A0A077Z8C7_TRITR Loading...

Cuticle collagen 6 (Protein roller 8)

AlphaFold DB , UniProt , Accession A0A077Z8C7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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
1M39.3Very low48.2Very low231 Ų231140.5 Ų140.5100%1.13875%0.746SS**  093.20-66171.8-173.500105.4
2I36.2Very low49.2Very low159 Ų159134.2 Ų134.282%0.81573%0.728SS**  56.8113.374-50.1170.2000107.1
3C36.3Very low50.4Low121 Ų121133.3 Ų133.382%0.81872%0.716SS**  cis-165.1159.328.1-123.80000110.3
4E43.9Very low51.4Low143 Ų143128.8 Ų128.867%0.66870%0.699SS**  trans-63.7165.3156.8-127.8-174.213800111.3
5P49.5Very low52.8Low117 Ų117126.9 Ų126.976%0.7668%0.684SS**  -148.7129.87433.8-11.8000116.2A7P5-A7 PolarHBondContact O-N 2.79Å
6K56.8Low54.3Low171 Ų171126.8 Ų126.874%0.74368%0.677SS**G310 helixtrans-76.9-0.6-179.2-82.4178174.6171.40117.1F8K6-F8 PolarHBondContact O-N 3.12Å
7A55.2Low55.7Low78 Ų78126.9 Ų126.965%0.64568%0.675SS**G310 helixtrans-76.8-18.2-170.200000115.5P5P5-A7 PolarHBondContact O-N 2.79Å
8F50.3Low57.2Low182 Ų182129.5 Ų129.580%0.79867%0.674SS**G310 helixtrans-87.1-15.9-177.4-120.1-93.4000114.1K6K6-F8 PolarHBondContact O-N 3.12Å
9C49.7Very low58.6Low77 Ų77129.8 Ų129.852%0.5267%0.669SS.*Hα-helixtrans-72.9-30.6-175.6-153.50000112.2I11 A12 E13C9-I11 PolarHBondContact O-N 2.77Å; C9-A12 PolarHBondContact O-N 2.91Å; C9-E13 PolarHBondContact O-N 2.91Å; C9-E13 VanDerWaalsContact O-N 3.08Å
10E55.4Low60.1Low149 Ų149126.3 Ų126.370%0.69665%0.654SS**Hα-helixtrans-66.9-34.6-173.7-132.8174165.400113.4C14E10-C14 WeakPolarHBondContact O-CB 3.41Å; E10-C14 PolarHBondContact O-N 3.49Å; E10-C14 VanDerWaalsContact O-N 3.08Å
11I57.7Low61.4Low117 Ų117122.9 Ų122.960%0.664%0.644SS**Hα-helixtrans-74.8-36.7-179.7-56.9174.9000111C9 C14 Q15C9-I11 PolarHBondContact O-N 2.77Å; I11-C14 PolarHBondContact O-N 2.84Å; I11-Q15 PolarHBondContact O-N 2.75Å
12A59.8Low63.8Low65 Ų65118.7 Ų118.754%0.53762%0.62SS.*Hα-helixtrans-69.6-41.8177.900000111.5C9 C14 Q15 H16C9-A12 PolarHBondContact O-N 2.91Å; A12-C14 VanDerWaalsContact C-N 3.33Å; A12-C14 PolarHBondContact O-N 3.06Å; A12-Q15 PolarHBondContact O-N 3.26Å; A12-H16 PolarHBondContact O-N 3Å
13E64.6Low66.5Low123 Ų123116.1 Ų116.158%0.57561%0.607SS**Hα-helixtrans-62.2-40.2173.1-75.9-170.5155.200111.6C9 Q15 H16 M17C9-E13 PolarHBondContact O-N 2.91Å; C9-E13 VanDerWaalsContact O-N 3.08Å; E13-Q15 PolarHBondContact O-N 3.23Å; E13-H16 PolarHBondContact O-N 3.31Å; E13-M17 WeakPolarHBondContact O-CB 3.06Å; E13-M17 WeakPolarHBondContact O-CG 3.36Å; E13-M17 PolarHBondContact O-N 3.39Å
14C64.6Low69.2Low70 Ų70113.1 Ų113.147%0.47359%0.591SS.*Hα-helixtrans-64.6-37.6179.2-141.50000112.7E10 I11 A12 R18E10-C14 WeakPolarHBondContact O-CB 3.41Å; E10-C14 PolarHBondContact O-N 3.49Å; E10-C14 VanDerWaalsContact O-N 3.08Å; I11-C14 PolarHBondContact O-N 2.84Å; A12-C14 VanDerWaalsContact C-N 3.33Å; A12-C14 PolarHBondContact O-N 3.06Å; C14-R18 WeakPolarHBondContact O-CG 3.42Å; C14-R18 PolarHBondContact O-N 3.31Å; C14-R18 VanDerWaalsContact O-N 3.09Å
15Q72.3Confident71.6Confident100 Ų100110.4 Ų110.447%0.46758%0.584SS.*Hα-helixtrans-70.2-37.5174.4-71.3-68.3-33.400112.2I11 A12 E13 R18 K19I11-Q15 PolarHBondContact O-N 2.75Å; A12-Q15 PolarHBondContact O-N 3.26Å; E13-Q15 PolarHBondContact O-N 3.23Å; Q15-R18 PolarHBondContact O-N 2.73Å; Q15-K19 WeakPolarHBondContact O-CG 3.37Å; Q15-K19 PolarHBondContact O-N 2.89Å; Q15-K19 VanDerWaalsContact O-N 3.15Å
16H76.7Confident73.7Confident126 Ų126107.6 Ų107.658%0.58356%0.564SS**Hα-helixtrans-65.6-45.4175.7-164.965.1000111.1A12 E13 R18 K19 T20A12-H16 PolarHBondContact O-N 3Å; E13-H16 PolarHBondContact O-N 3.31Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 3.19Å; H16-K19 PolarHBondContact O-N 3.09Å; H16-K19 VanDerWaalsContact O-N 3.16Å; H16-T20 WeakPolarHBondContact O-CG2 3.41Å; H16-T20 PolarHBondContact O-N 2.99Å; H16-T20 PolarHBondContact O-OG1 2.82Å
17M78.3Confident75.5Confident129 Ų129105.2 Ų105.264%0.63556%0.559SS**Hα-helixtrans-61.8-36.7177-70.4-70.8-83.600112.8E13 T20 A21E13-M17 WeakPolarHBondContact O-CB 3.06Å; E13-M17 WeakPolarHBondContact O-CG 3.36Å; E13-M17 PolarHBondContact O-N 3.39Å; M17-T20 WeakPolarHBondContact CA-OG1 3.37Å; M17-T20 PolarHBondContact O-OG1 3.44Å; M17-A21 VanDerWaalsContact O-CB 3.24Å; M17-A21 WeakPolarHBondContact O-CB 3.29Å; M17-A21 PolarHBondContact O-N 2.94Å
18R82.4Confident77.4Confident173 Ų173104.6 Ų104.665%0.65355%0.55SS**Hα-helixtrans-66.9-40.9173.9-77179.5-178-167.11.1112.5C14 Q15 H16 F22C14-R18 WeakPolarHBondContact O-CG 3.42Å; C14-R18 PolarHBondContact O-N 3.31Å; C14-R18 VanDerWaalsContact O-N 3.09Å; Q15-R18 PolarHBondContact O-N 2.73Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 3.19Å; R18-F22 WeakPolarHBondContact O-CB 3.21Å; R18-F22 PolarHBondContact O-N 3.29Å
19K84.5Confident79.5Confident136 Ų13699.3 Ų99.359%0.59153%0.533SS*.Hα-helixtrans-67.8-43177.9-72.3177.7-178.4-1790111.6Q15 H16 F22 L23Q15-K19 WeakPolarHBondContact O-CG 3.37Å; Q15-K19 PolarHBondContact O-N 2.89Å; Q15-K19 VanDerWaalsContact O-N 3.15Å; H16-K19 PolarHBondContact O-N 3.09Å; H16-K19 VanDerWaalsContact O-N 3.16Å; K19-F22 PolarHBondContact O-N 3.28Å; K19-L23 WeakPolarHBondContact O-CB 3.13Å; K19-L23 WeakPolarHBondContact O-CG 3.33Å; K19-L23 PolarHBondContact O-N 3.5Å
20T87.9Confident81.7Confident59 Ų5999.4 Ų99.436%0.36253%0.531SS..Hα-helixtrans-65.3-40.3176.554.10000111.4H16 M17 L23 A24H16-T20 WeakPolarHBondContact O-CG2 3.41Å; H16-T20 PolarHBondContact O-N 2.99Å; H16-T20 PolarHBondContact O-OG1 2.82Å; M17-T20 WeakPolarHBondContact CA-OG1 3.37Å; M17-T20 PolarHBondContact O-OG1 3.44Å; T20-L23 PolarHBondContact O-N 2.87Å; T20-A24 WeakPolarHBondContact O-CB 3.46Å; T20-A24 PolarHBondContact O-N 3.2Å
21A87.9Confident83.6Confident54 Ų5494.9 Ų94.945%0.44652%0.519SS..Hα-helixtrans-62-44.6173.700000112.2M17 A24 V25M17-A21 VanDerWaalsContact O-CB 3.24Å; M17-A21 WeakPolarHBondContact O-CB 3.29Å; M17-A21 PolarHBondContact O-N 2.94Å; A21-A24 PolarHBondContact O-N 2.88Å; A21-V25 WeakPolarHBondContact O-CG2 3.18Å; A21-V25 PolarHBondContact O-N 2.75Å; A21-V25 VanDerWaalsContact O-N 3.07Å
22F90.2Very high85.5Confident144 Ų14493.6 Ų93.663%0.63252%0.516SS*.Hα-helixtrans-62.8-45176.5-173.1-95.2000111.7R18 K19 A24 V25 V26R18-F22 WeakPolarHBondContact O-CB 3.21Å; R18-F22 PolarHBondContact O-N 3.29Å; K19-F22 PolarHBondContact O-N 3.28Å; F22-A24 VanDerWaalsContact C-N 3.32Å; F22-A24 PolarHBondContact O-N 2.68Å; F22-V25 PolarHBondContact O-N 3.2Å; F22-V26 HydrophobicContact CD1-CG2 3.93Å; F22-V26 HydrophobicContact CE1-CG2 3.57Å; F22-V26 HydrophobicContact CZ-CG2 3.98Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.2Å
23L92Very high87.1Confident105 Ų10596.6 Ų96.655%0.5552%0.521SS..Hα-helixtrans-61.7-39.6176-73.6172.9000112.1K19 T20 V25 V26 L27K19-L23 WeakPolarHBondContact O-CB 3.13Å; K19-L23 WeakPolarHBondContact O-CG 3.33Å; K19-L23 PolarHBondContact O-N 3.5Å; T20-L23 PolarHBondContact O-N 2.87Å; L23-V25 VanDerWaalsContact C-N 3.34Å; L23-V25 PolarHBondContact O-N 3.36Å; L23-V26 PolarHBondContact O-N 3.14Å; L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 2.94Å
24A93Very high88.5Confident58 Ų5895 Ų9548%0.47952%0.519SS..Hα-helixtrans-63.3-39.5176.700000112.2T20 A21 F22 L27 S28T20-A24 WeakPolarHBondContact O-CB 3.46Å; T20-A24 PolarHBondContact O-N 3.2Å; A21-A24 PolarHBondContact O-N 2.88Å; F22-A24 VanDerWaalsContact C-N 3.32Å; F22-A24 PolarHBondContact O-N 2.68Å; A24-L27 PolarHBondContact O-N 2.85Å; A24-S28 WeakPolarHBondContact O-CB 3.29Å; A24-S28 PolarHBondContact O-N 3.43Å; A24-S28 PolarHBondContact O-OG 3Å
25V93.8Very high90Very high86 Ų8694.3 Ų94.352%0.52152%0.515SS..Hα-helixtrans-68-41.3174.9175.10000111.2A21 F22 L23 S28 T29A21-V25 WeakPolarHBondContact O-CG2 3.18Å; A21-V25 PolarHBondContact O-N 2.75Å; A21-V25 VanDerWaalsContact O-N 3.07Å; F22-V25 PolarHBondContact O-N 3.2Å; L23-V25 VanDerWaalsContact C-N 3.34Å; L23-V25 PolarHBondContact O-N 3.36Å; V25-S28 PolarHBondContact O-N 3.28Å; V25-S28 PolarHBondContact O-OG 2.95Å; V25-T29 HydrophobicContact CG1-CG2 4.45Å; V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 VanDerWaalsContact O-CG2 3.29Å; V25-T29 WeakPolarHBondContact O-CG2 3.11Å; V25-T29 PolarHBondContact O-N 3.35Å; V25-T29 PolarHBondContact O-OG1 3.21Å
26V94.5Very high91Very high57 Ų5794 Ų9435%0.34552%0.52SS..Hα-helixtrans-64-42.8175.4174.60000111F22 L23 T29 V30F22-V26 HydrophobicContact CD1-CG2 3.93Å; F22-V26 HydrophobicContact CE1-CG2 3.57Å; F22-V26 HydrophobicContact CZ-CG2 3.98Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.2Å; L23-V26 PolarHBondContact O-N 3.14Å; V26-T29 WeakPolarHBondContact CA-OG1 3.16Å; V26-T29 PolarHBondContact O-N 3.01Å; V26-T29 PolarHBondContact O-OG1 2.99Å; V26-V30 HydrophobicContact CG1-CG2 4.41Å; V26-V30 WeakPolarHBondContact O-CB 3.39Å; V26-V30 VanDerWaalsContact O-CG2 3.23Å; V26-V30 WeakPolarHBondContact O-CG2 3.38Å; V26-V30 PolarHBondContact O-N 3.43Å
27L95.3Very high91.8Very high122 Ų12292.3 Ų92.364%0.63952%0.519SS*.Hα-helixtrans-66-40.1177.1-71.6172.5000112.3L23 A24 V30 A31L23-L27 WeakPolarHBondContact O-CB 3.37Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 2.94Å; A24-L27 PolarHBondContact O-N 2.85Å; L27-V30 PolarHBondContact O-N 2.9Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.98Å
28S94.9Very high92.5Very high64 Ų6488.4 Ų88.445%0.44850%0.504SS..Hα-helixtrans-67-42.5177.774.30000111.6A24 V25 A31 V32A24-S28 WeakPolarHBondContact O-CB 3.29Å; A24-S28 PolarHBondContact O-N 3.43Å; A24-S28 PolarHBondContact O-OG 3Å; V25-S28 PolarHBondContact O-N 3.28Å; V25-S28 PolarHBondContact O-OG 2.95Å; S28-A31 PolarHBondContact O-N 3.46Å; S28-V32 VanDerWaalsContact O-CG2 3.32Å; S28-V32 WeakPolarHBondContact O-CG2 3.33Å; S28-V32 PolarHBondContact O-N 3Å
29T94.9Very high93Very high71 Ų7186 Ų8644%0.43650%0.503SS..Hα-helixtrans-63-44.6175.651.30000111.8V25 V26 A31 V32 M33V25-T29 HydrophobicContact CG1-CG2 4.45Å; V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 VanDerWaalsContact O-CG2 3.29Å; V25-T29 WeakPolarHBondContact O-CG2 3.11Å; V25-T29 PolarHBondContact O-N 3.35Å; V25-T29 PolarHBondContact O-OG1 3.21Å; V26-T29 WeakPolarHBondContact CA-OG1 3.16Å; V26-T29 PolarHBondContact O-N 3.01Å; V26-T29 PolarHBondContact O-OG1 2.99Å; T29-A31 PolarHBondContact O-N 3.44Å; T29-V32 PolarHBondContact O-N 2.89Å; T29-M33 VanDerWaalsContact O-CG 3.25Å; T29-M33 WeakPolarHBondContact O-CG 3.47Å; T29-M33 PolarHBondContact O-N 2.77Å
30V95.6Very high93.4Very high79 Ų7983.2 Ų83.248%0.47950%0.499SS..Hα-helixtrans-61.4-44175172.10000111.1V26 L27 V32 M33 V34V26-V30 HydrophobicContact CG1-CG2 4.41Å; V26-V30 WeakPolarHBondContact O-CB 3.39Å; V26-V30 VanDerWaalsContact O-CG2 3.23Å; V26-V30 WeakPolarHBondContact O-CG2 3.38Å; V26-V30 PolarHBondContact O-N 3.43Å; L27-V30 PolarHBondContact O-N 2.9Å; V30-V32 VanDerWaalsContact C-N 3.34Å; V30-V32 PolarHBondContact O-N 2.72Å; V30-M33 PolarHBondContact O-N 3.41Å; V30-V34 HydrophobicContact CG1-CG2 4.28Å; V30-V34 VanDerWaalsContact O-CG2 3.32Å; V30-V34 WeakPolarHBondContact O-CG2 3.32Å; V30-V34 PolarHBondContact O-N 2.62Å
31A95.2Very high93.6Very high54 Ų5485.1 Ų85.145%0.44651%0.506SS..Hα-helixtrans-62.2-39.5178.200000112.6L27 S28 T29 S35L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.98Å; S28-A31 PolarHBondContact O-N 3.46Å; T29-A31 PolarHBondContact O-N 3.44Å; A31-S35 WeakPolarHBondContact O-CB 3.28Å; A31-S35 PolarHBondContact O-N 2.07Å; A31-S35 PolarHBondContact O-OG 2.97Å
32V96.1Very high93.9Very high90 Ų9086.5 Ų86.555%0.54551%0.509SS..Hα-helixtrans-65.1-45.5174.2172.90000110.5S28 T29 V30 V34 S35 V36S28-V32 VanDerWaalsContact O-CG2 3.32Å; S28-V32 WeakPolarHBondContact O-CG2 3.33Å; S28-V32 PolarHBondContact O-N 3Å; T29-V32 PolarHBondContact O-N 2.89Å; V30-V32 VanDerWaalsContact C-N 3.34Å; V30-V32 PolarHBondContact O-N 2.72Å; V32-V34 PolarHBondContact O-N 3.28Å; V32-S35 PolarHBondContact O-N 3.11Å; V32-V36 HydrophobicContact CG1-CG2 4.22Å; V32-V36 VanDerWaalsContact O-CG2 3.27Å; V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 3.02Å
33M94Very high94.1Very high129 Ų12986.4 Ų86.464%0.63551%0.506SS*.Hα-helixtrans-62.6-42.4178.3-66.3-62.1-81.200112T29 V30 S35 V36 V37T29-M33 VanDerWaalsContact O-CG 3.25Å; T29-M33 WeakPolarHBondContact O-CG 3.47Å; T29-M33 PolarHBondContact O-N 2.77Å; V30-M33 PolarHBondContact O-N 3.41Å; M33-S35 VanDerWaalsContact C-N 3.33Å; M33-S35 PolarHBondContact O-N 3.46Å; M33-V36 PolarHBondContact O-N 3.1Å; M33-V37 WeakPolarHBondContact O-CG2 3.36Å; M33-V37 PolarHBondContact O-N 3.31Å; M33-V37 VanDerWaalsContact O-N 3.09Å
34V95Very high94.1Very high88 Ų8886.2 Ų86.253%0.53350%0.502SS..Hα-helixtrans-61.9-42.2174.6172.20000110.7V30 V32 V37 S38V30-V34 HydrophobicContact CG1-CG2 4.28Å; V30-V34 VanDerWaalsContact O-CG2 3.32Å; V30-V34 WeakPolarHBondContact O-CG2 3.32Å; V30-V34 PolarHBondContact O-N 2.62Å; V32-V34 PolarHBondContact O-N 3.28Å; V34-V37 PolarHBondContact O-N 3.22Å; V34-S38 WeakPolarHBondContact O-CB 3.39Å; V34-S38 PolarHBondContact O-N 2.8Å; V34-S38 PolarHBondContact O-OG 2.98Å
35S94.5Very high93.9Very high56 Ų5689.5 Ų89.539%0.39251%0.507SS..Hα-helixtrans-64.8-45178.2-57.50000111.8A31 V32 M33 V37 S38 L39A31-S35 WeakPolarHBondContact O-CB 3.28Å; A31-S35 PolarHBondContact O-N 2.07Å; A31-S35 PolarHBondContact O-OG 2.97Å; V32-S35 PolarHBondContact O-N 3.11Å; M33-S35 VanDerWaalsContact C-N 3.33Å; M33-S35 PolarHBondContact O-N 3.46Å; S35-V37 PolarHBondContact O-N 3.14Å; S35-S38 PolarHBondContact O-N 2.83Å; S35-S38 PolarHBondContact O-OG 2.94Å; S35-L39 VanDerWaalsContact O-CB 3.29Å; S35-L39 WeakPolarHBondContact O-CB 3.46Å; S35-L39 WeakPolarHBondContact O-CD1 3.39Å; S35-L39 WeakPolarHBondContact O-CG 3.48Å; S35-L39 PolarHBondContact O-N 3.22Å
36V94.6Very high93.9Very high93 Ų9390.4 Ų90.456%0.56451%0.508SS*.Hα-helixtrans-62.6-31.5178.9171.90000112V32 M33 P40V32-V36 HydrophobicContact CG1-CG2 4.22Å; V32-V36 VanDerWaalsContact O-CG2 3.27Å; V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 3.02Å; M33-V36 PolarHBondContact O-N 3.1Å; V36-P40 WeakPolarHBondContact O-CD 3.4Å; V36-P40 VanDerWaalsContact O-CG 3.23Å; V36-P40 WeakPolarHBondContact O-CG 3.42Å
37V92.4Very high93.8Very high92 Ų9292 Ų9256%0.55851%0.512SS*.Hα-helixtrans-86.1-42.3177.8176.50000112M33 V34 S35 P40 L41M33-V37 WeakPolarHBondContact O-CG2 3.36Å; M33-V37 PolarHBondContact O-N 3.31Å; M33-V37 VanDerWaalsContact O-N 3.09Å; V34-V37 PolarHBondContact O-N 3.22Å; S35-V37 PolarHBondContact O-N 3.14Å; V37-P40 WeakPolarHBondContact O-CD 3.47Å; V37-L41 HydrophobicContact CG1-CD1 3.91Å; V37-L41 WeakPolarHBondContact O-CD1 3.46Å
38S93.3Very high93.6Very high47 Ų4790 Ų9033%0.32950%0.502SS..Hα-helixtrans-73.9-38.1-175.356.20000113.5V34 S35 L41 V42V34-S38 WeakPolarHBondContact O-CB 3.39Å; V34-S38 PolarHBondContact O-N 2.8Å; V34-S38 PolarHBondContact O-OG 2.98Å; S35-S38 PolarHBondContact O-N 2.83Å; S35-S38 PolarHBondContact O-OG 2.94Å; S38-L41 PolarHBondContact O-N 3.39Å; S38-V42 VanDerWaalsContact O-CG2 3.32Å; S38-V42 WeakPolarHBondContact O-CG2 3.32Å; S38-V42 PolarHBondContact O-N 3.23Å
39L93.4Very high93.4Very high121 Ų12191.8 Ų91.863%0.63451%0.506SS*.Hα-helixtrans-59.7-49.3-178.9-78.4157.9000112.5S35 L41 V42 Y43S35-L39 VanDerWaalsContact O-CB 3.29Å; S35-L39 WeakPolarHBondContact O-CB 3.46Å; S35-L39 WeakPolarHBondContact O-CD1 3.39Å; S35-L39 WeakPolarHBondContact O-CG 3.48Å; S35-L39 PolarHBondContact O-N 3.22Å; L39-L41 PolarHBondContact O-N 2.93Å; L39-V42 PolarHBondContact O-N 2.88Å; L39-Y43 WeakPolarHBondContact O-CB 3.28Å; L39-Y43 PolarHBondContact O-N 3.33Å
40P93.3Very high93.2Very high78 Ų7893.3 Ų93.351%0.50651%0.508SS..Hα-helixtrans-63.3-37.8175.5-23.634.5000113.5V36 V37 Y43 H44V36-P40 WeakPolarHBondContact O-CD 3.4Å; V36-P40 VanDerWaalsContact O-CG 3.23Å; V36-P40 WeakPolarHBondContact O-CG 3.42Å; V37-P40 WeakPolarHBondContact O-CD 3.47Å; P40-Y43 PolarHBondContact O-N 3.48Å; P40-H44 WeakPolarHBondContact O-CB 3.22Å; P40-H44 PolarHBondContact O-N 2.87Å
41L92.1Very high93Very high99 Ų9993.6 Ų93.652%0.51851%0.51SS..Hα-helixtrans-63.3-47.3177.3-83.1162.2000111.4V37 S38 L39 Y43 H44 H45V37-L41 HydrophobicContact CG1-CD1 3.91Å; V37-L41 WeakPolarHBondContact O-CD1 3.46Å; S38-L41 PolarHBondContact O-N 3.39Å; L39-L41 PolarHBondContact O-N 2.93Å; L41-Y43 VanDerWaalsContact C-N 3.35Å; L41-H44 PolarHBondContact O-N 3.13Å; L41-H45 PolarHBondContact O-CD2 2.88Å; L41-H45 VanDerWaalsContact O-CD2 3.3Å; L41-H45 PolarHBondContact O-N 3.35Å
42V93.6Very high92.5Very high84 Ų8496.1 Ų96.151%0.50951%0.513SS..Hα-helixtrans-63.3-43.7176.6173.50000110.4S38 L39 H44 H45 L46S38-V42 VanDerWaalsContact O-CG2 3.32Å; S38-V42 WeakPolarHBondContact O-CG2 3.32Å; S38-V42 PolarHBondContact O-N 3.23Å; L39-V42 PolarHBondContact O-N 2.88Å; V42-H44 PolarHBondContact O-N 3.17Å; V42-H45 PolarHBondContact O-N 3.25Å; V42-L46 HydrophobicContact CG1-CD1 4Å; V42-L46 HydrophobicContact CG1-CG 4.36Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.43Å
43Y93.6Very high92.1Very high142 Ų14295.2 Ų95.256%0.55750%0.504SS*.Hα-helixtrans-60.5-44.5177.7-174.5-100.9000112.1L39 P40 L41 L46 Q47L39-Y43 WeakPolarHBondContact O-CB 3.28Å; L39-Y43 PolarHBondContact O-N 3.33Å; P40-Y43 PolarHBondContact O-N 3.48Å; L41-Y43 VanDerWaalsContact C-N 3.35Å; Y43-L46 PolarHBondContact O-N 3.46Å; Y43-Q47 HydrophobicContact CD1-CG 4.24Å; Y43-Q47 HydrophobicContact CE1-CG 3.9Å; Y43-Q47 VanDerWaalsContact CZ-NE2 3.32Å; Y43-Q47 WeakPolarHBondContact O-CG 3.29Å; Y43-Q47 PolarHBondContact O-N 3.35Å; Y43-Q47 PolarHBondContact OH-NE2 3.2Å
44H92Very high91.8Very high100 Ų10093.4 Ų93.446%0.46350%0.497SS..Hα-helixtrans-62.5-42.5176.1179.4-92.9000112.3P40 L41 V42 Q47 N48P40-H44 WeakPolarHBondContact O-CB 3.22Å; P40-H44 PolarHBondContact O-N 2.87Å; L41-H44 PolarHBondContact O-N 3.13Å; V42-H44 PolarHBondContact O-N 3.17Å; H44-Q47 PolarHBondContact O-N 3.49Å; H44-N48 PolarHBondContact CE1-ND2 3.49Å; H44-N48 PolarHBondContact O-N 2.91Å
45H90.2Very high91.4Very high127 Ų12796.1 Ų96.159%0.58850%0.504SS*.Hα-helixtrans-63.8-40.5175.2-86.5-67.3000112.8L41 V42 N48 L49L41-H45 PolarHBondContact O-CD2 2.88Å; L41-H45 VanDerWaalsContact O-CD2 3.3Å; L41-H45 PolarHBondContact O-N 3.35Å; V42-H45 PolarHBondContact O-N 3.25Å; H45-N48 PolarHBondContact O-N 3.43Å; H45-L49 WeakPolarHBondContact O-CB 3.28Å; H45-L49 PolarHBondContact O-N 3.49Å
46L93.2Very high90.8Very high106 Ų10696.9 Ų96.956%0.55550%0.501SS*.Hα-helixtrans-66.5-39.4176.3-71.4174.7000112V42 Y43 L49 Q50V42-L46 HydrophobicContact CG1-CD1 4Å; V42-L46 HydrophobicContact CG1-CG 4.36Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.43Å; Y43-L46 PolarHBondContact O-N 3.46Å; L46-L49 PolarHBondContact O-N 3.36Å; L46-Q50 WeakPolarHBondContact O-CB 3.46Å; L46-Q50 PolarHBondContact O-N 2.91Å
47Q92.1Very high90.3Very high90 Ų9097.3 Ų97.342%0.42150%0.499SS..Hα-helixtrans-63.1-45.6174.9-74.9-171.6-42.200111.9Y43 H44 L49 Q50 T51Y43-Q47 HydrophobicContact CD1-CG 4.24Å; Y43-Q47 HydrophobicContact CE1-CG 3.9Å; Y43-Q47 VanDerWaalsContact CZ-NE2 3.32Å; Y43-Q47 WeakPolarHBondContact O-CG 3.29Å; Y43-Q47 PolarHBondContact O-N 3.35Å; Y43-Q47 PolarHBondContact OH-NE2 3.2Å; H44-Q47 PolarHBondContact O-N 3.49Å; Q47-L49 VanDerWaalsContact C-N 3.31Å; Q47-L49 PolarHBondContact O-N 2.82Å; Q47-Q50 PolarHBondContact O-N 3.44Å; Q47-T51 WeakPolarHBondContact O-CG2 3.37Å; Q47-T51 PolarHBondContact O-N 3Å; Q47-T51 PolarHBondContact O-OG1 2.84Å
48N90.8Very high89.6Confident79 Ų7994.8 Ų94.842%0.42249%0.492SS..Hα-helixtrans-62.3-38.9176.4-77.1-6.5000112.3H44 H45 T51 H52H44-N48 PolarHBondContact CE1-ND2 3.49Å; H44-N48 PolarHBondContact O-N 2.91Å; H45-N48 PolarHBondContact O-N 3.43Å; N48-T51 WeakPolarHBondContact CA-OG1 3.19Å; N48-T51 PolarHBondContact O-OG1 3.35Å; N48-H52 WeakPolarHBondContact O-CB 3.33Å; N48-H52 PolarHBondContact O-N 3.48Å; N48-H52 VanDerWaalsContact O-N 3.1Å
49L92.2Very high88.9Confident103 Ų10396.5 Ų96.554%0.53950%0.497SS..Hα-helixtrans-65.1-43.6175.3-170.173.3000111H45 L46 Q47 H52 I53H45-L49 WeakPolarHBondContact O-CB 3.28Å; H45-L49 PolarHBondContact O-N 3.49Å; L46-L49 PolarHBondContact O-N 3.36Å; Q47-L49 VanDerWaalsContact C-N 3.31Å; Q47-L49 PolarHBondContact O-N 2.82Å; L49-H52 PolarHBondContact O-N 2.97Å; L49-I53 HydrophobicContact CD2-CD1 4.43Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.15Å; L49-I53 PolarHBondContact O-N 3.47Å
50Q90.6Very high88.1Confident103 Ų10394.4 Ų94.448%0.48149%0.492SS..Hα-helixtrans-61.8-44.9178.3-174.863.327.300111.5L46 Q47 H52 I53 D54L46-Q50 WeakPolarHBondContact O-CB 3.46Å; L46-Q50 PolarHBondContact O-N 2.91Å; Q47-Q50 PolarHBondContact O-N 3.44Å; Q50-H52 VanDerWaalsContact C-N 3.31Å; Q50-H52 PolarHBondContact O-N 3.42Å; Q50-I53 PolarHBondContact O-N 3.27Å; Q50-D54 PolarHBondContact NE2-OD2 3.37Å; Q50-D54 PolarHBondContact O-N 3.28Å
51T90.5Very high87.3Confident84 Ų8497.5 Ų97.552%0.51549%0.493SS..Hα-helixtrans-62.5-39.2177.150.90000112.2Q47 N48 D54 E55Q47-T51 WeakPolarHBondContact O-CG2 3.37Å; Q47-T51 PolarHBondContact O-N 3Å; Q47-T51 PolarHBondContact O-OG1 2.84Å; N48-T51 WeakPolarHBondContact CA-OG1 3.19Å; N48-T51 PolarHBondContact O-OG1 3.35Å; T51-D54 PolarHBondContact O-N 2.94Å; T51-E55 WeakPolarHBondContact O-CB 3.4Å; T51-E55 PolarHBondContact O-N 3.25Å
52H85.2Confident86.3Confident108 Ų10895.7 Ų95.750%0.549%0.489SS..Hα-helixtrans-67.4-39177.2-167.7-61.8000111.9N48 L49 Q50 E55 E56N48-H52 WeakPolarHBondContact O-CB 3.33Å; N48-H52 PolarHBondContact O-N 3.48Å; N48-H52 VanDerWaalsContact O-N 3.1Å; L49-H52 PolarHBondContact O-N 2.97Å; Q50-H52 VanDerWaalsContact C-N 3.31Å; Q50-H52 PolarHBondContact O-N 3.42Å; H52-E55 PolarHBondContact O-N 2.92Å; H52-E56 IonicContact CE1-OE1 3.78Å; H52-E56 WeakPolarHBondContact O-CB 3.38Å; H52-E56 WeakPolarHBondContact O-CG 3.41Å; H52-E56 PolarHBondContact O-N 3.29Å
53I87.7Confident85.3Confident71 Ų71100.1 Ų100.136%0.36450%0.497SS..Hα-helixtrans-65.1-44.8175.5-69.4166.3000110.3L49 Q50 E55 E56 I57L49-I53 HydrophobicContact CD2-CD1 4.43Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.15Å; L49-I53 PolarHBondContact O-N 3.47Å; Q50-I53 PolarHBondContact O-N 3.27Å; I53-E55 VanDerWaalsContact C-N 3.31Å; I53-E55 PolarHBondContact O-N 3.28Å; I53-E56 PolarHBondContact O-N 3.41Å; I53-I57 HydrophobicContact CG2-CD1 3.62Å; I53-I57 HydrophobicContact CG2-CG1 4.31Å; I53-I57 WeakPolarHBondContact O-CB 3.41Å; I53-I57 VanDerWaalsContact O-CG1 3.22Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 3.31Å
54D86.9Confident84.3Confident90 Ų9095.4 Ų95.448%0.48148%0.484SS..Hα-helixtrans-64.5-36179.1-72.3-34.4000111.9Q50 T51 G58Q50-D54 PolarHBondContact NE2-OD2 3.37Å; Q50-D54 PolarHBondContact O-N 3.28Å; T51-D54 PolarHBondContact O-N 2.94Å; D54-G58 PolarHBondContact O-N 2.93Å
55E86.6Confident83.3Confident145 Ų14596.1 Ų96.168%0.67849%0.486SS*.Hα-helixtrans-67.1-45.9174.4-172.5169.9-171.600112.3T51 H52 I53 G58 N59T51-E55 WeakPolarHBondContact O-CB 3.4Å; T51-E55 PolarHBondContact O-N 3.25Å; H52-E55 PolarHBondContact O-N 2.92Å; I53-E55 VanDerWaalsContact C-N 3.31Å; I53-E55 PolarHBondContact O-N 3.28Å; E55-G58 PolarHBondContact O-N 3.22Å; E55-N59 WeakPolarHBondContact O-CB 3.49Å; E55-N59 PolarHBondContact O-N 2.97Å
56E82.7Confident82.2Confident73 Ų7394.2 Ų94.234%0.34148%0.48SS..Hα-helixtrans-63-42.9176-79-67.5168.800112.3H52 I53 G58 N59 C60H52-E56 IonicContact CE1-OE1 3.78Å; H52-E56 WeakPolarHBondContact O-CB 3.38Å; H52-E56 WeakPolarHBondContact O-CG 3.41Å; H52-E56 PolarHBondContact O-N 3.29Å; I53-E56 PolarHBondContact O-N 3.41Å; E56-G58 VanDerWaalsContact C-N 3.32Å; E56-G58 PolarHBondContact O-N 3.1Å; E56-N59 PolarHBondContact O-N 3.42Å; E56-C60 WeakPolarHBondContact O-CB 3.32Å; E56-C60 PolarHBondContact O-N 2.85Å; E56-C60 PolarHBondContact O-SG 3Å; E56-C60 VanDerWaalsContact O-SG 3.35Å
57I83.3Confident81.1Confident101 Ų10194.7 Ų94.752%0.51848%0.483SS..Hα-helixtrans-63.4-41.4174.3-68.4170.3000110I53 C60 R61I53-I57 HydrophobicContact CG2-CD1 3.62Å; I53-I57 HydrophobicContact CG2-CG1 4.31Å; I53-I57 WeakPolarHBondContact O-CB 3.41Å; I53-I57 VanDerWaalsContact O-CG1 3.22Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 3.31Å; I57-C60 PolarHBondContact O-N 3.21Å; I57-R61 WeakPolarHBondContact O-CB 3.09Å; I57-R61 PolarHBondContact O-N 3.46Å
58G79.3Confident79.7Confident39 Ų3998.3 Ų98.340%0.40249%0.493SS..Hα-helixtrans-59.8-46.417500000112.6D54 E55 E56 R61 S62D54-G58 PolarHBondContact O-N 2.93Å; E55-G58 PolarHBondContact O-N 3.22Å; E56-G58 VanDerWaalsContact C-N 3.32Å; E56-G58 PolarHBondContact O-N 3.1Å; G58-R61 WeakPolarHBondContact O-CB 3.3Å; G58-R61 PolarHBondContact O-N 3.26Å; G58-S62 PolarHBondContact O-N 3.48Å
59N77.8Confident78.5Confident83 Ų8398.4 Ų98.444%0.44449%0.493SS..Hα-helixtrans-64.5-44.8177.9-166.121.3000111.6E55 E56 R61 S62 R63E55-N59 WeakPolarHBondContact O-CB 3.49Å; E55-N59 PolarHBondContact O-N 2.97Å; E56-N59 PolarHBondContact O-N 3.42Å; N59-R61 VanDerWaalsContact C-N 3.3Å; N59-R61 PolarHBondContact O-N 3.43Å; N59-S62 PolarHBondContact O-N 3.38Å; N59-R63 WeakPolarHBondContact O-CG 3.47Å; N59-R63 PolarHBondContact O-N 2.92Å
60C75.6Confident77.1Confident77 Ų7798 Ų9852%0.5249%0.494SS..Hα-helixtrans-59.5-39.8172.8-75.30000112.3E56 I57 S64E56-C60 WeakPolarHBondContact O-CB 3.32Å; E56-C60 PolarHBondContact O-N 2.85Å; E56-C60 PolarHBondContact O-SG 3Å; E56-C60 VanDerWaalsContact O-SG 3.35Å; I57-C60 PolarHBondContact O-N 3.21Å; C60-S64 WeakPolarHBondContact O-CB 3.43Å; C60-S64 PolarHBondContact O-N 2.89Å; C60-S64 PolarHBondContact O-OG 3.48Å
61R77.3Confident76Confident144 Ų14496.4 Ų96.454%0.54349%0.492SS..Hα-helixtrans-67.2-37.4177-162.5-179.4-160.5178.29.2112.2I57 G58 N59 S64 K65 F92I57-R61 WeakPolarHBondContact O-CB 3.09Å; I57-R61 PolarHBondContact O-N 3.46Å; G58-R61 WeakPolarHBondContact O-CB 3.3Å; G58-R61 PolarHBondContact O-N 3.26Å; N59-R61 VanDerWaalsContact C-N 3.3Å; N59-R61 PolarHBondContact O-N 3.43Å; R61-S64 WeakPolarHBondContact CA-OG 3.35Å; R61-S64 PolarHBondContact O-OG 2.63Å; R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 PolarHBondContact O-N 2.6Å; R61-K65 VanDerWaalsContact O-N 3.1Å; R61-F92 HydrophobicContact CG-CD1 3.94Å; R61-F92 HydrophobicContact CG-CE1 3.69Å
62S71.6Confident74.8Confident61 Ų6195.9 Ų95.943%0.42750%0.496SS..Hα-helixtrans-67.6-50.8174.9-162.80000111.2G58 N59 S64 K65 D66G58-S62 PolarHBondContact O-N 3.48Å; N59-S62 PolarHBondContact O-N 3.38Å; S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.46Å; S62-K65 WeakPolarHBondContact O-CA 3.41Å; S62-K65 WeakPolarHBondContact O-CB 2.87Å; S62-K65 PolarHBondContact O-N 3.3Å; S62-D66 PolarHBondContact O-N 3.3Å
63R73Confident73.8Confident177 Ų17797 Ų9767%0.66851%0.506SS*.Hα-helixtrans-60.7-39.3-179.3-68.3178.899.8176.18.3112.3N59 L67N59-R63 WeakPolarHBondContact O-CG 3.47Å; N59-R63 PolarHBondContact O-N 2.92Å; R63-L67 WeakPolarHBondContact O-CB 3.32Å; R63-L67 PolarHBondContact O-N 3.01Å
64S71.2Confident72.3Confident43 Ų4398.9 Ų98.930%0.30152%0.516SS..Hα-helixtrans-65.8-41.2173.854.20000112C60 R61 S62 L67 W68C60-S64 WeakPolarHBondContact O-CB 3.43Å; C60-S64 PolarHBondContact O-N 2.89Å; C60-S64 PolarHBondContact O-OG 3.48Å; R61-S64 WeakPolarHBondContact CA-OG 3.35Å; R61-S64 PolarHBondContact O-OG 2.63Å; S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.46Å; S64-L67 PolarHBondContact O-N 3.28Å; S64-W68 WeakPolarHBondContact O-CB 3.5Å; S64-W68 PolarHBondContact O-N 2.92Å
65K71.1Confident70.8Confident115 Ų115100.2 Ų100.250%0.553%0.529SS..Hα-helixtrans-62.1-43.2175.6-170.9-178.3177.9-173.60112.2R61 S62 W68 L69 F92R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 PolarHBondContact O-N 2.6Å; R61-K65 VanDerWaalsContact O-N 3.1Å; S62-K65 WeakPolarHBondContact O-CA 3.41Å; S62-K65 WeakPolarHBondContact O-CB 2.87Å; S62-K65 PolarHBondContact O-N 3.3Å; K65-W68 PolarHBondContact O-N 2.89Å; K65-L69 HydrophobicContact CG-CD1 4.27Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.19Å; K65-F92 HydrophobicContact CB-CZ 4.36Å; K65-F92 HydrophobicContact CG-CZ 4.44Å
66D68.4Low69.4Low87 Ų87101.4 Ų101.447%0.46554%0.535SS..Hα-helixtrans-67.4-40179.4-64.3-29.9000111.6S62 L69 T70S62-D66 PolarHBondContact O-N 3.3Å; D66-L69 PolarHBondContact O-N 2.56Å; D66-T70 PolarHBondContact O-N 3.24Å; D66-T70 PolarHBondContact O-OG1 2.89Å
67L69.1Low67.6Low116 Ų116104.9 Ų104.961%0.60756%0.556SS**Hα-helixtrans-61.4-46.2173.6-173.171.4000111R63 S64 T70 V71R63-L67 WeakPolarHBondContact O-CB 3.32Å; R63-L67 PolarHBondContact O-N 3.01Å; S64-L67 PolarHBondContact O-N 3.28Å; L67-T70 WeakPolarHBondContact O-CB 3.34Å; L67-T70 PolarHBondContact O-N 3.37Å; L67-V71 WeakPolarHBondContact O-CG2 3.22Å; L67-V71 PolarHBondContact O-N 3.44Å
68W62.9Low65.6Low166 Ų166110.7 Ų110.763%0.62957%0.571SS**Hα-helixtrans-65.9-39.3178.2-84.1111.8000113.1S64 K65 T70 V71 A72S64-W68 WeakPolarHBondContact O-CB 3.5Å; S64-W68 PolarHBondContact O-N 2.92Å; K65-W68 PolarHBondContact O-N 2.89Å; W68-T70 VanDerWaalsContact C-N 3.26Å; W68-T70 PolarHBondContact O-N 3.39Å; W68-V71 PolarHBondContact O-N 3.06Å; W68-A72 VanDerWaalsContact O-CB 3.29Å; W68-A72 WeakPolarHBondContact O-CB 3.34Å; W68-A72 PolarHBondContact O-N 3.46Å
69L64.8Low63.9Low81 Ų81117.7 Ų117.742%0.42459%0.593SS.*Hα-helixtrans-63.2-35.2173.4-75.6168.8000111.5K65 D66 N73K65-L69 HydrophobicContact CG-CD1 4.27Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.19Å; D66-L69 PolarHBondContact O-N 2.56Å; L69-N73 WeakPolarHBondContact O-CB 3.36Å; L69-N73 VanDerWaalsContact O-CG 3.29Å; L69-N73 PolarHBondContact O-N 3.26Å; L69-N73 VanDerWaalsContact O-N 3.14Å; L69-N73 PolarHBondContact O-ND2 3.45Å
70T63.9Low62.2Low93 Ų93118.4 Ų118.457%0.57161%0.611SS**Hα-helixtrans-67.2-45.2174.6-52.40000110.9D66 L67 W68 N73 L74D66-T70 PolarHBondContact O-N 3.24Å; D66-T70 PolarHBondContact O-OG1 2.89Å; L67-T70 WeakPolarHBondContact O-CB 3.34Å; L67-T70 PolarHBondContact O-N 3.37Å; W68-T70 VanDerWaalsContact C-N 3.26Å; W68-T70 PolarHBondContact O-N 3.39Å; T70-N73 PolarHBondContact O-N 2.64Å; T70-L74 PolarHBondContact O-N 2.99Å
71V66.4Low60.3Low71 Ų71119.6 Ų119.643%0.4362%0.62SS.*Hα-helixtrans-64.9-40.4177.2173.70000112L67 W68 N73 L74L67-V71 WeakPolarHBondContact O-CG2 3.22Å; L67-V71 PolarHBondContact O-N 3.44Å; W68-V71 PolarHBondContact O-N 3.06Å; V71-N73 VanDerWaalsContact C-N 3.3Å; V71-N73 PolarHBondContact O-N 3.41Å; V71-L74 HydrophobicContact CG1-CD1 4.46Å; V71-L74 WeakPolarHBondContact O-CB 3.29Å; V71-L74 PolarHBondContact O-N 2.92Å
72A66Low58.3Low73 Ų73118.1 Ų118.160%0.60363%0.629SS**Hα-helixtrans-69.3-26.5179.100000113.3W68W68-A72 VanDerWaalsContact O-CB 3.29Å; W68-A72 WeakPolarHBondContact O-CB 3.34Å; W68-A72 PolarHBondContact O-N 3.46Å
73N64.1Low56.7Low131 Ų131122.7 Ų122.770%0.70164%0.644SS**THydrogen-bonded Turntrans-90.50.6176.7-72.6-42.4000113.4L69 T70 V71L69-N73 WeakPolarHBondContact O-CB 3.36Å; L69-N73 VanDerWaalsContact O-CG 3.29Å; L69-N73 PolarHBondContact O-N 3.26Å; L69-N73 VanDerWaalsContact O-N 3.14Å; L69-N73 PolarHBondContact O-ND2 3.45Å; T70-N73 PolarHBondContact O-N 2.64Å; V71-N73 VanDerWaalsContact C-N 3.3Å; V71-N73 PolarHBondContact O-N 3.41Å
74L56.3Low55Low110 Ų110122.3 Ų122.358%0.57665%0.654SS**SBendtrans-61.7130.2172.4-76.7164.2000108.8T70 V71 E76T70-L74 PolarHBondContact O-N 2.99Å; V71-L74 HydrophobicContact CG1-CD1 4.46Å; V71-L74 WeakPolarHBondContact O-CB 3.29Å; V71-L74 PolarHBondContact O-N 2.92Å; L74-E76 PolarHBondContact O-N 3.31Å
75P55Low53.3Low118 Ų118131.7 Ų131.777%0.76668%0.682SS**  trans-60109.4178.622.9-30.9000108.7N77P75-N77 PolarHBondContact O-N 3.43Å
76E58Low51.8Low171 Ų171135.5 Ų135.580%0.79970%0.702SS**  trans-54105.9177.6-168.3175.4165.200108.2L74 R78L74-E76 PolarHBondContact O-N 3.31Å; E76-R78 PolarHBondContact O-N 2.83Å
77N44Very low50.3Low145 Ų145135.4 Ų135.478%0.77570%0.697SS**  trans-65.194.8174.7-161.76.6000106.4P75 Q79P75-N77 PolarHBondContact O-N 3.43Å; N77-Q79 VanDerWaalsContact C-N 3.32Å; N77-Q79 PolarHBondContact O-N 3.39Å
78R42.1Very low48.8Very low224 Ų224138.2 Ų138.285%0.84570%0.7SS**SBendtrans-56.887.6-175.9-69.9-174.1-166.6-175.13.8110.2E76E76-R78 PolarHBondContact O-N 2.83Å
79Q42.5Very low48.1Very low185 Ų185134.9 Ų134.986%0.86469%0.692SS**  trans-162.77.8167.8-111159.357.200115.2N77N77-Q79 VanDerWaalsContact C-N 3.32Å; N77-Q79 PolarHBondContact O-N 3.39Å
80A41.9Very low46.9Very low99 Ų99139.6 Ų139.682%0.81870%0.704SS**SBendtrans-97.9117.4176.500000112.1
81S36.1Very low45.9Very low101 Ų101137.8 Ų137.871%0.70669%0.691SS**  trans-29.9141-178.2-152.70000119H83S81-H83 VanDerWaalsContact C-N 3.34Å; S81-H83 PolarHBondContact O-N 2.86Å; S81-H83 VanDerWaalsContact O-N 3.12Å
82P36.7Very low45Very low113 Ų113139 Ų13973%0.73469%0.69SS**SBendtrans-89.249.4-174.739.6-36.5000112.6
83H38.1Very low44.1Very low158 Ų158138.1 Ų138.173%0.73169%0.688SS**SBendtrans-153.9127.8170.5-75.8-67.8000109S81S81-H83 VanDerWaalsContact C-N 3.34Å; S81-H83 PolarHBondContact O-N 2.86Å; S81-H83 VanDerWaalsContact O-N 3.12Å
84L35.7Very low43.2Very low168 Ų168139.5 Ų139.588%0.8869%0.688SS**  trans83.987.1-174.2-69.382.2000116.4
85R36.3Very low42.7Very low240 Ų240141.8 Ų141.891%0.90669%0.689SS**  -17592.7114.6-107.4173.7168.7158.5-2.7109.3K87R85-K87 PolarHBondContact O-N 2.78Å
86E38.9Very low42.5Very low196 Ų196139 Ų13992%0.91667%0.667SS**  trans-56.7108.6157.8-141.2172-171.200107.1R88E86-R88 PolarHBondContact O-N 3.46Å
87K36.8Very low41.8Very low84 Ų84135.2 Ų135.237%0.36565%0.652SS.*  trans-58.8119.9-167.8-127.2173.5173.6178.90110.7R85 E89 A98R85-K87 PolarHBondContact O-N 2.78Å; K87-E89 WeakPolarHBondContact CE-OE1 3.3Å; K87-E89 HydrophobicContact CG-CG 4.25Å; K87-A98 HydrophobicContact CB-CB 3.36Å; K87-A98 HydrophobicContact CD-CB 3.89Å; K87-A98 HydrophobicContact CG-CB 4.3Å
88R37.8Very low42.1Very low175 Ų175130.2 Ų130.266%0.6663%0.631SS**EExtended strand (participates in β ladder)trans-130.394156-70.7-167.5-179.8-1580.5107.6E86 W95E86-R88 PolarHBondContact O-N 3.46Å; R88-W95 HydrophobicContact CB-CE3 3.81Å; R88-W95 HydrophobicContact CB-CZ3 3.71Å; R88-W95 HydrophobicContact CG-CE3 4.4Å
89E48.9Very low42.7Very low97 Ų97127.7 Ų127.745%0.45363%0.629SS.*EExtended strand (participates in β ladder)trans-92.6128.5178.5-73.4172.2-173.300109K87 L91K87-E89 WeakPolarHBondContact CE-OE1 3.3Å; K87-E89 HydrophobicContact CG-CG 4.25Å; E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 HydrophobicContact CB-CD1 4.17Å; E89-L91 PolarHBondContact O-N 3.18Å
90W40.3Very low43.2Very low179 Ų179125.9 Ų125.968%0.67862%0.62SS**EExtended strand (participates in β ladder)trans-78.882.4-178.4-141.286.6000108.8W95W90-W95 AromaticContact CD1-CH2 3.7Å; W90-W95 AromaticContact CD1-CZ2 3.74Å; W90-W95 AromaticContact CD1-CZ3 3.99Å; W90-W95 AromaticContact NE1-CE2 3.97Å; W90-W95 AromaticContact NE1-CZ2 3.71Å
91L42.7Very low43.5Very low56 Ų56123.8 Ų123.829%0.29360%0.597SS.*EExtended strand (participates in β ladder)trans-97.1114.9179-90.8145.4000109.5E89 G93 K94 I96E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 HydrophobicContact CB-CD1 4.17Å; E89-L91 PolarHBondContact O-N 3.18Å; L91-G93 VanDerWaalsContact C-N 3.29Å; L91-G93 PolarHBondContact O-N 3.47Å; L91-G93 VanDerWaalsContact O-N 3.11Å; L91-K94 PolarHBondContact O-N 2.87Å; L91-K94 VanDerWaalsContact O-N 3.14Å; L91-K94 VanDerWaalsContact O-O 3.08Å; L91-I96 HydrophobicContact CB-CD1 4.07Å
92F46.6Very low43.9Very low97 Ų97125.2 Ų125.243%0.42560%0.602SS.*THydrogen-bonded Turntrans55.434.4166.4-52.3-70.7000115.9R61 K65 K94R61-F92 HydrophobicContact CG-CD1 3.94Å; R61-F92 HydrophobicContact CG-CE1 3.69Å; K65-F92 HydrophobicContact CB-CZ 4.36Å; K65-F92 HydrophobicContact CG-CZ 4.44Å; F92-K94 VanDerWaalsContact C-N 3.34Å; F92-K94 PolarHBondContact O-N 2.96Å
93G47.3Very low44.3Very low54 Ų54127 Ų12756%0.55760%0.599SS**THydrogen-bonded Turntrans75.216.3177.300000115.1L91L91-G93 VanDerWaalsContact C-N 3.29Å; L91-G93 PolarHBondContact O-N 3.47Å; L91-G93 VanDerWaalsContact O-N 3.11Å
94K45.7Very low44.5Very low160 Ų160124.9 Ų124.970%0.69660%0.599SS**EExtended strand (participates in β ladder)trans-134.6136.5173.5-146.6179-176.4-172.80110.2L91 F92 I96L91-K94 PolarHBondContact O-N 2.87Å; L91-K94 VanDerWaalsContact O-N 3.14Å; L91-K94 VanDerWaalsContact O-O 3.08Å; F92-K94 VanDerWaalsContact C-N 3.34Å; F92-K94 PolarHBondContact O-N 2.96Å; K94-I96 PolarHBondContact O-N 3.09Å
95W46Very low44.5Very low158 Ų158123.7 Ų123.760%0.59860%0.599SS**EExtended strand (participates in β ladder)trans-74.5122.2172.7-63.196.3000108.9R88 W90R88-W95 HydrophobicContact CB-CE3 3.81Å; R88-W95 HydrophobicContact CB-CZ3 3.71Å; R88-W95 HydrophobicContact CG-CE3 4.4Å; W90-W95 AromaticContact CD1-CH2 3.7Å; W90-W95 AromaticContact CD1-CZ2 3.74Å; W90-W95 AromaticContact CD1-CZ3 3.99Å; W90-W95 AromaticContact NE1-CE2 3.97Å; W90-W95 AromaticContact NE1-CZ2 3.71Å
96I50Low44.7Very low59 Ų59120.8 Ų120.830%0.30360%0.597SS.*EExtended strand (participates in β ladder)trans-117.1132.5175.3-39179.3000107.5L91 K94 E100L91-I96 HydrophobicContact CB-CD1 4.07Å; K94-I96 PolarHBondContact O-N 3.09Å; I96-E100 HydrophobicContact CG2-CB 3.98Å; I96-E100 WeakPolarHBondContact CG2-OE2 3.43Å
97N43Very low44.7Very low91 Ų91116.5 Ų116.549%0.48759%0.589SS.*EExtended strand (participates in β ladder)trans-73.9149.3177.7-68.1-44.2000110.1E99 E100N97-E99 PolarHBondContact O-N 2.92Å; N97-E100 PolarHBondContact O-N 3.4Å
98A50.4Low44.6Very low41 Ų41116.6 Ų116.634%0.33961%0.614SS.*G310 helixtrans-50.6-25.8-178.800000114.9K87K87-A98 HydrophobicContact CB-CB 3.36Å; K87-A98 HydrophobicContact CD-CB 3.89Å; K87-A98 HydrophobicContact CG-CB 4.3Å
99E55Low44.4Very low171 Ų171112 Ų11280%0.79962%0.621SS**G310 helixtrans-82.3-16.2-170.8-63.3164.816200113.5N97 V101N97-E99 PolarHBondContact O-N 2.92Å; E99-V101 VanDerWaalsContact C-N 3.31Å
100E53.3Low43.5Very low146 Ų146112.6 Ų112.668%0.68264%0.636SS**G310 helixtrans-85.5-4.1176.3-76.6-177.2153.300113I96 N97 T102I96-E100 HydrophobicContact CG2-CB 3.98Å; I96-E100 WeakPolarHBondContact CG2-OE2 3.43Å; N97-E100 PolarHBondContact O-N 3.4Å; E100-T102 PolarHBondContact O-N 3.31Å
101V47.7Very low43.4Very low55 Ų55109 Ų10933%0.33363%0.633SS.*  trans-94.573.8178.8-1660000109.8E99 F103E99-V101 VanDerWaalsContact C-N 3.31Å; V101-F103 HydrophobicContact CG1-CD2 3.76Å; V101-F103 HydrophobicContact CG1-CE1 4.48Å; V101-F103 HydrophobicContact CG1-CE2 3.19Å; V101-F103 HydrophobicContact CG1-CZ 3.61Å; V101-F103 PolarHBondContact O-N 3.47Å
102T44.4Very low43Very low132 Ų132114.3 Ų114.381%0.8166%0.657SS**  trans-89.2100.3169.929.80000109.7E100E100-T102 PolarHBondContact O-N 3.31Å
103F45.4Very low42.2Very low150 Ų150117.3 Ų117.366%0.65868%0.677SS**  trans-78.6141.7167.8-68-76.5000110.1V101 T105V101-F103 HydrophobicContact CG1-CD2 3.76Å; V101-F103 HydrophobicContact CG1-CE1 4.48Å; V101-F103 HydrophobicContact CG1-CE2 3.19Å; V101-F103 HydrophobicContact CG1-CZ 3.61Å; V101-F103 PolarHBondContact O-N 3.47Å; F103-T105 PolarHBondContact O-N 3.22Å
104P41.6Very low41.8Very low114 Ų114121.3 Ų121.374%0.7469%0.685SS**  trans-68.3115174.826.3-31.1000110.5M106P104-M106 PolarHBondContact O-N 3.32Å
105T36.9Very low41.1Very low143 Ų143120.3 Ų120.388%0.87769%0.692SS**  trans-6893.2171.2-42.70000109.6F103 S107F103-T105 PolarHBondContact O-N 3.22Å; T105-S107 PolarHBondContact O-N 3.42Å
106M39.9Very low40.8Very low178 Ų178120.1 Ų120.188%0.87770%0.702SS**  trans-81.2102.3168-83.3-81.2174.100109.1P104P104-M106 PolarHBondContact O-N 3.32Å
107S39.1Very low40.1Very low107 Ų107120.9 Ų120.975%0.74872%0.717SS**  trans-63.9133.917251.90000112.5T105T105-S107 PolarHBondContact O-N 3.42Å
108G35.1Very low39.7Very low85 Ų85124.7 Ų124.788%0.87674%0.737SS**  trans70.591.4145.700000116.8
109G33.1Very low39Very low78 Ų78129 Ų12980%0.80476%0.755SS**  trans-160.492.1168.100000110.8
110S30.8Very low38.2Very low111 Ų111125.5 Ų125.578%0.77676%0.755SS**  trans-51.6155.1166.3173.50000110.8
111V37.6Very low37.6Very low103 Ų103122.4 Ų122.462%0.62475%0.746SS**  trans140.1116.8131.6176.80000113.8
112Q35Very low37.2Very low168 Ų168124.9 Ų124.979%0.78576%0.762SS**  trans86.4103.2145-74158.425.600121.1I114Q112-I114 PolarHBondContact O-N 2.95Å
113N30Very low37Very low160 Ų160128.6 Ų128.686%0.85676%0.762SS**  trans-42.7113.9146.1-74.7-15000110.8
114I37.1Very low36.8Very low138 Ų138127.2 Ų127.271%0.70876%0.762SS**  trans-101.396.9162.7-60.9175.8000105.9Q112 L116Q112-I114 PolarHBondContact O-N 2.95Å; I114-L116 HydrophobicContact CG2-CB 4.14Å; I114-L116 HydrophobicContact CG2-CD1 3.6Å; I114-L116 HydrophobicContact CG2-CG 4.09Å; I114-L116 PolarHBondContact O-N 2.94Å
115T31Very low36.8Very low139 Ų139127.8 Ų127.885%0.85377%0.767SS**  trans-7499.1161.7470000107.2
116L39.6Very low37.2Very low153 Ų153125.8 Ų125.880%0.80176%0.758SS**  trans-113.8122.5170.4-111.2155000108.9I114I114-L116 HydrophobicContact CG2-CB 4.14Å; I114-L116 HydrophobicContact CG2-CD1 3.6Å; I114-L116 HydrophobicContact CG2-CG 4.09Å; I114-L116 PolarHBondContact O-N 2.94Å
117A36.1Very low37.4Very low76 Ų76123.1 Ų123.163%0.62875%0.752SS**  trans-45.1143.1-17300000115.8D119A117-D119 PolarHBondContact O-N 3.42Å
118D35.3Very low38Very low170 Ų170120.8 Ų120.891%0.90974%0.735SS**  trans20.377.6135.6-59.5-37.6000115.7
119D35.9Very low38.8Very low131 Ų131124.9 Ų124.970%0.70173%0.731SS**  trans-126.7107.7146.8-151.7-4.6000107A117 T121A117-D119 PolarHBondContact O-N 3.42Å; D119-T121 PolarHBondContact O-N 2.93Å
120A36.9Very low39.7Very low98 Ų98128.3 Ų128.381%0.8173%0.726SS**  trans-7064.9175.600000109.3T122A120-T122 VanDerWaalsContact C-N 3.33Å; A120-T122 PolarHBondContact O-N 3.49Å
121T40.4Very low40.7Very low81 Ų81123.3 Ų123.350%0.49769%0.692SS.*  trans-98.571.9163.250.90000106.9D119 Y123D119-T121 PolarHBondContact O-N 2.93Å; T121-Y123 WeakPolarHBondContact O-CD2 3.37Å; T121-Y123 PolarHBondContact O-N 3.46Å
122T39.9Very low41.4Very low108 Ų108122.4 Ų122.466%0.66369%0.689SS**  trans-49.7101.8150.1-53.60000105.2A120 D124A120-T122 VanDerWaalsContact C-N 3.33Å; A120-T122 PolarHBondContact O-N 3.49Å; T122-D124 HydrophobicContact CG2-CB 4.41Å; T122-D124 PolarHBondContact O-N 3.49Å
123Y40.8Very low42.4Very low209 Ų209118.7 Ų118.782%0.8268%0.679SS**  trans-67.473.7162.8-79.5-90.3000106.1T121 C125T121-Y123 WeakPolarHBondContact O-CD2 3.37Å; T121-Y123 PolarHBondContact O-N 3.46Å; Y123-C125 PolarHBondContact O-N 2.95Å
124D39.9Very low43.4Very low122 Ų122111.2 Ų111.265%0.65264%0.64SS**  trans-59.398.2161.6-102.3-25.8000104.8T122 C126T122-D124 HydrophobicContact CG2-CB 4.41Å; T122-D124 PolarHBondContact O-N 3.49Å; D124-C126 PolarHBondContact O-N 2.85Å
125C42.4Very low44.2Very low125 Ų125108.2 Ų108.285%0.84563%0.629SS**  trans-49.5114.8165-143.90000105.8Y123 T127Y123-C125 PolarHBondContact O-N 2.95Å; C125-T127 PolarHBondContact O-N 2.9Å
126C46.5Very low45.5Very low101 Ų101104 Ų10468%0.68260%0.604SS**  trans-36.9121.4-163.1-56.70000112.8D124 C128D124-C126 PolarHBondContact O-N 2.85Å; C126-C128 HydrophobicContact CB-CB 4.3Å; C126-C128 WeakPolarHBondContact CB-SG 3.49Å; C126-C128 PolarHBondContact O-N 2.95Å
127T43.7Very low45.7Very low122 Ų12296.8 Ų96.875%0.74857%0.567SS**  trans-66.668.2161.250.40000109C125 H129C125-T127 PolarHBondContact O-N 2.9Å; T127-H129 PolarHBondContact O-N 3.48Å
128C51.3Low46.4Very low58 Ų5897.3 Ų97.339%0.39256%0.564SS.*  trans-80.348.8-174.7-84.80000112.7C126 Q130C126-C128 HydrophobicContact CB-CB 4.3Å; C126-C128 WeakPolarHBondContact CB-SG 3.49Å; C126-C128 PolarHBondContact O-N 2.95Å; C128-Q130 PolarHBondContact O-N 3.03Å
129H52.2Low47.3Very low172 Ų17291.3 Ų91.380%0.79654%0.538SS*.SBendtrans-74.3-13.3174.9-80.8-65.6000113.4T127T127-H129 PolarHBondContact O-N 3.48Å
130Q50.8Low47.7Very low149 Ų14985.3 Ų85.370%0.69651%0.507SS*.SBendtrans-140.7124179.1-66.2176.54200110C128 P306C128-Q130 PolarHBondContact O-N 3.03Å; Q130-P306 HydrophobicContact CB-CB 4.4Å
131G52.7Low48.4Very low7 Ų788.7 Ų88.77%0.07251%0.506CS..PPolyproline II helixtrans-70.2169.5169.900000111.4P306 G307G131-P306 WeakPolarHBondContact O-CB 3.47Å; G131-G307 WeakPolarHBondContact CA-O 3.4Å; G131-G307 PolarHBondContact N-O 3.44Å
132P52.1Low49Very low84 Ų8487.1 Ų87.155%0.54550%0.495SS..PPolyproline II helixtrans-58.1147.1179.324.5-33.2000111.4G134 G307P132-G134 PolarHBondContact O-N 3.43Å; P132-G307 PolarHBondContact O-N 3.14Å
133P56.7Low49.3Very low90 Ų9082.1 Ų82.158%0.58447%0.465SS*.BIsolated β-bridgetrans-50.7135.6169.1-25.934.5000111.3
134G49.8Very low49.9Very low3 Ų376.6 Ų76.63%0.03145%0.454CS..PPolyproline II helixtrans-59.4155.9174.200000111.9P132 G180 G304 S305P132-G134 PolarHBondContact O-N 3.43Å; G134-G180 WeakPolarHBondContact CA-O 3.33Å; G134-G304 PolarHBondContact O-N 3.18Å; G134-S305 PolarHBondContact N-O 3.44Å
135P53.8Low50.5Low74 Ų7475.8 Ų75.848%0.48145%0.45SS..PPolyproline II helixtrans-57.1145.6178.125.9-34.3000110.5G137 G183P135-G137 PolarHBondContact O-N 3.31Å; P135-G183 PolarHBondContact O-N 2.93Å
136P58.4Low50.9Low50 Ų5070 Ų7033%0.32541%0.412SS..PPolyproline II helixtrans-62.4141.7175.3-1.46.5000111R300P136-R300 HydrophobicContact CB-CG 4.38Å; P136-R300 VanDerWaalsContact CG-NH2 3.35Å; P136-R300 PolarHBondContact O-NE 2.88Å; P136-R300 PolarHBondContact O-NH2 3.43Å
137G45.1Very low51.2Low2 Ų270.8 Ų70.82%0.02141%0.409CS..PPolyproline II helixtrans-57.8166.8-173.700000113.4P135 G183 R300 P302P135-G137 PolarHBondContact O-N 3.31Å; G137-G183 WeakPolarHBondContact CA-O 3.34Å; G137-R300 WeakPolarHBondContact O-CG 3.24Å; G137-R300 PolarHBondContact O-NE 3.3Å; G137-P302 PolarHBondContact N-O 3.45Å
138P50.8Low51.5Low87 Ų8769.5 Ų69.557%0.56540%0.397SS*.PPolyproline II helixtrans-58.8154.9175.126.6-33.8000111G186P138-G186 PolarHBondContact O-N 2.99Å
139A53.9Low51.3Low44 Ų4468.7 Ų68.736%0.36440%0.399SS..BIsolated β-bridgetrans-57.5142.2169.700000109.8Q297A139-Q297 HydrophobicContact CB-CG 4.39Å
140G44.5Very low51.1Low6 Ų666.8 Ų66.86%0.06240%0.4CS..PPolyproline II helixtrans-59.3150.2172.700000111G186 V299G140-G186 WeakPolarHBondContact CA-O 3.45Å; G140-V299 PolarHBondContact N-O 3.39Å
141E51.9Low51.1Low169 Ų16964.7 Ų64.779%0.7940%0.399SS*.PPolyproline II helixtrans-58.8150.8173.6-63-178.1141.200110.4A188 G189E141-A188 WeakPolarHBondContact O-CA 3.25Å; E141-G189 PolarHBondContact O-N 2.98Å
142D52.4Low50.5Low48 Ų4865 Ų6526%0.25740%0.402SS..PPolyproline II helixtrans-64.8141.4-179.8-70.79.8000110.2R294 Q297D142-R294 IonicContact OD2-CZ 2.89Å; D142-R294 IonicContact OD2-NE 2.63Å; D142-R294 PolarHBondContact OD2-NE 2.83Å; D142-R294 IonicContact OD2-NH2 2.6Å; D142-R294 PolarHBondContact OD2-NH2 3.47Å; D142-Q297 WeakPolarHBondContact OD1-CA 3.01Å
143G46.8Very low50.2Low3 Ų369.3 Ų69.33%0.03142%0.415CS..PPolyproline II helixtrans-56.7142.4177.300000110.5G189G143-G189 WeakPolarHBondContact CA-O 3.43Å
144P52Low49.3Very low93 Ų9371.9 Ų71.960%0.60442%0.424SS*.PPolyproline II helixtrans-56.1151.7178.823.4-33000110.9K191P144-K191 WeakPolarHBondContact O-CG 3.41Å
145D54.1Low48.7Very low104 Ų10474.7 Ų74.756%0.55645%0.452SS*.PPolyproline II helixtrans-57.9145.1178.7-64.5-36000111.1K191D145-K191 WeakPolarHBondContact O-CE 3.44Å
146G49.7Very low48.1Very low4 Ų479.9 Ų79.94%0.04148%0.475CS..PPolyproline II helixtrans-46.8141171.800000111.5D148 K191 G192G146-D148 PolarHBondContact O-N 3.4Å; G146-K191 VanDerWaalsContact CA-CE 3.42Å; G146-G192 WeakPolarHBondContact CA-O 3.29Å
147N52.1Low47.2Very low118 Ų11883.3 Ų83.363%0.63150%0.498SS*.PPolyproline II helixtrans-60.5128172.6-60-11.7000108.2K191N147-K191 WeakPolarHBondContact OD1-CE 3.23Å; N147-K191 PolarHBondContact OD1-NZ 3.36Å
148D50Low46.7Very low94 Ų9487.1 Ų87.150%0.50354%0.536SS..PPolyproline II helixtrans-58.4140.6173.8-65.7-38000110.6G146G146-D148 PolarHBondContact O-N 3.4Å
149G47.5Very low46.1Very low42 Ų4293.3 Ų93.343%0.43355%0.554SS.*PPolyproline II helixtrans-61.3147.2165.600000110.2
150T48.8Very low45.4Very low131 Ų13196.2 Ų96.280%0.80458%0.579SS**SBendtrans-51.1143.9-174.650.40000113.5
151P49.6Very low45Very low106 Ų10699.6 Ų99.669%0.68861%0.613SS**PPolyproline II helixtrans-70.7151.4-155.5-19.133.1000116.3
152G41.2Very low44.2Very low12 Ų1299.7 Ų99.712%0.12461%0.614CS.*PPolyproline II helixtrans-96.8147.1134.700000107.9Q288G152-Q288 WeakPolarHBondContact O-CB 3.23Å
153E46.3Very low43.3Very low175 Ų175103.7 Ų103.782%0.81863%0.634SS**PPolyproline II helixtrans-68.2156.1-167.8-131.5177.5126.900114.8
154N36Very low43Very low145 Ų145111 Ų11178%0.77567%0.672SS**PPolyproline II helixtrans-62.3137.9-149.3-54.3-36.7000118.5
155G37.8Very low42.5Very low61 Ų61114 Ų11463%0.62968%0.678SS**  trans-144.4125154.300000110.5P157G155-P157 WeakPolarHBondContact O-CD 3.32Å
156L41.8Very low42.1Very low183 Ų183115.2 Ų115.296%0.95869%0.691SS**  trans-91.2126.7175.3-69.7171.6000110.2
157P38.8Very low42.1Very low123 Ų123124.2 Ų124.280%0.79973%0.732SS**  trans-134.3131158.317.45.6000114.7G155G155-P157 WeakPolarHBondContact O-CD 3.32Å
158G35.2Very low42Very low81 Ų81121.8 Ų121.884%0.83574%0.735SS**  trans63.1117.6133.100000120
159K38.8Very low41.8Very low217 Ų217123.4 Ų123.494%0.94375%0.75SS**  trans-115.3131.6158.3-75.5-159176.4-168.90111.3
160A38Very low42.1Very low106 Ų106127.4 Ų127.488%0.87677%0.769SS**  trans-149.9122.6152.500000106.4
161G35.6Very low42Very low76 Ų76125.7 Ų125.778%0.78477%0.768SS**  105144.191.100000108
162Q36.6Very low41.8Very low172 Ų172129.4 Ų129.480%0.80478%0.776SS**  cis-163.8152.36.6-91.917716.500108.3
163I32.8Very low42.4Very low131 Ų131133 Ų13367%0.67280%0.797SS**  trans48.7131.3139.2-47.8159.7000119.4
164L41.5Very low42.4Very low158 Ų158130.1 Ų130.183%0.82780%0.795SS**  -166.1147.3128.4-93.2162.4000110
165E40.5Very low43.3Very low156 Ų156131.4 Ų131.473%0.72980%0.796SS**PPolyproline II helixtrans-79.9160.3-148.6-64.9148.6124.300116.1
166P45.9Very low44.4Very low128 Ų128134.4 Ų134.483%0.83180%0.796SS**PPolyproline II helixtrans-82.2142.517632.5-30.4000112.6
167E49.7Very low45Very low194 Ų194126.9 Ų126.991%0.90776%0.759SS**PPolyproline II helixtrans-62.3152.6-176.6-62.9162.6118.900113.4
168G48.9Very low46Very low67 Ų67126.9 Ų126.969%0.69175%0.752SS**PPolyproline II helixtrans-64.4170.6-170.900000116.4
169P47.7Very low47.2Very low128 Ų128126.3 Ų126.383%0.83173%0.733SS**PPolyproline II helixtrans-71.5141.6-169.128.8-33.4000112.2
170P53.2Low48.5Very low126 Ų126116.4 Ų116.482%0.81869%0.692SS**PPolyproline II helixtrans-71.8145.2-179.528.3-32.4000112.1
171A45.7Very low50Low95 Ų95115 Ų11579%0.78568%0.676SS**PPolyproline II helixtrans-61.2141.4177.400000112.4P173A171-P173 WeakPolarHBondContact O-CD 3.41Å
172E45.4Very low51.7Low184 Ų184115.8 Ų115.886%0.8667%0.667SS**PPolyproline II helixtrans-59.7121.7-178.1-70.3-173.8127.500112.7
173P54.8Low53.3Low87 Ų87107.9 Ų107.957%0.56563%0.632SS**PPolyproline II helixtrans-77.1150.4171.6-9.926.2000111.6A171 Q175 P179A171-P173 WeakPolarHBondContact O-CD 3.41Å; P173-Q175 PolarHBondContact O-N 3.07Å; P173-Q175 VanDerWaalsContact O-N 3.13Å; P173-P179 HydrophobicContact CB-CG 3.94Å; P173-P179 HydrophobicContact CG-CG 4.14Å
174C45.1Very low55.2Low114 Ų114105.8 Ų105.877%0.7763%0.627SS**PPolyproline II helixtrans-53.1117.6172.5-620000111.5I176C174-I176 PolarHBondContact O-N 2.92Å
175Q55.1Low56.6Low173 Ų173101.7 Ų101.781%0.80862%0.616SS**THydrogen-bonded Turntrans-59.9-1-174.2-79.7175.1-17.700116.8P173P173-Q175 PolarHBondContact O-N 3.07Å; P173-Q175 VanDerWaalsContact O-N 3.13Å
176I61.2Low57.9Low123 Ų12394.9 Ų94.963%0.63159%0.587SS**THydrogen-bonded Turntrans-102.8-24.8-170.6-61.9170.1000113.1C174C174-I176 PolarHBondContact O-N 2.92Å
177C54Low59.1Low26 Ų2692 Ų9218%0.17658%0.575CS.*SBendtrans-120129.6174.2-65.30000109.1P179 C309C177-P179 WeakPolarHBondContact O-CD 3.27Å; C177-C309 HydrophobicContact CB-CB 4.24Å; C177-C309 WeakPolarHBondContact CB-SG 3.42Å; C177-C309 WeakPolarHBondContact SG-CB 3.38Å; C177-C309 CovalentContact SG-SG 2.07Å; C177-C309 PolarHBondContact SG-SG 3.44Å
178L59.5Low60.1Low123 Ų12386 Ų8664%0.64456%0.558SS**PPolyproline II helixtrans-62.2125.7171.5-87.575.6000108G180 G307L178-G180 PolarHBondContact O-N 3.24Å; L178-G307 WeakPolarHBondContact O-CA 3.21Å
179P62.2Low60.7Low69 Ų6983.1 Ų83.145%0.44853%0.529SS..PPolyproline II helixtrans-53.3141.3167.6-23.833.8000109.6P173 C177P173-P179 HydrophobicContact CB-CG 3.94Å; P173-P179 HydrophobicContact CG-CG 4.14Å; C177-P179 WeakPolarHBondContact O-CD 3.27Å
180G64.3Low61.8Low8 Ų881.2 Ų81.28%0.08252%0.516CS..PPolyproline II helixtrans-60.9157.1175.800000112.2G134 L178 S305 G307G134-G180 WeakPolarHBondContact CA-O 3.33Å; L178-G180 PolarHBondContact O-N 3.24Å; G180-S305 WeakPolarHBondContact CA-O 3.32Å; G180-G307 VanDerWaalsContact CA-CA 3.5Å
181S69.6Low62.6Low76 Ų7680 Ų8053%0.53150%0.498SS..PPolyproline II helixtrans-55.7143179.249.40000111G183 G304S181-G183 PolarHBondContact O-N 3.45Å; S181-G304 VanDerWaalsContact O-CA 3.28Å; S181-G304 WeakPolarHBondContact O-CA 3.47Å
182P72.1Confident63.6Low93 Ų9375.6 Ų75.660%0.60446%0.462SS*.PPolyproline II helixtrans-51.3142.7174.1-26.334.3000111.4
183G70.7Confident64.7Low6 Ų670.6 Ų70.66%0.06245%0.446CS..PPolyproline II helixtrans-60.2159.1175.400000112.3P135 G137 S181P135-G183 PolarHBondContact O-N 2.93Å; G137-G183 WeakPolarHBondContact CA-O 3.34Å; S181-G183 PolarHBondContact O-N 3.45Å
184P72Confident65.5Low88 Ų8871 Ų7157%0.57145%0.448SS*.PPolyproline II helixtrans-57.4152.9175.726.8-34.5000110.7G301 P302P184-G301 WeakPolarHBondContact O-CA 3.33Å; P184-P302 HydrophobicContact CG-CG 3.87Å
185A72Confident66.5Low72 Ų7266.2 Ų66.260%0.59542%0.418SS*.PPolyproline II helixtrans-55.3142.9174.400000110.6
186G67.9Low67.3Low12 Ų1262.1 Ų62.112%0.12441%0.407CS..PPolyproline II helixtrans-67.4164.2176.700000113.1P138 G140 A188 V299 G301P138-G186 PolarHBondContact O-N 2.99Å; G140-G186 WeakPolarHBondContact CA-O 3.45Å; G186-A188 PolarHBondContact O-N 3.18Å; G186-V299 VanDerWaalsContact CA-O 3.28Å; G186-V299 WeakPolarHBondContact CA-O 3.44Å; G186-G301 VanDerWaalsContact CA-CA 3.42Å; G186-G301 VanDerWaalsContact CA-N 3.32Å
187A69.8Low67.8Low68 Ų6865.4 Ų65.456%0.56242%0.416SS*.PPolyproline II helixtrans-63.1137.1176.600000110.2G298 V299A187-G298 VanDerWaalsContact O-CA 3.29Å; A187-G298 WeakPolarHBondContact O-CA 3.32Å; A187-V299 HydrophobicContact CB-CG2 4.03Å; A187-V299 PolarHBondContact O-N 3.38Å
188A70.1Confident68.2Low68 Ų6865.4 Ų65.456%0.56242%0.421SS*.PPolyproline II helixtrans-55.5147.7175.200000110.9E141 G186E141-A188 WeakPolarHBondContact O-CA 3.25Å; G186-A188 PolarHBondContact O-N 3.18Å
189G62.9Low68.7Low7 Ų762.3 Ų62.37%0.07241%0.413CS..PPolyproline II helixtrans-59.4151.7176.100000111.7E141 G143 P296 G298E141-G189 PolarHBondContact O-N 2.98Å; G143-G189 WeakPolarHBondContact CA-O 3.43Å; G189-P296 WeakPolarHBondContact CA-O 3.45Å; G189-G298 VanDerWaalsContact N-CA 3.31Å
190P69.7Low69.2Low87 Ų8765 Ų6557%0.56543%0.43SS*.PPolyproline II helixtrans-60.5149.717127.8-34.3000110.2G192 G295 P296P190-G192 PolarHBondContact O-N 2.97Å; P190-G295 WeakPolarHBondContact O-CA 3.28Å; P190-P296 HydrophobicContact CG-CG 3.6Å
191K70.3Confident69.1Low100 Ų10066.3 Ų66.344%0.43544%0.444SS..PPolyproline II helixtrans-54.3138.2174.6-159.6-175.5-169.4143.70110.7P144 D145 G146 N147P144-K191 WeakPolarHBondContact O-CG 3.41Å; D145-K191 WeakPolarHBondContact O-CE 3.44Å; G146-K191 VanDerWaalsContact CA-CE 3.42Å; N147-K191 WeakPolarHBondContact OD1-CE 3.23Å; N147-K191 PolarHBondContact OD1-NZ 3.36Å
192G66.2Low69.1Low4 Ų465.7 Ų65.74%0.04144%0.444CS..PPolyproline II helixtrans-59.7150.9171.200000112.4G146 P190 V293G146-G192 WeakPolarHBondContact CA-O 3.29Å; P190-G192 PolarHBondContact O-N 2.97Å; G192-V293 VanDerWaalsContact CA-O 3.3Å; G192-V293 WeakPolarHBondContact CA-O 3.37Å
193P70Confident69Low78 Ų7867.2 Ų67.251%0.50645%0.454SS..PPolyproline II helixtrans-63.7148.7175.728.7-34.7000110.8G292 V293P193-G292 WeakPolarHBondContact O-CA 3.46Å; P193-V293 HydrophobicContact CG-CG2 3.56Å
194P71.2Confident68.3Low96 Ų9668.8 Ų68.862%0.62347%0.47SS*.PPolyproline II helixtrans-56.1147.8174.6-24.134000112.3
195G66.3Low68.1Low14 Ų1470.3 Ų70.314%0.14447%0.472CS..PPolyproline II helixtrans-63.8160.2173.700000112.7K290G195-K290 WeakPolarHBondContact CA-O 3.45Å
196P70.8Confident67.9Low86 Ų8674.5 Ų74.556%0.55848%0.484SS*.PPolyproline II helixtrans-63.4144175.328-34.4000111.1G289 K290P196-G289 VanDerWaalsContact O-CA 3.3Å; P196-G289 WeakPolarHBondContact O-CA 3.42Å; P196-K290 HydrophobicContact CG-CB 4.4Å
197K72Confident67Low192 Ų19275.7 Ų75.784%0.83550%0.497SS*.PPolyproline II helixtrans-59.2141.2173.2-171.8177.6178.4178.90110.2
198G62.8Low66.8Low26 Ų2681.6 Ų81.627%0.26851%0.51SS..PPolyproline II helixtrans-56.1153.1173.300000112.5P287G198-P287 WeakPolarHBondContact CA-O 3.31Å
199A70.4Confident66.4Low59 Ų5990 Ų9049%0.48853%0.527SS..PPolyproline II helixtrans-66.1149.8176.300000110.5G286 P287A199-G286 WeakPolarHBondContact O-CA 3.35Å; A199-P287 HydrophobicContact CB-CG 4.24Å
200P72.1Confident65.7Low124 Ų12491.3 Ų91.381%0.80554%0.54SS*.PPolyproline II helixtrans-56147.2170.7-23.134000111.8
201G62.4Low65.2Low37 Ų3795.8 Ų95.838%0.38155%0.554SS.*PPolyproline II helixtrans-61.6161.9173.900000112.5D284G201-D284 VanDerWaalsContact CA-O 3.31Å; G201-D284 WeakPolarHBondContact CA-O 3.45Å
202A70.1Confident64.6Low63 Ų63102.4 Ų102.452%0.52158%0.576SS.*PPolyproline II helixtrans-65.7147.8175.500000110.3G283 D284A202-G283 WeakPolarHBondContact O-CA 3.34Å; A202-D284 PolarHBondContact N-O 3.24Å
203P70.2Confident63.6Low125 Ų125103.9 Ų103.981%0.81259%0.591SS**PPolyproline II helixtrans-57.9143.5168-2233.4000110.9
204G55.3Low62.8Low39 Ų39108.7 Ų108.740%0.40261%0.609SS.*PPolyproline II helixtrans-61.1158.5173.100000112D281G204-D281 WeakPolarHBondContact CA-O 3.35Å
205I67.9Low62.3Low120 Ų120111 Ų11162%0.61562%0.621SS**PPolyproline II helixtrans-75.7145174.954.6171000110.3G280I205-G280 WeakPolarHBondContact O-CA 3.39Å
206D67.7Low61.4Low159 Ų159112.9 Ų112.985%0.8564%0.641SS**PPolyproline II helixtrans-66.8136.6173.7-72.9-30.5000110.6
207G49.2Very low60.8Low38 Ų38113.7 Ų113.739%0.39265%0.654SS.*PPolyproline II helixtrans-60.8149.1175.800000112.5D278G207-D278 WeakPolarHBondContact CA-O 3.46Å
208K65.7Low60.4Low192 Ų192113.7 Ų113.784%0.83566%0.658SS**PPolyproline II helixtrans-67.3136.5178.3-70.7-176.8179.5174.90110.7G210 G277K208-G210 PolarHBondContact O-N 3.39Å; K208-G277 WeakPolarHBondContact O-CA 3.38Å
209R62.1Low59.8Low244 Ų244115.2 Ų115.292%0.92167%0.673SS**PPolyproline II helixtrans-62.1127.6173.4-177.6177.8-178.8169.82.8110.2
210G47.4Very low59.3Low34 Ų34118.3 Ų118.335%0.35169%0.688SS.*PPolyproline II helixtrans-56.6148.8176.600000113.4K208K208-G210 PolarHBondContact O-N 3.39Å
211E59.6Low58.9Low182 Ų182118.5 Ų118.585%0.8569%0.69SS**PPolyproline II helixtrans-67.7153.7-179.1-65.7-168.7143.900112.4
212R56.7Low58.3Low239 Ų239120 Ų12090%0.90271%0.705SS**PPolyproline II helixtrans-72.1130.5176-175.4-173-63.8-173.30.9109.3
213G45.8Very low57.7Low35 Ų35128.5 Ų128.536%0.36172%0.723SS.*PPolyproline II helixtrans-56.3146.5174.600000112.9
214M52.7Low57.4Low178 Ų178128.5 Ų128.588%0.87772%0.723SS**PPolyproline II helixtrans-67.1147.8179-63.2-179.676.800111.7
215V60.9Low57Low145 Ų145130.2 Ų130.288%0.87974%0.741SS**PPolyproline II helixtrans-68.8133.2172.8-178.40000109.1
216G47.8Very low56.6Low54 Ų54134 Ų13456%0.55776%0.756SS**PPolyproline II helixtrans-63.3152.5178.900000113
217A57.1Low55.9Low102 Ų102132.6 Ų132.684%0.84376%0.758SS**PPolyproline II helixtrans-66.3148.9178.700000112.5
218E63.6Low56Low193 Ų193133.8 Ų133.890%0.90277%0.769SS**PPolyproline II helixtrans-63.5138.1173.8-167.2177.1172.600110.9
219G50.2Low55.8Low58 Ų58131 Ų13160%0.59877%0.771SS**PPolyproline II helixtrans-69.9153.3-178.200000113.4
220P61.1Low55.9Low124 Ų124129.1 Ų129.181%0.80577%0.769SS**PPolyproline II helixtrans-66.5150.6-178.927.2-34.5000112.8
221P63Low56.1Low128 Ų128130.1 Ų130.183%0.83178%0.78SS**PPolyproline II helixtrans-58143.2174.2-2433.5000113.2
222G50.1Low56.3Low68 Ų68127.8 Ų127.870%0.70178%0.781SS**PPolyproline II helixtrans-62.7146.3177.900000113.5
223R58.5Low56.5Low241 Ų241125 Ų12591%0.90978%0.775SS**PPolyproline II helixtrans-66.9144.3178.7-66.5-175.7178.8-173.3-0.3111.7
224P63.6Low56.8Low125 Ų125126.3 Ų126.381%0.81279%0.789SS**PPolyproline II helixtrans-57.1140.6169.8-22.633.3000111.6
225G46.9Very low56.9Low75 Ų75125.6 Ų125.677%0.77379%0.788SS**PPolyproline II helixtrans-67.9147.7176.800000112.6
226E58.1Low56.6Low200 Ų200126 Ų12694%0.93579%0.785SS**PPolyproline II helixtrans-64.9145.2177.4-66.9-177.4125.900112G228E226-G228 PolarHBondContact O-N 2.86Å
227C54.9Low56.6Low130 Ų130127.5 Ų127.588%0.87880%0.801SS**PPolyproline II helixtrans-63130.7173.6-63.70000110.2
228G49.4Very low55.9Low62 Ų62131.7 Ų131.764%0.63980%0.8SS**PPolyproline II helixtrans-61.7154.7175.900000112.7E226E226-G228 PolarHBondContact O-N 2.86Å
229P62Low55Low133 Ų133129.8 Ų129.886%0.86480%0.795SS**PPolyproline II helixtrans-61.1146.3-179.525.7-34000111.6G231P229-G231 PolarHBondContact O-N 3.16Å
230K64.3Low54.9Low205 Ų205133 Ų13389%0.89180%0.803SS**PPolyproline II helixtrans-59.4131.8173.6-172.3175.6-179.3177.70109.4
231G52.9Low53.9Low56 Ų56135.7 Ų135.758%0.57781%0.807SS**PPolyproline II helixtrans-57.9152.5178.700000112.7P229P229-G231 PolarHBondContact O-N 3.16Å
232P62.2Low53Low132 Ų132136.5 Ų136.586%0.85781%0.809SS**PPolyproline II helixtrans-60.7144.7-179.826.2-33.7000111.1G234P232-G234 PolarHBondContact O-N 3.39Å
233K62.6Low52.6Low182 Ų182142.8 Ų142.879%0.79182%0.82SS**PPolyproline II helixtrans-63.3130.2172.2-172.8-179.6177.1-173.40108.5N235K233-N235 PolarHBondContact O-N 2.92Å
234G50.7Low52.4Low62 Ų62133.8 Ų133.864%0.63980%0.802SS**PPolyproline II helixtrans-59.1132.7175.200000110.7P232P232-G234 PolarHBondContact O-N 3.39Å
235N55.4Low52.1Low162 Ų162133.7 Ų133.787%0.86680%0.802SS**PPolyproline II helixtrans-76.5131.1176.5-77.9-15.2000110.2K233 G237K233-N235 PolarHBondContact O-N 2.92Å; N235-G237 PolarHBondContact O-N 3.04Å
236D54.1Low52.8Low154 Ų154136.1 Ų136.182%0.82480%0.804SS**  trans-68.3114.6174.3-61.4-48.7000110.3K238D236-K238 PolarHBondContact O-N 3.22Å
237G47.7Very low52.9Low85 Ų85129.6 Ų129.688%0.87679%0.791SS**  trans-80.592.3173.600000111.4N235N235-G237 PolarHBondContact O-N 3.04Å
238K43.5Very low53.1Low190 Ų190129 Ų12983%0.82679%0.785SS**  trans-80.8122.5165.1-176177-1771790108.2D236D236-K238 PolarHBondContact O-N 3.22Å
239L44.3Very low53.8Low153 Ų153132 Ų13280%0.80179%0.793SS**  trans163.8122.4134.8-84.3169.3000112.8
240V47.2Very low53.4Low126 Ų126129.1 Ų129.176%0.76479%0.788SS**SBendtrans82.4102.3157.7-148.50000120.1
241M39.9Very low52.9Low180 Ų180126.1 Ų126.189%0.88779%0.787SS**SBendtrans51.888.3150.4-58.8-132.1-173.700118.7
242V44.9Very low53.3Low145 Ų145130.3 Ų130.388%0.87980%0.801SS**  169.2119.2129.8159.40000105.5G244V242-G244 PolarHBondContact O-N 3.09Å; V242-G244 VanDerWaalsContact O-N 3.09Å
243E42.4Very low53.1Low200 Ų200126.5 Ų126.594%0.93579%0.785SS**  trans-71.4100.8-177.9-167.7163.1-179.400109.7
244G53.4Low53Low52 Ų52123.9 Ų123.954%0.53679%0.787SS.*PPolyproline II helixtrans-97.8149.7168.100000110.8V242V242-G244 PolarHBondContact O-N 3.09Å; V242-G244 VanDerWaalsContact O-N 3.09Å
245P58.2Low53.5Low123 Ų123130.6 Ų130.680%0.79980%0.798SS**PPolyproline II helixtrans-57.8151.4178.824.7-33.7000111.5G247P245-G247 PolarHBondContact O-N 3.41Å
246P61.9Low53.5Low126 Ų126125.2 Ų125.282%0.81878%0.782SS**PPolyproline II helixtrans-48.4130.4176-2733.9000111.2
247G58.5Low53.8Low64 Ų64124 Ų12466%0.6678%0.782SS**PPolyproline II helixtrans-56144.5175.500000110.5P245P245-G247 PolarHBondContact O-N 3.41Å
248P58.8Low54.2Low117 Ų117129.8 Ų129.876%0.7678%0.783SS**PPolyproline II helixtrans-55.8151.8176.424-33.3000110.5G250P248-G250 PolarHBondContact O-N 3.49Å
249P64.1Low54.6Low124 Ų124123.7 Ų123.781%0.80577%0.774SS**PPolyproline II helixtrans-47.3135.5173.8-26.833.9000110.6V251P249-V251 PolarHBondContact O-N 3.15Å
250G54.5Low55.2Low74 Ų74125.8 Ų125.876%0.76378%0.777SS**PPolyproline II helixtrans-50.4129.9175.700000109.9P248 V252P248-G250 PolarHBondContact O-N 3.49Å; G250-V252 PolarHBondContact O-N 3.38Å
251V54.6Low55.8Low141 Ų141125.6 Ų125.686%0.85578%0.778SS**PPolyproline II helixtrans-49.3131174.5-96.20000109.6P249 G253P249-V251 PolarHBondContact O-N 3.15Å; V251-G253 PolarHBondContact O-N 3.36Å; V251-G253 VanDerWaalsContact O-N 3.07Å
252V60.5Low56.4Low144 Ų144120.1 Ų120.187%0.87377%0.767SS**PPolyproline II helixtrans-53120170.5177.80000106.8G250G250-V252 PolarHBondContact O-N 3.38Å
253G57.2Low57Low52 Ų52123 Ų12354%0.53677%0.768SS.*PPolyproline II helixtrans-54149.1178.800000110.4V251 K255V251-G253 PolarHBondContact O-N 3.36Å; V251-G253 VanDerWaalsContact O-N 3.07Å; G253-K255 PolarHBondContact O-N 3.38Å
254P61.4Low57.8Low127 Ų127119.9 Ų119.983%0.82576%0.763SS**PPolyproline II helixtrans-53.6142.8178.923.8-33.7000110.1G256P254-G256 PolarHBondContact O-N 3.08Å; P254-G256 VanDerWaalsContact O-N 3.14Å
255K60.2Low57.7Low203 Ų203120.2 Ų120.288%0.88377%0.767SS**PPolyproline II helixtrans-49.7126169.5-176.3176-179.3174.10107.5G253G253-K255 PolarHBondContact O-N 3.38Å
256G56.4Low57.7Low50 Ų50122 Ų12252%0.51577%0.77SS.*PPolyproline II helixtrans-51.7149.4176.700000110.6P254P254-G256 PolarHBondContact O-N 3.08Å; P254-G256 VanDerWaalsContact O-N 3.14Å
257P59.7Low57.7Low129 Ų129123.5 Ų123.584%0.83877%0.771SS**PPolyproline II helixtrans-53.5145.6179.123.4-33.4000110.4G259P257-G259 PolarHBondContact O-N 3.35Å
258K57.7Low57.3Low206 Ų206123.4 Ų123.490%0.89677%0.77SS**PPolyproline II helixtrans-50.7127.1170.8-174.8178.2179.3178.90107.5K260K258-K260 PolarHBondContact O-N 3.37Å
259G50.7Low57.3Low61 Ų61122 Ų12263%0.62977%0.768SS**PPolyproline II helixtrans-49.8138.7174.700000109.7P257P257-G259 PolarHBondContact O-N 3.35Å
260K57.2Low57.2Low197 Ų197122 Ų12286%0.85777%0.768SS**PPolyproline II helixtrans-54.5142.8175.1-67.6-176.9177.4-178.40108.5K258 G262K258-K260 PolarHBondContact O-N 3.37Å; K260-G262 PolarHBondContact O-N 3.48Å
261P60.2Low57.1Low123 Ų123120.7 Ų120.780%0.79975%0.754SS**PPolyproline II helixtrans-47.6139.3169.8-25.533.9000109.7
262G51.3Low57.2Low64 Ų64121.6 Ų121.666%0.6675%0.753SS**PPolyproline II helixtrans-52146.2170.200000109.3K260 T264K260-G262 PolarHBondContact O-N 3.48Å; G262-T264 PolarHBondContact O-N 3.43Å
263K57.7Low57.2Low207 Ų207124.3 Ų124.390%0.975%0.754SS**PPolyproline II helixtrans-55.1137.7171.5-65-177.9177.7-177.50108.1G265K263-G265 PolarHBondContact O-N 3.17Å
264T59.6Low57.1Low133 Ų133123.3 Ų123.382%0.81674%0.743SS**PPolyproline II helixtrans-47.7129.3168.9-47.60000107.7G262 N266G262-T264 PolarHBondContact O-N 3.43Å; T264-N266 PolarHBondContact O-N 3.08Å
265G50.8Low57.1Low60 Ų60125.3 Ų125.362%0.61974%0.741SS**PPolyproline II helixtrans-53.1142.6173.900000109.1K263 D267K263-G265 PolarHBondContact O-N 3.17Å; G265-D267 PolarHBondContact O-N 3.43Å
266N58Low57.1Low161 Ų161121.6 Ų121.686%0.86174%0.738SS**PPolyproline II helixtrans-57.5141.4172.4-64.3-27.3000108.4T264 G268T264-N266 PolarHBondContact O-N 3.08Å; N266-G268 PolarHBondContact O-N 3.2Å
267D61.8Low57.1Low157 Ų157121 Ų12184%0.8473%0.731SS**PPolyproline II helixtrans-49.1132.6171.2-65.8-30.3000108.8G265 A269G265-D267 PolarHBondContact O-N 3.43Å; D267-A269 PolarHBondContact O-N 3.41Å
268G50.4Low57.3Low62 Ų62121.3 Ų121.364%0.63973%0.726SS**PPolyproline II helixtrans-53.1140.2174.900000109.5N266N266-G268 PolarHBondContact O-N 3.2Å
269A58.9Low57.5Low88 Ų88117.4 Ų117.473%0.72772%0.722SS**PPolyproline II helixtrans-52.1141.6176.300000109.8D267 G271D267-A269 PolarHBondContact O-N 3.41Å; A269-G271 PolarHBondContact O-N 3.37Å
270P61.7Low57.8Low124 Ų124116 Ų11681%0.80571%0.707SS**PPolyproline II helixtrans-49.1133.6173.5-26.533.9000110
271G53Low58.2Low46 Ų46112.1 Ų112.147%0.47470%0.696SS.*PPolyproline II helixtrans-51.8144.5175.400000110.1A269 K273A269-G271 PolarHBondContact O-N 3.37Å; G271-K273 PolarHBondContact O-N 3.42Å
272L57.5Low58.6Low159 Ų159112 Ų11283%0.83270%0.695SS**PPolyproline II helixtrans-55.4140178.6-63.1175.5000109.6G274L272-G274 PolarHBondContact O-N 3.27Å
273K60.8Low59.1Low202 Ų202110.5 Ų110.588%0.87868%0.68SS**PPolyproline II helixtrans-56.2125.2170.8-175.2-178.8177.2-175.80107.1G271G271-K273 PolarHBondContact O-N 3.42Å
274G55.2Low59.7Low30 Ų30106.8 Ų106.831%0.30967%0.67SS.*PPolyproline II helixtrans-53.2146.2174.500000110.3L272L272-G274 PolarHBondContact O-N 3.27Å
275E60Low60.2Low170 Ų170105.3 Ų105.379%0.79466%0.662SS**PPolyproline II helixtrans-57.9146.9179.4-64.7-175.7115.100110.2G277E275-G277 PolarHBondContact O-N 3.47Å
276P61.2Low60.7Low124 Ų124103.3 Ų103.381%0.80564%0.641SS**PPolyproline II helixtrans-50.7136.9168.2-22.533.5000109.3
277G55.8Low61.3Low37 Ų37100 Ų10038%0.38163%0.629SS.*PPolyproline II helixtrans-60.9154172.900000110.7K208 E275K208-G277 WeakPolarHBondContact O-CA 3.38Å; E275-G277 PolarHBondContact O-N 3.47Å
278D63.2Low61.5Low137 Ų13796.7 Ų96.773%0.73361%0.608SS**PPolyproline II helixtrans-56.4143.7176.6-63.6-50.1000110.7G207 G280G207-D278 WeakPolarHBondContact CA-O 3.46Å; D278-G280 PolarHBondContact O-N 3.28Å
279P62.1Low61.9Low123 Ų12394.8 Ų94.880%0.79959%0.589SS**PPolyproline II helixtrans-51.3136.8168.9-23.433.4000109.7
280G57.2Low62.2Low31 Ų3198.3 Ų98.332%0.3259%0.588SS.*PPolyproline II helixtrans-64.5157.2175.400000111.7I205 D278I205-G280 WeakPolarHBondContact O-CA 3.39Å; D278-G280 PolarHBondContact O-N 3.28Å
281D66.9Low62.4Low117 Ų11797.2 Ų97.263%0.62658%0.58SS**PPolyproline II helixtrans-61.3142.3-178.5-63.2-50.5000111.1G204 G283G204-D281 WeakPolarHBondContact CA-O 3.35Å; D281-G283 PolarHBondContact O-N 3.47Å
282P67.3Low62.7Low121 Ų12195.6 Ų95.679%0.78656%0.564SS**PPolyproline II helixtrans-53.4138.5170.4-23.633.4000110.6
283G61.4Low63.2Low32 Ų3292.8 Ų92.833%0.3355%0.553SS.*PPolyproline II helixtrans-65155.7177.700000112.5A202 D281A202-G283 WeakPolarHBondContact O-CA 3.34Å; D281-G283 PolarHBondContact O-N 3.47Å
284D70Confident63.6Low129 Ų12991.3 Ų91.369%0.6954%0.542SS*.PPolyproline II helixtrans-61143.1-179-65.3-44.1000111.8G201 A202G201-D284 VanDerWaalsContact CA-O 3.31Å; G201-D284 WeakPolarHBondContact CA-O 3.45Å; A202-D284 PolarHBondContact N-O 3.24Å
285P71.2Confident63.8Low102 Ų10290.1 Ų90.166%0.66253%0.53SS*.PPolyproline II helixtrans-54141.2171.9-25.134.2000112
286G61.9Low64.1Low17 Ų1786 Ų8618%0.17552%0.517CS..PPolyproline II helixtrans-65.9158.2175.800000112.4A199A199-G286 WeakPolarHBondContact O-CA 3.35Å
287P68.9Low64.5Low93 Ų9386.5 Ų86.560%0.60451%0.509SS*.PPolyproline II helixtrans-62145.4178.727-34.8000111.4G198 A199G198-P287 WeakPolarHBondContact CA-O 3.31Å; A199-P287 HydrophobicContact CB-CG 4.24Å
288Q66.4Low64.8Low86 Ų8685.1 Ų85.140%0.40250%0.495SS..PPolyproline II helixtrans-55.7142.4173.4-166.9179.3-9.600110.8G152G152-Q288 WeakPolarHBondContact O-CB 3.23Å
289G59.3Low65.2Low22 Ų2283.4 Ų83.423%0.22749%0.489CS..PPolyproline II helixtrans-58148.6170.300000111.5P196P196-G289 VanDerWaalsContact O-CA 3.3Å; P196-G289 WeakPolarHBondContact O-CA 3.42Å
290K65.9Low65.6Low163 Ų16384.9 Ų84.971%0.70948%0.479SS*.PPolyproline II helixtrans-65.9148.1174.2-66.2-176.6179.2-178.70109.8G195 P196G195-K290 WeakPolarHBondContact CA-O 3.45Å; P196-K290 HydrophobicContact CG-CB 4.4Å
291P65.4Low66Low100 Ų10083.7 Ų83.765%0.64947%0.466SS*.PPolyproline II helixtrans-53.1151173.3-26.234.7000112.4
292G59.7Low66.2Low13 Ų1382.1 Ų82.113%0.13446%0.462CS..PPolyproline II helixtrans-57.7156.117100000111.9P193P193-G292 WeakPolarHBondContact O-CA 3.46Å
293V66.6Low66.5Low99 Ų9979.1 Ų79.160%0.645%0.448SS*.PPolyproline II helixtrans-76.2143.8172.7-61.40000109.5G192 P193 G295G192-V293 VanDerWaalsContact CA-O 3.3Å; G192-V293 WeakPolarHBondContact CA-O 3.37Å; P193-V293 HydrophobicContact CG-CG2 3.56Å; V293-G295 PolarHBondContact O-N 3.39Å
294R69.2Low66.7Low172 Ų17277.9 Ų77.965%0.64944%0.436SS*.PPolyproline II helixtrans-54.3138174.8-174.3174175168-2.6109.9D142D142-R294 IonicContact OD2-CZ 2.89Å; D142-R294 IonicContact OD2-NE 2.63Å; D142-R294 PolarHBondContact OD2-NE 2.83Å; D142-R294 IonicContact OD2-NH2 2.6Å; D142-R294 PolarHBondContact OD2-NH2 3.47Å
295G60.4Low66.7Low5 Ų575.4 Ų75.45%0.05243%0.428CS..PPolyproline II helixtrans-60.3155.8175.200000111.8P190 V293P190-G295 WeakPolarHBondContact O-CA 3.28Å; V293-G295 PolarHBondContact O-N 3.39Å
296P65.6Low66.4Low82 Ų8273.6 Ų73.653%0.53242%0.416SS..PPolyproline II helixtrans-62.3153.2173.527.7-32.8000110.6G189 P190G189-P296 WeakPolarHBondContact CA-O 3.45Å; P190-P296 HydrophobicContact CG-CG 3.6Å
297Q70.1Confident66.4Low135 Ų13573 Ų7363%0.63141%0.411SS*.PPolyproline II helixtrans-56.3144.4179.2-172175.313.900111.6A139 D142A139-Q297 HydrophobicContact CB-CG 4.39Å; D142-Q297 WeakPolarHBondContact OD1-CA 3.01Å
298G62.5Low66Low9 Ų971.7 Ų71.79%0.09340%0.403CS..PPolyproline II helixtrans-58155.4173.600000112.8A187 G189A187-G298 VanDerWaalsContact O-CA 3.29Å; A187-G298 WeakPolarHBondContact O-CA 3.32Å; G189-G298 VanDerWaalsContact N-CA 3.31Å
299V70.4Confident65.7Low100 Ų10068.5 Ų68.561%0.60639%0.391SS*.PPolyproline II helixtrans-69.6151.3173.8-65.60000109.7G140 G186 A187G140-V299 PolarHBondContact N-O 3.39Å; G186-V299 VanDerWaalsContact CA-O 3.28Å; G186-V299 WeakPolarHBondContact CA-O 3.44Å; A187-V299 HydrophobicContact CB-CG2 4.03Å; A187-V299 PolarHBondContact O-N 3.38Å
300R71.7Confident65.5Low155 Ų15573.6 Ų73.659%0.58541%0.413SS*.BIsolated β-bridgetrans-65.8141.4172.8-167.1176.5-177.6-175.1-5.4110.2P136 G137P136-R300 HydrophobicContact CB-CG 4.38Å; P136-R300 VanDerWaalsContact CG-NH2 3.35Å; P136-R300 PolarHBondContact O-NE 2.88Å; P136-R300 PolarHBondContact O-NH2 3.43Å; G137-R300 WeakPolarHBondContact O-CG 3.24Å; G137-R300 PolarHBondContact O-NE 3.3Å
301G65.4Low65Low5 Ų573 Ų735%0.05241%0.412CS..PPolyproline II helixtrans-64.1158.9173.900000112.7P184 G186P184-G301 WeakPolarHBondContact O-CA 3.33Å; G186-G301 VanDerWaalsContact CA-CA 3.42Å; G186-G301 VanDerWaalsContact CA-N 3.32Å
302P71.3Confident64.1Low84 Ų8471.5 Ų71.555%0.54540%0.403SS..PPolyproline II helixtrans-60.6163.8174.927.3-33.9000111.7G137 P184G137-P302 PolarHBondContact N-O 3.45Å; P184-P302 HydrophobicContact CG-CG 3.87Å
303A72.9Confident63.6Low58 Ų5876.6 Ų76.648%0.47943%0.434SS..PPolyproline II helixtrans-57.3149.2172.600000111.5
304G66.8Low62.8Low7 Ų776.9 Ų76.97%0.07244%0.436CS..PPolyproline II helixtrans-67.3163.8174.600000112.6G134 S181G134-G304 PolarHBondContact O-N 3.18Å; S181-G304 VanDerWaalsContact O-CA 3.28Å; S181-G304 WeakPolarHBondContact O-CA 3.47Å
305S68.7Low61.4Low76 Ų7674 Ų7453%0.53144%0.44SS..PPolyproline II helixtrans-56.3147.4170.8-30.10000109.9G134 G180G134-S305 PolarHBondContact N-O 3.44Å; G180-S305 WeakPolarHBondContact CA-O 3.32Å
306P65.6Low60.5Low64 Ų6485.1 Ų85.142%0.41648%0.48SS..BIsolated β-bridgetrans-54.9141.4167.1-24.935.3000111.9Q130 G131Q130-P306 HydrophobicContact CB-CB 4.4Å; G131-P306 WeakPolarHBondContact O-CB 3.47Å
307G61.1Low59.7Low6 Ų687.4 Ų87.46%0.06249%0.493CS..PPolyproline II helixtrans-68.5153.8175.100000112.6G131 P132 L178 G180G131-G307 WeakPolarHBondContact CA-O 3.4Å; G131-G307 PolarHBondContact N-O 3.44Å; P132-G307 PolarHBondContact O-N 3.14Å; L178-G307 WeakPolarHBondContact O-CA 3.21Å; G180-G307 VanDerWaalsContact CA-CA 3.5Å
308S61.7Low58.1Low64 Ų6484.6 Ų84.645%0.44849%0.493SS..PPolyproline II helixtrans-92.7132.3169.763.80000110.4D310S308-D310 VanDerWaalsContact C-N 3.31Å; S308-D310 VanDerWaalsContact CB-OD2 3.29Å; S308-D310 WeakPolarHBondContact CB-OD2 3.38Å; S308-D310 PolarHBondContact O-N 3.23Å; S308-D310 PolarHBondContact OG-OD2 3.31Å
309C58.7Low57.2Low20 Ų2090 Ų9014%0.13553%0.527CS..  trans-91.565.5171.9-58.30000109C177 H311C177-C309 HydrophobicContact CB-CB 4.24Å; C177-C309 WeakPolarHBondContact CB-SG 3.42Å; C177-C309 WeakPolarHBondContact SG-CB 3.38Å; C177-C309 CovalentContact SG-SG 2.07Å; C177-C309 PolarHBondContact SG-SG 3.44Å; C309-H311 PolarHBondContact O-N 3.46Å
310D56.4Low55.6Low129 Ų12988.5 Ų88.569%0.6953%0.531SS*.THydrogen-bonded Turntrans-75.91.4-179.4-67.4-44.5000113.4S308S308-D310 VanDerWaalsContact C-N 3.31Å; S308-D310 VanDerWaalsContact CB-OD2 3.29Å; S308-D310 WeakPolarHBondContact CB-OD2 3.38Å; S308-D310 PolarHBondContact O-N 3.23Å; S308-D310 PolarHBondContact OG-OD2 3.31Å
311H54.5Low53.7Low149 Ų14995.9 Ų95.969%0.6956%0.561SS**THydrogen-bonded Turntrans-124.729.7-176.2-75.6-4.2000114.1C309 P313C309-H311 PolarHBondContact O-N 3.46Å; H311-P313 WeakPolarHBondContact O-CD 3.37Å
312C46.8Very low53.1Low69 Ų69100.5 Ų100.547%0.46659%0.587SS.*  trans-65.3119.7151.9-99.30000107.5T314C312-T314 PolarHBondContact O-N 3.07Å
313P49.7Very low52.2Low121 Ų121101.3 Ų101.379%0.78659%0.589SS**  trans-66.782.8160.730.5-30.8000105.7H311H311-P313 WeakPolarHBondContact O-CD 3.37Å
314T49.7Very low51Low105 Ų105103.7 Ų103.764%0.64460%0.595SS**  trans-51130.4147.848.70000104.5C312 R316C312-T314 PolarHBondContact O-N 3.07Å; T314-R316 PolarHBondContact O-N 3.32Å
315P40.1Very low50.1Low111 Ų111109.4 Ų109.472%0.72163%0.626SS**  trans-52.4117.3169.321.4-27.9000104.2T317P315-T317 PolarHBondContact O-N 3.32Å
316R41Very low48.9Very low238 Ų238111.5 Ų111.590%0.89863%0.632SS**  trans-56.196.3166.6-75.1-170.6-172.1-160.63.2103.7T314 A318T314-R316 PolarHBondContact O-N 3.32Å; R316-A318 PolarHBondContact O-N 3.23Å
317T47.7Very low47.8Very low130 Ų130114.7 Ų114.780%0.79865%0.646SS**  trans-52.8105.315330.20000102.8P315P315-T317 PolarHBondContact O-N 3.32Å
318A36.9Very low46.9Very low77 Ų77122.4 Ų122.464%0.63669%0.688SS**PPolyproline II helixtrans-49.1136.9176.400000107.2R316 G320R316-A318 PolarHBondContact O-N 3.23Å; A318-G320 PolarHBondContact O-N 3.09Å; A318-G320 VanDerWaalsContact O-N 3.09Å
319P43.6Very low45.7Very low123 Ų123126.9 Ų126.980%0.79971%0.706SS**SBendtrans-51.9123.4167.9-18.629.9000107Y321P319-Y321 PolarHBondContact O-N 3.27Å
320G37.8Very low44.6Very low68 Ų68135.8 Ų135.870%0.70175%0.754SS**PPolyproline II helixtrans-50.8122.2-167.700000112.8A318A318-G320 PolarHBondContact O-N 3.09Å; A318-G320 VanDerWaalsContact O-N 3.09Å
321Y31.2Very low43.6Very low310 Ų310136.5 Ų136.5100%1.21676%0.759SS**  trans-159.10151.6-84.5-70.5000108.1P319P319-Y321 PolarHBondContact O-N 3.27Å

Retrieved 321 of 321 residues in 62.5 ms (Link to these results)