155.4-74.6000113.3F313F313-H316 HydrophobicContact CD1-CB 4.27Å; F313-H316 PolarHBondContact O-N 3.25Å
317R60.3Low65.5Low199 Ų199120.7 Ų120.775%0.75162%0.618SS**G310 helixtrans-83.5-14176.6-71.9-162.2161.9100-0.4114.7Q315Q315-R317 PolarHBondContact O-N 3.13Å
318H55.9Low63.8Low152 Ų152122.2 Ų122.270%0.70464%0.635SS**SBendtrans-87.3-8.8177.9-69.4-67.8000113.4Q315Q315-H318 PolarHBondContact O-N 3.02Å
319N50.6Low61.9Low136 Ų136127.8 Ų127.873%0.72765%0.652SS**SBendtrans-98.71.8-176.2-71.3-75.7000113.7Q315Q315-N319 PolarHBondContact O-ND2 2.91Å
320T52.8Low59.8Low108 Ų108131.9 Ų131.966%0.66367%0.674SS**SBendtrans-112.55-178.664.10000113.5
321S45Very low57.7Low71 Ų71128.9 Ų128.950%0.49767%0.671SS.*  trans-92.8100.1170.964.30000109.3D323S321-D323 PolarHBondContact O-N 3.22Å
322S51.1Low56.3Low129 Ų129130.7 Ų130.790%0.90269%0.685SS**  trans-69.319.4171-71.70000114.2
323D51.7Low54.1Low131 Ų131133.4 Ų133.470%0.70170%0.697SS**  trans-142.885.4-178.3-172.616.1000109.6S321S321-D323 PolarHBondContact O-N 3.22Å
324K47.1Very low51.9Low155 Ų155131.8 Ų131.867%0.67471%0.706SS**  trans-15159.3164.2-153152.3179.2173.80110.2N326K324-N326 PolarHBondContact O-N 3.18Å; K324-N326 VanDerWaalsContact O-N 3.17Å
325E50.4Low50.2Low182 Ų182134.3 Ų134.385%0.8572%0.72SS**  trans-80.330.1172.1-47.6-168.7159.400111.7
326N48.2Very low49.3Very low142 Ų142133.4 Ų133.476%0.75973%0.727SS**  trans-165.264.9175-152.3-13.7000112.5K324K324-N326 PolarHBondContact O-N 3.18Å; K324-N326 VanDerWaalsContact O-N 3.17Å
327S41.6Very low48.3Very low65 Ų65135 Ų13546%0.45574%0.739SS.*  trans-132.2111.7155.848.90000107.8E329S327-E329 PolarHBondContact O-N 3.13Å
328L52.2Low47.9Very low174 Ų174131.2 Ų131.291%0.91174%0.738SS**  trans-6371.2167.2-64.6170.2000109.2
329E48.1Very low47.4Very low168 Ų168129 Ų12979%0.78574%0.738SS**  trans-121.798.6164.5-84.5-161176.600107.9S327 S331S327-E329 PolarHBondContact O-N 3.13Å; E329-S331 PolarHBondContact O-N 3.2Å
330L48.9Very low47.1Very low172 Ų172128.5 Ų128.590%0.90174%0.742SS**  trans25.281.6146.9-58.6174.2000115.3P332L330-P332 WeakPolarHBondContact O-CD 3.41Å
331S43.3Very low46.5Very low84 Ų84128.9 Ų128.959%0.58774%0.743SS**  trans-57.4127162.6-177.80000109.8E329 F333 G334E329-S331 PolarHBondContact O-N 3.2Å; S331-F333 PolarHBondContact O-N 3.12Å; S331-F333 PolarHBondContact OG-N 3.5Å; S331-G334 PolarHBondContact O-N 3.15Å
332P55.3Low46.2Very low123 Ų123129.5 Ų129.580%0.79975%0.748SS**THydrogen-bonded Turntrans-65.6-2.5173.7-19.732.3000114.2L330L330-P332 WeakPolarHBondContact O-CD 3.41Å
333F42.9Very low46.2Very low193 Ų193131.4 Ų131.485%0.84674%0.742SS**THydrogen-bonded Turntrans-128.734.3178.6-68.3-79000112S331S331-F333 PolarHBondContact O-N 3.12Å; S331-F333 PolarHBondContact OG-N 3.5Å
334G38.1Very low45.7Very low56 Ų56132.9 Ų132.958%0.57775%0.745SS**  trans-72.1126.4164.300000110.5S331S331-G334 PolarHBondContact O-N 3.15Å
335S42.4Very low45.4Very low109 Ų109130.2 Ų130.276%0.76275%0.751SS**  trans-49.4147.2171.4-65.70000111.8D337S335-D337 PolarHBondContact O-N 3.49Å
336P45.8Very low45Very low129 Ų129133.4 Ų133.484%0.83876%0.755SS**  trans-75.297.9-17931-30.8000109.4V338P336-V338 PolarHBondContact O-N 3.22Å
337D42.9Very low44.8Very low157 Ų157138.1 Ų138.184%0.8476%0.763SS**  trans-73.2108.6160-89.6-33.7000108.5S335S335-D337 PolarHBondContact O-N 3.49Å
338V51.6Low44.8Very low119 Ų119140.4 Ų140.472%0.72178%0.779SS**  trans23.5112.2158.1-156.90000116.7P336P336-V338 PolarHBondContact O-N 3.22Å
339P45.2Very low44.4Very low107 Ų107141 Ų14170%0.69578%0.777SS**  trans-71.5141.116929.4-31.2000110.6V341P339-V341 PolarHBondContact O-N 3.13Å
340P44.4Very low44Very low125 Ų125136.4 Ų136.481%0.81277%0.774SS**  trans-63.7127.8171.426.9-31.5000109.1S342P340-S342 PolarHBondContact O-N 2.97Å
341V40.2Very low43.5Very low115 Ų115138.6 Ų138.670%0.69777%0.77SS**  trans-59.7102.4175.7178.10000108.8P339 H343P339-V341 PolarHBondContact O-N 3.13Å; V341-H343 PolarHBondContact O-N 2.96Å
342S39.8Very low43.4Very low85 Ų85146 Ų14659%0.59479%0.785SS**  trans-83104.4163.8-157.20000108.2P340 H344P340-S342 PolarHBondContact O-N 2.97Å; S342-H344 PolarHBondContact O-N 2.99Å; S342-H344 PolarHBondContact OG-CD2 3.34Å; S342-H344 PolarHBondContact OG-NE2 3.47Å
343H49.6Very low42.7Very low169 Ų169147.8 Ų147.878%0.78278%0.783SS**  trans-67.594.3170.7-75.7-85.2000109.4V341V341-H343 PolarHBondContact O-N 2.96Å
344H41.9Very low42.5Very low162 Ų162146.4 Ų146.475%0.7578%0.783SS**  trans-109.3123161.5-66.5-50000109.7S342 R346S342-H344 PolarHBondContact O-N 2.99Å; S342-H344 PolarHBondContact OG-CD2 3.34Å; S342-H344 PolarHBondContact OG-NE2 3.47Å; H344-R346 PolarHBondContact O-N 3.39Å
345A41.2Very low42.6Very low99 Ų99152.1 Ų152.182%0.81880%0.8SS**  trans-47.5130-172.400000112.6R347A345-R347 PolarHBondContact O-N 3.31Å
346R40.8Very low42.6Very low248 Ų248152.9 Ų152.994%0.93680%0.8SS**  trans-56.3106.9165.7-84.7-178.9164.1-118.40.2108.8H344 S348H344-R346 PolarHBondContact O-N 3.39Å; R346-S348 PolarHBondContact O-N 2.91Å; R346-S348 VanDerWaalsContact O-N 3.13Å
347R44.8Very low42.5Very low241 Ų241156 Ų15691%0.90983%0.825SS**  trans-58.6108.5162.7-158177.8-159.3-172.45107.3A345 Q349A345-R347 PolarHBondContact O-N 3.31Å; R347-Q349 PolarHBondContact O-N 2.9Å
348S42.2Very low42.5Very low113 Ų113155.9 Ų155.979%0.7982%0.824SS**PPolyproline II helixtrans-63117.1175.544.70000109.2R346 G350R346-S348 PolarHBondContact O-N 2.91Å; R346-S348 VanDerWaalsContact O-N 3.13Å; S348-G350 PolarHBondContact O-N 3.02Å
349Q43.4Very low42Very low188 Ų188157.8 Ų157.888%0.87983%0.829SS**PPolyproline II helixtrans-64.6128.8167.3-78.2-83.3-13.200108.4R347 R351R347-Q349 PolarHBondContact O-N 2.9Å; Q349-R351 PolarHBondContact O-N 3.44Å
350G39.1Very low41.9Very low70 Ų70160.7 Ų160.772%0.72284%0.837SS**PPolyproline II helixtrans-59.4129.5-174.900000112.9S348 R352S348-G350 PolarHBondContact O-N 3.02Å; G350-R352 PolarHBondContact O-N 3.45Å
351R39Very low41.7Very low218 Ų218162.8 Ų162.882%0.82384%0.838SS**  trans-77.4106169.7-158.6179.2-169.5-142.53.6107.8Q349 H353Q349-R351 PolarHBondContact O-N 3.44Å; R351-H353 PolarHBondContact O-N 3.39Å
352R41.8Very low41.8Very low239 Ų239165.8 Ų165.890%0.90285%0.847SS**PPolyproline II helixtrans-69.8117.4166.7-78.7179.5150.7159.6-6.1108.2G350G350-R352 PolarHBondContact O-N 3.45Å
353H39.7Very low41.9Very low161 Ų161171.1 Ų171.175%0.74586%0.864SS**PPolyproline II helixtrans-70.7122.9167.8-78.5-92000109R351R351-H353 PolarHBondContact O-N 3.39Å
354L38.8Very low41.4Very low164 Ų164171.3 Ų171.386%0.85987%0.87SS**PPolyproline II helixtrans-82.8118.7161.7-72.2167.7000107.1
355L40.1Very low41.4Very low176 Ų176172 Ų17292%0.92188%0.879SS**PPolyproline II helixtrans-79.4119.8162-76.9160.3000107
356T41.5Very low41.4Very low126 Ų126178.1 Ų178.177%0.77388%0.884SS**  trans-113.2128.7159.143.50000107.8
357S45.3Very low41.4Very low193 Ų193171.7 Ų171.7100%1.3588%0.879SS**  trans-19.60163.647.70000117.9

Retrieved 357 of 357 residues in 276.3 ms (Link to these results)