A0A077Z3J7_TRITR Loading...

DNA polymerase

AlphaFold DB , UniProt , Accession A0A077Z3J7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 805 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
1M39.9Very low65Low218 Ų218118.2 Ų118.2100%1.07468%0.684SS**  0-12.10-92.6-167.7178.700114.3
2L47.3Very low67.6Low85 Ų85111.9 Ų111.945%0.44565%0.649SS.*  trans-82.3-19.4172.5-77.2162.8000113.8T4 A142 F145L2-T4 PolarHBondContact O-N 3.01Å; L2-T4 VanDerWaalsContact O-N 3.11Å; L2-A142 HydrophobicContact CD1-CB 4.34Å; L2-F145 HydrophobicContact CD2-CD2 4.04Å; L2-F145 HydrophobicContact CD2-CE2 3.88Å
3S46Very low69.8Low114 Ų114112.5 Ų112.580%0.79766%0.659SS**THydrogen-bonded Turntrans-73-1-172.3600000116.1
4T48.9Very low71.7Confident120 Ų120110.8 Ų110.874%0.73665%0.645SS**THydrogen-bonded Turntrans-134.84.4-174.747.90000115.3L2L2-T4 PolarHBondContact O-N 3.01Å; L2-T4 VanDerWaalsContact O-N 3.11Å
5C50.4Low73.3Confident89 Ų89107.2 Ų107.260%0.60162%0.62SS**  trans-108.1111.6175.7-70.40000110.8T7C5-T7 VanDerWaalsContact C-N 3.31Å; C5-T7 PolarHBondContact O-N 3.09Å; C5-T7 PolarHBondContact O-OG1 2.69Å
6L55.1Low74.8Confident180 Ų180107.5 Ų107.594%0.94261%0.608SS**  trans-54.287.7170.7-72.4159.3000110.5
7T70.5Confident76.1Confident76 Ų76102.9 Ų102.947%0.46659%0.586SS.*  trans-83.5121.9171.2-600000108.3C5 L141C5-T7 VanDerWaalsContact C-N 3.31Å; C5-T7 PolarHBondContact O-N 3.09Å; C5-T7 PolarHBondContact O-OG1 2.69Å; T7-L141 HydrophobicContact CG2-CD1 3.83Å; T7-L141 HydrophobicContact CG2-CD2 4.34Å
8T84.2Confident77.3Confident121 Ų121101.7 Ų101.774%0.74258%0.577SS**  trans-85.7115.4175.9-480000110
9V87.8Confident78.3Confident79 Ų7996.9 Ų96.948%0.47955%0.55SS.*  trans-84.9123.6170.7-178.20000108.8I137V9-I137 HydrophobicContact CG1-CD1 4.17Å; V9-I137 HydrophobicContact CG2-CG2 4.25Å
10I92.3Very high79.2Confident84 Ų8495.2 Ų95.243%0.43154%0.539SS..  trans-103.7113176.3-56.9173.2000108.3V12 L21I10-V12 HydrophobicContact CG2-CG1 4.26Å; I10-L21 HydrophobicContact CB-CD2 4.08Å; I10-L21 HydrophobicContact CD1-CD2 4.24Å; I10-L21 HydrophobicContact CG2-CD2 3.73Å
11V93Very high80Confident134 Ų13493 Ų9381%0.81253%0.525SS*.  trans-82.6131.7176.2-175.10000109.5
12V95.3Very high82.7Confident43 Ų4385.7 Ų85.726%0.26149%0.493SS..  trans-129.2149.6179.2-67.60000109.9I10 N14 A17 L18 L21I10-V12 HydrophobicContact CG2-CG1 4.26Å; V12-N14 VanDerWaalsContact C-N 3.34Å; V12-N14 PolarHBondContact O-N 3.4Å; V12-A17 HydrophobicContact CB-CB 4.01Å; V12-L18 HydrophobicContact CG2-CB 3.71Å; V12-L18 HydrophobicContact CG2-CD1 4.13Å; V12-L21 HydrophobicContact CG1-CD2 3.86Å
13P96.5Very high85Confident120 Ų12081.8 Ų81.878%0.77947%0.473SS*.SBendtrans-73.4-20.7-167.426.9-36.4000114.8A17P13-A17 HydrophobicContact CG-CB 4.2Å
14N96.3Very high87.4Confident88 Ų8877.9 Ų77.947%0.47145%0.448SS..SBendtrans-161.3170.6-178.556.257.4000111.5V12 R16 A17 L18V12-N14 VanDerWaalsContact C-N 3.34Å; V12-N14 PolarHBondContact O-N 3.4Å; N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.49Å; N14-R16 WeakPolarHBondContact OD1-CB 3.32Å; N14-R16 PolarHBondContact OD1-N 3.23Å; N14-A17 WeakPolarHBondContact O-CB 3.48Å; N14-A17 PolarHBondContact O-N 3.48Å; N14-A17 PolarHBondContact OD1-N 2.63Å; N14-L18 PolarHBondContact O-N 2.83Å; N14-L18 VanDerWaalsContact O-N 3.08Å
15E95.9Very high89.6Confident57 Ų5777.3 Ų77.327%0.26644%0.435SS..Hα-helixtrans-62.7-35.1-179.3-169.9177.9165.700113.3A17 L18 L19 R50 Y54E15-A17 VanDerWaalsContact C-N 3.3Å; E15-A17 PolarHBondContact O-N 3.24Å; E15-L18 WeakPolarHBondContact O-CB 3.44Å; E15-L18 PolarHBondContact O-N 3.48Å; E15-L19 HydrophobicContact CG-CD1 4.1Å; E15-L19 HydrophobicContact CG-CG 4.2Å; E15-L19 WeakPolarHBondContact O-CB 3.36Å; E15-L19 VanDerWaalsContact O-CG 3.26Å; E15-L19 WeakPolarHBondContact O-CG 3.49Å; E15-L19 PolarHBondContact O-N 3.14Å; E15-R50 WeakPolarHBondContact OE1-CB 3.45Å; E15-R50 WeakPolarHBondContact OE1-CG 3.42Å; E15-R50 IonicContact OE1-CZ 2.74Å; E15-R50 IonicContact OE1-NE 3.24Å; E15-R50 PolarHBondContact OE1-NE 3.17Å; E15-R50 IonicContact OE1-NH2 3.46Å; E15-R50 PolarHBondContact OE1-NH2 3.19Å; E15-R50 IonicContact OE2-CZ 2.65Å; E15-R50 IonicContact OE2-NE 2.69Å; E15-R50 IonicContact OE2-NH2 2.71Å; E15-R50 PolarHBondContact OE2-NH2 3.11Å; E15-Y54 HydrophobicContact CB-CE2 4.09Å; E15-Y54 HydrophobicContact CG-CD2 4.3Å; E15-Y54 HydrophobicContact CG-CE2 3.95Å; E15-Y54 WeakPolarHBondContact OE2-CE2 3.24Å; E15-Y54 PolarHBondContact OE2-OH 3.08Å
16R97.4Very high91.7Very high112 Ų11274.4 Ų74.442%0.42341%0.413SS..Hα-helixtrans-60.5-41.5176.2-178.7-179.4166.2109.1-0111.2N14 N20 Y54 K55 V56N14-R16 VanDerWaalsContact C-N 3.32Å; N14-R16 PolarHBondContact O-N 3.49Å; N14-R16 WeakPolarHBondContact OD1-CB 3.32Å; N14-R16 PolarHBondContact OD1-N 3.23Å; R16-N20 WeakPolarHBondContact O-CB 3.21Å; R16-N20 PolarHBondContact O-N 3.02Å; R16-N20 VanDerWaalsContact O-N 3.11Å; R16-Y54 HydrophobicContact CB-CD1 4.46Å; R16-Y54 HydrophobicContact CB-CG 4.42Å; R16-Y54 PolarHBondContact NH1-O 3.09Å; R16-K55 PolarHBondContact NH1-O 2.98Å; R16-V56 HydrophobicContact CG-CG2 4.16Å
17A97.4Very high93.6Very high29 Ų2970.2 Ų70.224%0.2439%0.389CS..Hα-helixtrans-67-40.9175.300000111.7V12 P13 N14 E15 N20 L21V12-A17 HydrophobicContact CB-CB 4.01Å; P13-A17 HydrophobicContact CG-CB 4.2Å; N14-A17 WeakPolarHBondContact O-CB 3.48Å; N14-A17 PolarHBondContact O-N 3.48Å; N14-A17 PolarHBondContact OD1-N 2.63Å; E15-A17 VanDerWaalsContact C-N 3.3Å; E15-A17 PolarHBondContact O-N 3.24Å; A17-N20 PolarHBondContact O-N 2.72Å; A17-L21 WeakPolarHBondContact O-CB 3.47Å; A17-L21 PolarHBondContact O-N 3.46Å
18L96.9Very high94.8Very high82 Ų8272.2 Ų72.243%0.42940%0.401SS..Hα-helixtrans-58.2-51.8174.2-17963.3000111.8V12 N14 E15 N20 L21 V22V12-L18 HydrophobicContact CG2-CB 3.71Å; V12-L18 HydrophobicContact CG2-CD1 4.13Å; N14-L18 PolarHBondContact O-N 2.83Å; N14-L18 VanDerWaalsContact O-N 3.08Å; E15-L18 WeakPolarHBondContact O-CB 3.44Å; E15-L18 PolarHBondContact O-N 3.48Å; L18-N20 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 2.73Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 2.79Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L18-V22 HydrophobicContact CD1-CG2 4.49Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 2.82Å
19L97.1Very high95.4Very high11 Ų1173 Ų736%0.05840%0.4CS..Hα-helixtrans-61.3-42.5-179.7-67.4171.8000111.7E15 L21 V22 L23 L47 R50 I51 Y54 V56E15-L19 HydrophobicContact CG-CD1 4.1Å; E15-L19 HydrophobicContact CG-CG 4.2Å; E15-L19 WeakPolarHBondContact O-CB 3.36Å; E15-L19 VanDerWaalsContact O-CG 3.26Å; E15-L19 WeakPolarHBondContact O-CG 3.49Å; E15-L19 PolarHBondContact O-N 3.14Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-V22 PolarHBondContact O-N 3.15Å; L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.44Å; L19-L47 HydrophobicContact CD2-CD1 3.47Å; L19-L47 VanDerWaalsContact CD2-CD1 3.47Å; L19-R50 HydrophobicContact CD1-CB 3.9Å; L19-R50 HydrophobicContact CD2-CB 4.48Å; L19-I51 HydrophobicContact CB-CG1 4.35Å; L19-I51 HydrophobicContact CD1-CG1 4.25Å; L19-I51 HydrophobicContact CD2-CG1 4.21Å; L19-Y54 HydrophobicContact CD1-CD2 4.06Å; L19-V56 HydrophobicContact CB-CG1 4.41Å; L19-V56 HydrophobicContact CB-CG2 3.82Å; L19-V56 HydrophobicContact CD1-CG2 3.87Å
20N96.4Very high95.7Very high61 Ų6172.7 Ų72.733%0.32640%0.396SS..Hα-helixtrans-65.1-38.7175.8-174.152.3000112R16 A17 L18 L23 A24 V56R16-N20 WeakPolarHBondContact O-CB 3.21Å; R16-N20 PolarHBondContact O-N 3.02Å; R16-N20 VanDerWaalsContact O-N 3.11Å; A17-N20 PolarHBondContact O-N 2.72Å; L18-N20 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 2.73Å; N20-L23 PolarHBondContact O-N 3.48Å; N20-A24 WeakPolarHBondContact O-CB 3.27Å; N20-A24 PolarHBondContact O-N 3.19Å; N20-V56 HydrophobicContact CB-CG1 4.04Å
21L96.2Very high95.9Very high49 Ų4970.4 Ų70.426%0.25739%0.386SS..Hα-helixtrans-64.3-44.1175.4179.763.6000111.4I10 V12 A17 L18 L19 L23 A24 K25I10-L21 HydrophobicContact CB-CD2 4.08Å; I10-L21 HydrophobicContact CD1-CD2 4.24Å; I10-L21 HydrophobicContact CG2-CD2 3.73Å; V12-L21 HydrophobicContact CG1-CD2 3.86Å; A17-L21 WeakPolarHBondContact O-CB 3.47Å; A17-L21 PolarHBondContact O-N 3.46Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 2.79Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 3.07Å; L21-A24 PolarHBondContact O-N 2.83Å; L21-K25 HydrophobicContact CD1-CG 4.21Å; L21-K25 HydrophobicContact CG-CG 4.4Å; L21-K25 WeakPolarHBondContact O-CB 3.29Å; L21-K25 WeakPolarHBondContact O-CG 3.3Å; L21-K25 PolarHBondContact O-N 3.18Å
22V95.2Very high96.1Very high66 Ų6668.7 Ų68.740%0.437%0.373SS..Hα-helixtrans-58.8-47.6175170.20000110.6L18 L19 A24 K25 L26L18-V22 HydrophobicContact CD1-CG2 4.49Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 2.82Å; L19-V22 PolarHBondContact O-N 3.15Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.01Å; V22-K25 PolarHBondContact O-N 3.04Å; V22-L26 VanDerWaalsContact O-CB 3.32Å; V22-L26 WeakPolarHBondContact O-CB 3.34Å; V22-L26 PolarHBondContact O-N 3.01Å
23L96.2Very high96.1Very high3 Ų369 Ų692%0.01637%0.374CS..Hα-helixtrans-63.1-38.6177.1-69.8175.9000112.5L19 N20 L21 Q27 I51 V56 R61 L62L19-L23 WeakPolarHBondContact O-CG 3.43Å; L19-L23 PolarHBondContact O-N 3.44Å; N20-L23 PolarHBondContact O-N 3.48Å; L21-L23 PolarHBondContact O-N 3.07Å; L23-Q27 PolarHBondContact O-N 3.06Å; L23-I51 HydrophobicContact CD1-CD1 4.15Å; L23-I51 HydrophobicContact CD2-CD1 4.14Å; L23-I51 HydrophobicContact CG-CD1 4.37Å; L23-V56 HydrophobicContact CD1-CG1 3.87Å; L23-R61 HydrophobicContact CB-CB 4.09Å; L23-R61 HydrophobicContact CD2-CB 4.27Å; L23-L62 HydrophobicContact CD2-CB 4.13Å
24A96Very high96.1Very high32 Ų3265 Ų6526%0.26435%0.346SS..Hα-helixtrans-66.8-47.1176.300000111.4N20 L21 V22 L26 Q27 T28N20-A24 WeakPolarHBondContact O-CB 3.27Å; N20-A24 PolarHBondContact O-N 3.19Å; L21-A24 PolarHBondContact O-N 2.83Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.01Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 3.45Å; A24-Q27 WeakPolarHBondContact O-CB 3.45Å; A24-Q27 PolarHBondContact O-N 3.1Å; A24-Q27 VanDerWaalsContact O-N 3.14Å; A24-T28 PolarHBondContact O-N 2.85Å; A24-T28 PolarHBondContact O-OG1 2.79Å; A24-T28 VanDerWaalsContact O-OG1 3.12Å
25K94.8Very high96Very high107 Ų10763 Ų6347%0.46534%0.335SS..Hα-helixtrans-60-42.8175.6-74.4-72.8-174.5175.90111.6L21 V22 Q27 T28 L29L21-K25 HydrophobicContact CD1-CG 4.21Å; L21-K25 HydrophobicContact CG-CG 4.4Å; L21-K25 WeakPolarHBondContact O-CB 3.29Å; L21-K25 WeakPolarHBondContact O-CG 3.3Å; L21-K25 PolarHBondContact O-N 3.18Å; V22-K25 PolarHBondContact O-N 3.04Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.02Å; K25-T28 PolarHBondContact O-N 2.74Å; K25-L29 WeakPolarHBondContact O-CB 3.47Å; K25-L29 WeakPolarHBondContact O-CG 3.44Å; K25-L29 PolarHBondContact O-N 2.94Å
26L95Very high96Very high29 Ų2960.8 Ų60.815%0.15233%0.327CS..Hα-helixtrans-62.8-37.7175.8-172.471.6000112V22 A24 N30 P31 I34 L62V22-L26 VanDerWaalsContact O-CB 3.32Å; V22-L26 WeakPolarHBondContact O-CB 3.34Å; V22-L26 PolarHBondContact O-N 3.01Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 3.45Å; L26-N30 WeakPolarHBondContact O-CA 3.49Å; L26-N30 PolarHBondContact O-N 3.3Å; L26-P31 HydrophobicContact CD1-CG 3.46Å; L26-P31 VanDerWaalsContact CD1-CG 3.46Å; L26-P31 WeakPolarHBondContact O-CD 3.17Å; L26-I34 HydrophobicContact CD1-CD1 4.2Å; L26-I34 HydrophobicContact CD1-CG1 4.43Å; L26-I34 HydrophobicContact CD2-CD1 4.43Å; L26-L62 HydrophobicContact CD2-CD1 3.95Å
27Q95.2Very high95.8Very high91 Ų9157.5 Ų57.543%0.42532%0.317SS..Hα-helixtrans-67.3-43174.4-175.2178.60.200111.7L23 A24 K25 R61L23-Q27 PolarHBondContact O-N 3.06Å; A24-Q27 WeakPolarHBondContact O-CB 3.45Å; A24-Q27 PolarHBondContact O-N 3.1Å; A24-Q27 VanDerWaalsContact O-N 3.14Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.02Å; Q27-R61 HydrophobicContact CB-CG 4.39Å
28T95.9Very high95.5Very high119 Ų11957.3 Ų57.373%0.7331%0.312SS*.Hα-helixtrans-68.1-47.2179.8-57.90000112.2A24 K25 N30A24-T28 PolarHBondContact O-N 2.85Å; A24-T28 PolarHBondContact O-OG1 2.79Å; A24-T28 VanDerWaalsContact O-OG1 3.12Å; K25-T28 PolarHBondContact O-N 2.74Å; T28-N30 VanDerWaalsContact C-N 3.28Å; T28-N30 PolarHBondContact O-N 2.8Å
29L95.6Very high95.3Very high138 Ų13854.9 Ų54.972%0.72330%0.299SS*.Hα-helixtrans-69.2-30.1177.2-68.2172.4000112K25K25-L29 WeakPolarHBondContact O-CB 3.47Å; K25-L29 WeakPolarHBondContact O-CG 3.44Å; K25-L29 PolarHBondContact O-N 2.94Å
30N96.1Very high94.8Very high71 Ų7154.5 Ų54.538%0.3830%0.297SS..  trans45.251.3-179.9-168.625.9000115.2L26 T28 R64 R87L26-N30 WeakPolarHBondContact O-CA 3.49Å; L26-N30 PolarHBondContact O-N 3.3Å; T28-N30 VanDerWaalsContact C-N 3.28Å; T28-N30 PolarHBondContact O-N 2.8Å; N30-R64 PolarHBondContact O-NH2 3.21Å; N30-R64 PolarHBondContact OD1-NE 3.37Å; N30-R64 PolarHBondContact OD1-NH2 3.12Å; N30-R87 VanDerWaalsContact C-NH1 3.26Å; N30-R87 PolarHBondContact OD1-NH1 3.08Å; N30-R87 PolarHBondContact OD1-NH2 3.35Å
31P96.2Very high94.2Very high36 Ų3653.8 Ų53.823%0.23429%0.293CS..  trans-65.1143.6-174.629.5-36.3000112.5L26 I34 R87L26-P31 HydrophobicContact CD1-CG 3.46Å; L26-P31 VanDerWaalsContact CD1-CG 3.46Å; L26-P31 WeakPolarHBondContact O-CD 3.17Å; P31-I34 HydrophobicContact CG-CG1 4.44Å; P31-R87 PolarHBondContact O-NH1 3.39Å
32D96.7Very high93.7Very high99 Ų9955.6 Ų55.653%0.52930%0.299SS..SBendtrans-76.1-30.9170.5-61.9-67.9000112.2R64 R87 L88D32-R64 IonicContact OD1-CZ 3.5Å; D32-R64 IonicContact OD1-NH1 3.52Å; D32-R64 PolarHBondContact OD1-NH1 3.04Å; D32-R64 IonicContact OD1-NH2 2.7Å; D32-R64 PolarHBondContact OD1-NH2 3.16Å; D32-R64 IonicContact OD2-NH2 3.46Å; D32-R87 CarbonylContact O-C 3.56Å; D32-L88 PolarHBondContact O-N 3Å
33V95.9Very high93.4Very high48 Ų4853.6 Ų53.629%0.29129%0.292SS..EExtended strand (participates in β ladder)trans-124.8128.2-179.7-172.40000109.6L88 C90 L157V33-L88 CarbonylContact C-O 3.6Å; V33-L88 WeakPolarHBondContact CA-O 3.41Å; V33-L88 HydrophobicContact CG1-CB 4.42Å; V33-L88 HydrophobicContact CG2-CB 4.14Å; V33-L88 HydrophobicContact CG2-CD1 4.16Å; V33-C90 HydrophobicContact CG1-CB 3.8Å; V33-L157 HydrophobicContact CG1-CD2 4.08Å
34I95.3Very high93.2Very high36 Ų3654 Ų5419%0.18529%0.294CS..EExtended strand (participates in β ladder)trans-100.3120.7166.3-60.3175.1000106.9L26 P31 L39 V84 R87 L88 L89 C90L26-I34 HydrophobicContact CD1-CD1 4.2Å; L26-I34 HydrophobicContact CD1-CG1 4.43Å; L26-I34 HydrophobicContact CD2-CD1 4.43Å; P31-I34 HydrophobicContact CG-CG1 4.44Å; I34-L39 HydrophobicContact CG2-CD1 4.17Å; I34-V84 HydrophobicContact CD1-CG1 4.28Å; I34-R87 HydrophobicContact CD1-CB 4.37Å; I34-L88 PolarHBondContact N-O 3.26Å; I34-L89 HydrophobicContact CB-CD1 4.19Å; I34-L89 HydrophobicContact CG2-CD1 4.17Å; I34-C90 PolarHBondContact O-N 3.37Å
35L95.5Very high92.8Very high47 Ų4753 Ų5325%0.24628%0.284CS..EExtended strand (participates in β ladder)trans-118.2140.9-176.4-179.4152.7000110.8C90 I92 W148 C151L35-C90 WeakPolarHBondContact CA-O 3.32Å; L35-C90 HydrophobicContact CB-CB 4.07Å; L35-C90 HydrophobicContact CD1-CB 4.29Å; L35-C90 HydrophobicContact CG-CB 4.16Å; L35-I92 HydrophobicContact CD1-CD1 4.31Å; L35-I92 HydrophobicContact CD2-CD1 4.39Å; L35-I92 HydrophobicContact CD2-CG1 4.48Å; L35-I92 HydrophobicContact CG-CD1 4.17Å; L35-W148 HydrophobicContact CD1-CE3 3.94Å; L35-W148 HydrophobicContact CD1-CZ3 4.41Å; L35-W148 HydrophobicContact CD2-CB 4.4Å; L35-C151 HydrophobicContact CD1-CB 3.59Å; L35-C151 WeakPolarHBondContact CD1-SG 3.21Å
36G94.8Very high92.6Very high10 Ų1050.6 Ų50.610%0.10328%0.276CS..EExtended strand (participates in β ladder)trans178.6176.6176.200000111.7C90 D91 I92G36-C90 PolarHBondContact N-O 3.2Å; G36-C90 VanDerWaalsContact N-O 3.11Å; G36-D91 WeakPolarHBondContact O-CA 3.27Å; G36-I92 WeakPolarHBondContact O-CG1 3.46Å; G36-I92 PolarHBondContact O-N 3.39Å
37H94.1Very high92.5Very high44 Ų4451.6 Ų51.620%0.20428%0.281CS..SBendtrans-97.7139.1174.6179.2-87.7000110.4L39 Y105 S106 L107H37-L39 PolarHBondContact O-N 3.42Å; H37-L39 VanDerWaalsContact O-N 3.17Å; H37-Y105 PolarHBondContact NE2-O 3.31Å; H37-S106 VanDerWaalsContact NE2-C 3.35Å; H37-L107 HydrophobicContact CB-CB 4.41Å; H37-L107 HydrophobicContact CB-CD1 4.03Å; H37-L107 HydrophobicContact CB-CD2 4.48Å; H37-L107 PolarHBondContact CE1-N 3.4Å; H37-L107 PolarHBondContact NE2-N 3.02Å; H37-L107 VanDerWaalsContact NE2-N 3.19Å
38D90.7Very high92.4Very high24 Ų2447.2 Ų47.213%0.12826%0.261CS..SBendtrans54.534.3178.3-148-5000114.8I40 D41 F42 G43 D91 K93D38-I40 VanDerWaalsContact C-N 3.32Å; D38-I40 PolarHBondContact O-N 3.11Å; D38-D41 VanDerWaalsContact OD1-CB 3.31Å; D38-D41 WeakPolarHBondContact OD1-CB 3.42Å; D38-F42 PolarHBondContact O-N 3.4Å; D38-F42 VanDerWaalsContact O-N 3.15Å; D38-G43 PolarHBondContact O-N 3.48Å; D38-D91 PolarHBondContact N-OD1 2.94Å; D38-K93 HydrophobicContact CB-CD 4.02Å; D38-K93 WeakPolarHBondContact OD1-CD 3.45Å; D38-K93 IonicContact OD1-NZ 3.97Å; D38-K93 PolarHBondContact OD1-NZ 3.21Å; D38-K93 IonicContact OD2-NZ 3.19Å; D38-K93 PolarHBondContact OD2-NZ 3.22Å
39L92Very high92.2Very high31 Ų3146 Ų4616%0.16225%0.247CC..Iπ-helixtrans-67.3-34.8-178.8-66.5-177.6000112.1I34 H37 L44 L89 D91I34-L39 HydrophobicContact CG2-CD1 4.17Å; H37-L39 PolarHBondContact O-N 3.42Å; H37-L39 VanDerWaalsContact O-N 3.17Å; L39-L44 WeakPolarHBondContact O-CB 3.3Å; L39-L44 PolarHBondContact O-N 3.44Å; L39-L89 HydrophobicContact CB-CD1 4.15Å; L39-L89 HydrophobicContact CD1-CD1 3.59Å; L39-L89 HydrophobicContact CD1-CG 4.39Å; L39-D91 HydrophobicContact CB-CB 4.34Å
40I88.1Confident92.1Very high4 Ų443.3 Ų43.32%0.02123%0.227CC..Iπ-helixtrans-81.9-46.1-173.9-64.9173.7000110.9D38 K77 L80 L89 D91 M176D38-I40 VanDerWaalsContact C-N 3.32Å; D38-I40 PolarHBondContact O-N 3.11Å; I40-K77 HydrophobicContact CG2-CD 4.23Å; I40-K77 HydrophobicContact CG2-CG 3.81Å; I40-L80 HydrophobicContact CG2-CD1 4.19Å; I40-L80 WeakPolarHBondContact O-CD1 3.46Å; I40-L89 HydrophobicContact CD1-CD2 4.26Å; I40-L89 HydrophobicContact CG1-CD2 3.6Å; I40-D91 HydrophobicContact CD1-CB 3.83Å; I40-D91 HydrophobicContact CG1-CB 3.93Å; I40-M176 HydrophobicContact CD1-CE 4.44Å; I40-M176 HydrophobicContact CD1-CG 4.37Å
41D82.3Confident92Very high45 Ų4540.1 Ų40.124%0.24121%0.21CC..Iπ-helixtrans-87.3-18-173.5-50.6-42.6000112.2D38 Q530D38-D41 VanDerWaalsContact OD1-CB 3.31Å; D38-D41 WeakPolarHBondContact OD1-CB 3.42Å; D41-Q530 PolarHBondContact O-NE2 3.37Å; D41-Q530 VanDerWaalsContact O-NE2 3.17Å
42F86.5Confident91.9Very high87 Ų8743.1 Ų43.138%0.38222%0.224SC..Iπ-helixtrans-133.7-64.1177.9179.9-105.6000114.3D38 L44 F45 N46D38-F42 PolarHBondContact O-N 3.4Å; D38-F42 VanDerWaalsContact O-N 3.15Å; F42-L44 PolarHBondContact O-N 3.24Å; F42-F45 PolarHBondContact O-N 3.08Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.22Å; F42-N46 WeakPolarHBondContact O-CB 3.14Å; F42-N46 PolarHBondContact O-N 3.16Å
43G88.8Confident91.8Very high25 Ų2544.4 Ų44.426%0.25823%0.227SC..Iπ-helixtrans-59.7-52.2-160.200000114.8D38 F45 N46 L47D38-G43 PolarHBondContact O-N 3.48Å; G43-F45 PolarHBondContact O-N 3.39Å; G43-N46 PolarHBondContact O-N 2.9Å; G43-L47 WeakPolarHBondContact O-CB 3.44Å; G43-L47 PolarHBondContact O-N 3.41Å
44L91.3Very high91.7Very high10 Ų1045.7 Ų45.75%0.05223%0.227CC..Hα-helixtrans-68.3-37.7-177.2-173.760000111.9L39 F42 I48 L62 L80 V84 L89L39-L44 WeakPolarHBondContact O-CB 3.3Å; L39-L44 PolarHBondContact O-N 3.44Å; F42-L44 PolarHBondContact O-N 3.24Å; L44-I48 VanDerWaalsContact O-CG2 3.29Å; L44-I48 WeakPolarHBondContact O-CG2 3.32Å; L44-I48 PolarHBondContact O-N 3.04Å; L44-I48 VanDerWaalsContact O-N 3.14Å; L44-L62 HydrophobicContact CD1-CD1 4.13Å; L44-L62 HydrophobicContact CD1-CD2 3.83Å; L44-L62 HydrophobicContact CD1-CG 4.38Å; L44-L80 HydrophobicContact CD2-CB 4.14Å; L44-L80 HydrophobicContact CD2-CD2 4.41Å; L44-L80 HydrophobicContact CG-CD2 4.33Å; L44-V84 HydrophobicContact CD1-CG1 3.96Å; L44-V84 HydrophobicContact CD2-CG1 3.89Å; L44-L89 HydrophobicContact CD2-CD2 4.02Å
45F88.4Confident91.6Very high13 Ų1352 Ų526%0.05725%0.253CS..Hα-helixtrans-69-42.6178.8-176.5-86.4000111.8F42 G43 I48 Q49 L73 H75 L80F42-F45 PolarHBondContact O-N 3.08Å; G43-F45 PolarHBondContact O-N 3.39Å; F45-I48 WeakPolarHBondContact O-CG2 3.13Å; F45-Q49 HydrophobicContact CD1-CG 4.04Å; F45-Q49 HydrophobicContact CE1-CG 3.59Å; F45-Q49 HydrophobicContact CZ-CG 4.04Å; F45-Q49 WeakPolarHBondContact O-CG 3.46Å; F45-Q49 PolarHBondContact O-N 3.14Å; F45-L73 HydrophobicContact CD1-CD2 4.36Å; F45-L73 HydrophobicContact CD2-CD2 3.7Å; F45-L73 HydrophobicContact CD2-CG 3.88Å; F45-L73 HydrophobicContact CE1-CD2 3.93Å; F45-L73 HydrophobicContact CE2-CB 4.31Å; F45-L73 HydrophobicContact CE2-CD1 4.48Å; F45-L73 HydrophobicContact CE2-CD2 3.21Å; F45-L73 HydrophobicContact CE2-CG 3.38Å; F45-L73 HydrophobicContact CG-CD2 4.27Å; F45-L73 HydrophobicContact CZ-CD2 3.32Å; F45-L73 HydrophobicContact CZ-CG 3.96Å; F45-H75 AromaticContact CD1-CE1 2.92Å; F45-H75 WeakPolarHBondContact CD1-CE1 3.43Å; F45-H75 AromaticContact CD1-ND1 3.63Å; F45-H75 AromaticContact CD1-NE2 3.35Å; F45-H75 WeakPolarHBondContact CD1-NE2 3.47Å; F45-H75 AromaticContact CD2-CE1 3.38Å; F45-H75 WeakPolarHBondContact CD2-CE1 3.4Å; F45-H75 AromaticContact CD2-CG 3.61Å; F45-H75 AromaticContact CD2-ND1 3.13Å; F45-H75 WeakPolarHBondContact CD2-ND1 3.4Å; F45-H75 AromaticContact CD2-NE2 3.9Å; F45-H75 AromaticContact CE1-CD2 3.62Å; F45-H75 AromaticContact CE1-CE1 3.02Å; F45-H75 WeakPolarHBondContact CE1-CE1 3.43Å; F45-H75 AromaticContact CE1-ND1 3.8Å; F45-H75 AromaticContact CE1-NE2 2.85Å; F45-H75 WeakPolarHBondContact CE1-NE2 3.47Å; F45-H75 HydrophobicContact CE2-CB 4.23Å; F45-H75 AromaticContact CE2-CD2 3.36Å; F45-H75 WeakPolarHBondContact CE2-CD2 3.33Å; F45-H75 AromaticContact CE2-CE1 3.46Å; F45-H75 VanDerWaalsContact CE2-CE1 3.46Å; F45-H75 WeakPolarHBondContact CE2-CE1 3.25Å; F45-H75 AromaticContact CE2-CG 3.28Å; F45-H75 AromaticContact CE2-ND1 3.33Å; F45-H75 VanDerWaalsContact CE2-ND1 3.33Å; F45-H75 WeakPolarHBondContact CE2-ND1 3.33Å; F45-H75 AromaticContact CE2-NE2 3.48Å; F45-H75 WeakPolarHBondContact CE2-NE2 3.08Å; F45-H75 AromaticContact CG-CE1 3.09Å; F45-H75 WeakPolarHBondContact CG-CE1 3.02Å; F45-H75 AromaticContact CG-ND1 3.28Å; F45-H75 VanDerWaalsContact CG-ND1 3.28Å; F45-H75 WeakPolarHBondContact CG-ND1 3.31Å; F45-H75 AromaticContact CG-NE2 3.84Å; F45-H75 AromaticContact CZ-CD2 3.13Å; F45-H75 WeakPolarHBondContact CZ-CD2 3.45Å; F45-H75 AromaticContact CZ-CE1 3.31Å; F45-H75 WeakPolarHBondContact CZ-CE1 3.22Å; F45-H75 AromaticContact CZ-CG 3.59Å; F45-H75 AromaticContact CZ-ND1 3.68Å; F45-H75 AromaticContact CZ-NE2 2.94Å; F45-H75 WeakPolarHBondContact CZ-NE2 3.14Å; F45-L80 HydrophobicContact CB-CD2 4.08Å; F45-L80 HydrophobicContact CD2-CD2 4.19Å
46N89.9Confident91.5Very high56 Ų5650.2 Ų50.230%0.29924%0.244SC..Hα-helixtrans-63.5-49.1175.9-168.2-26.2000110.2F42 G43 I48 Q49 R50F42-N46 WeakPolarHBondContact CZ-ND2 3.22Å; F42-N46 WeakPolarHBondContact O-CB 3.14Å; F42-N46 PolarHBondContact O-N 3.16Å; G43-N46 PolarHBondContact O-N 2.9Å; N46-I48 VanDerWaalsContact C-N 3.29Å; N46-I48 PolarHBondContact O-N 3.36Å; N46-Q49 WeakPolarHBondContact O-CA 3.44Å; N46-Q49 WeakPolarHBondContact O-CB 3.14Å; N46-Q49 PolarHBondContact O-N 3.45Å; N46-R50 WeakPolarHBondContact O-CG 3.34Å; N46-R50 PolarHBondContact O-N 3.42Å; N46-R50 WeakPolarHBondContact OD1-CG 3.31Å
47L93.2Very high91.3Very high49 Ų4952.6 Ų52.626%0.25726%0.258SS..Hα-helixtrans-51.5-47.1178.4179.264.6000112.5L19 G43 R50 I51 L62L19-L47 HydrophobicContact CD2-CD1 3.47Å; L19-L47 VanDerWaalsContact CD2-CD1 3.47Å; G43-L47 WeakPolarHBondContact O-CB 3.44Å; G43-L47 PolarHBondContact O-N 3.41Å; L47-R50 PolarHBondContact O-N 3.1Å; L47-I51 HydrophobicContact CD1-CD1 4.36Å; L47-I51 HydrophobicContact CG-CD1 4.09Å; L47-I51 WeakPolarHBondContact O-CG1 3.37Å; L47-I51 PolarHBondContact O-N 3.37Å; L47-L62 HydrophobicContact CD2-CD1 4.34Å
48I92.3Very high91.2Very high0 Ų054.7 Ų54.70%027%0.27CS..Hα-helixtrans-73.5-30.1-178.7-163.470.6000112.6L44 F45 N46 I51 N52 W59 L62 L70 L73 L83L44-I48 VanDerWaalsContact O-CG2 3.29Å; L44-I48 WeakPolarHBondContact O-CG2 3.32Å; L44-I48 PolarHBondContact O-N 3.04Å; L44-I48 VanDerWaalsContact O-N 3.14Å; F45-I48 WeakPolarHBondContact O-CG2 3.13Å; N46-I48 VanDerWaalsContact C-N 3.29Å; N46-I48 PolarHBondContact O-N 3.36Å; I48-I51 HydrophobicContact CD1-CB 4.45Å; I48-I51 HydrophobicContact CD1-CD1 4.28Å; I48-I51 HydrophobicContact CD1-CG2 4.26Å; I48-N52 WeakPolarHBondContact O-CB 3.27Å; I48-N52 PolarHBondContact O-N 3.36Å; I48-W59 HydrophobicContact CD1-CE3 4.13Å; I48-L62 HydrophobicContact CD1-CD2 4.1Å; I48-L70 HydrophobicContact CD1-CD1 3.52Å; I48-L70 HydrophobicContact CG1-CD1 3.68Å; I48-L70 HydrophobicContact CG1-CD2 4.39Å; I48-L73 HydrophobicContact CB-CD1 4.25Å; I48-L73 HydrophobicContact CG1-CD1 3.99Å; I48-L73 HydrophobicContact CG2-CD1 3.26Å; I48-L73 HydrophobicContact CG2-CD2 3.8Å; I48-L73 HydrophobicContact CG2-CG 4.12Å; I48-L83 HydrophobicContact CB-CD1 4.27Å; I48-L83 HydrophobicContact CG1-CD1 4.03Å; I48-L83 HydrophobicContact CG1-CD2 4.35Å; I48-L83 HydrophobicContact CG2-CD1 3.98Å
49Q91.9Very high91.4Very high94 Ų9454.4 Ų54.444%0.43927%0.267SS..Hα-helixtrans-62.8-44.9169.1-77.9-165.8-34.400111.7F45 N46 N52 H53 L73F45-Q49 HydrophobicContact CD1-CG 4.04Å; F45-Q49 HydrophobicContact CE1-CG 3.59Å; F45-Q49 HydrophobicContact CZ-CG 4.04Å; F45-Q49 WeakPolarHBondContact O-CG 3.46Å; F45-Q49 PolarHBondContact O-N 3.14Å; N46-Q49 WeakPolarHBondContact O-CA 3.44Å; N46-Q49 WeakPolarHBondContact O-CB 3.14Å; N46-Q49 PolarHBondContact O-N 3.45Å; Q49-N52 PolarHBondContact O-N 2.74Å; Q49-H53 VanDerWaalsContact O-CB 3.31Å; Q49-H53 WeakPolarHBondContact O-CB 3.48Å; Q49-H53 PolarHBondContact O-N 3.49Å; Q49-L73 HydrophobicContact CB-CD2 4.39Å; Q49-L73 HydrophobicContact CG-CD2 3.24Å
50R94.5Very high91.5Very high81 Ų8153.6 Ų53.631%0.30626%0.264SS..Hα-helixtrans-64.3-43.2177.5-56.7-55.3-70.5175.8-6.1111.4E15 L19 N46 L47 N52 H53 Y54E15-R50 WeakPolarHBondContact OE1-CB 3.45Å; E15-R50 WeakPolarHBondContact OE1-CG 3.42Å; E15-R50 IonicContact OE1-CZ 2.74Å; E15-R50 IonicContact OE1-NE 3.24Å; E15-R50 PolarHBondContact OE1-NE 3.17Å; E15-R50 IonicContact OE1-NH2 3.46Å; E15-R50 PolarHBondContact OE1-NH2 3.19Å; E15-R50 IonicContact OE2-CZ 2.65Å; E15-R50 IonicContact OE2-NE 2.69Å; E15-R50 IonicContact OE2-NH2 2.71Å; E15-R50 PolarHBondContact OE2-NH2 3.11Å; L19-R50 HydrophobicContact CD1-CB 3.9Å; L19-R50 HydrophobicContact CD2-CB 4.48Å; N46-R50 WeakPolarHBondContact O-CG 3.34Å; N46-R50 PolarHBondContact O-N 3.42Å; N46-R50 WeakPolarHBondContact OD1-CG 3.31Å; L47-R50 PolarHBondContact O-N 3.1Å; R50-N52 VanDerWaalsContact C-N 3.31Å; R50-N52 PolarHBondContact O-N 3.41Å; R50-H53 PolarHBondContact O-N 2.86Å; R50-Y54 PolarHBondContact NH2-OH 3.48Å; R50-Y54 VanDerWaalsContact O-CD2 3.31Å; R50-Y54 WeakPolarHBondContact O-CD2 3.48Å; R50-Y54 PolarHBondContact O-N 3.18Å
51I94.3Very high91.8Very high4 Ų456.5 Ų56.52%0.02128%0.275CS..Hα-helixtrans-55.6-45.4172.9-76.5169.4000111.6L19 L23 L47 I48 K55 V56 W59L19-I51 HydrophobicContact CB-CG1 4.35Å; L19-I51 HydrophobicContact CD1-CG1 4.25Å; L19-I51 HydrophobicContact CD2-CG1 4.21Å; L23-I51 HydrophobicContact CD1-CD1 4.15Å; L23-I51 HydrophobicContact CD2-CD1 4.14Å; L23-I51 HydrophobicContact CG-CD1 4.37Å; L47-I51 HydrophobicContact CD1-CD1 4.36Å; L47-I51 HydrophobicContact CG-CD1 4.09Å; L47-I51 WeakPolarHBondContact O-CG1 3.37Å; L47-I51 PolarHBondContact O-N 3.37Å; I48-I51 HydrophobicContact CD1-CB 4.45Å; I48-I51 HydrophobicContact CD1-CD1 4.28Å; I48-I51 HydrophobicContact CD1-CG2 4.26Å; I51-K55 WeakPolarHBondContact O-CA 3.26Å; I51-K55 PolarHBondContact O-N 2.83Å; I51-V56 HydrophobicContact CG2-CB 4.18Å; I51-V56 PolarHBondContact O-N 3.46Å; I51-W59 HydrophobicContact CG2-CB 3.58Å
52N92.7Very high92.3Very high98 Ų9854.6 Ų54.652%0.52427%0.265SS..Hα-helixtrans-67.8-45.7178.4-171.846.6000111.9I48 Q49 R50 Y54 K55 L70I48-N52 WeakPolarHBondContact O-CB 3.27Å; I48-N52 PolarHBondContact O-N 3.36Å; Q49-N52 PolarHBondContact O-N 2.74Å; R50-N52 VanDerWaalsContact C-N 3.31Å; R50-N52 PolarHBondContact O-N 3.41Å; N52-Y54 PolarHBondContact O-N 3.42Å; N52-K55 PolarHBondContact O-N 3.31Å; N52-K55 VanDerWaalsContact O-N 3.11Å; N52-L70 HydrophobicContact CB-CD2 3.64Å
53H94.4Very high92.7Very high126 Ų12650.7 Ų50.758%0.58325%0.248SC*.Hα-helixtrans-58.3-49.1179.3-179.980.4000111.6Q49 R50 K55Q49-H53 VanDerWaalsContact O-CB 3.31Å; Q49-H53 WeakPolarHBondContact O-CB 3.48Å; Q49-H53 PolarHBondContact O-N 3.49Å; R50-H53 PolarHBondContact O-N 2.86Å; H53-K55 VanDerWaalsContact C-N 3.26Å; H53-K55 PolarHBondContact O-N 3.17Å
54Y95.6Very high93Very high75 Ų7554.3 Ų54.329%0.29425%0.254SS..THydrogen-bonded Turntrans-82.74177.8-70.2-70.3000114E15 R16 L19 R50 N52 V56E15-Y54 HydrophobicContact CB-CE2 4.09Å; E15-Y54 HydrophobicContact CG-CD2 4.3Å; E15-Y54 HydrophobicContact CG-CE2 3.95Å; E15-Y54 WeakPolarHBondContact OE2-CE2 3.24Å; E15-Y54 PolarHBondContact OE2-OH 3.08Å; R16-Y54 HydrophobicContact CB-CD1 4.46Å; R16-Y54 HydrophobicContact CB-CG 4.42Å; R16-Y54 PolarHBondContact NH1-O 3.09Å; L19-Y54 HydrophobicContact CD1-CD2 4.06Å; R50-Y54 PolarHBondContact NH2-OH 3.48Å; R50-Y54 VanDerWaalsContact O-CD2 3.31Å; R50-Y54 WeakPolarHBondContact O-CD2 3.48Å; R50-Y54 PolarHBondContact O-N 3.18Å; N52-Y54 PolarHBondContact O-N 3.42Å; Y54-V56 VanDerWaalsContact C-N 3.29Å; Y54-V56 PolarHBondContact O-N 3.27Å
55K93Very high93.1Very high170 Ų17057.1 Ų57.174%0.73927%0.271SS*.THydrogen-bonded Turntrans48.747.3-179.1-57.8179.8-178.61770112.7R16 I51 N52 H53R16-K55 PolarHBondContact NH1-O 2.98Å; I51-K55 WeakPolarHBondContact O-CA 3.26Å; I51-K55 PolarHBondContact O-N 2.83Å; N52-K55 PolarHBondContact O-N 3.31Å; N52-K55 VanDerWaalsContact O-N 3.11Å; H53-K55 VanDerWaalsContact C-N 3.26Å; H53-K55 PolarHBondContact O-N 3.17Å
56V93.6Very high93.3Very high8 Ų867.4 Ų67.45%0.04831%0.31CS..  trans-68.6126.4-178.8-178.90000108.9R16 L19 N20 L23 I51 Y54R16-V56 HydrophobicContact CG-CG2 4.16Å; L19-V56 HydrophobicContact CB-CG1 4.41Å; L19-V56 HydrophobicContact CB-CG2 3.82Å; L19-V56 HydrophobicContact CD1-CG2 3.87Å; N20-V56 HydrophobicContact CB-CG1 4.04Å; L23-V56 HydrophobicContact CD1-CG1 3.87Å; I51-V56 HydrophobicContact CG2-CB 4.18Å; I51-V56 PolarHBondContact O-N 3.46Å; Y54-V56 VanDerWaalsContact C-N 3.29Å; Y54-V56 PolarHBondContact O-N 3.27Å
57P90.3Very high93.3Very high61 Ų6168.7 Ų68.740%0.39631%0.31SS..THydrogen-bonded Turntrans-68.7161.5-179.530.3-36000111.3W59P57-W59 PolarHBondContact O-N 3.36Å
58N92.2Very high93.1Very high87 Ų8771.9 Ų71.947%0.46534%0.337SS..THydrogen-bonded Turntrans55.933.8174-55.1-48.2000114.4S60 R61N58-S60 PolarHBondContact O-N 2.72Å; N58-R61 HydrophobicContact CB-CG 4.1Å; N58-R61 VanDerWaalsContact O-CB 3.3Å; N58-R61 WeakPolarHBondContact O-CB 3.27Å; N58-R61 VanDerWaalsContact O-CG 3.23Å; N58-R61 WeakPolarHBondContact O-CG 3.34Å; N58-R61 PolarHBondContact O-N 3.34Å
59W93.3Very high92.8Very high18 Ų1877.1 Ų77.17%0.06837%0.369CS..G310 helixtrans-50-30.9176.772.1-93000112.8I48 I51 P57 R61 L62 R67 V69 L70 L83I48-W59 HydrophobicContact CD1-CE3 4.13Å; I51-W59 HydrophobicContact CG2-CB 3.58Å; P57-W59 PolarHBondContact O-N 3.36Å; W59-R61 PolarHBondContact O-N 2.83Å; W59-L62 VanDerWaalsContact O-CB 3.28Å; W59-L62 WeakPolarHBondContact O-CB 3.23Å; W59-L62 PolarHBondContact O-N 3.48Å; W59-R67 HydrophobicContact CH2-CB 3.94Å; W59-R67 HydrophobicContact CZ2-CB 3.58Å; W59-V69 VanDerWaalsContact CZ2-O 3.23Å; W59-V69 WeakPolarHBondContact CZ2-O 3.44Å; W59-L70 HydrophobicContact CD2-CB 4.34Å; W59-L70 HydrophobicContact CD2-CD1 3.47Å; W59-L70 VanDerWaalsContact CD2-CD1 3.47Å; W59-L70 HydrophobicContact CE3-CD1 3.44Å; W59-L70 VanDerWaalsContact CE3-CD1 3.44Å; W59-L70 HydrophobicContact CG-CD1 4.05Å; W59-L70 HydrophobicContact CH2-CD1 4.11Å; W59-L70 HydrophobicContact CZ2-CB 4.32Å; W59-L70 HydrophobicContact CZ2-CD1 4.17Å; W59-L70 HydrophobicContact CZ3-CD1 3.77Å; W59-L83 HydrophobicContact CH2-CD2 4.49Å; W59-L83 HydrophobicContact CZ3-CD2 3.89Å
60S94Very high92.5Very high14 Ų1474.4 Ų74.410%0.09836%0.357CS..G310 helixtrans-63.8-11.5-179.370.90000114N58 L62 S63 R67N58-S60 PolarHBondContact O-N 2.72Å; S60-L62 PolarHBondContact O-N 2.83Å; S60-S63 CarbonylContact O-C 3.54Å; S60-S63 WeakPolarHBondContact O-CA 3.27Å; S60-S63 PolarHBondContact O-N 3.04Å; S60-S63 PolarHBondContact O-OG 3.4Å; S60-R67 VanDerWaalsContact CB-N 3.34Å; S60-R67 WeakPolarHBondContact CB-O 3.4Å; S60-R67 PolarHBondContact OG-N 2.98Å
61R95.1Very high91.9Very high65 Ų6573.2 Ų73.225%0.24536%0.36CS..G310 helixtrans-56.8-22168.8-73.5173172.7169.5-1113.1L23 Q27 N58 W59 S63L23-R61 HydrophobicContact CB-CB 4.09Å; L23-R61 HydrophobicContact CD2-CB 4.27Å; Q27-R61 HydrophobicContact CB-CG 4.39Å; N58-R61 HydrophobicContact CB-CG 4.1Å; N58-R61 VanDerWaalsContact O-CB 3.3Å; N58-R61 WeakPolarHBondContact O-CB 3.27Å; N58-R61 VanDerWaalsContact O-CG 3.23Å; N58-R61 WeakPolarHBondContact O-CG 3.34Å; N58-R61 PolarHBondContact O-N 3.34Å; W59-R61 PolarHBondContact O-N 2.83Å; R61-S63 CarbonylContact C-O 3.58Å; R61-S63 PolarHBondContact O-N 3.45Å
62L93.5Very high91.2Very high6 Ų682.5 Ų82.53%0.03140%0.4CS..G310 helixtrans-57.8-30.6169.3-172.459.9000112.5L23 L26 L44 L47 I48 W59 S60 L83 V84 R87L23-L62 HydrophobicContact CD2-CB 4.13Å; L26-L62 HydrophobicContact CD2-CD1 3.95Å; L44-L62 HydrophobicContact CD1-CD1 4.13Å; L44-L62 HydrophobicContact CD1-CD2 3.83Å; L44-L62 HydrophobicContact CD1-CG 4.38Å; L47-L62 HydrophobicContact CD2-CD1 4.34Å; I48-L62 HydrophobicContact CD1-CD2 4.1Å; W59-L62 VanDerWaalsContact O-CB 3.28Å; W59-L62 WeakPolarHBondContact O-CB 3.23Å; W59-L62 PolarHBondContact O-N 3.48Å; S60-L62 PolarHBondContact O-N 2.83Å; L62-L83 HydrophobicContact CD2-CB 4.4Å; L62-V84 HydrophobicContact CD1-CG1 4.15Å; L62-V84 HydrophobicContact CD2-CG1 4.41Å; L62-V84 HydrophobicContact CG-CG1 3.87Å; L62-R87 WeakPolarHBondContact O-CD 3.09Å; L62-R87 PolarHBondContact O-NE 3.16Å
63S94.2Very high90.4Very high4 Ų480.6 Ų80.63%0.02839%0.39CS..SBendtrans-106.4-179.5175.180.60000111.5S60 R61 V65 L83 A85S60-S63 CarbonylContact O-C 3.54Å; S60-S63 WeakPolarHBondContact O-CA 3.27Å; S60-S63 PolarHBondContact O-N 3.04Å; S60-S63 PolarHBondContact O-OG 3.4Å; R61-S63 CarbonylContact C-O 3.58Å; R61-S63 PolarHBondContact O-N 3.45Å; S63-V65 PolarHBondContact OG-N 2.92Å; S63-V65 PolarHBondContact OG-O 3.08Å; S63-L83 WeakPolarHBondContact CB-O 3.41Å; S63-A85 WeakPolarHBondContact CB-O 3.3Å
64R94.7Very high89.4Confident102 Ų10280.1 Ų80.139%0.38539%0.389SS..SBendtrans-96.23.8165.3-69.3-174171.7161.9-3.4113.1N30 D32 A85 G86 R87N30-R64 PolarHBondContact O-NH2 3.21Å; N30-R64 PolarHBondContact OD1-NE 3.37Å; N30-R64 PolarHBondContact OD1-NH2 3.12Å; D32-R64 IonicContact OD1-CZ 3.5Å; D32-R64 IonicContact OD1-NH1 3.52Å; D32-R64 PolarHBondContact OD1-NH1 3.04Å; D32-R64 IonicContact OD1-NH2 2.7Å; D32-R64 PolarHBondContact OD1-NH2 3.16Å; D32-R64 IonicContact OD2-NH2 3.46Å; R64-A85 PolarHBondContact N-O 3.2Å; R64-G86 WeakPolarHBondContact CD-O 3.32Å; R64-R87 HydrophobicContact CG-CG 4.14Å
65V93.4Very high88.4Confident68 Ų6882.3 Ų82.341%0.41240%0.402SS..SBendtrans-109.7119-179.4-177.20000109.7S63 R67 A85S63-V65 PolarHBondContact OG-N 2.92Å; S63-V65 PolarHBondContact OG-O 3.08Å; V65-R67 HydrophobicContact CG1-CG 4.2Å; V65-R67 PolarHBondContact O-N 3.21Å; V65-A85 HydrophobicContact CG2-CB 4.29Å
66R92.9Very high87.7Confident229 Ų22977.3 Ų77.386%0.86439%0.385SS*.  trans-66.1126.4175.8-64.9-176.4-177.7-177.11.8109.7
67R90.9Very high87Confident83 Ų8380.9 Ų80.931%0.31340%0.4SS..  trans-138.7133.5179-65.2-177.3-173.9160.37.4109.5W59 S60 V65 D82W59-R67 HydrophobicContact CH2-CB 3.94Å; W59-R67 HydrophobicContact CZ2-CB 3.58Å; S60-R67 VanDerWaalsContact CB-N 3.34Å; S60-R67 WeakPolarHBondContact CB-O 3.4Å; S60-R67 PolarHBondContact OG-N 2.98Å; V65-R67 HydrophobicContact CG1-CG 4.2Å; V65-R67 PolarHBondContact O-N 3.21Å; R67-D82 PolarHBondContact NH1-O 3.28Å; R67-D82 PolarHBondContact NH2-O 3Å; R67-D82 VanDerWaalsContact NH2-O 3.14Å
68S87.6Confident86.5Confident116 Ų11679.5 Ų79.581%0.81140%0.397SS*.SBendtrans-79.1-45.8178.648.60000111.7
69V86.9Confident86.2Confident111 Ų11176.7 Ų76.767%0.67339%0.386SS*.SBendtrans-101.5122.9-172.6-176.80000110.9W59W59-V69 VanDerWaalsContact CZ2-O 3.23Å; W59-V69 WeakPolarHBondContact CZ2-O 3.44Å
70L85Confident85.7Confident36 Ų3676 Ų7619%0.18838%0.383CS..PPolyproline II helixtrans-64.3123.8169.7-174.873.9000109.2I48 N52 W59 L83I48-L70 HydrophobicContact CD1-CD1 3.52Å; I48-L70 HydrophobicContact CG1-CD1 3.68Å; I48-L70 HydrophobicContact CG1-CD2 4.39Å; N52-L70 HydrophobicContact CB-CD2 3.64Å; W59-L70 HydrophobicContact CD2-CB 4.34Å; W59-L70 HydrophobicContact CD2-CD1 3.47Å; W59-L70 VanDerWaalsContact CD2-CD1 3.47Å; W59-L70 HydrophobicContact CE3-CD1 3.44Å; W59-L70 VanDerWaalsContact CE3-CD1 3.44Å; W59-L70 HydrophobicContact CG-CD1 4.05Å; W59-L70 HydrophobicContact CH2-CD1 4.11Å; W59-L70 HydrophobicContact CZ2-CB 4.32Å; W59-L70 HydrophobicContact CZ2-CD1 4.17Å; W59-L70 HydrophobicContact CZ3-CD1 3.77Å; L70-L83 HydrophobicContact CD1-CD2 4.29Å
71P81.5Confident85.4Confident56 Ų5678.3 Ų78.336%0.36439%0.39SS..PPolyproline II helixtrans-63.4151.917826.6-33.8000110.7L73 L83P71-L73 PolarHBondContact O-N 2.91Å; P71-L73 VanDerWaalsContact O-N 3.14Å; P71-L83 HydrophobicContact CG-CD2 3.66Å
72K81.3Confident85.1Confident200 Ų20078.5 Ų78.587%0.8740%0.396SS*.PPolyproline II helixtrans-54.5124.1173.1-74.9-173.5179.2-179.10109M74K72-M74 PolarHBondContact O-N 3.4Å; K72-M74 VanDerWaalsContact O-N 3.08Å
73L74.8Confident85Confident58 Ų5878.4 Ų78.430%0.30440%0.395SS..  trans-71.9109.9-169.8-154.573.1000110.5F45 I48 Q49 P71 L83F45-L73 HydrophobicContact CD1-CD2 4.36Å; F45-L73 HydrophobicContact CD2-CD2 3.7Å; F45-L73 HydrophobicContact CD2-CG 3.88Å; F45-L73 HydrophobicContact CE1-CD2 3.93Å; F45-L73 HydrophobicContact CE2-CB 4.31Å; F45-L73 HydrophobicContact CE2-CD1 4.48Å; F45-L73 HydrophobicContact CE2-CD2 3.21Å; F45-L73 HydrophobicContact CE2-CG 3.38Å; F45-L73 HydrophobicContact CG-CD2 4.27Å; F45-L73 HydrophobicContact CZ-CD2 3.32Å; F45-L73 HydrophobicContact CZ-CG 3.96Å; I48-L73 HydrophobicContact CB-CD1 4.25Å; I48-L73 HydrophobicContact CG1-CD1 3.99Å; I48-L73 HydrophobicContact CG2-CD1 3.26Å; I48-L73 HydrophobicContact CG2-CD2 3.8Å; I48-L73 HydrophobicContact CG2-CG 4.12Å; Q49-L73 HydrophobicContact CB-CD2 4.39Å; Q49-L73 HydrophobicContact CG-CD2 3.24Å; P71-L73 PolarHBondContact O-N 2.91Å; P71-L73 VanDerWaalsContact O-N 3.14Å; L73-L83 HydrophobicContact CD1-CD1 4.19Å
74M73.9Confident85Confident115 Ų11578.2 Ų78.257%0.56739%0.394SS*.  trans-110.8126.8175.3-65.4-173.271.900109K72 T76 A79K72-M74 PolarHBondContact O-N 3.4Å; K72-M74 VanDerWaalsContact O-N 3.08Å; M74-T76 HydrophobicContact CB-CG2 4.46Å; M74-T76 HydrophobicContact CE-CG2 4.5Å; M74-T76 PolarHBondContact O-N 3.13Å; M74-A79 HydrophobicContact CB-CB 4.01Å
75H75Confident84.9Confident122 Ų12274.4 Ų74.457%0.56539%0.385SS*.  trans-70.358.9170.8-88-68000111.8F45F45-H75 AromaticContact CD1-CE1 2.92Å; F45-H75 WeakPolarHBondContact CD1-CE1 3.43Å; F45-H75 AromaticContact CD1-ND1 3.63Å; F45-H75 AromaticContact CD1-NE2 3.35Å; F45-H75 WeakPolarHBondContact CD1-NE2 3.47Å; F45-H75 AromaticContact CD2-CE1 3.38Å; F45-H75 WeakPolarHBondContact CD2-CE1 3.4Å; F45-H75 AromaticContact CD2-CG 3.61Å; F45-H75 AromaticContact CD2-ND1 3.13Å; F45-H75 WeakPolarHBondContact CD2-ND1 3.4Å; F45-H75 AromaticContact CD2-NE2 3.9Å; F45-H75 AromaticContact CE1-CD2 3.62Å; F45-H75 AromaticContact CE1-CE1 3.02Å; F45-H75 WeakPolarHBondContact CE1-CE1 3.43Å; F45-H75 AromaticContact CE1-ND1 3.8Å; F45-H75 AromaticContact CE1-NE2 2.85Å; F45-H75 WeakPolarHBondContact CE1-NE2 3.47Å; F45-H75 HydrophobicContact CE2-CB 4.23Å; F45-H75 AromaticContact CE2-CD2 3.36Å; F45-H75 WeakPolarHBondContact CE2-CD2 3.33Å; F45-H75 AromaticContact CE2-CE1 3.46Å; F45-H75 VanDerWaalsContact CE2-CE1 3.46Å; F45-H75 WeakPolarHBondContact CE2-CE1 3.25Å; F45-H75 AromaticContact CE2-CG 3.28Å; F45-H75 AromaticContact CE2-ND1 3.33Å; F45-H75 VanDerWaalsContact CE2-ND1 3.33Å; F45-H75 WeakPolarHBondContact CE2-ND1 3.33Å; F45-H75 AromaticContact CE2-NE2 3.48Å; F45-H75 WeakPolarHBondContact CE2-NE2 3.08Å; F45-H75 AromaticContact CG-CE1 3.09Å; F45-H75 WeakPolarHBondContact CG-CE1 3.02Å; F45-H75 AromaticContact CG-ND1 3.28Å; F45-H75 VanDerWaalsContact CG-ND1 3.28Å; F45-H75 WeakPolarHBondContact CG-ND1 3.31Å; F45-H75 AromaticContact CG-NE2 3.84Å; F45-H75 AromaticContact CZ-CD2 3.13Å; F45-H75 WeakPolarHBondContact CZ-CD2 3.45Å; F45-H75 AromaticContact CZ-CE1 3.31Å; F45-H75 WeakPolarHBondContact CZ-CE1 3.22Å; F45-H75 AromaticContact CZ-CG 3.59Å; F45-H75 AromaticContact CZ-ND1 3.68Å; F45-H75 AromaticContact CZ-NE2 2.94Å; F45-H75 WeakPolarHBondContact CZ-NE2 3.14Å
76T77.6Confident85Confident65 Ų6573.7 Ų73.740%0.39939%0.391SS..SBendtrans-128.3140.7175.365.70000109.2M74 G78 A79 L80M74-T76 HydrophobicContact CB-CG2 4.46Å; M74-T76 HydrophobicContact CE-CG2 4.5Å; M74-T76 PolarHBondContact O-N 3.13Å; T76-G78 PolarHBondContact O-N 3.21Å; T76-G78 VanDerWaalsContact O-N 3.15Å; T76-A79 PolarHBondContact O-N 3.36Å; T76-A79 VanDerWaalsContact O-N 3.07Å; T76-A79 WeakPolarHBondContact OG1-CB 3.07Å; T76-A79 PolarHBondContact OG1-N 3.02Å; T76-L80 PolarHBondContact O-N 3.46Å; T76-L80 VanDerWaalsContact O-N 3.07Å
77K78.9Confident85.1Confident83 Ų8363.4 Ų63.436%0.36135%0.352SS..Hα-helixtrans-47-46.8177-65.7-157.5173-164.70111.7I40 L80 R81 M176I40-K77 HydrophobicContact CG2-CD 4.23Å; I40-K77 HydrophobicContact CG2-CG 3.81Å; K77-L80 PolarHBondContact O-N 2.72Å; K77-R81 PolarHBondContact O-N 2.8Å; K77-M176 VanDerWaalsContact C-CE 3.43Å; K77-M176 HydrophobicContact CB-CE 3.57Å; K77-M176 WeakPolarHBondContact O-CE 3.42Å
78G80.4Confident85.3Confident31 Ų3161.4 Ų61.432%0.3235%0.347SS..Hα-helixtrans-60-47.7179.300000113.9T76 L80 R81 D82T76-G78 PolarHBondContact O-N 3.21Å; T76-G78 VanDerWaalsContact O-N 3.15Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.27Å; G78-R81 WeakPolarHBondContact O-CB 2.89Å; G78-R81 PolarHBondContact O-N 3.31Å; G78-D82 VanDerWaalsContact O-CG 3.26Å; G78-D82 PolarHBondContact O-N 2.97Å; G78-D82 VanDerWaalsContact O-N 3.09Å
79A84.3Confident85.6Confident29 Ų2956.2 Ų56.224%0.2431%0.311CS..Hα-helixtrans-63.5-40.7178.900000112M74 T76 D82 L83M74-A79 HydrophobicContact CB-CB 4.01Å; T76-A79 PolarHBondContact O-N 3.36Å; T76-A79 VanDerWaalsContact O-N 3.07Å; T76-A79 WeakPolarHBondContact OG1-CB 3.07Å; T76-A79 PolarHBondContact OG1-N 3.02Å; A79-D82 PolarHBondContact O-N 3.11Å; A79-L83 PolarHBondContact O-N 2.99Å
80L84.5Confident86Confident3 Ų351 Ų512%0.01628%0.278CS..Hα-helixtrans-65.1-41.7176.9-70177.7000112.4I40 L44 F45 T76 K77 G78 D82 L83I40-L80 HydrophobicContact CG2-CD1 4.19Å; I40-L80 WeakPolarHBondContact O-CD1 3.46Å; L44-L80 HydrophobicContact CD2-CB 4.14Å; L44-L80 HydrophobicContact CD2-CD2 4.41Å; L44-L80 HydrophobicContact CG-CD2 4.33Å; F45-L80 HydrophobicContact CB-CD2 4.08Å; F45-L80 HydrophobicContact CD2-CD2 4.19Å; T76-L80 PolarHBondContact O-N 3.46Å; T76-L80 VanDerWaalsContact O-N 3.07Å; K77-L80 PolarHBondContact O-N 2.72Å; G78-L80 VanDerWaalsContact C-N 3.34Å; G78-L80 PolarHBondContact O-N 3.27Å; L80-D82 VanDerWaalsContact C-N 3.25Å; L80-D82 PolarHBondContact O-N 2.93Å; L80-L83 HydrophobicContact CD2-CD1 3.88Å; L80-L83 WeakPolarHBondContact O-CB 3.04Å; L80-L83 PolarHBondContact O-N 3Å; L80-L83 VanDerWaalsContact O-N 3.15Å
81R87.2Confident86.4Confident63 Ų6349.2 Ų49.224%0.23827%0.27CS..Hα-helixtrans-57.7-41.3172.5-171.4-160.465.2-159.7-6111.6K77 G78 L83 V84 A85 K173 M176K77-R81 PolarHBondContact O-N 2.8Å; G78-R81 WeakPolarHBondContact O-CB 2.89Å; G78-R81 PolarHBondContact O-N 3.31Å; R81-L83 PolarHBondContact O-N 3.22Å; R81-V84 CarbonylContact O-C 3.59Å; R81-V84 WeakPolarHBondContact O-CG2 3.19Å; R81-V84 PolarHBondContact O-N 3.11Å; R81-A85 PolarHBondContact O-N 3.18Å; R81-K173 VanDerWaalsContact NH1-CE 3.28Å; R81-M176 HydrophobicContact CB-CE 3.77Å; R81-M176 HydrophobicContact CB-SD 3.64Å; R81-M176 HydrophobicContact CG-CE 4.43Å; R81-M176 HydrophobicContact CG-SD 3.64Å
82D88.8Confident87.1Confident69 Ų6946.6 Ų46.637%0.36925%0.252SS..Hα-helixtrans-70-22.3-178.1-65.3-13.5000112.1R67 G78 A79 L80 V84 A85R67-D82 PolarHBondContact NH1-O 3.28Å; R67-D82 PolarHBondContact NH2-O 3Å; R67-D82 VanDerWaalsContact NH2-O 3.14Å; G78-D82 VanDerWaalsContact O-CG 3.26Å; G78-D82 PolarHBondContact O-N 2.97Å; G78-D82 VanDerWaalsContact O-N 3.09Å; A79-D82 PolarHBondContact O-N 3.11Å; L80-D82 VanDerWaalsContact C-N 3.25Å; L80-D82 PolarHBondContact O-N 2.93Å; D82-V84 VanDerWaalsContact C-N 3.34Å; D82-A85 WeakPolarHBondContact O-CB 3.42Å
83L91.2Very high87.7Confident3 Ų337.5 Ų37.52%0.01621%0.213CC..Hα-helixtrans-69.4-29172.7-68173.6000113.3I48 W59 L62 S63 L70 P71 L73 A79 L80 R81I48-L83 HydrophobicContact CB-CD1 4.27Å; I48-L83 HydrophobicContact CG1-CD1 4.03Å; I48-L83 HydrophobicContact CG1-CD2 4.35Å; I48-L83 HydrophobicContact CG2-CD1 3.98Å; W59-L83 HydrophobicContact CH2-CD2 4.49Å; W59-L83 HydrophobicContact CZ3-CD2 3.89Å; L62-L83 HydrophobicContact CD2-CB 4.4Å; S63-L83 WeakPolarHBondContact CB-O 3.41Å; L70-L83 HydrophobicContact CD1-CD2 4.29Å; P71-L83 HydrophobicContact CG-CD2 3.66Å; L73-L83 HydrophobicContact CD1-CD1 4.19Å; A79-L83 PolarHBondContact O-N 2.99Å; L80-L83 HydrophobicContact CD2-CD1 3.88Å; L80-L83 WeakPolarHBondContact O-CB 3.04Å; L80-L83 PolarHBondContact O-N 3Å; L80-L83 VanDerWaalsContact O-N 3.15Å; R81-L83 PolarHBondContact O-N 3.22Å
84V93.2Very high88.5Confident1 Ų135 Ų351%0.00620%0.2CC..THydrogen-bonded Turntrans-105.421.9178.2-670000111.8I34 L44 L62 R81 D82 G86 R87 L89I34-V84 HydrophobicContact CD1-CG1 4.28Å; L44-V84 HydrophobicContact CD1-CG1 3.96Å; L44-V84 HydrophobicContact CD2-CG1 3.89Å; L62-V84 HydrophobicContact CD1-CG1 4.15Å; L62-V84 HydrophobicContact CD2-CG1 4.41Å; L62-V84 HydrophobicContact CG-CG1 3.87Å; R81-V84 CarbonylContact O-C 3.59Å; R81-V84 WeakPolarHBondContact O-CG2 3.19Å; R81-V84 PolarHBondContact O-N 3.11Å; D82-V84 VanDerWaalsContact C-N 3.34Å; V84-G86 PolarHBondContact O-N 3.47Å; V84-R87 WeakPolarHBondContact O-CA 2.92Å; V84-R87 WeakPolarHBondContact O-CB 3.31Å; V84-R87 PolarHBondContact O-N 3Å; V84-L89 HydrophobicContact CG2-CB 4.42Å
85A93.4Very high89.4Confident22 Ų2229.6 Ų29.618%0.18217%0.173CC..THydrogen-bonded Turntrans-48.6128.4-175.200000112.9S63 R64 V65 R81 D82S63-A85 WeakPolarHBondContact CB-O 3.3Å; R64-A85 PolarHBondContact N-O 3.2Å; V65-A85 HydrophobicContact CG2-CB 4.29Å; R81-A85 PolarHBondContact O-N 3.18Å; D82-A85 WeakPolarHBondContact O-CB 3.42Å
86G94.8Very high90.3Very high53 Ų5323.8 Ų23.855%0.54615%0.146SC..THydrogen-bonded Turntrans88.8-4-174.300000114.9R64 V84R64-G86 WeakPolarHBondContact CD-O 3.32Å; V84-G86 PolarHBondContact O-N 3.47Å
87R95.6Very high90.9Very high13 Ų1324 Ų245%0.04914%0.144CC..SBendtrans-119.7140.2168.2-51.8-175.9-171.1-740.3109.3N30 P31 D32 I34 L62 R64 V84N30-R87 VanDerWaalsContact C-NH1 3.26Å; N30-R87 PolarHBondContact OD1-NH1 3.08Å; N30-R87 PolarHBondContact OD1-NH2 3.35Å; P31-R87 PolarHBondContact O-NH1 3.39Å; D32-R87 CarbonylContact O-C 3.56Å; I34-R87 HydrophobicContact CD1-CB 4.37Å; L62-R87 WeakPolarHBondContact O-CD 3.09Å; L62-R87 PolarHBondContact O-NE 3.16Å; R64-R87 HydrophobicContact CG-CG 4.14Å; V84-R87 WeakPolarHBondContact O-CA 2.92Å; V84-R87 WeakPolarHBondContact O-CB 3.31Å; V84-R87 PolarHBondContact O-N 3Å
88L95Very high91.4Very high40 Ų4021.3 Ų21.321%0.20913%0.132CC..EExtended strand (participates in β ladder)trans-79.9140174.5-60.6178.4000109.5D32 V33 I34 M171 M175D32-L88 PolarHBondContact O-N 3Å; V33-L88 CarbonylContact C-O 3.6Å; V33-L88 WeakPolarHBondContact CA-O 3.41Å; V33-L88 HydrophobicContact CG1-CB 4.42Å; V33-L88 HydrophobicContact CG2-CB 4.14Å; V33-L88 HydrophobicContact CG2-CD1 4.16Å; I34-L88 PolarHBondContact N-O 3.26Å; L88-M171 HydrophobicContact CD1-CE 4.27Å; L88-M171 HydrophobicContact CD1-CG 4.21Å; L88-M171 HydrophobicContact CD1-SD 3.75Å; L88-M171 HydrophobicContact CD2-CB 4.26Å; L88-M175 HydrophobicContact CB-SD 4.1Å; L88-M175 HydrophobicContact CD1-SD 4.29Å
89L94Very high91.9Very high8 Ų822.1 Ų22.14%0.04213%0.127CC..EExtended strand (participates in β ladder)trans-108.6112.5177.2-169.367.6000109.2I34 L39 I40 L44 V84I34-L89 HydrophobicContact CB-CD1 4.19Å; I34-L89 HydrophobicContact CG2-CD1 4.17Å; L39-L89 HydrophobicContact CB-CD1 4.15Å; L39-L89 HydrophobicContact CD1-CD1 3.59Å; L39-L89 HydrophobicContact CD1-CG 4.39Å; I40-L89 HydrophobicContact CD1-CD2 4.26Å; I40-L89 HydrophobicContact CG1-CD2 3.6Å; L44-L89 HydrophobicContact CD2-CD2 4.02Å; V84-L89 HydrophobicContact CG2-CB 4.42Å
90C94.9Very high92.1Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-100.990.9176.5-166.10000109.6V33 I34 L35 G36 M95 L157 M175V33-C90 HydrophobicContact CG1-CB 3.8Å; I34-C90 PolarHBondContact O-N 3.37Å; L35-C90 WeakPolarHBondContact CA-O 3.32Å; L35-C90 HydrophobicContact CB-CB 4.07Å; L35-C90 HydrophobicContact CD1-CB 4.29Å; L35-C90 HydrophobicContact CG-CB 4.16Å; G36-C90 PolarHBondContact N-O 3.2Å; G36-C90 VanDerWaalsContact N-O 3.11Å; C90-M95 PolarHBondContact SG-SD 3.49Å; C90-L157 HydrophobicContact CB-CD2 4.2Å; C90-M175 VanDerWaalsContact CA-CE 3.46Å; C90-M175 HydrophobicContact CB-CE 3.37Å
91D95Very high92.1Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-92.4109.6174.6172.722.3000110.5G36 D38 L39 I40 K93 T94 M95G36-D91 WeakPolarHBondContact O-CA 3.27Å; D38-D91 PolarHBondContact N-OD1 2.94Å; L39-D91 HydrophobicContact CB-CB 4.34Å; I40-D91 HydrophobicContact CD1-CB 3.83Å; I40-D91 HydrophobicContact CG1-CB 3.93Å; D91-K93 VanDerWaalsContact C-N 3.25Å; D91-K93 PolarHBondContact O-N 3.23Å; D91-K93 WeakPolarHBondContact OD1-CB 3.47Å; D91-K93 PolarHBondContact OD1-N 2.9Å; D91-K93 VanDerWaalsContact OD1-N 3.13Å; D91-T94 PolarHBondContact O-N 3.31Å; D91-T94 VanDerWaalsContact OD2-CB 3.29Å; D91-T94 WeakPolarHBondContact OD2-CB 3.16Å; D91-T94 PolarHBondContact OD2-N 2.92Å; D91-T94 PolarHBondContact OD2-OG1 3.24Å; D91-M95 WeakPolarHBondContact O-CG 3.39Å; D91-M95 PolarHBondContact O-N 3.31Å
92I95.4Very high91.8Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-59-37.2-176.7-56.3-50.7000111.5L35 G36 M95 A96 L110 I150 C151 F156L35-I92 HydrophobicContact CD1-CD1 4.31Å; L35-I92 HydrophobicContact CD2-CD1 4.39Å; L35-I92 HydrophobicContact CD2-CG1 4.48Å; L35-I92 HydrophobicContact CG-CD1 4.17Å; G36-I92 WeakPolarHBondContact O-CG1 3.46Å; G36-I92 PolarHBondContact O-N 3.39Å; I92-M95 PolarHBondContact O-N 2.97Å; I92-A96 WeakPolarHBondContact O-CB 3.22Å; I92-A96 PolarHBondContact O-N 3.2Å; I92-L110 HydrophobicContact CG2-CD1 3.96Å; I92-I150 HydrophobicContact CG2-CB 4.24Å; I92-I150 HydrophobicContact CG2-CG2 3.6Å; I92-C151 HydrophobicContact CD1-CB 3.58Å; I92-F156 HydrophobicContact CD1-CD2 4.03Å; I92-F156 HydrophobicContact CD1-CE2 4.38Å; I92-F156 HydrophobicContact CG2-CE2 4.2Å
93K93.1Very high91.1Very high10 Ų1035.1 Ų35.14%0.04318%0.175CC..Hα-helixtrans-61.9-52.4178.3-173.9-177.9-174.1-179.60110.4D38 D91 M95 A96 M97 D533D38-K93 HydrophobicContact CB-CD 4.02Å; D38-K93 WeakPolarHBondContact OD1-CD 3.45Å; D38-K93 IonicContact OD1-NZ 3.97Å; D38-K93 PolarHBondContact OD1-NZ 3.21Å; D38-K93 IonicContact OD2-NZ 3.19Å; D38-K93 PolarHBondContact OD2-NZ 3.22Å; D91-K93 VanDerWaalsContact C-N 3.25Å; D91-K93 PolarHBondContact O-N 3.23Å; D91-K93 WeakPolarHBondContact OD1-CB 3.47Å; D91-K93 PolarHBondContact OD1-N 2.9Å; D91-K93 VanDerWaalsContact OD1-N 3.13Å; K93-M95 PolarHBondContact O-N 2.85Å; K93-A96 PolarHBondContact O-N 3.42Å; K93-M97 HydrophobicContact CG-CE 4.21Å; K93-M97 WeakPolarHBondContact O-CG 3.34Å; K93-M97 PolarHBondContact O-N 3.32Å; K93-D533 IonicContact NZ-OD1 2.65Å; K93-D533 PolarHBondContact NZ-OD1 3.27Å
94T91.8Very high90.6Very high5 Ų535.1 Ų35.13%0.03118%0.175CC..Hα-helixtrans-60.8-43.3178.5-68.80000112.4D91 E98D91-T94 PolarHBondContact O-N 3.31Å; D91-T94 VanDerWaalsContact OD2-CB 3.29Å; D91-T94 WeakPolarHBondContact OD2-CB 3.16Å; D91-T94 PolarHBondContact OD2-N 2.92Å; D91-T94 PolarHBondContact OD2-OG1 3.24Å; T94-E98 PolarHBondContact O-N 3.35Å
95M93.9Very high90.4Very high1 Ų136.8 Ų36.81%0.00518%0.181CC..Hα-helixtrans-71.2-40.4-179-65-168.576.400112.2C90 D91 I92 K93 M97 E98 F99 F156 S160 M175C90-M95 PolarHBondContact SG-SD 3.49Å; D91-M95 WeakPolarHBondContact O-CG 3.39Å; D91-M95 PolarHBondContact O-N 3.31Å; I92-M95 PolarHBondContact O-N 2.97Å; K93-M95 PolarHBondContact O-N 2.85Å; M95-M97 PolarHBondContact O-N 2.95Å; M95-E98 PolarHBondContact O-N 3.06Å; M95-E98 VanDerWaalsContact O-N 3.09Å; M95-F99 HydrophobicContact CB-CD2 4.42Å; M95-F99 HydrophobicContact CE-CE2 3.98Å; M95-F99 WeakPolarHBondContact O-CD2 3.36Å; M95-F99 PolarHBondContact O-N 3.24Å; M95-F156 HydrophobicContact CB-CD1 4.23Å; M95-F156 HydrophobicContact CB-CD2 3.54Å; M95-F156 HydrophobicContact CB-CE1 4.17Å; M95-F156 HydrophobicContact CB-CE2 3.48Å; M95-F156 VanDerWaalsContact CB-CE2 3.48Å; M95-F156 HydrophobicContact CB-CG 3.93Å; M95-F156 HydrophobicContact CB-CZ 3.81Å; M95-F156 HydrophobicContact CE-CB 3.38Å; M95-F156 HydrophobicContact CE-CD1 4.21Å; M95-F156 HydrophobicContact CE-CD2 4.28Å; M95-F156 HydrophobicContact CE-CG 3.72Å; M95-F156 WeakPolarHBondContact CE-O 3.37Å; M95-F156 HydrophobicContact CG-CD2 4.33Å; M95-F156 HydrophobicContact SD-CB 3.79Å; M95-F156 HydrophobicContact SD-CD2 3.95Å; M95-F156 HydrophobicContact SD-CG 3.99Å; M95-S160 WeakPolarHBondContact CE-OG 3.42Å; M95-M175 HydrophobicContact SD-CE 4.36Å
96A93.9Very high90.1Very high0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-61.9-43.8175.500000111.7I92 K93 E98 F99 I100 Y105 L110 F156I92-A96 WeakPolarHBondContact O-CB 3.22Å; I92-A96 PolarHBondContact O-N 3.2Å; K93-A96 PolarHBondContact O-N 3.42Å; A96-E98 PolarHBondContact O-N 2.9Å; A96-E98 VanDerWaalsContact O-N 3.13Å; A96-F99 PolarHBondContact O-N 3Å; A96-I100 HydrophobicContact CB-CD1 3.95Å; A96-I100 HydrophobicContact CB-CG1 3.88Å; A96-I100 WeakPolarHBondContact O-CG1 3.45Å; A96-I100 PolarHBondContact O-N 3.13Å; A96-Y105 VanDerWaalsContact C-CE1 3.44Å; A96-Y105 HydrophobicContact CB-CD1 3.76Å; A96-Y105 HydrophobicContact CB-CE1 4.05Å; A96-Y105 WeakPolarHBondContact O-CE1 3.38Å; A96-L110 HydrophobicContact CB-CD1 3.91Å; A96-L110 HydrophobicContact CB-CD2 3.69Å; A96-L110 HydrophobicContact CB-CG 4.49Å; A96-F156 HydrophobicContact CB-CZ 4.13Å
97M90.2Very high90Very high70 Ų7035.6 Ų35.635%0.34516%0.163SC..Hα-helixtrans-58.4-26.2174.5-75.7-170.1-67.600113.6K93 M95 Y105K93-M97 HydrophobicContact CG-CE 4.21Å; K93-M97 WeakPolarHBondContact O-CG 3.34Å; K93-M97 PolarHBondContact O-N 3.32Å; M95-M97 PolarHBondContact O-N 2.95Å; M97-Y105 VanDerWaalsContact CA-CE1 3.47Å; M97-Y105 HydrophobicContact CB-CD1 4.46Å; M97-Y105 HydrophobicContact CB-CE1 4.29Å; M97-Y105 HydrophobicContact CG-CD1 3.69Å; M97-Y105 HydrophobicContact CG-CD2 3.66Å; M97-Y105 HydrophobicContact CG-CE1 3.89Å; M97-Y105 HydrophobicContact CG-CE2 3.85Å; M97-Y105 HydrophobicContact CG-CG 3.59Å; M97-Y105 HydrophobicContact SD-CD2 4.48Å
98E88.7Confident89.8Confident27 Ų2737.1 Ų37.113%0.12617%0.171CC..Hα-helixtrans-83.1-45.9177.9-179.6167.1-160.500113.1T94 M95 A96 G177 R179 R182T94-E98 PolarHBondContact O-N 3.35Å; M95-E98 PolarHBondContact O-N 3.06Å; M95-E98 VanDerWaalsContact O-N 3.09Å; A96-E98 PolarHBondContact O-N 2.9Å; A96-E98 VanDerWaalsContact O-N 3.13Å; E98-G177 WeakPolarHBondContact OE2-CA 3.43Å; E98-R179 IonicContact OE1-NE 3.88Å; E98-R182 IonicContact OE1-CZ 2.75Å; E98-R182 IonicContact OE1-NH1 3.79Å; E98-R182 PolarHBondContact OE1-NH1 3.25Å; E98-R182 IonicContact OE1-NH2 2.76Å; E98-R182 PolarHBondContact OE1-NH2 2.87Å; E98-R182 IonicContact OE2-CZ 2.72Å; E98-R182 IonicContact OE2-NH1 3.9Å; E98-R182 IonicContact OE2-NH2 3.19Å; E98-R182 PolarHBondContact OE2-NH2 3.43Å
99F90.4Very high89.5Confident48 Ų4838.1 Ų38.121%0.21118%0.176CC..Hα-helixtrans-103.5-20.8-165.5-61.2-63.3000114.4M95 A96 F156 L159 I163 I318M95-F99 HydrophobicContact CB-CD2 4.42Å; M95-F99 HydrophobicContact CE-CE2 3.98Å; M95-F99 WeakPolarHBondContact O-CD2 3.36Å; M95-F99 PolarHBondContact O-N 3.24Å; A96-F99 PolarHBondContact O-N 3Å; F99-F156 HydrophobicContact CB-CE1 4.14Å; F99-F156 HydrophobicContact CD2-CD1 4.03Å; F99-F156 AromaticContact CD2-CE1 3.89Å; F99-F156 HydrophobicContact CD2-CE1 3.89Å; F99-F156 HydrophobicContact CG-CE1 4.45Å; F99-L159 HydrophobicContact CD1-CD2 3.55Å; F99-L159 HydrophobicContact CD2-CD2 4.27Å; F99-L159 HydrophobicContact CE1-CD2 3.58Å; F99-L159 HydrophobicContact CE1-CG 4.27Å; F99-L159 HydrophobicContact CE2-CD2 4.3Å; F99-L159 HydrophobicContact CG-CD2 3.92Å; F99-L159 HydrophobicContact CZ-CD2 3.97Å; F99-L159 HydrophobicContact CZ-CG 4.43Å; F99-I163 HydrophobicContact CE1-CD1 3.87Å; F99-I163 HydrophobicContact CZ-CD1 3.96Å; F99-I318 HydrophobicContact CD1-CD1 4.08Å; F99-I318 HydrophobicContact CE1-CD1 3.97Å
100I89.8Confident89.5Confident32 Ų3237.8 Ų37.816%0.16417%0.174CC..  trans-127.7154.1-178.969.6169.1000112.1A96 Y105 L110 V114 L154A96-I100 HydrophobicContact CB-CD1 3.95Å; A96-I100 HydrophobicContact CB-CG1 3.88Å; A96-I100 WeakPolarHBondContact O-CG1 3.45Å; A96-I100 PolarHBondContact O-N 3.13Å; I100-Y105 HydrophobicContact CG1-CE1 4.29Å; I100-Y105 PolarHBondContact O-OH 3.12Å; I100-L110 HydrophobicContact CD1-CD2 3.75Å; I100-V114 HydrophobicContact CD1-CG2 4.05Å; I100-L154 HydrophobicContact CD1-CD1 4.02Å; I100-L154 HydrophobicContact CG2-CD1 4.25Å; I100-L154 HydrophobicContact CG2-CD2 4.04Å
101R83.8Confident89.5Confident232 Ų23237.8 Ų37.888%0.87517%0.174SC*.  trans-104.9105.9173.2-68.1-176.6178.9179.31.8108.7
102A81.9Confident89.4Confident17 Ų1739.8 Ų39.814%0.1419%0.189CC..  trans-119.4161177.300000110.8G104 Y105 L110A102-G104 WeakPolarHBondContact CB-O 3.25Å; A102-Y105 HydrophobicContact CB-CD1 4.43Å; A102-Y105 HydrophobicContact CB-CE1 4.06Å; A102-Y105 PolarHBondContact N-OH 2.94Å; A102-L110 HydrophobicContact CB-CD2 4.45Å
103K72.5Confident89.2Confident156 Ų15645 Ų4568%0.67821%0.212SC*.SBendtrans-65.8-44.3177.5-69.4-177.2179.8179.50111.3R445K103-R445 WeakPolarHBondContact O-CD 3.49Å; K103-R445 PolarHBondContact O-NH1 3.45Å
104G80.6Confident89.2Confident2 Ų245.5 Ų45.52%0.02122%0.217CC..  trans-134.6173.3171.100000110.4A102 D109A102-G104 WeakPolarHBondContact CB-O 3.25Å; G104-D109 VanDerWaalsContact CA-OD2 3.24Å; G104-D109 WeakPolarHBondContact CA-OD2 3.21Å
105Y89.2Confident89.3Confident36 Ų3646.7 Ų46.714%0.14122%0.223CC..  trans-128.720.3-177.7-65.2-84.8000111.2H37 A96 M97 I100 A102 D109 L110H37-Y105 PolarHBondContact NE2-O 3.31Å; A96-Y105 VanDerWaalsContact C-CE1 3.44Å; A96-Y105 HydrophobicContact CB-CD1 3.76Å; A96-Y105 HydrophobicContact CB-CE1 4.05Å; A96-Y105 WeakPolarHBondContact O-CE1 3.38Å; M97-Y105 VanDerWaalsContact CA-CE1 3.47Å; M97-Y105 HydrophobicContact CB-CD1 4.46Å; M97-Y105 HydrophobicContact CB-CE1 4.29Å; M97-Y105 HydrophobicContact CG-CD1 3.69Å; M97-Y105 HydrophobicContact CG-CD2 3.66Å; M97-Y105 HydrophobicContact CG-CE1 3.89Å; M97-Y105 HydrophobicContact CG-CE2 3.85Å; M97-Y105 HydrophobicContact CG-CG 3.59Å; M97-Y105 HydrophobicContact SD-CD2 4.48Å; I100-Y105 HydrophobicContact CG1-CE1 4.29Å; I100-Y105 PolarHBondContact O-OH 3.12Å; A102-Y105 HydrophobicContact CB-CD1 4.43Å; A102-Y105 HydrophobicContact CB-CE1 4.06Å; A102-Y105 PolarHBondContact N-OH 2.94Å; Y105-D109 PolarHBondContact N-OD2 3.14Å; Y105-L110 HydrophobicContact CD1-CD2 4.08Å
106S88.8Confident89.3Confident42 Ų4253.3 Ų53.329%0.29426%0.258SS..SBendtrans-64164.3164.669.50000109.8H37 Q108 D109 L110H37-S106 VanDerWaalsContact NE2-C 3.35Å; S106-Q108 PolarHBondContact O-N 2.98Å; S106-D109 WeakPolarHBondContact CB-OD2 3.34Å; S106-D109 PolarHBondContact N-OD2 3.3Å; S106-D109 PolarHBondContact O-N 3.41Å; S106-D109 WeakPolarHBondContact OG-CB 3.47Å; S106-D109 PolarHBondContact OG-N 3.48Å; S106-D109 PolarHBondContact OG-OD2 3.31Å; S106-L110 VanDerWaalsContact O-CG 3.28Å; S106-L110 WeakPolarHBondContact O-CG 3.4Å; S106-L110 PolarHBondContact O-N 3.35Å; S106-L110 VanDerWaalsContact O-N 3.08Å
107L92.5Very high89.2Confident9 Ų955.8 Ų55.85%0.04727%0.27CS..Hα-helixtrans-63.2-37.2179.9-175.358.3000110.8H37 L110 A111 E143 V146 I150H37-L107 HydrophobicContact CB-CB 4.41Å; H37-L107 HydrophobicContact CB-CD1 4.03Å; H37-L107 HydrophobicContact CB-CD2 4.48Å; H37-L107 PolarHBondContact CE1-N 3.4Å; H37-L107 PolarHBondContact NE2-N 3.02Å; H37-L107 VanDerWaalsContact NE2-N 3.19Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.33Å; L107-E143 HydrophobicContact CD2-CB 3.63Å; L107-E143 HydrophobicContact CD2-CG 3.76Å; L107-V146 HydrophobicContact CD1-CG1 3.94Å; L107-V146 HydrophobicContact CG-CG1 4.19Å; L107-I150 HydrophobicContact CD1-CD1 3.75Å
108Q90.7Very high89Confident45 Ų4560.1 Ų60.121%0.2129%0.289CS..Hα-helixtrans-67.4-45.4178.9-63.172.416.200111.3S106 L110 A111 S112 W119S106-Q108 PolarHBondContact O-N 2.98Å; Q108-L110 VanDerWaalsContact C-N 3.26Å; Q108-L110 PolarHBondContact O-N 3.01Å; Q108-A111 PolarHBondContact O-N 3.3Å; Q108-S112 WeakPolarHBondContact O-CB 3.38Å; Q108-S112 PolarHBondContact O-N 3.14Å; Q108-W119 HydrophobicContact CG-CB 4.32Å; Q108-W119 VanDerWaalsContact CG-O 3.3Å; Q108-W119 WeakPolarHBondContact CG-O 3.17Å
109D89.4Confident88.6Confident61 Ų6163.8 Ų63.833%0.32630%0.301SS..Hα-helixtrans-58.4-42.6174.7-69-50.2000111.2G104 Y105 S106 H113G104-D109 VanDerWaalsContact CA-OD2 3.24Å; G104-D109 WeakPolarHBondContact CA-OD2 3.21Å; Y105-D109 PolarHBondContact N-OD2 3.14Å; S106-D109 WeakPolarHBondContact CB-OD2 3.34Å; S106-D109 PolarHBondContact N-OD2 3.3Å; S106-D109 PolarHBondContact O-N 3.41Å; S106-D109 WeakPolarHBondContact OG-CB 3.47Å; S106-D109 PolarHBondContact OG-N 3.48Å; S106-D109 PolarHBondContact OG-OD2 3.31Å; D109-H113 WeakPolarHBondContact O-CB 3.24Å; D109-H113 PolarHBondContact O-N 3.26Å
110L93.5Very high88Confident0 Ų068.1 Ų68.10%032%0.322CS..Hα-helixtrans-72.8-38.2-179.5-67.3175.4000111.9I92 A96 I100 A102 Y105 S106 L107 Q108 H113 V114 I150I92-L110 HydrophobicContact CG2-CD1 3.96Å; A96-L110 HydrophobicContact CB-CD1 3.91Å; A96-L110 HydrophobicContact CB-CD2 3.69Å; A96-L110 HydrophobicContact CB-CG 4.49Å; I100-L110 HydrophobicContact CD1-CD2 3.75Å; A102-L110 HydrophobicContact CB-CD2 4.45Å; Y105-L110 HydrophobicContact CD1-CD2 4.08Å; S106-L110 VanDerWaalsContact O-CG 3.28Å; S106-L110 WeakPolarHBondContact O-CG 3.4Å; S106-L110 PolarHBondContact O-N 3.35Å; S106-L110 VanDerWaalsContact O-N 3.08Å; L107-L110 PolarHBondContact O-N 3.44Å; Q108-L110 VanDerWaalsContact C-N 3.26Å; Q108-L110 PolarHBondContact O-N 3.01Å; L110-H113 PolarHBondContact O-N 3Å; L110-V114 WeakPolarHBondContact O-CB 3.23Å; L110-V114 VanDerWaalsContact O-CG2 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.47Å; L110-I150 HydrophobicContact CB-CD1 3.84Å
111A94.1Very high87.5Confident0 Ų069.6 Ų69.60%033%0.334CS..Hα-helixtrans-61.6-47.8174.400000110.8L107 Q108 H113 L115 D116 E117 V146L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.33Å; Q108-A111 PolarHBondContact O-N 3.3Å; A111-H113 PolarHBondContact O-N 3.45Å; A111-L115 CarbonylContact O-C 3.57Å; A111-L115 VanDerWaalsContact O-CA 3.31Å; A111-L115 WeakPolarHBondContact O-CA 3.48Å; A111-L115 VanDerWaalsContact O-CB 3.28Å; A111-L115 WeakPolarHBondContact O-CB 3.47Å; A111-L115 PolarHBondContact O-N 3.06Å; A111-D116 PolarHBondContact O-N 2.96Å; A111-D116 VanDerWaalsContact O-N 3.15Å; A111-E117 CarbonylContact C-O 3.56Å; A111-E117 PolarHBondContact O-N 2.72Å; A111-V146 HydrophobicContact CB-CG1 3.87Å
112S92.5Very high87.4Confident43 Ų4361.1 Ų61.130%0.30131%0.305SS..Hα-helixtrans-63.7-43.1176.4177.10000111.5Q108 D116 E117 H118Q108-S112 WeakPolarHBondContact O-CB 3.38Å; Q108-S112 PolarHBondContact O-N 3.14Å; S112-D116 WeakPolarHBondContact O-CA 3.31Å; S112-D116 PolarHBondContact O-N 2.84Å; S112-E117 VanDerWaalsContact CA-O 3.25Å; S112-E117 WeakPolarHBondContact CA-O 3.4Å; S112-E117 PolarHBondContact N-O 3.32Å; S112-E117 VanDerWaalsContact N-O 3.1Å; S112-H118 PolarHBondContact OG-CE1 3.08Å
113H91.3Very high86.9Confident108 Ų10863.7 Ų63.750%0.532%0.315SS..Hα-helixtrans-73.6-33.3-177.1-175.460.1000114.5D109 L110 A111D109-H113 WeakPolarHBondContact O-CB 3.24Å; D109-H113 PolarHBondContact O-N 3.26Å; L110-H113 PolarHBondContact O-N 3Å; A111-H113 PolarHBondContact O-N 3.45Å
114V94.2Very high86.7Confident22 Ų2260.7 Ų60.713%0.13331%0.311CS..Hα-helixtrans-106.1-34-170.1179.10000112.4I100 L110 I150 K153 L154I100-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 WeakPolarHBondContact O-CB 3.23Å; L110-V114 VanDerWaalsContact O-CG2 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.47Å; V114-I150 HydrophobicContact CG1-CG2 4.47Å; V114-K153 HydrophobicContact CG1-CB 3.92Å; V114-K153 HydrophobicContact CG1-CG 3.65Å; V114-L154 HydrophobicContact CG1-CD1 4.28Å; V114-L154 HydrophobicContact CG1-CD2 3.95Å; V114-L154 HydrophobicContact CG1-CG 3.9Å; V114-L154 HydrophobicContact CG2-CD1 4.03Å; V114-L154 HydrophobicContact CG2-CD2 4.32Å; V114-L154 HydrophobicContact CG2-CG 4.43Å
115L94.4Very high86.2Confident30 Ų3067.6 Ų67.616%0.15734%0.343CS..Hα-helixtrans-109.6-10-176-53.5179.5000113.2A111 E117 V146 R149 I150 K153A111-L115 CarbonylContact O-C 3.57Å; A111-L115 VanDerWaalsContact O-CA 3.31Å; A111-L115 WeakPolarHBondContact O-CA 3.48Å; A111-L115 VanDerWaalsContact O-CB 3.28Å; A111-L115 WeakPolarHBondContact O-CB 3.47Å; A111-L115 PolarHBondContact O-N 3.06Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 HydrophobicContact CB-CB 4.42Å; L115-E117 HydrophobicContact CB-CG 4.17Å; L115-V146 HydrophobicContact CD1-CG1 4.27Å; L115-R149 HydrophobicContact CD1-CB 3.97Å; L115-R149 HydrophobicContact CD2-CB 4.37Å; L115-I150 HydrophobicContact CD1-CG1 3.9Å; L115-I150 HydrophobicContact CG-CG1 4.12Å; L115-K153 HydrophobicContact CD2-CB 4.29Å; L115-K153 HydrophobicContact CD2-CG 4.46Å
116D92.2Very high85.3Confident140 Ų14068.8 Ų68.875%0.74937%0.366SS*.  trans59.537.1-173.2-156.631.9000112.7A111 S112A111-D116 PolarHBondContact O-N 2.96Å; A111-D116 VanDerWaalsContact O-N 3.15Å; S112-D116 WeakPolarHBondContact O-CA 3.31Å; S112-D116 PolarHBondContact O-N 2.84Å
117E91.7Very high85Confident52 Ų5269.9 Ų69.924%0.24337%0.37CS..  trans-121.8132.7-178.8-67.1175-172.900111.1A111 S112 L115 W119 R149A111-E117 CarbonylContact C-O 3.56Å; A111-E117 PolarHBondContact O-N 2.72Å; S112-E117 VanDerWaalsContact CA-O 3.25Å; S112-E117 WeakPolarHBondContact CA-O 3.4Å; S112-E117 PolarHBondContact N-O 3.32Å; S112-E117 VanDerWaalsContact N-O 3.1Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 HydrophobicContact CB-CB 4.42Å; L115-E117 HydrophobicContact CB-CG 4.17Å; E117-W119 PolarHBondContact OE2-NE1 2.68Å; E117-R149 IonicContact OE1-CZ 2.75Å; E117-R149 IonicContact OE1-NH1 3.86Å; E117-R149 PolarHBondContact OE1-NH1 2.84Å; E117-R149 IonicContact OE1-NH2 3.74Å; E117-R149 PolarHBondContact OE1-NH2 2.83Å; E117-R149 IonicContact OE2-CZ 3.77Å; E117-R149 IonicContact OE2-NH1 3.64Å; E117-R149 PolarHBondContact OE2-NH1 3.34Å; E117-R149 IonicContact OE2-NH2 3.72Å
118H86.6Confident84.7Confident161 Ų16178 Ų7875%0.74541%0.405SS*.  trans-93.9132.4172.8-68.1-68.3000110.5S112S112-H118 PolarHBondContact OG-CE1 3.08Å
119W80.7Confident84.7Confident104 Ų10479.3 Ų79.339%0.39441%0.414SS..  trans-132.9137.4-176.9-72.285.2000110Q108 E117 A142 V146Q108-W119 HydrophobicContact CG-CB 4.32Å; Q108-W119 VanDerWaalsContact CG-O 3.3Å; Q108-W119 WeakPolarHBondContact CG-O 3.17Å; E117-W119 PolarHBondContact OE2-NE1 2.68Å; W119-A142 HydrophobicContact CH2-CB 3.97Å; W119-A142 HydrophobicContact CZ3-CB 3.62Å; W119-V146 HydrophobicContact CD2-CG2 4.26Å; W119-V146 HydrophobicContact CH2-CG2 4.18Å; W119-V146 HydrophobicContact CZ2-CG2 3.64Å
120E78.8Confident84.7Confident138 Ų13880.9 Ų80.965%0.64543%0.43SS*.  trans-76.7137.5171.3-65.9179.3169.300110.6K139E120-K139 IonicContact OE2-NZ 2.9Å; E120-K139 PolarHBondContact OE2-NZ 3.5Å
121P79.1Confident84.6Confident64 Ų6488.4 Ų88.442%0.41647%0.465SS..  trans-68.4155.9171.830.4-34000111.8E123P121-E123 PolarHBondContact O-N 3.37Å
122I80.3Confident84.3Confident53 Ų5392 Ų9227%0.27248%0.482SS..  trans-78.2113.5167.6-60176.7000108L136 K139 E143I122-L136 HydrophobicContact CD1-CD1 4.38Å; I122-L136 HydrophobicContact CG2-CD1 3.45Å; I122-L136 VanDerWaalsContact CG2-CD1 3.45Å; I122-K139 HydrophobicContact CD1-CB 3.94Å; I122-K139 HydrophobicContact CG1-CB 3.91Å; I122-K139 HydrophobicContact CG1-CD 4.36Å; I122-E143 HydrophobicContact CD1-CG 4.32Å
123E72.5Confident84.2Confident72 Ų7294 Ų9434%0.33649%0.488SS..  trans-83.2145176.7-67.9-68.6-176.700111P121 E125 H527 K556P121-E123 PolarHBondContact O-N 3.37Å; E123-E125 HydrophobicContact CB-CG 4.32Å; E123-E125 PolarHBondContact O-N 2.72Å; E123-H527 IonicContact OE2-CE1 2.74Å; E123-K556 WeakPolarHBondContact OE1-CE 3.36Å; E123-K556 IonicContact OE1-NZ 2.81Å; E123-K556 PolarHBondContact OE1-NZ 2.77Å; E123-K556 IonicContact OE2-NZ 3.67Å; E123-K556 PolarHBondContact OE2-NZ 3.38Å
124P68.3Low84Confident93 Ų9393.7 Ų93.760%0.60449%0.49SS*.  trans-72.918.2-177.431.2-34.8000114
125E70.3Confident83.7Confident147 Ų14797.4 Ų97.469%0.68751%0.506SS*.PPolyproline II helixtrans-69.2149.1-177.8-66.8178.9-166.700111.8E123 V127E123-E125 HydrophobicContact CB-CG 4.32Å; E123-E125 PolarHBondContact O-N 2.72Å; E125-V127 PolarHBondContact O-N 3.18Å
126G68.7Low83.5Confident60 Ų6098.6 Ų98.662%0.61951%0.512SS*.PPolyproline II helixtrans-66.3130.8179.900000111.7K128G126-K128 PolarHBondContact O-N 2.54Å
127V82.7Confident83.3Confident65 Ų6594.3 Ų94.339%0.39449%0.489SS..PPolyproline II helixtrans-69.4119.6170.11790000109.1E125 D129 Q132 L133 L136E125-V127 PolarHBondContact O-N 3.18Å; V127-D129 WeakPolarHBondContact CG1-O 3.43Å; V127-Q132 HydrophobicContact CG1-CB 3.99Å; V127-L133 HydrophobicContact CG1-CB 3.64Å; V127-L133 HydrophobicContact CG1-CD1 4.2Å; V127-L133 HydrophobicContact CG1-CG 4.47Å; V127-L136 HydrophobicContact CG2-CD2 3.59Å
128K86.5Confident83.2Confident180 Ų18097.4 Ų97.478%0.78350%0.503SS*.  trans-94.3-31.1-174.4-59.7176.3-175.6169.20113.8G126G126-K128 PolarHBondContact O-N 2.54Å
129D90.5Very high83.3Confident73 Ų7392 Ų9239%0.3948%0.477SS..SBendtrans-143.8175.1-173.557.150.3000111.6V127 E131 Q132 L133V127-D129 WeakPolarHBondContact CG1-O 3.43Å; D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 PolarHBondContact O-N 2.85Å; D129-E131 WeakPolarHBondContact OD1-CB 3.48Å; D129-E131 PolarHBondContact OD1-N 2.95Å; D129-E131 VanDerWaalsContact OD1-N 3.1Å; D129-Q132 WeakPolarHBondContact OD1-CB 3.5Å; D129-Q132 WeakPolarHBondContact OD1-CG 3.32Å; D129-Q132 PolarHBondContact OD1-N 3.39Å; D129-Q132 PolarHBondContact OD2-NE2 3.04Å; D129-Q132 VanDerWaalsContact OD2-NE2 3.07Å; D129-L133 PolarHBondContact O-N 2.65Å; D129-L133 VanDerWaalsContact O-N 3.12Å
130S90.7Very high83.7Confident94 Ų9490.2 Ų90.266%0.65748%0.48SS*.Hα-helixtrans-68.3-27.2-178.7-55.90000113.4L133 L134S130-L133 PolarHBondContact O-N 2.77Å; S130-L134 WeakPolarHBondContact O-CG 3.39Å; S130-L134 PolarHBondContact O-N 2.64Å
131E89.7Confident84.2Confident158 Ų15886.3 Ų86.374%0.73846%0.463SS*.Hα-helixtrans-70.9-47.2179.1-173.6-179.9171.700110.3D129 L133 L134 H135D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 PolarHBondContact O-N 2.85Å; D129-E131 WeakPolarHBondContact OD1-CB 3.48Å; D129-E131 PolarHBondContact OD1-N 2.95Å; D129-E131 VanDerWaalsContact OD1-N 3.1Å; E131-L133 PolarHBondContact O-N 2.97Å; E131-L134 PolarHBondContact O-N 3.46Å; E131-H135 WeakPolarHBondContact O-CB 3.46Å; E131-H135 PolarHBondContact O-N 3.17Å
132Q89Confident84.7Confident76 Ų7683.5 Ų83.536%0.35545%0.445SS..Hα-helixtrans-60.4-35.6172.4-69.7172.723.900111.7V127 D129 L136V127-Q132 HydrophobicContact CG1-CB 3.99Å; D129-Q132 WeakPolarHBondContact OD1-CB 3.5Å; D129-Q132 WeakPolarHBondContact OD1-CG 3.32Å; D129-Q132 PolarHBondContact OD1-N 3.39Å; D129-Q132 PolarHBondContact OD2-NE2 3.04Å; D129-Q132 VanDerWaalsContact OD2-NE2 3.07Å; Q132-L136 WeakPolarHBondContact O-CB 3.45Å; Q132-L136 PolarHBondContact O-N 2.71Å
133L89.4Confident85.3Confident84 Ų8484 Ų8444%0.4445%0.447SS..Hα-helixtrans-66.5-45.9176-17457.3000111.8V127 D129 S130 E131 L136 I137V127-L133 HydrophobicContact CG1-CB 3.64Å; V127-L133 HydrophobicContact CG1-CD1 4.2Å; V127-L133 HydrophobicContact CG1-CG 4.47Å; D129-L133 PolarHBondContact O-N 2.65Å; D129-L133 VanDerWaalsContact O-N 3.12Å; S130-L133 PolarHBondContact O-N 2.77Å; E131-L133 PolarHBondContact O-N 2.97Å; L133-L136 PolarHBondContact O-N 3.32Å; L133-I137 HydrophobicContact CG-CD1 4.23Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.32Å; L133-I137 PolarHBondContact O-N 2.74Å
134L88.5Confident86.2Confident102 Ų10283.5 Ų83.553%0.53445%0.454SS..Hα-helixtrans-63.2-44.1177-74.7172000110.9S130 E131 L136 I137 E138S130-L134 WeakPolarHBondContact O-CG 3.39Å; S130-L134 PolarHBondContact O-N 2.64Å; E131-L134 PolarHBondContact O-N 3.46Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 3.26Å; L134-I137 WeakPolarHBondContact O-CB 3.49Å; L134-I137 PolarHBondContact O-N 2.93Å; L134-I137 VanDerWaalsContact O-N 3.12Å; L134-E138 WeakPolarHBondContact O-CG 3.24Å; L134-E138 PolarHBondContact O-N 3.14Å
135H87.6Confident87.4Confident99 Ų9984 Ų8446%0.45845%0.447SS..Hα-helixtrans-59.5-41175-170.654000112.3E131 I137 E138 K139E131-H135 WeakPolarHBondContact O-CB 3.46Å; E131-H135 PolarHBondContact O-N 3.17Å; H135-I137 PolarHBondContact O-N 3.44Å; H135-E138 PolarHBondContact O-N 2.8Å; H135-K139 VanDerWaalsContact NE2-CE 3.33Å; H135-K139 WeakPolarHBondContact NE2-CE 3.35Å; H135-K139 WeakPolarHBondContact O-CB 3.31Å; H135-K139 WeakPolarHBondContact O-CG 3.34Å; H135-K139 PolarHBondContact O-N 3.49Å
136L89.4Confident88.5Confident56 Ų5677.3 Ų77.329%0.29342%0.416SS..Hα-helixtrans-62.6-42.2174.5177.563000111.7I122 V127 Q132 L133 L134 K139 C140I122-L136 HydrophobicContact CD1-CD1 4.38Å; I122-L136 HydrophobicContact CG2-CD1 3.45Å; I122-L136 VanDerWaalsContact CG2-CD1 3.45Å; V127-L136 HydrophobicContact CG2-CD2 3.59Å; Q132-L136 WeakPolarHBondContact O-CB 3.45Å; Q132-L136 PolarHBondContact O-N 2.71Å; L133-L136 PolarHBondContact O-N 3.32Å; L134-L136 VanDerWaalsContact C-N 3.31Å; L134-L136 PolarHBondContact O-N 3.26Å; L136-K139 PolarHBondContact O-N 3.16Å; L136-C140 PolarHBondContact O-N 2.99Å; L136-C140 PolarHBondContact O-SG 3.04Å
137I89.2Confident89.8Confident50 Ų5074.6 Ų74.626%0.25639%0.388SS..Hα-helixtrans-63.3-43.8176.9-68.4164.1000110.3V9 L133 L134 H135 C140 L141V9-I137 HydrophobicContact CG1-CD1 4.17Å; V9-I137 HydrophobicContact CG2-CG2 4.25Å; L133-I137 HydrophobicContact CG-CD1 4.23Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.32Å; L133-I137 PolarHBondContact O-N 2.74Å; L134-I137 WeakPolarHBondContact O-CB 3.49Å; L134-I137 PolarHBondContact O-N 2.93Å; L134-I137 VanDerWaalsContact O-N 3.12Å; H135-I137 PolarHBondContact O-N 3.44Å; I137-C140 PolarHBondContact O-N 2.99Å; I137-L141 HydrophobicContact CG2-CD1 4.08Å; I137-L141 WeakPolarHBondContact O-CG 3.19Å; I137-L141 PolarHBondContact O-N 2.74Å
138E88.3Confident90.4Very high116 Ų11677.3 Ų77.354%0.54239%0.391SS..Hα-helixtrans-61.5-45.2175.9-72.5-177.8179.500112L134 H135 L141 A142L134-E138 WeakPolarHBondContact O-CG 3.24Å; L134-E138 PolarHBondContact O-N 3.14Å; H135-E138 PolarHBondContact O-N 2.8Å; E138-L141 PolarHBondContact O-N 3.47Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.65Å
139K88.9Confident90.9Very high49 Ų4973.3 Ų73.321%0.21337%0.371CS..Hα-helixtrans-59.5-46.6174.3-76.4-171.8167.7-172.70111.6E120 I122 H135 L136 L141 A142 E143E120-K139 IonicContact OE2-NZ 2.9Å; E120-K139 PolarHBondContact OE2-NZ 3.5Å; I122-K139 HydrophobicContact CD1-CB 3.94Å; I122-K139 HydrophobicContact CG1-CB 3.91Å; I122-K139 HydrophobicContact CG1-CD 4.36Å; H135-K139 VanDerWaalsContact NE2-CE 3.33Å; H135-K139 WeakPolarHBondContact NE2-CE 3.35Å; H135-K139 WeakPolarHBondContact O-CB 3.31Å; H135-K139 WeakPolarHBondContact O-CG 3.34Å; H135-K139 PolarHBondContact O-N 3.49Å; L136-K139 PolarHBondContact O-N 3.16Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 2.89Å; K139-A142 WeakPolarHBondContact O-CB 3.26Å; K139-A142 PolarHBondContact O-N 3.01Å; K139-E143 WeakPolarHBondContact O-CG 3.37Å; K139-E143 PolarHBondContact O-N 2.83Å
140C89.6Confident91.2Very high65 Ų6569.8 Ų69.844%0.43935%0.352SS..Hα-helixtrans-58.8-42.5176.9-68.70000112.5L136 I137 A144L136-C140 PolarHBondContact O-N 2.99Å; L136-C140 PolarHBondContact O-SG 3.04Å; I137-C140 PolarHBondContact O-N 2.99Å; C140-A144 PolarHBondContact O-N 3.17Å
141L89.8Confident91.5Very high56 Ų5665.4 Ų65.429%0.29332%0.322SS..Hα-helixtrans-66.5-43.2176.6-72.5168.2000111.1T7 I137 E138 K139 E143 A144 F145T7-L141 HydrophobicContact CG2-CD1 3.83Å; T7-L141 HydrophobicContact CG2-CD2 4.34Å; I137-L141 HydrophobicContact CG2-CD1 4.08Å; I137-L141 WeakPolarHBondContact O-CG 3.19Å; I137-L141 PolarHBondContact O-N 2.74Å; E138-L141 PolarHBondContact O-N 3.47Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 2.89Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 3.16Å; L141-A144 WeakPolarHBondContact O-CB 3.44Å; L141-A144 PolarHBondContact O-N 3.46Å; L141-F145 WeakPolarHBondContact O-CD2 3.47Å; L141-F145 PolarHBondContact O-N 3.01Å; L141-F145 VanDerWaalsContact O-N 3.08Å
142A89.9Confident91.8Very high6 Ų662.4 Ų62.45%0.0531%0.308CS..Hα-helixtrans-59.1-43.7177.100000111.6L2 W119 E138 K139 A144 F145 V146L2-A142 HydrophobicContact CD1-CB 4.34Å; W119-A142 HydrophobicContact CH2-CB 3.97Å; W119-A142 HydrophobicContact CZ3-CB 3.62Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.65Å; K139-A142 WeakPolarHBondContact O-CB 3.26Å; K139-A142 PolarHBondContact O-N 3.01Å; A142-A144 VanDerWaalsContact C-N 3.3Å; A142-A144 PolarHBondContact O-N 3.03Å; A142-F145 PolarHBondContact O-N 3.13Å; A142-F145 VanDerWaalsContact O-N 3.14Å; A142-V146 WeakPolarHBondContact O-CB 3.02Å; A142-V146 VanDerWaalsContact O-CG2 3.26Å; A142-V146 WeakPolarHBondContact O-CG2 3.37Å; A142-V146 PolarHBondContact O-N 3.28Å
143E91.7Very high92Very high64 Ų6465.3 Ų65.330%0.29932%0.319SS..Hα-helixtrans-58.5-39.7176.5-72.1-165.2152.400112.8L107 I122 K139 L141 S147L107-E143 HydrophobicContact CD2-CB 3.63Å; L107-E143 HydrophobicContact CD2-CG 3.76Å; I122-E143 HydrophobicContact CD1-CG 4.32Å; K139-E143 WeakPolarHBondContact O-CG 3.37Å; K139-E143 PolarHBondContact O-N 2.83Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E143 PolarHBondContact O-N 3.16Å; E143-S147 WeakPolarHBondContact O-CB 3.28Å; E143-S147 PolarHBondContact O-N 2.94Å; E143-S147 PolarHBondContact O-OG 3.47Å
144A92.1Very high92.3Very high60 Ų6063.3 Ų63.350%0.49631%0.308SS..Hα-helixtrans-65.1-43.5175.400000112C140 L141 A142 S147 W148C140-A144 PolarHBondContact O-N 3.17Å; L141-A144 WeakPolarHBondContact O-CB 3.44Å; L141-A144 PolarHBondContact O-N 3.46Å; A142-A144 VanDerWaalsContact C-N 3.3Å; A142-A144 PolarHBondContact O-N 3.03Å; A144-S147 PolarHBondContact O-N 3.23Å; A144-W148 PolarHBondContact O-N 3.49Å; A144-W148 VanDerWaalsContact O-N 3.08Å
145F92.8Very high92.6Very high105 Ų10562.3 Ų62.346%0.46130%0.298SS..Hα-helixtrans-67.6-39.9176.5-79.9-68.7000112.8L2 L141 A142 W148 R149L2-F145 HydrophobicContact CD2-CD2 4.04Å; L2-F145 HydrophobicContact CD2-CE2 3.88Å; L141-F145 WeakPolarHBondContact O-CD2 3.47Å; L141-F145 PolarHBondContact O-N 3.01Å; L141-F145 VanDerWaalsContact O-N 3.08Å; A142-F145 PolarHBondContact O-N 3.13Å; A142-F145 VanDerWaalsContact O-N 3.14Å; F145-W148 WeakPolarHBondContact O-CB 3.15Å; F145-W148 PolarHBondContact O-N 3.02Å; F145-R149 WeakPolarHBondContact O-CG 3.3Å; F145-R149 PolarHBondContact O-N 2.96Å
146V94.3Very high93Very high5 Ų557.7 Ų57.73%0.0328%0.276CS..Hα-helixtrans-62.7-44.9175.7171.30000110L107 A111 L115 W119 A142 W148 R149 I150L107-V146 HydrophobicContact CD1-CG1 3.94Å; L107-V146 HydrophobicContact CG-CG1 4.19Å; A111-V146 HydrophobicContact CB-CG1 3.87Å; L115-V146 HydrophobicContact CD1-CG1 4.27Å; W119-V146 HydrophobicContact CD2-CG2 4.26Å; W119-V146 HydrophobicContact CH2-CG2 4.18Å; W119-V146 HydrophobicContact CZ2-CG2 3.64Å; A142-V146 WeakPolarHBondContact O-CB 3.02Å; A142-V146 VanDerWaalsContact O-CG2 3.26Å; A142-V146 WeakPolarHBondContact O-CG2 3.37Å; A142-V146 PolarHBondContact O-N 3.28Å; V146-W148 VanDerWaalsContact C-N 3.3Å; V146-W148 PolarHBondContact O-N 3.48Å; V146-R149 PolarHBondContact O-N 3.28Å; V146-I150 HydrophobicContact CG1-CD1 3.79Å; V146-I150 HydrophobicContact CG1-CG1 4.41Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3Å
147S95.3Very high93.3Very high3 Ų356.7 Ų56.72%0.02127%0.271CS..Hα-helixtrans-56-44.1173.9-62.80000112E143 A144 C151E143-S147 WeakPolarHBondContact O-CB 3.28Å; E143-S147 PolarHBondContact O-N 2.94Å; E143-S147 PolarHBondContact O-OG 3.47Å; A144-S147 PolarHBondContact O-N 3.23Å; S147-C151 PolarHBondContact O-N 3.32Å; S147-C151 VanDerWaalsContact O-N 3.09Å
148W95.9Very high93.6Very high122 Ų12258.4 Ų58.446%0.46228%0.278SS..Hα-helixtrans-62.7-47.1175167.8-109.9000112.5L35 A144 F145 V146 I150 C151 Q152L35-W148 HydrophobicContact CD1-CE3 3.94Å; L35-W148 HydrophobicContact CD1-CZ3 4.41Å; L35-W148 HydrophobicContact CD2-CB 4.4Å; A144-W148 PolarHBondContact O-N 3.49Å; A144-W148 VanDerWaalsContact O-N 3.08Å; F145-W148 WeakPolarHBondContact O-CB 3.15Å; F145-W148 PolarHBondContact O-N 3.02Å; V146-W148 VanDerWaalsContact C-N 3.3Å; V146-W148 PolarHBondContact O-N 3.48Å; W148-I150 PolarHBondContact O-N 2.88Å; W148-C151 WeakPolarHBondContact O-CB 3.38Å; W148-C151 PolarHBondContact O-N 2.69Å; W148-Q152 PolarHBondContact O-N 3.01Å
149R96.6Very high93.9Very high96 Ų9653.2 Ų53.236%0.36225%0.254SS..Hα-helixtrans-61.7-41.6179.5-73175.667.1-148-0.6112.2L115 E117 F145 V146 Q152 K153L115-R149 HydrophobicContact CD1-CB 3.97Å; L115-R149 HydrophobicContact CD2-CB 4.37Å; E117-R149 IonicContact OE1-CZ 2.75Å; E117-R149 IonicContact OE1-NH1 3.86Å; E117-R149 PolarHBondContact OE1-NH1 2.84Å; E117-R149 IonicContact OE1-NH2 3.74Å; E117-R149 PolarHBondContact OE1-NH2 2.83Å; E117-R149 IonicContact OE2-CZ 3.77Å; E117-R149 IonicContact OE2-NH1 3.64Å; E117-R149 PolarHBondContact OE2-NH1 3.34Å; E117-R149 IonicContact OE2-NH2 3.72Å; F145-R149 WeakPolarHBondContact O-CG 3.3Å; F145-R149 PolarHBondContact O-N 2.96Å; V146-R149 PolarHBondContact O-N 3.28Å; R149-Q152 PolarHBondContact O-N 3.34Å; R149-K153 WeakPolarHBondContact O-CB 3.29Å; R149-K153 PolarHBondContact O-N 3.47Å
150I96.4Very high94.3Very high0 Ų050.9 Ų50.90%024%0.244CC..Hα-helixtrans-61.2-48.1174.5-67.1163.6000110.2I92 L107 L110 V114 L115 V146 W148 Q152 K153 L154I92-I150 HydrophobicContact CG2-CB 4.24Å; I92-I150 HydrophobicContact CG2-CG2 3.6Å; L107-I150 HydrophobicContact CD1-CD1 3.75Å; L110-I150 HydrophobicContact CB-CD1 3.84Å; V114-I150 HydrophobicContact CG1-CG2 4.47Å; L115-I150 HydrophobicContact CD1-CG1 3.9Å; L115-I150 HydrophobicContact CG-CG1 4.12Å; V146-I150 HydrophobicContact CG1-CD1 3.79Å; V146-I150 HydrophobicContact CG1-CG1 4.41Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3Å; W148-I150 PolarHBondContact O-N 2.88Å; I150-Q152 VanDerWaalsContact C-N 3.28Å; I150-Q152 PolarHBondContact O-N 3.48Å; I150-K153 PolarHBondContact O-N 2.67Å; I150-L154 HydrophobicContact CG2-CD1 3.83Å; I150-L154 HydrophobicContact CG2-CG 4.48Å; I150-L154 WeakPolarHBondContact O-CB 2.95Å; I150-L154 WeakPolarHBondContact O-CG 3.13Å; I150-L154 PolarHBondContact O-N 3.36Å
151C96.6Very high94.6Very high2 Ų251.5 Ų51.51%0.01424%0.241CC..Hα-helixtrans-56.8-43177-172.60000112.5L35 I92 S147 W148 R155 F156L35-C151 HydrophobicContact CD1-CB 3.59Å; L35-C151 WeakPolarHBondContact CD1-SG 3.21Å; I92-C151 HydrophobicContact CD1-CB 3.58Å; S147-C151 PolarHBondContact O-N 3.32Å; S147-C151 VanDerWaalsContact O-N 3.09Å; W148-C151 WeakPolarHBondContact O-CB 3.38Å; W148-C151 PolarHBondContact O-N 2.69Å; C151-R155 PolarHBondContact O-N 3.17Å; C151-F156 PolarHBondContact O-N 2.78Å
152Q95.4Very high94.9Very high94 Ų9450.4 Ų50.444%0.43923%0.234SC..Hα-helixtrans-67.3-47.4179.2-171.7-177.66.200110.7W148 R149 I150 L154 R155W148-Q152 PolarHBondContact O-N 3.01Å; R149-Q152 PolarHBondContact O-N 3.34Å; I150-Q152 VanDerWaalsContact C-N 3.28Å; I150-Q152 PolarHBondContact O-N 3.48Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-L154 PolarHBondContact O-N 2.85Å; Q152-R155 WeakPolarHBondContact O-CD 3.34Å; Q152-R155 PolarHBondContact O-N 3.14Å; Q152-R155 PolarHBondContact O-NH1 2.69Å
153K94.9Very high95.3Very high138 Ų13850.1 Ų50.160%0.623%0.232SC*.Hα-helixtrans-60.9-39.2179.9-172.869.6171.8-171.20112V114 L115 R149 I150V114-K153 HydrophobicContact CG1-CB 3.92Å; V114-K153 HydrophobicContact CG1-CG 3.65Å; L115-K153 HydrophobicContact CD2-CB 4.29Å; L115-K153 HydrophobicContact CD2-CG 4.46Å; R149-K153 WeakPolarHBondContact O-CB 3.29Å; R149-K153 PolarHBondContact O-N 3.47Å; I150-K153 PolarHBondContact O-N 2.67Å
154L94.4Very high95.5Very high41 Ų4147.9 Ų47.922%0.21522%0.223CC..THydrogen-bonded Turntrans-910.9-179.4-60.7178.1000114.4I100 V114 I150 Q152 F156I100-L154 HydrophobicContact CD1-CD1 4.02Å; I100-L154 HydrophobicContact CG2-CD1 4.25Å; I100-L154 HydrophobicContact CG2-CD2 4.04Å; V114-L154 HydrophobicContact CG1-CD1 4.28Å; V114-L154 HydrophobicContact CG1-CD2 3.95Å; V114-L154 HydrophobicContact CG1-CG 3.9Å; V114-L154 HydrophobicContact CG2-CD1 4.03Å; V114-L154 HydrophobicContact CG2-CD2 4.32Å; V114-L154 HydrophobicContact CG2-CG 4.43Å; I150-L154 HydrophobicContact CG2-CD1 3.83Å; I150-L154 HydrophobicContact CG2-CG 4.48Å; I150-L154 WeakPolarHBondContact O-CB 2.95Å; I150-L154 WeakPolarHBondContact O-CG 3.13Å; I150-L154 PolarHBondContact O-N 3.36Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-L154 PolarHBondContact O-N 2.85Å; L154-F156 HydrophobicContact CB-CD1 3.66Å; L154-F156 HydrophobicContact CB-CE1 3.45Å; L154-F156 VanDerWaalsContact CB-CE1 3.45Å; L154-F156 HydrophobicContact CB-CE2 4.33Å; L154-F156 HydrophobicContact CB-CG 4.21Å; L154-F156 HydrophobicContact CB-CZ 3.82Å; L154-F156 HydrophobicContact CD1-CE1 3.69Å; L154-F156 HydrophobicContact CD1-CE2 3.88Å; L154-F156 HydrophobicContact CD1-CZ 3.25Å; L154-F156 HydrophobicContact CG-CE1 4.2Å; L154-F156 HydrophobicContact CG-CZ 4.18Å; L154-F156 PolarHBondContact O-N 2.82Å; L154-F156 VanDerWaalsContact O-N 3.12Å
155R95.3Very high95.7Very high82 Ų8252.8 Ų52.831%0.30923%0.229SC..THydrogen-bonded Turntrans53.434.1176.4-52.3-64.7-174-136.67.2114C151 Q152 L157 Q158 L159 E307 I311C151-R155 PolarHBondContact O-N 3.17Å; Q152-R155 WeakPolarHBondContact O-CD 3.34Å; Q152-R155 PolarHBondContact O-N 3.14Å; Q152-R155 PolarHBondContact O-NH1 2.69Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-L157 PolarHBondContact O-N 3.34Å; R155-Q158 HydrophobicContact CB-CB 4.46Å; R155-Q158 PolarHBondContact O-N 3.17Å; R155-Q158 PolarHBondContact O-OE1 3.47Å; R155-L159 WeakPolarHBondContact O-CB 3.39Å; R155-L159 PolarHBondContact O-N 3.17Å; R155-E307 IonicContact CZ-OE1 2.9Å; R155-E307 IonicContact NE-OE1 2.6Å; R155-E307 PolarHBondContact NE-OE1 3.02Å; R155-E307 IonicContact NH2-OE1 2.69Å; R155-I311 HydrophobicContact CB-CD1 3.95Å; R155-I311 HydrophobicContact CB-CG1 4.39Å; R155-I311 HydrophobicContact CG-CD1 4.02Å
156F95.3Very high95.8Very high1 Ų148.9 Ų48.90%0.00421%0.213CC..Hα-helixtrans-57.8-41.6-171.9-83.9-8000113.9I92 M95 A96 F99 C151 L154 S160I92-F156 HydrophobicContact CD1-CD2 4.03Å; I92-F156 HydrophobicContact CD1-CE2 4.38Å; I92-F156 HydrophobicContact CG2-CE2 4.2Å; M95-F156 HydrophobicContact CB-CD1 4.23Å; M95-F156 HydrophobicContact CB-CD2 3.54Å; M95-F156 HydrophobicContact CB-CE1 4.17Å; M95-F156 HydrophobicContact CB-CE2 3.48Å; M95-F156 VanDerWaalsContact CB-CE2 3.48Å; M95-F156 HydrophobicContact CB-CG 3.93Å; M95-F156 HydrophobicContact CB-CZ 3.81Å; M95-F156 HydrophobicContact CE-CB 3.38Å; M95-F156 HydrophobicContact CE-CD1 4.21Å; M95-F156 HydrophobicContact CE-CD2 4.28Å; M95-F156 HydrophobicContact CE-CG 3.72Å; M95-F156 WeakPolarHBondContact CE-O 3.37Å; M95-F156 HydrophobicContact CG-CD2 4.33Å; M95-F156 HydrophobicContact SD-CB 3.79Å; M95-F156 HydrophobicContact SD-CD2 3.95Å; M95-F156 HydrophobicContact SD-CG 3.99Å; A96-F156 HydrophobicContact CB-CZ 4.13Å; F99-F156 HydrophobicContact CB-CE1 4.14Å; F99-F156 HydrophobicContact CD2-CD1 4.03Å; F99-F156 AromaticContact CD2-CE1 3.89Å; F99-F156 HydrophobicContact CD2-CE1 3.89Å; F99-F156 HydrophobicContact CG-CE1 4.45Å; C151-F156 PolarHBondContact O-N 2.78Å; L154-F156 HydrophobicContact CB-CD1 3.66Å; L154-F156 HydrophobicContact CB-CE1 3.45Å; L154-F156 VanDerWaalsContact CB-CE1 3.45Å; L154-F156 HydrophobicContact CB-CE2 4.33Å; L154-F156 HydrophobicContact CB-CG 4.21Å; L154-F156 HydrophobicContact CB-CZ 3.82Å; L154-F156 HydrophobicContact CD1-CE1 3.69Å; L154-F156 HydrophobicContact CD1-CE2 3.88Å; L154-F156 HydrophobicContact CD1-CZ 3.25Å; L154-F156 HydrophobicContact CG-CE1 4.2Å; L154-F156 HydrophobicContact CG-CZ 4.18Å; L154-F156 PolarHBondContact O-N 2.82Å; L154-F156 VanDerWaalsContact O-N 3.12Å; F156-S160 VanDerWaalsContact O-CB 3.28Å; F156-S160 WeakPolarHBondContact O-CB 3.39Å; F156-S160 PolarHBondContact O-N 3.3Å; F156-S160 PolarHBondContact O-OG 2.9Å
157L95.8Very high95.9Very high35 Ų3548.8 Ų48.818%0.18321%0.213CC..Hα-helixtrans-67.5-46.5178.6-62.5180000111.6V33 C90 R155 S160 M161 M171 M175V33-L157 HydrophobicContact CG1-CD2 4.08Å; C90-L157 HydrophobicContact CB-CD2 4.2Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-L157 PolarHBondContact O-N 3.34Å; L157-S160 PolarHBondContact O-N 2.9Å; L157-M161 WeakPolarHBondContact O-CB 3.34Å; L157-M161 PolarHBondContact O-N 2.99Å; L157-M171 WeakPolarHBondContact O-CE 3.46Å; L157-M175 HydrophobicContact CD2-CE 3.67Å
158Q95.7Very high95.9Very high86 Ų8650.3 Ų50.340%0.40223%0.228SC..Hα-helixtrans-63.9-45.9179.9-64.183-800110.9R155 S160 M161 E162 I311R155-Q158 HydrophobicContact CB-CB 4.46Å; R155-Q158 PolarHBondContact O-N 3.17Å; R155-Q158 PolarHBondContact O-OE1 3.47Å; Q158-S160 VanDerWaalsContact C-N 3.35Å; Q158-S160 PolarHBondContact O-N 3.05Å; Q158-M161 WeakPolarHBondContact O-CB 3.45Å; Q158-M161 PolarHBondContact O-N 3.38Å; Q158-E162 PolarHBondContact O-N 3Å; Q158-I311 HydrophobicContact CB-CD1 3.88Å; Q158-I311 HydrophobicContact CB-CG2 4.27Å; Q158-I311 HydrophobicContact CG-CD1 4.45Å
159L96Very high95.8Very high8 Ų845.4 Ų45.44%0.04222%0.216CC..Hα-helixtrans-62.5-42.6177.5-176.961.5000111.6F99 R155 M161 E162 I163 I311 Q314 A315 I318F99-L159 HydrophobicContact CD1-CD2 3.55Å; F99-L159 HydrophobicContact CD2-CD2 4.27Å; F99-L159 HydrophobicContact CE1-CD2 3.58Å; F99-L159 HydrophobicContact CE1-CG 4.27Å; F99-L159 HydrophobicContact CE2-CD2 4.3Å; F99-L159 HydrophobicContact CG-CD2 3.92Å; F99-L159 HydrophobicContact CZ-CD2 3.97Å; F99-L159 HydrophobicContact CZ-CG 4.43Å; R155-L159 WeakPolarHBondContact O-CB 3.39Å; R155-L159 PolarHBondContact O-N 3.17Å; L159-M161 VanDerWaalsContact C-N 3.3Å; L159-M161 PolarHBondContact O-N 2.88Å; L159-E162 PolarHBondContact O-N 3.2Å; L159-I163 HydrophobicContact CD1-CD1 4.14Å; L159-I163 HydrophobicContact CD1-CG1 4.36Å; L159-I163 HydrophobicContact CG-CD1 3.93Å; L159-I163 WeakPolarHBondContact O-CB 3.4Å; L159-I163 VanDerWaalsContact O-CG1 3.26Å; L159-I163 WeakPolarHBondContact O-CG1 3.24Å; L159-I163 PolarHBondContact O-N 3.13Å; L159-I311 HydrophobicContact CB-CG2 4.19Å; L159-I311 HydrophobicContact CD1-CG2 4.15Å; L159-Q314 HydrophobicContact CD1-CB 4.18Å; L159-A315 HydrophobicContact CD1-CB 4.24Å; L159-I318 HydrophobicContact CD1-CD1 4.39Å; L159-I318 HydrophobicContact CD2-CD1 4.41Å
160S96.2Very high95.7Very high0 Ų044.7 Ų44.70%022%0.219CC..Hα-helixtrans-63.5-37.1176.3-63.40000112.3M95 F156 L157 Q158 T164M95-S160 WeakPolarHBondContact CE-OG 3.42Å; F156-S160 VanDerWaalsContact O-CB 3.28Å; F156-S160 WeakPolarHBondContact O-CB 3.39Å; F156-S160 PolarHBondContact O-N 3.3Å; F156-S160 PolarHBondContact O-OG 2.9Å; L157-S160 PolarHBondContact O-N 2.9Å; Q158-S160 VanDerWaalsContact C-N 3.35Å; Q158-S160 PolarHBondContact O-N 3.05Å; S160-T164 VanDerWaalsContact O-CB 3.31Å; S160-T164 WeakPolarHBondContact O-CB 3.35Å; S160-T164 PolarHBondContact O-N 3.08Å; S160-T164 PolarHBondContact O-OG1 3.19Å
161M96.5Very high95.6Very high78 Ų7846.4 Ų46.438%0.38423%0.227SC..Hα-helixtrans-65.1-49.5176.5-172.5-179.6-61.900110.9L157 Q158 L159 T164 R165 M171L157-M161 WeakPolarHBondContact O-CB 3.34Å; L157-M161 PolarHBondContact O-N 2.99Å; Q158-M161 WeakPolarHBondContact O-CB 3.45Å; Q158-M161 PolarHBondContact O-N 3.38Å; L159-M161 VanDerWaalsContact C-N 3.3Å; L159-M161 PolarHBondContact O-N 2.88Å; M161-T164 PolarHBondContact O-N 2.91Å; M161-R165 WeakPolarHBondContact O-CG 3.1Å; M161-R165 PolarHBondContact O-N 2.9Å; M161-R165 PolarHBondContact SD-NH2 2.96Å; M161-M171 HydrophobicContact CB-CE 4.07Å; M161-M171 HydrophobicContact CB-SD 4.45Å
162E96.5Very high95.5Very high32 Ų3247.4 Ų47.415%0.1523%0.234CC..Hα-helixtrans-63-44179-72-55.1123.700112.2Q158 L159 T164 R165 V166 I311 A315Q158-E162 PolarHBondContact O-N 3Å; L159-E162 PolarHBondContact O-N 3.2Å; E162-T164 VanDerWaalsContact C-N 3.29Å; E162-T164 PolarHBondContact O-N 2.86Å; E162-R165 PolarHBondContact O-N 2.74Å; E162-R165 IonicContact OE1-CZ 3.41Å; E162-R165 IonicContact OE1-NH1 2.85Å; E162-R165 PolarHBondContact OE1-NH1 2.55Å; E162-V166 VanDerWaalsContact O-CG2 3.3Å; E162-V166 WeakPolarHBondContact O-CG2 3.43Å; E162-V166 PolarHBondContact O-N 3.32Å; E162-I311 HydrophobicContact CB-CG2 4.4Å; E162-I311 HydrophobicContact CG-CG2 4.01Å; E162-A315 HydrophobicContact CB-CB 3.73Å
163I96.6Very high95.3Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-58.5-44.3174.2-69.6170000110.7F99 L159 R165 V166 V167 T174 R182 A315 I318F99-I163 HydrophobicContact CE1-CD1 3.87Å; F99-I163 HydrophobicContact CZ-CD1 3.96Å; L159-I163 HydrophobicContact CD1-CD1 4.14Å; L159-I163 HydrophobicContact CD1-CG1 4.36Å; L159-I163 HydrophobicContact CG-CD1 3.93Å; L159-I163 WeakPolarHBondContact O-CB 3.4Å; L159-I163 VanDerWaalsContact O-CG1 3.26Å; L159-I163 WeakPolarHBondContact O-CG1 3.24Å; L159-I163 PolarHBondContact O-N 3.13Å; I163-R165 PolarHBondContact O-N 3.28Å; I163-V166 PolarHBondContact O-N 2.58Å; I163-V167 WeakPolarHBondContact O-CB 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.35Å; I163-V167 PolarHBondContact O-N 2.88Å; I163-V167 VanDerWaalsContact O-N 3.11Å; I163-T174 HydrophobicContact CB-CG2 4.09Å; I163-T174 HydrophobicContact CG2-CG2 3.79Å; I163-R182 HydrophobicContact CG2-CG 4.47Å; I163-A315 HydrophobicContact CG1-CB 3.65Å; I163-I318 HydrophobicContact CD1-CD1 4.36Å; I163-I318 HydrophobicContact CD1-CG2 4.41Å
164T97.1Very high95.2Very high17 Ų1738.1 Ų38.110%0.10419%0.193CC..Hα-helixtrans-65.3-40.1-178.9-56.60000111.7S160 M161 E162 V167 G168 G169 M171 T174S160-T164 VanDerWaalsContact O-CB 3.31Å; S160-T164 WeakPolarHBondContact O-CB 3.35Å; S160-T164 PolarHBondContact O-N 3.08Å; S160-T164 PolarHBondContact O-OG1 3.19Å; M161-T164 PolarHBondContact O-N 2.91Å; E162-T164 VanDerWaalsContact C-N 3.29Å; E162-T164 PolarHBondContact O-N 2.86Å; T164-V167 PolarHBondContact O-N 2.81Å; T164-G168 WeakPolarHBondContact O-CA 3.35Å; T164-G168 PolarHBondContact O-N 2.74Å; T164-G169 VanDerWaalsContact CG2-O 3.3Å; T164-G169 WeakPolarHBondContact CG2-O 3.48Å; T164-G169 PolarHBondContact O-N 3.4Å; T164-M171 HydrophobicContact CG2-CB 4.04Å; T164-M171 WeakPolarHBondContact OG1-CA 3.15Å; T164-T174 VanDerWaalsContact OG1-CB 3.32Å; T164-T174 WeakPolarHBondContact OG1-CB 3.47Å; T164-T174 PolarHBondContact OG1-OG1 3.26Å
165R96.3Very high95.2Very high164 Ų16436.3 Ų36.362%0.61918%0.183SC*.Hα-helixtrans-63.4-45.1175.7-74.8172.8174.4171.4-5112.2M161 E162 I163 V167M161-R165 WeakPolarHBondContact O-CG 3.1Å; M161-R165 PolarHBondContact O-N 2.9Å; M161-R165 PolarHBondContact SD-NH2 2.96Å; E162-R165 PolarHBondContact O-N 2.74Å; E162-R165 IonicContact OE1-CZ 3.41Å; E162-R165 IonicContact OE1-NH1 2.85Å; E162-R165 PolarHBondContact OE1-NH1 2.55Å; I163-R165 PolarHBondContact O-N 3.28Å; R165-V167 VanDerWaalsContact C-N 3.28Å; R165-V167 PolarHBondContact O-N 3.2Å
166V95.4Very high94.8Very high23 Ų2333.4 Ų33.414%0.13917%0.173CC..Hα-helixtrans-61.1-40178.8168.90000111.5E162 I163 L286 L316 T319E162-V166 VanDerWaalsContact O-CG2 3.3Å; E162-V166 WeakPolarHBondContact O-CG2 3.43Å; E162-V166 PolarHBondContact O-N 3.32Å; I163-V166 PolarHBondContact O-N 2.58Å; V166-L286 HydrophobicContact CG1-CD2 3.41Å; V166-L286 VanDerWaalsContact CG1-CD2 3.41Å; V166-L316 HydrophobicContact CG1-CD2 3.95Å; V166-L316 HydrophobicContact CG2-CD2 3.8Å; V166-L316 HydrophobicContact CG2-CG 4.28Å; V166-T319 HydrophobicContact CG1-CG2 4.07Å
167V95.5Very high94.2Very high3 Ų334.7 Ų34.72%0.01819%0.187CC..Hα-helixtrans-86.6-27.7-173.8164.80000113.2I163 T164 R165 R182 L186 H189 T319I163-V167 WeakPolarHBondContact O-CB 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.35Å; I163-V167 PolarHBondContact O-N 2.88Å; I163-V167 VanDerWaalsContact O-N 3.11Å; T164-V167 PolarHBondContact O-N 2.81Å; R165-V167 VanDerWaalsContact C-N 3.28Å; R165-V167 PolarHBondContact O-N 3.2Å; V167-R182 HydrophobicContact CG1-CB 4.15Å; V167-R182 WeakPolarHBondContact CG1-O 3.26Å; V167-R182 HydrophobicContact CG2-CB 4.12Å; V167-L186 HydrophobicContact CG1-CB 4.43Å; V167-L186 PolarHBondContact O-N 2.94Å; V167-H189 PolarHBondContact O-CD2 3.1Å; V167-T319 HydrophobicContact CG2-CG2 3.77Å
168G95.2Very high93.5Very high34 Ų3434.1 Ų34.135%0.35119%0.189SC..THydrogen-bonded Turntrans72.731.2-169.800000113.1T164 H189T164-G168 WeakPolarHBondContact O-CA 3.35Å; T164-G168 PolarHBondContact O-N 2.74Å; G168-H189 PolarHBondContact O-NE2 2.78Å
169G93.5Very high93.2Very high20 Ų2036.2 Ų36.221%0.20619%0.193CC..  trans-94.7-164.1-177.400000114.3T164T164-G169 VanDerWaalsContact CG2-O 3.3Å; T164-G169 WeakPolarHBondContact CG2-O 3.48Å; T164-G169 PolarHBondContact O-N 3.4Å
170I94.5Very high93Very high81 Ų8136.8 Ų36.842%0.41520%0.2SC..  trans-105.5125.2172.4-53.3176000108.8S172 K173 T174 Y185I170-S172 VanDerWaalsContact C-N 3.28Å; I170-S172 WeakPolarHBondContact CG2-OG 3.32Å; I170-S172 PolarHBondContact O-N 2.99Å; I170-K173 HydrophobicContact CB-CD 4.12Å; I170-K173 HydrophobicContact CB-CG 4.43Å; I170-K173 HydrophobicContact CD1-CD 4.26Å; I170-K173 WeakPolarHBondContact O-CB 3.45Å; I170-K173 PolarHBondContact O-N 2.76Å; I170-T174 PolarHBondContact O-N 3.28Å; I170-Y185 WeakPolarHBondContact CD1-OH 3.37Å
171M95.1Very high92.7Very high36 Ų3639 Ų3918%0.17721%0.21CC..Hα-helixtrans-59.2-36-174-170173.3176.700113.4L88 L157 M161 T164 K173 T174 M175L88-M171 HydrophobicContact CD1-CE 4.27Å; L88-M171 HydrophobicContact CD1-CG 4.21Å; L88-M171 HydrophobicContact CD1-SD 3.75Å; L88-M171 HydrophobicContact CD2-CB 4.26Å; L157-M171 WeakPolarHBondContact O-CE 3.46Å; M161-M171 HydrophobicContact CB-CE 4.07Å; M161-M171 HydrophobicContact CB-SD 4.45Å; T164-M171 HydrophobicContact CG2-CB 4.04Å; T164-M171 WeakPolarHBondContact OG1-CA 3.15Å; M171-K173 PolarHBondContact O-N 2.81Å; M171-T174 WeakPolarHBondContact O-CB 3.3Å; M171-T174 PolarHBondContact O-N 3.25Å; M171-T174 VanDerWaalsContact O-N 3.12Å; M171-M175 HydrophobicContact CE-SD 4.05Å; M171-M175 HydrophobicContact CG-CG 4.4Å; M171-M175 HydrophobicContact CG-SD 4.07Å; M171-M175 WeakPolarHBondContact O-CG 3.33Å; M171-M175 PolarHBondContact O-N 3.43Å
172S93.6Very high92.6Very high23 Ų2336 Ų3616%0.16119%0.194CC..Hα-helixtrans-60.3-31.617661.70000113I170 M176I170-S172 VanDerWaalsContact C-N 3.28Å; I170-S172 WeakPolarHBondContact CG2-OG 3.32Å; I170-S172 PolarHBondContact O-N 2.99Å; S172-M176 WeakPolarHBondContact O-CG 3.41Å
173K91.9Very high92.5Very high34 Ų3434.5 Ų34.515%0.14819%0.188CC..Hα-helixtrans-78.9-37.5175-67.7170.8164.8-167.10111.6R81 I170 M171 M175 M176 E181 Y185R81-K173 VanDerWaalsContact NH1-CE 3.28Å; I170-K173 HydrophobicContact CB-CD 4.12Å; I170-K173 HydrophobicContact CB-CG 4.43Å; I170-K173 HydrophobicContact CD1-CD 4.26Å; I170-K173 WeakPolarHBondContact O-CB 3.45Å; I170-K173 PolarHBondContact O-N 2.76Å; M171-K173 PolarHBondContact O-N 2.81Å; K173-M175 VanDerWaalsContact C-N 3.32Å; K173-M175 PolarHBondContact O-N 2.83Å; K173-M176 PolarHBondContact O-N 3.28Å; K173-E181 VanDerWaalsContact CD-CD 3.42Å; K173-E181 HydrophobicContact CD-CG 4.28Å; K173-E181 VanDerWaalsContact CD-OE1 3.3Å; K173-E181 WeakPolarHBondContact CD-OE1 3.42Å; K173-E181 WeakPolarHBondContact CD-OE2 3.49Å; K173-E181 WeakPolarHBondContact CE-OE1 3.44Å; K173-E181 IonicContact NZ-OE1 3.13Å; K173-E181 PolarHBondContact NZ-OE1 3.4Å; K173-Y185 HydrophobicContact CD-CE2 4.16Å; K173-Y185 PolarHBondContact NZ-OH 3.2Å
174T93.8Very high92.3Very high3 Ų335.5 Ų35.52%0.01819%0.193CC..Hα-helixtrans-55.6-49173.2-60.20000110.4I163 T164 I170 M171 M176 G177 R182I163-T174 HydrophobicContact CB-CG2 4.09Å; I163-T174 HydrophobicContact CG2-CG2 3.79Å; T164-T174 VanDerWaalsContact OG1-CB 3.32Å; T164-T174 WeakPolarHBondContact OG1-CB 3.47Å; T164-T174 PolarHBondContact OG1-OG1 3.26Å; I170-T174 PolarHBondContact O-N 3.28Å; M171-T174 WeakPolarHBondContact O-CB 3.3Å; M171-T174 PolarHBondContact O-N 3.25Å; M171-T174 VanDerWaalsContact O-N 3.12Å; T174-M176 PolarHBondContact O-N 3.36Å; T174-M176 VanDerWaalsContact O-N 3.14Å; T174-G177 PolarHBondContact O-N 3.41Å; T174-R182 PolarHBondContact O-NH2 2.93Å
175M92.7Very high92.3Very high2 Ų237.2 Ų37.21%0.0120%0.198CC..THydrogen-bonded Turntrans-67.2-15.3-176.9-65.8172.971.400114.3L88 C90 M95 L157 M171 K173L88-M175 HydrophobicContact CB-SD 4.1Å; L88-M175 HydrophobicContact CD1-SD 4.29Å; C90-M175 VanDerWaalsContact CA-CE 3.46Å; C90-M175 HydrophobicContact CB-CE 3.37Å; M95-M175 HydrophobicContact SD-CE 4.36Å; L157-M175 HydrophobicContact CD2-CE 3.67Å; M171-M175 HydrophobicContact CE-SD 4.05Å; M171-M175 HydrophobicContact CG-CG 4.4Å; M171-M175 HydrophobicContact CG-SD 4.07Å; M171-M175 WeakPolarHBondContact O-CG 3.33Å; M171-M175 PolarHBondContact O-N 3.43Å; K173-M175 VanDerWaalsContact C-N 3.32Å; K173-M175 PolarHBondContact O-N 2.83Å
176M87.7Confident92.2Very high21 Ų2129.6 Ų29.610%0.10317%0.169CC..THydrogen-bonded Turntrans-92.47.5-179.9-64.6176.98400114.2I40 K77 R81 S172 K173 T174I40-M176 HydrophobicContact CD1-CE 4.44Å; I40-M176 HydrophobicContact CD1-CG 4.37Å; K77-M176 VanDerWaalsContact C-CE 3.43Å; K77-M176 HydrophobicContact CB-CE 3.57Å; K77-M176 WeakPolarHBondContact O-CE 3.42Å; R81-M176 HydrophobicContact CB-CE 3.77Å; R81-M176 HydrophobicContact CB-SD 3.64Å; R81-M176 HydrophobicContact CG-CE 4.43Å; R81-M176 HydrophobicContact CG-SD 3.64Å; S172-M176 WeakPolarHBondContact O-CG 3.41Å; K173-M176 PolarHBondContact O-N 3.28Å; T174-M176 PolarHBondContact O-N 3.36Å; T174-M176 VanDerWaalsContact O-N 3.14Å
177G82.1Confident92.3Very high28 Ų2828.6 Ų28.629%0.28916%0.163SC..THydrogen-bonded Turntrans81.817.2176.400000115.3E98 T174 R179E98-G177 WeakPolarHBondContact OE2-CA 3.43Å; T174-G177 PolarHBondContact O-N 3.41Å; G177-R179 VanDerWaalsContact C-N 3.3Å; G177-R179 PolarHBondContact O-N 3.28Å
178G82.2Confident92.3Very high23 Ų2329.6 Ų29.624%0.23717%0.168CC..  trans-74.765.8-176.800000114.6A180 E181 R182G178-A180 VanDerWaalsContact C-N 3.35Å; G178-A180 PolarHBondContact O-N 2.97Å; G178-E181 PolarHBondContact O-N 3.43Å; G178-E181 VanDerWaalsContact O-N 3.08Å; G178-R182 WeakPolarHBondContact O-CG 3.43Å; G178-R182 PolarHBondContact O-N 3.42Å
179R89.5Confident92.4Very high130 Ų13032.8 Ų32.849%0.49117%0.174SC..Hα-helixtrans-54.5-45.2-178-61.7-178.9-167.41420.7113.6E98 G177 E181 R182 T183E98-R179 IonicContact OE1-NE 3.88Å; G177-R179 VanDerWaalsContact C-N 3.3Å; G177-R179 PolarHBondContact O-N 3.28Å; R179-E181 VanDerWaalsContact C-N 3.33Å; R179-E181 PolarHBondContact O-N 3.36Å; R179-R182 WeakPolarHBondContact O-CB 3.27Å; R179-R182 PolarHBondContact O-N 2.94Å; R179-T183 PolarHBondContact O-N 3.19Å
180A90.3Very high92.5Very high21 Ų2132 Ų3217%0.17417%0.165CC..Hα-helixtrans-63.5-40.1177.900000112.1G178 R182 T183 D184 F329G178-A180 VanDerWaalsContact C-N 3.35Å; G178-A180 PolarHBondContact O-N 2.97Å; A180-R182 VanDerWaalsContact C-N 3.29Å; A180-R182 PolarHBondContact O-N 3.25Å; A180-T183 PolarHBondContact O-N 2.99Å; A180-D184 VanDerWaalsContact O-CG 3.24Å; A180-D184 PolarHBondContact O-N 2.97Å; A180-F329 HydrophobicContact CB-CD1 3.72Å; A180-F329 HydrophobicContact CB-CE1 3.88Å
181E91.3Very high92.6Very high47 Ų4728.6 Ų28.622%0.2215%0.148CC..Hα-helixtrans-67.2-32.6179.6-169.4163.8-147.900111.5K173 G178 R179 D184 Y185K173-E181 VanDerWaalsContact CD-CD 3.42Å; K173-E181 HydrophobicContact CD-CG 4.28Å; K173-E181 VanDerWaalsContact CD-OE1 3.3Å; K173-E181 WeakPolarHBondContact CD-OE1 3.42Å; K173-E181 WeakPolarHBondContact CD-OE2 3.49Å; K173-E181 WeakPolarHBondContact CE-OE1 3.44Å; K173-E181 IonicContact NZ-OE1 3.13Å; K173-E181 PolarHBondContact NZ-OE1 3.4Å; G178-E181 PolarHBondContact O-N 3.43Å; G178-E181 VanDerWaalsContact O-N 3.08Å; R179-E181 VanDerWaalsContact C-N 3.33Å; R179-E181 PolarHBondContact O-N 3.36Å; E181-D184 WeakPolarHBondContact O-CB 3.36Å; E181-D184 PolarHBondContact O-N 2.99Å; E181-Y185 HydrophobicContact CG-CD2 4.22Å; E181-Y185 HydrophobicContact CG-CE2 3.97Å; E181-Y185 VanDerWaalsContact O-CD2 3.26Å; E181-Y185 WeakPolarHBondContact O-CD2 3.46Å; E181-Y185 PolarHBondContact O-N 3.47Å; E181-Y185 VanDerWaalsContact O-N 3.12Å
182R94.5Very high92.7Very high13 Ų1331.6 Ų31.65%0.04916%0.164CC..Hα-helixtrans-61.7-51.8172.1-64.8171.5-167161.97.6111.1E98 I163 V167 T174 G178 R179 A180 D184 Y185 L186E98-R182 IonicContact OE1-CZ 2.75Å; E98-R182 IonicContact OE1-NH1 3.79Å; E98-R182 PolarHBondContact OE1-NH1 3.25Å; E98-R182 IonicContact OE1-NH2 2.76Å; E98-R182 PolarHBondContact OE1-NH2 2.87Å; E98-R182 IonicContact OE2-CZ 2.72Å; E98-R182 IonicContact OE2-NH1 3.9Å; E98-R182 IonicContact OE2-NH2 3.19Å; E98-R182 PolarHBondContact OE2-NH2 3.43Å; I163-R182 HydrophobicContact CG2-CG 4.47Å; V167-R182 HydrophobicContact CG1-CB 4.15Å; V167-R182 WeakPolarHBondContact CG1-O 3.26Å; V167-R182 HydrophobicContact CG2-CB 4.12Å; T174-R182 PolarHBondContact O-NH2 2.93Å; G178-R182 WeakPolarHBondContact O-CG 3.43Å; G178-R182 PolarHBondContact O-N 3.42Å; R179-R182 WeakPolarHBondContact O-CB 3.27Å; R179-R182 PolarHBondContact O-N 2.94Å; A180-R182 VanDerWaalsContact C-N 3.29Å; A180-R182 PolarHBondContact O-N 3.25Å; R182-D184 PolarHBondContact O-N 3.37Å; R182-Y185 PolarHBondContact O-N 3.25Å; R182-L186 PolarHBondContact O-N 3.15Å; R182-L186 VanDerWaalsContact O-N 3.11Å
183T93.3Very high92.8Very high2 Ų234.8 Ų34.81%0.01219%0.187CC..Hα-helixtrans-63.8-32.6177.8-57.80000112.3R179 A180 L186 L187 V323 C326R179-T183 PolarHBondContact O-N 3.19Å; A180-T183 PolarHBondContact O-N 2.99Å; T183-L186 PolarHBondContact O-N 3.02Å; T183-L187 HydrophobicContact CG2-CD1 4.03Å; T183-L187 HydrophobicContact CG2-CG 4.24Å; T183-L187 WeakPolarHBondContact O-CG 3.44Å; T183-L187 PolarHBondContact O-N 3.21Å; T183-V323 HydrophobicContact CG2-CG2 4.43Å; T183-C326 WeakPolarHBondContact CB-SG 3.35Å; T183-C326 HydrophobicContact CG2-CB 3.75Å; T183-C326 PolarHBondContact OG1-SG 3.15Å
184D93.9Very high92.9Very high20 Ų2038 Ų3811%0.10721%0.205CC..Hα-helixtrans-57.8-50.4172.9-68.6-12.7000110.9A180 E181 R182 L186 L187 L188 S332 R333 F334A180-D184 VanDerWaalsContact O-CG 3.24Å; A180-D184 PolarHBondContact O-N 2.97Å; E181-D184 WeakPolarHBondContact O-CB 3.36Å; E181-D184 PolarHBondContact O-N 2.99Å; R182-D184 PolarHBondContact O-N 3.37Å; D184-L186 PolarHBondContact O-N 2.8Å; D184-L187 PolarHBondContact O-N 2.88Å; D184-L188 WeakPolarHBondContact O-CB 3.25Å; D184-L188 WeakPolarHBondContact O-CD1 3.39Å; D184-L188 WeakPolarHBondContact O-CG 3.33Å; D184-L188 PolarHBondContact O-N 2.91Å; D184-S332 PolarHBondContact OD1-OG 3.43Å; D184-R333 HydrophobicContact CB-CB 4.43Å; D184-R333 WeakPolarHBondContact OD1-CB 3.42Å; D184-R333 PolarHBondContact OD1-N 2.89Å; D184-R333 WeakPolarHBondContact OD2-CB 3.5Å; D184-F334 HydrophobicContact CB-CD2 4.48Å; D184-F334 HydrophobicContact CB-CE2 4.45Å
185Y95.4Very high93Very high54 Ų5441.2 Ų41.221%0.21224%0.239CC..Hα-helixtrans-60.6-43.8177.7-84-79.4000112.6I170 K173 E181 R182 L187 L188 H189I170-Y185 WeakPolarHBondContact CD1-OH 3.37Å; K173-Y185 HydrophobicContact CD-CE2 4.16Å; K173-Y185 PolarHBondContact NZ-OH 3.2Å; E181-Y185 HydrophobicContact CG-CD2 4.22Å; E181-Y185 HydrophobicContact CG-CE2 3.97Å; E181-Y185 VanDerWaalsContact O-CD2 3.26Å; E181-Y185 WeakPolarHBondContact O-CD2 3.46Å; E181-Y185 PolarHBondContact O-N 3.47Å; E181-Y185 VanDerWaalsContact O-N 3.12Å; R182-Y185 PolarHBondContact O-N 3.25Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-L187 PolarHBondContact O-N 2.9Å; Y185-L188 PolarHBondContact O-N 2.9Å; Y185-H189 PolarHBondContact O-CD2 3.3Å; Y185-H189 PolarHBondContact O-N 3.45Å
186L95.8Very high93.1Very high3 Ų346.5 Ų46.52%0.01626%0.259CS..Hα-helixtrans-55.6-49.6177.8176.368.8000111.2V167 R182 T183 D184 A190 L286 T319 V323V167-L186 HydrophobicContact CG1-CB 4.43Å; V167-L186 PolarHBondContact O-N 2.94Å; R182-L186 PolarHBondContact O-N 3.15Å; R182-L186 VanDerWaalsContact O-N 3.11Å; T183-L186 PolarHBondContact O-N 3.02Å; D184-L186 PolarHBondContact O-N 2.8Å; L186-A190 PolarHBondContact O-N 2.98Å; L186-L286 HydrophobicContact CD2-CD1 4.02Å; L186-T319 HydrophobicContact CD2-CG2 4.11Å; L186-V323 HydrophobicContact CD2-CG2 4.21Å
187L95.9Very high93.5Very high2 Ų252.4 Ų52.41%0.0130%0.296CS..Hα-helixtrans-72.7-34.7-179.4-65.8-179.9000112.2T183 D184 Y185 H189 A190 F191 F252 L279 F334T183-L187 HydrophobicContact CG2-CD1 4.03Å; T183-L187 HydrophobicContact CG2-CG 4.24Å; T183-L187 WeakPolarHBondContact O-CG 3.44Å; T183-L187 PolarHBondContact O-N 3.21Å; D184-L187 PolarHBondContact O-N 2.88Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-L187 PolarHBondContact O-N 2.9Å; L187-H189 PolarHBondContact O-N 3.25Å; L187-A190 PolarHBondContact O-N 3.19Å; L187-F191 HydrophobicContact CB-CD2 4.22Å; L187-F191 HydrophobicContact CB-CE2 4.3Å; L187-F191 WeakPolarHBondContact O-CB 3.28Å; L187-F191 WeakPolarHBondContact O-CD2 3.45Å; L187-F191 PolarHBondContact O-N 3.36Å; L187-F252 HydrophobicContact CD1-CE2 4.24Å; L187-F252 HydrophobicContact CD1-CZ 4.47Å; L187-L279 HydrophobicContact CD2-CD1 3.81Å; L187-F334 HydrophobicContact CB-CD1 4.27Å; L187-F334 HydrophobicContact CB-CD2 3.89Å; L187-F334 HydrophobicContact CB-CE1 3.98Å; L187-F334 HydrophobicContact CB-CE2 3.58Å; L187-F334 HydrophobicContact CB-CG 4.23Å; L187-F334 HydrophobicContact CB-CZ 3.62Å; L187-F334 HydrophobicContact CD1-CB 3.79Å; L187-F334 HydrophobicContact CD1-CD1 4.01Å; L187-F334 HydrophobicContact CD1-CD2 3.81Å; L187-F334 HydrophobicContact CD1-CE2 4.37Å; L187-F334 HydrophobicContact CD1-CG 3.6Å; L187-F334 HydrophobicContact CG-CD2 4.47Å
188L96.3Very high94Very high25 Ų2555 Ų5513%0.13130%0.298CS..Hα-helixtrans-59.9-46.7175.2-73.6165.1000111.6D184 Y185 A190 N192 Y198 R333 F334D184-L188 WeakPolarHBondContact O-CB 3.25Å; D184-L188 WeakPolarHBondContact O-CD1 3.39Å; D184-L188 WeakPolarHBondContact O-CG 3.33Å; D184-L188 PolarHBondContact O-N 2.91Å; Y185-L188 PolarHBondContact O-N 2.9Å; L188-A190 VanDerWaalsContact C-N 3.34Å; L188-A190 PolarHBondContact O-N 3.48Å; L188-N192 WeakPolarHBondContact O-CB 3.39Å; L188-N192 PolarHBondContact O-N 3.05Å; L188-Y198 HydrophobicContact CD2-CD1 4.05Å; L188-Y198 HydrophobicContact CD2-CD2 3.32Å; L188-Y198 HydrophobicContact CD2-CE1 4.19Å; L188-Y198 HydrophobicContact CD2-CE2 3.49Å; L188-Y198 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y198 HydrophobicContact CD2-CG 3.61Å; L188-R333 VanDerWaalsContact CD1-NH1 3.29Å; L188-R333 VanDerWaalsContact CD2-CZ 3.41Å; L188-R333 VanDerWaalsContact CD2-NH1 3.33Å; L188-F334 HydrophobicContact CD2-CE2 4.23Å; L188-F334 HydrophobicContact CD2-CZ 3.96Å; L188-F334 HydrophobicContact CG-CE2 3.99Å; L188-F334 HydrophobicContact CG-CZ 4.07Å
189H96.8Very high94.4Very high100 Ų10056.9 Ų56.946%0.46331%0.306SS..Hα-helixtrans-60.5-44.4175.8-74.9-60.1000111.7V167 G168 Y185 L187 N192 S193V167-H189 PolarHBondContact O-CD2 3.1Å; G168-H189 PolarHBondContact O-NE2 2.78Å; Y185-H189 PolarHBondContact O-CD2 3.3Å; Y185-H189 PolarHBondContact O-N 3.45Å; L187-H189 PolarHBondContact O-N 3.25Å; H189-N192 PolarHBondContact O-N 3.07Å; H189-S193 WeakPolarHBondContact O-CB 3.3Å; H189-S193 PolarHBondContact O-N 3.07Å; H189-S193 PolarHBondContact O-OG 2.8Å
190A96Very high94.5Very high3 Ų358.8 Ų58.83%0.02532%0.321CS..Hα-helixtrans-66.1-44.8-179.300000113.4L186 L187 L188 S193 L194 V278 E282L186-A190 PolarHBondContact O-N 2.98Å; L187-A190 PolarHBondContact O-N 3.19Å; L188-A190 VanDerWaalsContact C-N 3.34Å; L188-A190 PolarHBondContact O-N 3.48Å; A190-S193 PolarHBondContact O-OG 3.25Å; A190-L194 WeakPolarHBondContact O-CG 3.31Å; A190-L194 PolarHBondContact O-N 3.14Å; A190-V278 HydrophobicContact CB-CG1 3.85Å; A190-E282 HydrophobicContact CB-CG 3.5Å; A190-E282 VanDerWaalsContact CB-CG 3.5Å
191F96.7Very high94.4Very high11 Ų1163 Ų635%0.04834%0.335CS..Hα-helixtrans-69.5-38.3176.8-79.2-69.4000111.6L187 L194 G195 Y196 Y198 F252 T253 V278 F334L187-F191 HydrophobicContact CB-CD2 4.22Å; L187-F191 HydrophobicContact CB-CE2 4.3Å; L187-F191 WeakPolarHBondContact O-CB 3.28Å; L187-F191 WeakPolarHBondContact O-CD2 3.45Å; L187-F191 PolarHBondContact O-N 3.36Å; F191-L194 PolarHBondContact O-N 2.9Å; F191-G195 PolarHBondContact O-N 2.9Å; F191-Y196 HydrophobicContact CD1-CD1 4.27Å; F191-Y196 HydrophobicContact CD1-CD2 4.28Å; F191-Y196 AromaticContact CD1-CG 3.83Å; F191-Y196 HydrophobicContact CD1-CG 3.83Å; F191-Y196 HydrophobicContact CE1-CG 4.47Å; F191-Y196 PolarHBondContact O-N 3.38Å; F191-Y198 HydrophobicContact CB-CD1 4.15Å; F191-F252 HydrophobicContact CE2-CD2 4.16Å; F191-F252 HydrophobicContact CE2-CE2 4.43Å; F191-F252 HydrophobicContact CZ-CB 4.24Å; F191-F252 AromaticContact CZ-CD2 3.72Å; F191-F252 HydrophobicContact CZ-CD2 3.72Å; F191-F252 HydrophobicContact CZ-CE2 4.42Å; F191-F252 HydrophobicContact CZ-CG 4.19Å; F191-T253 HydrophobicContact CE1-CG2 4.3Å; F191-V278 HydrophobicContact CD1-CB 4.49Å; F191-V278 HydrophobicContact CD1-CG1 4.25Å; F191-V278 HydrophobicContact CD1-CG2 4.09Å; F191-V278 HydrophobicContact CE1-CB 3.99Å; F191-V278 HydrophobicContact CE1-CG1 4.13Å; F191-V278 HydrophobicContact CE1-CG2 3.72Å; F191-V278 HydrophobicContact CE2-CG1 4.42Å; F191-V278 HydrophobicContact CG-CG1 4.46Å; F191-V278 HydrophobicContact CZ-CB 4.15Å; F191-V278 HydrophobicContact CZ-CG1 4.21Å; F191-V278 HydrophobicContact CZ-CG2 4.38Å; F191-F334 HydrophobicContact CD2-CD1 4.43Å; F191-F334 AromaticContact CD2-CE1 3.54Å; F191-F334 HydrophobicContact CD2-CE1 3.54Å; F191-F334 HydrophobicContact CD2-CZ 4.06Å; F191-F334 HydrophobicContact CE2-CD1 4.04Å; F191-F334 AromaticContact CE2-CE1 3.59Å; F191-F334 HydrophobicContact CE2-CE1 3.59Å; F191-F334 HydrophobicContact CE2-CZ 4.46Å
192N96.3Very high94.1Very high99 Ų9967.8 Ų67.853%0.52936%0.357SS..Hα-helixtrans-64.9-44.1178.4-171.879.9000112.2L188 H189 L194 G195 Y198L188-N192 WeakPolarHBondContact O-CB 3.39Å; L188-N192 PolarHBondContact O-N 3.05Å; H189-N192 PolarHBondContact O-N 3.07Å; N192-L194 PolarHBondContact O-N 3.25Å; N192-G195 PolarHBondContact O-N 2.87Å; N192-G195 VanDerWaalsContact O-N 3.14Å; N192-Y198 HydrophobicContact CB-CE1 4.1Å
193S95.6Very high93Very high90 Ų9075.1 Ų75.163%0.62939%0.39SS*.Hα-helixtrans-65.1-24.8178.864.80000113.2H189 A190H189-S193 WeakPolarHBondContact O-CB 3.3Å; H189-S193 PolarHBondContact O-N 3.07Å; H189-S193 PolarHBondContact O-OG 2.8Å; A190-S193 PolarHBondContact O-OG 3.25Å
194L95.4Very high91.5Very high101 Ų10182.2 Ų82.253%0.52942%0.421SS..THydrogen-bonded Turntrans-93.75.9177.2-64.7174.3000113.6A190 F191 N192 Y196 V278A190-L194 WeakPolarHBondContact O-CG 3.31Å; A190-L194 PolarHBondContact O-N 3.14Å; F191-L194 PolarHBondContact O-N 2.9Å; N192-L194 PolarHBondContact O-N 3.25Å; L194-Y196 VanDerWaalsContact C-N 3.3Å; L194-Y196 HydrophobicContact CB-CD2 3.71Å; L194-Y196 HydrophobicContact CB-CE2 4.04Å; L194-Y196 PolarHBondContact O-N 2.65Å; L194-V278 HydrophobicContact CD1-CB 4.27Å; L194-V278 HydrophobicContact CD1-CG1 3.95Å; L194-V278 HydrophobicContact CD1-CG2 3.61Å
195G95.4Very high89.1Confident71 Ų7191.8 Ų91.873%0.73246%0.461SS*.THydrogen-bonded Turntrans71.518.3178.100000115.1F191 N192F191-G195 PolarHBondContact O-N 2.9Å; N192-G195 PolarHBondContact O-N 2.87Å; N192-G195 VanDerWaalsContact O-N 3.14Å
196Y95.9Very high86.7Confident113 Ų11392 Ų9244%0.44348%0.48SS..  trans-82.7145.8176.7-80.7-100.2000112.1F191 L194 T253 V278F191-Y196 HydrophobicContact CD1-CD1 4.27Å; F191-Y196 HydrophobicContact CD1-CD2 4.28Å; F191-Y196 AromaticContact CD1-CG 3.83Å; F191-Y196 HydrophobicContact CD1-CG 3.83Å; F191-Y196 HydrophobicContact CE1-CG 4.47Å; F191-Y196 PolarHBondContact O-N 3.38Å; L194-Y196 VanDerWaalsContact C-N 3.3Å; L194-Y196 HydrophobicContact CB-CD2 3.71Å; L194-Y196 HydrophobicContact CB-CE2 4.04Å; L194-Y196 PolarHBondContact O-N 2.65Å; Y196-T253 HydrophobicContact CE1-CG2 3.74Å; Y196-V278 HydrophobicContact CE2-CG2 4.38Å
197V95Very high84.2Confident145 Ų145102.2 Ų102.288%0.87952%0.524SS*.  trans-76.6125.7160.2-176.80000108.7
198Y92.5Very high81.9Confident82 Ų82107.1 Ų107.132%0.32255%0.554SS.*  trans-105.6160.2177.947.5-106.6000111.6L188 F191 N192 R333L188-Y198 HydrophobicContact CD2-CD1 4.05Å; L188-Y198 HydrophobicContact CD2-CD2 3.32Å; L188-Y198 HydrophobicContact CD2-CE1 4.19Å; L188-Y198 HydrophobicContact CD2-CE2 3.49Å; L188-Y198 VanDerWaalsContact CD2-CE2 3.49Å; L188-Y198 HydrophobicContact CD2-CG 3.61Å; F191-Y198 HydrophobicContact CB-CD1 4.15Å; N192-Y198 HydrophobicContact CB-CE1 4.1Å; Y198-R333 VanDerWaalsContact CD2-NH2 3.28Å
199P91.4Very high79.5Confident63 Ų63115 Ų11541%0.40959%0.587SS.*  trans-57.9145.1-176.8-24.233.8000112.8R333 F334P199-R333 PolarHBondContact O-NE 2.9Å; P199-R333 PolarHBondContact O-NH2 2.69Å; P199-F334 HydrophobicContact CG-CD1 4.33Å; P199-F334 HydrophobicContact CG-CE1 4.41Å
200E91.7Very high77.3Confident170 Ų170122 Ų12279%0.79461%0.61SS**  trans-70.6155.3169.2-67.9-176.717900111.8Q202E200-Q202 PolarHBondContact O-N 3.38Å
201K87.3Confident75.3Confident110 Ų110130.1 Ų130.148%0.47865%0.645SS.*  trans-73.8114177.4-172.6171.7-175.6169.90109.9F203K201-F203 HydrophobicContact CB-CE2 4.45Å; K201-F203 HydrophobicContact CD-CE1 4.45Å; K201-F203 HydrophobicContact CD-CZ 4.07Å; K201-F203 HydrophobicContact CG-CE2 4.38Å; K201-F203 HydrophobicContact CG-CZ 4.28Å; K201-F203 WeakPolarHBondContact O-CD2 3.45Å
202Q84.1Confident73.8Confident147 Ų147138.4 Ų138.469%0.68768%0.681SS**  trans-80.2128.5177-63.1-169.4-0.400111.9E200E200-Q202 PolarHBondContact O-N 3.38Å
203F73.3Confident72.6Confident167 Ų167138.3 Ų138.373%0.73269%0.693SS**  trans-104.282.4172.5-62.1-88.6000109.9K201 K205K201-F203 HydrophobicContact CB-CE2 4.45Å; K201-F203 HydrophobicContact CD-CE1 4.45Å; K201-F203 HydrophobicContact CD-CZ 4.07Å; K201-F203 HydrophobicContact CG-CE2 4.38Å; K201-F203 HydrophobicContact CG-CZ 4.28Å; K201-F203 WeakPolarHBondContact O-CD2 3.45Å; F203-K205 PolarHBondContact O-N 3.44Å
204K61.5Low71.8Confident151 Ų151136.4 Ų136.466%0.65768%0.68SS**  trans-72.9113174.6-72.5-178.1-178.8168.20109.8G206K204-G206 PolarHBondContact O-N 2.66Å
205K43.5Very low71.4Confident221 Ų221133.6 Ų133.696%0.96166%0.663SS**  trans-74.4101.9168.2-73.4-176.7178.7176.80109.1F203F203-K205 PolarHBondContact O-N 3.44Å
206G44.4Very low71Confident58 Ų58134.4 Ų134.460%0.59865%0.653SS**SBendtrans163.4136.3169.500000113.3K204 T208K204-G206 PolarHBondContact O-N 2.66Å; G206-T208 PolarHBondContact O-N 3.39Å
207K43.7Very low70.8Confident217 Ų217130.5 Ų130.594%0.94365%0.648SS**  trans-61.6101.8168.9-70.9-175.1178.8179.40107.8K209K207-K209 PolarHBondContact O-N 2.88Å
208T47.2Very low70.5Confident106 Ų106125.2 Ų125.265%0.6562%0.622SS**  trans-64.6100.6169.532.10000107.5G206 R210G206-T208 PolarHBondContact O-N 3.39Å; T208-R210 PolarHBondContact O-N 2.97Å
209K45.8Very low70.6Confident190 Ų190123.5 Ų123.583%0.82662%0.618SS**  trans-45.4132.9162.6-76.6-176.8178.2177.20106.7K207 K211K207-K209 PolarHBondContact O-N 2.88Å; K209-K211 VanDerWaalsContact C-N 3.32Å; K209-K211 WeakPolarHBondContact O-CG 3.5Å; K209-K211 PolarHBondContact O-N 2.74Å
210R50Low70.7Confident247 Ų247121.8 Ų121.893%0.93261%0.607SS**  trans-4899.9174.9-125.8179.3174.7165.3-1.5107.2T208T208-R210 PolarHBondContact O-N 2.97Å
211K55.2Low70.8Confident174 Ų174115 Ų11576%0.75758%0.576SS**PPolyproline II helixtrans-73.8148.9-172.8-66.1-167.9178.1-176.90107.3K209K209-K211 VanDerWaalsContact C-N 3.32Å; K209-K211 WeakPolarHBondContact O-CG 3.5Å; K209-K211 PolarHBondContact O-N 2.74Å
212K64.8Low71Confident185 Ų185116.4 Ų116.480%0.80458%0.584SS**PPolyproline II helixtrans-50.4154.4165.9-68.1-177177.5-177.30109.1S214K212-S214 PolarHBondContact O-N 2.94Å; K212-S214 VanDerWaalsContact O-N 3.17Å
213A70.7Confident71.4Confident96 Ų96110.1 Ų110.179%0.79356%0.556SS**PPolyproline II helixtrans-47.6125.7175.400000109.5
214S79.3Confident72.5Confident50 Ų50106 Ų10635%0.3554%0.538SS..SBendtrans-85.8-13.4-173.956.40000112.6K212 K337K212-S214 PolarHBondContact O-N 2.94Å; K212-S214 VanDerWaalsContact O-N 3.17Å; S214-K337 WeakPolarHBondContact O-CE 3.13Å; S214-K337 PolarHBondContact O-NZ 3.42Å
215Y86.4Confident74Confident43 Ų43103.7 Ų103.717%0.16953%0.528CS..SBendtrans-153.9163.6176.161.5-83.8000109.7Y324 K337 A340 A341 T344Y215-Y324 PolarHBondContact OH-OH 2.77Å; Y215-Y324 VanDerWaalsContact OH-OH 3.04Å; Y215-K337 HydrophobicContact CD1-CG 4.25Å; Y215-A340 HydrophobicContact CE1-CB 4.13Å; Y215-A340 HydrophobicContact CE2-CB 4.04Å; Y215-A341 HydrophobicContact CD2-CB 4.36Å; Y215-A341 HydrophobicContact CG-CB 4.42Å; Y215-T344 HydrophobicContact CD2-CG2 4.45Å; Y215-T344 HydrophobicContact CE2-CG2 3.9Å
216T88.4Confident76.3Confident87 Ų8793.8 Ų93.853%0.53449%0.489SS..  trans-71128.1179.4-50.80000111.4T344 R348T216-T344 WeakPolarHBondContact O-CB 3.4Å; T216-T344 PolarHBondContact O-OG1 2.84Å; T216-R348 PolarHBondContact O-NH1 2.94Å
217G90.8Very high78.7Confident32 Ų3293.6 Ų93.633%0.3347%0.471SS..  trans-82.2-154.9179.400000114.8R348G217-R348 PolarHBondContact O-NH1 3.19Å
218G89.7Confident81.1Confident33 Ų3384.3 Ų84.334%0.3443%0.43SS..  trans-63.7157.817300000113.2
219L92.9Very high83.2Confident46 Ų4684 Ų8424%0.24143%0.425CS..  trans-86.9137.5175.5176.364.6000109.6L221 R348 L351 I352 T370L219-L221 HydrophobicContact CD2-CD2 3.81Å; L219-L221 HydrophobicContact CG-CD2 4.11Å; L219-R348 HydrophobicContact CB-CB 4.04Å; L219-R348 HydrophobicContact CB-CG 3.65Å; L219-L351 HydrophobicContact CB-CD2 4.06Å; L219-L351 HydrophobicContact CD2-CD2 4.2Å; L219-L351 HydrophobicContact CG-CD2 4.19Å; L219-I352 HydrophobicContact CD2-CD1 3.81Å; L219-I352 HydrophobicContact CD2-CG1 3.5Å; L219-I352 VanDerWaalsContact CD2-CG1 3.5Å; L219-T370 WeakPolarHBondContact O-CA 3.42Å; L219-T370 PolarHBondContact O-N 3.3Å
220V94Very high85.5Confident28 Ų2878.4 Ų78.417%0.1740%0.4CS..BIsolated β-bridgetrans-121.9113.1169.2-173.80000107.3Y367 D369 K415V220-Y367 HydrophobicContact CG1-CE2 3.84Å; V220-Y367 WeakPolarHBondContact CG1-OH 3.42Å; V220-D369 WeakPolarHBondContact CG2-OD1 3.45Å; V220-K415 HydrophobicContact CB-CD 4.16Å; V220-K415 HydrophobicContact CG1-CB 4.05Å; V220-K415 HydrophobicContact CG1-CD 3.72Å; V220-K415 HydrophobicContact CG1-CG 3.86Å; V220-K415 PolarHBondContact O-NZ 2.95Å
221L93.3Very high87.6Confident26 Ų2668 Ų6814%0.13636%0.362CS..PPolyproline II helixtrans-63.4150178.9-58.8-179.7000109.8L219 P223 L351 K355 V365 G368 L373L219-L221 HydrophobicContact CD2-CD2 3.81Å; L219-L221 HydrophobicContact CG-CD2 4.11Å; L221-P223 WeakPolarHBondContact O-CD 3.45Å; L221-L351 HydrophobicContact CG-CD2 4.39Å; L221-K355 HydrophobicContact CD1-CD 3.97Å; L221-K355 HydrophobicContact CD1-CG 4.39Å; L221-K355 HydrophobicContact CD2-CD 4.35Å; L221-V365 HydrophobicContact CD1-CG1 4.26Å; L221-G368 PolarHBondContact N-O 3.28Å; L221-L373 HydrophobicContact CD1-CD2 3.83Å
222E91.8Very high89.6Confident141 Ų14159.8 Ų59.866%0.65933%0.326SS*.PPolyproline II helixtrans-67.5124.2171.5-70.4-57.1149.300109.1K415E222-K415 WeakPolarHBondContact OE1-CE 3.5Å; E222-K415 IonicContact OE1-NZ 2.69Å; E222-K415 PolarHBondContact OE1-NZ 3.21Å; E222-K415 WeakPolarHBondContact OE2-CE 3.45Å; E222-K415 IonicContact OE2-NZ 3.2Å
223P93.9Very high91Very high15 Ų1551 Ų5110%0.09729%0.287CS..PPolyproline II helixtrans-69.5136.3178.927.9-33000110.3L221 K225 Y367 L412 K415L221-P223 WeakPolarHBondContact O-CD 3.45Å; P223-K225 PolarHBondContact O-N 2.95Å; P223-K225 VanDerWaalsContact O-N 3.08Å; P223-Y367 HydrophobicContact CB-CD2 3.71Å; P223-Y367 HydrophobicContact CB-CE2 4.3Å; P223-Y367 HydrophobicContact CB-CG 4.44Å; P223-Y367 HydrophobicContact CG-CD2 4.47Å; P223-L412 HydrophobicContact CB-CD1 3.99Å; P223-L412 HydrophobicContact CB-CD2 3.7Å; P223-L412 HydrophobicContact CB-CG 3.79Å; P223-K415 HydrophobicContact CG-CG 4.4Å
224K95Very high92.1Very high81 Ų8146.8 Ų46.835%0.35225%0.252SS..  trans-73.297.1161.4-65.3-176.2-178.8169.70107.2Y228 E364 V365 V366 L412K224-Y228 WeakPolarHBondContact CB-OH 3.28Å; K224-Y228 PolarHBondContact O-OH 2.9Å; K224-E364 HydrophobicContact CD-CG 4.4Å; K224-E364 WeakPolarHBondContact CD-OE1 3.46Å; K224-E364 WeakPolarHBondContact CE-OE1 3.31Å; K224-E364 IonicContact NZ-OE1 2.98Å; K224-E364 PolarHBondContact NZ-OE1 2.64Å; K224-V365 WeakPolarHBondContact CE-O 3.48Å; K224-V365 PolarHBondContact NZ-O 3.09Å; K224-V366 HydrophobicContact CB-CB 4.47Å; K224-V366 PolarHBondContact N-O 2.84Å; K224-L412 WeakPolarHBondContact O-CD2 3.31Å
225K92.9Very high92.7Very high102 Ų10244.5 Ų44.544%0.44324%0.235SC..  trans-65.4137.7-176.3-57.3-177.3-178170.30109.8P223 L412 L413P223-K225 PolarHBondContact O-N 2.95Å; P223-K225 VanDerWaalsContact O-N 3.08Å; K225-L412 WeakPolarHBondContact CA-O 3.33Å; K225-L413 WeakPolarHBondContact CD-O 3.44Å; K225-L413 VanDerWaalsContact CE-O 3.23Å; K225-L413 WeakPolarHBondContact CE-O 3.4Å; K225-L413 VanDerWaalsContact CG-O 3.26Å; K225-L413 WeakPolarHBondContact CG-O 3.12Å
226G93.1Very high92.9Very high13 Ų1344.1 Ų44.113%0.13424%0.236CC..EExtended strand (participates in β ladder)trans164172.2179.500000112.7L412G226-L412 PolarHBondContact N-O 2.88Å; G226-L412 VanDerWaalsContact N-O 3.14Å; G226-L412 PolarHBondContact O-N 3.26Å
227F94.3Very high92.9Very high53 Ų5340.1 Ų40.123%0.23221%0.211CC..EExtended strand (participates in β ladder)trans-96.8131.3165.6177.5-115.5000109.3D229 K409 L411 I462 L463F227-D229 HydrophobicContact CE1-CB 4.12Å; F227-K409 HydrophobicContact CE2-CB 4.47Å; F227-K409 HydrophobicContact CZ-CD 4.16Å; F227-L411 HydrophobicContact CB-CD1 4.37Å; F227-L411 HydrophobicContact CD2-CB 4.48Å; F227-L411 HydrophobicContact CD2-CD1 4.5Å; F227-I462 HydrophobicContact CD2-CG2 3.88Å; F227-I462 HydrophobicContact CE2-CG2 3.81Å; F227-I462 VanDerWaalsContact CE2-O 3.31Å; F227-I462 WeakPolarHBondContact CE2-O 2.85Å; F227-I462 VanDerWaalsContact CZ-O 3.3Å; F227-I462 WeakPolarHBondContact CZ-O 3.35Å; F227-L463 HydrophobicContact CE2-CD2 4.44Å
228Y94.2Very high92.5Very high22 Ų2241.4 Ų41.49%0.08621%0.211CC..EExtended strand (participates in β ladder)trans-117.5115.9178.8-61.6-90.1000108.5K224 I232 V366 K376 K409 L410 L412K224-Y228 WeakPolarHBondContact CB-OH 3.28Å; K224-Y228 PolarHBondContact O-OH 2.9Å; Y228-I232 HydrophobicContact CD1-CD1 4.02Å; Y228-I232 HydrophobicContact CG-CD1 4.03Å; Y228-I232 HydrophobicContact CG-CG1 4.49Å; Y228-V366 HydrophobicContact CD1-CG1 4.49Å; Y228-V366 HydrophobicContact CE1-CB 4.41Å; Y228-V366 HydrophobicContact CE1-CG1 3.6Å; Y228-V366 HydrophobicContact CE2-CB 4.44Å; Y228-V366 HydrophobicContact CE2-CG1 4.48Å; Y228-V366 WeakPolarHBondContact OH-CG1 3.34Å; Y228-K376 HydrophobicContact CD1-CD 4.18Å; Y228-K376 HydrophobicContact CD1-CG 4.35Å; Y228-K376 HydrophobicContact CE1-CD 4.07Å; Y228-K409 WeakPolarHBondContact O-CA 3.38Å; Y228-L410 HydrophobicContact CD2-CB 4.4Å; Y228-L410 HydrophobicContact CD2-CD2 4.17Å; Y228-L410 HydrophobicContact CD2-CG 4.35Å; Y228-L410 PolarHBondContact N-O 2.89Å; Y228-L410 PolarHBondContact O-N 3.49Å; Y228-L412 HydrophobicContact CE2-CB 4.28Å; Y228-L412 HydrophobicContact CE2-CD2 4.47Å
229D91.8Very high92.3Very high99 Ų9941.1 Ų41.153%0.52920%0.203SC..  trans-92-13.1-177.364.8-28.3000113.7F227F227-D229 HydrophobicContact CE1-CB 4.12Å
230K92.8Very high92.2Very high73 Ų7339.1 Ų39.132%0.31719%0.193SC..SBendtrans-102.4166.3175.8-59.6-172.7175.7-170.50112.1I232 N378 K408K230-I232 PolarHBondContact O-N 3.36Å; K230-N378 HydrophobicContact CD-CB 4.41Å; K230-N378 WeakPolarHBondContact CD-O 3.45Å; K230-N378 PolarHBondContact NZ-O 3.44Å; K230-K408 CarbonylContact C-O 3.6Å
231Y95.5Very high92.2Very high30 Ų3039.3 Ų39.312%0.11819%0.191CC..  trans-58.3135-179-72.6-48.9000113.1T377 S379 N380 L382 V385 V406 Y407 K408 M423Y231-T377 PolarHBondContact O-N 2.7Å; Y231-T377 PolarHBondContact O-OG1 3.46Å; Y231-S379 WeakPolarHBondContact CB-O 3.28Å; Y231-S379 WeakPolarHBondContact CD2-O 3.04Å; Y231-S379 PolarHBondContact N-O 2.91Å; Y231-N380 WeakPolarHBondContact CE2-O 3.42Å; Y231-L382 HydrophobicContact CE2-CB 4.12Å; Y231-V385 HydrophobicContact CD2-CG2 4.12Å; Y231-V385 HydrophobicContact CG-CG2 4.43Å; Y231-V406 HydrophobicContact CD1-CG1 3.64Å; Y231-V406 HydrophobicContact CE1-CG1 4.39Å; Y231-V406 HydrophobicContact CG-CG1 3.9Å; Y231-Y407 CarbonylContact C-O 3.51Å; Y231-Y407 VanDerWaalsContact CA-O 3.28Å; Y231-Y407 WeakPolarHBondContact CA-O 3.49Å; Y231-K408 VanDerWaalsContact CD1-CA 3.44Å; Y231-K408 HydrophobicContact CD1-CB 4.27Å; Y231-K408 VanDerWaalsContact CE1-CA 3.5Å; Y231-K408 HydrophobicContact CE1-CB 3.79Å; Y231-K408 HydrophobicContact CE1-CG 3.88Å; Y231-M423 HydrophobicContact CE1-CE 4.42Å; Y231-M423 HydrophobicContact CE1-CG 4.21Å; Y231-M423 HydrophobicContact CE1-SD 4.12Å
232I96.3Very high92.1Very high1 Ų138.3 Ų38.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-111.5124.2169.2-56.9-60.5000108.4Y228 K230 V366 M374 I375 K376 V406 Y407 L410Y228-I232 HydrophobicContact CD1-CD1 4.02Å; Y228-I232 HydrophobicContact CG-CD1 4.03Å; Y228-I232 HydrophobicContact CG-CG1 4.49Å; K230-I232 PolarHBondContact O-N 3.36Å; I232-V366 HydrophobicContact CG2-CG2 4.39Å; I232-M374 HydrophobicContact CG2-CB 3.9Å; I232-M374 HydrophobicContact CG2-CG 4.49Å; I232-I375 CarbonylContact C-O 3.48Å; I232-I375 WeakPolarHBondContact CA-O 3.48Å; I232-K376 HydrophobicContact CD1-CB 3.94Å; I232-K376 HydrophobicContact CD1-CG 4.08Å; I232-V406 WeakPolarHBondContact O-CA 3.28Å; I232-Y407 HydrophobicContact CB-CD2 4.47Å; I232-Y407 HydrophobicContact CG2-CD2 4.44Å; I232-Y407 PolarHBondContact N-O 3.46Å; I232-Y407 PolarHBondContact O-N 2.88Å; I232-L410 HydrophobicContact CB-CD2 4.45Å; I232-L410 HydrophobicContact CG1-CB 3.98Å; I232-L410 HydrophobicContact CG1-CD2 3.96Å; I232-L410 HydrophobicContact CG2-CD2 4.16Å
233L94.2Very high92.1Very high0 Ų032.2 Ų32.20%016%0.159CC..EExtended strand (participates in β ladder)trans-85.7125175.217966.2000109.6L235 M374 I375 T377 V385 V403 V406L233-L235 HydrophobicContact CD1-CD2 4.23Å; L233-L235 HydrophobicContact CD2-CD1 4.48Å; L233-L235 HydrophobicContact CD2-CD2 4.03Å; L233-L235 HydrophobicContact CD2-CG 4.28Å; L233-L235 HydrophobicContact CG-CD2 3.96Å; L233-L235 HydrophobicContact CG-CG 4.2Å; L233-M374 WeakPolarHBondContact O-CA 3.17Å; L233-I375 HydrophobicContact CB-CB 4.36Å; L233-I375 PolarHBondContact N-O 2.91Å; L233-I375 PolarHBondContact O-N 2.77Å; L233-T377 HydrophobicContact CB-CG2 3.79Å; L233-V385 HydrophobicContact CB-CG1 4.1Å; L233-V385 HydrophobicContact CD1-CG1 3.99Å; L233-V403 HydrophobicContact CD1-CG1 3.79Å; L233-V403 HydrophobicContact CD1-CG2 4.3Å; L233-V406 HydrophobicContact CD1-CG2 4.16Å
234L93.9Very high92.1Very high8 Ų831.5 Ų31.54%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-102117.8174.2-179.767.4000109.6M374 D404 G405 Y407L234-M374 HydrophobicContact CD1-CE 4.11Å; L234-M374 HydrophobicContact CD1-CG 3.72Å; L234-D404 HydrophobicContact CD2-CB 4.05Å; L234-D404 VanDerWaalsContact CD2-OD2 3.31Å; L234-D404 WeakPolarHBondContact CD2-OD2 2.94Å; L234-D404 HydrophobicContact CG-CB 4.1Å; L234-D404 PolarHBondContact O-N 2.81Å; L234-G405 WeakPolarHBondContact CB-O 3.43Å; L234-G405 PolarHBondContact N-O 3.32Å; L234-G405 PolarHBondContact O-N 2.92Å; L234-Y407 HydrophobicContact CB-CE2 4.41Å; L234-Y407 HydrophobicContact CD2-CE2 4.19Å
235L91.5Very high92.1Very high1 Ų127.7 Ų27.71%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-109.1135173.8-59.5-176000109.5L233 S372 L373 I375 V392 L401 E402 V403L233-L235 HydrophobicContact CD1-CD2 4.23Å; L233-L235 HydrophobicContact CD2-CD1 4.48Å; L233-L235 HydrophobicContact CD2-CD2 4.03Å; L233-L235 HydrophobicContact CD2-CG 4.28Å; L233-L235 HydrophobicContact CG-CD2 3.96Å; L233-L235 HydrophobicContact CG-CG 4.2Å; L235-S372 CarbonylContact O-C 3.53Å; L235-S372 VanDerWaalsContact O-CA 3.24Å; L235-S372 WeakPolarHBondContact O-CA 3.45Å; L235-L373 PolarHBondContact N-O 2.72Å; L235-L373 PolarHBondContact O-N 3.43Å; L235-I375 HydrophobicContact CD1-CD1 3.53Å; L235-I375 HydrophobicContact CG-CD1 4.1Å; L235-V392 HydrophobicContact CD1-CB 4.02Å; L235-V392 HydrophobicContact CD1-CG1 3.89Å; L235-V392 HydrophobicContact CD1-CG2 4.21Å; L235-L401 HydrophobicContact CB-CD1 3.91Å; L235-L401 HydrophobicContact CB-CD2 4.01Å; L235-L401 HydrophobicContact CB-CG 3.9Å; L235-L401 HydrophobicContact CD1-CD2 3.65Å; L235-L401 HydrophobicContact CD1-CG 4.3Å; L235-L401 HydrophobicContact CG-CD2 4.4Å; L235-E402 WeakPolarHBondContact CA-O 3.4Å; L235-V403 HydrophobicContact CD2-CB 4.35Å; L235-V403 HydrophobicContact CD2-CG2 3.76Å
236D90.6Very high92.1Very high35 Ų3524.6 Ų24.619%0.18713%0.125CC..EExtended strand (participates in β ladder)trans-133.4142.6179.3-169.760.6000111.7D371 E402 D404D236-D371 WeakPolarHBondContact CA-O 3.2Å; D236-D371 VanDerWaalsContact OD1-C 3.3Å; D236-E402 PolarHBondContact N-O 3.47Å; D236-E402 PolarHBondContact O-N 3.46Å; D236-D404 HydrophobicContact CB-CB 3.85Å
237F88.1Confident92Very high3 Ų325.2 Ų25.21%0.01312%0.124CC..EExtended strand (participates in β ladder)trans-81.5122.8175.1-76.4-74.9000111.3S239 L240 I350 T354 D371 Y396 L399 L401F237-S239 PolarHBondContact O-N 3.28Å; F237-L240 HydrophobicContact CB-CB 4Å; F237-L240 HydrophobicContact CB-CD1 3.87Å; F237-L240 HydrophobicContact CB-CG 4.49Å; F237-L240 HydrophobicContact CD1-CD1 4.42Å; F237-L240 HydrophobicContact CD2-CD1 3.96Å; F237-L240 HydrophobicContact CG-CD1 3.84Å; F237-I350 HydrophobicContact CE1-CG2 4.11Å; F237-I350 HydrophobicContact CE2-CG2 3.79Å; F237-I350 HydrophobicContact CZ-CG2 3.48Å; F237-I350 VanDerWaalsContact CZ-CG2 3.48Å; F237-T354 HydrophobicContact CZ-CG2 4.31Å; F237-T354 WeakPolarHBondContact CZ-OG1 3.45Å; F237-D371 HydrophobicContact CB-CB 4.15Å; F237-D371 VanDerWaalsContact CD2-O 3.25Å; F237-D371 WeakPolarHBondContact CD2-O 3.26Å; F237-D371 PolarHBondContact N-O 2.66Å; F237-Y396 HydrophobicContact CE1-CD2 4.38Å; F237-Y396 HydrophobicContact CE1-CE2 4.37Å; F237-Y396 HydrophobicContact CZ-CE2 4.36Å; F237-L399 HydrophobicContact CD1-CB 4.27Å; F237-L399 HydrophobicContact CD1-CD2 4.09Å; F237-L399 HydrophobicContact CE1-CB 4.2Å; F237-L399 HydrophobicContact CE1-CD2 4.32Å; F237-L401 HydrophobicContact CD1-CB 4.28Å; F237-L401 HydrophobicContact CD1-CD1 3.98Å; F237-L401 HydrophobicContact CD2-CD1 3.94Å; F237-L401 HydrophobicContact CE1-CB 4.04Å; F237-L401 HydrophobicContact CE1-CD1 3.95Å; F237-L401 HydrophobicContact CE2-CD1 3.89Å; F237-L401 HydrophobicContact CG-CD1 3.98Å; F237-L401 HydrophobicContact CZ-CD1 3.9Å
238N83Confident92Very high59 Ų5924.5 Ų24.532%0.31612%0.121SC..THydrogen-bonded Turntrans-63.3104.6175.6-98.2-25.5000112.3S243 E400 E402N238-S243 PolarHBondContact O-OG 3.36Å; N238-S243 VanDerWaalsContact O-OG 3.1Å; N238-E400 PolarHBondContact N-O 3.44Å; N238-E402 PolarHBondContact ND2-OE1 3.47Å; N238-E402 PolarHBondContact ND2-OE2 3.25Å
239S84.6Confident92Very high27 Ų2724 Ų2419%0.18912%0.119CC..THydrogen-bonded Turntrans5455.2177.9-47.50000112.2F237 Y241 P242 S243F237-S239 PolarHBondContact O-N 3.28Å; S239-Y241 PolarHBondContact O-N 2.81Å; S239-P242 WeakPolarHBondContact O-CD 3.49Å; S239-S243 PolarHBondContact O-N 3.44Å; S239-S243 PolarHBondContact O-OG 3.24Å; S239-S243 VanDerWaalsContact O-OG 3.12Å
240L91.3Very high92.2Very high4 Ų419.3 Ų19.32%0.0219%0.094CC..Hα-helixtrans-40.7-57.7-173.3-179.767.5000113.9F237 S243 I244 T370 D371 L399F237-L240 HydrophobicContact CB-CB 4Å; F237-L240 HydrophobicContact CB-CD1 3.87Å; F237-L240 HydrophobicContact CB-CG 4.49Å; F237-L240 HydrophobicContact CD1-CD1 4.42Å; F237-L240 HydrophobicContact CD2-CD1 3.96Å; F237-L240 HydrophobicContact CG-CD1 3.84Å; L240-S243 PolarHBondContact O-N 3.49Å; L240-I244 HydrophobicContact CD1-CD1 3.83Å; L240-I244 HydrophobicContact CD1-CG1 4.24Å; L240-I244 HydrophobicContact CD2-CD1 4.43Å; L240-I244 HydrophobicContact CG-CD1 3.8Å; L240-I244 HydrophobicContact CG-CG1 4.47Å; L240-I244 VanDerWaalsContact O-CG1 3.31Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 2.84Å; L240-T370 HydrophobicContact CD2-CG2 4.49Å; L240-T370 WeakPolarHBondContact CD2-O 3.49Å; L240-D371 HydrophobicContact CB-CB 3.81Å; L240-D371 HydrophobicContact CD2-CB 3.8Å; L240-D371 HydrophobicContact CG-CB 4.34Å; L240-L399 HydrophobicContact CD1-CD2 3.68Å
241Y94.1Very high92.3Very high32 Ų3215.8 Ų15.813%0.1258%0.079CC..Hα-helixtrans-67.5-46.5-174.9-66.3-13.6000114S239 S243 I244 I245 Y324 V343 T344S239-Y241 PolarHBondContact O-N 2.81Å; Y241-S243 PolarHBondContact O-N 3.25Å; Y241-I244 HydrophobicContact CD1-CD1 4.21Å; Y241-I244 PolarHBondContact O-N 3.2Å; Y241-I245 WeakPolarHBondContact O-CG1 3.33Å; Y241-I245 PolarHBondContact O-N 3.42Å; Y241-Y324 AromaticContact CD2-CD1 3.37Å; Y241-Y324 HydrophobicContact CD2-CD1 3.37Å; Y241-Y324 AromaticContact CD2-CD2 3.74Å; Y241-Y324 HydrophobicContact CD2-CD2 3.74Å; Y241-Y324 AromaticContact CD2-CE1 3.55Å; Y241-Y324 HydrophobicContact CD2-CE1 3.55Å; Y241-Y324 AromaticContact CD2-CE2 3.9Å; Y241-Y324 HydrophobicContact CD2-CE2 3.9Å; Y241-Y324 AromaticContact CD2-CG 3.46Å; Y241-Y324 HydrophobicContact CD2-CG 3.46Å; Y241-Y324 VanDerWaalsContact CD2-CG 3.46Å; Y241-Y324 AromaticContact CD2-CZ 3.8Å; Y241-Y324 AromaticContact CE2-CD1 3.82Å; Y241-Y324 HydrophobicContact CE2-CD1 3.82Å; Y241-Y324 HydrophobicContact CE2-CD2 4.28Å; Y241-Y324 AromaticContact CE2-CE1 3.46Å; Y241-Y324 HydrophobicContact CE2-CE1 3.46Å; Y241-Y324 VanDerWaalsContact CE2-CE1 3.46Å; Y241-Y324 AromaticContact CE2-CE2 3.94Å; Y241-Y324 HydrophobicContact CE2-CE2 3.94Å; Y241-Y324 HydrophobicContact CE2-CG 4.21Å; Y241-Y324 AromaticContact CE2-CZ 3.51Å; Y241-Y324 HydrophobicContact CG-CD1 4.46Å; Y241-Y324 HydrophobicContact CG-CD2 4.27Å; Y241-Y324 HydrophobicContact CG-CG 4.18Å; Y241-V343 HydrophobicContact CD1-CG1 3.77Å; Y241-V343 HydrophobicContact CD2-CG1 4.47Å; Y241-V343 HydrophobicContact CE1-CG1 4.47Å; Y241-V343 HydrophobicContact CG-CG1 3.77Å; Y241-T344 HydrophobicContact CE2-CG2 4.42Å
242P92.3Very high92.2Very high6 Ų617 Ų174%0.0399%0.085CC..Hα-helixtrans-51.5-39.5167.1-31.936.2000114.3S239 Q246 I283S239-P242 WeakPolarHBondContact O-CD 3.49Å; P242-Q246 WeakPolarHBondContact O-CG 3.46Å; P242-Q246 PolarHBondContact O-N 3.01Å; P242-Q246 PolarHBondContact O-NE2 2.6Å; P242-I283 HydrophobicContact CB-CG2 3.75Å
243S91.6Very high92.1Very high13 Ų1319.6 Ų19.69%0.09110%0.101CC..Hα-helixtrans-71.5-41.8179.4-59.10000112N238 S239 L240 Y241 I245 Q246 E247N238-S243 PolarHBondContact O-OG 3.36Å; N238-S243 VanDerWaalsContact O-OG 3.1Å; S239-S243 PolarHBondContact O-N 3.44Å; S239-S243 PolarHBondContact O-OG 3.24Å; S239-S243 VanDerWaalsContact O-OG 3.12Å; L240-S243 PolarHBondContact O-N 3.49Å; Y241-S243 PolarHBondContact O-N 3.25Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.25Å; S243-Q246 PolarHBondContact O-N 2.89Å; S243-Q246 VanDerWaalsContact O-N 3.16Å; S243-E247 WeakPolarHBondContact O-CB 3.4Å; S243-E247 PolarHBondContact O-N 3.03Å
244I93.7Very high92.1Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-59.3-42.6173.9-73.2174.1000111.6L240 Y241 Q246 E247 Y248 I250 V343 K346 G347 I350 L399L240-I244 HydrophobicContact CD1-CD1 3.83Å; L240-I244 HydrophobicContact CD1-CG1 4.24Å; L240-I244 HydrophobicContact CD2-CD1 4.43Å; L240-I244 HydrophobicContact CG-CD1 3.8Å; L240-I244 HydrophobicContact CG-CG1 4.47Å; L240-I244 VanDerWaalsContact O-CG1 3.31Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 2.84Å; Y241-I244 HydrophobicContact CD1-CD1 4.21Å; Y241-I244 PolarHBondContact O-N 3.2Å; I244-Q246 VanDerWaalsContact C-N 3.25Å; I244-Q246 PolarHBondContact O-N 2.84Å; I244-E247 PolarHBondContact O-N 3.1Å; I244-Y248 HydrophobicContact CG2-CD2 3.93Å; I244-Y248 HydrophobicContact CG2-CE2 4.42Å; I244-Y248 WeakPolarHBondContact O-CD2 3.39Å; I244-Y248 PolarHBondContact O-N 3.12Å; I244-Y248 VanDerWaalsContact O-N 3.08Å; I244-I250 HydrophobicContact CG2-CD1 3.96Å; I244-V343 HydrophobicContact CG2-CB 4.47Å; I244-V343 HydrophobicContact CG2-CG1 4.13Å; I244-K346 HydrophobicContact CD1-CB 4.45Å; I244-K346 HydrophobicContact CG2-CB 3.91Å; I244-G347 VanDerWaalsContact CD1-CA 3.47Å; I244-I350 HydrophobicContact CD1-CD1 3.86Å; I244-I350 HydrophobicContact CG1-CD1 3.75Å; I244-L399 HydrophobicContact CG1-CD2 4.22Å
245I94.9Very high92Very high1 Ų120 Ų201%0.00510%0.103CC..Hα-helixtrans-59.7-40.8178.3-70.5166.2000110.7Y241 S243 N249 I250 L279 P280 I283 L327 V343Y241-I245 WeakPolarHBondContact O-CG1 3.33Å; Y241-I245 PolarHBondContact O-N 3.42Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.25Å; I245-N249 WeakPolarHBondContact O-CA 3.36Å; I245-N249 PolarHBondContact O-N 2.91Å; I245-I250 WeakPolarHBondContact CG2-O 3.24Å; I245-I250 PolarHBondContact O-N 3.4Å; I245-L279 HydrophobicContact CD1-CD2 4.5Å; I245-L279 HydrophobicContact CG2-CD2 4.05Å; I245-L279 HydrophobicContact CG2-CG 4.05Å; I245-P280 HydrophobicContact CG2-CG 4Å; I245-P280 WeakPolarHBondContact O-CG 3.34Å; I245-I283 HydrophobicContact CB-CD1 3.85Å; I245-I283 HydrophobicContact CD1-CD1 3.62Å; I245-I283 HydrophobicContact CG1-CD1 4.34Å; I245-I283 HydrophobicContact CG2-CD1 3.57Å; I245-L327 HydrophobicContact CD1-CD1 4.49Å; I245-V343 HydrophobicContact CD1-CG2 4.3Å; I245-V343 HydrophobicContact CG1-CG2 3.68Å
246Q92.9Very high91.7Very high37 Ų3725.9 Ų25.917%0.17313%0.131CC..Hα-helixtrans-72.1-49177.5-69.4170.790.200112.5P242 S243 I244 Y248 N249 I283 K284 L398P242-Q246 WeakPolarHBondContact O-CG 3.46Å; P242-Q246 PolarHBondContact O-N 3.01Å; P242-Q246 PolarHBondContact O-NE2 2.6Å; S243-Q246 PolarHBondContact O-N 2.89Å; S243-Q246 VanDerWaalsContact O-N 3.16Å; I244-Q246 VanDerWaalsContact C-N 3.25Å; I244-Q246 PolarHBondContact O-N 2.84Å; Q246-Y248 VanDerWaalsContact C-N 3.35Å; Q246-Y248 PolarHBondContact O-N 3.32Å; Q246-N249 PolarHBondContact O-N 2.92Å; Q246-I283 HydrophobicContact CG-CB 4.31Å; Q246-I283 HydrophobicContact CG-CG2 4.05Å; Q246-K284 VanDerWaalsContact OE1-CA 3.32Å; Q246-L398 HydrophobicContact CB-CD1 4.31Å
247E90.9Very high90.8Very high25 Ų2527.3 Ų27.312%0.11714%0.141CC..Hα-helixtrans-60.4-43.4-175.3-171.168.4-108.500112S243 I244 R397 L398 L399S243-E247 WeakPolarHBondContact O-CB 3.4Å; S243-E247 PolarHBondContact O-N 3.03Å; I244-E247 PolarHBondContact O-N 3.1Å; E247-R397 IonicContact OE1-CZ 2.95Å; E247-R397 IonicContact OE1-NE 3.96Å; E247-R397 PolarHBondContact OE1-NE 3.29Å; E247-R397 VanDerWaalsContact OE1-NE 3.09Å; E247-R397 IonicContact OE1-NH2 2.94Å; E247-R397 PolarHBondContact OE1-NH2 2.96Å; E247-L398 VanDerWaalsContact OE2-CB 3.24Å; E247-L398 WeakPolarHBondContact OE2-CB 3.43Å; E247-L398 PolarHBondContact OE2-N 3.26Å; E247-L399 HydrophobicContact CB-CD1 4.16Å; E247-L399 HydrophobicContact CG-CD1 3.94Å
248Y93.6Very high90Very high39 Ų3935.6 Ų35.615%0.15318%0.177CC..THydrogen-bonded Turntrans-99.212.9-177.8-63.2-74000113.7I244 Q246 I250 V269 P270 K346 I350I244-Y248 HydrophobicContact CG2-CD2 3.93Å; I244-Y248 HydrophobicContact CG2-CE2 4.42Å; I244-Y248 WeakPolarHBondContact O-CD2 3.39Å; I244-Y248 PolarHBondContact O-N 3.12Å; I244-Y248 VanDerWaalsContact O-N 3.08Å; Q246-Y248 VanDerWaalsContact C-N 3.35Å; Q246-Y248 PolarHBondContact O-N 3.32Å; Y248-I250 PolarHBondContact O-N 2.98Å; Y248-I250 VanDerWaalsContact O-N 3.14Å; Y248-V269 HydrophobicContact CD1-CG1 3.82Å; Y248-V269 HydrophobicContact CD1-CG2 4.21Å; Y248-V269 HydrophobicContact CG-CG1 4.38Å; Y248-P270 WeakPolarHBondContact O-CD 3.44Å; Y248-P270 VanDerWaalsContact O-CG 3.29Å; Y248-P270 WeakPolarHBondContact O-CG 3.48Å; Y248-K346 HydrophobicContact CD2-CB 4.31Å; Y248-K346 HydrophobicContact CD2-CG 4.12Å; Y248-K346 HydrophobicContact CE1-CD 4.46Å; Y248-K346 HydrophobicContact CE2-CB 4.03Å; Y248-K346 HydrophobicContact CE2-CD 4.32Å; Y248-K346 HydrophobicContact CE2-CG 4.02Å; Y248-I350 HydrophobicContact CE2-CD1 4.15Å
249N94.8Very high89.1Confident11 Ų1137.1 Ų37.16%0.05919%0.19CC..THydrogen-bonded Turntrans4842.6179.8-166.318.9000113.3I245 Q246 C251 T254 P270 K274 P275 T276 G277I245-N249 WeakPolarHBondContact O-CA 3.36Å; I245-N249 PolarHBondContact O-N 2.91Å; Q246-N249 PolarHBondContact O-N 2.92Å; N249-C251 PolarHBondContact O-N 2.69Å; N249-T254 WeakPolarHBondContact O-CB 3.37Å; N249-T254 PolarHBondContact O-OG1 3.46Å; N249-P270 HydrophobicContact CB-CG 4.44Å; N249-P270 WeakPolarHBondContact O-CG 3.34Å; N249-K274 PolarHBondContact ND2-O 3.22Å; N249-P275 PolarHBondContact ND2-O 3.42Å; N249-T276 WeakPolarHBondContact OD1-CA 3.41Å; N249-G277 PolarHBondContact OD1-N 2.92Å
250I95.5Very high87.9Confident0 Ų044 Ų440%022%0.217CC..  trans-77.9113.9-174.1-61.1171.4000109.5I244 I245 Y248 V255 P280 L339 L342 V343I244-I250 HydrophobicContact CG2-CD1 3.96Å; I245-I250 WeakPolarHBondContact CG2-O 3.24Å; I245-I250 PolarHBondContact O-N 3.4Å; Y248-I250 PolarHBondContact O-N 2.98Å; Y248-I250 VanDerWaalsContact O-N 3.14Å; I250-V255 HydrophobicContact CG2-CG2 4.27Å; I250-P280 WeakPolarHBondContact O-CD 3.48Å; I250-L339 HydrophobicContact CG2-CB 4.32Å; I250-L339 HydrophobicContact CG2-CD2 4.04Å; I250-L342 HydrophobicContact CD1-CD2 4.1Å; I250-L342 HydrophobicContact CD1-CG 3.96Å; I250-L342 HydrophobicContact CG1-CD2 4.08Å; I250-L342 HydrophobicContact CG1-CG 4.5Å; I250-L342 HydrophobicContact CG2-CD2 4.39Å; I250-V343 HydrophobicContact CD1-CG2 3.77Å; I250-V343 HydrophobicContact CG2-CG2 4.19Å
251C95.9Very high86.1Confident0 Ų047 Ų470%024%0.242CC..  trans-150.1160.8-178.3-171.70000111.2N249 T253 T254 V255 V278 L279 P280N249-C251 PolarHBondContact O-N 2.69Å; C251-T253 PolarHBondContact O-N 2.74Å; C251-T253 PolarHBondContact SG-OG1 2.91Å; C251-T254 HydrophobicContact CB-CG2 4.04Å; C251-T254 VanDerWaalsContact CB-OG1 3.32Å; C251-T254 WeakPolarHBondContact CB-OG1 3.2Å; C251-T254 PolarHBondContact N-OG1 3.24Å; C251-T254 PolarHBondContact O-N 2.65Å; C251-T254 PolarHBondContact O-OG1 3.15Å; C251-V255 PolarHBondContact O-N 3.37Å; C251-V278 PolarHBondContact SG-N 2.6Å; C251-L279 HydrophobicContact CB-CB 4.23Å; C251-L279 PolarHBondContact SG-N 2.88Å; C251-P280 HydrophobicContact CB-CG 4.36Å
252F93.7Very high83.9Confident55 Ų5549.6 Ų49.624%0.24128%0.279CS..THydrogen-bonded Turntrans-53-29.1166-54.9-86.9000113.1L187 F191 L279 L327 F334 A336 L339L187-F252 HydrophobicContact CD1-CE2 4.24Å; L187-F252 HydrophobicContact CD1-CZ 4.47Å; F191-F252 HydrophobicContact CE2-CD2 4.16Å; F191-F252 HydrophobicContact CE2-CE2 4.43Å; F191-F252 HydrophobicContact CZ-CB 4.24Å; F191-F252 AromaticContact CZ-CD2 3.72Å; F191-F252 HydrophobicContact CZ-CD2 3.72Å; F191-F252 HydrophobicContact CZ-CE2 4.42Å; F191-F252 HydrophobicContact CZ-CG 4.19Å; F252-L279 HydrophobicContact CD2-CB 4.49Å; F252-L279 HydrophobicContact CE2-CD1 4.46Å; F252-L279 HydrophobicContact CE2-CD2 4.29Å; F252-L327 HydrophobicContact CE1-CD2 4.18Å; F252-L327 HydrophobicContact CE2-CD2 4.01Å; F252-L327 HydrophobicContact CZ-CD2 3.4Å; F252-F334 HydrophobicContact CE1-CB 4.3Å; F252-F334 HydrophobicContact CZ-CB 3.84Å; F252-F334 HydrophobicContact CZ-CD1 4.28Å; F252-A336 HydrophobicContact CD1-CB 4.32Å; F252-A336 HydrophobicContact CE1-CB 3.73Å; F252-L339 HydrophobicContact CD1-CD1 3.9Å; F252-L339 HydrophobicContact CE1-CD1 4.07Å; F252-L339 HydrophobicContact CG-CD1 4.14Å; F252-L339 HydrophobicContact CZ-CD1 4.45Å
253T92.9Very high82.3Confident56 Ų5652.4 Ų52.434%0.34431%0.309SS..THydrogen-bonded Turntrans-96.5-11.2-174.661.40000114.2F191 Y196 C251 G277 V278F191-T253 HydrophobicContact CE1-CG2 4.3Å; Y196-T253 HydrophobicContact CE1-CG2 3.74Å; C251-T253 PolarHBondContact O-N 2.74Å; C251-T253 PolarHBondContact SG-OG1 2.91Å; T253-G277 WeakPolarHBondContact OG1-CA 3.23Å; T253-V278 HydrophobicContact CG2-CG2 4.08Å
254T94Very high81.2Confident7 Ų757.7 Ų57.74%0.04334%0.336CS..THydrogen-bonded Turntrans-112.9-33.7-172.3560000112.3N249 C251 P270 K274N249-T254 WeakPolarHBondContact O-CB 3.37Å; N249-T254 PolarHBondContact O-OG1 3.46Å; C251-T254 HydrophobicContact CB-CG2 4.04Å; C251-T254 VanDerWaalsContact CB-OG1 3.32Å; C251-T254 WeakPolarHBondContact CB-OG1 3.2Å; C251-T254 PolarHBondContact N-OG1 3.24Å; C251-T254 PolarHBondContact O-N 2.65Å; C251-T254 PolarHBondContact O-OG1 3.15Å; T254-P270 WeakPolarHBondContact O-CB 3.37Å; T254-K274 PolarHBondContact O-NZ 3Å
255V92.5Very high80.4Confident8 Ų861.5 Ų61.55%0.04835%0.35CS..SBendtrans-97.1130.5-177.3-177.70000110.4I250 C251 T257 P267 P270 L339 L342I250-V255 HydrophobicContact CG2-CG2 4.27Å; C251-V255 PolarHBondContact O-N 3.37Å; V255-T257 PolarHBondContact O-N 3.05Å; V255-P267 HydrophobicContact CG1-CB 3.54Å; V255-P267 HydrophobicContact CG1-CG 3.67Å; V255-P270 HydrophobicContact CG2-CB 4.44Å; V255-P270 HydrophobicContact CG2-CG 4.02Å; V255-L339 HydrophobicContact CB-CD2 3.63Å; V255-L339 HydrophobicContact CG1-CD2 3.78Å; V255-L339 HydrophobicContact CG2-CD2 3.93Å; V255-L342 HydrophobicContact CG1-CD2 4.36Å; V255-L342 HydrophobicContact CG2-CD2 4.29Å
256E84.1Confident80Confident126 Ų12664.7 Ų64.759%0.58937%0.366SS*.  trans-68.6120.8170.7-70.1-176.9-17500109.9K260 W265E256-K260 IonicContact OE2-NZ 3.93Å; E256-W265 WeakPolarHBondContact O-CH2 3.37Å
257T72Confident79.8Confident64 Ų6463.1 Ų63.139%0.39336%0.36SS..  trans-104.6-4.7-174.850.20000113.7V255 P259 L339V255-T257 PolarHBondContact O-N 3.05Å; T257-P259 WeakPolarHBondContact O-CD 3.26Å; T257-L339 HydrophobicContact CG2-CD2 4.21Å; T257-L339 HydrophobicContact CG2-CG 4.45Å
258K70.9Confident79.7Confident178 Ų17865.8 Ų65.877%0.77439%0.386SS*.SBendtrans-76.3115.7176.9-69.2-176-179.4177.70109.2K260K258-K260 PolarHBondContact O-N 3.22Å
259P64.7Low79.7Confident91 Ų9166.3 Ų66.359%0.59139%0.393SS*.  trans-64.1127.4178.625.4-31.5000109.5T257 A261 W265T257-P259 WeakPolarHBondContact O-CD 3.26Å; P259-A261 VanDerWaalsContact C-N 3.28Å; P259-W265 HydrophobicContact CB-CE3 4.25Å
260K60.4Low79.5Confident172 Ų17266.3 Ų66.375%0.74839%0.393SS*.SBendtrans-78-13.9173.4-67.4-175.5-179.3176.40112.5E256 K258E256-K260 IonicContact OE2-NZ 3.93Å; K258-K260 PolarHBondContact O-N 3.22Å
261A52.1Low79.2Confident66 Ų6670.9 Ų70.955%0.54542%0.418SS..SBendtrans-154.7153.9176.600000111.2P259P259-A261 VanDerWaalsContact C-N 3.28Å
262G48.4Very low78.8Confident87 Ų8775.9 Ų75.990%0.89744%0.444SS*.SBendtrans-71.9130.9175.400000112.2
263G59.8Low78.6Confident65 Ų6577.8 Ų77.867%0.6746%0.464SS*.SBendtrans146.3-174.4-179.700000113.1W265G263-W265 PolarHBondContact O-N 3.27Å
264D67Low78.4Confident123 Ų12379.3 Ų79.366%0.65847%0.466SS*.SBendtrans-73.757170.6-80.7-33.2000111.5K337D264-K337 IonicContact OD1-NZ 2.79Å; D264-K337 PolarHBondContact OD1-NZ 3.37Å
265W78Confident78.3Confident81 Ų8184.4 Ų84.431%0.30750%0.499SS..  trans-69.6132.1177.2175.578.1000111.1E256 P259 G263 P267 P338E256-W265 WeakPolarHBondContact O-CH2 3.37Å; P259-W265 HydrophobicContact CB-CE3 4.25Å; G263-W265 PolarHBondContact O-N 3.27Å; W265-P267 HydrophobicContact CH2-CB 3.56Å; W265-P267 HydrophobicContact CH2-CG 4.5Å; W265-P267 HydrophobicContact CZ2-CB 3.98Å; W265-P267 HydrophobicContact CZ3-CB 3.92Å; W265-P267 HydrophobicContact CZ3-CG 4.39Å; W265-P338 HydrophobicContact CZ3-CB 4.43Å
266I85.7Confident78.3Confident67 Ų6788.8 Ų88.834%0.34453%0.526SS..  trans-110.2125.1174-56.5178.1000107.3A341 L342I266-A341 HydrophobicContact CG1-CB 4.34Å; I266-L342 HydrophobicContact CG2-CB 4.16Å; I266-L342 HydrophobicContact CG2-CD1 4.16Å
267P88.6Confident78.8Confident5 Ų582.9 Ų82.93%0.03250%0.499CS..PPolyproline II helixtrans-66.6154.5178.526.2-32000111.3V255 W265 P338 L342V255-P267 HydrophobicContact CG1-CB 3.54Å; V255-P267 HydrophobicContact CG1-CG 3.67Å; W265-P267 HydrophobicContact CH2-CB 3.56Å; W265-P267 HydrophobicContact CH2-CG 4.5Å; W265-P267 HydrophobicContact CZ2-CB 3.98Å; W265-P267 HydrophobicContact CZ3-CB 3.92Å; W265-P267 HydrophobicContact CZ3-CG 4.39Å; P267-P338 WeakPolarHBondContact CD-O 3.48Å; P267-P338 HydrophobicContact CG-CB 3.97Å; P267-L342 HydrophobicContact CG-CB 4.17Å; P267-L342 HydrophobicContact CG-CD2 4.17Å; P267-L342 WeakPolarHBondContact O-CD1 3.47Å
268A90Very high79.9Confident81 Ų8180.1 Ų80.167%0.66948%0.482SS*.PPolyproline II helixtrans-69.2155.1171.100000111.2
269V92Very high81.1Confident49 Ų4971.6 Ų71.630%0.29745%0.445SS..PPolyproline II helixtrans-59.7136.3168.6173.20000108.7Y248 L342 K346Y248-V269 HydrophobicContact CD1-CG1 3.82Å; Y248-V269 HydrophobicContact CD1-CG2 4.21Å; Y248-V269 HydrophobicContact CG-CG1 4.38Å; V269-L342 HydrophobicContact CG2-CD1 4.21Å; V269-K346 HydrophobicContact CG2-CD 4.41Å; V269-K346 HydrophobicContact CG2-CG 4.47Å
270P91.8Very high82.5Confident11 Ų1167.4 Ų67.47%0.07142%0.418CS..PPolyproline II helixtrans-69.5154.9178.730.9-33.5000110.8Y248 N249 T254 V255 L272Y248-P270 WeakPolarHBondContact O-CD 3.44Å; Y248-P270 VanDerWaalsContact O-CG 3.29Å; Y248-P270 WeakPolarHBondContact O-CG 3.48Å; N249-P270 HydrophobicContact CB-CG 4.44Å; N249-P270 WeakPolarHBondContact O-CG 3.34Å; T254-P270 WeakPolarHBondContact O-CB 3.37Å; V255-P270 HydrophobicContact CG2-CB 4.44Å; V255-P270 HydrophobicContact CG2-CG 4.02Å; P270-L272 PolarHBondContact O-N 3.42Å
271D89.2Confident84.2Confident97 Ų9762.3 Ų62.352%0.51940%0.403SS..PPolyproline II helixtrans-57.6124.7170.7-177.52000110.1S273 K274D271-S273 PolarHBondContact O-N 3.43Å; D271-S273 WeakPolarHBondContact OD1-CB 3.32Å; D271-S273 PolarHBondContact OD1-N 3.45Å; D271-S273 PolarHBondContact OD1-OG 3.12Å; D271-S273 PolarHBondContact OD2-OG 3.34Å; D271-K274 HydrophobicContact CB-CG 4.42Å; D271-K274 WeakPolarHBondContact O-CB 3.07Å; D271-K274 WeakPolarHBondContact O-CG 3.29Å; D271-K274 PolarHBondContact O-N 2.81Å; D271-K274 VanDerWaalsContact O-N 3.11Å
272L87Confident86.2Confident105 Ų10560.3 Ų60.355%0.5538%0.383SS..THydrogen-bonded Turntrans-69.1-12.1-179.2-64.9174.9000112.5P270 K274P270-L272 PolarHBondContact O-N 3.42Å; L272-K274 PolarHBondContact O-N 3.41Å
273S89Confident88.4Confident94 Ų9456.2 Ų56.266%0.65734%0.34SS*.THydrogen-bonded Turntrans-68.3-21.1169.979.20000113.1D271D271-S273 PolarHBondContact O-N 3.43Å; D271-S273 WeakPolarHBondContact OD1-CB 3.32Å; D271-S273 PolarHBondContact OD1-N 3.45Å; D271-S273 PolarHBondContact OD1-OG 3.12Å; D271-S273 PolarHBondContact OD2-OG 3.34Å
274K89.6Confident90Very high89 Ų8958 Ų5839%0.38733%0.33SS..SBendtrans-66.8147.6-180-68.2-175.9-178.4-176.50111.3N249 T254 D271 L272N249-K274 PolarHBondContact ND2-O 3.22Å; T254-K274 PolarHBondContact O-NZ 3Å; D271-K274 HydrophobicContact CB-CG 4.42Å; D271-K274 WeakPolarHBondContact O-CB 3.07Å; D271-K274 WeakPolarHBondContact O-CG 3.29Å; D271-K274 PolarHBondContact O-N 2.81Å; D271-K274 VanDerWaalsContact O-N 3.11Å; L272-K274 PolarHBondContact O-N 3.41Å
275P92Very high91.4Very high114 Ų11457.3 Ų57.374%0.7432%0.318SS*.PPolyproline II helixtrans-51.7147.5170.6-25.934.1000112.4N249 G277N249-P275 PolarHBondContact ND2-O 3.42Å; P275-G277 PolarHBondContact O-N 2.89Å
276T92.8Very high92.2Very high99 Ų9953.6 Ų53.661%0.60730%0.304SS*.PPolyproline II helixtrans-60.8126.8178.1-54.30000110.5N249 P280N249-T276 WeakPolarHBondContact OD1-CA 3.41Å; T276-P280 HydrophobicContact CG2-CB 3.73Å
277G94.5Very high92.5Very high3 Ų352 Ų523%0.03130%0.297CS..PPolyproline II helixtrans-69.7166.3179.800000113.5N249 T253 P275 L279 P280 C281N249-G277 PolarHBondContact OD1-N 2.92Å; T253-G277 WeakPolarHBondContact OG1-CA 3.23Å; P275-G277 PolarHBondContact O-N 2.89Å; G277-L279 VanDerWaalsContact C-N 3.34Å; G277-L279 PolarHBondContact O-N 3.23Å; G277-P280 WeakPolarHBondContact O-CD 3.47Å; G277-C281 WeakPolarHBondContact O-CB 3.43Å; G277-C281 PolarHBondContact O-N 3.23Å; G277-C281 VanDerWaalsContact O-N 3.09Å
278V95.2Very high92.7Very high5 Ų556.3 Ų56.33%0.0332%0.317CS..Hα-helixtrans-54.8-47.7178.7-174.50000112A190 F191 L194 Y196 C251 T253 C281 E282A190-V278 HydrophobicContact CB-CG1 3.85Å; F191-V278 HydrophobicContact CD1-CB 4.49Å; F191-V278 HydrophobicContact CD1-CG1 4.25Å; F191-V278 HydrophobicContact CD1-CG2 4.09Å; F191-V278 HydrophobicContact CE1-CB 3.99Å; F191-V278 HydrophobicContact CE1-CG1 4.13Å; F191-V278 HydrophobicContact CE1-CG2 3.72Å; F191-V278 HydrophobicContact CE2-CG1 4.42Å; F191-V278 HydrophobicContact CG-CG1 4.46Å; F191-V278 HydrophobicContact CZ-CB 4.15Å; F191-V278 HydrophobicContact CZ-CG1 4.21Å; F191-V278 HydrophobicContact CZ-CG2 4.38Å; L194-V278 HydrophobicContact CD1-CB 4.27Å; L194-V278 HydrophobicContact CD1-CG1 3.95Å; L194-V278 HydrophobicContact CD1-CG2 3.61Å; Y196-V278 HydrophobicContact CE2-CG2 4.38Å; C251-V278 PolarHBondContact SG-N 2.6Å; T253-V278 HydrophobicContact CG2-CG2 4.08Å; V278-C281 WeakPolarHBondContact O-CB 3.35Å; V278-C281 PolarHBondContact O-N 2.97Å; V278-E282 PolarHBondContact O-N 2.98Å
279L95Very high93Very high0 Ų054 Ų540%030%0.295CS..Hα-helixtrans-65.6-50.6-175.1-178.473000112.8L187 I245 C251 F252 G277 C281 E282 I283 V323 L327L187-L279 HydrophobicContact CD2-CD1 3.81Å; I245-L279 HydrophobicContact CD1-CD2 4.5Å; I245-L279 HydrophobicContact CG2-CD2 4.05Å; I245-L279 HydrophobicContact CG2-CG 4.05Å; C251-L279 HydrophobicContact CB-CB 4.23Å; C251-L279 PolarHBondContact SG-N 2.88Å; F252-L279 HydrophobicContact CD2-CB 4.49Å; F252-L279 HydrophobicContact CE2-CD1 4.46Å; F252-L279 HydrophobicContact CE2-CD2 4.29Å; G277-L279 VanDerWaalsContact C-N 3.34Å; G277-L279 PolarHBondContact O-N 3.23Å; L279-C281 VanDerWaalsContact C-N 3.29Å; L279-C281 PolarHBondContact O-N 2.79Å; L279-E282 PolarHBondContact O-N 3.3Å; L279-I283 HydrophobicContact CG-CD1 4.43Å; L279-I283 WeakPolarHBondContact O-CG1 3.23Å; L279-I283 PolarHBondContact O-N 2.98Å; L279-I283 VanDerWaalsContact O-N 3.08Å; L279-V323 HydrophobicContact CD1-CG1 3.44Å; L279-V323 VanDerWaalsContact CD1-CG1 3.44Å; L279-V323 HydrophobicContact CG-CG1 4.44Å; L279-L327 HydrophobicContact CD2-CD1 3.99Å; L279-L327 HydrophobicContact CD2-CD2 4.29Å
280P95.2Very high93.1Very high2 Ų253.6 Ų53.61%0.01329%0.289CS..Hα-helixtrans-56.3-38.8170.6-28.835.4000113.9I245 I250 C251 T276 G277 I283 K284I245-P280 HydrophobicContact CG2-CG 4Å; I245-P280 WeakPolarHBondContact O-CG 3.34Å; I250-P280 WeakPolarHBondContact O-CD 3.48Å; C251-P280 HydrophobicContact CB-CG 4.36Å; T276-P280 HydrophobicContact CG2-CB 3.73Å; G277-P280 WeakPolarHBondContact O-CD 3.47Å; P280-I283 PolarHBondContact O-N 2.82Å; P280-K284 VanDerWaalsContact O-CB 3.27Å; P280-K284 WeakPolarHBondContact O-CB 3.45Å; P280-K284 PolarHBondContact O-N 3.13Å
281C94.9Very high93.1Very high65 Ų6558.9 Ų58.944%0.43931%0.307SS..Hα-helixtrans-62.5-47178.4-168.80000111.8G277 V278 L279 I283 K284 R285G277-C281 WeakPolarHBondContact O-CB 3.43Å; G277-C281 PolarHBondContact O-N 3.23Å; G277-C281 VanDerWaalsContact O-N 3.09Å; V278-C281 WeakPolarHBondContact O-CB 3.35Å; V278-C281 PolarHBondContact O-N 2.97Å; L279-C281 VanDerWaalsContact C-N 3.29Å; L279-C281 PolarHBondContact O-N 2.79Å; C281-I283 PolarHBondContact O-N 3.4Å; C281-K284 WeakPolarHBondContact O-CB 3.1Å; C281-K284 PolarHBondContact O-N 3.31Å; C281-R285 PolarHBondContact O-N 3.44Å
282E95.2Very high93.4Very high25 Ų2559.9 Ų59.912%0.11731%0.309CS..Hα-helixtrans-64.1-41.7177.5-73.4-53.5129.800112.5A190 V278 L279 R285 L286A190-E282 HydrophobicContact CB-CG 3.5Å; A190-E282 VanDerWaalsContact CB-CG 3.5Å; V278-E282 PolarHBondContact O-N 2.98Å; L279-E282 PolarHBondContact O-N 3.3Å; E282-R285 WeakPolarHBondContact O-CB 3.39Å; E282-R285 PolarHBondContact O-N 2.99Å; E282-R285 IonicContact OE1-NE 2.8Å; E282-R285 IonicContact OE2-CZ 3.85Å; E282-R285 VanDerWaalsContact OE2-CZ 3.27Å; E282-R285 IonicContact OE2-NE 3.94Å; E282-R285 PolarHBondContact OE2-NE 3.29Å; E282-R285 IonicContact OE2-NH2 3.78Å; E282-R285 PolarHBondContact OE2-NH2 2.92Å; E282-L286 WeakPolarHBondContact O-CG 3.05Å; E282-L286 PolarHBondContact O-N 2.7Å
283I94.8Very high93.8Very high1 Ų155.1 Ų55.11%0.00528%0.284CS..Hα-helixtrans-64.3-43.7176-65.4177.7000110.5P242 I245 Q246 L279 P280 C281 R285 L286 V287 V323P242-I283 HydrophobicContact CB-CG2 3.75Å; I245-I283 HydrophobicContact CB-CD1 3.85Å; I245-I283 HydrophobicContact CD1-CD1 3.62Å; I245-I283 HydrophobicContact CG1-CD1 4.34Å; I245-I283 HydrophobicContact CG2-CD1 3.57Å; Q246-I283 HydrophobicContact CG-CB 4.31Å; Q246-I283 HydrophobicContact CG-CG2 4.05Å; L279-I283 HydrophobicContact CG-CD1 4.43Å; L279-I283 WeakPolarHBondContact O-CG1 3.23Å; L279-I283 PolarHBondContact O-N 2.98Å; L279-I283 VanDerWaalsContact O-N 3.08Å; P280-I283 PolarHBondContact O-N 2.82Å; C281-I283 PolarHBondContact O-N 3.4Å; I283-R285 VanDerWaalsContact C-N 3.3Å; I283-R285 PolarHBondContact O-N 2.72Å; I283-L286 PolarHBondContact O-N 3.15Å; I283-L286 VanDerWaalsContact O-N 3.16Å; I283-V287 HydrophobicContact CG2-CG2 4.19Å; I283-V287 WeakPolarHBondContact O-CG2 3.3Å; I283-V287 PolarHBondContact O-N 3.13Å; I283-V323 HydrophobicContact CD1-CB 4.43Å; I283-V323 HydrophobicContact CD1-CG1 4Å; I283-V323 HydrophobicContact CG1-CG1 4.28Å; I283-V323 HydrophobicContact CG1-CG2 4.5Å
284K93.9Very high93.9Very high103 Ų10355.2 Ų55.245%0.44827%0.272SS..Hα-helixtrans-57-45176-177.8178.9178.6-179.30111.1Q246 P280 C281 L286 V287 Q288Q246-K284 VanDerWaalsContact OE1-CA 3.32Å; P280-K284 VanDerWaalsContact O-CB 3.27Å; P280-K284 WeakPolarHBondContact O-CB 3.45Å; P280-K284 PolarHBondContact O-N 3.13Å; C281-K284 WeakPolarHBondContact O-CB 3.1Å; C281-K284 PolarHBondContact O-N 3.31Å; K284-L286 PolarHBondContact O-N 3.36Å; K284-V287 PolarHBondContact O-N 3.22Å; K284-Q288 VanDerWaalsContact CE-NE2 3.32Å; K284-Q288 HydrophobicContact CG-CG 4.28Å; K284-Q288 VanDerWaalsContact O-CB 3.32Å; K284-Q288 WeakPolarHBondContact O-CB 3.17Å; K284-Q288 VanDerWaalsContact O-CG 3.27Å; K284-Q288 WeakPolarHBondContact O-CG 3.26Å; K284-Q288 PolarHBondContact O-N 3.06Å
285R94.9Very high94.1Very high108 Ų10857.3 Ų57.341%0.40828%0.284SS..Hα-helixtrans-57.8-45.8175.5-174.9178.669.395.9-1.3112.2C281 E282 I283 S289C281-R285 PolarHBondContact O-N 3.44Å; E282-R285 WeakPolarHBondContact O-CB 3.39Å; E282-R285 PolarHBondContact O-N 2.99Å; E282-R285 IonicContact OE1-NE 2.8Å; E282-R285 IonicContact OE2-CZ 3.85Å; E282-R285 VanDerWaalsContact OE2-CZ 3.27Å; E282-R285 IonicContact OE2-NE 3.94Å; E282-R285 PolarHBondContact OE2-NE 3.29Å; E282-R285 IonicContact OE2-NH2 3.78Å; E282-R285 PolarHBondContact OE2-NH2 2.92Å; I283-R285 VanDerWaalsContact C-N 3.3Å; I283-R285 PolarHBondContact O-N 2.72Å; R285-S289 VanDerWaalsContact O-CB 3.32Å; R285-S289 WeakPolarHBondContact O-CB 3.27Å; R285-S289 PolarHBondContact O-N 3.12Å; R285-S289 PolarHBondContact O-OG 3.19Å
286L95.5Very high94.2Very high2 Ų255.4 Ų55.41%0.0127%0.267CS..Hα-helixtrans-64.2-45.1178-67.7173.8000112.1V166 L186 E282 I283 K284 R290 L316 T319 A320V166-L286 HydrophobicContact CG1-CD2 3.41Å; V166-L286 VanDerWaalsContact CG1-CD2 3.41Å; L186-L286 HydrophobicContact CD2-CD1 4.02Å; E282-L286 WeakPolarHBondContact O-CG 3.05Å; E282-L286 PolarHBondContact O-N 2.7Å; I283-L286 PolarHBondContact O-N 3.15Å; I283-L286 VanDerWaalsContact O-N 3.16Å; K284-L286 PolarHBondContact O-N 3.36Å; L286-R290 WeakPolarHBondContact O-CB 3.37Å; L286-R290 PolarHBondContact O-N 3.09Å; L286-L316 HydrophobicContact CD2-CD2 3.89Å; L286-T319 HydrophobicContact CD1-CG2 3.98Å; L286-T319 HydrophobicContact CD2-CG2 4.38Å; L286-A320 HydrophobicContact CB-CB 4.34Å; L286-A320 HydrophobicContact CD1-CB 4.23Å
287V92.2Very high94.1Very high34 Ų3451.7 Ų51.721%0.20624%0.243CC..Hα-helixtrans-67-44.3-179.8173.50000111.1I283 K284 R290 R291I283-V287 HydrophobicContact CG2-CG2 4.19Å; I283-V287 WeakPolarHBondContact O-CG2 3.3Å; I283-V287 PolarHBondContact O-N 3.13Å; K284-V287 PolarHBondContact O-N 3.22Å; V287-R290 WeakPolarHBondContact O-CB 3.38Å; V287-R290 PolarHBondContact O-N 3.28Å; V287-R291 WeakPolarHBondContact O-CG 3.41Å; V287-R291 PolarHBondContact O-N 3.48Å
288Q93.1Very high93.8Very high96 Ų9658.4 Ų58.445%0.44928%0.278SS..Hα-helixtrans-62.8-44.8176.4-74.1179.7-28.800111.7K284 R290 R291 Q292K284-Q288 VanDerWaalsContact CE-NE2 3.32Å; K284-Q288 HydrophobicContact CG-CG 4.28Å; K284-Q288 VanDerWaalsContact O-CB 3.32Å; K284-Q288 WeakPolarHBondContact O-CB 3.17Å; K284-Q288 VanDerWaalsContact O-CG 3.27Å; K284-Q288 WeakPolarHBondContact O-CG 3.26Å; K284-Q288 PolarHBondContact O-N 3.06Å; Q288-R290 PolarHBondContact O-N 3.11Å; Q288-R291 PolarHBondContact O-N 2.9Å; Q288-Q292 WeakPolarHBondContact O-CG 3.43Å; Q288-Q292 PolarHBondContact O-N 3.27Å
289S95.3Very high93.4Very high31 Ų3161 Ų6122%0.21730%0.297CS..Hα-helixtrans-58.7-39.4174.7-60.20000111.2R285 Q292 V293R285-S289 VanDerWaalsContact O-CB 3.32Å; R285-S289 WeakPolarHBondContact O-CB 3.27Å; R285-S289 PolarHBondContact O-N 3.12Å; R285-S289 PolarHBondContact O-OG 3.19Å; S289-Q292 PolarHBondContact O-N 3.09Å; S289-V293 VanDerWaalsContact O-CG2 3.3Å; S289-V293 WeakPolarHBondContact O-CG2 3.18Å; S289-V293 PolarHBondContact O-N 3.39Å
290R95Very high92.7Very high41 Ų4167.4 Ų67.416%0.15534%0.341CS..Hα-helixtrans-68.1-40.2178.1-172178.5171.8-141.1-8.2111.8L286 V287 Q288 V293 K294 Q313 L316L286-R290 WeakPolarHBondContact O-CB 3.37Å; L286-R290 PolarHBondContact O-N 3.09Å; V287-R290 WeakPolarHBondContact O-CB 3.38Å; V287-R290 PolarHBondContact O-N 3.28Å; Q288-R290 PolarHBondContact O-N 3.11Å; R290-V293 PolarHBondContact O-N 3.16Å; R290-K294 WeakPolarHBondContact O-CG 3.08Å; R290-K294 PolarHBondContact O-N 2.9Å; R290-Q313 HydrophobicContact CG-CB 4.19Å; R290-L316 HydrophobicContact CB-CB 3.98Å; R290-L316 HydrophobicContact CB-CD1 4.01Å; R290-L316 HydrophobicContact CG-CB 4.27Å
291R91.6Very high92.2Very high122 Ų12269 Ų6946%0.4635%0.352SS..Hα-helixtrans-60.6-45.3174.5-74.7178.6172.7-173-7.7111V287 Q288 K294 Q295 E400V287-R291 WeakPolarHBondContact O-CG 3.41Å; V287-R291 PolarHBondContact O-N 3.48Å; Q288-R291 PolarHBondContact O-N 2.9Å; R291-K294 PolarHBondContact O-N 2.94Å; R291-Q295 WeakPolarHBondContact O-CG 3.33Å; R291-Q295 PolarHBondContact O-N 3.27Å; R291-E400 IonicContact CZ-OE1 3.27Å; R291-E400 IonicContact NH2-OE1 2.74Å; R291-E400 PolarHBondContact NH2-OE1 3.09Å; R291-E400 IonicContact NH2-OE2 3.09Å; R291-E400 PolarHBondContact NH2-OE2 3.18Å
292Q94.6Very high92.1Very high119 Ų11968.4 Ų68.456%0.55635%0.349SS*.Hα-helixtrans-60.5-47175.4-70.3171.8-12.900112.1Q288 S289 K294 Q295 L296Q288-Q292 WeakPolarHBondContact O-CG 3.43Å; Q288-Q292 PolarHBondContact O-N 3.27Å; S289-Q292 PolarHBondContact O-N 3.09Å; Q292-K294 VanDerWaalsContact C-N 3.32Å; Q292-K294 PolarHBondContact O-N 3.43Å; Q292-Q295 WeakPolarHBondContact O-CB 3.43Å; Q292-Q295 PolarHBondContact O-N 2.7Å; Q292-Q295 VanDerWaalsContact O-N 3.15Å; Q292-L296 WeakPolarHBondContact O-CG 3.34Å; Q292-L296 PolarHBondContact O-N 3.41Å
293V94.9Very high91.9Very high4 Ų472.1 Ų72.12%0.02438%0.375CS..Hα-helixtrans-62.2-40.2177.8175.20000111.4S289 R290 Q295 L296 M297 Y309 R312 Q313 L316S289-V293 VanDerWaalsContact O-CG2 3.3Å; S289-V293 WeakPolarHBondContact O-CG2 3.18Å; S289-V293 PolarHBondContact O-N 3.39Å; R290-V293 PolarHBondContact O-N 3.16Å; V293-Q295 PolarHBondContact O-N 2.75Å; V293-L296 WeakPolarHBondContact O-CB 3.32Å; V293-L296 PolarHBondContact O-N 2.85Å; V293-M297 WeakPolarHBondContact O-CG 3.3Å; V293-M297 PolarHBondContact O-N 3.37Å; V293-Y309 HydrophobicContact CG1-CD1 4.31Å; V293-Y309 HydrophobicContact CG1-CG 4.34Å; V293-Y309 VanDerWaalsContact CG1-O 3.25Å; V293-Y309 WeakPolarHBondContact CG1-O 3.43Å; V293-R312 HydrophobicContact CG1-CB 4.32Å; V293-R312 HydrophobicContact CG2-CG 4.13Å; V293-Q313 HydrophobicContact CB-CB 4.48Å; V293-Q313 HydrophobicContact CG1-CB 3.95Å; V293-L316 HydrophobicContact CG2-CD1 4.24Å
294K93Very high91.7Very high96 Ų9678 Ų7842%0.41740%0.402SS..Hα-helixtrans-63.3-38.8173.9-79.3-172.1164.9-162.40112.7R290 R291 Q292 L296 M297 N298R290-K294 WeakPolarHBondContact O-CG 3.08Å; R290-K294 PolarHBondContact O-N 2.9Å; R291-K294 PolarHBondContact O-N 2.94Å; Q292-K294 VanDerWaalsContact C-N 3.32Å; Q292-K294 PolarHBondContact O-N 3.43Å; K294-L296 VanDerWaalsContact C-N 3.31Å; K294-L296 PolarHBondContact O-N 2.94Å; K294-M297 WeakPolarHBondContact O-CB 3.5Å; K294-M297 PolarHBondContact O-N 3.1Å; K294-N298 PolarHBondContact O-N 2.99Å; K294-N298 VanDerWaalsContact O-N 3.13Å
295Q93Very high91.7Very high134 Ų13475.7 Ų75.763%0.62640%0.395SS*.Hα-helixtrans-62-41174.3-72.5168.7-19.900111.3R291 Q292 V293 M297 N298 S299R291-Q295 WeakPolarHBondContact O-CG 3.33Å; R291-Q295 PolarHBondContact O-N 3.27Å; Q292-Q295 WeakPolarHBondContact O-CB 3.43Å; Q292-Q295 PolarHBondContact O-N 2.7Å; Q292-Q295 VanDerWaalsContact O-N 3.15Å; V293-Q295 PolarHBondContact O-N 2.75Å; Q295-M297 VanDerWaalsContact C-N 3.32Å; Q295-M297 PolarHBondContact O-N 2.88Å; Q295-N298 PolarHBondContact O-N 3.06Å; Q295-S299 PolarHBondContact O-N 3.46Å
296L94Very high91.7Very high73 Ų7375.8 Ų75.838%0.38240%0.396SS..Hα-helixtrans-64.4-35.2174.6-64.7172.5000112.3Q292 V293 K294 N298 S299 Y309Q292-L296 WeakPolarHBondContact O-CG 3.34Å; Q292-L296 PolarHBondContact O-N 3.41Å; V293-L296 WeakPolarHBondContact O-CB 3.32Å; V293-L296 PolarHBondContact O-N 2.85Å; K294-L296 VanDerWaalsContact C-N 3.31Å; K294-L296 PolarHBondContact O-N 2.94Å; L296-N298 VanDerWaalsContact C-N 3.3Å; L296-N298 PolarHBondContact O-N 3.14Å; L296-S299 PolarHBondContact O-N 2.98Å; L296-S299 PolarHBondContact O-OG 2.94Å; L296-Y309 HydrophobicContact CB-CD2 4Å; L296-Y309 HydrophobicContact CB-CE2 3.67Å; L296-Y309 HydrophobicContact CD1-CE1 4.09Å
297M91.6Very high91.5Very high21 Ų2178.6 Ų78.610%0.10341%0.409CS..Hα-helixtrans-65.8-32.2174-68.2174.669.100113.2V293 K294 Q295 S299 Y306 Y309 N310 Q313V293-M297 WeakPolarHBondContact O-CG 3.3Å; V293-M297 PolarHBondContact O-N 3.37Å; K294-M297 WeakPolarHBondContact O-CB 3.5Å; K294-M297 PolarHBondContact O-N 3.1Å; Q295-M297 VanDerWaalsContact C-N 3.32Å; Q295-M297 PolarHBondContact O-N 2.88Å; M297-S299 VanDerWaalsContact C-N 3.31Å; M297-Y306 HydrophobicContact CB-CD2 4.2Å; M297-Y306 HydrophobicContact CB-CE2 4.02Å; M297-Y306 HydrophobicContact CE-CD1 4.5Å; M297-Y306 HydrophobicContact CE-CD2 4.24Å; M297-Y306 HydrophobicContact CE-CE1 3.92Å; M297-Y306 HydrophobicContact CE-CE2 3.64Å; M297-Y306 VanDerWaalsContact CE-CZ 3.45Å; M297-Y309 HydrophobicContact CG-CD2 4.26Å; M297-Y309 HydrophobicContact CG-CG 4.26Å; M297-N310 HydrophobicContact CE-CB 3.79Å; M297-Q313 HydrophobicContact SD-CG 3.84Å
298N87.5Confident91.6Very high145 Ų14582.8 Ų82.878%0.77543%0.426SS*.Hα-helixtrans-80.9-13.8178.1-66.5-9.2000112.7K294 Q295 L296K294-N298 PolarHBondContact O-N 2.99Å; K294-N298 VanDerWaalsContact O-N 3.13Å; Q295-N298 PolarHBondContact O-N 3.06Å; L296-N298 VanDerWaalsContact C-N 3.3Å; L296-N298 PolarHBondContact O-N 3.14Å
299S86.4Confident91.7Very high60 Ų6080.5 Ų80.542%0.4241%0.414SS..SBendtrans-76.8160.2170.275.10000110.9Q295 L296 M297 C301Q295-S299 PolarHBondContact O-N 3.46Å; L296-S299 PolarHBondContact O-N 2.98Å; L296-S299 PolarHBondContact O-OG 2.94Å; M297-S299 VanDerWaalsContact C-N 3.31Å; S299-C301 VanDerWaalsContact C-N 3.33Å; S299-C301 PolarHBondContact O-N 3.42Å; S299-C301 PolarHBondContact O-SG 2.9Å
300S80.7Confident91.7Very high134 Ų13480.8 Ų80.894%0.93741%0.413SS*.SBendtrans-63.489174.9390000111
301C84.5Confident91.8Very high34 Ų3479.4 Ų79.423%0.2341%0.408CS..  trans-112.9153.7177.259.60000111.1S299 L305 Y309S299-C301 VanDerWaalsContact C-N 3.33Å; S299-C301 PolarHBondContact O-N 3.42Å; S299-C301 PolarHBondContact O-SG 2.9Å; C301-L305 HydrophobicContact CB-CB 4.32Å; C301-L305 HydrophobicContact CB-CD2 3.99Å; C301-L305 HydrophobicContact CB-CG 4.26Å; C301-Y309 HydrophobicContact CB-CE2 4.47Å
302S91.6Very high92Very high54 Ų5478.8 Ų78.838%0.37841%0.406SS..  trans-66.4155.9175.785.80000110.8E304 L305 Y306S302-E304 VanDerWaalsContact CB-OE2 3.3Å; S302-E304 WeakPolarHBondContact CB-OE2 3.23Å; S302-E304 PolarHBondContact O-N 2.79Å; S302-E304 PolarHBondContact OG-OE2 3.13Å; S302-L305 PolarHBondContact O-N 2.97Å; S302-L305 PolarHBondContact OG-N 2.93Å; S302-Y306 PolarHBondContact O-N 3.4Å
303P92Very high92Very high103 Ų10374.2 Ų74.267%0.66939%0.385SS*.Hα-helixtrans-54.3-37177.4-27.135.8000113.6E307P303-E307 PolarHBondContact O-N 3.32Å; P303-E307 VanDerWaalsContact O-N 3.08Å
304E91.4Very high92Very high124 Ų12477.3 Ų77.358%0.57940%0.399SS*.Hα-helixtrans-67.2-41.7177.6-55.774.1-159.900111.5S302 E307 Q308S302-E304 VanDerWaalsContact CB-OE2 3.3Å; S302-E304 WeakPolarHBondContact CB-OE2 3.23Å; S302-E304 PolarHBondContact O-N 2.79Å; S302-E304 PolarHBondContact OG-OE2 3.13Å; E304-E307 PolarHBondContact O-N 3.31Å; E304-Q308 WeakPolarHBondContact O-CG 3.48Å; E304-Q308 PolarHBondContact O-N 2.85Å; E304-Q308 VanDerWaalsContact O-N 3.09Å
305L93.5Very high92.1Very high55 Ų5572.8 Ų72.829%0.28838%0.379SS..Hα-helixtrans-71.5-38.6179.5-173.559.7000111.3C301 S302 E307 Q308 Y309C301-L305 HydrophobicContact CB-CB 4.32Å; C301-L305 HydrophobicContact CB-CD2 3.99Å; C301-L305 HydrophobicContact CB-CG 4.26Å; S302-L305 PolarHBondContact O-N 2.97Å; S302-L305 PolarHBondContact OG-N 2.93Å; L305-E307 VanDerWaalsContact C-N 3.3Å; L305-E307 PolarHBondContact O-N 3.37Å; L305-Q308 PolarHBondContact O-N 3.44Å; L305-Y309 HydrophobicContact CD1-CD2 4.45Å; L305-Y309 HydrophobicContact CD1-CE1 3.96Å; L305-Y309 HydrophobicContact CD1-CE2 3.88Å; L305-Y309 HydrophobicContact CD2-CE2 3.79Å; L305-Y309 HydrophobicContact CG-CD2 4Å; L305-Y309 HydrophobicContact CG-CE1 4.44Å; L305-Y309 HydrophobicContact CG-CE2 3.44Å; L305-Y309 VanDerWaalsContact CG-CE2 3.44Å; L305-Y309 WeakPolarHBondContact O-CD2 3.47Å; L305-Y309 PolarHBondContact O-N 3.41Å
306Y94.5Very high92.3Very high110 Ų11066.7 Ų66.743%0.43135%0.351SS..Hα-helixtrans-55.9-46.4171.6-177.5-86.9000111M297 S302 Q308 Y309 N310M297-Y306 HydrophobicContact CB-CD2 4.2Å; M297-Y306 HydrophobicContact CB-CE2 4.02Å; M297-Y306 HydrophobicContact CE-CD1 4.5Å; M297-Y306 HydrophobicContact CE-CD2 4.24Å; M297-Y306 HydrophobicContact CE-CE1 3.92Å; M297-Y306 HydrophobicContact CE-CE2 3.64Å; M297-Y306 VanDerWaalsContact CE-CZ 3.45Å; S302-Y306 PolarHBondContact O-N 3.4Å; Y306-Q308 PolarHBondContact O-N 2.98Å; Y306-Y309 PolarHBondContact O-N 3.39Å; Y306-N310 WeakPolarHBondContact O-CB 3.45Å; Y306-N310 PolarHBondContact O-N 3.24Å
307E91.5Very high92.3Very high60 Ų6067.7 Ų67.728%0.2835%0.352SS..Hα-helixtrans-62.3-42.7177.7178.269.716700111.9R155 P303 E304 L305 Y309 N310 I311R155-E307 IonicContact CZ-OE1 2.9Å; R155-E307 IonicContact NE-OE1 2.6Å; R155-E307 PolarHBondContact NE-OE1 3.02Å; R155-E307 IonicContact NH2-OE1 2.69Å; P303-E307 PolarHBondContact O-N 3.32Å; P303-E307 VanDerWaalsContact O-N 3.08Å; E304-E307 PolarHBondContact O-N 3.31Å; L305-E307 VanDerWaalsContact C-N 3.3Å; L305-E307 PolarHBondContact O-N 3.37Å; E307-Y309 PolarHBondContact O-N 2.93Å; E307-N310 WeakPolarHBondContact O-CB 3.32Å; E307-N310 PolarHBondContact O-N 3.41Å; E307-I311 HydrophobicContact CG-CD1 4.24Å; E307-I311 WeakPolarHBondContact O-CG1 3.45Å; E307-I311 PolarHBondContact O-N 2.88Å
308Q93.7Very high92.3Very high123 Ų12368.8 Ų68.858%0.57536%0.358SS*.Hα-helixtrans-61.1-45.6175.1-70.8178.414.400112E304 L305 Y306 N310 I311 R312E304-Q308 WeakPolarHBondContact O-CG 3.48Å; E304-Q308 PolarHBondContact O-N 2.85Å; E304-Q308 VanDerWaalsContact O-N 3.09Å; L305-Q308 PolarHBondContact O-N 3.44Å; Y306-Q308 PolarHBondContact O-N 2.98Å; Q308-N310 VanDerWaalsContact C-N 3.32Å; Q308-N310 PolarHBondContact O-N 2.9Å; Q308-I311 PolarHBondContact O-N 3.5Å; Q308-R312 PolarHBondContact O-N 2.98Å
309Y96.3Very high92.7Very high47 Ų4762.2 Ų62.218%0.18432%0.323CS..Hα-helixtrans-64.9-37.1176.2-67.7-31.7000112.4V293 L296 M297 C301 L305 Y306 E307 R312 Q313V293-Y309 HydrophobicContact CG1-CD1 4.31Å; V293-Y309 HydrophobicContact CG1-CG 4.34Å; V293-Y309 VanDerWaalsContact CG1-O 3.25Å; V293-Y309 WeakPolarHBondContact CG1-O 3.43Å; L296-Y309 HydrophobicContact CB-CD2 4Å; L296-Y309 HydrophobicContact CB-CE2 3.67Å; L296-Y309 HydrophobicContact CD1-CE1 4.09Å; M297-Y309 HydrophobicContact CG-CD2 4.26Å; M297-Y309 HydrophobicContact CG-CG 4.26Å; C301-Y309 HydrophobicContact CB-CE2 4.47Å; L305-Y309 HydrophobicContact CD1-CD2 4.45Å; L305-Y309 HydrophobicContact CD1-CE1 3.96Å; L305-Y309 HydrophobicContact CD1-CE2 3.88Å; L305-Y309 HydrophobicContact CD2-CE2 3.79Å; L305-Y309 HydrophobicContact CG-CD2 4Å; L305-Y309 HydrophobicContact CG-CE1 4.44Å; L305-Y309 HydrophobicContact CG-CE2 3.44Å; L305-Y309 VanDerWaalsContact CG-CE2 3.44Å; L305-Y309 WeakPolarHBondContact O-CD2 3.47Å; L305-Y309 PolarHBondContact O-N 3.41Å; Y306-Y309 PolarHBondContact O-N 3.39Å; E307-Y309 PolarHBondContact O-N 2.93Å; Y309-R312 PolarHBondContact O-N 3.42Å; Y309-Q313 PolarHBondContact O-N 3.31Å
310N95.1Very high93Very high38 Ų3859.6 Ų59.620%0.20331%0.305CS..Hα-helixtrans-61.6-45.7174.7-175.429.2000111.3M297 Y306 E307 Q308 R312 Q313 Q314M297-N310 HydrophobicContact CE-CB 3.79Å; Y306-N310 WeakPolarHBondContact O-CB 3.45Å; Y306-N310 PolarHBondContact O-N 3.24Å; E307-N310 WeakPolarHBondContact O-CB 3.32Å; E307-N310 PolarHBondContact O-N 3.41Å; Q308-N310 VanDerWaalsContact C-N 3.32Å; Q308-N310 PolarHBondContact O-N 2.9Å; N310-R312 VanDerWaalsContact C-N 3.33Å; N310-R312 PolarHBondContact O-N 3.12Å; N310-Q313 WeakPolarHBondContact O-CG 3.31Å; N310-Q313 PolarHBondContact O-N 3.01Å; N310-Q313 PolarHBondContact O-NE2 2.88Å; N310-Q313 PolarHBondContact OD1-NE2 3.34Å; N310-Q313 VanDerWaalsContact OD1-NE2 3.08Å; N310-Q314 PolarHBondContact ND2-NE2 2.83Å; N310-Q314 VanDerWaalsContact O-CG 3.26Å; N310-Q314 WeakPolarHBondContact O-CG 3.25Å; N310-Q314 PolarHBondContact O-N 3.15Å; N310-Q314 PolarHBondContact OD1-NE2 2.76Å
311I95.3Very high93.5Very high11 Ų1156.5 Ų56.56%0.05628%0.278CS..Hα-helixtrans-61.2-43.7175.6-65.9163.9000110.6R155 Q158 L159 E162 E307 Q308 Q314 A315R155-I311 HydrophobicContact CB-CD1 3.95Å; R155-I311 HydrophobicContact CB-CG1 4.39Å; R155-I311 HydrophobicContact CG-CD1 4.02Å; Q158-I311 HydrophobicContact CB-CD1 3.88Å; Q158-I311 HydrophobicContact CB-CG2 4.27Å; Q158-I311 HydrophobicContact CG-CD1 4.45Å; L159-I311 HydrophobicContact CB-CG2 4.19Å; L159-I311 HydrophobicContact CD1-CG2 4.15Å; E162-I311 HydrophobicContact CB-CG2 4.4Å; E162-I311 HydrophobicContact CG-CG2 4.01Å; E307-I311 HydrophobicContact CG-CD1 4.24Å; E307-I311 WeakPolarHBondContact O-CG1 3.45Å; E307-I311 PolarHBondContact O-N 2.88Å; Q308-I311 PolarHBondContact O-N 3.5Å; I311-Q314 WeakPolarHBondContact O-CB 3.38Å; I311-Q314 PolarHBondContact O-N 3.06Å; I311-A315 PolarHBondContact O-N 3.1Å
312R96.5Very high93.8Very high109 Ų10956.1 Ų56.141%0.41128%0.276SS..Hα-helixtrans-64.5-43.4179.6-173.2173.3178.8-178.1-0.7112.6V293 Q308 Y309 N310 Q314 A315 L316V293-R312 HydrophobicContact CG1-CB 4.32Å; V293-R312 HydrophobicContact CG2-CG 4.13Å; Q308-R312 PolarHBondContact O-N 2.98Å; Y309-R312 PolarHBondContact O-N 3.42Å; N310-R312 VanDerWaalsContact C-N 3.33Å; N310-R312 PolarHBondContact O-N 3.12Å; R312-Q314 VanDerWaalsContact C-N 3.3Å; R312-Q314 PolarHBondContact O-N 2.79Å; R312-A315 PolarHBondContact O-N 3.19Å; R312-L316 HydrophobicContact CG-CD1 4.38Å; R312-L316 WeakPolarHBondContact O-CG 3.25Å; R312-L316 PolarHBondContact O-N 2.8Å; R312-L316 VanDerWaalsContact O-N 3.07Å
313Q95.6Very high93.9Very high23 Ų2353.6 Ų53.611%0.10726%0.258CS..Hα-helixtrans-67.3-33.1177.37676.229.400111.9R290 V293 M297 Y309 N310 L316 K317R290-Q313 HydrophobicContact CG-CB 4.19Å; V293-Q313 HydrophobicContact CB-CB 4.48Å; V293-Q313 HydrophobicContact CG1-CB 3.95Å; M297-Q313 HydrophobicContact SD-CG 3.84Å; Y309-Q313 PolarHBondContact O-N 3.31Å; N310-Q313 WeakPolarHBondContact O-CG 3.31Å; N310-Q313 PolarHBondContact O-N 3.01Å; N310-Q313 PolarHBondContact O-NE2 2.88Å; N310-Q313 PolarHBondContact OD1-NE2 3.34Å; N310-Q313 VanDerWaalsContact OD1-NE2 3.08Å; Q313-L316 PolarHBondContact O-N 2.66Å; Q313-K317 WeakPolarHBondContact O-CB 3.37Å; Q313-K317 PolarHBondContact O-N 2.86Å
314Q94.2Very high93.9Very high70 Ų7050.5 Ų50.533%0.32723%0.234SC..Hα-helixtrans-63.9-46.5172.2-71.6177.247.600111.3L159 N310 I311 R312 L316 K317 I318L159-Q314 HydrophobicContact CD1-CB 4.18Å; N310-Q314 PolarHBondContact ND2-NE2 2.83Å; N310-Q314 VanDerWaalsContact O-CG 3.26Å; N310-Q314 WeakPolarHBondContact O-CG 3.25Å; N310-Q314 PolarHBondContact O-N 3.15Å; N310-Q314 PolarHBondContact OD1-NE2 2.76Å; I311-Q314 WeakPolarHBondContact O-CB 3.38Å; I311-Q314 PolarHBondContact O-N 3.06Å; R312-Q314 VanDerWaalsContact C-N 3.3Å; R312-Q314 PolarHBondContact O-N 2.79Å; Q314-L316 VanDerWaalsContact C-N 3.32Å; Q314-L316 PolarHBondContact O-N 2.78Å; Q314-K317 WeakPolarHBondContact O-CB 3.08Å; Q314-K317 PolarHBondContact O-N 2.98Å; Q314-I318 WeakPolarHBondContact O-CB 3.03Å; Q314-I318 VanDerWaalsContact O-CG1 3.28Å; Q314-I318 WeakPolarHBondContact O-CG1 3.28Å; Q314-I318 PolarHBondContact O-N 3.24Å
315A95.7Very high93.9Very high0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-57.8-43.317700000112.3L159 E162 I163 I311 R312 T319L159-A315 HydrophobicContact CD1-CB 4.24Å; E162-A315 HydrophobicContact CB-CB 3.73Å; I163-A315 HydrophobicContact CG1-CB 3.65Å; I311-A315 PolarHBondContact O-N 3.1Å; R312-A315 PolarHBondContact O-N 3.19Å; A315-T319 WeakPolarHBondContact O-CB 3.28Å; A315-T319 PolarHBondContact O-N 2.88Å; A315-T319 PolarHBondContact O-OG1 3.35Å
316L96.2Very high93.9Very high6 Ų644 Ų443%0.03121%0.212CC..Hα-helixtrans-64-43.8175.7-69.6165.2000111.9V166 L286 R290 V293 R312 Q313 Q314 T319 A320V166-L316 HydrophobicContact CG1-CD2 3.95Å; V166-L316 HydrophobicContact CG2-CD2 3.8Å; V166-L316 HydrophobicContact CG2-CG 4.28Å; L286-L316 HydrophobicContact CD2-CD2 3.89Å; R290-L316 HydrophobicContact CB-CB 3.98Å; R290-L316 HydrophobicContact CB-CD1 4.01Å; R290-L316 HydrophobicContact CG-CB 4.27Å; V293-L316 HydrophobicContact CG2-CD1 4.24Å; R312-L316 HydrophobicContact CG-CD1 4.38Å; R312-L316 WeakPolarHBondContact O-CG 3.25Å; R312-L316 PolarHBondContact O-N 2.8Å; R312-L316 VanDerWaalsContact O-N 3.07Å; Q313-L316 PolarHBondContact O-N 2.66Å; Q314-L316 VanDerWaalsContact C-N 3.32Å; Q314-L316 PolarHBondContact O-N 2.78Å; L316-T319 PolarHBondContact O-N 2.71Å; L316-A320 WeakPolarHBondContact O-CB 3.44Å; L316-A320 PolarHBondContact O-N 3.43Å
317K93.9Very high93.8Very high95 Ų9538.9 Ų38.941%0.41319%0.192SC..Hα-helixtrans-59.4-50.5176-173.4-176.6-175.2176.70111.5Q313 Q314 T319 A320 N321Q313-K317 WeakPolarHBondContact O-CB 3.37Å; Q313-K317 PolarHBondContact O-N 2.86Å; Q314-K317 WeakPolarHBondContact O-CB 3.08Å; Q314-K317 PolarHBondContact O-N 2.98Å; K317-T319 VanDerWaalsContact C-N 3.3Å; K317-T319 PolarHBondContact O-N 3.29Å; K317-A320 PolarHBondContact O-N 2.83Å; K317-N321 WeakPolarHBondContact O-CB 3.38Å; K317-N321 PolarHBondContact O-N 3.18Å; K317-N321 VanDerWaalsContact O-N 3.07Å
318I92.6Very high93.8Very high44 Ų4436.6 Ų36.623%0.22619%0.185CC..Hα-helixtrans-60.4-43.7-178.8-69.2165.9000110.3F99 L159 I163 Q314 S322F99-I318 HydrophobicContact CD1-CD1 4.08Å; F99-I318 HydrophobicContact CE1-CD1 3.97Å; L159-I318 HydrophobicContact CD1-CD1 4.39Å; L159-I318 HydrophobicContact CD2-CD1 4.41Å; I163-I318 HydrophobicContact CD1-CD1 4.36Å; I163-I318 HydrophobicContact CD1-CG2 4.41Å; Q314-I318 WeakPolarHBondContact O-CB 3.03Å; Q314-I318 VanDerWaalsContact O-CG1 3.28Å; Q314-I318 WeakPolarHBondContact O-CG1 3.28Å; Q314-I318 PolarHBondContact O-N 3.24Å; I318-S322 WeakPolarHBondContact O-CB 3.5Å; I318-S322 PolarHBondContact O-N 2.88Å; I318-S322 VanDerWaalsContact O-N 3.15Å; I318-S322 PolarHBondContact O-OG 2.93Å
319T94.4Very high93.6Very high6 Ų635.7 Ų35.74%0.03718%0.179CC..Hα-helixtrans-65.6-50.8-179.2-55.60000111.2V166 V167 L186 L286 A315 L316 K317 N321 S322 V323V166-T319 HydrophobicContact CG1-CG2 4.07Å; V167-T319 HydrophobicContact CG2-CG2 3.77Å; L186-T319 HydrophobicContact CD2-CG2 4.11Å; L286-T319 HydrophobicContact CD1-CG2 3.98Å; L286-T319 HydrophobicContact CD2-CG2 4.38Å; A315-T319 WeakPolarHBondContact O-CB 3.28Å; A315-T319 PolarHBondContact O-N 2.88Å; A315-T319 PolarHBondContact O-OG1 3.35Å; L316-T319 PolarHBondContact O-N 2.71Å; K317-T319 VanDerWaalsContact C-N 3.3Å; K317-T319 PolarHBondContact O-N 3.29Å; T319-N321 PolarHBondContact O-N 3.08Å; T319-S322 PolarHBondContact O-N 3.47Å; T319-S322 VanDerWaalsContact O-N 3.17Å; T319-V323 WeakPolarHBondContact O-CG2 3.07Å; T319-V323 PolarHBondContact O-N 2.93Å
320A93.2Very high93.1Very high6 Ų635.4 Ų35.45%0.0519%0.191CC..Hα-helixtrans-59.3-45.7-179.400000112.3L286 L316 K317 S322 V323L286-A320 HydrophobicContact CB-CB 4.34Å; L286-A320 HydrophobicContact CD1-CB 4.23Å; L316-A320 WeakPolarHBondContact O-CB 3.44Å; L316-A320 PolarHBondContact O-N 3.43Å; K317-A320 PolarHBondContact O-N 2.83Å; A320-S322 VanDerWaalsContact C-N 3.26Å; A320-S322 PolarHBondContact O-N 2.87Å; A320-V323 WeakPolarHBondContact O-CB 3.39Å; A320-V323 PolarHBondContact O-N 2.88Å
321N91.3Very high92.7Very high68 Ų6837.2 Ų37.236%0.36421%0.211SC..Hα-helixtrans-67.9-26.2-179.8-71-3.2000112.9K317 T319 V323K317-N321 WeakPolarHBondContact O-CB 3.38Å; K317-N321 PolarHBondContact O-N 3.18Å; K317-N321 VanDerWaalsContact O-N 3.07Å; T319-N321 PolarHBondContact O-N 3.08Å; N321-V323 VanDerWaalsContact C-N 3.34Å
322S91.8Very high92.4Very high26 Ų2637.2 Ų37.218%0.18221%0.212CC..Hα-helixtrans-75.7-21179.1-61.90000113.4I318 T319 A320 Y324 G325 C326I318-S322 WeakPolarHBondContact O-CB 3.5Å; I318-S322 PolarHBondContact O-N 2.88Å; I318-S322 VanDerWaalsContact O-N 3.15Å; I318-S322 PolarHBondContact O-OG 2.93Å; T319-S322 PolarHBondContact O-N 3.47Å; T319-S322 VanDerWaalsContact O-N 3.17Å; A320-S322 VanDerWaalsContact C-N 3.26Å; A320-S322 PolarHBondContact O-N 2.87Å; S322-Y324 PolarHBondContact O-N 3.06Å; S322-G325 PolarHBondContact O-N 3.4Å; S322-G325 VanDerWaalsContact O-N 3.15Å; S322-C326 PolarHBondContact O-N 2.83Å; S322-C326 PolarHBondContact O-SG 2.9Å
323V93.1Very high92.2Very high2 Ų235 Ų351%0.01220%0.204CC..Hα-helixtrans-58.2-47.8-176.3176.90000111.7T183 L186 L279 I283 T319 A320 N321 G325 C326T183-V323 HydrophobicContact CG2-CG2 4.43Å; L186-V323 HydrophobicContact CD2-CG2 4.21Å; L279-V323 HydrophobicContact CD1-CG1 3.44Å; L279-V323 VanDerWaalsContact CD1-CG1 3.44Å; L279-V323 HydrophobicContact CG-CG1 4.44Å; I283-V323 HydrophobicContact CD1-CB 4.43Å; I283-V323 HydrophobicContact CD1-CG1 4Å; I283-V323 HydrophobicContact CG1-CG1 4.28Å; I283-V323 HydrophobicContact CG1-CG2 4.5Å; T319-V323 WeakPolarHBondContact O-CG2 3.07Å; T319-V323 PolarHBondContact O-N 2.93Å; A320-V323 WeakPolarHBondContact O-CB 3.39Å; A320-V323 PolarHBondContact O-N 2.88Å; N321-V323 VanDerWaalsContact C-N 3.34Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.28Å; V323-C326 PolarHBondContact O-N 3.42Å
324Y93Very high92.1Very high38 Ų3834 Ų3415%0.14920%0.199CC..Hα-helixtrans-57.2-46.5176157.1-98.7000112Y215 Y241 S322 C326 L327 G328 A340 V343 T344Y215-Y324 PolarHBondContact OH-OH 2.77Å; Y215-Y324 VanDerWaalsContact OH-OH 3.04Å; Y241-Y324 AromaticContact CD2-CD1 3.37Å; Y241-Y324 HydrophobicContact CD2-CD1 3.37Å; Y241-Y324 AromaticContact CD2-CD2 3.74Å; Y241-Y324 HydrophobicContact CD2-CD2 3.74Å; Y241-Y324 AromaticContact CD2-CE1 3.55Å; Y241-Y324 HydrophobicContact CD2-CE1 3.55Å; Y241-Y324 AromaticContact CD2-CE2 3.9Å; Y241-Y324 HydrophobicContact CD2-CE2 3.9Å; Y241-Y324 AromaticContact CD2-CG 3.46Å; Y241-Y324 HydrophobicContact CD2-CG 3.46Å; Y241-Y324 VanDerWaalsContact CD2-CG 3.46Å; Y241-Y324 AromaticContact CD2-CZ 3.8Å; Y241-Y324 AromaticContact CE2-CD1 3.82Å; Y241-Y324 HydrophobicContact CE2-CD1 3.82Å; Y241-Y324 HydrophobicContact CE2-CD2 4.28Å; Y241-Y324 AromaticContact CE2-CE1 3.46Å; Y241-Y324 HydrophobicContact CE2-CE1 3.46Å; Y241-Y324 VanDerWaalsContact CE2-CE1 3.46Å; Y241-Y324 AromaticContact CE2-CE2 3.94Å; Y241-Y324 HydrophobicContact CE2-CE2 3.94Å; Y241-Y324 HydrophobicContact CE2-CG 4.21Å; Y241-Y324 AromaticContact CE2-CZ 3.51Å; Y241-Y324 HydrophobicContact CG-CD1 4.46Å; Y241-Y324 HydrophobicContact CG-CD2 4.27Å; Y241-Y324 HydrophobicContact CG-CG 4.18Å; S322-Y324 PolarHBondContact O-N 3.06Å; Y324-C326 PolarHBondContact O-N 3.16Å; Y324-C326 VanDerWaalsContact O-N 3.12Å; Y324-L327 WeakPolarHBondContact O-CB 3.3Å; Y324-L327 PolarHBondContact O-N 2.84Å; Y324-G328 PolarHBondContact O-N 3.25Å; Y324-A340 HydrophobicContact CE2-CB 4.38Å; Y324-V343 HydrophobicContact CD2-CB 4.33Å; Y324-V343 HydrophobicContact CD2-CG1 3.9Å; Y324-V343 HydrophobicContact CE2-CB 4.48Å; Y324-V343 HydrophobicContact CE2-CG1 4.24Å; Y324-T344 HydrophobicContact CE2-CG2 3.84Å; Y324-T344 WeakPolarHBondContact OH-CG2 3.11Å
325G91.4Very high92Very high37 Ų3735 Ų3538%0.38120%0.201SC..Hα-helixtrans-58.7-30.1-176.700000112.5S322 V323 F329S322-G325 PolarHBondContact O-N 3.4Å; S322-G325 VanDerWaalsContact O-N 3.15Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.28Å; G325-F329 WeakPolarHBondContact O-CB 3.47Å; G325-F329 PolarHBondContact O-N 3.17Å; G325-F329 VanDerWaalsContact O-N 3.17Å
326C92.4Very high91.8Very high6 Ų635.6 Ų35.64%0.04121%0.205CC..Hα-helixtrans-72.9-35.5178.6-61.60000112.8T183 S322 V323 Y324 G328 F329 S332T183-C326 WeakPolarHBondContact CB-SG 3.35Å; T183-C326 HydrophobicContact CG2-CB 3.75Å; T183-C326 PolarHBondContact OG1-SG 3.15Å; S322-C326 PolarHBondContact O-N 2.83Å; S322-C326 PolarHBondContact O-SG 2.9Å; V323-C326 PolarHBondContact O-N 3.42Å; Y324-C326 PolarHBondContact O-N 3.16Å; Y324-C326 VanDerWaalsContact O-N 3.12Å; C326-G328 VanDerWaalsContact C-N 3.26Å; C326-G328 PolarHBondContact O-N 2.82Å; C326-F329 PolarHBondContact O-N 3.08Å; C326-S332 VanDerWaalsContact O-CB 3.27Å; C326-S332 WeakPolarHBondContact O-CB 3.38Å
327L93.1Very high91.6Very high1 Ų137.9 Ų37.91%0.00522%0.215CC..Hα-helixtrans-61.2-36.7175.5-56.5178.4000111.9I245 F252 L279 Y324 Y335 A336 L339 A340I245-L327 HydrophobicContact CD1-CD1 4.49Å; F252-L327 HydrophobicContact CE1-CD2 4.18Å; F252-L327 HydrophobicContact CE2-CD2 4.01Å; F252-L327 HydrophobicContact CZ-CD2 3.4Å; L279-L327 HydrophobicContact CD2-CD1 3.99Å; L279-L327 HydrophobicContact CD2-CD2 4.29Å; Y324-L327 WeakPolarHBondContact O-CB 3.3Å; Y324-L327 PolarHBondContact O-N 2.84Å; L327-Y335 VanDerWaalsContact O-CD2 3.26Å; L327-Y335 WeakPolarHBondContact O-CD2 3.35Å; L327-A336 CarbonylContact O-C 3.23Å; L327-A336 VanDerWaalsContact O-C 3.23Å; L327-A336 PolarHBondContact O-N 3.31Å; L327-L339 HydrophobicContact CD1-CB 4.26Å; L327-A340 HydrophobicContact CB-CB 4.03Å
328G90.6Very high91.5Very high13 Ų1334.9 Ų34.913%0.13421%0.205CC..Hα-helixtrans-85.9-12.8179.100000114.9Y324 C326 G330Y324-G328 PolarHBondContact O-N 3.25Å; C326-G328 VanDerWaalsContact C-N 3.26Å; C326-G328 PolarHBondContact O-N 2.82Å; G328-G330 PolarHBondContact O-N 2.77Å
329F89.7Confident91.6Very high103 Ų10332.8 Ų32.845%0.45219%0.194SC..  trans-84.5109.6-174.9-178.8-127.6000111.5A180 G325 C326 A331 S332 Y335A180-F329 HydrophobicContact CB-CD1 3.72Å; A180-F329 HydrophobicContact CB-CE1 3.88Å; G325-F329 WeakPolarHBondContact O-CB 3.47Å; G325-F329 PolarHBondContact O-N 3.17Å; G325-F329 VanDerWaalsContact O-N 3.17Å; C326-F329 PolarHBondContact O-N 3.08Å; F329-A331 HydrophobicContact CD1-CB 4.32Å; F329-A331 HydrophobicContact CE1-CB 3.68Å; F329-A331 HydrophobicContact CE2-CB 4.31Å; F329-A331 HydrophobicContact CZ-CB 3.68Å; F329-A331 PolarHBondContact O-N 2.89Å; F329-S332 VanDerWaalsContact CD1-N 3.34Å; F329-S332 WeakPolarHBondContact O-CB 3.41Å; F329-S332 PolarHBondContact O-N 2.96Å; F329-Y335 VanDerWaalsContact C-CD2 3.47Å; F329-Y335 VanDerWaalsContact O-CD2 3.26Å; F329-Y335 WeakPolarHBondContact O-CD2 3.4Å
330G86.4Confident91.6Very high41 Ų4132.5 Ų32.542%0.42319%0.192SC..THydrogen-bonded Turntrans-61.6-6.4-174.600000117.1G328G328-G330 PolarHBondContact O-N 2.77Å
331A85.6Confident91.6Very high77 Ų7732.6 Ų32.664%0.63619%0.193SC*.THydrogen-bonded Turntrans-113.45.5173.200000113.7F329F329-A331 HydrophobicContact CD1-CB 4.32Å; F329-A331 HydrophobicContact CE1-CB 3.68Å; F329-A331 HydrophobicContact CE2-CB 4.31Å; F329-A331 HydrophobicContact CZ-CB 3.68Å; F329-A331 PolarHBondContact O-N 2.89Å
332S90.7Very high91.8Very high10 Ų1029.6 Ų29.67%0.0718%0.177CC..SBendtrans-69.5147.4169.8174.20000110.4D184 C326 F329 F334 Y335D184-S332 PolarHBondContact OD1-OG 3.43Å; C326-S332 VanDerWaalsContact O-CB 3.27Å; C326-S332 WeakPolarHBondContact O-CB 3.38Å; F329-S332 VanDerWaalsContact CD1-N 3.34Å; F329-S332 WeakPolarHBondContact O-CB 3.41Å; F329-S332 PolarHBondContact O-N 2.96Å; S332-F334 PolarHBondContact O-N 2.92Å; S332-F334 PolarHBondContact OG-N 3.21Å; S332-Y335 WeakPolarHBondContact O-CB 3.45Å; S332-Y335 PolarHBondContact O-N 2.92Å
333R92.3Very high92Very high62 Ų6228.4 Ų28.423%0.23417%0.169CC..THydrogen-bonded Turntrans-61.5-33.7172-173.7176.8-174.7164.12.9111.9D184 L188 Y198 P199D184-R333 HydrophobicContact CB-CB 4.43Å; D184-R333 WeakPolarHBondContact OD1-CB 3.42Å; D184-R333 PolarHBondContact OD1-N 2.89Å; D184-R333 WeakPolarHBondContact OD2-CB 3.5Å; L188-R333 VanDerWaalsContact CD1-NH1 3.29Å; L188-R333 VanDerWaalsContact CD2-CZ 3.41Å; L188-R333 VanDerWaalsContact CD2-NH1 3.33Å; Y198-R333 VanDerWaalsContact CD2-NH2 3.28Å; P199-R333 PolarHBondContact O-NE 2.9Å; P199-R333 PolarHBondContact O-NH2 2.69Å
334F93.4Very high92.1Very high4 Ų428.3 Ų28.32%0.01817%0.168CC..THydrogen-bonded Turntrans-103.333.8180-66-86.7000112.4D184 L187 L188 F191 P199 F252 S332 A336D184-F334 HydrophobicContact CB-CD2 4.48Å; D184-F334 HydrophobicContact CB-CE2 4.45Å; L187-F334 HydrophobicContact CB-CD1 4.27Å; L187-F334 HydrophobicContact CB-CD2 3.89Å; L187-F334 HydrophobicContact CB-CE1 3.98Å; L187-F334 HydrophobicContact CB-CE2 3.58Å; L187-F334 HydrophobicContact CB-CG 4.23Å; L187-F334 HydrophobicContact CB-CZ 3.62Å; L187-F334 HydrophobicContact CD1-CB 3.79Å; L187-F334 HydrophobicContact CD1-CD1 4.01Å; L187-F334 HydrophobicContact CD1-CD2 3.81Å; L187-F334 HydrophobicContact CD1-CE2 4.37Å; L187-F334 HydrophobicContact CD1-CG 3.6Å; L187-F334 HydrophobicContact CG-CD2 4.47Å; L188-F334 HydrophobicContact CD2-CE2 4.23Å; L188-F334 HydrophobicContact CD2-CZ 3.96Å; L188-F334 HydrophobicContact CG-CE2 3.99Å; L188-F334 HydrophobicContact CG-CZ 4.07Å; F191-F334 HydrophobicContact CD2-CD1 4.43Å; F191-F334 AromaticContact CD2-CE1 3.54Å; F191-F334 HydrophobicContact CD2-CE1 3.54Å; F191-F334 HydrophobicContact CD2-CZ 4.06Å; F191-F334 HydrophobicContact CE2-CD1 4.04Å; F191-F334 AromaticContact CE2-CE1 3.59Å; F191-F334 HydrophobicContact CE2-CE1 3.59Å; F191-F334 HydrophobicContact CE2-CZ 4.46Å; P199-F334 HydrophobicContact CG-CD1 4.33Å; P199-F334 HydrophobicContact CG-CE1 4.41Å; F252-F334 HydrophobicContact CE1-CB 4.3Å; F252-F334 HydrophobicContact CZ-CB 3.84Å; F252-F334 HydrophobicContact CZ-CD1 4.28Å; S332-F334 PolarHBondContact O-N 2.92Å; S332-F334 PolarHBondContact OG-N 3.21Å; F334-A336 PolarHBondContact O-N 3.19Å
335Y92.1Very high92.1Very high91 Ų9128 Ų2836%0.35717%0.172SC..  trans-59.7124177.8174.6-120.9000111.8L327 F329 S332 K337L327-Y335 VanDerWaalsContact O-CD2 3.26Å; L327-Y335 WeakPolarHBondContact O-CD2 3.35Å; F329-Y335 VanDerWaalsContact C-CD2 3.47Å; F329-Y335 VanDerWaalsContact O-CD2 3.26Å; F329-Y335 WeakPolarHBondContact O-CD2 3.4Å; S332-Y335 WeakPolarHBondContact O-CB 3.45Å; S332-Y335 PolarHBondContact O-N 2.92Å; Y335-K337 HydrophobicContact CE2-CB 4.08Å; Y335-K337 WeakPolarHBondContact OH-CB 3.36Å
336A91.7Very high92.3Very high11 Ų1127.8 Ų27.89%0.09116%0.16CC..  trans-147.178.4179.700000110.8F252 L327 F334 P338 L339 A340F252-A336 HydrophobicContact CD1-CB 4.32Å; F252-A336 HydrophobicContact CE1-CB 3.73Å; L327-A336 CarbonylContact O-C 3.23Å; L327-A336 VanDerWaalsContact O-C 3.23Å; L327-A336 PolarHBondContact O-N 3.31Å; F334-A336 PolarHBondContact O-N 3.19Å; A336-P338 VanDerWaalsContact C-CD 3.42Å; A336-P338 VanDerWaalsContact C-N 3.32Å; A336-L339 HydrophobicContact CB-CB 4.14Å; A336-L339 HydrophobicContact CB-CD1 3.78Å; A336-L339 HydrophobicContact CB-CG 3.89Å; A336-L339 PolarHBondContact O-N 3.36Å; A336-L339 VanDerWaalsContact O-N 3.08Å; A336-A340 PolarHBondContact O-N 3.06Å; A336-A340 VanDerWaalsContact O-N 3.1Å
337K91.2Very high92.4Very high54 Ų5427.6 Ų27.624%0.23516%0.16CC..Hα-helixtrans-47.5-45.6176.3174.6-177159.8175.50113.4S214 Y215 D264 Y335 L339 A340 A341S214-K337 WeakPolarHBondContact O-CE 3.13Å; S214-K337 PolarHBondContact O-NZ 3.42Å; Y215-K337 HydrophobicContact CD1-CG 4.25Å; D264-K337 IonicContact OD1-NZ 2.79Å; D264-K337 PolarHBondContact OD1-NZ 3.37Å; Y335-K337 HydrophobicContact CE2-CB 4.08Å; Y335-K337 WeakPolarHBondContact OH-CB 3.36Å; K337-L339 VanDerWaalsContact C-N 3.31Å; K337-L339 PolarHBondContact O-N 3.4Å; K337-A340 PolarHBondContact O-N 2.63Å; K337-A341 WeakPolarHBondContact O-CB 3.45Å; K337-A341 PolarHBondContact O-N 3.46Å
338P92.3Very high92.4Very high32 Ų3229.7 Ų29.721%0.20817%0.167CC..Hα-helixtrans-59.9-39.3-179.4-25.536000113.1W265 P267 A336 L342W265-P338 HydrophobicContact CZ3-CB 4.43Å; P267-P338 WeakPolarHBondContact CD-O 3.48Å; P267-P338 HydrophobicContact CG-CB 3.97Å; A336-P338 VanDerWaalsContact C-CD 3.42Å; A336-P338 VanDerWaalsContact C-N 3.32Å; P338-L342 WeakPolarHBondContact O-CB 3.37Å; P338-L342 PolarHBondContact O-N 2.75Å
339L94.5Very high92.6Very high0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-68-44.9176.8-58-175.3000111.2I250 F252 V255 T257 L327 A336 K337 A341 L342 V343I250-L339 HydrophobicContact CG2-CB 4.32Å; I250-L339 HydrophobicContact CG2-CD2 4.04Å; F252-L339 HydrophobicContact CD1-CD1 3.9Å; F252-L339 HydrophobicContact CE1-CD1 4.07Å; F252-L339 HydrophobicContact CG-CD1 4.14Å; F252-L339 HydrophobicContact CZ-CD1 4.45Å; V255-L339 HydrophobicContact CB-CD2 3.63Å; V255-L339 HydrophobicContact CG1-CD2 3.78Å; V255-L339 HydrophobicContact CG2-CD2 3.93Å; T257-L339 HydrophobicContact CG2-CD2 4.21Å; T257-L339 HydrophobicContact CG2-CG 4.45Å; L327-L339 HydrophobicContact CD1-CB 4.26Å; A336-L339 HydrophobicContact CB-CB 4.14Å; A336-L339 HydrophobicContact CB-CD1 3.78Å; A336-L339 HydrophobicContact CB-CG 3.89Å; A336-L339 PolarHBondContact O-N 3.36Å; A336-L339 VanDerWaalsContact O-N 3.08Å; K337-L339 VanDerWaalsContact C-N 3.31Å; K337-L339 PolarHBondContact O-N 3.4Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.86Å; L339-L342 PolarHBondContact O-N 2.73Å; L339-V343 WeakPolarHBondContact O-CG2 3.44Å; L339-V343 PolarHBondContact O-N 3.08Å
340A94.1Very high92.7Very high0 Ų027.4 Ų27.40%016%0.155CC..Hα-helixtrans-60.8-42.5177.200000111.9Y215 Y324 L327 A336 K337 V343 T344Y215-A340 HydrophobicContact CE1-CB 4.13Å; Y215-A340 HydrophobicContact CE2-CB 4.04Å; Y324-A340 HydrophobicContact CE2-CB 4.38Å; L327-A340 HydrophobicContact CB-CB 4.03Å; A336-A340 PolarHBondContact O-N 3.06Å; A336-A340 VanDerWaalsContact O-N 3.1Å; K337-A340 PolarHBondContact O-N 2.63Å; A340-V343 PolarHBondContact O-N 3.24Å; A340-T344 WeakPolarHBondContact O-CG2 3.07Å; A340-T344 PolarHBondContact O-N 3.44Å; A340-T344 VanDerWaalsContact O-N 3.09Å; A340-T344 PolarHBondContact O-OG1 2.84Å
341A93.3Very high92.9Very high8 Ų825.5 Ų25.57%0.06614%0.135CC..Hα-helixtrans-63.6-44176.400000111.7Y215 I266 K337 L339 T344 S345Y215-A341 HydrophobicContact CD2-CB 4.36Å; Y215-A341 HydrophobicContact CG-CB 4.42Å; I266-A341 HydrophobicContact CG1-CB 4.34Å; K337-A341 WeakPolarHBondContact O-CB 3.45Å; K337-A341 PolarHBondContact O-N 3.46Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.86Å; A341-T344 PolarHBondContact O-N 2.82Å; A341-T344 PolarHBondContact O-OG1 3.38Å; A341-S345 WeakPolarHBondContact O-CB 3.32Å; A341-S345 PolarHBondContact O-N 2.92Å
342L94.9Very high93.2Very high6 Ų625.5 Ų25.53%0.03112%0.123CC..Hα-helixtrans-60.3-47.1176.1177.356.7000112.1I250 V255 I266 P267 V269 P338 L339 T344 S345 K346I250-L342 HydrophobicContact CD1-CD2 4.1Å; I250-L342 HydrophobicContact CD1-CG 3.96Å; I250-L342 HydrophobicContact CG1-CD2 4.08Å; I250-L342 HydrophobicContact CG1-CG 4.5Å; I250-L342 HydrophobicContact CG2-CD2 4.39Å; V255-L342 HydrophobicContact CG1-CD2 4.36Å; V255-L342 HydrophobicContact CG2-CD2 4.29Å; I266-L342 HydrophobicContact CG2-CB 4.16Å; I266-L342 HydrophobicContact CG2-CD1 4.16Å; P267-L342 HydrophobicContact CG-CB 4.17Å; P267-L342 HydrophobicContact CG-CD2 4.17Å; P267-L342 WeakPolarHBondContact O-CD1 3.47Å; V269-L342 HydrophobicContact CG2-CD1 4.21Å; P338-L342 WeakPolarHBondContact O-CB 3.37Å; P338-L342 PolarHBondContact O-N 2.75Å; L339-L342 PolarHBondContact O-N 2.73Å; L342-T344 VanDerWaalsContact C-N 3.34Å; L342-T344 PolarHBondContact O-N 2.87Å; L342-S345 WeakPolarHBondContact O-CB 3.31Å; L342-S345 PolarHBondContact O-N 2.88Å; L342-S345 VanDerWaalsContact O-N 3.11Å; L342-K346 HydrophobicContact CD1-CG 4.37Å; L342-K346 PolarHBondContact O-N 3.37Å
343V95.7Very high93.2Very high0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-56.8-48.6176.8171.40000110.8Y241 I244 I245 I250 Y324 L339 A340 S345 K346 G347Y241-V343 HydrophobicContact CD1-CG1 3.77Å; Y241-V343 HydrophobicContact CD2-CG1 4.47Å; Y241-V343 HydrophobicContact CE1-CG1 4.47Å; Y241-V343 HydrophobicContact CG-CG1 3.77Å; I244-V343 HydrophobicContact CG2-CB 4.47Å; I244-V343 HydrophobicContact CG2-CG1 4.13Å; I245-V343 HydrophobicContact CD1-CG2 4.3Å; I245-V343 HydrophobicContact CG1-CG2 3.68Å; I250-V343 HydrophobicContact CD1-CG2 3.77Å; I250-V343 HydrophobicContact CG2-CG2 4.19Å; Y324-V343 HydrophobicContact CD2-CB 4.33Å; Y324-V343 HydrophobicContact CD2-CG1 3.9Å; Y324-V343 HydrophobicContact CE2-CB 4.48Å; Y324-V343 HydrophobicContact CE2-CG1 4.24Å; L339-V343 WeakPolarHBondContact O-CG2 3.44Å; L339-V343 PolarHBondContact O-N 3.08Å; A340-V343 PolarHBondContact O-N 3.24Å; V343-S345 VanDerWaalsContact C-N 3.32Å; V343-S345 PolarHBondContact O-N 3.48Å; V343-K346 PolarHBondContact O-N 2.93Å; V343-G347 PolarHBondContact O-N 3.15Å
344T95Very high93Very high1 Ų126 Ų261%0.00613%0.127CC..Hα-helixtrans-65.7-35.1177.655.60000112.7Y215 T216 Y241 Y324 A340 A341 L342 G347 R348Y215-T344 HydrophobicContact CD2-CG2 4.45Å; Y215-T344 HydrophobicContact CE2-CG2 3.9Å; T216-T344 WeakPolarHBondContact O-CB 3.4Å; T216-T344 PolarHBondContact O-OG1 2.84Å; Y241-T344 HydrophobicContact CE2-CG2 4.42Å; Y324-T344 HydrophobicContact CE2-CG2 3.84Å; Y324-T344 WeakPolarHBondContact OH-CG2 3.11Å; A340-T344 WeakPolarHBondContact O-CG2 3.07Å; A340-T344 PolarHBondContact O-N 3.44Å; A340-T344 VanDerWaalsContact O-N 3.09Å; A340-T344 PolarHBondContact O-OG1 2.84Å; A341-T344 PolarHBondContact O-N 2.82Å; A341-T344 PolarHBondContact O-OG1 3.38Å; L342-T344 VanDerWaalsContact C-N 3.34Å; L342-T344 PolarHBondContact O-N 2.87Å; T344-G347 PolarHBondContact O-N 3.29Å; T344-R348 WeakPolarHBondContact O-CG 3.49Å; T344-R348 PolarHBondContact O-N 3.38Å
345S94.9Very high92.9Very high31 Ų3128.2 Ų28.222%0.21714%0.137CC..Hα-helixtrans-62.1-48.1177.8-161.30000111.5A341 L342 V343 G347 R348 E349A341-S345 WeakPolarHBondContact O-CB 3.32Å; A341-S345 PolarHBondContact O-N 2.92Å; L342-S345 WeakPolarHBondContact O-CB 3.31Å; L342-S345 PolarHBondContact O-N 2.88Å; L342-S345 VanDerWaalsContact O-N 3.11Å; V343-S345 VanDerWaalsContact C-N 3.32Å; V343-S345 PolarHBondContact O-N 3.48Å; S345-G347 VanDerWaalsContact C-N 3.3Å; S345-G347 PolarHBondContact O-N 2.99Å; S345-R348 PolarHBondContact O-N 3.34Å; S345-E349 PolarHBondContact O-N 3.08Å
346K94.3Very high92.9Very high32 Ų3227 Ų2714%0.13914%0.137CC..Hα-helixtrans-63.7-35174.1-72.6-51.1-166.8-176.50112.7I244 Y248 V269 L342 V343 R348 E349 I350I244-K346 HydrophobicContact CD1-CB 4.45Å; I244-K346 HydrophobicContact CG2-CB 3.91Å; Y248-K346 HydrophobicContact CD2-CB 4.31Å; Y248-K346 HydrophobicContact CD2-CG 4.12Å; Y248-K346 HydrophobicContact CE1-CD 4.46Å; Y248-K346 HydrophobicContact CE2-CB 4.03Å; Y248-K346 HydrophobicContact CE2-CD 4.32Å; Y248-K346 HydrophobicContact CE2-CG 4.02Å; V269-K346 HydrophobicContact CG2-CD 4.41Å; V269-K346 HydrophobicContact CG2-CG 4.47Å; L342-K346 HydrophobicContact CD1-CG 4.37Å; L342-K346 PolarHBondContact O-N 3.37Å; V343-K346 PolarHBondContact O-N 2.93Å; K346-R348 VanDerWaalsContact C-N 3.34Å; K346-R348 PolarHBondContact O-N 2.86Å; K346-E349 VanDerWaalsContact CD-OE2 3.27Å; K346-E349 WeakPolarHBondContact CD-OE2 3.43Å; K346-E349 IonicContact NZ-OE1 3.33Å; K346-E349 PolarHBondContact NZ-OE1 3.37Å; K346-E349 IonicContact NZ-OE2 2.76Å; K346-E349 PolarHBondContact NZ-OE2 2.8Å; K346-E349 PolarHBondContact O-N 3.22Å; K346-I350 WeakPolarHBondContact O-CB 3.41Å; K346-I350 WeakPolarHBondContact O-CD1 3.28Å; K346-I350 VanDerWaalsContact O-CG1 3.24Å; K346-I350 WeakPolarHBondContact O-CG1 3.41Å; K346-I350 PolarHBondContact O-N 3.14Å
347G93.8Very high92.6Very high3 Ų327.9 Ų27.93%0.03114%0.141CC..Hα-helixtrans-61.2-40.8173.500000113I244 V343 T344 S345 L351I244-G347 VanDerWaalsContact CD1-CA 3.47Å; V343-G347 PolarHBondContact O-N 3.15Å; T344-G347 PolarHBondContact O-N 3.29Å; S345-G347 VanDerWaalsContact C-N 3.3Å; S345-G347 PolarHBondContact O-N 2.99Å; G347-L351 WeakPolarHBondContact O-CB 3.4Å; G347-L351 PolarHBondContact O-N 3.48Å; G347-L351 VanDerWaalsContact O-N 3.11Å
348R94.5Very high92.5Very high45 Ų4525.3 Ų25.317%0.1713%0.13CC..Hα-helixtrans-67.6-43.3175.7-60.8-167.8-66.1-81.5-4.7112.1T216 G217 L219 T344 S345 K346 L351 I352T216-R348 PolarHBondContact O-NH1 2.94Å; G217-R348 PolarHBondContact O-NH1 3.19Å; L219-R348 HydrophobicContact CB-CB 4.04Å; L219-R348 HydrophobicContact CB-CG 3.65Å; T344-R348 WeakPolarHBondContact O-CG 3.49Å; T344-R348 PolarHBondContact O-N 3.38Å; S345-R348 PolarHBondContact O-N 3.34Å; K346-R348 VanDerWaalsContact C-N 3.34Å; K346-R348 PolarHBondContact O-N 2.86Å; R348-L351 PolarHBondContact O-N 3.45Å; R348-I352 WeakPolarHBondContact O-CG1 3.3Å; R348-I352 PolarHBondContact O-N 2.94Å
349E93.7Very high92.4Very high68 Ų6827.3 Ų27.332%0.31814%0.136SC..Hα-helixtrans-57.8-51.9176.5-175-179.6136.700110.8S345 K346 L351 I352 E353S345-E349 PolarHBondContact O-N 3.08Å; K346-E349 VanDerWaalsContact CD-OE2 3.27Å; K346-E349 WeakPolarHBondContact CD-OE2 3.43Å; K346-E349 IonicContact NZ-OE1 3.33Å; K346-E349 PolarHBondContact NZ-OE1 3.37Å; K346-E349 IonicContact NZ-OE2 2.76Å; K346-E349 PolarHBondContact NZ-OE2 2.8Å; K346-E349 PolarHBondContact O-N 3.22Å; E349-L351 VanDerWaalsContact C-N 3.32Å; E349-L351 PolarHBondContact O-N 3.42Å; E349-I352 PolarHBondContact O-N 3.45Å; E349-E353 WeakPolarHBondContact O-CG 3.35Å; E349-E353 PolarHBondContact O-N 2.73Å
350I91.6Very high92.1Very high0 Ų035.5 Ų35.50%017%0.172CC..Hα-helixtrans-57.7-43.4177.6-70.5163.8000111.4F237 I244 Y248 K346 E353 T354 L399F237-I350 HydrophobicContact CE1-CG2 4.11Å; F237-I350 HydrophobicContact CE2-CG2 3.79Å; F237-I350 HydrophobicContact CZ-CG2 3.48Å; F237-I350 VanDerWaalsContact CZ-CG2 3.48Å; I244-I350 HydrophobicContact CD1-CD1 3.86Å; I244-I350 HydrophobicContact CG1-CD1 3.75Å; Y248-I350 HydrophobicContact CE2-CD1 4.15Å; K346-I350 WeakPolarHBondContact O-CB 3.41Å; K346-I350 WeakPolarHBondContact O-CD1 3.28Å; K346-I350 VanDerWaalsContact O-CG1 3.24Å; K346-I350 WeakPolarHBondContact O-CG1 3.41Å; K346-I350 PolarHBondContact O-N 3.14Å; I350-E353 PolarHBondContact O-N 3.33Å; I350-T354 VanDerWaalsContact O-CB 3.3Å; I350-T354 WeakPolarHBondContact O-CB 3.08Å; I350-T354 PolarHBondContact O-N 2.85Å; I350-T354 PolarHBondContact O-OG1 2.86Å; I350-L399 HydrophobicContact CD1-CD1 3.97Å; I350-L399 HydrophobicContact CD1-CD2 3.93Å
351L91.9Very high91.8Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-64.6-42180-171.867.3000112L219 L221 G347 R348 E349 K355 L373L219-L351 HydrophobicContact CB-CD2 4.06Å; L219-L351 HydrophobicContact CD2-CD2 4.2Å; L219-L351 HydrophobicContact CG-CD2 4.19Å; L221-L351 HydrophobicContact CG-CD2 4.39Å; G347-L351 WeakPolarHBondContact O-CB 3.4Å; G347-L351 PolarHBondContact O-N 3.48Å; G347-L351 VanDerWaalsContact O-N 3.11Å; R348-L351 PolarHBondContact O-N 3.45Å; E349-L351 VanDerWaalsContact C-N 3.32Å; E349-L351 PolarHBondContact O-N 3.42Å; L351-K355 WeakPolarHBondContact O-CB 3.22Å; L351-K355 PolarHBondContact O-N 3.23Å; L351-L373 HydrophobicContact CD1-CD1 4.45Å; L351-L373 HydrophobicContact CD1-CD2 3.64Å; L351-L373 HydrophobicContact CD1-CG 3.83Å; L351-L373 HydrophobicContact CG-CD2 4.4Å
352I92.3Very high91.5Very high77 Ų7743.4 Ų43.440%0.39523%0.229SC..Hα-helixtrans-66.2-48.2177.1-67166.8000110.3L219 R348 E349 T354 K355 D356L219-I352 HydrophobicContact CD2-CD1 3.81Å; L219-I352 HydrophobicContact CD2-CG1 3.5Å; L219-I352 VanDerWaalsContact CD2-CG1 3.5Å; R348-I352 WeakPolarHBondContact O-CG1 3.3Å; R348-I352 PolarHBondContact O-N 2.94Å; E349-I352 PolarHBondContact O-N 3.45Å; I352-T354 VanDerWaalsContact C-N 3.29Å; I352-T354 PolarHBondContact O-N 2.6Å; I352-K355 WeakPolarHBondContact O-CB 2.66Å; I352-K355 PolarHBondContact O-N 3.05Å; I352-D356 PolarHBondContact O-N 3.35Å
353E89.9Confident91.3Very high77 Ų7744.3 Ų44.336%0.3623%0.234SC..Hα-helixtrans-58.9-42.3177.3-72.9179.6177.500111.8E349 I350 D356 V357E349-E353 WeakPolarHBondContact O-CG 3.35Å; E349-E353 PolarHBondContact O-N 2.73Å; I350-E353 PolarHBondContact O-N 3.33Å; E353-D356 PolarHBondContact O-N 2.89Å; E353-V357 VanDerWaalsContact O-CG2 3.28Å; E353-V357 WeakPolarHBondContact O-CG2 3.24Å; E353-V357 PolarHBondContact O-N 2.9Å
354T88.7Confident91.2Very high5 Ų547.4 Ų47.43%0.03125%0.249CC..Hα-helixtrans-66-41.2179-53.60000110.8F237 I350 I352 D356 V357 V358 L373 Y396 L401F237-T354 HydrophobicContact CZ-CG2 4.31Å; F237-T354 WeakPolarHBondContact CZ-OG1 3.45Å; I350-T354 VanDerWaalsContact O-CB 3.3Å; I350-T354 WeakPolarHBondContact O-CB 3.08Å; I350-T354 PolarHBondContact O-N 2.85Å; I350-T354 PolarHBondContact O-OG1 2.86Å; I352-T354 VanDerWaalsContact C-N 3.29Å; I352-T354 PolarHBondContact O-N 2.6Å; T354-D356 PolarHBondContact O-N 2.83Å; T354-V357 PolarHBondContact O-N 3.2Å; T354-V358 VanDerWaalsContact O-CG2 3.32Å; T354-V358 WeakPolarHBondContact O-CG2 3.24Å; T354-V358 PolarHBondContact O-N 3.06Å; T354-L373 HydrophobicContact CG2-CD1 3.4Å; T354-L373 VanDerWaalsContact CG2-CD1 3.4Å; T354-Y396 PolarHBondContact OG1-OH 2.8Å; T354-L401 HydrophobicContact CG2-CD2 3.98Å
355K91.3Very high91.2Very high52 Ų5247.7 Ų47.723%0.22625%0.25CS..Hα-helixtrans-56.5-49.6172.1179.1-164.3175.3-810111.1L221 L351 I352 V357 V358 E359 V365L221-K355 HydrophobicContact CD1-CD 3.97Å; L221-K355 HydrophobicContact CD1-CG 4.39Å; L221-K355 HydrophobicContact CD2-CD 4.35Å; L351-K355 WeakPolarHBondContact O-CB 3.22Å; L351-K355 PolarHBondContact O-N 3.23Å; I352-K355 WeakPolarHBondContact O-CB 2.66Å; I352-K355 PolarHBondContact O-N 3.05Å; K355-V357 VanDerWaalsContact C-N 3.3Å; K355-V357 PolarHBondContact O-N 3.28Å; K355-V358 PolarHBondContact O-N 2.78Å; K355-E359 WeakPolarHBondContact CE-OE1 3.4Å; K355-E359 IonicContact NZ-OE1 3.78Å; K355-E359 PolarHBondContact NZ-OE1 2.81Å; K355-E359 IonicContact NZ-OE2 3Å; K355-E359 PolarHBondContact NZ-OE2 3.04Å; K355-E359 WeakPolarHBondContact O-CG 3.45Å; K355-E359 PolarHBondContact O-N 3.11Å; K355-V365 HydrophobicContact CG-CB 4.2Å; K355-V365 HydrophobicContact CG-CG1 4.32Å; K355-V365 HydrophobicContact CG-CG2 4.03Å
356D90.9Very high91.2Very high65 Ų6546.2 Ų46.235%0.34824%0.24SC..Hα-helixtrans-64.6-35.6-178.5-66.8-11.1000112I352 E353 T354 K360I352-D356 PolarHBondContact O-N 3.35Å; E353-D356 PolarHBondContact O-N 2.89Å; T354-D356 PolarHBondContact O-N 2.83Å; D356-K360 WeakPolarHBondContact O-CB 3.48Å; D356-K360 VanDerWaalsContact O-CG 3.23Å; D356-K360 WeakPolarHBondContact O-CG 3.49Å; D356-K360 PolarHBondContact O-N 2.79Å
357V86.8Confident91.3Very high30 Ų3044.8 Ų44.818%0.18223%0.234CC..Hα-helixtrans-65.2-45.3174.1169.40000111.1E353 T354 K355 K360 L361 R395E353-V357 VanDerWaalsContact O-CG2 3.28Å; E353-V357 WeakPolarHBondContact O-CG2 3.24Å; E353-V357 PolarHBondContact O-N 2.9Å; T354-V357 PolarHBondContact O-N 3.2Å; K355-V357 VanDerWaalsContact C-N 3.3Å; K355-V357 PolarHBondContact O-N 3.28Å; V357-K360 PolarHBondContact O-N 3.03Å; V357-L361 WeakPolarHBondContact O-CG 3.34Å; V357-L361 PolarHBondContact O-N 3.09Å; V357-R395 VanDerWaalsContact CG2-NH1 3.32Å
358V88.3Confident91.3Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-62.4-43.7177.2171.20000110.8T354 K355 K360 L361 L363 V365 I375 V392T354-V358 VanDerWaalsContact O-CG2 3.32Å; T354-V358 WeakPolarHBondContact O-CG2 3.24Å; T354-V358 PolarHBondContact O-N 3.06Å; K355-V358 PolarHBondContact O-N 2.78Å; V358-K360 VanDerWaalsContact C-N 3.34Å; V358-K360 PolarHBondContact O-N 2.92Å; V358-L361 WeakPolarHBondContact O-CB 3.16Å; V358-L361 PolarHBondContact O-N 3.11Å; V358-L361 VanDerWaalsContact O-N 3.11Å; V358-L363 HydrophobicContact CG1-CB 3.75Å; V358-L363 HydrophobicContact CG1-CD1 4.34Å; V358-L363 PolarHBondContact O-N 3.06Å; V358-V365 HydrophobicContact CB-CG2 3.93Å; V358-V365 HydrophobicContact CG1-CG2 3.59Å; V358-I375 HydrophobicContact CB-CD1 4.43Å; V358-I375 HydrophobicContact CG1-CD1 3.66Å; V358-I375 HydrophobicContact CG1-CG1 3.94Å; V358-I375 HydrophobicContact CG1-CG2 3.92Å; V358-I375 HydrophobicContact CG2-CD1 3.83Å; V358-V392 HydrophobicContact CG2-CG1 3.91Å
359E90.6Very high91.2Very high73 Ų7343.9 Ų43.934%0.34123%0.232SC..Hα-helixtrans-65.1-35.9178-72.1177.5160.400112.3K355 L361 G362 L363 V365K355-E359 WeakPolarHBondContact CE-OE1 3.4Å; K355-E359 IonicContact NZ-OE1 3.78Å; K355-E359 PolarHBondContact NZ-OE1 2.81Å; K355-E359 IonicContact NZ-OE2 3Å; K355-E359 PolarHBondContact NZ-OE2 3.04Å; K355-E359 WeakPolarHBondContact O-CG 3.45Å; K355-E359 PolarHBondContact O-N 3.11Å; E359-L361 PolarHBondContact O-N 3.21Å; E359-G362 PolarHBondContact O-N 3.39Å; E359-L363 WeakPolarHBondContact CA-O 3.41Å; E359-V365 HydrophobicContact CG-CG2 4.32Å
360K88.5Confident91Very high173 Ų17342.1 Ų42.175%0.75223%0.225SC*.Hα-helixtrans-65.5-22.1173-76.9170.4-175.9173.40114D356 V357 V358 G362D356-K360 WeakPolarHBondContact O-CB 3.48Å; D356-K360 VanDerWaalsContact O-CG 3.23Å; D356-K360 WeakPolarHBondContact O-CG 3.49Å; D356-K360 PolarHBondContact O-N 2.79Å; V357-K360 PolarHBondContact O-N 3.03Å; V358-K360 VanDerWaalsContact C-N 3.34Å; V358-K360 PolarHBondContact O-N 2.92Å; K360-G362 PolarHBondContact O-N 3.25Å
361L86.2Confident90.9Very high102 Ų10244.7 Ų44.753%0.53424%0.239SC..THydrogen-bonded Turntrans-80.84172.3-65.4171.6000112.7V357 V358 E359 L363 V392V357-L361 WeakPolarHBondContact O-CG 3.34Å; V357-L361 PolarHBondContact O-N 3.09Å; V358-L361 WeakPolarHBondContact O-CB 3.16Å; V358-L361 PolarHBondContact O-N 3.11Å; V358-L361 VanDerWaalsContact O-N 3.11Å; E359-L361 PolarHBondContact O-N 3.21Å; L361-L363 VanDerWaalsContact C-N 3.3Å; L361-L363 HydrophobicContact CB-CD1 4.43Å; L361-L363 HydrophobicContact CB-CG 4.43Å; L361-V392 HydrophobicContact CD1-CG2 4.3Å
362G87.9Confident91Very high71 Ų7145.6 Ų45.673%0.73225%0.245SC*.THydrogen-bonded Turntrans78.313.7-177.800000113.8E359 K360E359-G362 PolarHBondContact O-N 3.39Å; K360-G362 PolarHBondContact O-N 3.25Å
363L90.6Very high91Very high26 Ų2642 Ų4214%0.13623%0.227CC..PPolyproline II helixtrans-99.3146.1179.2-60.1173.3000111.1V358 E359 L361 I375 L388V358-L363 HydrophobicContact CG1-CB 3.75Å; V358-L363 HydrophobicContact CG1-CD1 4.34Å; V358-L363 PolarHBondContact O-N 3.06Å; E359-L363 WeakPolarHBondContact CA-O 3.41Å; L361-L363 VanDerWaalsContact C-N 3.3Å; L361-L363 HydrophobicContact CB-CD1 4.43Å; L361-L363 HydrophobicContact CB-CG 4.43Å; L363-I375 HydrophobicContact CB-CG2 3.75Å; L363-I375 HydrophobicContact CD1-CG2 4.16Å; L363-I375 HydrophobicContact CG-CG2 4.45Å; L363-L388 HydrophobicContact CD1-CD1 3.97Å; L363-L388 HydrophobicContact CD1-CD2 3.75Å; L363-L388 HydrophobicContact CD1-CG 3.95Å; L363-L388 HydrophobicContact CD2-CD1 4.47Å; L363-L388 HydrophobicContact CD2-CD2 3.77Å; L363-L388 HydrophobicContact CG-CD2 4.42Å
364E93.2Very high91.3Very high65 Ų6538.3 Ų38.330%0.30421%0.21SC..EExtended strand (participates in β ladder)trans-97.2117.7-177.6-172.2-174.8-175.900111.4K224 I375 K376K224-E364 HydrophobicContact CD-CG 4.4Å; K224-E364 WeakPolarHBondContact CD-OE1 3.46Å; K224-E364 WeakPolarHBondContact CE-OE1 3.31Å; K224-E364 IonicContact NZ-OE1 2.98Å; K224-E364 PolarHBondContact NZ-OE1 2.64Å; E364-I375 WeakPolarHBondContact O-CA 3.37Å; E364-K376 HydrophobicContact CB-CB 4.27Å; E364-K376 PolarHBondContact O-N 3.45Å; E364-K376 WeakPolarHBondContact OE2-CD 3.31Å; E364-K376 IonicContact OE2-NZ 3.76Å
365V94.2Very high91.6Very high6 Ų638.1 Ų38.14%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-79.1120.8169.3-178.10000109.3L221 K224 K355 V358 E359 L373L221-V365 HydrophobicContact CD1-CG1 4.26Å; K224-V365 WeakPolarHBondContact CE-O 3.48Å; K224-V365 PolarHBondContact NZ-O 3.09Å; K355-V365 HydrophobicContact CG-CB 4.2Å; K355-V365 HydrophobicContact CG-CG1 4.32Å; K355-V365 HydrophobicContact CG-CG2 4.03Å; V358-V365 HydrophobicContact CB-CG2 3.93Å; V358-V365 HydrophobicContact CG1-CG2 3.59Å; E359-V365 HydrophobicContact CG-CG2 4.32Å; V365-L373 HydrophobicContact CG1-CD2 3.97Å
366V95.9Very high91.7Very high1 Ų138.1 Ų38.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-96.8-29.3-179-620000112.8K224 Y228 I232 M374 K376 L410K224-V366 HydrophobicContact CB-CB 4.47Å; K224-V366 PolarHBondContact N-O 2.84Å; Y228-V366 HydrophobicContact CD1-CG1 4.49Å; Y228-V366 HydrophobicContact CE1-CB 4.41Å; Y228-V366 HydrophobicContact CE1-CG1 3.6Å; Y228-V366 HydrophobicContact CE2-CB 4.44Å; Y228-V366 HydrophobicContact CE2-CG1 4.48Å; Y228-V366 WeakPolarHBondContact OH-CG1 3.34Å; I232-V366 HydrophobicContact CG2-CG2 4.39Å; V366-M374 HydrophobicContact CG2-CB 3.66Å; V366-M374 WeakPolarHBondContact CG2-O 3.37Å; V366-M374 PolarHBondContact N-O 3.17Å; V366-K376 HydrophobicContact CG1-CB 3.81Å; V366-L410 HydrophobicContact CG2-CD2 4.46Å
367Y96.4Very high91.8Very high2 Ų235.9 Ų35.91%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-158.9162.1177.6-176.8-121.6000111.6V220 P223 D369 M374 L412 K416V220-Y367 HydrophobicContact CG1-CE2 3.84Å; V220-Y367 WeakPolarHBondContact CG1-OH 3.42Å; P223-Y367 HydrophobicContact CB-CD2 3.71Å; P223-Y367 HydrophobicContact CB-CE2 4.3Å; P223-Y367 HydrophobicContact CB-CG 4.44Å; P223-Y367 HydrophobicContact CG-CD2 4.47Å; Y367-D369 HydrophobicContact CE1-CB 3.92Å; Y367-M374 HydrophobicContact CD1-CE 3.87Å; Y367-M374 HydrophobicContact CD1-CG 4.45Å; Y367-M374 HydrophobicContact CD1-SD 3.76Å; Y367-M374 HydrophobicContact CE1-CE 4.43Å; Y367-M374 HydrophobicContact CG-SD 4.37Å; Y367-M374 PolarHBondContact O-N 2.93Å; Y367-L412 HydrophobicContact CG-CD1 4.31Å; Y367-L412 HydrophobicContact CG-CD2 4.42Å; Y367-K416 PolarHBondContact OH-N 3.43Å
368G93.3Very high91.9Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-160.8139.3168.700000112L221 S372L221-G368 PolarHBondContact N-O 3.28Å; G368-S372 CarbonylContact C-O 3.52Å; G368-S372 WeakPolarHBondContact CA-O 3.48Å
369D92.9Very high92.1Very high29 Ų2939.4 Ų39.416%0.15522%0.216CC..EExtended strand (participates in β ladder)trans-133107.1-179.9-175.33.8000110V220 Y367 D371 S372 K416V220-D369 WeakPolarHBondContact CG2-OD1 3.45Å; Y367-D369 HydrophobicContact CE1-CB 3.92Å; D369-D371 PolarHBondContact O-N 3.01Å; D369-S372 PolarHBondContact N-O 2.71Å; D369-S372 PolarHBondContact O-N 2.78Å; D369-S372 PolarHBondContact O-OG 3.2Å; D369-K416 IonicContact OD1-NZ 3.54Å; D369-K416 PolarHBondContact OD1-NZ 3.47Å; D369-K416 WeakPolarHBondContact OD2-CE 3.46Å; D369-K416 WeakPolarHBondContact OD2-CG 3.39Å; D369-K416 IonicContact OD2-NZ 2.89Å; D369-K416 PolarHBondContact OD2-NZ 3.28Å
370T89.9Confident92.1Very high30 Ų3041.3 Ų41.318%0.18423%0.229CC..THydrogen-bonded Turntrans60.1-70.9173.4-50.30000115.2L219 L240L219-T370 WeakPolarHBondContact O-CA 3.42Å; L219-T370 PolarHBondContact O-N 3.3Å; L240-T370 HydrophobicContact CD2-CG2 4.49Å; L240-T370 WeakPolarHBondContact CD2-O 3.49Å
371D90.2Very high92.3Very high54 Ų5436.9 Ų36.929%0.28921%0.213SC..THydrogen-bonded Turntrans-119.5-5.2-176.343.4-4.2000113.7D236 F237 L240 D369D236-D371 WeakPolarHBondContact CA-O 3.2Å; D236-D371 VanDerWaalsContact OD1-C 3.3Å; F237-D371 HydrophobicContact CB-CB 4.15Å; F237-D371 VanDerWaalsContact CD2-O 3.25Å; F237-D371 WeakPolarHBondContact CD2-O 3.26Å; F237-D371 PolarHBondContact N-O 2.66Å; L240-D371 HydrophobicContact CB-CB 3.81Å; L240-D371 HydrophobicContact CD2-CB 3.8Å; L240-D371 HydrophobicContact CG-CB 4.34Å; D369-D371 PolarHBondContact O-N 3.01Å
372S92.5Very high92.5Very high19 Ų1932.7 Ų32.713%0.13319%0.192CC..EExtended strand (participates in β ladder)trans-114.7149.3-177.558.70000113.6L235 G368 D369L235-S372 CarbonylContact O-C 3.53Å; L235-S372 VanDerWaalsContact O-CA 3.24Å; L235-S372 WeakPolarHBondContact O-CA 3.45Å; G368-S372 CarbonylContact C-O 3.52Å; G368-S372 WeakPolarHBondContact CA-O 3.48Å; D369-S372 PolarHBondContact N-O 2.71Å; D369-S372 PolarHBondContact O-N 2.78Å; D369-S372 PolarHBondContact O-OG 3.2Å
373L93.4Very high92.5Very high1 Ų134.8 Ų34.81%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-130.5136.1170.8-70.7174.9000110.5L221 L235 L351 T354 V365L221-L373 HydrophobicContact CD1-CD2 3.83Å; L235-L373 PolarHBondContact N-O 2.72Å; L235-L373 PolarHBondContact O-N 3.43Å; L351-L373 HydrophobicContact CD1-CD1 4.45Å; L351-L373 HydrophobicContact CD1-CD2 3.64Å; L351-L373 HydrophobicContact CD1-CG 3.83Å; L351-L373 HydrophobicContact CG-CD2 4.4Å; T354-L373 HydrophobicContact CG2-CD1 3.4Å; T354-L373 VanDerWaalsContact CG2-CD1 3.4Å; V365-L373 HydrophobicContact CG1-CD2 3.97Å
374M95.6Very high92.4Very high1 Ų138.6 Ų38.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-107.4123.8172.7-65.9-178.8-174.200109.4I232 L233 L234 V366 Y367 Y407 L410 Y418I232-M374 HydrophobicContact CG2-CB 3.9Å; I232-M374 HydrophobicContact CG2-CG 4.49Å; L233-M374 WeakPolarHBondContact O-CA 3.17Å; L234-M374 HydrophobicContact CD1-CE 4.11Å; L234-M374 HydrophobicContact CD1-CG 3.72Å; V366-M374 HydrophobicContact CG2-CB 3.66Å; V366-M374 WeakPolarHBondContact CG2-O 3.37Å; V366-M374 PolarHBondContact N-O 3.17Å; Y367-M374 HydrophobicContact CD1-CE 3.87Å; Y367-M374 HydrophobicContact CD1-CG 4.45Å; Y367-M374 HydrophobicContact CD1-SD 3.76Å; Y367-M374 HydrophobicContact CE1-CE 4.43Å; Y367-M374 HydrophobicContact CG-SD 4.37Å; Y367-M374 PolarHBondContact O-N 2.93Å; M374-Y407 HydrophobicContact CE-CE2 4.07Å; M374-L410 HydrophobicContact SD-CD2 4.04Å; M374-Y418 HydrophobicContact CE-CD1 4.36Å; M374-Y418 HydrophobicContact CE-CD2 4.41Å; M374-Y418 HydrophobicContact CE-CE1 3.87Å; M374-Y418 HydrophobicContact CE-CE2 3.9Å
375I94.5Very high92.3Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-120.5125.6-172.2-52.5173.2000109.3I232 L233 L235 V358 L363 E364 T377I232-I375 CarbonylContact C-O 3.48Å; I232-I375 WeakPolarHBondContact CA-O 3.48Å; L233-I375 HydrophobicContact CB-CB 4.36Å; L233-I375 PolarHBondContact N-O 2.91Å; L233-I375 PolarHBondContact O-N 2.77Å; L235-I375 HydrophobicContact CD1-CD1 3.53Å; L235-I375 HydrophobicContact CG-CD1 4.1Å; V358-I375 HydrophobicContact CB-CD1 4.43Å; V358-I375 HydrophobicContact CG1-CD1 3.66Å; V358-I375 HydrophobicContact CG1-CG1 3.94Å; V358-I375 HydrophobicContact CG1-CG2 3.92Å; V358-I375 HydrophobicContact CG2-CD1 3.83Å; L363-I375 HydrophobicContact CB-CG2 3.75Å; L363-I375 HydrophobicContact CD1-CG2 4.16Å; L363-I375 HydrophobicContact CG-CG2 4.45Å; E364-I375 WeakPolarHBondContact O-CA 3.37Å; I375-T377 PolarHBondContact O-N 2.77Å
376K94.9Very high92Very high53 Ų5337.5 Ų37.523%0.2320%0.199CC..EExtended strand (participates in β ladder)trans-77.6119172.5-173.1-170.4-169.7-170.20109.3Y228 I232 E364 V366 N378Y228-K376 HydrophobicContact CD1-CD 4.18Å; Y228-K376 HydrophobicContact CD1-CG 4.35Å; Y228-K376 HydrophobicContact CE1-CD 4.07Å; I232-K376 HydrophobicContact CD1-CB 3.94Å; I232-K376 HydrophobicContact CD1-CG 4.08Å; E364-K376 HydrophobicContact CB-CB 4.27Å; E364-K376 PolarHBondContact O-N 3.45Å; E364-K376 WeakPolarHBondContact OE2-CD 3.31Å; E364-K376 IonicContact OE2-NZ 3.76Å; V366-K376 HydrophobicContact CG1-CB 3.81Å; K376-N378 WeakPolarHBondContact CE-OD1 3.28Å
377T91.4Very high91.5Very high18 Ų1840 Ų4011%0.1122%0.216CC..  trans-93.5-18.3-176.366.80000113.2Y231 L233 I375 S379 V385 L388Y231-T377 PolarHBondContact O-N 2.7Å; Y231-T377 PolarHBondContact O-OG1 3.46Å; L233-T377 HydrophobicContact CB-CG2 3.79Å; I375-T377 PolarHBondContact O-N 2.77Å; T377-S379 PolarHBondContact O-N 3.04Å; T377-S379 VanDerWaalsContact O-N 3.15Å; T377-S379 PolarHBondContact OG1-N 2.84Å; T377-V385 HydrophobicContact CG2-CG1 4.02Å; T377-V385 HydrophobicContact CG2-CG2 3.94Å; T377-V385 WeakPolarHBondContact OG1-CG2 3.25Å; T377-L388 HydrophobicContact CG2-CD2 3.99Å
378N90.5Very high91Very high88 Ų8841.5 Ų41.547%0.47122%0.224SC..  trans59.113.1-172.4-65.3-41.8000115.2K230 K376K230-N378 HydrophobicContact CD-CB 4.41Å; K230-N378 WeakPolarHBondContact CD-O 3.45Å; K230-N378 PolarHBondContact NZ-O 3.44Å; K376-N378 WeakPolarHBondContact CE-OD1 3.28Å
379S91.6Very high90.3Very high16 Ų1641.7 Ų41.711%0.11223%0.226CC..  trans-112.6151.7178.8-175.50000111.8Y231 T377 D381 E384Y231-S379 WeakPolarHBondContact CB-O 3.28Å; Y231-S379 WeakPolarHBondContact CD2-O 3.04Å; Y231-S379 PolarHBondContact N-O 2.91Å; T377-S379 PolarHBondContact O-N 3.04Å; T377-S379 VanDerWaalsContact O-N 3.15Å; T377-S379 PolarHBondContact OG1-N 2.84Å; S379-D381 PolarHBondContact OG-N 3.22Å; S379-E384 VanDerWaalsContact CB-OE2 3.25Å; S379-E384 WeakPolarHBondContact CB-OE2 3.29Å; S379-E384 PolarHBondContact OG-OE2 3.33Å
380N90.8Very high89.7Confident112 Ų11248.1 Ų48.160%0.59925%0.252SS*.  trans-1096.9170.8-67.1-21.4000111.5Y231Y231-N380 WeakPolarHBondContact CE2-O 3.42Å
381D92Very high88.9Confident80 Ų8053.3 Ų53.343%0.42827%0.272SS..  trans-95.2119.9173.5-179.77.7000109.8S379 D383 E384 V385S379-D381 PolarHBondContact OG-N 3.22Å; D381-D383 PolarHBondContact OD1-N 3.37Å; D381-E384 HydrophobicContact CB-CB 4Å; D381-V385 WeakPolarHBondContact O-CG2 3.49Å; D381-V385 PolarHBondContact O-N 3.08Å
382L90.6Very high88Confident15 Ų1551.4 Ų51.48%0.07926%0.263CS..Hα-helixtrans-70.4-36.7-177.5-175.962.6000111.8Y231 V385 L386 V406 M423 W431Y231-L382 HydrophobicContact CE2-CB 4.12Å; L382-V385 PolarHBondContact O-N 3.19Å; L382-L386 HydrophobicContact CD1-CD1 4.48Å; L382-L386 HydrophobicContact CD1-CG 4.38Å; L382-L386 HydrophobicContact CG-CD1 4.08Å; L382-L386 HydrophobicContact CG-CG 4.4Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 2.92Å; L382-V406 HydrophobicContact CD1-CB 3.92Å; L382-V406 HydrophobicContact CD1-CG1 3.84Å; L382-V406 HydrophobicContact CD1-CG2 3.94Å; L382-M423 HydrophobicContact CD1-CG 4.34Å; L382-M423 HydrophobicContact CD2-CE 3.8Å; L382-W431 HydrophobicContact CD2-CD2 3.41Å; L382-W431 VanDerWaalsContact CD2-CD2 3.41Å; L382-W431 HydrophobicContact CD2-CE3 3.91Å; L382-W431 HydrophobicContact CD2-CG 3.71Å; L382-W431 HydrophobicContact CD2-CH2 4.21Å; L382-W431 HydrophobicContact CD2-CZ2 3.77Å; L382-W431 HydrophobicContact CD2-CZ3 4.27Å
383D88Confident86.8Confident115 Ų11553.4 Ų53.462%0.61527%0.272SS*.Hα-helixtrans-69.7-40.9-176.7-74-31.7000110.9D381 V385 L386 S387D381-D383 PolarHBondContact OD1-N 3.37Å; D383-V385 VanDerWaalsContact C-N 3.34Å; D383-V385 PolarHBondContact O-N 2.98Å; D383-L386 PolarHBondContact O-N 2.86Å; D383-S387 WeakPolarHBondContact O-CB 3.41Å; D383-S387 PolarHBondContact O-N 3.38Å
384E89.6Confident85.5Confident106 Ų10662.2 Ų62.250%0.49531%0.31SS..Hα-helixtrans-56.8-48.1171.2-172-172.9-174.800111.1S379 D381 S387 L388S379-E384 VanDerWaalsContact CB-OE2 3.25Å; S379-E384 WeakPolarHBondContact CB-OE2 3.29Å; S379-E384 PolarHBondContact OG-OE2 3.33Å; D381-E384 HydrophobicContact CB-CB 4Å; E384-S387 WeakPolarHBondContact O-CB 3.43Å; E384-S387 PolarHBondContact O-N 3.01Å; E384-S387 PolarHBondContact O-OG 3.43Å; E384-L388 PolarHBondContact O-N 3.31Å
385V90Very high84.1Confident1 Ų170.3 Ų70.31%0.00634%0.341CS..Hα-helixtrans-63.4-43.6-179169.70000112.2Y231 L233 T377 D381 L382 D383 S387 L388 G389 V406Y231-V385 HydrophobicContact CD2-CG2 4.12Å; Y231-V385 HydrophobicContact CG-CG2 4.43Å; L233-V385 HydrophobicContact CB-CG1 4.1Å; L233-V385 HydrophobicContact CD1-CG1 3.99Å; T377-V385 HydrophobicContact CG2-CG1 4.02Å; T377-V385 HydrophobicContact CG2-CG2 3.94Å; T377-V385 WeakPolarHBondContact OG1-CG2 3.25Å; D381-V385 WeakPolarHBondContact O-CG2 3.49Å; D381-V385 PolarHBondContact O-N 3.08Å; L382-V385 PolarHBondContact O-N 3.19Å; D383-V385 VanDerWaalsContact C-N 3.34Å; D383-V385 PolarHBondContact O-N 2.98Å; V385-S387 VanDerWaalsContact C-N 3.31Å; V385-S387 PolarHBondContact O-N 3.17Å; V385-L388 WeakPolarHBondContact O-CB 3.22Å; V385-L388 PolarHBondContact O-N 2.84Å; V385-G389 PolarHBondContact O-N 2.81Å; V385-V406 HydrophobicContact CG1-CG1 3.9Å; V385-V406 HydrophobicContact CG1-CG2 3.78Å
386L88Confident82.5Confident46 Ų4673.2 Ų73.224%0.24135%0.352CS..Hα-helixtrans-65.2-36.1176-70.2173.7000111.7L382 D383 L388 G389 V403 V406 W431L382-L386 HydrophobicContact CD1-CD1 4.48Å; L382-L386 HydrophobicContact CD1-CG 4.38Å; L382-L386 HydrophobicContact CG-CD1 4.08Å; L382-L386 HydrophobicContact CG-CG 4.4Å; L382-L386 WeakPolarHBondContact O-CG 3.33Å; L382-L386 PolarHBondContact O-N 2.92Å; D383-L386 PolarHBondContact O-N 2.86Å; L386-L388 VanDerWaalsContact C-N 3.33Å; L386-G389 PolarHBondContact O-N 3.01Å; L386-V403 HydrophobicContact CD2-CG1 4.17Å; L386-V406 HydrophobicContact CD2-CG2 3.94Å; L386-W431 HydrophobicContact CD1-CH2 4.17Å; L386-W431 HydrophobicContact CD1-CZ2 3.85Å
387S85.8Confident80.9Confident53 Ų5379 Ų7937%0.37137%0.373SS..Hα-helixtrans-65.9-35.8175.286.90000112.3D383 E384 V385 K390 K391D383-S387 WeakPolarHBondContact O-CB 3.41Å; D383-S387 PolarHBondContact O-N 3.38Å; E384-S387 WeakPolarHBondContact O-CB 3.43Å; E384-S387 PolarHBondContact O-N 3.01Å; E384-S387 PolarHBondContact O-OG 3.43Å; V385-S387 VanDerWaalsContact C-N 3.31Å; V385-S387 PolarHBondContact O-N 3.17Å; S387-K390 PolarHBondContact O-N 2.93Å; S387-K391 PolarHBondContact O-N 3.25Å
388L84.7Confident79.6Confident35 Ų3581.4 Ų81.418%0.18338%0.384CS..Hα-helixtrans-64-42.2178.1-170.165.9000111.3L363 T377 E384 V385 L386 K390 K391L363-L388 HydrophobicContact CD1-CD1 3.97Å; L363-L388 HydrophobicContact CD1-CD2 3.75Å; L363-L388 HydrophobicContact CD1-CG 3.95Å; L363-L388 HydrophobicContact CD2-CD1 4.47Å; L363-L388 HydrophobicContact CD2-CD2 3.77Å; L363-L388 HydrophobicContact CG-CD2 4.42Å; T377-L388 HydrophobicContact CG2-CD2 3.99Å; E384-L388 PolarHBondContact O-N 3.31Å; V385-L388 WeakPolarHBondContact O-CB 3.22Å; V385-L388 PolarHBondContact O-N 2.84Å; L386-L388 VanDerWaalsContact C-N 3.33Å; L388-K390 VanDerWaalsContact C-N 3.29Å; L388-K390 PolarHBondContact O-N 3.08Å; L388-K391 WeakPolarHBondContact O-CB 3.25Å; L388-K391 PolarHBondContact O-N 2.84Å
389G80.3Confident78.7Confident3 Ų377.4 Ų77.43%0.03136%0.363CS..Hα-helixtrans-58.4-38.4177.100000113.5V385 L386 K391 V392V385-G389 PolarHBondContact O-N 2.81Å; L386-G389 PolarHBondContact O-N 3.01Å; G389-K391 VanDerWaalsContact C-N 3.3Å; G389-K391 PolarHBondContact O-N 3.43Å; G389-V392 PolarHBondContact O-N 3.35Å
390K78.6Confident78Confident164 Ų16479.9 Ų79.971%0.71337%0.373SS*.Hα-helixtrans-66.2-29.1176.3-66.2178.9-177.5173.60113.1S387 L388S387-K390 PolarHBondContact O-N 2.93Å; L388-K390 VanDerWaalsContact C-N 3.29Å; L388-K390 PolarHBondContact O-N 3.08Å
391K74.4Confident77.5Confident139 Ų13974.9 Ų74.960%0.60435%0.346SS*.Hα-helixtrans-70.3-32.1179.2-69176.6-178.9170.40112.2S387 L388 G389S387-K391 PolarHBondContact O-N 3.25Å; L388-K391 WeakPolarHBondContact O-CB 3.25Å; L388-K391 PolarHBondContact O-N 2.84Å; G389-K391 VanDerWaalsContact C-N 3.3Å; G389-K391 PolarHBondContact O-N 3.43Å
392V70.3Confident77.1Confident14 Ų1475.3 Ų75.39%0.08535%0.345CS..Hα-helixtrans-71.8-28.7-177.6-175.90000112.3L235 V358 L361 G389 K394 L401L235-V392 HydrophobicContact CD1-CB 4.02Å; L235-V392 HydrophobicContact CD1-CG1 3.89Å; L235-V392 HydrophobicContact CD1-CG2 4.21Å; V358-V392 HydrophobicContact CG2-CG1 3.91Å; L361-V392 HydrophobicContact CD1-CG2 4.3Å; G389-V392 PolarHBondContact O-N 3.35Å; V392-K394 PolarHBondContact O-N 3.47Å; V392-L401 HydrophobicContact CG1-CD2 3.81Å
393N67.6Low76.9Confident61 Ų6177.1 Ų77.133%0.32636%0.357SS..THydrogen-bonded Turntrans-75.513.6-169.9-161.714.4000116.1L401N393-L401 PolarHBondContact ND2-O 3.28Å; N393-L401 PolarHBondContact OD1-N 2.97Å; N393-L401 PolarHBondContact OD1-O 3.34Å
394K66Low76.8Confident187 Ų18776.8 Ų76.881%0.81336%0.355SS*.  trans-93.314-168-72.6-170.6176.9-177.10117V392V392-K394 PolarHBondContact O-N 3.47Å
395R65.4Low76.9Confident171 Ų17172.6 Ų72.665%0.64534%0.341SS*.SBendtrans-113.5-21.5-167.1-160.8164-178.8149.9-0.1117.7V357V357-R395 VanDerWaalsContact CG2-NH1 3.32Å
396Y61.3Low77.1Confident61 Ų6172.8 Ų72.824%0.23934%0.342CS..  trans-116.4153.5-173.5-57.1-74.6000112.6F237 T354 L399F237-Y396 HydrophobicContact CE1-CD2 4.38Å; F237-Y396 HydrophobicContact CE1-CE2 4.37Å; F237-Y396 HydrophobicContact CZ-CE2 4.36Å; T354-Y396 PolarHBondContact OG1-OH 2.8Å; Y396-L399 WeakPolarHBondContact CB-O 3.47Å; Y396-L399 HydrophobicContact CD1-CD1 4.5Å; Y396-L399 HydrophobicContact CD2-CB 4.35Å; Y396-L399 HydrophobicContact CG-CB 4.02Å
397R61.3Low77.5Confident175 Ų17570.9 Ų70.966%0.6633%0.331SS*.SBendtrans-80.3-52.2-176.7-176.9-178.560.3168.1-2.6112.8E247E247-R397 IonicContact OE1-CZ 2.95Å; E247-R397 IonicContact OE1-NE 3.96Å; E247-R397 PolarHBondContact OE1-NE 3.29Å; E247-R397 VanDerWaalsContact OE1-NE 3.09Å; E247-R397 IonicContact OE1-NH2 2.94Å; E247-R397 PolarHBondContact OE1-NH2 2.96Å
398L65Low77.9Confident68 Ų6871 Ų7136%0.35633%0.325SS..SBendtrans-113.9-15.5179.6-56.7173.3000113.3Q246 E247 E400Q246-L398 HydrophobicContact CB-CD1 4.31Å; E247-L398 VanDerWaalsContact OE2-CB 3.24Å; E247-L398 WeakPolarHBondContact OE2-CB 3.43Å; E247-L398 PolarHBondContact OE2-N 3.26Å; L398-E400 PolarHBondContact O-N 2.91Å
399L72.1Confident78.4Confident3 Ų370.3 Ų70.32%0.01632%0.321CS..  trans-82.790.4174.6-73.5124.9000109.9F237 L240 I244 E247 I350 Y396F237-L399 HydrophobicContact CD1-CB 4.27Å; F237-L399 HydrophobicContact CD1-CD2 4.09Å; F237-L399 HydrophobicContact CE1-CB 4.2Å; F237-L399 HydrophobicContact CE1-CD2 4.32Å; L240-L399 HydrophobicContact CD1-CD2 3.68Å; I244-L399 HydrophobicContact CG1-CD2 4.22Å; E247-L399 HydrophobicContact CB-CD1 4.16Å; E247-L399 HydrophobicContact CG-CD1 3.94Å; I350-L399 HydrophobicContact CD1-CD1 3.97Å; I350-L399 HydrophobicContact CD1-CD2 3.93Å; Y396-L399 WeakPolarHBondContact CB-O 3.47Å; Y396-L399 HydrophobicContact CD1-CD1 4.5Å; Y396-L399 HydrophobicContact CD2-CB 4.35Å; Y396-L399 HydrophobicContact CG-CB 4.02Å
400E75.4Confident79.2Confident68 Ų6870.2 Ų70.232%0.31832%0.319SS..  trans-80.4118.9174-68.1160.8-167.200109N238 R291 L398N238-E400 PolarHBondContact N-O 3.44Å; R291-E400 IonicContact CZ-OE1 3.27Å; R291-E400 IonicContact NH2-OE1 2.74Å; R291-E400 PolarHBondContact NH2-OE1 3.09Å; R291-E400 IonicContact NH2-OE2 3.09Å; R291-E400 PolarHBondContact NH2-OE2 3.18Å; L398-E400 PolarHBondContact O-N 2.91Å
401L81.8Confident80Confident7 Ų762.4 Ų62.44%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-93.1108.6170.8-174.470.6000107.9L235 F237 T354 V392 N393L235-L401 HydrophobicContact CB-CD1 3.91Å; L235-L401 HydrophobicContact CB-CD2 4.01Å; L235-L401 HydrophobicContact CB-CG 3.9Å; L235-L401 HydrophobicContact CD1-CD2 3.65Å; L235-L401 HydrophobicContact CD1-CG 4.3Å; L235-L401 HydrophobicContact CG-CD2 4.4Å; F237-L401 HydrophobicContact CD1-CB 4.28Å; F237-L401 HydrophobicContact CD1-CD1 3.98Å; F237-L401 HydrophobicContact CD2-CD1 3.94Å; F237-L401 HydrophobicContact CE1-CB 4.04Å; F237-L401 HydrophobicContact CE1-CD1 3.95Å; F237-L401 HydrophobicContact CE2-CD1 3.89Å; F237-L401 HydrophobicContact CG-CD1 3.98Å; F237-L401 HydrophobicContact CZ-CD1 3.9Å; T354-L401 HydrophobicContact CG2-CD2 3.98Å; V392-L401 HydrophobicContact CG1-CD2 3.81Å; N393-L401 PolarHBondContact ND2-O 3.28Å; N393-L401 PolarHBondContact OD1-N 2.97Å; N393-L401 PolarHBondContact OD1-O 3.34Å
402E83.1Confident81Confident89 Ų8955.8 Ų55.842%0.41626%0.257SS..EExtended strand (participates in β ladder)trans-98.7154.9-178.4-74.5-173.5176.800111.4L235 D236 N238 D404L235-E402 WeakPolarHBondContact CA-O 3.4Å; D236-E402 PolarHBondContact N-O 3.47Å; D236-E402 PolarHBondContact O-N 3.46Å; N238-E402 PolarHBondContact ND2-OE1 3.47Å; N238-E402 PolarHBondContact ND2-OE2 3.25Å; E402-D404 PolarHBondContact O-N 3.25Å
403V86.2Confident82.1Confident53 Ų5355.9 Ų55.932%0.32126%0.257SS..EExtended strand (participates in β ladder)trans-74.5107.5166.3179.90000106.8L233 L235 L386L233-V403 HydrophobicContact CD1-CG1 3.79Å; L233-V403 HydrophobicContact CD1-CG2 4.3Å; L235-V403 HydrophobicContact CD2-CB 4.35Å; L235-V403 HydrophobicContact CD2-CG2 3.76Å; L386-V403 HydrophobicContact CD2-CG1 4.17Å
404D86.2Confident83.1Confident108 Ų10856.8 Ų56.858%0.57826%0.258SS*.EExtended strand (participates in β ladder)trans-79.1-32.8176.6-170.355.3000110.6L234 D236 E402L234-D404 HydrophobicContact CD2-CB 4.05Å; L234-D404 VanDerWaalsContact CD2-OD2 3.31Å; L234-D404 WeakPolarHBondContact CD2-OD2 2.94Å; L234-D404 HydrophobicContact CG-CB 4.1Å; L234-D404 PolarHBondContact O-N 2.81Å; D236-D404 HydrophobicContact CB-CB 3.85Å; E402-D404 PolarHBondContact O-N 3.25Å
405G91Very high84.3Confident19 Ų1951.5 Ų51.520%0.19624%0.235CC..EExtended strand (participates in β ladder)trans177.9-179.3174.500000114.5L234L234-G405 WeakPolarHBondContact CB-O 3.43Å; L234-G405 PolarHBondContact N-O 3.32Å; L234-G405 PolarHBondContact O-N 2.92Å
406V94.6Very high85.5Confident5 Ų548.3 Ų48.33%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-127132.5173.5-178.40000108.4Y231 I232 L233 L382 V385 L386 M423Y231-V406 HydrophobicContact CD1-CG1 3.64Å; Y231-V406 HydrophobicContact CE1-CG1 4.39Å; Y231-V406 HydrophobicContact CG-CG1 3.9Å; I232-V406 WeakPolarHBondContact O-CA 3.28Å; L233-V406 HydrophobicContact CD1-CG2 4.16Å; L382-V406 HydrophobicContact CD1-CB 3.92Å; L382-V406 HydrophobicContact CD1-CG1 3.84Å; L382-V406 HydrophobicContact CD1-CG2 3.94Å; V385-V406 HydrophobicContact CG1-CG1 3.9Å; V385-V406 HydrophobicContact CG1-CG2 3.78Å; L386-V406 HydrophobicContact CD2-CG2 3.94Å; V406-M423 HydrophobicContact CB-CB 4.43Å; V406-M423 HydrophobicContact CB-CG 4.26Å; V406-M423 HydrophobicContact CG1-CG 4.4Å; V406-M423 WeakPolarHBondContact O-CG 3.49Å; V406-M423 PolarHBondContact O-N 3.18Å
407Y96.3Very high87Confident5 Ų548.1 Ų48.12%0.0223%0.226CC..EExtended strand (participates in β ladder)trans-100.3122173.2-60.6-48.3000110.4Y231 I232 L234 M374 L410 Y418 A420 L421 A422 E436Y231-Y407 CarbonylContact C-O 3.51Å; Y231-Y407 VanDerWaalsContact CA-O 3.28Å; Y231-Y407 WeakPolarHBondContact CA-O 3.49Å; I232-Y407 HydrophobicContact CB-CD2 4.47Å; I232-Y407 HydrophobicContact CG2-CD2 4.44Å; I232-Y407 PolarHBondContact N-O 3.46Å; I232-Y407 PolarHBondContact O-N 2.88Å; L234-Y407 HydrophobicContact CB-CE2 4.41Å; L234-Y407 HydrophobicContact CD2-CE2 4.19Å; M374-Y407 HydrophobicContact CE-CE2 4.07Å; Y407-L410 HydrophobicContact CD2-CD1 4.37Å; Y407-Y418 HydrophobicContact CE2-CE2 4.39Å; Y407-A420 HydrophobicContact CD1-CB 3.48Å; Y407-A420 VanDerWaalsContact CD1-CB 3.48Å; Y407-A420 HydrophobicContact CD2-CB 4.07Å; Y407-A420 HydrophobicContact CE1-CB 3.77Å; Y407-A420 HydrophobicContact CE2-CB 4.3Å; Y407-A420 HydrophobicContact CG-CB 3.65Å; Y407-L421 CarbonylContact C-O 3.21Å; Y407-L421 VanDerWaalsContact CA-O 3.25Å; Y407-L421 WeakPolarHBondContact CA-O 3.06Å; Y407-A422 HydrophobicContact CD1-CB 3.94Å; Y407-A422 HydrophobicContact CE1-CB 3.88Å; Y407-E436 VanDerWaalsContact CE1-OE2 3.24Å; Y407-E436 WeakPolarHBondContact CE1-OE2 3.38Å; Y407-E436 PolarHBondContact OH-OE2 3.2Å
408K94.9Very high88.6Confident56 Ų5641 Ų4124%0.24320%0.2CC..EExtended strand (participates in β ladder)trans-58.7-47.2171.1-172.4-175.4172.2-166.50111.9K230 Y231 L421 M423 V433 D465K230-K408 CarbonylContact C-O 3.6Å; Y231-K408 VanDerWaalsContact CD1-CA 3.44Å; Y231-K408 HydrophobicContact CD1-CB 4.27Å; Y231-K408 VanDerWaalsContact CE1-CA 3.5Å; Y231-K408 HydrophobicContact CE1-CB 3.79Å; Y231-K408 HydrophobicContact CE1-CG 3.88Å; K408-L421 HydrophobicContact CB-CB 4.07Å; K408-L421 PolarHBondContact N-O 2.95Å; K408-M423 HydrophobicContact CB-SD 4.07Å; K408-V433 HydrophobicContact CD-CG2 4.46Å; K408-D465 IonicContact NZ-OD1 3.56Å; K408-D465 PolarHBondContact NZ-OD1 3.45Å; K408-D465 VanDerWaalsContact NZ-OD1 3.13Å; K408-D465 IonicContact NZ-OD2 3.48Å; K408-D465 PolarHBondContact NZ-OD2 3.33Å
409K95.1Very high90.1Very high21 Ų2137.8 Ų37.89%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-138.4145.5178.4-71.7180165.6167.30109.4F227 Y228 A420 L421 L463 S464 D465F227-K409 HydrophobicContact CE2-CB 4.47Å; F227-K409 HydrophobicContact CZ-CD 4.16Å; Y228-K409 WeakPolarHBondContact O-CA 3.38Å; K409-A420 VanDerWaalsContact O-CA 3.23Å; K409-A420 WeakPolarHBondContact O-CA 3.43Å; K409-L421 HydrophobicContact CB-CD1 4.41Å; K409-L421 HydrophobicContact CD-CD1 4.47Å; K409-L421 PolarHBondContact O-N 3.29Å; K409-L463 HydrophobicContact CB-CD2 3.92Å; K409-S464 PolarHBondContact NZ-O 2.98Å; K409-D465 IonicContact NZ-OD1 2.66Å; K409-D465 PolarHBondContact NZ-OD1 3.26Å
410L96.2Very high91.3Very high0 Ų037.7 Ų37.70%018%0.182CC..EExtended strand (participates in β ladder)trans-137.6123.6179.1175.270.2000110.6Y228 I232 V366 M374 Y407 L412 Y418 A420Y228-L410 HydrophobicContact CD2-CB 4.4Å; Y228-L410 HydrophobicContact CD2-CD2 4.17Å; Y228-L410 HydrophobicContact CD2-CG 4.35Å; Y228-L410 PolarHBondContact N-O 2.89Å; Y228-L410 PolarHBondContact O-N 3.49Å; I232-L410 HydrophobicContact CB-CD2 4.45Å; I232-L410 HydrophobicContact CG1-CB 3.98Å; I232-L410 HydrophobicContact CG1-CD2 3.96Å; I232-L410 HydrophobicContact CG2-CD2 4.16Å; V366-L410 HydrophobicContact CG2-CD2 4.46Å; M374-L410 HydrophobicContact SD-CD2 4.04Å; Y407-L410 HydrophobicContact CD2-CD1 4.37Å; L410-L412 HydrophobicContact CD2-CB 4.33Å; L410-L412 HydrophobicContact CG-CB 4.28Å; L410-Y418 HydrophobicContact CD1-CD2 3.85Å; L410-Y418 HydrophobicContact CD1-CG 4.24Å; L410-A420 HydrophobicContact CD1-CB 3.88Å
411L96.4Very high92.3Very high0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-101.7107.6165.3178.368.2000108.8F227 L413 Y418 A419 I462 L582 P585F227-L411 HydrophobicContact CB-CD1 4.37Å; F227-L411 HydrophobicContact CD2-CB 4.48Å; F227-L411 HydrophobicContact CD2-CD1 4.5Å; L411-L413 HydrophobicContact CD1-CD2 3.91Å; L411-L413 HydrophobicContact CD2-CD2 4.04Å; L411-L413 HydrophobicContact CG-CD2 3.72Å; L411-L413 HydrophobicContact CG-CG 4.42Å; L411-Y418 CarbonylContact O-C 3.5Å; L411-Y418 WeakPolarHBondContact O-CA 3.44Å; L411-Y418 VanDerWaalsContact O-CB 3.32Å; L411-Y418 WeakPolarHBondContact O-CB 3.31Å; L411-A419 HydrophobicContact CB-CB 4.38Å; L411-A419 PolarHBondContact N-O 3.29Å; L411-A419 PolarHBondContact O-N 2.96Å; L411-I462 HydrophobicContact CD1-CG2 4.41Å; L411-I462 HydrophobicContact CD2-CD1 4.05Å; L411-I462 HydrophobicContact CD2-CG2 4.18Å; L411-L582 HydrophobicContact CD2-CD2 3.96Å; L411-P585 HydrophobicContact CD1-CG 4.24Å
412L95.8Very high92.9Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-108.1111.5-176.6-178.959.7000110.7P223 K224 K225 G226 Y228 Y367 L410P223-L412 HydrophobicContact CB-CD1 3.99Å; P223-L412 HydrophobicContact CB-CD2 3.7Å; P223-L412 HydrophobicContact CB-CG 3.79Å; K224-L412 WeakPolarHBondContact O-CD2 3.31Å; K225-L412 WeakPolarHBondContact CA-O 3.33Å; G226-L412 PolarHBondContact N-O 2.88Å; G226-L412 VanDerWaalsContact N-O 3.14Å; G226-L412 PolarHBondContact O-N 3.26Å; Y228-L412 HydrophobicContact CE2-CB 4.28Å; Y228-L412 HydrophobicContact CE2-CD2 4.47Å; Y367-L412 HydrophobicContact CG-CD1 4.31Å; Y367-L412 HydrophobicContact CG-CD2 4.42Å; L410-L412 HydrophobicContact CD2-CB 4.33Å; L410-L412 HydrophobicContact CG-CB 4.28Å
413L91.8Very high93.4Very high17 Ų1733 Ų339%0.08916%0.163CC..EExtended strand (participates in β ladder)trans-99.3-56.6-171.9-53.4-175.6000113.4K225 L411 K417 L440 R581 L582 P585K225-L413 WeakPolarHBondContact CD-O 3.44Å; K225-L413 VanDerWaalsContact CE-O 3.23Å; K225-L413 WeakPolarHBondContact CE-O 3.4Å; K225-L413 VanDerWaalsContact CG-O 3.26Å; K225-L413 WeakPolarHBondContact CG-O 3.12Å; L411-L413 HydrophobicContact CD1-CD2 3.91Å; L411-L413 HydrophobicContact CD2-CD2 4.04Å; L411-L413 HydrophobicContact CG-CD2 3.72Å; L411-L413 HydrophobicContact CG-CG 4.42Å; L413-K417 HydrophobicContact CB-CB 4.42Å; L413-K417 PolarHBondContact N-O 3.21Å; L413-L440 HydrophobicContact CD1-CD2 3.5Å; L413-L440 VanDerWaalsContact CD1-CD2 3.5Å; L413-L440 HydrophobicContact CG-CD2 4.25Å; L413-R581 WeakPolarHBondContact CD2-O 3.36Å; L413-L582 HydrophobicContact CD1-CD2 4.15Å; L413-P585 HydrophobicContact CD2-CG 3.44Å; L413-P585 VanDerWaalsContact CD2-CG 3.44Å
414K90.1Very high93.5Very high79 Ų7934.3 Ų34.334%0.34317%0.166SC..EExtended strand (participates in β ladder)trans-151173.4-175.6-68.5-168.8-179.8-175.40108.8K416 K417K414-K416 PolarHBondContact O-N 2.92Å; K414-K417 HydrophobicContact CB-CB 4.21Å; K414-K417 HydrophobicContact CB-CG 4.48Å; K414-K417 PolarHBondContact N-O 3.33Å; K414-K417 PolarHBondContact O-N 2.68Å
415K90.6Very high93.5Very high76 Ų7635.1 Ų35.133%0.3317%0.166SC..THydrogen-bonded Turntrans-50.3126.5174.2-67.3-173-179.5-167.60110.6V220 E222 P223 K417V220-K415 HydrophobicContact CB-CD 4.16Å; V220-K415 HydrophobicContact CG1-CB 4.05Å; V220-K415 HydrophobicContact CG1-CD 3.72Å; V220-K415 HydrophobicContact CG1-CG 3.86Å; V220-K415 PolarHBondContact O-NZ 2.95Å; E222-K415 WeakPolarHBondContact OE1-CE 3.5Å; E222-K415 IonicContact OE1-NZ 2.69Å; E222-K415 PolarHBondContact OE1-NZ 3.21Å; E222-K415 WeakPolarHBondContact OE2-CE 3.45Å; E222-K415 IonicContact OE2-NZ 3.2Å; P223-K415 HydrophobicContact CG-CG 4.4Å; K415-K417 PolarHBondContact O-N 2.87Å
416K89.9Confident93Very high105 Ų10535.5 Ų35.546%0.45717%0.171SC..THydrogen-bonded Turntrans57.919.5-178.1-47-176.7-176.4-93.90114.8Y367 D369 K414 K438 G439Y367-K416 PolarHBondContact OH-N 3.43Å; D369-K416 IonicContact OD1-NZ 3.54Å; D369-K416 PolarHBondContact OD1-NZ 3.47Å; D369-K416 WeakPolarHBondContact OD2-CE 3.46Å; D369-K416 WeakPolarHBondContact OD2-CG 3.39Å; D369-K416 IonicContact OD2-NZ 2.89Å; D369-K416 PolarHBondContact OD2-NZ 3.28Å; K414-K416 PolarHBondContact O-N 2.92Å; K416-K438 CarbonylContact O-C 3.43Å; K416-G439 WeakPolarHBondContact O-CA 3.14Å
417K93Very high92.2Very high56 Ų5641 Ų4124%0.24322%0.216CC..EExtended strand (participates in β ladder)trans-126.1100.1179.3-66.8-155.3174.5-163.40110.7L413 K414 K415 K438 G439 L440 D441L413-K417 HydrophobicContact CB-CB 4.42Å; L413-K417 PolarHBondContact N-O 3.21Å; K414-K417 HydrophobicContact CB-CB 4.21Å; K414-K417 HydrophobicContact CB-CG 4.48Å; K414-K417 PolarHBondContact N-O 3.33Å; K414-K417 PolarHBondContact O-N 2.68Å; K415-K417 PolarHBondContact O-N 2.87Å; K417-K438 CarbonylContact C-O 3.52Å; K417-K438 VanDerWaalsContact CA-O 3.27Å; K417-K438 WeakPolarHBondContact CA-O 3.49Å; K417-G439 VanDerWaalsContact CE-O 3.3Å; K417-G439 WeakPolarHBondContact CE-O 3.37Å; K417-G439 WeakPolarHBondContact CG-O 3.31Å; K417-L440 HydrophobicContact CB-CD2 4.24Å; K417-D441 IonicContact NZ-OD1 2.92Å; K417-D441 PolarHBondContact NZ-OD1 3.41Å
418Y95.4Very high91.4Very high27 Ų2746 Ų4611%0.10624%0.243CC..EExtended strand (participates in β ladder)trans-152156.817961-87.6000112.8M374 Y407 L410 L411 K438M374-Y418 HydrophobicContact CE-CD1 4.36Å; M374-Y418 HydrophobicContact CE-CD2 4.41Å; M374-Y418 HydrophobicContact CE-CE1 3.87Å; M374-Y418 HydrophobicContact CE-CE2 3.9Å; Y407-Y418 HydrophobicContact CE2-CE2 4.39Å; L410-Y418 HydrophobicContact CD1-CD2 3.85Å; L410-Y418 HydrophobicContact CD1-CG 4.24Å; L411-Y418 CarbonylContact O-C 3.5Å; L411-Y418 WeakPolarHBondContact O-CA 3.44Å; L411-Y418 VanDerWaalsContact O-CB 3.32Å; L411-Y418 WeakPolarHBondContact O-CB 3.31Å; Y418-K438 HydrophobicContact CD1-CB 3.99Å; Y418-K438 HydrophobicContact CD2-CB 4.3Å; Y418-K438 HydrophobicContact CD2-CG 4.42Å; Y418-K438 HydrophobicContact CE1-CB 3.66Å; Y418-K438 HydrophobicContact CE1-CG 4.03Å; Y418-K438 HydrophobicContact CE2-CB 4.02Å; Y418-K438 HydrophobicContact CE2-CG 3.75Å; Y418-K438 HydrophobicContact CG-CB 4.29Å; Y418-K438 PolarHBondContact N-O 2.99Å; Y418-K438 PolarHBondContact O-N 3.14Å
419A96.5Very high90.6Very high0 Ų044.9 Ų44.90%025%0.248CC..EExtended strand (participates in β ladder)trans-120.7139.6166.900000109L411 E436 L437 L440 V459 L463L411-A419 HydrophobicContact CB-CB 4.38Å; L411-A419 PolarHBondContact N-O 3.29Å; L411-A419 PolarHBondContact O-N 2.96Å; A419-E436 WeakPolarHBondContact CA-O 3.5Å; A419-L437 HydrophobicContact CB-CD2 3.67Å; A419-L440 HydrophobicContact CB-CD1 3.68Å; A419-V459 HydrophobicContact CB-CG1 3.93Å; A419-V459 HydrophobicContact CB-CG2 4.5Å; A419-L463 HydrophobicContact CB-CD1 4.24Å
420A96.6Very high90.1Very high0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-145.5160.2-179.400000112.5Y407 K409 L410 E436Y407-A420 HydrophobicContact CD1-CB 3.48Å; Y407-A420 VanDerWaalsContact CD1-CB 3.48Å; Y407-A420 HydrophobicContact CD2-CB 4.07Å; Y407-A420 HydrophobicContact CE1-CB 3.77Å; Y407-A420 HydrophobicContact CE2-CB 4.3Å; Y407-A420 HydrophobicContact CG-CB 3.65Å; K409-A420 VanDerWaalsContact O-CA 3.23Å; K409-A420 WeakPolarHBondContact O-CA 3.43Å; L410-A420 HydrophobicContact CD1-CB 3.88Å; A420-E436 PolarHBondContact N-O 3.34Å; A420-E436 PolarHBondContact O-N 2.64Å
421L96.2Very high89.7Confident25 Ų2554.9 Ų54.913%0.13129%0.291CS..EExtended strand (participates in β ladder)trans-103.399167.2-73.8-172.1000109.1Y407 K408 K409 V433 R435 L463Y407-L421 CarbonylContact C-O 3.21Å; Y407-L421 VanDerWaalsContact CA-O 3.25Å; Y407-L421 WeakPolarHBondContact CA-O 3.06Å; K408-L421 HydrophobicContact CB-CB 4.07Å; K408-L421 PolarHBondContact N-O 2.95Å; K409-L421 HydrophobicContact CB-CD1 4.41Å; K409-L421 HydrophobicContact CD-CD1 4.47Å; K409-L421 PolarHBondContact O-N 3.29Å; L421-V433 HydrophobicContact CB-CG1 3.52Å; L421-V433 HydrophobicContact CD1-CG1 4.05Å; L421-V433 HydrophobicContact CD2-CG1 3.89Å; L421-V433 HydrophobicContact CG-CG1 4Å; L421-R435 HydrophobicContact CD2-CB 4.36Å; L421-L463 HydrophobicContact CD1-CB 4.02Å; L421-L463 VanDerWaalsContact CD1-O 3.24Å; L421-L463 WeakPolarHBondContact CD1-O 3.31Å; L421-L463 HydrophobicContact CD2-CB 4.14Å; L421-L463 HydrophobicContact CD2-CD1 3.98Å; L421-L463 HydrophobicContact CG-CB 3.91Å; L421-L463 HydrophobicContact CG-CD1 4.06Å; L421-L463 HydrophobicContact CG-CD2 4.41Å; L421-L463 HydrophobicContact CG-CG 4.35Å
422A95.3Very high89.5Confident15 Ų1558.3 Ų58.312%0.12431%0.312CS..EExtended strand (participates in β ladder)trans-79.8135.3179.600000111.7Y407 V433 K434Y407-A422 HydrophobicContact CD1-CB 3.94Å; Y407-A422 HydrophobicContact CE1-CB 3.88Å; A422-V433 CarbonylContact O-C 3.58Å; A422-V433 WeakPolarHBondContact O-CA 3.46Å; A422-K434 PolarHBondContact N-O 3.07Å; A422-K434 PolarHBondContact O-N 3.27Å
423M94.1Very high89.3Confident25 Ų2561.7 Ų61.712%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-80.8120.1172.4-59-64.6-75.500109.1Y231 L382 V406 K408 W431 V433Y231-M423 HydrophobicContact CE1-CE 4.42Å; Y231-M423 HydrophobicContact CE1-CG 4.21Å; Y231-M423 HydrophobicContact CE1-SD 4.12Å; L382-M423 HydrophobicContact CD1-CG 4.34Å; L382-M423 HydrophobicContact CD2-CE 3.8Å; V406-M423 HydrophobicContact CB-CB 4.43Å; V406-M423 HydrophobicContact CB-CG 4.26Å; V406-M423 HydrophobicContact CG1-CG 4.4Å; V406-M423 WeakPolarHBondContact O-CG 3.49Å; V406-M423 PolarHBondContact O-N 3.18Å; K408-M423 HydrophobicContact CB-SD 4.07Å; M423-W431 HydrophobicContact CB-CE3 3.81Å; M423-W431 HydrophobicContact CB-CZ3 3.92Å; M423-W431 HydrophobicContact CE-CB 4.08Å; M423-V433 HydrophobicContact SD-CG2 4Å
424E88.6Confident89.3Confident82 Ų8266.1 Ų66.138%0.38335%0.351SS..EExtended strand (participates in β ladder)trans-116.6133.3174.4-71.8-169.6163.300110T432 K434E424-T432 PolarHBondContact N-O 3.27Å; E424-T432 PolarHBondContact O-N 3.43Å; E424-T432 PolarHBondContact O-OG1 2.95Å; E424-K434 HydrophobicContact CG-CB 4.36Å; E424-K434 HydrophobicContact CG-CD 4.39Å; E424-K434 WeakPolarHBondContact OE1-CD 3.49Å; E424-K434 IonicContact OE1-NZ 3.1Å; E424-K434 PolarHBondContact OE1-NZ 3.01Å; E424-K434 VanDerWaalsContact OE2-CD 3.28Å; E424-K434 WeakPolarHBondContact OE2-CD 3.46Å; E424-K434 IonicContact OE2-NZ 3.4Å; E424-K434 PolarHBondContact OE2-NZ 2.88Å
425Q85.4Confident89.5Confident124 Ų12467.3 Ų67.358%0.57935%0.353SS*.EExtended strand (participates in β ladder)trans-88.8121.1174.5-165.9172.43000109.8G429 W431Q425-G429 PolarHBondContact NE2-O 3.26Å; Q425-W431 HydrophobicContact CB-CD2 4.33Å; Q425-W431 HydrophobicContact CB-CE3 4.1Å; Q425-W431 HydrophobicContact CB-CH2 4.14Å; Q425-W431 HydrophobicContact CB-CZ2 4.33Å; Q425-W431 HydrophobicContact CB-CZ3 4.02Å
426G80.1Confident89.6Confident28 Ų2866.1 Ų66.129%0.28935%0.349SS..  trans-68.1166.4173.600000112.4D428 G429 Q430G426-D428 WeakPolarHBondContact CA-OD1 3.41Å; G426-D428 PolarHBondContact O-N 2.91Å; G426-G429 PolarHBondContact O-N 3.37Å; G426-Q430 PolarHBondContact N-O 3.49Å
427A77.5Confident89.8Confident120 Ų12062.7 Ų62.799%0.99234%0.335SS*.THydrogen-bonded Turntrans-63.4-21.4176.700000113.1G429A427-G429 VanDerWaalsContact C-N 3.3Å
428D80.7Confident89.7Confident110 Ų11063.9 Ų63.959%0.58834%0.34SS*.THydrogen-bonded Turntrans-81.9-4.4173.661.7-12.7000113.5G426 Q430G426-D428 WeakPolarHBondContact CA-OD1 3.41Å; G426-D428 PolarHBondContact O-N 2.91Å; D428-Q430 VanDerWaalsContact C-N 3.3Å; D428-Q430 PolarHBondContact OD1-N 2.82Å; D428-Q430 WeakPolarHBondContact OD2-CG 3.5Å
429G78.4Confident89.3Confident33 Ų3364.2 Ų64.234%0.3435%0.352SS..SBendtrans84.1-3.3-175.700000114.4Q425 G426 A427Q425-G429 PolarHBondContact NE2-O 3.26Å; G426-G429 PolarHBondContact O-N 3.37Å; A427-G429 VanDerWaalsContact C-N 3.3Å
430Q84.6Confident89Confident131 Ų13164.3 Ų64.361%0.61235%0.353SS*.  trans-76142.8178-66.2-169.19.600111.4G426 D428G426-Q430 PolarHBondContact N-O 3.49Å; D428-Q430 VanDerWaalsContact C-N 3.3Å; D428-Q430 PolarHBondContact OD1-N 2.82Å; D428-Q430 WeakPolarHBondContact OD2-CG 3.5Å
431W87.6Confident88.7Confident100 Ų10065 Ų6538%0.37936%0.357SS..EExtended strand (participates in β ladder)trans-86.4126.3176.3-7097.4000110.6L382 L386 M423 Q425L382-W431 HydrophobicContact CD2-CD2 3.41Å; L382-W431 VanDerWaalsContact CD2-CD2 3.41Å; L382-W431 HydrophobicContact CD2-CE3 3.91Å; L382-W431 HydrophobicContact CD2-CG 3.71Å; L382-W431 HydrophobicContact CD2-CH2 4.21Å; L382-W431 HydrophobicContact CD2-CZ2 3.77Å; L382-W431 HydrophobicContact CD2-CZ3 4.27Å; L386-W431 HydrophobicContact CD1-CH2 4.17Å; L386-W431 HydrophobicContact CD1-CZ2 3.85Å; M423-W431 HydrophobicContact CB-CE3 3.81Å; M423-W431 HydrophobicContact CB-CZ3 3.92Å; M423-W431 HydrophobicContact CE-CB 4.08Å; Q425-W431 HydrophobicContact CB-CD2 4.33Å; Q425-W431 HydrophobicContact CB-CE3 4.1Å; Q425-W431 HydrophobicContact CB-CH2 4.14Å; Q425-W431 HydrophobicContact CB-CZ2 4.33Å; Q425-W431 HydrophobicContact CB-CZ3 4.02Å
432T91.3Very high88.5Confident72 Ų7264.3 Ų64.344%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-115.8160173.161.70000109.6E424E424-T432 PolarHBondContact N-O 3.27Å; E424-T432 PolarHBondContact O-N 3.43Å; E424-T432 PolarHBondContact O-OG1 2.95Å
433V91.9Very high88Confident71 Ų7166.8 Ų66.843%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-110.9130.3179.8-172.80000109.3K408 L421 A422 M423K408-V433 HydrophobicContact CD-CG2 4.46Å; L421-V433 HydrophobicContact CB-CG1 3.52Å; L421-V433 HydrophobicContact CD1-CG1 4.05Å; L421-V433 HydrophobicContact CD2-CG1 3.89Å; L421-V433 HydrophobicContact CG-CG1 4Å; A422-V433 CarbonylContact O-C 3.58Å; A422-V433 WeakPolarHBondContact O-CA 3.46Å; M423-V433 HydrophobicContact SD-CG2 4Å
434K92.6Very high87.6Confident110 Ų11070.6 Ų70.648%0.47838%0.379SS..EExtended strand (participates in β ladder)trans-122.7133.2177.2-175.9179.1179.5175.80111.3A422 E424 E436A422-K434 PolarHBondContact N-O 3.07Å; A422-K434 PolarHBondContact O-N 3.27Å; E424-K434 HydrophobicContact CG-CB 4.36Å; E424-K434 HydrophobicContact CG-CD 4.39Å; E424-K434 WeakPolarHBondContact OE1-CD 3.49Å; E424-K434 IonicContact OE1-NZ 3.1Å; E424-K434 PolarHBondContact OE1-NZ 3.01Å; E424-K434 VanDerWaalsContact OE2-CD 3.28Å; E424-K434 WeakPolarHBondContact OE2-CD 3.46Å; E424-K434 IonicContact OE2-NZ 3.4Å; E424-K434 PolarHBondContact OE2-NZ 2.88Å; K434-E436 PolarHBondContact O-N 2.96Å
435R93.3Very high87.2Confident103 Ų10370.3 Ų70.339%0.38938%0.375SS..EExtended strand (participates in β ladder)trans-73.3124.4176.2-175178.360-174.5-9.9110.7L421 L437 D460 L463L421-R435 HydrophobicContact CD2-CB 4.36Å; R435-L437 HydrophobicContact CG-CD2 3.94Å; R435-L437 HydrophobicContact CG-CG 4.18Å; R435-D460 WeakPolarHBondContact CD-OD1 3.18Å; R435-D460 IonicContact CZ-OD1 2.88Å; R435-D460 IonicContact NE-OD1 3.92Å; R435-D460 IonicContact NH1-OD1 3.82Å; R435-D460 PolarHBondContact NH1-OD1 3.27Å; R435-D460 IonicContact NH1-OD2 2.64Å; R435-D460 PolarHBondContact NH1-OD2 3.32Å; R435-L463 HydrophobicContact CG-CD1 4.44Å
436E93.1Very high87.1Confident51 Ų5166.4 Ų66.424%0.23836%0.358CS..EExtended strand (participates in β ladder)trans-117.2125.6175.1-171.6171.7-157.900110.7Y407 A419 A420 K434 K438Y407-E436 VanDerWaalsContact CE1-OE2 3.24Å; Y407-E436 WeakPolarHBondContact CE1-OE2 3.38Å; Y407-E436 PolarHBondContact OH-OE2 3.2Å; A419-E436 WeakPolarHBondContact CA-O 3.5Å; A420-E436 PolarHBondContact N-O 3.34Å; A420-E436 PolarHBondContact O-N 2.64Å; K434-E436 PolarHBondContact O-N 2.96Å; E436-K438 VanDerWaalsContact CD-CE 3.41Å; E436-K438 HydrophobicContact CG-CG 4.24Å; E436-K438 WeakPolarHBondContact OE1-CE 3.4Å; E436-K438 IonicContact OE1-NZ 2.79Å; E436-K438 PolarHBondContact OE1-NZ 2.93Å
437L93Very high87.6Confident34 Ų3466 Ų6618%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-122.4121.1-177.4-53.6175.5000109.5A419 R435 L440 I442 V443 V459A419-L437 HydrophobicContact CB-CD2 3.67Å; R435-L437 HydrophobicContact CG-CD2 3.94Å; R435-L437 HydrophobicContact CG-CG 4.18Å; L437-L440 HydrophobicContact CD2-CD1 4.2Å; L437-I442 HydrophobicContact CD1-CD1 3.69Å; L437-I442 HydrophobicContact CD1-CG1 4.27Å; L437-I442 HydrophobicContact CD2-CD1 4.16Å; L437-I442 HydrophobicContact CG-CD1 4.39Å; L437-V443 HydrophobicContact CB-CG1 3.52Å; L437-V443 HydrophobicContact CD1-CG1 4.3Å; L437-V459 HydrophobicContact CD2-CG1 3.82Å
438K90.8Very high88.2Confident80 Ų8060.3 Ų60.335%0.34830%0.3SS..EExtended strand (participates in β ladder)trans-127.8121.4-174.4-66-82178.6160.30111.4K416 K417 Y418 E436 L440K416-K438 CarbonylContact O-C 3.43Å; K417-K438 CarbonylContact C-O 3.52Å; K417-K438 VanDerWaalsContact CA-O 3.27Å; K417-K438 WeakPolarHBondContact CA-O 3.49Å; Y418-K438 HydrophobicContact CD1-CB 3.99Å; Y418-K438 HydrophobicContact CD2-CB 4.3Å; Y418-K438 HydrophobicContact CD2-CG 4.42Å; Y418-K438 HydrophobicContact CE1-CB 3.66Å; Y418-K438 HydrophobicContact CE1-CG 4.03Å; Y418-K438 HydrophobicContact CE2-CB 4.02Å; Y418-K438 HydrophobicContact CE2-CG 3.75Å; Y418-K438 HydrophobicContact CG-CB 4.29Å; Y418-K438 PolarHBondContact N-O 2.99Å; Y418-K438 PolarHBondContact O-N 3.14Å; E436-K438 VanDerWaalsContact CD-CE 3.41Å; E436-K438 HydrophobicContact CG-CG 4.24Å; E436-K438 WeakPolarHBondContact OE1-CE 3.4Å; E436-K438 IonicContact OE1-NZ 2.79Å; E436-K438 PolarHBondContact OE1-NZ 2.93Å; K438-L440 PolarHBondContact O-N 3.48Å
439G87.3Confident88.6Confident34 Ų3460.1 Ų60.135%0.35130%0.296SS..SBendtrans62.6-0.3173.500000116.6K416 K417K416-G439 WeakPolarHBondContact O-CA 3.14Å; K417-G439 VanDerWaalsContact CE-O 3.3Å; K417-G439 WeakPolarHBondContact CE-O 3.37Å; K417-G439 WeakPolarHBondContact CG-O 3.31Å
440L91.4Very high89.2Confident3 Ų358.7 Ų58.72%0.01628%0.28CS..  trans-61.9157.1173.4-60.4-177.9000111.4L413 K417 A419 L437 K438 I442 V443 L582L413-L440 HydrophobicContact CD1-CD2 3.5Å; L413-L440 VanDerWaalsContact CD1-CD2 3.5Å; L413-L440 HydrophobicContact CG-CD2 4.25Å; K417-L440 HydrophobicContact CB-CD2 4.24Å; A419-L440 HydrophobicContact CB-CD1 3.68Å; L437-L440 HydrophobicContact CD2-CD1 4.2Å; K438-L440 PolarHBondContact O-N 3.48Å; L440-I442 HydrophobicContact CB-CD1 4.32Å; L440-I442 HydrophobicContact CB-CG1 3.75Å; L440-I442 HydrophobicContact CD1-CD1 3.93Å; L440-I442 HydrophobicContact CD1-CG1 4.27Å; L440-I442 PolarHBondContact O-N 2.88Å; L440-V443 WeakPolarHBondContact O-CG2 3.47Å; L440-V443 PolarHBondContact O-N 2.93Å; L440-V443 VanDerWaalsContact O-N 3.1Å; L440-L582 HydrophobicContact CD1-CD2 4.36Å
441D90.2Very high89.6Confident15 Ų1552.5 Ų52.58%0.0825%0.251CS..G310 helixtrans-63.5-32.1-178.3-58.8-35.3000111.7K417 V443 R444 W447 V578 R581K417-D441 IonicContact NZ-OD1 2.92Å; K417-D441 PolarHBondContact NZ-OD1 3.41Å; D441-V443 PolarHBondContact O-N 3.49Å; D441-R444 WeakPolarHBondContact O-CB 3.38Å; D441-R444 PolarHBondContact O-N 3.31Å; D441-W447 HydrophobicContact CB-CD2 4.06Å; D441-W447 HydrophobicContact CB-CG 4.07Å; D441-W447 HydrophobicContact CB-CZ2 4.31Å; D441-V578 HydrophobicContact CB-CG2 3.9Å; D441-R581 IonicContact OD2-CZ 3.81Å; D441-R581 IonicContact OD2-NE 2.78Å; D441-R581 PolarHBondContact OD2-NE 2.85Å; D441-R581 IonicContact OD2-NH2 3.61Å; D441-R581 PolarHBondContact OD2-NH2 3.27Å
442I90.7Very high89.8Confident9 Ų948.5 Ų48.55%0.04624%0.238CC..G310 helixtrans-64.7-17.8175.364.8-176.8000115.2L437 L440 V452 V459 V578L437-I442 HydrophobicContact CD1-CD1 3.69Å; L437-I442 HydrophobicContact CD1-CG1 4.27Å; L437-I442 HydrophobicContact CD2-CD1 4.16Å; L437-I442 HydrophobicContact CG-CD1 4.39Å; L440-I442 HydrophobicContact CB-CD1 4.32Å; L440-I442 HydrophobicContact CB-CG1 3.75Å; L440-I442 HydrophobicContact CD1-CD1 3.93Å; L440-I442 HydrophobicContact CD1-CG1 4.27Å; L440-I442 PolarHBondContact O-N 2.88Å; I442-V452 HydrophobicContact CB-CG1 4.45Å; I442-V452 WeakPolarHBondContact O-CG1 3.47Å; I442-V459 HydrophobicContact CD1-CG2 3.88Å; I442-V578 HydrophobicContact CG2-CG1 3.75Å
443V85.9Confident89.8Confident67 Ų6749.3 Ų49.341%0.40624%0.239SC..G310 helixtrans-99.3-3.5174.8-60.30000112.6L437 L440 D441L437-V443 HydrophobicContact CB-CG1 3.52Å; L437-V443 HydrophobicContact CD1-CG1 4.3Å; L440-V443 WeakPolarHBondContact O-CG2 3.47Å; L440-V443 PolarHBondContact O-N 2.93Å; L440-V443 VanDerWaalsContact O-N 3.1Å; D441-V443 PolarHBondContact O-N 3.49Å
444R84.5Confident89.9Confident106 Ų10645.9 Ų45.940%0.422%0.219SC..SBendtrans-93.3153.8177.1-56.8171.256.294.9-2.2110D441 D446D441-R444 WeakPolarHBondContact O-CB 3.38Å; D441-R444 PolarHBondContact O-N 3.31Å; R444-D446 WeakPolarHBondContact CB-OD1 3.48Å; R444-D446 IonicContact CZ-OD1 3.45Å; R444-D446 IonicContact CZ-OD2 3.43Å; R444-D446 IonicContact NE-OD1 2.77Å; R444-D446 PolarHBondContact NE-OD1 2.72Å; R444-D446 IonicContact NE-OD2 2.77Å; R444-D446 PolarHBondContact NE-OD2 3.04Å; R444-D446 IonicContact NH2-OD1 2.7Å; R444-D446 PolarHBondContact NH2-OD1 2.97Å; R444-D446 IonicContact NH2-OD2 2.72Å; R444-D446 PolarHBondContact NH2-OD2 2.99Å
445R80.5Confident90Very high76 Ų7640.7 Ų40.729%0.28720%0.196SC..THydrogen-bonded Turntrans-85-18.8-178.560-174.6151.7-172.72.3114.4K103 W447 F497K103-R445 WeakPolarHBondContact O-CD 3.49Å; K103-R445 PolarHBondContact O-NH1 3.45Å; R445-W447 PolarHBondContact O-N 3.15Å; R445-F497 CarbonylContact C-O 3.51Å; R445-F497 VanDerWaalsContact C-O 3.23Å; R445-F497 HydrophobicContact CB-CB 4.17Å; R445-F497 WeakPolarHBondContact O-CB 3.32Å; R445-F497 PolarHBondContact O-N 2.84Å; R445-F497 VanDerWaalsContact O-N 3.15Å
446D83.3Confident90Very high41 Ų4139.6 Ų39.622%0.21919%0.194CC..THydrogen-bonded Turntrans-83.46.3-177.859.4-27.5000113.6R444 L496 F497R444-D446 WeakPolarHBondContact CB-OD1 3.48Å; R444-D446 IonicContact CZ-OD1 3.45Å; R444-D446 IonicContact CZ-OD2 3.43Å; R444-D446 IonicContact NE-OD1 2.77Å; R444-D446 PolarHBondContact NE-OD1 2.72Å; R444-D446 IonicContact NE-OD2 2.77Å; R444-D446 PolarHBondContact NE-OD2 3.04Å; R444-D446 IonicContact NH2-OD1 2.7Å; R444-D446 PolarHBondContact NH2-OD1 2.97Å; R444-D446 IonicContact NH2-OD2 2.72Å; R444-D446 PolarHBondContact NH2-OD2 2.99Å; D446-L496 WeakPolarHBondContact O-CD2 3.29Å; D446-F497 WeakPolarHBondContact CA-O 3.34Å; D446-F497 PolarHBondContact N-O 2.96Å
447W90.2Very high90.1Very high21 Ų2143.2 Ų43.28%0.0821%0.206CC..SBendtrans-108.6139.9170.3-69.586.5000109.6D441 R445 A451 V452 Q573 Q574 P577 V578D441-W447 HydrophobicContact CB-CD2 4.06Å; D441-W447 HydrophobicContact CB-CG 4.07Å; D441-W447 HydrophobicContact CB-CZ2 4.31Å; R445-W447 PolarHBondContact O-N 3.15Å; W447-A451 HydrophobicContact CE3-CB 4.36Å; W447-V452 HydrophobicContact CB-CG2 4.35Å; W447-Q573 WeakPolarHBondContact CZ3-O 3.48Å; W447-Q574 VanDerWaalsContact CZ3-O 3.26Å; W447-Q574 WeakPolarHBondContact CZ3-O 3.37Å; W447-P577 HydrophobicContact CH2-CB 4.01Å; W447-P577 HydrophobicContact CZ3-CB 4.25Å; W447-V578 HydrophobicContact CD2-CG2 3.75Å; W447-V578 HydrophobicContact CE3-CG2 3.33Å; W447-V578 HydrophobicContact CG-CG2 4.47Å; W447-V578 HydrophobicContact CH2-CG2 4.2Å; W447-V578 HydrophobicContact CZ3-CG2 3.58Å
448S91.4Very high90.2Very high0 Ų041.6 Ų41.60%020%0.197CC..  trans-60.3151.8-178.661.80000111.9I450 A451 V452 C495 L496 Q574S448-I450 PolarHBondContact O-N 3.2Å; S448-A451 WeakPolarHBondContact O-CB 3.32Å; S448-A451 PolarHBondContact O-N 2.93Å; S448-A451 WeakPolarHBondContact OG-CB 3.33Å; S448-A451 PolarHBondContact OG-N 2.99Å; S448-V452 WeakPolarHBondContact O-CG2 3.45Å; S448-V452 PolarHBondContact O-N 2.92Å; S448-C495 WeakPolarHBondContact CA-O 3.47Å; S448-L496 VanDerWaalsContact N-CD2 3.32Å; S448-Q574 PolarHBondContact OG-OE1 3.3Å
449E88Confident90.4Very high105 Ų10537.8 Ų37.849%0.49118%0.18SC..Hα-helixtrans-55.7-39.6178.6-175.2163.1-161.700112.4A451 V452 L453 S493E449-A451 PolarHBondContact O-N 3.49Å; E449-V452 WeakPolarHBondContact O-CB 3.37Å; E449-V452 PolarHBondContact O-N 3.21Å; E449-L453 WeakPolarHBondContact O-CB 3.48Å; E449-L453 PolarHBondContact O-N 3.11Å; E449-S493 WeakPolarHBondContact OE2-CB 3.5Å
450I91.6Very high90.7Very high4 Ų439.2 Ų39.22%0.02118%0.18CC..Hα-helixtrans-61.1-43174.5-66.1168.1000111.8S448 V452 L453 A454 I486 L491 Y494 V575S448-I450 PolarHBondContact O-N 3.2Å; I450-V452 VanDerWaalsContact C-N 3.33Å; I450-L453 PolarHBondContact O-N 3.41Å; I450-A454 WeakPolarHBondContact O-CB 3.3Å; I450-A454 PolarHBondContact O-N 3.29Å; I450-I486 HydrophobicContact CG2-CD1 3.62Å; I450-I486 HydrophobicContact CG2-CG1 4.07Å; I450-L491 HydrophobicContact CD1-CB 4.33Å; I450-L491 HydrophobicContact CG1-CB 4.48Å; I450-L491 HydrophobicContact CG2-CD1 4.45Å; I450-Y494 HydrophobicContact CD1-CD1 3.42Å; I450-Y494 VanDerWaalsContact CD1-CD1 3.42Å; I450-Y494 HydrophobicContact CD1-CD2 4.16Å; I450-Y494 HydrophobicContact CD1-CE1 3.26Å; I450-Y494 HydrophobicContact CD1-CE2 4.03Å; I450-Y494 HydrophobicContact CD1-CG 3.89Å; I450-V575 HydrophobicContact CG2-CG2 3.86Å
451A92.9Very high90.9Very high0 Ų040.4 Ų40.40%019%0.186CC..Hα-helixtrans-67.5-35.2176.400000112.2W447 S448 E449 G455 Q574 V578W447-A451 HydrophobicContact CE3-CB 4.36Å; S448-A451 WeakPolarHBondContact O-CB 3.32Å; S448-A451 PolarHBondContact O-N 2.93Å; S448-A451 WeakPolarHBondContact OG-CB 3.33Å; S448-A451 PolarHBondContact OG-N 2.99Å; E449-A451 PolarHBondContact O-N 3.49Å; A451-G455 PolarHBondContact O-N 3.4Å; A451-Q574 HydrophobicContact CB-CB 4.04Å; A451-V578 HydrophobicContact CB-CG2 4.26Å
452V91.5Very high91.1Very high16 Ų1639.8 Ų39.810%0.09718%0.182CC..Hα-helixtrans-65.9-44.5173.6173.70000110.8I442 W447 S448 E449 I450 K456I442-V452 HydrophobicContact CB-CG1 4.45Å; I442-V452 WeakPolarHBondContact O-CG1 3.47Å; W447-V452 HydrophobicContact CB-CG2 4.35Å; S448-V452 WeakPolarHBondContact O-CG2 3.45Å; S448-V452 PolarHBondContact O-N 2.92Å; E449-V452 WeakPolarHBondContact O-CB 3.37Å; E449-V452 PolarHBondContact O-N 3.21Å; I450-V452 VanDerWaalsContact C-N 3.33Å; V452-K456 HydrophobicContact CG1-CD 4.11Å; V452-K456 HydrophobicContact CG1-CG 4.43Å; V452-K456 WeakPolarHBondContact O-CB 3.39Å; V452-K456 VanDerWaalsContact O-CG 3.27Å; V452-K456 WeakPolarHBondContact O-CG 3.47Å; V452-K456 PolarHBondContact O-N 3.37Å
453L91.4Very high91.2Very high89 Ų8939.6 Ų39.647%0.46618%0.181SC..Hα-helixtrans-59.8-52.1176.5-175.386.3000110.6E449 I450 G455 K456 R457E449-L453 WeakPolarHBondContact O-CB 3.48Å; E449-L453 PolarHBondContact O-N 3.11Å; I450-L453 PolarHBondContact O-N 3.41Å; L453-G455 PolarHBondContact O-N 2.68Å; L453-K456 PolarHBondContact O-N 3.23Å; L453-R457 PolarHBondContact O-N 3.43Å
454A93.7Very high91.6Very high0 Ų037.9 Ų37.90%017%0.172CC..Hα-helixtrans-57.1-50.6178.700000111.3I450 K456 R457 V458 Y478 L482 V575 V579I450-A454 WeakPolarHBondContact O-CB 3.3Å; I450-A454 PolarHBondContact O-N 3.29Å; A454-K456 PolarHBondContact O-N 3.13Å; A454-R457 PolarHBondContact O-N 2.86Å; A454-V458 VanDerWaalsContact O-CG2 3.32Å; A454-V458 WeakPolarHBondContact O-CG2 3.31Å; A454-V458 PolarHBondContact O-N 3.18Å; A454-Y478 WeakPolarHBondContact CA-OH 3.34Å; A454-Y478 HydrophobicContact CB-CE1 4.46Å; A454-L482 HydrophobicContact CB-CD2 3.52Å; A454-V575 HydrophobicContact CB-CG1 3.98Å; A454-V579 HydrophobicContact CB-CG2 4.46Å
455G94.9Very high91.9Very high0 Ų038 Ų380%018%0.181CC..Hα-helixtrans-65.8-35.2179.900000113.2A451 L453 V459A451-G455 PolarHBondContact O-N 3.4Å; L453-G455 PolarHBondContact O-N 2.68Å; G455-V459 WeakPolarHBondContact O-CB 3.37Å; G455-V459 VanDerWaalsContact O-CG2 3.26Å; G455-V459 WeakPolarHBondContact O-CG2 3.13Å; G455-V459 PolarHBondContact O-N 3.37Å
456K94.3Very high92.3Very high81 Ų8137.9 Ų37.935%0.35219%0.185SC..Hα-helixtrans-63.5-46.8173.3-80.2175.6177.2-1790111.5V452 L453 A454 V458 V459 D460V452-K456 HydrophobicContact CG1-CD 4.11Å; V452-K456 HydrophobicContact CG1-CG 4.43Å; V452-K456 WeakPolarHBondContact O-CB 3.39Å; V452-K456 VanDerWaalsContact O-CG 3.27Å; V452-K456 WeakPolarHBondContact O-CG 3.47Å; V452-K456 PolarHBondContact O-N 3.37Å; L453-K456 PolarHBondContact O-N 3.23Å; A454-K456 PolarHBondContact O-N 3.13Å; K456-V458 VanDerWaalsContact C-N 3.34Å; K456-V458 PolarHBondContact O-N 2.99Å; K456-V459 PolarHBondContact O-N 3.04Å; K456-D460 VanDerWaalsContact O-CG 3.23Å; K456-D460 PolarHBondContact O-N 3.28Å
457R94.3Very high92.6Very high127 Ų12742.7 Ų42.748%0.47921%0.206SC..Hα-helixtrans-62.3-42.3178.4-174.962.1171.6-178.2-0.2111.5L453 A454 D460 Q461 Y478L453-R457 PolarHBondContact O-N 3.43Å; A454-R457 PolarHBondContact O-N 2.86Å; R457-D460 PolarHBondContact O-N 3.46Å; R457-Q461 WeakPolarHBondContact O-CG 3.48Å; R457-Q461 PolarHBondContact O-N 3.04Å; R457-Y478 HydrophobicContact CB-CD1 4.37Å; R457-Y478 HydrophobicContact CB-CE1 3.72Å; R457-Y478 HydrophobicContact CB-CE2 4.49Å; R457-Y478 HydrophobicContact CG-CD1 3.93Å; R457-Y478 HydrophobicContact CG-CD2 4.19Å; R457-Y478 HydrophobicContact CG-CE1 3.71Å; R457-Y478 HydrophobicContact CG-CE2 3.98Å; R457-Y478 HydrophobicContact CG-CG 4.16Å
458V95.5Very high92.6Very high0 Ų044.4 Ų44.40%022%0.219CC..Hα-helixtrans-62.8-44.9174.7169.40000111.1A454 K456 D460 Q461 I462 I475 V579 L582A454-V458 VanDerWaalsContact O-CG2 3.32Å; A454-V458 WeakPolarHBondContact O-CG2 3.31Å; A454-V458 PolarHBondContact O-N 3.18Å; K456-V458 VanDerWaalsContact C-N 3.34Å; K456-V458 PolarHBondContact O-N 2.99Å; V458-D460 VanDerWaalsContact C-N 3.27Å; V458-D460 PolarHBondContact O-N 3.37Å; V458-Q461 PolarHBondContact O-N 3.09Å; V458-I462 HydrophobicContact CG1-CD1 3.65Å; V458-I462 HydrophobicContact CG1-CG1 4.31Å; V458-I462 VanDerWaalsContact O-CG1 3.25Å; V458-I462 WeakPolarHBondContact O-CG1 3.36Å; V458-I462 PolarHBondContact O-N 3.13Å; V458-I475 HydrophobicContact CG1-CD1 4.14Å; V458-I475 HydrophobicContact CG1-CG1 4.46Å; V458-I475 HydrophobicContact CG2-CG1 4.49Å; V458-I475 HydrophobicContact CG2-CG2 4.12Å; V458-V579 HydrophobicContact CG1-CG1 4.42Å; V458-V579 HydrophobicContact CG2-CG1 4.06Å; V458-V579 HydrophobicContact CG2-CG2 4.13Å; V458-L582 HydrophobicContact CB-CD1 4.39Å; V458-L582 HydrophobicContact CG1-CB 4.19Å; V458-L582 HydrophobicContact CG1-CD1 4.14Å
459V95Very high92.6Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-60.2-38.5174.6168.20000111.8A419 L437 I442 G455 K456 Q461 I462 L463 L582A419-V459 HydrophobicContact CB-CG1 3.93Å; A419-V459 HydrophobicContact CB-CG2 4.5Å; L437-V459 HydrophobicContact CD2-CG1 3.82Å; I442-V459 HydrophobicContact CD1-CG2 3.88Å; G455-V459 WeakPolarHBondContact O-CB 3.37Å; G455-V459 VanDerWaalsContact O-CG2 3.26Å; G455-V459 WeakPolarHBondContact O-CG2 3.13Å; G455-V459 PolarHBondContact O-N 3.37Å; K456-V459 PolarHBondContact O-N 3.04Å; V459-Q461 VanDerWaalsContact C-N 3.33Å; V459-I462 PolarHBondContact O-N 3.48Å; V459-L463 HydrophobicContact CG1-CD1 3.64Å; V459-L463 HydrophobicContact CG1-CG 4.13Å; V459-L463 WeakPolarHBondContact O-CB 3.42Å; V459-L463 WeakPolarHBondContact O-CG 3.38Å; V459-L463 PolarHBondContact O-N 3.46Å; V459-L582 HydrophobicContact CG2-CD1 3.96Å; V459-L582 HydrophobicContact CG2-CD2 3.64Å; V459-L582 HydrophobicContact CG2-CG 4.43Å
460D94.5Very high92.8Very high63 Ų6349.1 Ų49.134%0.33725%0.248SC..Hα-helixtrans-65.4-37.3177.5-68.7-24000112.1R435 K456 R457 V458 S464R435-D460 WeakPolarHBondContact CD-OD1 3.18Å; R435-D460 IonicContact CZ-OD1 2.88Å; R435-D460 IonicContact NE-OD1 3.92Å; R435-D460 IonicContact NH1-OD1 3.82Å; R435-D460 PolarHBondContact NH1-OD1 3.27Å; R435-D460 IonicContact NH1-OD2 2.64Å; R435-D460 PolarHBondContact NH1-OD2 3.32Å; K456-D460 VanDerWaalsContact O-CG 3.23Å; K456-D460 PolarHBondContact O-N 3.28Å; R457-D460 PolarHBondContact O-N 3.46Å; V458-D460 VanDerWaalsContact C-N 3.27Å; V458-D460 PolarHBondContact O-N 3.37Å; D460-S464 WeakPolarHBondContact O-CB 3.48Å; D460-S464 PolarHBondContact O-N 3.45Å; D460-S464 VanDerWaalsContact O-N 3.07Å
461Q94.3Very high92.9Very high29 Ų2949.2 Ų49.214%0.13625%0.248CC..Hα-helixtrans-65.7-45.5170.9-65.7-61.5-31.600111.2R457 V458 V459 L463 S464 M471 I475R457-Q461 WeakPolarHBondContact O-CG 3.48Å; R457-Q461 PolarHBondContact O-N 3.04Å; V458-Q461 PolarHBondContact O-N 3.09Å; V459-Q461 VanDerWaalsContact C-N 3.33Å; Q461-L463 VanDerWaalsContact C-N 3.32Å; Q461-L463 PolarHBondContact O-N 2.92Å; Q461-S464 VanDerWaalsContact O-CB 3.28Å; Q461-S464 WeakPolarHBondContact O-CB 2.94Å; Q461-S464 PolarHBondContact O-N 2.83Å; Q461-S464 VanDerWaalsContact O-N 3.14Å; Q461-S464 PolarHBondContact O-OG 2.93Å; Q461-M471 HydrophobicContact CB-CG 4.27Å; Q461-I475 HydrophobicContact CB-CD1 4.1Å; Q461-I475 HydrophobicContact CB-CG1 3.81Å; Q461-I475 HydrophobicContact CG-CG1 4.14Å
462I94.2Very high92.9Very high1 Ų150 Ų501%0.00525%0.252CS..Hα-helixtrans-62.2-39.6-179.4-63.6165.9000112.6F227 L411 V458 V459 S464 M471 I475 L582 I586F227-I462 HydrophobicContact CD2-CG2 3.88Å; F227-I462 HydrophobicContact CE2-CG2 3.81Å; F227-I462 VanDerWaalsContact CE2-O 3.31Å; F227-I462 WeakPolarHBondContact CE2-O 2.85Å; F227-I462 VanDerWaalsContact CZ-O 3.3Å; F227-I462 WeakPolarHBondContact CZ-O 3.35Å; L411-I462 HydrophobicContact CD1-CG2 4.41Å; L411-I462 HydrophobicContact CD2-CD1 4.05Å; L411-I462 HydrophobicContact CD2-CG2 4.18Å; V458-I462 HydrophobicContact CG1-CD1 3.65Å; V458-I462 HydrophobicContact CG1-CG1 4.31Å; V458-I462 VanDerWaalsContact O-CG1 3.25Å; V458-I462 WeakPolarHBondContact O-CG1 3.36Å; V458-I462 PolarHBondContact O-N 3.13Å; V459-I462 PolarHBondContact O-N 3.48Å; I462-S464 VanDerWaalsContact C-N 3.33Å; I462-M471 VanDerWaalsContact CA-SD 3.52Å; I462-M471 HydrophobicContact CB-SD 4.27Å; I462-M471 HydrophobicContact CG1-SD 4.15Å; I462-I475 HydrophobicContact CG1-CD1 4.13Å; I462-L582 HydrophobicContact CD1-CB 4.12Å; I462-I586 HydrophobicContact CD1-CD1 3.69Å; I462-I586 HydrophobicContact CG1-CD1 3.61Å; I462-I586 HydrophobicContact CG2-CD1 4.16Å
463L94Very high93Very high6 Ų653.5 Ų53.53%0.03127%0.271CS..THydrogen-bonded Turntrans-88.1-2.2-179.9-63.7-179.9000112.9F227 K409 A419 L421 R435 V459 Q461F227-L463 HydrophobicContact CE2-CD2 4.44Å; K409-L463 HydrophobicContact CB-CD2 3.92Å; A419-L463 HydrophobicContact CB-CD1 4.24Å; L421-L463 HydrophobicContact CD1-CB 4.02Å; L421-L463 VanDerWaalsContact CD1-O 3.24Å; L421-L463 WeakPolarHBondContact CD1-O 3.31Å; L421-L463 HydrophobicContact CD2-CB 4.14Å; L421-L463 HydrophobicContact CD2-CD1 3.98Å; L421-L463 HydrophobicContact CG-CB 3.91Å; L421-L463 HydrophobicContact CG-CD1 4.06Å; L421-L463 HydrophobicContact CG-CD2 4.41Å; L421-L463 HydrophobicContact CG-CG 4.35Å; R435-L463 HydrophobicContact CG-CD1 4.44Å; V459-L463 HydrophobicContact CG1-CD1 3.64Å; V459-L463 HydrophobicContact CG1-CG 4.13Å; V459-L463 WeakPolarHBondContact O-CB 3.42Å; V459-L463 WeakPolarHBondContact O-CG 3.38Å; V459-L463 PolarHBondContact O-N 3.46Å; Q461-L463 VanDerWaalsContact C-N 3.32Å; Q461-L463 PolarHBondContact O-N 2.92Å
464S93.1Very high93.1Very high31 Ų3152.8 Ų52.822%0.21727%0.267CS..SBendtrans-68.4168.3175.777.50000111.8K409 D460 Q461 I462 L466K409-S464 PolarHBondContact NZ-O 2.98Å; D460-S464 WeakPolarHBondContact O-CB 3.48Å; D460-S464 PolarHBondContact O-N 3.45Å; D460-S464 VanDerWaalsContact O-N 3.07Å; Q461-S464 VanDerWaalsContact O-CB 3.28Å; Q461-S464 WeakPolarHBondContact O-CB 2.94Å; Q461-S464 PolarHBondContact O-N 2.83Å; Q461-S464 VanDerWaalsContact O-N 3.14Å; Q461-S464 PolarHBondContact O-OG 2.93Å; I462-S464 VanDerWaalsContact C-N 3.33Å; S464-L466 PolarHBondContact O-N 3.15Å; S464-L466 WeakPolarHBondContact OG-CB 3.46Å; S464-L466 WeakPolarHBondContact OG-CG 3.02Å; S464-L466 PolarHBondContact OG-N 3.11Å
465D90.5Very high93.2Very high108 Ų10852.8 Ų52.858%0.57827%0.267SS*.SBendtrans-86.513.6176.7-67.8-31.6000113.8K408 K409K408-D465 IonicContact NZ-OD1 3.56Å; K408-D465 PolarHBondContact NZ-OD1 3.45Å; K408-D465 VanDerWaalsContact NZ-OD1 3.13Å; K408-D465 IonicContact NZ-OD2 3.48Å; K408-D465 PolarHBondContact NZ-OD2 3.33Å; K409-D465 IonicContact NZ-OD1 2.66Å; K409-D465 PolarHBondContact NZ-OD1 3.26Å
466L90.7Very high93.1Very high73 Ų7354 Ų5438%0.38227%0.273SS..SBendtrans-69.2155.7175.2-63.5175.6000112.4S464 D470 M471 N474S464-L466 PolarHBondContact O-N 3.15Å; S464-L466 WeakPolarHBondContact OG-CB 3.46Å; S464-L466 WeakPolarHBondContact OG-CG 3.02Å; S464-L466 PolarHBondContact OG-N 3.11Å; L466-D470 HydrophobicContact CB-CB 4.47Å; L466-M471 HydrophobicContact CB-CB 4.34Å; L466-N474 VanDerWaalsContact CD1-ND2 3.3Å; L466-N474 WeakPolarHBondContact CD1-ND2 3.33Å
467Q89.6Confident93.2Very high142 Ų14253.3 Ų53.366%0.66428%0.279SS*.  trans-70.1159.5167.8-64.1-58.9-52.800110.5D469 D470 M471Q467-D469 VanDerWaalsContact C-N 3.32Å; Q467-D469 PolarHBondContact O-N 2.86Å; Q467-D470 PolarHBondContact O-N 2.84Å; Q467-M471 VanDerWaalsContact O-CB 3.31Å; Q467-M471 WeakPolarHBondContact O-CB 3.38Å; Q467-M471 PolarHBondContact O-N 2.97Å
468V89.6Confident93.2Very high58 Ų5849.2 Ų49.235%0.35226%0.263SS..Hα-helixtrans-60.9-41.4-171.5176.50000112.1M471 L472 I586 E587V468-M471 HydrophobicContact CB-CE 4.34Å; V468-M471 HydrophobicContact CG1-CE 3.93Å; V468-M471 PolarHBondContact O-N 2.91Å; V468-L472 HydrophobicContact CG1-CD1 4.08Å; V468-L472 HydrophobicContact CG1-CG 4.48Å; V468-L472 WeakPolarHBondContact O-CG 2.92Å; V468-L472 PolarHBondContact O-N 3.26Å; V468-I586 HydrophobicContact CG1-CG2 4.06Å; V468-E587 WeakPolarHBondContact CG1-O 3.37Å
469D90.6Very high93.1Very high118 Ų11849.2 Ų49.263%0.63126%0.263SS*.Hα-helixtrans-65.1-51.1-179.6-62.3-36000111.6Q467 M471 L472 D473Q467-D469 VanDerWaalsContact C-N 3.32Å; Q467-D469 PolarHBondContact O-N 2.86Å; D469-M471 VanDerWaalsContact C-N 3.28Å; D469-M471 PolarHBondContact O-N 3.11Å; D469-L472 PolarHBondContact O-N 2.99Å; D469-L472 VanDerWaalsContact O-N 3.12Å; D469-D473 PolarHBondContact O-N 3.03Å
470D93.1Very high93.1Very high86 Ų8650.3 Ų50.346%0.4628%0.275SS..Hα-helixtrans-59-40.1177.8-62.1-38.6000112L466 Q467 N474L466-D470 HydrophobicContact CB-CB 4.47Å; Q467-D470 PolarHBondContact O-N 2.84Å; D470-N474 WeakPolarHBondContact O-CB 3.09Å; D470-N474 PolarHBondContact O-N 3.2Å; D470-N474 PolarHBondContact O-ND2 3.25Å
471M92.8Very high93Very high5 Ų553.1 Ų53.13%0.02529%0.286CS..Hα-helixtrans-62-46.6176.2170.7-16666.900111.3Q461 I462 L466 Q467 V468 D469 N474 I475 I586Q461-M471 HydrophobicContact CB-CG 4.27Å; I462-M471 VanDerWaalsContact CA-SD 3.52Å; I462-M471 HydrophobicContact CB-SD 4.27Å; I462-M471 HydrophobicContact CG1-SD 4.15Å; L466-M471 HydrophobicContact CB-CB 4.34Å; Q467-M471 VanDerWaalsContact O-CB 3.31Å; Q467-M471 WeakPolarHBondContact O-CB 3.38Å; Q467-M471 PolarHBondContact O-N 2.97Å; V468-M471 HydrophobicContact CB-CE 4.34Å; V468-M471 HydrophobicContact CG1-CE 3.93Å; V468-M471 PolarHBondContact O-N 2.91Å; D469-M471 VanDerWaalsContact C-N 3.28Å; D469-M471 PolarHBondContact O-N 3.11Å; M471-N474 PolarHBondContact O-N 3.25Å; M471-I475 HydrophobicContact CG-CD1 3.98Å; M471-I475 WeakPolarHBondContact O-CD1 3.28Å; M471-I475 VanDerWaalsContact O-CG1 3.24Å; M471-I475 WeakPolarHBondContact O-CG1 3.13Å; M471-I475 PolarHBondContact O-N 3.12Å; M471-I586 HydrophobicContact CE-CD1 4.04Å; M471-I586 HydrophobicContact CE-CG2 3.6Å
472L93Very high93Very high17 Ų1752 Ų529%0.08928%0.281CS..Hα-helixtrans-67.1-41.1179.9-71.7175.9000111.6V468 D469 I475 M476 I586 A589V468-L472 HydrophobicContact CG1-CD1 4.08Å; V468-L472 HydrophobicContact CG1-CG 4.48Å; V468-L472 WeakPolarHBondContact O-CG 2.92Å; V468-L472 PolarHBondContact O-N 3.26Å; D469-L472 PolarHBondContact O-N 2.99Å; D469-L472 VanDerWaalsContact O-N 3.12Å; L472-I475 PolarHBondContact O-N 3.4Å; L472-M476 HydrophobicContact CB-CE 4.47Å; L472-M476 WeakPolarHBondContact O-CG 3.44Å; L472-M476 PolarHBondContact O-N 3.35Å; L472-I586 HydrophobicContact CD2-CG2 4.33Å; L472-A589 HydrophobicContact CD2-CB 3.91Å
473D93.4Very high92.9Very high90 Ų9052 Ų5248%0.48128%0.281SS..Hα-helixtrans-62.2-43.7175.7-77.7-18.4000111.8D469 I475 M476 S477D469-D473 PolarHBondContact O-N 3.03Å; D473-I475 VanDerWaalsContact C-N 3.33Å; D473-I475 PolarHBondContact O-N 3.32Å; D473-M476 PolarHBondContact O-N 3.37Å; D473-M476 WeakPolarHBondContact OD1-CE 3.44Å; D473-S477 PolarHBondContact O-N 3.46Å
474N94.7Very high92.8Very high73 Ų7356.8 Ų56.839%0.3931%0.306SS..Hα-helixtrans-61.3-40.9174.3-75.6-20.1000112.4L466 D470 M471 Y478L466-N474 VanDerWaalsContact CD1-ND2 3.3Å; L466-N474 WeakPolarHBondContact CD1-ND2 3.33Å; D470-N474 WeakPolarHBondContact O-CB 3.09Å; D470-N474 PolarHBondContact O-N 3.2Å; D470-N474 PolarHBondContact O-ND2 3.25Å; M471-N474 PolarHBondContact O-N 3.25Å; N474-Y478 VanDerWaalsContact O-CB 3.27Å; N474-Y478 WeakPolarHBondContact O-CB 3.31Å; N474-Y478 PolarHBondContact O-N 2.98Å
475I94.7Very high92.7Very high1 Ų156.4 Ų56.41%0.00531%0.305CS..Hα-helixtrans-63.4-47.7175.5-71.5164.9000110.1V458 Q461 I462 M471 L472 D473 Y478 L479 L594V458-I475 HydrophobicContact CG1-CD1 4.14Å; V458-I475 HydrophobicContact CG1-CG1 4.46Å; V458-I475 HydrophobicContact CG2-CG1 4.49Å; V458-I475 HydrophobicContact CG2-CG2 4.12Å; Q461-I475 HydrophobicContact CB-CD1 4.1Å; Q461-I475 HydrophobicContact CB-CG1 3.81Å; Q461-I475 HydrophobicContact CG-CG1 4.14Å; I462-I475 HydrophobicContact CG1-CD1 4.13Å; M471-I475 HydrophobicContact CG-CD1 3.98Å; M471-I475 WeakPolarHBondContact O-CD1 3.28Å; M471-I475 VanDerWaalsContact O-CG1 3.24Å; M471-I475 WeakPolarHBondContact O-CG1 3.13Å; M471-I475 PolarHBondContact O-N 3.12Å; L472-I475 PolarHBondContact O-N 3.4Å; D473-I475 VanDerWaalsContact C-N 3.33Å; D473-I475 PolarHBondContact O-N 3.32Å; I475-Y478 PolarHBondContact O-N 2.91Å; I475-L479 HydrophobicContact CG2-CD1 3.98Å; I475-L479 HydrophobicContact CG2-CG 4.36Å; I475-L479 VanDerWaalsContact O-CG 3.27Å; I475-L479 WeakPolarHBondContact O-CG 3.29Å; I475-L479 PolarHBondContact O-N 2.73Å; I475-L594 HydrophobicContact CG2-CD2 4.28Å
476M93.8Very high92.7Very high25 Ų2551.3 Ų51.312%0.12328%0.278CS..Hα-helixtrans-62.8-44.6-178.8-73.2-175-67.600112.3L472 D473 L479 G480 R593 L594L472-M476 HydrophobicContact CB-CE 4.47Å; L472-M476 WeakPolarHBondContact O-CG 3.44Å; L472-M476 PolarHBondContact O-N 3.35Å; D473-M476 PolarHBondContact O-N 3.37Å; D473-M476 WeakPolarHBondContact OD1-CE 3.44Å; M476-L479 PolarHBondContact O-N 2.92Å; M476-G480 PolarHBondContact O-N 3.5Å; M476-G480 VanDerWaalsContact O-N 3.13Å; M476-R593 HydrophobicContact SD-CG 3.95Å; M476-R593 PolarHBondContact SD-NE 3.12Å; M476-R593 VanDerWaalsContact SD-NE 3.39Å; M476-L594 HydrophobicContact CG-CD2 4.28Å
477S95.1Very high92.6Very high67 Ų6752.7 Ų52.747%0.46928%0.278SS..Hα-helixtrans-59.8-48.1175.3-168.20000111.4D473 L479 G480 E481D473-S477 PolarHBondContact O-N 3.46Å; S477-L479 VanDerWaalsContact C-N 3.33Å; S477-L479 PolarHBondContact O-N 3.05Å; S477-G480 PolarHBondContact O-N 3.48Å; S477-G480 VanDerWaalsContact O-N 3.14Å; S477-E481 PolarHBondContact O-N 3.38Å
478Y95.2Very high92.5Very high40 Ų4051.8 Ų51.816%0.15728%0.278CS..Hα-helixtrans-59.7-40.6178169.7-112.8000112.6A454 R457 N474 I475 G480 E481 L482A454-Y478 WeakPolarHBondContact CA-OH 3.34Å; A454-Y478 HydrophobicContact CB-CE1 4.46Å; R457-Y478 HydrophobicContact CB-CD1 4.37Å; R457-Y478 HydrophobicContact CB-CE1 3.72Å; R457-Y478 HydrophobicContact CB-CE2 4.49Å; R457-Y478 HydrophobicContact CG-CD1 3.93Å; R457-Y478 HydrophobicContact CG-CD2 4.19Å; R457-Y478 HydrophobicContact CG-CE1 3.71Å; R457-Y478 HydrophobicContact CG-CE2 3.98Å; R457-Y478 HydrophobicContact CG-CG 4.16Å; N474-Y478 VanDerWaalsContact O-CB 3.27Å; N474-Y478 WeakPolarHBondContact O-CB 3.31Å; N474-Y478 PolarHBondContact O-N 2.98Å; I475-Y478 PolarHBondContact O-N 2.91Å; Y478-G480 VanDerWaalsContact C-N 3.33Å; Y478-G480 PolarHBondContact O-N 2.89Å; Y478-E481 PolarHBondContact O-N 3.35Å; Y478-L482 HydrophobicContact CE1-CD2 4.34Å; Y478-L482 HydrophobicContact CE2-CB 4.43Å; Y478-L482 VanDerWaalsContact O-CB 3.23Å; Y478-L482 WeakPolarHBondContact O-CB 3.06Å; Y478-L482 PolarHBondContact O-N 2.9Å
479L94.3Very high91.9Very high0 Ų053.3 Ų53.30%029%0.291CS..Hα-helixtrans-64.6-38.3177.2-68.3173.2000111.9I475 M476 S477 A483 V579 L594 C597 L598I475-L479 HydrophobicContact CG2-CD1 3.98Å; I475-L479 HydrophobicContact CG2-CG 4.36Å; I475-L479 VanDerWaalsContact O-CG 3.27Å; I475-L479 WeakPolarHBondContact O-CG 3.29Å; I475-L479 PolarHBondContact O-N 2.73Å; M476-L479 PolarHBondContact O-N 2.92Å; S477-L479 VanDerWaalsContact C-N 3.33Å; S477-L479 PolarHBondContact O-N 3.05Å; L479-A483 VanDerWaalsContact O-CB 3.26Å; L479-A483 WeakPolarHBondContact O-CB 2.93Å; L479-A483 PolarHBondContact O-N 2.94Å; L479-V579 HydrophobicContact CD1-CG1 3.92Å; L479-V579 HydrophobicContact CD2-CG1 4.11Å; L479-V579 HydrophobicContact CD2-CG2 3.98Å; L479-L594 HydrophobicContact CD1-CB 4.39Å; L479-L594 HydrophobicContact CD1-CD2 3.75Å; L479-C597 HydrophobicContact CB-CB 3.98Å; L479-L598 HydrophobicContact CB-CD2 4.07Å; L479-L598 HydrophobicContact CB-CG 4.43Å; L479-L598 HydrophobicContact CD2-CD2 4.07Å
480G93.9Very high90.9Very high24 Ų2451.1 Ų51.125%0.24729%0.289CS..Hα-helixtrans-60.8-50173.800000112.3M476 S477 Y478 A483 L484 C597M476-G480 PolarHBondContact O-N 3.5Å; M476-G480 VanDerWaalsContact O-N 3.13Å; S477-G480 PolarHBondContact O-N 3.48Å; S477-G480 VanDerWaalsContact O-N 3.14Å; Y478-G480 VanDerWaalsContact C-N 3.33Å; Y478-G480 PolarHBondContact O-N 2.89Å; G480-A483 PolarHBondContact O-N 2.92Å; G480-L484 WeakPolarHBondContact O-CG 3.37Å; G480-L484 PolarHBondContact O-N 2.73Å; G480-L484 VanDerWaalsContact O-N 3.08Å; G480-C597 WeakPolarHBondContact CA-O 3.47Å
481E93.4Very high89.6Confident122 Ų12249 Ų4957%0.5728%0.278SS*.Hα-helixtrans-60.7-45.9176.5-70.3169.8-156.300112.2S477 Y478 A483 L484 A485S477-E481 PolarHBondContact O-N 3.38Å; Y478-E481 PolarHBondContact O-N 3.35Å; E481-A483 VanDerWaalsContact C-N 3.32Å; E481-A483 PolarHBondContact O-N 2.94Å; E481-L484 PolarHBondContact O-N 3.17Å; E481-A485 WeakPolarHBondContact O-CB 3.34Å; E481-A485 PolarHBondContact O-N 3.21Å
482L92.5Very high88Confident6 Ų653.4 Ų53.43%0.03131%0.307CS..Hα-helixtrans-60.7-43.4178.1-179.370.9000110.9A454 Y478 L484 A485 I486 L491 V575A454-L482 HydrophobicContact CB-CD2 3.52Å; Y478-L482 HydrophobicContact CE1-CD2 4.34Å; Y478-L482 HydrophobicContact CE2-CB 4.43Å; Y478-L482 VanDerWaalsContact O-CB 3.23Å; Y478-L482 WeakPolarHBondContact O-CB 3.06Å; Y478-L482 PolarHBondContact O-N 2.9Å; L482-L484 VanDerWaalsContact C-N 3.31Å; L482-L484 PolarHBondContact O-N 3.14Å; L482-A485 PolarHBondContact O-N 3.45Å; L482-I486 HydrophobicContact CD1-CD1 4.29Å; L482-I486 HydrophobicContact CD1-CG1 4.48Å; L482-I486 HydrophobicContact CD2-CD1 4.39Å; L482-I486 HydrophobicContact CG-CD1 3.88Å; L482-I486 HydrophobicContact CG-CG1 4.44Å; L482-I486 VanDerWaalsContact O-CG1 3.24Å; L482-I486 WeakPolarHBondContact O-CG1 3.42Å; L482-I486 PolarHBondContact O-N 2.82Å; L482-L491 HydrophobicContact CD1-CD1 3.54Å; L482-V575 HydrophobicContact CD2-CG1 3.96Å
483A92.3Very high87.1Confident1 Ų154.7 Ų54.71%0.00832%0.317CS..Hα-helixtrans-66.3-34-18000000112.1L479 G480 E481 R487 L571 L598L479-A483 VanDerWaalsContact O-CB 3.26Å; L479-A483 WeakPolarHBondContact O-CB 2.93Å; L479-A483 PolarHBondContact O-N 2.94Å; G480-A483 PolarHBondContact O-N 2.92Å; E481-A483 VanDerWaalsContact C-N 3.32Å; E481-A483 PolarHBondContact O-N 2.94Å; A483-R487 VanDerWaalsContact C-NH1 3.33Å; A483-R487 VanDerWaalsContact O-CG 3.27Å; A483-R487 WeakPolarHBondContact O-CG 3.23Å; A483-R487 PolarHBondContact O-N 3.11Å; A483-R487 PolarHBondContact O-NH1 2.98Å; A483-R487 VanDerWaalsContact O-NH1 3.11Å; A483-L571 HydrophobicContact CB-CD2 4.08Å; A483-L598 HydrophobicContact CB-CD2 4.05Å
484L92.1Very high86.7Confident105 Ų10551 Ų5155%0.5530%0.297SS..Hα-helixtrans-67.6-45.7170.9-69.9171.6000111.5G480 E481 L482 I486 R487 N488G480-L484 WeakPolarHBondContact O-CG 3.37Å; G480-L484 PolarHBondContact O-N 2.73Å; G480-L484 VanDerWaalsContact O-N 3.08Å; E481-L484 PolarHBondContact O-N 3.17Å; L482-L484 VanDerWaalsContact C-N 3.31Å; L482-L484 PolarHBondContact O-N 3.14Å; L484-I486 VanDerWaalsContact C-N 3.34Å; L484-I486 PolarHBondContact O-N 3.08Å; L484-R487 PolarHBondContact O-N 3.07Å; L484-N488 WeakPolarHBondContact O-CB 3.43Å; L484-N488 VanDerWaalsContact O-CG 3.31Å; L484-N488 PolarHBondContact O-N 2.79Å; L484-N488 PolarHBondContact O-ND2 2.89Å
485A91.3Very high86.4Confident24 Ų2447.7 Ų47.720%0.19828%0.279CS..Hα-helixtrans-61.1-40.317900000112.7E481 L482 N488 S489 A490 L491E481-A485 WeakPolarHBondContact O-CB 3.34Å; E481-A485 PolarHBondContact O-N 3.21Å; L482-A485 PolarHBondContact O-N 3.45Å; A485-N488 PolarHBondContact O-N 3.07Å; A485-S489 PolarHBondContact O-N 3.02Å; A485-A490 HydrophobicContact CB-CB 4.5Å; A485-A490 PolarHBondContact O-N 3.04Å; A485-L491 HydrophobicContact CB-CD1 4.1Å; A485-L491 HydrophobicContact CB-CD2 4.37Å; A485-L491 HydrophobicContact CB-CG 4.03Å
486I89.8Confident86.2Confident0 Ų047.7 Ų47.70%028%0.279CS..Hα-helixtrans-63.4-46.6174.8-67.9167.5000110.6I450 L482 L484 N488 S489 L491 Y494 V567 L571 V575I450-I486 HydrophobicContact CG2-CD1 3.62Å; I450-I486 HydrophobicContact CG2-CG1 4.07Å; L482-I486 HydrophobicContact CD1-CD1 4.29Å; L482-I486 HydrophobicContact CD1-CG1 4.48Å; L482-I486 HydrophobicContact CD2-CD1 4.39Å; L482-I486 HydrophobicContact CG-CD1 3.88Å; L482-I486 HydrophobicContact CG-CG1 4.44Å; L482-I486 VanDerWaalsContact O-CG1 3.24Å; L482-I486 WeakPolarHBondContact O-CG1 3.42Å; L482-I486 PolarHBondContact O-N 2.82Å; L484-I486 VanDerWaalsContact C-N 3.34Å; L484-I486 PolarHBondContact O-N 3.08Å; I486-N488 VanDerWaalsContact C-N 3.28Å; I486-N488 PolarHBondContact O-N 3.15Å; I486-S489 PolarHBondContact O-N 3.21Å; I486-S489 VanDerWaalsContact O-N 3.12Å; I486-L491 HydrophobicContact CG1-CD1 3.63Å; I486-Y494 HydrophobicContact CG2-CE1 4.08Å; I486-Y494 PolarHBondContact O-OH 3.34Å; I486-V567 HydrophobicContact CG2-CG1 3.77Å; I486-V567 HydrophobicContact CG2-CG2 4.49Å; I486-L571 HydrophobicContact CB-CD2 4.38Å; I486-L571 HydrophobicContact CD1-CD2 3.6Å; I486-L571 HydrophobicContact CG2-CD2 4.32Å; I486-L571 HydrophobicContact CG2-CG 4.39Å; I486-V575 HydrophobicContact CD1-CG2 4.18Å
487R90.3Very high85.9Confident102 Ų10250.3 Ų50.339%0.38529%0.29SS..Hα-helixtrans-63.2-35.1178.8-73.5177.1-174.4990.5112.4A483 L484 S489 V567 L598A483-R487 VanDerWaalsContact C-NH1 3.33Å; A483-R487 VanDerWaalsContact O-CG 3.27Å; A483-R487 WeakPolarHBondContact O-CG 3.23Å; A483-R487 PolarHBondContact O-N 3.11Å; A483-R487 PolarHBondContact O-NH1 2.98Å; A483-R487 VanDerWaalsContact O-NH1 3.11Å; L484-R487 PolarHBondContact O-N 3.07Å; R487-S489 PolarHBondContact O-N 3.44Å; R487-V567 HydrophobicContact CG-CG1 4.09Å; R487-L598 PolarHBondContact NH2-O 3.37Å
488N87.5Confident85.6Confident124 Ų12450 Ų5066%0.66328%0.281SS*.THydrogen-bonded Turntrans-82.46177.8-65.9-15.6000113.4L484 A485 I486 A490L484-N488 WeakPolarHBondContact O-CB 3.43Å; L484-N488 VanDerWaalsContact O-CG 3.31Å; L484-N488 PolarHBondContact O-N 2.79Å; L484-N488 PolarHBondContact O-ND2 2.89Å; A485-N488 PolarHBondContact O-N 3.07Å; I486-N488 VanDerWaalsContact C-N 3.28Å; I486-N488 PolarHBondContact O-N 3.15Å; N488-A490 PolarHBondContact O-N 3.07Å; N488-A490 VanDerWaalsContact O-N 3.16Å
489S76.9Confident85.3Confident89 Ų8950.7 Ų50.762%0.62229%0.286SS*.THydrogen-bonded Turntrans53.730.6-177.3-55.50000114.3A485 I486 R487A485-S489 PolarHBondContact O-N 3.02Å; I486-S489 PolarHBondContact O-N 3.21Å; I486-S489 VanDerWaalsContact O-N 3.12Å; R487-S489 PolarHBondContact O-N 3.44Å
490A68.9Low85Confident73 Ų7350.8 Ų50.860%0.60329%0.286SS*.  trans-86-3.5-174.200000114.2A485 N488A485-A490 HydrophobicContact CB-CB 4.5Å; A485-A490 PolarHBondContact O-N 3.04Å; N488-A490 PolarHBondContact O-N 3.07Å; N488-A490 VanDerWaalsContact O-N 3.16Å
491L65.9Low84.6Confident41 Ų4153.8 Ų53.822%0.21530%0.3CS..SBendtrans-108.2143-173.8-65.6175.1000113I450 L482 A485 I486I450-L491 HydrophobicContact CD1-CB 4.33Å; I450-L491 HydrophobicContact CG1-CB 4.48Å; I450-L491 HydrophobicContact CG2-CD1 4.45Å; L482-L491 HydrophobicContact CD1-CD1 3.54Å; A485-L491 HydrophobicContact CB-CD1 4.1Å; A485-L491 HydrophobicContact CB-CD2 4.37Å; A485-L491 HydrophobicContact CB-CG 4.03Å; I486-L491 HydrophobicContact CG1-CD1 3.63Å
492P59.7Low84.3Confident98 Ų9852.7 Ų52.764%0.63629%0.293SS*.SBendtrans-73.4134.5177.428.9-32.1000111.5
493S72.9Confident84.1Confident43 Ų4355.6 Ų55.630%0.30131%0.308SS..  trans57120.7164.8-168.60000118.4E449 C495E449-S493 WeakPolarHBondContact OE2-CB 3.5Å; S493-C495 PolarHBondContact OG-N 3.35Å; S493-C495 PolarHBondContact OG-SG 3.05Å
494Y85.9Confident84Confident14 Ų1455.7 Ų55.76%0.05531%0.309CS..  trans-99.910.7174-70.4-95.1000112.3I450 I486 I565 Y570I450-Y494 HydrophobicContact CD1-CD1 3.42Å; I450-Y494 VanDerWaalsContact CD1-CD1 3.42Å; I450-Y494 HydrophobicContact CD1-CD2 4.16Å; I450-Y494 HydrophobicContact CD1-CE1 3.26Å; I450-Y494 HydrophobicContact CD1-CE2 4.03Å; I450-Y494 HydrophobicContact CD1-CG 3.89Å; I486-Y494 HydrophobicContact CG2-CE1 4.08Å; I486-Y494 PolarHBondContact O-OH 3.34Å; Y494-I565 HydrophobicContact CD1-CG2 3.76Å; Y494-I565 HydrophobicContact CD2-CD1 3.5Å; Y494-I565 HydrophobicContact CD2-CG1 4.49Å; Y494-I565 HydrophobicContact CD2-CG2 4.23Å; Y494-I565 HydrophobicContact CE1-CG2 4.03Å; Y494-I565 HydrophobicContact CE2-CD1 3.83Å; Y494-I565 HydrophobicContact CE2-CG2 4.47Å; Y494-I565 HydrophobicContact CG-CD1 4.1Å; Y494-I565 HydrophobicContact CG-CG2 3.85Å; Y494-Y570 AromaticContact CD1-CD1 3.82Å; Y494-Y570 HydrophobicContact CD1-CD1 3.82Å; Y494-Y570 AromaticContact CD1-CD2 3.65Å; Y494-Y570 HydrophobicContact CD1-CD2 3.65Å; Y494-Y570 AromaticContact CD1-CE1 4Å; Y494-Y570 HydrophobicContact CD1-CE1 4Å; Y494-Y570 AromaticContact CD1-CE2 3.9Å; Y494-Y570 HydrophobicContact CD1-CE2 3.9Å; Y494-Y570 AromaticContact CD1-CG 3.64Å; Y494-Y570 HydrophobicContact CD1-CG 3.64Å; Y494-Y570 HydrophobicContact CE1-CD2 4.28Å; Y494-Y570 HydrophobicContact CE1-CG 4.23Å; Y494-Y570 HydrophobicContact CG-CE1 4.44Å; Y494-Y570 HydrophobicContact CG-CE2 4.38Å; Y494-Y570 WeakPolarHBondContact O-CE1 3.31Å; Y494-Y570 VanDerWaalsContact O-CZ 3.28Å; Y494-Y570 PolarHBondContact O-OH 3.32Å
495C88.5Confident84Confident3 Ų353.5 Ų53.52%0.0231%0.306CS..  trans-66.4137.6-168.4-67.60000113.2S448 S493 F497 L555S448-C495 WeakPolarHBondContact CA-O 3.47Å; S493-C495 PolarHBondContact OG-N 3.35Å; S493-C495 PolarHBondContact OG-SG 3.05Å; C495-F497 HydrophobicContact CB-CE2 3.81Å; C495-F497 HydrophobicContact CB-CZ 3.86Å; C495-L555 VanDerWaalsContact SG-CD1 3.51Å
496L89.7Confident84Confident1 Ų156.9 Ų56.91%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-109.1139.8170.7-66.9160000108.4D446 S448 D536 Y537 I539 Y569 Q574D446-L496 WeakPolarHBondContact O-CD2 3.29Å; S448-L496 VanDerWaalsContact N-CD2 3.32Å; L496-D536 CarbonylContact O-C 3.6Å; L496-D536 VanDerWaalsContact O-CA 3.28Å; L496-D536 WeakPolarHBondContact O-CA 3.26Å; L496-Y537 HydrophobicContact CB-CD1 4.4Å; L496-Y537 HydrophobicContact CB-CD2 4.26Å; L496-Y537 HydrophobicContact CB-CE1 4.03Å; L496-Y537 HydrophobicContact CB-CE2 3.9Å; L496-Y537 WeakPolarHBondContact CB-O 3.45Å; L496-Y537 HydrophobicContact CD1-CD2 4.16Å; L496-Y537 HydrophobicContact CD1-CE2 3.57Å; L496-Y537 HydrophobicContact CG-CE2 4.38Å; L496-Y537 PolarHBondContact N-O 3.47Å; L496-Y537 PolarHBondContact O-N 3.44Å; L496-I539 HydrophobicContact CD1-CD1 4.5Å; L496-I539 HydrophobicContact CD1-CG1 4.1Å; L496-Y569 HydrophobicContact CD1-CE1 4.3Å; L496-Q574 VanDerWaalsContact CD2-OE1 3.28Å
497F88.9Confident83.9Confident80 Ų8057.3 Ų57.335%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-121126.5-177.9-61.5-90.8000110.9R445 D446 C495 V534 V535 D536R445-F497 CarbonylContact C-O 3.51Å; R445-F497 VanDerWaalsContact C-O 3.23Å; R445-F497 HydrophobicContact CB-CB 4.17Å; R445-F497 WeakPolarHBondContact O-CB 3.32Å; R445-F497 PolarHBondContact O-N 2.84Å; R445-F497 VanDerWaalsContact O-N 3.15Å; D446-F497 WeakPolarHBondContact CA-O 3.34Å; D446-F497 PolarHBondContact N-O 2.96Å; C495-F497 HydrophobicContact CB-CE2 3.81Å; C495-F497 HydrophobicContact CB-CZ 3.86Å; F497-V534 HydrophobicContact CB-CG1 3.74Å; F497-V534 HydrophobicContact CD1-CG1 4.18Å; F497-V534 HydrophobicContact CG-CG1 4.46Å; F497-V535 WeakPolarHBondContact CA-O 3.33Å; F497-D536 HydrophobicContact CD1-CB 3.63Å; F497-D536 HydrophobicContact CE1-CB 3.49Å; F497-D536 VanDerWaalsContact CE1-CB 3.49Å; F497-D536 HydrophobicContact CZ-CB 4.33Å
498Q88.7Confident83.6Confident60 Ų6060.7 Ų60.728%0.2835%0.347SS..EExtended strand (participates in β ladder)trans-140.6131.6179.8-171168.1-2.300112.8H515 V535 Y537Q498-H515 HydrophobicContact CB-CB 3.76Å; Q498-H515 VanDerWaalsContact CD-CE1 3.47Å; Q498-H515 HydrophobicContact CG-CB 4.09Å; Q498-H515 PolarHBondContact NE2-CE1 2.9Å; Q498-H515 PolarHBondContact NE2-ND1 3.4Å; Q498-H515 PolarHBondContact OE1-ND1 3.24Å; Q498-H515 VanDerWaalsContact OE1-ND1 3.16Å; Q498-V535 PolarHBondContact N-O 3.43Å; Q498-V535 PolarHBondContact O-N 3.08Å; Q498-Y537 HydrophobicContact CB-CE1 4.16Å; Q498-Y537 PolarHBondContact OE1-OH 2.82Å
499Q87.3Confident83.6Confident55 Ų5558.9 Ų58.926%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-80.9134.5-177.7-166.2178.523.800112.4T501 G532 D533 V534Q499-T501 PolarHBondContact O-N 2.89Å; Q499-G532 VanDerWaalsContact CG-O 3.3Å; Q499-G532 WeakPolarHBondContact CG-O 3.44Å; Q499-G532 PolarHBondContact NE2-O 2.94Å; Q499-D533 CarbonylContact C-O 3.48Å; Q499-D533 VanDerWaalsContact CA-O 3.31Å; Q499-D533 WeakPolarHBondContact CA-O 3.28Å; Q499-V534 HydrophobicContact CB-CG2 4.25Å; Q499-V534 HydrophobicContact CG-CG2 4.32Å
500L88.7Confident84Confident1 Ų158.8 Ų58.81%0.00533%0.326CS..  trans-72.6109.7174.5-73.2166.4000111.3K502 P504 Y507 A519 F529 Q530 H531 G532 D533 V535L500-K502 WeakPolarHBondContact CB-O 3.24Å; L500-K502 PolarHBondContact O-N 3.33Å; L500-P504 HydrophobicContact CD1-CG 3.72Å; L500-P504 HydrophobicContact CD2-CG 4.13Å; L500-Y507 WeakPolarHBondContact CA-OH 3.47Å; L500-Y507 HydrophobicContact CD2-CE2 3.78Å; L500-A519 HydrophobicContact CD1-CB 3.97Å; L500-A519 HydrophobicContact CD2-CB 4.28Å; L500-F529 HydrophobicContact CD1-CB 3.85Å; L500-Q530 WeakPolarHBondContact CB-O 3.18Å; L500-Q530 WeakPolarHBondContact CD1-O 3.3Å; L500-H531 PolarHBondContact O-ND1 3.19Å; L500-G532 PolarHBondContact O-N 2.77Å; L500-D533 PolarHBondContact N-O 2.97Å; L500-V535 HydrophobicContact CD1-CG2 3.6Å; L500-V535 HydrophobicContact CD2-CG2 4.28Å; L500-V535 HydrophobicContact CG-CG2 3.72Å
501T86.3Confident84.6Confident87 Ų8757.7 Ų57.753%0.53432%0.317SS..SBendtrans-75.3-12.717764.10000113.8Q499 Y507 H531Q499-T501 PolarHBondContact O-N 2.89Å; T501-Y507 PolarHBondContact N-OH 2.92Å; T501-Y507 PolarHBondContact OG1-OH 2.88Å; T501-H531 PolarHBondContact O-CE1 3.11Å; T501-H531 VanDerWaalsContact O-CE1 3.25Å; T501-H531 PolarHBondContact O-ND1 3.26Å; T501-H531 VanDerWaalsContact O-ND1 3.11Å
502K86.6Confident85.4Confident100 Ų10057 Ų5744%0.43532%0.32SS..SBendtrans-147.7172.4176.1-57.9-180-176.5175.80108.2L500 D506 Y507L500-K502 WeakPolarHBondContact CB-O 3.24Å; L500-K502 PolarHBondContact O-N 3.33Å; K502-D506 HydrophobicContact CB-CB 4.1Å; K502-D506 HydrophobicContact CD-CB 4.33Å; K502-Y507 HydrophobicContact CB-CD2 4.21Å; K502-Y507 HydrophobicContact CB-CE2 3.89Å; K502-Y507 WeakPolarHBondContact O-CE2 3.46Å
503N88.5Confident86.7Confident66 Ų6655 Ų5535%0.35330%0.302SS..  trans-61.6144.2167.7-65.8-35.9000109.8A505 D506 Y507 H531N503-A505 PolarHBondContact O-N 2.88Å; N503-D506 WeakPolarHBondContact O-CB 3.25Å; N503-D506 PolarHBondContact O-N 3.48Å; N503-Y507 WeakPolarHBondContact O-CD2 3.43Å; N503-H531 WeakPolarHBondContact OD1-CB 3.32Å; N503-H531 PolarHBondContact OD1-N 2.68Å
504P90.1Very high87.6Confident4 Ų453.7 Ų53.73%0.02629%0.293CS..G310 helixtrans-52.2-35.3-176.8-27.833.8000113.8L500 D506 A519 L520 F529L500-P504 HydrophobicContact CD1-CG 3.72Å; L500-P504 HydrophobicContact CD2-CG 4.13Å; P504-D506 VanDerWaalsContact C-N 3.33Å; P504-D506 PolarHBondContact O-N 3.35Å; P504-A519 HydrophobicContact CB-CB 3.97Å; P504-A519 HydrophobicContact CG-CB 3.63Å; P504-L520 HydrophobicContact CB-CD2 3.74Å; P504-L520 HydrophobicContact CB-CG 3.69Å; P504-F529 WeakPolarHBondContact CD-O 3.49Å; P504-F529 HydrophobicContact CG-CB 4.42Å; P504-F529 WeakPolarHBondContact CG-O 3.33Å
505A91.2Very high87.9Confident59 Ų5953.2 Ų53.249%0.48829%0.291SS..G310 helixtrans-69-23.9178.400000114.8N503 K510 L520N503-A505 PolarHBondContact O-N 2.88Å; A505-K510 WeakPolarHBondContact O-CE 3.34Å; A505-K510 PolarHBondContact O-NZ 3Å; A505-K510 VanDerWaalsContact O-NZ 3.08Å; A505-L520 HydrophobicContact CB-CD2 4.49Å
506D90.7Very high88.1Confident94 Ų9453.1 Ų53.150%0.50329%0.29SS..G310 helixtrans-88.7-1.5-174.7-67.2-27.9000113.6K502 N503 P504K502-D506 HydrophobicContact CB-CB 4.1Å; K502-D506 HydrophobicContact CD-CB 4.33Å; N503-D506 WeakPolarHBondContact O-CB 3.25Å; N503-D506 PolarHBondContact O-N 3.48Å; P504-D506 VanDerWaalsContact C-N 3.33Å; P504-D506 PolarHBondContact O-N 3.35Å
507Y88.1Confident88.3Confident10 Ų1053.9 Ų53.94%0.03930%0.297CS..  trans-73.4132.3173.2-78.5-97.7000110.4L500 T501 K502 N503 K510 Q513 H515 A516L500-Y507 WeakPolarHBondContact CA-OH 3.47Å; L500-Y507 HydrophobicContact CD2-CE2 3.78Å; T501-Y507 PolarHBondContact N-OH 2.92Å; T501-Y507 PolarHBondContact OG1-OH 2.88Å; K502-Y507 HydrophobicContact CB-CD2 4.21Å; K502-Y507 HydrophobicContact CB-CE2 3.89Å; K502-Y507 WeakPolarHBondContact O-CE2 3.46Å; N503-Y507 WeakPolarHBondContact O-CD2 3.43Å; Y507-K510 VanDerWaalsContact O-CE 3.28Å; Y507-K510 WeakPolarHBondContact O-CE 3.37Å; Y507-K510 WeakPolarHBondContact O-CG 3.44Å; Y507-Q513 VanDerWaalsContact CD1-OE1 3.23Å; Y507-H515 AromaticContact CE1-NE2 3.84Å; Y507-H515 AromaticContact CZ-NE2 3.8Å; Y507-H515 PolarHBondContact OH-NE2 3.44Å; Y507-A516 HydrophobicContact CD1-CB 4.16Å; Y507-A516 HydrophobicContact CD2-CB 4Å; Y507-A516 HydrophobicContact CE1-CB 4.43Å; Y507-A516 HydrophobicContact CE2-CB 4.29Å; Y507-A516 HydrophobicContact CG-CB 3.91Å
508L85.5Confident88.6Confident173 Ų17350.1 Ų50.191%0.90628%0.28SS*.SBendtrans-72.5-43.4179.3-66.8173.5000111.7
509D86Confident88.9Confident86 Ų8647.2 Ų47.246%0.4627%0.267SS..  trans-112.483.7176.9-179.815.6000109.1G512 Q513D509-G512 PolarHBondContact OD1-N 3.27Å; D509-Q513 PolarHBondContact O-NE2 3.2Å
510K86Confident89.2Confident86 Ų8647.1 Ų47.137%0.37427%0.268SS..SBendtrans-69.2-41.7-178.5-63.8164.5178.6-178.50110.9A505 Y507 Q513 A517 L520A505-K510 WeakPolarHBondContact O-CE 3.34Å; A505-K510 PolarHBondContact O-NZ 3Å; A505-K510 VanDerWaalsContact O-NZ 3.08Å; Y507-K510 VanDerWaalsContact O-CE 3.28Å; Y507-K510 WeakPolarHBondContact O-CE 3.37Å; Y507-K510 WeakPolarHBondContact O-CG 3.44Å; K510-Q513 PolarHBondContact O-N 3.33Å; K510-Q513 VanDerWaalsContact O-O 3.13Å; K510-A517 WeakPolarHBondContact O-CB 3.47Å; K510-L520 HydrophobicContact CB-CD1 3.95Å; K510-L520 HydrophobicContact CD-CD1 3.61Å; K510-L520 HydrophobicContact CG-CD1 3.8Å
511A81Confident89.5Confident51 Ų5150.4 Ų50.442%0.42128%0.28SS..THydrogen-bonded Turntrans-75.7-31.1-175.900000113.3Q513 K550A511-Q513 VanDerWaalsContact C-N 3.26Å; A511-Q513 PolarHBondContact O-N 3.4Å; A511-K550 WeakPolarHBondContact O-CG 3.35Å
512G82.6Confident89.8Confident26 Ų2646.2 Ų46.227%0.26825%0.254SS..THydrogen-bonded Turntrans-77.5-8.3175.100000114.3D509D509-G512 PolarHBondContact OD1-N 3.27Å
513Q87.8Confident90Very high56 Ų5643.8 Ų43.826%0.26225%0.246SC..  trans-117.4100.5-177.6-75.3176.380.800110.6Y507 D509 K510 A511 H515 A516 A517Y507-Q513 VanDerWaalsContact CD1-OE1 3.23Å; D509-Q513 PolarHBondContact O-NE2 3.2Å; K510-Q513 PolarHBondContact O-N 3.33Å; K510-Q513 VanDerWaalsContact O-O 3.13Å; A511-Q513 VanDerWaalsContact C-N 3.26Å; A511-Q513 PolarHBondContact O-N 3.4Å; Q513-H515 PolarHBondContact O-N 2.75Å; Q513-A516 HydrophobicContact CB-CB 4.03Å; Q513-A516 PolarHBondContact O-N 2.65Å; Q513-A517 PolarHBondContact O-N 2.81Å
514P91.8Very high90.1Very high16 Ų1645.5 Ų45.510%0.10426%0.263CS..Hα-helixtrans-55.6-49.7-168.319.8-33.2000113A516 A517 V518 Y537 A552P514-A516 VanDerWaalsContact C-N 3.29Å; P514-A516 PolarHBondContact O-N 2.98Å; P514-A517 PolarHBondContact O-N 3.49Å; P514-A517 VanDerWaalsContact O-N 3.15Å; P514-V518 VanDerWaalsContact O-CG2 3.31Å; P514-V518 WeakPolarHBondContact O-CG2 3.47Å; P514-V518 PolarHBondContact O-N 3.05Å; P514-Y537 HydrophobicContact CB-CD2 4.17Å; P514-Y537 HydrophobicContact CB-CE2 3.67Å; P514-Y537 HydrophobicContact CG-CE2 3.9Å; P514-Y537 WeakPolarHBondContact CG-OH 3.39Å; P514-A552 HydrophobicContact CB-CB 3.27Å
515H91.9Very high89.9Confident4 Ų450.5 Ų50.52%0.01929%0.288CS..Hα-helixtrans-57.9-34.4177.166.5-71.3000114.4Q498 Y507 Q513 A519 V535 Y537Q498-H515 HydrophobicContact CB-CB 3.76Å; Q498-H515 VanDerWaalsContact CD-CE1 3.47Å; Q498-H515 HydrophobicContact CG-CB 4.09Å; Q498-H515 PolarHBondContact NE2-CE1 2.9Å; Q498-H515 PolarHBondContact NE2-ND1 3.4Å; Q498-H515 PolarHBondContact OE1-ND1 3.24Å; Q498-H515 VanDerWaalsContact OE1-ND1 3.16Å; Y507-H515 AromaticContact CE1-NE2 3.84Å; Y507-H515 AromaticContact CZ-NE2 3.8Å; Y507-H515 PolarHBondContact OH-NE2 3.44Å; Q513-H515 PolarHBondContact O-N 2.75Å; H515-A519 VanDerWaalsContact O-CB 3.23Å; H515-A519 WeakPolarHBondContact O-CB 3.34Å; H515-A519 PolarHBondContact O-N 3.38Å; H515-A519 VanDerWaalsContact O-N 3.09Å; H515-V535 HydrophobicContact CB-CB 4.22Å; H515-Y537 HydrophobicContact CB-CD1 4.35Å; H515-Y537 HydrophobicContact CB-CE1 3.94Å
516A93.7Very high89.5Confident0 Ų050.4 Ų50.40%029%0.292CS..Hα-helixtrans-76.2-38.5177.400000111.4Y507 Q513 P514 L520Y507-A516 HydrophobicContact CD1-CB 4.16Å; Y507-A516 HydrophobicContact CD2-CB 4Å; Y507-A516 HydrophobicContact CE1-CB 4.43Å; Y507-A516 HydrophobicContact CE2-CB 4.29Å; Y507-A516 HydrophobicContact CG-CB 3.91Å; Q513-A516 HydrophobicContact CB-CB 4.03Å; Q513-A516 PolarHBondContact O-N 2.65Å; P514-A516 VanDerWaalsContact C-N 3.29Å; P514-A516 PolarHBondContact O-N 2.98Å; A516-L520 WeakPolarHBondContact O-CG 3.44Å; A516-L520 PolarHBondContact O-N 2.8Å; A516-L520 VanDerWaalsContact O-N 3.12Å
517A93.6Very high89.2Confident18 Ų1848 Ų4815%0.14928%0.278CS..Hα-helixtrans-64.3-47.9174.900000111.8K510 Q513 P514 L520 R521K510-A517 WeakPolarHBondContact O-CB 3.47Å; Q513-A517 PolarHBondContact O-N 2.81Å; P514-A517 PolarHBondContact O-N 3.49Å; P514-A517 VanDerWaalsContact O-N 3.15Å; A517-L520 PolarHBondContact O-N 3.43Å; A517-R521 PolarHBondContact O-N 3.45Å; A517-R521 VanDerWaalsContact O-N 3.12Å
518V95Very high89Confident0 Ų052.9 Ų52.90%030%0.301CS..Hα-helixtrans-60.2-49.5177.2174.20000110.2P514 L520 R521 M522 V535 Y537 A552 H554P514-V518 VanDerWaalsContact O-CG2 3.31Å; P514-V518 WeakPolarHBondContact O-CG2 3.47Å; P514-V518 PolarHBondContact O-N 3.05Å; V518-L520 VanDerWaalsContact C-N 3.28Å; V518-L520 PolarHBondContact O-N 2.86Å; V518-R521 PolarHBondContact O-N 2.78Å; V518-R521 VanDerWaalsContact O-N 3.1Å; V518-M522 HydrophobicContact CG1-CG 4.02Å; V518-M522 WeakPolarHBondContact O-CB 3.19Å; V518-M522 VanDerWaalsContact O-CG 3.31Å; V518-M522 WeakPolarHBondContact O-CG 3.34Å; V518-M522 PolarHBondContact O-N 2.97Å; V518-V535 HydrophobicContact CB-CG1 4.04Å; V518-V535 HydrophobicContact CG1-CG1 3.77Å; V518-Y537 HydrophobicContact CG2-CG 4.42Å; V518-A552 HydrophobicContact CG2-CB 4.09Å; V518-A552 WeakPolarHBondContact CG2-O 3.34Å; V518-H554 HydrophobicContact CG1-CB 3.81Å
519A94.2Very high89.1Confident0 Ų046 Ų460%026%0.264CS..Hα-helixtrans-57.1-39.317800000113.3L500 P504 H515 N523 F529 V535L500-A519 HydrophobicContact CD1-CB 3.97Å; L500-A519 HydrophobicContact CD2-CB 4.28Å; P504-A519 HydrophobicContact CB-CB 3.97Å; P504-A519 HydrophobicContact CG-CB 3.63Å; H515-A519 VanDerWaalsContact O-CB 3.23Å; H515-A519 WeakPolarHBondContact O-CB 3.34Å; H515-A519 PolarHBondContact O-N 3.38Å; H515-A519 VanDerWaalsContact O-N 3.09Å; A519-N523 VanDerWaalsContact O-CB 3.29Å; A519-N523 WeakPolarHBondContact O-CB 3.24Å; A519-N523 PolarHBondContact O-N 3.19Å; A519-N523 PolarHBondContact O-OD1 2.81Å; A519-F529 HydrophobicContact CB-CB 3.79Å; A519-F529 HydrophobicContact CB-CD2 4.28Å; A519-F529 HydrophobicContact CB-CG 4.15Å; A519-V535 HydrophobicContact CB-CG1 4.44Å; A519-V535 HydrophobicContact CB-CG2 3.81Å
520L94.4Very high89.1Confident53 Ų5343.4 Ų43.428%0.27725%0.248SC..Hα-helixtrans-65.1-42.6176.4-77.7167.8000112.4P504 A505 K510 A516 A517 V518 N523 S524P504-L520 HydrophobicContact CB-CD2 3.74Å; P504-L520 HydrophobicContact CB-CG 3.69Å; A505-L520 HydrophobicContact CB-CD2 4.49Å; K510-L520 HydrophobicContact CB-CD1 3.95Å; K510-L520 HydrophobicContact CD-CD1 3.61Å; K510-L520 HydrophobicContact CG-CD1 3.8Å; A516-L520 WeakPolarHBondContact O-CG 3.44Å; A516-L520 PolarHBondContact O-N 2.8Å; A516-L520 VanDerWaalsContact O-N 3.12Å; A517-L520 PolarHBondContact O-N 3.43Å; V518-L520 VanDerWaalsContact C-N 3.28Å; V518-L520 PolarHBondContact O-N 2.86Å; L520-N523 PolarHBondContact O-N 3.05Å; L520-S524 PolarHBondContact O-N 3.36Å; L520-S524 VanDerWaalsContact O-N 3.13Å
521R93.8Very high89Confident69 Ų6944.3 Ų44.326%0.2625%0.254SS..Hα-helixtrans-67.9-45.1177.4-66.6-166.4-50.6-96.7-5.9111.3A517 V518 N523 S524 M525 A552 E557A517-R521 PolarHBondContact O-N 3.45Å; A517-R521 VanDerWaalsContact O-N 3.12Å; V518-R521 PolarHBondContact O-N 2.78Å; V518-R521 VanDerWaalsContact O-N 3.1Å; R521-N523 VanDerWaalsContact C-N 3.3Å; R521-N523 PolarHBondContact O-N 2.9Å; R521-S524 WeakPolarHBondContact O-CB 3.32Å; R521-S524 PolarHBondContact O-N 3.26Å; R521-S524 PolarHBondContact O-OG 2.83Å; R521-M525 PolarHBondContact O-N 3.26Å; R521-A552 PolarHBondContact NH2-O 2.78Å; R521-E557 IonicContact CZ-OE1 3.45Å; R521-E557 IonicContact CZ-OE2 2.96Å; R521-E557 IonicContact NE-OE1 2.73Å; R521-E557 PolarHBondContact NE-OE1 3.48Å; R521-E557 IonicContact NE-OE2 3.79Å; R521-E557 IonicContact NH2-OE1 2.73Å; R521-E557 PolarHBondContact NH2-OE1 3.34Å; R521-E557 IonicContact NH2-OE2 2.69Å; R521-E557 PolarHBondContact NH2-OE2 3.05Å
522M92.3Very high88.9Confident0 Ų042.7 Ų42.70%024%0.242CC..Hα-helixtrans-59.6-40.8175.1-67.7-56.7-71.300111.9V518 S524 M525 G526 H527 F529 H554 K556 E557V518-M522 HydrophobicContact CG1-CG 4.02Å; V518-M522 WeakPolarHBondContact O-CB 3.19Å; V518-M522 VanDerWaalsContact O-CG 3.31Å; V518-M522 WeakPolarHBondContact O-CG 3.34Å; V518-M522 PolarHBondContact O-N 2.97Å; M522-S524 VanDerWaalsContact C-N 3.28Å; M522-S524 PolarHBondContact O-N 3.44Å; M522-M525 CarbonylContact O-C 3.58Å; M522-M525 WeakPolarHBondContact O-CA 3.32Å; M522-M525 WeakPolarHBondContact O-CB 3.21Å; M522-M525 PolarHBondContact O-N 3.43Å; M522-M525 HydrophobicContact SD-SD 4.34Å; M522-G526 PolarHBondContact O-N 3.14Å; M522-H527 HydrophobicContact CB-CB 4.1Å; M522-H527 WeakPolarHBondContact CE-CD2 3.5Å; M522-H527 VanDerWaalsContact CE-NE2 3.28Å; M522-H527 WeakPolarHBondContact CE-NE2 3.38Å; M522-H527 WeakPolarHBondContact O-CB 3.45Å; M522-H527 PolarHBondContact O-N 3.12Å; M522-H527 VanDerWaalsContact O-N 3.09Å; M522-F529 HydrophobicContact CB-CD2 3.78Å; M522-F529 HydrophobicContact CB-CE2 3.64Å; M522-F529 HydrophobicContact CG-CE2 3.99Å; M522-H554 HydrophobicContact CE-CB 4.21Å; M522-H554 WeakPolarHBondContact CE-ND1 3.49Å; M522-H554 HydrophobicContact CG-CB 4.01Å; M522-H554 HydrophobicContact SD-CB 3.54Å; M522-H554 VanDerWaalsContact SD-CB 3.54Å; M522-K556 HydrophobicContact CE-CD 4.35Å; M522-E557 HydrophobicContact SD-CG 4.29Å
523N91.6Very high89Confident49 Ų4942.8 Ų42.826%0.26224%0.237SC..Hα-helixtrans-63.8-32.9175.3-72.93.3000113A519 L520 R521 M525 G526 H527 F529A519-N523 VanDerWaalsContact O-CB 3.29Å; A519-N523 WeakPolarHBondContact O-CB 3.24Å; A519-N523 PolarHBondContact O-N 3.19Å; A519-N523 PolarHBondContact O-OD1 2.81Å; L520-N523 PolarHBondContact O-N 3.05Å; R521-N523 VanDerWaalsContact C-N 3.3Å; R521-N523 PolarHBondContact O-N 2.9Å; N523-M525 PolarHBondContact O-N 2.9Å; N523-G526 PolarHBondContact O-N 2.96Å; N523-H527 VanDerWaalsContact CA-O 3.32Å; N523-H527 WeakPolarHBondContact CA-O 3.33Å; N523-H527 PolarHBondContact OD1-O 3.29Å; N523-F529 PolarHBondContact ND2-O 2.88Å; N523-F529 WeakPolarHBondContact OD1-CB 3.37Å; N523-F529 PolarHBondContact OD1-N 3.01Å
524S90.4Very high89Confident101 Ų10141.7 Ų41.771%0.70623%0.234SC*.Hα-helixtrans-69.5-21.3173.573.30000113.3L520 R521 M522 G526L520-S524 PolarHBondContact O-N 3.36Å; L520-S524 VanDerWaalsContact O-N 3.13Å; R521-S524 WeakPolarHBondContact O-CB 3.32Å; R521-S524 PolarHBondContact O-N 3.26Å; R521-S524 PolarHBondContact O-OG 2.83Å; M522-S524 VanDerWaalsContact C-N 3.28Å; M522-S524 PolarHBondContact O-N 3.44Å; S524-G526 VanDerWaalsContact C-N 3.33Å
525M86.4Confident88.8Confident110 Ų11041 Ų4154%0.54223%0.229SC..THydrogen-bonded Turntrans-89.47173.9-61.6176.7-179.400113.1R521 M522 N523 E557R521-M525 PolarHBondContact O-N 3.26Å; M522-M525 CarbonylContact O-C 3.58Å; M522-M525 WeakPolarHBondContact O-CA 3.32Å; M522-M525 WeakPolarHBondContact O-CB 3.21Å; M522-M525 PolarHBondContact O-N 3.43Å; M522-M525 HydrophobicContact SD-SD 4.34Å; N523-M525 PolarHBondContact O-N 2.9Å; M525-E557 HydrophobicContact CE-CG 4.29Å
526G82.8Confident88.8Confident56 Ų5642.4 Ų42.458%0.57724%0.237SC*.THydrogen-bonded Turntrans98-1.6177.300000115.4M522 N523 S524M522-G526 PolarHBondContact O-N 3.14Å; N523-G526 PolarHBondContact O-N 2.96Å; S524-G526 VanDerWaalsContact C-N 3.33Å
527H84.1Confident88.7Confident44 Ų4443 Ų4320%0.20424%0.239CC..  trans-71.5168.7169.3-64.8-94.2000111.4E123 M522 N523 F529E123-H527 IonicContact OE2-CE1 2.74Å; M522-H527 HydrophobicContact CB-CB 4.1Å; M522-H527 WeakPolarHBondContact CE-CD2 3.5Å; M522-H527 VanDerWaalsContact CE-NE2 3.28Å; M522-H527 WeakPolarHBondContact CE-NE2 3.38Å; M522-H527 WeakPolarHBondContact O-CB 3.45Å; M522-H527 PolarHBondContact O-N 3.12Å; M522-H527 VanDerWaalsContact O-N 3.09Å; N523-H527 VanDerWaalsContact CA-O 3.32Å; N523-H527 WeakPolarHBondContact CA-O 3.33Å; N523-H527 PolarHBondContact OD1-O 3.29Å; H527-F529 HydrophobicContact CB-CD2 4.36Å; H527-F529 HydrophobicContact CB-CE2 4.38Å
528H83.9Confident88.7Confident113 Ų11342.2 Ų42.252%0.52323%0.233SC..  trans-134.257.8-176.1-164.274.2000113.2Q530H528-Q530 PolarHBondContact O-N 3.23Å
529F87.9Confident88.7Confident29 Ų2942.2 Ų42.213%0.12723%0.233CC..  trans-69.1124.4170.2-71.3-71.3000111.3L500 P504 A519 M522 N523 H527 D533 V534 V535L500-F529 HydrophobicContact CD1-CB 3.85Å; P504-F529 WeakPolarHBondContact CD-O 3.49Å; P504-F529 HydrophobicContact CG-CB 4.42Å; P504-F529 WeakPolarHBondContact CG-O 3.33Å; A519-F529 HydrophobicContact CB-CB 3.79Å; A519-F529 HydrophobicContact CB-CD2 4.28Å; A519-F529 HydrophobicContact CB-CG 4.15Å; M522-F529 HydrophobicContact CB-CD2 3.78Å; M522-F529 HydrophobicContact CB-CE2 3.64Å; M522-F529 HydrophobicContact CG-CE2 3.99Å; N523-F529 PolarHBondContact ND2-O 2.88Å; N523-F529 WeakPolarHBondContact OD1-CB 3.37Å; N523-F529 PolarHBondContact OD1-N 3.01Å; H527-F529 HydrophobicContact CB-CD2 4.36Å; H527-F529 HydrophobicContact CB-CE2 4.38Å; F529-D533 HydrophobicContact CD1-CB 4.14Å; F529-V534 WeakPolarHBondContact CE1-O 3.48Å; F529-V535 HydrophobicContact CD1-CG2 3.82Å; F529-V535 HydrophobicContact CE1-CB 4.46Å; F529-V535 HydrophobicContact CE1-CG2 4.13Å; F529-V535 HydrophobicContact CG-CG2 4.2Å
530Q85.8Confident88.6Confident30 Ų3042.2 Ų42.214%0.1423%0.233CC..  trans-132.2-177.2178.356.5172.9-18.400112.2D41 L500 H528 G532 D533D41-Q530 PolarHBondContact O-NE2 3.37Å; D41-Q530 VanDerWaalsContact O-NE2 3.17Å; L500-Q530 WeakPolarHBondContact CB-O 3.18Å; L500-Q530 WeakPolarHBondContact CD1-O 3.3Å; H528-Q530 PolarHBondContact O-N 3.23Å; Q530-G532 PolarHBondContact O-N 3Å; Q530-D533 WeakPolarHBondContact CG-OD2 3.38Å; Q530-D533 PolarHBondContact N-OD2 3.34Å; Q530-D533 PolarHBondContact O-N 3.5Å; Q530-D533 VanDerWaalsContact O-N 3.15Å
531H83.5Confident88.5Confident105 Ų10543.7 Ų43.749%0.48624%0.24SC..THydrogen-bonded Turntrans-53.8126.9176.4172.350.7000111.7L500 T501 N503L500-H531 PolarHBondContact O-ND1 3.19Å; T501-H531 PolarHBondContact O-CE1 3.11Å; T501-H531 VanDerWaalsContact O-CE1 3.25Å; T501-H531 PolarHBondContact O-ND1 3.26Å; T501-H531 VanDerWaalsContact O-ND1 3.11Å; N503-H531 WeakPolarHBondContact OD1-CB 3.32Å; N503-H531 PolarHBondContact OD1-N 2.68Å
532G79.9Confident88.3Confident18 Ų1842.2 Ų42.219%0.18624%0.238CC..THydrogen-bonded Turntrans96.9-15.7178.500000113.7Q499 L500 Q530Q499-G532 VanDerWaalsContact CG-O 3.3Å; Q499-G532 WeakPolarHBondContact CG-O 3.44Å; Q499-G532 PolarHBondContact NE2-O 2.94Å; L500-G532 PolarHBondContact O-N 2.77Å; Q530-G532 PolarHBondContact O-N 3Å
533D83.9Confident88.1Confident27 Ų2746.2 Ų46.214%0.14428%0.279CS..PPolyproline II helixtrans-77.4152.9178.6-59.4-27.9000111.5K93 Q499 L500 F529 Q530K93-D533 IonicContact NZ-OD1 2.65Å; K93-D533 PolarHBondContact NZ-OD1 3.27Å; Q499-D533 CarbonylContact C-O 3.48Å; Q499-D533 VanDerWaalsContact CA-O 3.31Å; Q499-D533 WeakPolarHBondContact CA-O 3.28Å; L500-D533 PolarHBondContact N-O 2.97Å; F529-D533 HydrophobicContact CD1-CB 4.14Å; Q530-D533 WeakPolarHBondContact CG-OD2 3.38Å; Q530-D533 PolarHBondContact N-OD2 3.34Å; Q530-D533 PolarHBondContact O-N 3.5Å; Q530-D533 VanDerWaalsContact O-N 3.15Å
534V87.1Confident88Confident34 Ų3446.8 Ų46.821%0.20628%0.284CS..EExtended strand (participates in β ladder)trans-99.2124.5177.6-1790000107.8F497 Q499 F529F497-V534 HydrophobicContact CB-CG1 3.74Å; F497-V534 HydrophobicContact CD1-CG1 4.18Å; F497-V534 HydrophobicContact CG-CG1 4.46Å; Q499-V534 HydrophobicContact CB-CG2 4.25Å; Q499-V534 HydrophobicContact CG-CG2 4.32Å; F529-V534 WeakPolarHBondContact CE1-O 3.48Å
535V89.5Confident87.9Confident0 Ų048 Ų480%029%0.293CS..EExtended strand (participates in β ladder)trans-101.2126.3178.6-174.50000107.9F497 Q498 L500 H515 V518 A519 F529F497-V535 WeakPolarHBondContact CA-O 3.33Å; Q498-V535 PolarHBondContact N-O 3.43Å; Q498-V535 PolarHBondContact O-N 3.08Å; L500-V535 HydrophobicContact CD1-CG2 3.6Å; L500-V535 HydrophobicContact CD2-CG2 4.28Å; L500-V535 HydrophobicContact CG-CG2 3.72Å; H515-V535 HydrophobicContact CB-CB 4.22Å; V518-V535 HydrophobicContact CB-CG1 4.04Å; V518-V535 HydrophobicContact CG1-CG1 3.77Å; A519-V535 HydrophobicContact CB-CG1 4.44Å; A519-V535 HydrophobicContact CB-CG2 3.81Å; F529-V535 HydrophobicContact CD1-CG2 3.82Å; F529-V535 HydrophobicContact CE1-CB 4.46Å; F529-V535 HydrophobicContact CE1-CG2 4.13Å; F529-V535 HydrophobicContact CG-CG2 4.2Å
536D89.9Confident88Confident34 Ų3445.8 Ų45.818%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-93.5139.4171.264-52.4000111.1L496 F497 H554L496-D536 CarbonylContact O-C 3.6Å; L496-D536 VanDerWaalsContact O-CA 3.28Å; L496-D536 WeakPolarHBondContact O-CA 3.26Å; F497-D536 HydrophobicContact CD1-CB 3.63Å; F497-D536 HydrophobicContact CE1-CB 3.49Å; F497-D536 VanDerWaalsContact CE1-CB 3.49Å; F497-D536 HydrophobicContact CZ-CB 4.33Å; D536-H554 PolarHBondContact O-CD2 3.38Å; D536-H554 IonicContact OD1-CD2 3.66Å; D536-H554 PolarHBondContact OD1-CD2 2.87Å; D536-H554 IonicContact OD1-NE2 3.4Å; D536-H554 PolarHBondContact OD1-NE2 2.85Å; D536-H554 IonicContact OD2-CD2 2.58Å; D536-H554 IonicContact OD2-NE2 3.51Å; D536-H554 PolarHBondContact OD2-NE2 3.35Å
537Y92.4Very high88.2Confident12 Ų1246.7 Ų46.75%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-158161178.564-84.6000111.6L496 Q498 P514 H515 V518 I539 A552 Y553L496-Y537 HydrophobicContact CB-CD1 4.4Å; L496-Y537 HydrophobicContact CB-CD2 4.26Å; L496-Y537 HydrophobicContact CB-CE1 4.03Å; L496-Y537 HydrophobicContact CB-CE2 3.9Å; L496-Y537 WeakPolarHBondContact CB-O 3.45Å; L496-Y537 HydrophobicContact CD1-CD2 4.16Å; L496-Y537 HydrophobicContact CD1-CE2 3.57Å; L496-Y537 HydrophobicContact CG-CE2 4.38Å; L496-Y537 PolarHBondContact N-O 3.47Å; L496-Y537 PolarHBondContact O-N 3.44Å; Q498-Y537 HydrophobicContact CB-CE1 4.16Å; Q498-Y537 PolarHBondContact OE1-OH 2.82Å; P514-Y537 HydrophobicContact CB-CD2 4.17Å; P514-Y537 HydrophobicContact CB-CE2 3.67Å; P514-Y537 HydrophobicContact CG-CE2 3.9Å; P514-Y537 WeakPolarHBondContact CG-OH 3.39Å; H515-Y537 HydrophobicContact CB-CD1 4.35Å; H515-Y537 HydrophobicContact CB-CE1 3.94Å; V518-Y537 HydrophobicContact CG2-CG 4.42Å; Y537-I539 HydrophobicContact CD2-CD1 4.02Å; Y537-I539 HydrophobicContact CE2-CD1 3.93Å; Y537-A552 HydrophobicContact CD2-CB 3.62Å; Y537-A552 HydrophobicContact CE2-CB 4.11Å; Y537-A552 HydrophobicContact CG-CB 4.35Å; Y537-Y553 CarbonylContact C-O 3.44Å; Y537-Y553 VanDerWaalsContact CA-O 3.24Å; Y537-Y553 WeakPolarHBondContact CA-O 3.37Å; Y537-Y553 WeakPolarHBondContact CB-O 3.26Å
538V93.7Very high88.4Confident2 Ų245.6 Ų45.61%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-123.9156.8173.2-65.90000110.1A552 Y553 L555 V558 Y570V538-A552 CarbonylContact O-C 3.55Å; V538-A552 WeakPolarHBondContact O-CA 3.33Å; V538-Y553 PolarHBondContact N-O 2.67Å; V538-Y553 PolarHBondContact O-N 3.24Å; V538-L555 HydrophobicContact CG1-CD2 3.9Å; V538-L555 HydrophobicContact CG2-CD2 4.34Å; V538-V558 HydrophobicContact CG2-CG2 3.52Å; V538-Y570 WeakPolarHBondContact CA-OH 3.45Å
539I94.2Very high88.6Confident1 Ų143.2 Ų43.21%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-97.4122.7175-56.1-50.5000109.3L496 Y537 A548 R551 A552 D566 Y569 Y570L496-I539 HydrophobicContact CD1-CD1 4.5Å; L496-I539 HydrophobicContact CD1-CG1 4.1Å; Y537-I539 HydrophobicContact CD2-CD1 4.02Å; Y537-I539 HydrophobicContact CE2-CD1 3.93Å; I539-A548 HydrophobicContact CG2-CB 3.99Å; I539-R551 WeakPolarHBondContact CA-O 3.48Å; I539-A552 HydrophobicContact CD1-CB 3.62Å; I539-D566 HydrophobicContact CG2-CB 4.14Å; I539-D566 PolarHBondContact O-N 2.69Å; I539-Y569 HydrophobicContact CB-CD1 3.7Å; I539-Y569 HydrophobicContact CB-CE1 3.91Å; I539-Y569 HydrophobicContact CB-CG 4.16Å; I539-Y569 HydrophobicContact CG1-CD1 3.72Å; I539-Y569 HydrophobicContact CG1-CE1 3.35Å; I539-Y569 HydrophobicContact CG1-CE2 4.3Å; I539-Y569 HydrophobicContact CG1-CG 4.34Å; I539-Y569 HydrophobicContact CG2-CD1 4.02Å; I539-Y569 HydrophobicContact CG2-CD2 4.3Å; I539-Y569 HydrophobicContact CG2-CE1 4.45Å; I539-Y569 HydrophobicContact CG2-CG 3.94Å; I539-Y570 HydrophobicContact CB-CE2 4.23Å; I539-Y570 PolarHBondContact N-OH 3.29Å
540C93.6Very high88.6Confident0 Ų046.7 Ų46.70%029%0.286CS..EExtended strand (participates in β ladder)trans-119.1158.7-173.4-63.80000112.4R551 Y553 V558 L563 S564C540-R551 PolarHBondContact N-O 3.49Å; C540-R551 WeakPolarHBondContact O-CB 3.28Å; C540-R551 PolarHBondContact O-NH1 2.89Å; C540-Y553 HydrophobicContact CB-CD2 3.88Å; C540-Y553 HydrophobicContact CB-CE2 4.35Å; C540-V558 WeakPolarHBondContact SG-CG2 2.93Å; C540-L563 HydrophobicContact CB-CB 3.98Å; C540-L563 HydrophobicContact CB-CD1 4.35Å; C540-S564 CarbonylContact C-O 3.57Å; C540-S564 WeakPolarHBondContact CA-O 3.44Å; C540-S564 VanDerWaalsContact CB-O 3.22Å; C540-S564 WeakPolarHBondContact CB-O 3.48Å
541L92.5Very high88.9Confident84 Ų8446.5 Ų46.544%0.4428%0.284SS..EExtended strand (participates in β ladder)trans-84.8110.1164.3-59.4171.4000108S564 D566L541-S564 PolarHBondContact N-O 3.41Å; L541-D566 HydrophobicContact CD2-CB 3.94Å; L541-D566 HydrophobicContact CG-CB 4.03Å
542D89.1Confident89.4Confident37 Ų3741.6 Ų41.620%0.19826%0.262CS..  trans-101.911.3179.565.4-5.5000112.5T544 R551 Y553 L563D542-T544 PolarHBondContact O-N 3.09Å; D542-T544 WeakPolarHBondContact OD1-CB 3.4Å; D542-T544 PolarHBondContact OD1-N 3.23Å; D542-T544 PolarHBondContact OD1-OG1 3.41Å; D542-T544 PolarHBondContact OD2-OG1 3.08Å; D542-T544 VanDerWaalsContact OD2-OG1 3.04Å; D542-R551 WeakPolarHBondContact OD1-CD 3.35Å; D542-R551 WeakPolarHBondContact OD2-CG 3.34Å; D542-Y553 HydrophobicContact CB-CE2 4.09Å; D542-Y553 WeakPolarHBondContact CB-OH 3.34Å; D542-Y553 PolarHBondContact OD2-OH 2.79Å; D542-L563 HydrophobicContact CB-CD2 4.31Å
543G87.6Confident90.1Very high85 Ų8542.1 Ų42.188%0.87626%0.258SS*.SBendtrans75.6-2.8-174.600000114.6
544T89.8Confident90.5Very high60 Ų6041.6 Ų41.637%0.36826%0.255SS..SBendtrans-93.4151.2179.476.20000112D542 N546D542-T544 PolarHBondContact O-N 3.09Å; D542-T544 WeakPolarHBondContact OD1-CB 3.4Å; D542-T544 PolarHBondContact OD1-N 3.23Å; D542-T544 PolarHBondContact OD1-OG1 3.41Å; D542-T544 PolarHBondContact OD2-OG1 3.08Å; D542-T544 VanDerWaalsContact OD2-OG1 3.04Å; T544-N546 WeakPolarHBondContact CB-ND2 3.08Å; T544-N546 PolarHBondContact O-N 3.49Å; T544-N546 VanDerWaalsContact O-N 3.16Å; T544-N546 VanDerWaalsContact OG1-CB 3.27Å; T544-N546 WeakPolarHBondContact OG1-CB 3.32Å; T544-N546 PolarHBondContact OG1-N 3.42Å; T544-N546 PolarHBondContact OG1-ND2 3.3Å
545S87.8Confident90.4Very high128 Ų12843.2 Ų43.290%0.89526%0.262SS*.  trans-79.718.9170.267.40000112.7
546N88.2Confident90.2Very high63 Ų6345.7 Ų45.734%0.33727%0.273SS..  trans-69.4151.4-178.5-75.7-47000111.4T544 K550 R551T544-N546 WeakPolarHBondContact CB-ND2 3.08Å; T544-N546 PolarHBondContact O-N 3.49Å; T544-N546 VanDerWaalsContact O-N 3.16Å; T544-N546 VanDerWaalsContact OG1-CB 3.27Å; T544-N546 WeakPolarHBondContact OG1-CB 3.32Å; T544-N546 PolarHBondContact OG1-N 3.42Å; T544-N546 PolarHBondContact OG1-ND2 3.3Å; N546-K550 HydrophobicContact CB-CB 4.09Å; N546-K550 HydrophobicContact CB-CD 4.46Å; N546-R551 HydrophobicContact CB-CG 4.12Å; N546-R551 PolarHBondContact O-NE 3.45Å
547P86.9Confident90.2Very high74 Ų7444.2 Ų44.248%0.48127%0.265SS..  trans-60.2150.4172.127.3-35.4000110.6T549 K550P547-T549 PolarHBondContact O-N 2.74Å; P547-K550 HydrophobicContact CG-CD 4.29Å; P547-K550 HydrophobicContact CG-CG 4.26Å; P547-K550 PolarHBondContact O-N 3.21Å
548A88.8Confident90Very high22 Ų2244.6 Ų44.618%0.18227%0.268CS..G310 helixtrans-50.6-31.7-179.600000113.7I539 K550 R551 Y569I539-A548 HydrophobicContact CG2-CB 3.99Å; A548-K550 PolarHBondContact O-N 2.85Å; A548-R551 PolarHBondContact O-N 3.05Å; A548-R551 VanDerWaalsContact O-N 3.08Å; A548-Y569 HydrophobicContact CB-CD2 3.51Å; A548-Y569 HydrophobicContact CB-CE2 3.61Å; A548-Y569 HydrophobicContact CB-CG 4.45Å
549T87.6Confident89.7Confident62 Ų6251.6 Ų51.638%0.3830%0.301SS..G310 helixtrans-60.6-25.9177.252.50000114.4P547P547-T549 PolarHBondContact O-N 2.74Å
550K89.1Confident89.3Confident102 Ų10257.2 Ų57.244%0.44334%0.336SS..G310 helixtrans-94.6-14.2176.9-70.8-173.4178.7-175.30113.3A511 N546 P547 A548 A552A511-K550 WeakPolarHBondContact O-CG 3.35Å; N546-K550 HydrophobicContact CB-CB 4.09Å; N546-K550 HydrophobicContact CB-CD 4.46Å; P547-K550 HydrophobicContact CG-CD 4.29Å; P547-K550 HydrophobicContact CG-CG 4.26Å; P547-K550 PolarHBondContact O-N 3.21Å; A548-K550 PolarHBondContact O-N 2.85Å; K550-A552 VanDerWaalsContact C-N 3.32Å
551R92.7Very high89Confident27 Ų2761.7 Ų61.710%0.10236%0.357CS..SBendtrans-99.132.2-179-56.4-169.8-78.2109.2-6.5112.4I539 C540 D542 N546 A548 Y553 D566I539-R551 WeakPolarHBondContact CA-O 3.48Å; C540-R551 PolarHBondContact N-O 3.49Å; C540-R551 WeakPolarHBondContact O-CB 3.28Å; C540-R551 PolarHBondContact O-NH1 2.89Å; D542-R551 WeakPolarHBondContact OD1-CD 3.35Å; D542-R551 WeakPolarHBondContact OD2-CG 3.34Å; N546-R551 HydrophobicContact CB-CG 4.12Å; N546-R551 PolarHBondContact O-NE 3.45Å; A548-R551 PolarHBondContact O-N 3.05Å; A548-R551 VanDerWaalsContact O-N 3.08Å; R551-Y553 HydrophobicContact CB-CE2 4.41Å; R551-Y553 WeakPolarHBondContact O-CD2 3.47Å; R551-D566 IonicContact CZ-OD2 2.73Å; R551-D566 VanDerWaalsContact CZ-OD2 3.24Å; R551-D566 IonicContact NH1-OD2 2.72Å; R551-D566 PolarHBondContact NH1-OD2 3.49Å; R551-D566 IonicContact NH2-OD2 3.18Å; R551-D566 PolarHBondContact NH2-OD2 3.34Å
552A94Very high88.8Confident1 Ų163 Ų631%0.00837%0.372CS..EExtended strand (participates in β ladder)trans-94.8130.9178.100000110.2P514 V518 R521 Y537 V538 I539 K550P514-A552 HydrophobicContact CB-CB 3.27Å; V518-A552 HydrophobicContact CG2-CB 4.09Å; V518-A552 WeakPolarHBondContact CG2-O 3.34Å; R521-A552 PolarHBondContact NH2-O 2.78Å; Y537-A552 HydrophobicContact CD2-CB 3.62Å; Y537-A552 HydrophobicContact CE2-CB 4.11Å; Y537-A552 HydrophobicContact CG-CB 4.35Å; V538-A552 CarbonylContact O-C 3.55Å; V538-A552 WeakPolarHBondContact O-CA 3.33Å; I539-A552 HydrophobicContact CD1-CB 3.62Å; K550-A552 VanDerWaalsContact C-N 3.32Å
553Y93.8Very high88.8Confident29 Ų2962.7 Ų62.711%0.11437%0.371CS..EExtended strand (participates in β ladder)trans-137.6147.3-175.3-64.9-88.7000110.8Y537 V538 C540 D542 R551 E557 L563Y537-Y553 CarbonylContact C-O 3.44Å; Y537-Y553 VanDerWaalsContact CA-O 3.24Å; Y537-Y553 WeakPolarHBondContact CA-O 3.37Å; Y537-Y553 WeakPolarHBondContact CB-O 3.26Å; V538-Y553 PolarHBondContact N-O 2.67Å; V538-Y553 PolarHBondContact O-N 3.24Å; C540-Y553 HydrophobicContact CB-CD2 3.88Å; C540-Y553 HydrophobicContact CB-CE2 4.35Å; D542-Y553 HydrophobicContact CB-CE2 4.09Å; D542-Y553 WeakPolarHBondContact CB-OH 3.34Å; D542-Y553 PolarHBondContact OD2-OH 2.79Å; R551-Y553 HydrophobicContact CB-CE2 4.41Å; R551-Y553 WeakPolarHBondContact O-CD2 3.47Å; Y553-E557 WeakPolarHBondContact CA-OE2 3.3Å; Y553-E557 HydrophobicContact CD1-CB 4.2Å; Y553-L563 HydrophobicContact CD1-CD1 3.71Å; Y553-L563 HydrophobicContact CD2-CD1 3.81Å; Y553-L563 HydrophobicContact CE1-CD1 3.85Å; Y553-L563 HydrophobicContact CE2-CD1 3.97Å; Y553-L563 HydrophobicContact CG-CD1 3.68Å
554H91.5Very high88.9Confident16 Ų1661.8 Ų61.87%0.07435%0.351CS..  trans-72.4152.9169.3-172-90.6000110.3V518 M522 D536 K556 E557 V558V518-H554 HydrophobicContact CG1-CB 3.81Å; M522-H554 HydrophobicContact CE-CB 4.21Å; M522-H554 WeakPolarHBondContact CE-ND1 3.49Å; M522-H554 HydrophobicContact CG-CB 4.01Å; M522-H554 HydrophobicContact SD-CB 3.54Å; M522-H554 VanDerWaalsContact SD-CB 3.54Å; D536-H554 PolarHBondContact O-CD2 3.38Å; D536-H554 IonicContact OD1-CD2 3.66Å; D536-H554 PolarHBondContact OD1-CD2 2.87Å; D536-H554 IonicContact OD1-NE2 3.4Å; D536-H554 PolarHBondContact OD1-NE2 2.85Å; D536-H554 IonicContact OD2-CD2 2.58Å; D536-H554 IonicContact OD2-NE2 3.51Å; D536-H554 PolarHBondContact OD2-NE2 3.35Å; H554-K556 VanDerWaalsContact C-N 3.26Å; H554-K556 PolarHBondContact ND1-N 3.44Å; H554-K556 PolarHBondContact O-N 2.9Å; H554-E557 HydrophobicContact CB-CG 4.17Å; H554-E557 PolarHBondContact N-OE2 3.12Å; H554-E557 WeakPolarHBondContact O-CA 3.36Å; H554-E557 WeakPolarHBondContact O-CB 3.41Å; H554-E557 PolarHBondContact O-N 3.17Å; H554-V558 PolarHBondContact O-N 3.04Å; H554-V558 VanDerWaalsContact O-N 3.13Å
555L86.4Confident89Confident69 Ų6961.7 Ų61.736%0.36135%0.348SS..Hα-helixtrans-53-42.8-179.5-73.9177.1000112.9C495 V538 E557 V558 E559C495-L555 VanDerWaalsContact SG-CD1 3.51Å; V538-L555 HydrophobicContact CG1-CD2 3.9Å; V538-L555 HydrophobicContact CG2-CD2 4.34Å; L555-E557 VanDerWaalsContact C-N 3.3Å; L555-E557 PolarHBondContact O-N 3.22Å; L555-V558 WeakPolarHBondContact O-CA 3.33Å; L555-V558 VanDerWaalsContact O-CB 3.31Å; L555-V558 WeakPolarHBondContact O-CB 3.16Å; L555-V558 PolarHBondContact O-N 3.25Å; L555-E559 PolarHBondContact O-N 3.47Å
556K84.8Confident89.3Confident52 Ų5256.2 Ų56.223%0.22631%0.308CS..Hα-helixtrans-58.1-37.4173.7-63.5-172.4-177.2-164.90114.1E123 M522 H554 V558 T560E123-K556 WeakPolarHBondContact OE1-CE 3.36Å; E123-K556 IonicContact OE1-NZ 2.81Å; E123-K556 PolarHBondContact OE1-NZ 2.77Å; E123-K556 IonicContact OE2-NZ 3.67Å; E123-K556 PolarHBondContact OE2-NZ 3.38Å; M522-K556 HydrophobicContact CE-CD 4.35Å; H554-K556 VanDerWaalsContact C-N 3.26Å; H554-K556 PolarHBondContact ND1-N 3.44Å; H554-K556 PolarHBondContact O-N 2.9Å; K556-V558 VanDerWaalsContact C-N 3.31Å; K556-T560 WeakPolarHBondContact O-CB 3.37Å; K556-T560 PolarHBondContact O-N 3.09Å; K556-T560 PolarHBondContact O-OG1 2.99Å
557E89.6Confident89.5Confident3 Ų354.9 Ų54.91%0.01430%0.303CS..Hα-helixtrans-67.6-37175.9-63.6-178.7107.100110.5R521 M522 M525 Y553 H554 L555 T560 Q561R521-E557 IonicContact CZ-OE1 3.45Å; R521-E557 IonicContact CZ-OE2 2.96Å; R521-E557 IonicContact NE-OE1 2.73Å; R521-E557 PolarHBondContact NE-OE1 3.48Å; R521-E557 IonicContact NE-OE2 3.79Å; R521-E557 IonicContact NH2-OE1 2.73Å; R521-E557 PolarHBondContact NH2-OE1 3.34Å; R521-E557 IonicContact NH2-OE2 2.69Å; R521-E557 PolarHBondContact NH2-OE2 3.05Å; M522-E557 HydrophobicContact SD-CG 4.29Å; M525-E557 HydrophobicContact CE-CG 4.29Å; Y553-E557 WeakPolarHBondContact CA-OE2 3.3Å; Y553-E557 HydrophobicContact CD1-CB 4.2Å; H554-E557 HydrophobicContact CB-CG 4.17Å; H554-E557 PolarHBondContact N-OE2 3.12Å; H554-E557 WeakPolarHBondContact O-CA 3.36Å; H554-E557 WeakPolarHBondContact O-CB 3.41Å; H554-E557 PolarHBondContact O-N 3.17Å; L555-E557 VanDerWaalsContact C-N 3.3Å; L555-E557 PolarHBondContact O-N 3.22Å; E557-T560 PolarHBondContact O-N 3.23Å; E557-Q561 VanDerWaalsContact O-CB 3.22Å; E557-Q561 WeakPolarHBondContact O-CB 3.4Å; E557-Q561 WeakPolarHBondContact O-CG 3.43Å; E557-Q561 PolarHBondContact O-N 3.44Å
558V88.9Confident89.7Confident20 Ų2058.7 Ų58.712%0.12131%0.312CS..Hα-helixtrans-64.1-45.2177.4179.40000111.3V538 C540 H554 L555 K556 S562 L563V538-V558 HydrophobicContact CG2-CG2 3.52Å; C540-V558 WeakPolarHBondContact SG-CG2 2.93Å; H554-V558 PolarHBondContact O-N 3.04Å; H554-V558 VanDerWaalsContact O-N 3.13Å; L555-V558 WeakPolarHBondContact O-CA 3.33Å; L555-V558 VanDerWaalsContact O-CB 3.31Å; L555-V558 WeakPolarHBondContact O-CB 3.16Å; L555-V558 PolarHBondContact O-N 3.25Å; K556-V558 VanDerWaalsContact C-N 3.31Å; V558-S562 WeakPolarHBondContact O-CA 3.33Å; V558-S562 PolarHBondContact O-N 3.43Å; V558-L563 HydrophobicContact CG1-CB 4.19Å; V558-L563 VanDerWaalsContact CG1-O 3.31Å; V558-L563 WeakPolarHBondContact CG1-O 3.36Å; V558-L563 PolarHBondContact O-N 3.11Å; V558-L563 VanDerWaalsContact O-N 3.11Å
559E86.2Confident89.8Confident148 Ų14859.6 Ų59.669%0.69231%0.311SS*.Hα-helixtrans-62.9-47.6175.9-69.3169.5-177.500111.4L555 Q561L555-E559 PolarHBondContact O-N 3.47Å; E559-Q561 PolarHBondContact O-N 3.45Å
560T86.8Confident90.1Very high120 Ų12056.7 Ų56.774%0.73629%0.292SS*.Hα-helixtrans-67.9-36.8-177.2-52.40000112.4K556 E557K556-T560 WeakPolarHBondContact O-CB 3.37Å; K556-T560 PolarHBondContact O-N 3.09Å; K556-T560 PolarHBondContact O-OG1 2.99Å; E557-T560 PolarHBondContact O-N 3.23Å
561Q87.9Confident90.3Very high94 Ų9452 Ų5244%0.43927%0.272SS..Hα-helixtrans-98.31.3-176-62.1175.129.600113.2E557 E559 L563E557-Q561 VanDerWaalsContact O-CB 3.22Å; E557-Q561 WeakPolarHBondContact O-CB 3.4Å; E557-Q561 WeakPolarHBondContact O-CG 3.43Å; E557-Q561 PolarHBondContact O-N 3.44Å; E559-Q561 PolarHBondContact O-N 3.45Å; Q561-L563 HydrophobicContact CB-CD1 4.09Å; Q561-L563 HydrophobicContact CB-CD2 4.41Å; Q561-L563 HydrophobicContact CB-CG 3.79Å; Q561-L563 PolarHBondContact O-N 2.98Å
562S87.2Confident90.2Very high110 Ų11051.3 Ų51.377%0.76927%0.271SS*.THydrogen-bonded Turntrans50.842.5-176.4-60.30000113.1V558V558-S562 WeakPolarHBondContact O-CA 3.33Å; V558-S562 PolarHBondContact O-N 3.43Å
563L89.6Confident90Very high31 Ų3154.4 Ų54.416%0.16229%0.286CS..PPolyproline II helixtrans-78.3147-178.8-64.9171.1000111.1C540 D542 Y553 V558 Q561C540-L563 HydrophobicContact CB-CB 3.98Å; C540-L563 HydrophobicContact CB-CD1 4.35Å; D542-L563 HydrophobicContact CB-CD2 4.31Å; Y553-L563 HydrophobicContact CD1-CD1 3.71Å; Y553-L563 HydrophobicContact CD2-CD1 3.81Å; Y553-L563 HydrophobicContact CE1-CD1 3.85Å; Y553-L563 HydrophobicContact CE2-CD1 3.97Å; Y553-L563 HydrophobicContact CG-CD1 3.68Å; V558-L563 HydrophobicContact CG1-CB 4.19Å; V558-L563 VanDerWaalsContact CG1-O 3.31Å; V558-L563 WeakPolarHBondContact CG1-O 3.36Å; V558-L563 PolarHBondContact O-N 3.11Å; V558-L563 VanDerWaalsContact O-N 3.11Å; Q561-L563 HydrophobicContact CB-CD1 4.09Å; Q561-L563 HydrophobicContact CB-CD2 4.41Å; Q561-L563 HydrophobicContact CB-CG 3.79Å; Q561-L563 PolarHBondContact O-N 2.98Å
564S90.4Very high89.8Confident67 Ų6753.5 Ų53.547%0.46928%0.283SS..EExtended strand (participates in β ladder)trans-97.5148.7175.464.60000111.5C540 L541C540-S564 CarbonylContact C-O 3.57Å; C540-S564 WeakPolarHBondContact CA-O 3.44Å; C540-S564 VanDerWaalsContact CB-O 3.22Å; C540-S564 WeakPolarHBondContact CB-O 3.48Å; L541-S564 PolarHBondContact N-O 3.41Å
565I91.2Very high89.9Confident57 Ų5752.7 Ų52.729%0.29228%0.279SS..EExtended strand (participates in β ladder)trans-76137.3-179.4-67.7157.5000110.4Y494 V567 Y570Y494-I565 HydrophobicContact CD1-CG2 3.76Å; Y494-I565 HydrophobicContact CD2-CD1 3.5Å; Y494-I565 HydrophobicContact CD2-CG1 4.49Å; Y494-I565 HydrophobicContact CD2-CG2 4.23Å; Y494-I565 HydrophobicContact CE1-CG2 4.03Å; Y494-I565 HydrophobicContact CE2-CD1 3.83Å; Y494-I565 HydrophobicContact CE2-CG2 4.47Å; Y494-I565 HydrophobicContact CG-CD1 4.1Å; Y494-I565 HydrophobicContact CG-CG2 3.85Å; I565-V567 PolarHBondContact O-N 2.71Å; I565-Y570 HydrophobicContact CG2-CD2 3.86Å; I565-Y570 HydrophobicContact CG2-CE2 3.65Å
566D92.9Very high90.3Very high14 Ų1449.5 Ų49.58%0.07526%0.262CS..  trans-78.981.6176.4-173.7-15.3000111.2I539 L541 R551 K568 Y569 Y570I539-D566 HydrophobicContact CG2-CB 4.14Å; I539-D566 PolarHBondContact O-N 2.69Å; L541-D566 HydrophobicContact CD2-CB 3.94Å; L541-D566 HydrophobicContact CG-CB 4.03Å; R551-D566 IonicContact CZ-OD2 2.73Å; R551-D566 VanDerWaalsContact CZ-OD2 3.24Å; R551-D566 IonicContact NH1-OD2 2.72Å; R551-D566 PolarHBondContact NH1-OD2 3.49Å; R551-D566 IonicContact NH2-OD2 3.18Å; R551-D566 PolarHBondContact NH2-OD2 3.34Å; D566-K568 PolarHBondContact O-N 3.35Å; D566-K568 PolarHBondContact OD1-N 3.23Å; D566-Y569 VanDerWaalsContact CG-CB 3.48Å; D566-Y569 WeakPolarHBondContact O-CB 3.27Å; D566-Y569 PolarHBondContact O-N 3.46Å; D566-Y569 PolarHBondContact OD1-N 3.15Å; D566-Y570 VanDerWaalsContact O-CD2 3.24Å; D566-Y570 WeakPolarHBondContact O-CD2 3.45Å; D566-Y570 PolarHBondContact O-N 3.06Å
567V92.6Very high90.5Very high35 Ų3547 Ų4721%0.21225%0.251CS..Hα-helixtrans-52.4-38.9180168.90000112.5I486 R487 I565 Y569 Y570 L571I486-V567 HydrophobicContact CG2-CG1 3.77Å; I486-V567 HydrophobicContact CG2-CG2 4.49Å; R487-V567 HydrophobicContact CG-CG1 4.09Å; I565-V567 PolarHBondContact O-N 2.71Å; V567-Y569 VanDerWaalsContact C-N 3.34Å; V567-Y569 PolarHBondContact O-N 3.38Å; V567-Y570 PolarHBondContact O-N 3.21Å; V567-L571 HydrophobicContact CG1-CD1 3.85Å; V567-L571 HydrophobicContact CG1-CG 4.33Å; V567-L571 PolarHBondContact O-N 3.36Å
568K91.3Very high90.7Very high154 Ų15447 Ų4767%0.6725%0.251SS*.Hα-helixtrans-64.2-40179.9-176.5176.3-179.61740111.3D566 S572D566-K568 PolarHBondContact O-N 3.35Å; D566-K568 PolarHBondContact OD1-N 3.23Å; K568-S572 WeakPolarHBondContact O-CB 3.13Å; K568-S572 PolarHBondContact O-N 3.09Å; K568-S572 PolarHBondContact O-OG 3.47Å
569Y91.8Very high90.9Very high41 Ų4146.1 Ų46.116%0.16125%0.246CC..Hα-helixtrans-58.8-47.9173.7171.9-93.1000111.2L496 I539 A548 D566 V567 S572 Q573 Q574L496-Y569 HydrophobicContact CD1-CE1 4.3Å; I539-Y569 HydrophobicContact CB-CD1 3.7Å; I539-Y569 HydrophobicContact CB-CE1 3.91Å; I539-Y569 HydrophobicContact CB-CG 4.16Å; I539-Y569 HydrophobicContact CG1-CD1 3.72Å; I539-Y569 HydrophobicContact CG1-CE1 3.35Å; I539-Y569 HydrophobicContact CG1-CE2 4.3Å; I539-Y569 HydrophobicContact CG1-CG 4.34Å; I539-Y569 HydrophobicContact CG2-CD1 4.02Å; I539-Y569 HydrophobicContact CG2-CD2 4.3Å; I539-Y569 HydrophobicContact CG2-CE1 4.45Å; I539-Y569 HydrophobicContact CG2-CG 3.94Å; A548-Y569 HydrophobicContact CB-CD2 3.51Å; A548-Y569 HydrophobicContact CB-CE2 3.61Å; A548-Y569 HydrophobicContact CB-CG 4.45Å; D566-Y569 VanDerWaalsContact CG-CB 3.48Å; D566-Y569 WeakPolarHBondContact O-CB 3.27Å; D566-Y569 PolarHBondContact O-N 3.46Å; D566-Y569 PolarHBondContact OD1-N 3.15Å; V567-Y569 VanDerWaalsContact C-N 3.34Å; V567-Y569 PolarHBondContact O-N 3.38Å; Y569-S572 PolarHBondContact O-N 3.34Å; Y569-Q573 HydrophobicContact CD2-CB 3.85Å; Y569-Q573 HydrophobicContact CD2-CG 3.98Å; Y569-Q573 HydrophobicContact CE2-CB 3.78Å; Y569-Q573 HydrophobicContact CE2-CG 4.18Å; Y569-Q573 HydrophobicContact CG-CB 4.43Å; Y569-Q573 WeakPolarHBondContact O-CA 3.37Å; Y569-Q573 VanDerWaalsContact O-CB 3.25Å; Y569-Q573 WeakPolarHBondContact O-CB 2.98Å; Y569-Q573 PolarHBondContact O-N 3.28Å; Y569-Q574 HydrophobicContact CD1-CG 4.31Å; Y569-Q574 HydrophobicContact CE1-CG 3.74Å; Y569-Q574 PolarHBondContact O-N 2.97Å
570Y93Very high91.2Very high0 Ų039.1 Ų39.10%021%0.213CC..Iπ-helixtrans-66.5-41.6-178.4-72.9-85.2000112.7Y494 V538 I539 I565 D566 V567 Q574 V575Y494-Y570 AromaticContact CD1-CD1 3.82Å; Y494-Y570 HydrophobicContact CD1-CD1 3.82Å; Y494-Y570 AromaticContact CD1-CD2 3.65Å; Y494-Y570 HydrophobicContact CD1-CD2 3.65Å; Y494-Y570 AromaticContact CD1-CE1 4Å; Y494-Y570 HydrophobicContact CD1-CE1 4Å; Y494-Y570 AromaticContact CD1-CE2 3.9Å; Y494-Y570 HydrophobicContact CD1-CE2 3.9Å; Y494-Y570 AromaticContact CD1-CG 3.64Å; Y494-Y570 HydrophobicContact CD1-CG 3.64Å; Y494-Y570 HydrophobicContact CE1-CD2 4.28Å; Y494-Y570 HydrophobicContact CE1-CG 4.23Å; Y494-Y570 HydrophobicContact CG-CE1 4.44Å; Y494-Y570 HydrophobicContact CG-CE2 4.38Å; Y494-Y570 WeakPolarHBondContact O-CE1 3.31Å; Y494-Y570 VanDerWaalsContact O-CZ 3.28Å; Y494-Y570 PolarHBondContact O-OH 3.32Å; V538-Y570 WeakPolarHBondContact CA-OH 3.45Å; I539-Y570 HydrophobicContact CB-CE2 4.23Å; I539-Y570 PolarHBondContact N-OH 3.29Å; I565-Y570 HydrophobicContact CG2-CD2 3.86Å; I565-Y570 HydrophobicContact CG2-CE2 3.65Å; D566-Y570 VanDerWaalsContact O-CD2 3.24Å; D566-Y570 WeakPolarHBondContact O-CD2 3.45Å; D566-Y570 PolarHBondContact O-N 3.06Å; V567-Y570 PolarHBondContact O-N 3.21Å; Y570-Q574 HydrophobicContact CD1-CB 4.17Å; Y570-Q574 HydrophobicContact CD1-CG 3.81Å; Y570-Q574 HydrophobicContact CE1-CG 4.3Å; Y570-Q574 CarbonylContact O-C 3.58Å; Y570-Q574 WeakPolarHBondContact O-CA 3.48Å; Y570-Q574 VanDerWaalsContact O-CB 3.23Å; Y570-Q574 WeakPolarHBondContact O-CB 3.5Å; Y570-Q574 PolarHBondContact O-N 3.08Å; Y570-Q574 VanDerWaalsContact O-N 3.16Å; Y570-V575 PolarHBondContact O-N 3.25Å
571L92.7Very high91.4Very high4 Ų434.5 Ų34.52%0.02118%0.183CC..Iπ-helixtrans-64-49.7176-68.1171.7000111.9A483 I486 V567 Y576 L598 L600A483-L571 HydrophobicContact CB-CD2 4.08Å; I486-L571 HydrophobicContact CB-CD2 4.38Å; I486-L571 HydrophobicContact CD1-CD2 3.6Å; I486-L571 HydrophobicContact CG2-CD2 4.32Å; I486-L571 HydrophobicContact CG2-CG 4.39Å; V567-L571 HydrophobicContact CG1-CD1 3.85Å; V567-L571 HydrophobicContact CG1-CG 4.33Å; V567-L571 PolarHBondContact O-N 3.36Å; L571-Y576 WeakPolarHBondContact O-CB 3.23Å; L571-Y576 PolarHBondContact O-N 3.15Å; L571-L598 HydrophobicContact CD2-CD2 4.24Å; L571-L600 HydrophobicContact CB-CD2 4.25Å
572S90.8Very high91.6Very high12 Ų1230.2 Ų30.28%0.08416%0.163CC..Iπ-helixtrans-84.8-31.7-171.164.10000115.4K568 Y569 P577K568-S572 WeakPolarHBondContact O-CB 3.13Å; K568-S572 PolarHBondContact O-N 3.09Å; K568-S572 PolarHBondContact O-OG 3.47Å; Y569-S572 PolarHBondContact O-N 3.34Å; S572-P577 WeakPolarHBondContact O-CD 3.42Å; S572-P577 WeakPolarHBondContact O-CG 3.24Å
573Q89.7Confident91.9Very high66 Ų6625 Ų2531%0.30813%0.126SC..Iπ-helixtrans-113.6-11.1-172.9-60.9-67.4-35.900113.3W447 Y569 S685W447-Q573 WeakPolarHBondContact CZ3-O 3.48Å; Y569-Q573 HydrophobicContact CD2-CB 3.85Å; Y569-Q573 HydrophobicContact CD2-CG 3.98Å; Y569-Q573 HydrophobicContact CE2-CB 3.78Å; Y569-Q573 HydrophobicContact CE2-CG 4.18Å; Y569-Q573 HydrophobicContact CG-CB 4.43Å; Y569-Q573 WeakPolarHBondContact O-CA 3.37Å; Y569-Q573 VanDerWaalsContact O-CB 3.25Å; Y569-Q573 WeakPolarHBondContact O-CB 2.98Å; Y569-Q573 PolarHBondContact O-N 3.28Å; Q573-S685 PolarHBondContact NE2-O 3.14Å; Q573-S685 PolarHBondContact OE1-O 3.03Å
574Q91.5Very high91.8Very high10 Ų1026.5 Ų26.55%0.04713%0.132CC..Iπ-helixtrans-113.6-64.1176.8-64.1-69.3-5800112.2W447 S448 A451 L496 Y569 Y570 V578W447-Q574 VanDerWaalsContact CZ3-O 3.26Å; W447-Q574 WeakPolarHBondContact CZ3-O 3.37Å; S448-Q574 PolarHBondContact OG-OE1 3.3Å; A451-Q574 HydrophobicContact CB-CB 4.04Å; L496-Q574 VanDerWaalsContact CD2-OE1 3.28Å; Y569-Q574 HydrophobicContact CD1-CG 4.31Å; Y569-Q574 HydrophobicContact CE1-CG 3.74Å; Y569-Q574 PolarHBondContact O-N 2.97Å; Y570-Q574 HydrophobicContact CD1-CB 4.17Å; Y570-Q574 HydrophobicContact CD1-CG 3.81Å; Y570-Q574 HydrophobicContact CE1-CG 4.3Å; Y570-Q574 CarbonylContact O-C 3.58Å; Y570-Q574 WeakPolarHBondContact O-CA 3.48Å; Y570-Q574 VanDerWaalsContact O-CB 3.23Å; Y570-Q574 WeakPolarHBondContact O-CB 3.5Å; Y570-Q574 PolarHBondContact O-N 3.08Å; Y570-Q574 VanDerWaalsContact O-N 3.16Å; Q574-V578 WeakPolarHBondContact O-CG2 3.28Å
575V93.5Very high91.7Very high0 Ų024.8 Ų24.80%012%0.12CC..Iπ-helixtrans-70.5-57-175.41780000111.4I450 A454 L482 I486 Y570 V578 V579 L598I450-V575 HydrophobicContact CG2-CG2 3.86Å; A454-V575 HydrophobicContact CB-CG1 3.98Å; L482-V575 HydrophobicContact CD2-CG1 3.96Å; I486-V575 HydrophobicContact CD1-CG2 4.18Å; Y570-V575 PolarHBondContact O-N 3.25Å; V575-V578 PolarHBondContact O-N 2.99Å; V575-V579 HydrophobicContact CG1-CG2 4.28Å; V575-V579 WeakPolarHBondContact O-CG2 3.49Å; V575-V579 PolarHBondContact O-N 3.29Å; V575-V579 VanDerWaalsContact O-N 3.15Å; V575-L598 HydrophobicContact CG1-CD1 4.13Å; V575-L598 HydrophobicContact CG1-CD2 4.05Å
576Y93.3Very high91.6Very high1 Ų122.6 Ų22.60%0.00411%0.108CC..Hα-helixtrans-53.8-49.7-175.1172.9-99.7000113.2L571 V578 V579 A580 V591 L594 A595 L598 L600 Y605 I684L571-Y576 WeakPolarHBondContact O-CB 3.23Å; L571-Y576 PolarHBondContact O-N 3.15Å; Y576-V578 VanDerWaalsContact C-N 3.3Å; Y576-V578 PolarHBondContact O-N 2.85Å; Y576-V579 PolarHBondContact O-N 3.41Å; Y576-A580 HydrophobicContact CE1-CB 4.21Å; Y576-A580 HydrophobicContact CE2-CB 4.19Å; Y576-A580 WeakPolarHBondContact O-CB 3.21Å; Y576-A580 PolarHBondContact O-N 3.2Å; Y576-V591 HydrophobicContact CE2-CG1 4.2Å; Y576-V591 WeakPolarHBondContact CE2-O 3.3Å; Y576-V591 WeakPolarHBondContact OH-CG1 3.34Å; Y576-V591 PolarHBondContact OH-O 3.41Å; Y576-L594 HydrophobicContact CE2-CB 4.42Å; Y576-A595 HydrophobicContact CD2-CB 3.97Å; Y576-A595 HydrophobicContact CE2-CB 3.5Å; Y576-L598 HydrophobicContact CD2-CD1 4.07Å; Y576-L598 HydrophobicContact CG-CD1 4.37Å; Y576-L600 HydrophobicContact CD2-CD1 4.47Å; Y576-L600 HydrophobicContact CG-CD1 4.2Å; Y576-Y605 AromaticContact CD1-CD1 3.98Å; Y576-Y605 HydrophobicContact CD1-CD1 3.98Å; Y576-Y605 AromaticContact CD1-CE1 3.59Å; Y576-Y605 HydrophobicContact CD1-CE1 3.59Å; Y576-Y605 AromaticContact CE1-CD1 3.14Å; Y576-Y605 HydrophobicContact CE1-CD1 3.14Å; Y576-Y605 AromaticContact CE1-CE1 3.24Å; Y576-Y605 HydrophobicContact CE1-CE1 3.24Å; Y576-Y605 HydrophobicContact CE1-CG 4.01Å; Y576-Y605 HydrophobicContact CE2-CD1 4.42Å; Y576-Y605 HydrophobicContact CG-CE1 4.48Å; Y576-Y605 AromaticContact CZ-CD1 3.4Å; Y576-Y605 AromaticContact CZ-CE1 3.89Å; Y576-Y605 AromaticContact CZ-CG 3.8Å; Y576-Y605 WeakPolarHBondContact OH-CB 3.46Å; Y576-Y605 WeakPolarHBondContact OH-CD1 3.41Å; Y576-I684 HydrophobicContact CE1-CG2 3.73Å
577P90.6Very high91.2Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-64-33.5-176.8-24.636.8000114W447 S572 R581 S685W447-P577 HydrophobicContact CH2-CB 4.01Å; W447-P577 HydrophobicContact CZ3-CB 4.25Å; S572-P577 WeakPolarHBondContact O-CD 3.42Å; S572-P577 WeakPolarHBondContact O-CG 3.24Å; P577-R581 VanDerWaalsContact CB-NH1 3.35Å; P577-R581 WeakPolarHBondContact O-CB 3.41Å; P577-R581 VanDerWaalsContact O-CG 3.3Å; P577-R581 WeakPolarHBondContact O-CG 3.34Å; P577-R581 PolarHBondContact O-N 3.07Å; P577-R581 PolarHBondContact O-NE 2.9Å; P577-R581 PolarHBondContact O-NH1 3.19Å; P577-R581 PolarHBondContact O-NH2 3.04Å; P577-S685 VanDerWaalsContact CG-CB 3.42Å
578V92.4Very high90.7Very high3 Ų332 Ų322%0.01817%0.168CC..Hα-helixtrans-67.2-50.1177.8173.20000109.7D441 I442 W447 A451 Q574 V575 Y576 R581 L582D441-V578 HydrophobicContact CB-CG2 3.9Å; I442-V578 HydrophobicContact CG2-CG1 3.75Å; W447-V578 HydrophobicContact CD2-CG2 3.75Å; W447-V578 HydrophobicContact CE3-CG2 3.33Å; W447-V578 HydrophobicContact CG-CG2 4.47Å; W447-V578 HydrophobicContact CH2-CG2 4.2Å; W447-V578 HydrophobicContact CZ3-CG2 3.58Å; A451-V578 HydrophobicContact CB-CG2 4.26Å; Q574-V578 WeakPolarHBondContact O-CG2 3.28Å; V575-V578 PolarHBondContact O-N 2.99Å; Y576-V578 VanDerWaalsContact C-N 3.3Å; Y576-V578 PolarHBondContact O-N 2.85Å; V578-R581 PolarHBondContact O-N 3.32Å; V578-L582 HydrophobicContact CG1-CD1 4.07Å; V578-L582 WeakPolarHBondContact O-CG 3.47Å; V578-L582 PolarHBondContact O-N 2.86Å
579V94Very high90.4Very high2 Ų225.6 Ų25.61%0.01214%0.144CC..Hα-helixtrans-67.2-45.6-177.7178.40000111.2A454 V458 L479 V575 Y576 R581 L582 C583 L594A454-V579 HydrophobicContact CB-CG2 4.46Å; V458-V579 HydrophobicContact CG1-CG1 4.42Å; V458-V579 HydrophobicContact CG2-CG1 4.06Å; V458-V579 HydrophobicContact CG2-CG2 4.13Å; L479-V579 HydrophobicContact CD1-CG1 3.92Å; L479-V579 HydrophobicContact CD2-CG1 4.11Å; L479-V579 HydrophobicContact CD2-CG2 3.98Å; V575-V579 HydrophobicContact CG1-CG2 4.28Å; V575-V579 WeakPolarHBondContact O-CG2 3.49Å; V575-V579 PolarHBondContact O-N 3.29Å; V575-V579 VanDerWaalsContact O-N 3.15Å; Y576-V579 PolarHBondContact O-N 3.41Å; V579-R581 VanDerWaalsContact C-N 3.28Å; V579-R581 PolarHBondContact O-N 3.31Å; V579-L582 WeakPolarHBondContact O-CB 3.48Å; V579-L582 PolarHBondContact O-N 3.22Å; V579-C583 PolarHBondContact O-N 2.9Å; V579-L594 HydrophobicContact CG1-CD1 4.38Å
580A91.7Very high89.9Confident0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-54.3-42.6176.800000112.7Y576 E584 V591Y576-A580 HydrophobicContact CE1-CB 4.21Å; Y576-A580 HydrophobicContact CE2-CB 4.19Å; Y576-A580 WeakPolarHBondContact O-CB 3.21Å; Y576-A580 PolarHBondContact O-N 3.2Å; A580-E584 WeakPolarHBondContact O-CB 3.17Å; A580-E584 PolarHBondContact O-N 3Å; A580-V591 HydrophobicContact CB-CG1 3.38Å
581R90.8Very high89.4Confident24 Ų2427.9 Ų27.99%0.09116%0.159CC..Hα-helixtrans-70.9-30.6177.9-75.5-172.6-66.5-90.7-5.6113.2L413 D441 P577 V578 V579 D683L413-R581 WeakPolarHBondContact CD2-O 3.36Å; D441-R581 IonicContact OD2-CZ 3.81Å; D441-R581 IonicContact OD2-NE 2.78Å; D441-R581 PolarHBondContact OD2-NE 2.85Å; D441-R581 IonicContact OD2-NH2 3.61Å; D441-R581 PolarHBondContact OD2-NH2 3.27Å; P577-R581 VanDerWaalsContact CB-NH1 3.35Å; P577-R581 WeakPolarHBondContact O-CB 3.41Å; P577-R581 VanDerWaalsContact O-CG 3.3Å; P577-R581 WeakPolarHBondContact O-CG 3.34Å; P577-R581 PolarHBondContact O-N 3.07Å; P577-R581 PolarHBondContact O-NE 2.9Å; P577-R581 PolarHBondContact O-NH1 3.19Å; P577-R581 PolarHBondContact O-NH2 3.04Å; V578-R581 PolarHBondContact O-N 3.32Å; V579-R581 VanDerWaalsContact C-N 3.28Å; V579-R581 PolarHBondContact O-N 3.31Å; R581-D683 IonicContact NH1-OD1 3.51Å
582L93.4Very high88.9Confident4 Ų427.9 Ų27.92%0.02116%0.159CC..Hα-helixtrans-72.5-41.1177-71.2166.8000111.3L411 L413 L440 V458 V459 I462 V578 V579 P585L411-L582 HydrophobicContact CD2-CD2 3.96Å; L413-L582 HydrophobicContact CD1-CD2 4.15Å; L440-L582 HydrophobicContact CD1-CD2 4.36Å; V458-L582 HydrophobicContact CB-CD1 4.39Å; V458-L582 HydrophobicContact CG1-CB 4.19Å; V458-L582 HydrophobicContact CG1-CD1 4.14Å; V459-L582 HydrophobicContact CG2-CD1 3.96Å; V459-L582 HydrophobicContact CG2-CD2 3.64Å; V459-L582 HydrophobicContact CG2-CG 4.43Å; I462-L582 HydrophobicContact CD1-CB 4.12Å; V578-L582 HydrophobicContact CG1-CD1 4.07Å; V578-L582 WeakPolarHBondContact O-CG 3.47Å; V578-L582 PolarHBondContact O-N 2.86Å; V579-L582 WeakPolarHBondContact O-CB 3.48Å; V579-L582 PolarHBondContact O-N 3.22Å; L582-P585 WeakPolarHBondContact O-CD 3.44Å
583C92.7Very high88.8Confident0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-83.7-17.6-178.9-60.20000113.5V579 P585 I586 A589 L594V579-C583 PolarHBondContact O-N 2.9Å; C583-P585 VanDerWaalsContact C-CD 3.45Å; C583-P585 VanDerWaalsContact C-N 3.33Å; C583-I586 HydrophobicContact CB-CD1 4.45Å; C583-I586 WeakPolarHBondContact O-CB 3.47Å; C583-I586 PolarHBondContact O-N 3.34Å; C583-A589 HydrophobicContact CB-CB 4.1Å; C583-A589 WeakPolarHBondContact O-CB 3.47Å; C583-L594 HydrophobicContact CB-CD1 3.71Å
584E87.8Confident88.9Confident63 Ų6330.7 Ų30.729%0.29417%0.166SC..THydrogen-bonded Turntrans-48.6-40.6-178.2161171.3-149.500115.5A580 R607A580-E584 WeakPolarHBondContact O-CB 3.17Å; A580-E584 PolarHBondContact O-N 3Å; E584-R607 VanDerWaalsContact CB-NH2 3.27Å; E584-R607 IonicContact OE1-NH2 2.71Å
585P88.1Confident88.7Confident31 Ų3130.2 Ų30.220%0.20116%0.164CC..THydrogen-bonded Turntrans-87.51.1179.8-6.725.4000114.9L411 L413 L582 C583L411-P585 HydrophobicContact CD1-CG 4.24Å; L413-P585 HydrophobicContact CD2-CG 3.44Å; L413-P585 VanDerWaalsContact CD2-CG 3.44Å; L582-P585 WeakPolarHBondContact O-CD 3.44Å; C583-P585 VanDerWaalsContact C-CD 3.45Å; C583-P585 VanDerWaalsContact C-N 3.33Å
586I89.8Confident88.6Confident10 Ų1036.1 Ų36.15%0.05119%0.191CC..SBendtrans-86.7128.6-178.8-55.6178.2000108.5I462 V468 M471 L472 C583 G588 A589I462-I586 HydrophobicContact CD1-CD1 3.69Å; I462-I586 HydrophobicContact CG1-CD1 3.61Å; I462-I586 HydrophobicContact CG2-CD1 4.16Å; V468-I586 HydrophobicContact CG1-CG2 4.06Å; M471-I586 HydrophobicContact CE-CD1 4.04Å; M471-I586 HydrophobicContact CE-CG2 3.6Å; L472-I586 HydrophobicContact CD2-CG2 4.33Å; C583-I586 HydrophobicContact CB-CD1 4.45Å; C583-I586 WeakPolarHBondContact O-CB 3.47Å; C583-I586 PolarHBondContact O-N 3.34Å; I586-G588 PolarHBondContact O-N 3.14Å; I586-A589 HydrophobicContact CB-CB 4.11Å; I586-A589 WeakPolarHBondContact O-CB 3.39Å; I586-A589 PolarHBondContact O-N 3.24Å
587E84.6Confident88.5Confident177 Ų17737.7 Ų37.783%0.82720%0.202SC*.THydrogen-bonded Turntrans-63.7133.4175.2-166170-174.100110.3V468 A589V468-E587 WeakPolarHBondContact CG1-O 3.37Å; E587-A589 VanDerWaalsContact C-N 3.35Å; E587-A589 PolarHBondContact O-N 2.97Å
588G82.2Confident88.6Confident69 Ų6937.7 Ų37.771%0.71120%0.202SC*.THydrogen-bonded Turntrans86.2-10.9-17700000115.9I586 D590I586-G588 PolarHBondContact O-N 3.14Å; G588-D590 PolarHBondContact O-N 3.46Å
589A83.7Confident88.4Confident21 Ų2140 Ų4017%0.17423%0.226CC..  trans-76.2108.417900000112.6L472 C583 I586 E587L472-A589 HydrophobicContact CD2-CB 3.91Å; C583-A589 HydrophobicContact CB-CB 4.1Å; C583-A589 WeakPolarHBondContact O-CB 3.47Å; I586-A589 HydrophobicContact CB-CB 4.11Å; I586-A589 WeakPolarHBondContact O-CB 3.39Å; I586-A589 PolarHBondContact O-N 3.24Å; E587-A589 VanDerWaalsContact C-N 3.35Å; E587-A589 PolarHBondContact O-N 2.97Å
590D82.5Confident88.1Confident84 Ų8440.8 Ų40.845%0.44923%0.23SC..  trans-87.8112.4169.9-178.413000111.6G588 A592 R593 L594G588-D590 PolarHBondContact O-N 3.46Å; D590-A592 PolarHBondContact O-N 2.97Å; D590-A592 WeakPolarHBondContact OD1-CB 3.4Å; D590-A592 PolarHBondContact OD1-N 3.25Å; D590-R593 HydrophobicContact CB-CB 4.07Å; D590-R593 WeakPolarHBondContact O-CB 3.32Å; D590-R593 PolarHBondContact O-N 2.72Å; D590-L594 PolarHBondContact O-N 3.44Å
591V82Confident87.7Confident5 Ų545.4 Ų45.43%0.0326%0.255CS..Hα-helixtrans-66.6-23.6-179.6-154.20000112.9Y576 A580 A595Y576-V591 HydrophobicContact CE2-CG1 4.2Å; Y576-V591 WeakPolarHBondContact CE2-O 3.3Å; Y576-V591 WeakPolarHBondContact OH-CG1 3.34Å; Y576-V591 PolarHBondContact OH-O 3.41Å; A580-V591 HydrophobicContact CB-CG1 3.38Å; V591-A595 PolarHBondContact O-N 2.7Å
592A83.1Confident87.2Confident3 Ų346.1 Ų46.13%0.02526%0.262CS..Hα-helixtrans-71-43174.800000110.5D590 L594 A595 E596 P602 H606D590-A592 PolarHBondContact O-N 2.97Å; D590-A592 WeakPolarHBondContact OD1-CB 3.4Å; D590-A592 PolarHBondContact OD1-N 3.25Å; A592-L594 VanDerWaalsContact C-N 3.3Å; A592-L594 PolarHBondContact O-N 3.28Å; A592-A595 WeakPolarHBondContact O-CA 3.31Å; A592-A595 VanDerWaalsContact O-CB 3.27Å; A592-A595 WeakPolarHBondContact O-CB 3.28Å; A592-A595 PolarHBondContact O-N 3.17Å; A592-E596 PolarHBondContact O-N 3.32Å; A592-E596 VanDerWaalsContact O-N 3.08Å; A592-P602 HydrophobicContact CB-CB 4.22Å; A592-H606 VanDerWaalsContact CB-CE1 3.42Å; A592-H606 WeakPolarHBondContact CB-CE1 3.37Å
593R88.2Confident86.2Confident132 Ų13249.7 Ų49.750%0.49829%0.288SS..Hα-helixtrans-60.6-36.8174.2-165.3171.3177-170.4-7.8112.7M476 D590 A595 E596 C597M476-R593 HydrophobicContact SD-CG 3.95Å; M476-R593 PolarHBondContact SD-NE 3.12Å; M476-R593 VanDerWaalsContact SD-NE 3.39Å; D590-R593 HydrophobicContact CB-CB 4.07Å; D590-R593 WeakPolarHBondContact O-CB 3.32Å; D590-R593 PolarHBondContact O-N 2.72Å; R593-A595 VanDerWaalsContact C-N 3.27Å; R593-A595 PolarHBondContact O-N 3.15Å; R593-E596 WeakPolarHBondContact O-CB 3.26Å; R593-E596 PolarHBondContact O-N 3.42Å; R593-C597 PolarHBondContact O-N 3.18Å; R593-C597 PolarHBondContact O-SG 3.18Å
594L90.2Very high85.2Confident6 Ų654.1 Ų54.13%0.03132%0.319CS..Hα-helixtrans-61.6-34.3172.6-61.1177.2000112.7I475 M476 L479 Y576 V579 C583 D590 A592 L598I475-L594 HydrophobicContact CG2-CD2 4.28Å; M476-L594 HydrophobicContact CG-CD2 4.28Å; L479-L594 HydrophobicContact CD1-CB 4.39Å; L479-L594 HydrophobicContact CD1-CD2 3.75Å; Y576-L594 HydrophobicContact CE2-CB 4.42Å; V579-L594 HydrophobicContact CG1-CD1 4.38Å; C583-L594 HydrophobicContact CB-CD1 3.71Å; D590-L594 PolarHBondContact O-N 3.44Å; A592-L594 VanDerWaalsContact C-N 3.3Å; A592-L594 PolarHBondContact O-N 3.28Å; L594-L598 PolarHBondContact O-N 2.99Å
595A89.1Confident84.3Confident0 Ų053.1 Ų53.10%031%0.313CS..Hα-helixtrans-69.8-41.5175.700000111Y576 V591 A592 R593 L598 G599 L600 Y605Y576-A595 HydrophobicContact CD2-CB 3.97Å; Y576-A595 HydrophobicContact CE2-CB 3.5Å; V591-A595 PolarHBondContact O-N 2.7Å; A592-A595 WeakPolarHBondContact O-CA 3.31Å; A592-A595 VanDerWaalsContact O-CB 3.27Å; A592-A595 WeakPolarHBondContact O-CB 3.28Å; A592-A595 PolarHBondContact O-N 3.17Å; R593-A595 VanDerWaalsContact C-N 3.27Å; R593-A595 PolarHBondContact O-N 3.15Å; A595-L598 CarbonylContact O-C 3.56Å; A595-L598 PolarHBondContact O-N 3.12Å; A595-L598 VanDerWaalsContact O-N 3.11Å; A595-G599 PolarHBondContact O-N 2.85Å; A595-L600 HydrophobicContact CB-CB 4.18Å; A595-L600 WeakPolarHBondContact O-CB 3.43Å; A595-L600 PolarHBondContact O-N 2.85Å; A595-Y605 HydrophobicContact CB-CD2 3.5Å; A595-Y605 HydrophobicContact CB-CE2 4.01Å; A595-Y605 HydrophobicContact CB-CG 3.92Å
596E91Very high83.1Confident123 Ų12357.2 Ų57.258%0.57533%0.329SS*.Hα-helixtrans-60.6-43.5176.5-173.7179.1-164.400111.8A592 R593 L598 G599A592-E596 PolarHBondContact O-N 3.32Å; A592-E596 VanDerWaalsContact O-N 3.08Å; R593-E596 WeakPolarHBondContact O-CB 3.26Å; R593-E596 PolarHBondContact O-N 3.42Å; E596-L598 PolarHBondContact O-N 3.07Å; E596-G599 WeakPolarHBondContact O-CA 3.5Å; E596-G599 PolarHBondContact O-N 3.19Å
597C91.7Very high81.5Confident34 Ų3462 Ų6223%0.2335%0.346CS..Hα-helixtrans-59.1-30.9174.7-64.70000112.8L479 G480 R593 G599L479-C597 HydrophobicContact CB-CB 3.98Å; G480-C597 WeakPolarHBondContact CA-O 3.47Å; R593-C597 PolarHBondContact O-N 3.18Å; R593-C597 PolarHBondContact O-SG 3.18Å; C597-G599 PolarHBondContact O-N 3.38Å
598L91.5Very high79.5Confident1 Ų160.7 Ų60.71%0.00534%0.34CS..THydrogen-bonded Turntrans-82.2-0.2174.4-67172.8000112.8L479 A483 R487 L571 V575 Y576 L594 A595 E596 L600L479-L598 HydrophobicContact CB-CD2 4.07Å; L479-L598 HydrophobicContact CB-CG 4.43Å; L479-L598 HydrophobicContact CD2-CD2 4.07Å; A483-L598 HydrophobicContact CB-CD2 4.05Å; R487-L598 PolarHBondContact NH2-O 3.37Å; L571-L598 HydrophobicContact CD2-CD2 4.24Å; V575-L598 HydrophobicContact CG1-CD1 4.13Å; V575-L598 HydrophobicContact CG1-CD2 4.05Å; Y576-L598 HydrophobicContact CD2-CD1 4.07Å; Y576-L598 HydrophobicContact CG-CD1 4.37Å; L594-L598 PolarHBondContact O-N 2.99Å; A595-L598 CarbonylContact O-C 3.56Å; A595-L598 PolarHBondContact O-N 3.12Å; A595-L598 VanDerWaalsContact O-N 3.11Å; E596-L598 PolarHBondContact O-N 3.07Å; L598-L600 HydrophobicContact CB-CD1 4.15Å; L598-L600 HydrophobicContact CB-CG 4.13Å; L598-L600 HydrophobicContact CD1-CD1 4.47Å
599G88.6Confident77.5Confident50 Ų5063.7 Ų63.752%0.51534%0.338SS..THydrogen-bonded Turntrans66.936.1-174.700000113.1A595 E596 C597A595-G599 PolarHBondContact O-N 2.85Å; E596-G599 WeakPolarHBondContact O-CA 3.5Å; E596-G599 PolarHBondContact O-N 3.19Å; C597-G599 PolarHBondContact O-N 3.38Å
600L88.5Confident75.1Confident20 Ų2066.4 Ų66.411%0.10535%0.354CS..  trans-102.3152.2172.5-55.4172.4000109.5L571 Y576 A595 L598 P602 Y605L571-L600 HydrophobicContact CB-CD2 4.25Å; Y576-L600 HydrophobicContact CD2-CD1 4.47Å; Y576-L600 HydrophobicContact CG-CD1 4.2Å; A595-L600 HydrophobicContact CB-CB 4.18Å; A595-L600 WeakPolarHBondContact O-CB 3.43Å; A595-L600 PolarHBondContact O-N 2.85Å; L598-L600 HydrophobicContact CB-CD1 4.15Å; L598-L600 HydrophobicContact CB-CG 4.13Å; L598-L600 HydrophobicContact CD1-CD1 4.47Å; L600-P602 VanDerWaalsContact O-CD 3.3Å; L600-P602 WeakPolarHBondContact O-CD 3.48Å; L600-Y605 HydrophobicContact CB-CE2 3.84Å; L600-Y605 HydrophobicContact CD1-CE2 4.3Å
601D82.8Confident72.7Confident96 Ų9664.1 Ų64.151%0.51335%0.347SS..  trans-70.3113.2178.8175.15000111S603 S604 Y605D601-S603 PolarHBondContact O-N 3.02Å; D601-S603 VanDerWaalsContact OD1-CB 3.29Å; D601-S603 WeakPolarHBondContact OD1-CB 3.38Å; D601-S603 PolarHBondContact OD1-N 2.81Å; D601-S603 PolarHBondContact OD1-OG 2.77Å; D601-S603 PolarHBondContact OD2-OG 2.65Å; D601-S604 PolarHBondContact O-N 3.46Å; D601-Y605 WeakPolarHBondContact O-CD2 3.32Å; D601-Y605 WeakPolarHBondContact O-CE2 3.43Å
602P79Confident70.3Confident39 Ų3966.5 Ų66.525%0.25337%0.372SS..G310 helixtrans-64.8-23.1-17526.2-33.9000113.1A592 L600 S604 Y605 H606A592-P602 HydrophobicContact CB-CB 4.22Å; L600-P602 VanDerWaalsContact O-CD 3.3Å; L600-P602 WeakPolarHBondContact O-CD 3.48Å; P602-S604 PolarHBondContact O-N 3.43Å; P602-S604 VanDerWaalsContact O-N 3.13Å; P602-Y605 PolarHBondContact O-N 3.01Å; P602-H606 PolarHBondContact O-CD2 3.18Å; P602-H606 PolarHBondContact O-N 3.42Å
603S74.1Confident68.2Low79 Ų7973 Ų7355%0.55241%0.405SS*.G310 helixtrans-58.2-31.3-178.7720000113D601 Y605D601-S603 PolarHBondContact O-N 3.02Å; D601-S603 VanDerWaalsContact OD1-CB 3.29Å; D601-S603 WeakPolarHBondContact OD1-CB 3.38Å; D601-S603 PolarHBondContact OD1-N 2.81Å; D601-S603 PolarHBondContact OD1-OG 2.77Å; D601-S603 PolarHBondContact OD2-OG 2.65Å; S603-Y605 VanDerWaalsContact C-N 3.29Å; S603-Y605 PolarHBondContact O-N 2.99Å
604S70.2Confident65.5Low94 Ų9471 Ų7166%0.65740%0.402SS*.G310 helixtrans-79-11.1179.4-64.80000113.7D601 P602D601-S604 PolarHBondContact O-N 3.46Å; P602-S604 PolarHBondContact O-N 3.43Å; P602-S604 VanDerWaalsContact O-N 3.13Å
605Y70.1Confident62.7Low41 Ų4177.8 Ų77.816%0.16143%0.433CS..THydrogen-bonded Turntrans-117.6-8.1-169.8-64.4-71.4000114.4Y576 A595 L600 D601 P602 S603 R607Y576-Y605 AromaticContact CD1-CD1 3.98Å; Y576-Y605 HydrophobicContact CD1-CD1 3.98Å; Y576-Y605 AromaticContact CD1-CE1 3.59Å; Y576-Y605 HydrophobicContact CD1-CE1 3.59Å; Y576-Y605 AromaticContact CE1-CD1 3.14Å; Y576-Y605 HydrophobicContact CE1-CD1 3.14Å; Y576-Y605 AromaticContact CE1-CE1 3.24Å; Y576-Y605 HydrophobicContact CE1-CE1 3.24Å; Y576-Y605 HydrophobicContact CE1-CG 4.01Å; Y576-Y605 HydrophobicContact CE2-CD1 4.42Å; Y576-Y605 HydrophobicContact CG-CE1 4.48Å; Y576-Y605 AromaticContact CZ-CD1 3.4Å; Y576-Y605 AromaticContact CZ-CE1 3.89Å; Y576-Y605 AromaticContact CZ-CG 3.8Å; Y576-Y605 WeakPolarHBondContact OH-CB 3.46Å; Y576-Y605 WeakPolarHBondContact OH-CD1 3.41Å; A595-Y605 HydrophobicContact CB-CD2 3.5Å; A595-Y605 HydrophobicContact CB-CE2 4.01Å; A595-Y605 HydrophobicContact CB-CG 3.92Å; L600-Y605 HydrophobicContact CB-CE2 3.84Å; L600-Y605 HydrophobicContact CD1-CE2 4.3Å; D601-Y605 WeakPolarHBondContact O-CD2 3.32Å; D601-Y605 WeakPolarHBondContact O-CE2 3.43Å; P602-Y605 PolarHBondContact O-N 3.01Å; S603-Y605 VanDerWaalsContact C-N 3.29Å; S603-Y605 PolarHBondContact O-N 2.99Å; Y605-R607 PolarHBondContact O-N 2.97Å; Y605-R607 VanDerWaalsContact O-N 3.14Å
606H63Low59.9Low118 Ų11887.9 Ų87.955%0.54648%0.477SS..  trans-58.2121.2170.9-79.2-67.1000110.3A592 P602 H608A592-H606 VanDerWaalsContact CB-CE1 3.42Å; A592-H606 WeakPolarHBondContact CB-CE1 3.37Å; P602-H606 PolarHBondContact O-CD2 3.18Å; P602-H606 PolarHBondContact O-N 3.42Å; H606-H608 PolarHBondContact O-N 2.89Å
607R54.5Low57.1Low109 Ų10985.2 Ų85.241%0.41148%0.476SS..  trans-61.9128.5-179.8-70.3-179.1-176.3167.80.2109.7E584 Y605 I609E584-R607 VanDerWaalsContact CB-NH2 3.27Å; E584-R607 IonicContact OE1-NH2 2.71Å; Y605-R607 PolarHBondContact O-N 2.97Å; Y605-R607 VanDerWaalsContact O-N 3.14Å; R607-I609 VanDerWaalsContact C-N 3.27Å; R607-I609 HydrophobicContact CB-CG1 4.12Å; R607-I609 PolarHBondContact O-N 2.77Å; R607-I609 VanDerWaalsContact O-N 3.16Å
608H44Very low54.1Low150 Ų15089.1 Ų89.169%0.69449%0.491SS*.  trans-72.593.7141.2-71.71000106.4H606 P610H606-H608 PolarHBondContact O-N 2.89Å; H608-P610 WeakPolarHBondContact O-CD 3.44Å; H608-P610 VanDerWaalsContact O-N 3.08Å
609I38.7Very low51.2Low132 Ų13297 Ų9768%0.67753%0.533SS*.  trans-54.1114.7174.7-61.3172.1000107.4R607 A611R607-I609 VanDerWaalsContact C-N 3.27Å; R607-I609 HydrophobicContact CB-CG1 4.12Å; R607-I609 PolarHBondContact O-N 2.77Å; R607-I609 VanDerWaalsContact O-N 3.16Å; I609-A611 PolarHBondContact O-N 3.1Å
610P35.2Very low48.4Very low79 Ų79100.5 Ų100.551%0.51354%0.544SS..  trans-67.9122.9172.8-13.228.8000107.9H608 G612H608-P610 WeakPolarHBondContact O-CD 3.44Å; H608-P610 VanDerWaalsContact O-N 3.08Å; P610-G612 PolarHBondContact O-N 3.2Å
611A31.6Very low45.6Very low35 Ų35107 Ų10729%0.28957%0.572SS.*THydrogen-bonded Turntrans-639.9-172.800000116.4I609I609-A611 PolarHBondContact O-N 3.1Å
612G31Very low42.9Very low55 Ų55107.4 Ų107.457%0.56759%0.589SS**THydrogen-bonded Turntrans-91.81.5-172.300000116.6P610P610-G612 PolarHBondContact O-N 3.2Å
613I38.2Very low40.5Very low139 Ų139110.6 Ų110.671%0.71361%0.612SS**SBendtrans-98.9-16.7-177.6-62.5178.3000112.4
614E31.7Very low38.4Very low92 Ų92111.4 Ų111.443%0.4362%0.618SS.*  trans-96.42.7-179.9-73.6177.414500114.9K616 A617 R722E614-K616 PolarHBondContact O-N 2.85Å; E614-A617 PolarHBondContact O-N 2.93Å; E614-R722 IonicContact OE1-NH2 3.01Å; E614-R722 IonicContact OE2-CZ 3.32Å; E614-R722 IonicContact OE2-NE 3.39Å; E614-R722 IonicContact OE2-NH2 2.78Å; E614-R722 PolarHBondContact OE2-NH2 2.99Å
615E32.9Very low36.6Very low147 Ų147116.5 Ų116.569%0.68762%0.622SS**THydrogen-bonded Turntrans-60.5-9.4-179-94-175.8167.100114.3
616K30.5Very low35.1Very low212 Ų212122.9 Ų122.992%0.92266%0.658SS**THydrogen-bonded Turntrans-98.6-4.9172.8-72.7-170.5175.6-175.10115.3E614E614-K616 PolarHBondContact O-N 2.85Å
617A30.9Very low34.3Very low67 Ų67120.6 Ų120.655%0.55465%0.65SS**THydrogen-bonded Turntrans-102.8-9.6179.300000113.6E614E614-A617 PolarHBondContact O-N 2.93Å
618Q30.1Very low34.1Very low116 Ų116120.5 Ų120.554%0.54266%0.657SS.*G310 helixtrans-93-2.1-169-77.4-174-23.800116.5V620Q618-V620 PolarHBondContact O-N 3.49Å
619D29.6Very low34.3Very low166 Ų166115.2 Ų115.289%0.88864%0.635SS**G310 helixtrans-76.11.1171.6-81.7-22.7000113.8
620V30.3Very low35.2Very low125 Ų125113 Ų11376%0.75863%0.631SS**G310 helixtrans-120.2-6.7-176.6-172.50000114.2Q618Q618-V620 PolarHBondContact O-N 3.49Å
621F28.5Very low36Very low156 Ų156115.6 Ų115.668%0.68464%0.641SS**  trans-114.920-173.7-99.7-83.4000116.4S623F621-S623 PolarHBondContact O-N 2.98Å
622A27.8Very low37.1Very low105 Ų105114.7 Ų114.787%0.86863%0.632SS**SBendtrans-70.220.6177.800000115.6
623S27.6Very low38.5Very low105 Ų105115.8 Ų115.873%0.73463%0.628SS**SBendtrans-153.958.9-176.964.30000115.3F621F621-S623 PolarHBondContact O-N 2.98Å
624S29.9Very low39.7Very low97 Ų97110.5 Ų110.568%0.67860%0.603SS**  trans-164.9154154.332.60000113
625R32.1Very low41.3Very low200 Ų200106.6 Ų106.676%0.75559%0.585SS**  trans-81.4158.1-162.6-62.1159.4-172.1-175.92.7111.3
626L39.5Very low43Very low175 Ų175106 Ų10692%0.91658%0.576SS**  trans88.490.9179.8-60.1162.8000113.9D628L626-D628 PolarHBondContact O-N 3.39Å
627I47Very low44.8Very low71 Ų7196.6 Ų96.636%0.36454%0.535SS..  trans-71.2120.1164.4-68175.8000107.7V629 L726I627-V629 HydrophobicContact CG2-CG1 4.13Å; I627-V629 PolarHBondContact O-N 3.21Å; I627-L726 HydrophobicContact CB-CD2 4.46Å; I627-L726 HydrophobicContact CG2-CD2 3.04Å; I627-L726 HydrophobicContact CG2-CG 4.44Å
628D48.7Very low46.8Very low106 Ų10698.7 Ų98.757%0.56754%0.536SS*.  trans-68.3111.2171.4179.715.7000110.3L626 S630L626-D628 PolarHBondContact O-N 3.39Å; D628-S630 WeakPolarHBondContact OD1-CB 3.44Å; D628-S630 PolarHBondContact OD1-N 2.94Å; D628-S630 PolarHBondContact OD1-OG 3.43Å; D628-S630 PolarHBondContact OD2-OG 3.45Å
629V49.8Very low48.7Very low39 Ų3994.5 Ų94.524%0.23652%0.519CS..  trans-101.38.3179.6-71.30000112.9I627 N631 C632 F730I627-V629 HydrophobicContact CG2-CG1 4.13Å; I627-V629 PolarHBondContact O-N 3.21Å; V629-N631 PolarHBondContact O-N 3.37Å; V629-N631 VanDerWaalsContact O-N 3.08Å; V629-C632 HydrophobicContact CB-CB 4.42Å; V629-C632 VanDerWaalsContact O-CB 3.32Å; V629-C632 WeakPolarHBondContact O-CB 3.4Å; V629-C632 PolarHBondContact O-N 2.96Å; V629-F730 HydrophobicContact CB-CD2 4.21Å; V629-F730 HydrophobicContact CG1-CB 4.29Å; V629-F730 HydrophobicContact CG1-CD2 3.79Å; V629-F730 HydrophobicContact CG1-CG 4.35Å; V629-F730 HydrophobicContact CG2-CD2 4.38Å; V629-F730 HydrophobicContact CG2-CE2 4.3Å
630S56.5Low50.4Low85 Ų8590.4 Ų90.459%0.59450%0.501SS*.THydrogen-bonded Turntrans-54-30.9-179.558.30000114.1D628D628-S630 WeakPolarHBondContact OD1-CB 3.44Å; D628-S630 PolarHBondContact OD1-N 2.94Å; D628-S630 PolarHBondContact OD1-OG 3.43Å; D628-S630 PolarHBondContact OD2-OG 3.45Å
631N52.4Low52.4Low134 Ų13491 Ų9172%0.71750%0.496SS*.THydrogen-bonded Turntrans-92.74.2179.7-66.5-51000114.2V629V629-N631 PolarHBondContact O-N 3.37Å; V629-N631 VanDerWaalsContact O-N 3.08Å
632C53.7Low54.2Low16 Ų1688.4 Ų88.411%0.10850%0.503CS..SBendtrans-84.1146179.4-64.40000110.9V629 P634V629-C632 HydrophobicContact CB-CB 4.42Å; V629-C632 VanDerWaalsContact O-CB 3.32Å; V629-C632 WeakPolarHBondContact O-CB 3.4Å; V629-C632 PolarHBondContact O-N 2.96Å; C632-P634 WeakPolarHBondContact O-CD 3.25Å
633T60.4Low56.3Low78 Ų7890.9 Ų90.948%0.47950%0.502SS..PPolyproline II helixtrans-72.5119.6171.6-25.70000107.8F673T633-F673 HydrophobicContact CG2-CZ 4.47Å
634P64.6Low58.6Low28 Ų2888.9 Ų88.918%0.18249%0.487CS..PPolyproline II helixtrans-65.7149.2-176.525.1-32.3000110.8C632 R636 E649C632-P634 WeakPolarHBondContact O-CD 3.25Å; P634-R636 PolarHBondContact O-N 3.38Å; P634-E649 HydrophobicContact CB-CG 3.58Å; P634-E649 HydrophobicContact CG-CG 3.84Å; P634-E649 WeakPolarHBondContact CG-OE1 3.44Å
635F64.2Low60.6Low10 Ų1087.8 Ų87.84%0.04448%0.484CS..EExtended strand (participates in β ladder)trans-73.4113.5178.9177.9-112000109.2Y637 E649 I650 I666 F731F635-Y637 AromaticContact CD1-CD1 3.85Å; F635-Y637 HydrophobicContact CD1-CD1 3.85Å; F635-Y637 HydrophobicContact CD1-CE1 4.45Å; F635-Y637 AromaticContact CE1-CD1 3.34Å; F635-Y637 HydrophobicContact CE1-CD1 3.34Å; F635-Y637 HydrophobicContact CE1-CE1 4.03Å; F635-Y637 HydrophobicContact CE1-CG 4.15Å; F635-Y637 HydrophobicContact CZ-CD1 4.17Å; F635-E649 CarbonylContact O-C 3.23Å; F635-E649 WeakPolarHBondContact O-CA 3.48Å; F635-I650 HydrophobicContact CB-CB 4.29Å; F635-I650 HydrophobicContact CD1-CD1 4.03Å; F635-I650 HydrophobicContact CD1-CG1 4.36Å; F635-I650 PolarHBondContact N-O 3.31Å; F635-I650 PolarHBondContact O-N 2.94Å; F635-I666 HydrophobicContact CE2-CG1 3.62Å; F635-I666 HydrophobicContact CZ-CD1 4.36Å; F635-I666 HydrophobicContact CZ-CG1 3.65Å; F635-F731 HydrophobicContact CB-CE1 3.76Å; F635-F731 HydrophobicContact CB-CZ 4.31Å; F635-F731 AromaticContact CD2-CE1 3.47Å; F635-F731 HydrophobicContact CD2-CE1 3.47Å; F635-F731 VanDerWaalsContact CD2-CE1 3.47Å; F635-F731 AromaticContact CD2-CZ 3.98Å; F635-F731 HydrophobicContact CD2-CZ 3.98Å; F635-F731 HydrophobicContact CE2-CE1 4.34Å; F635-F731 AromaticContact CG-CE1 3.86Å; F635-F731 HydrophobicContact CG-CE1 3.86Å
636R68.4Low62.7Low134 Ų13484 Ų8451%0.50647%0.474SS..EExtended strand (participates in β ladder)trans-108.6131.5177.7-66.7179.3176.8172.21110.8P634 V647 V648 E649 Q669P634-R636 PolarHBondContact O-N 3.38Å; R636-V647 HydrophobicContact CB-CG1 4.08Å; R636-V647 HydrophobicContact CG-CG1 4.28Å; R636-V648 WeakPolarHBondContact CA-O 3.45Å; R636-E649 HydrophobicContact CG-CB 4.27Å; R636-E649 HydrophobicContact CG-CG 4.04Å; R636-E649 IonicContact CZ-OE2 3.17Å; R636-E649 IonicContact NE-OE2 2.78Å; R636-E649 PolarHBondContact NE-OE2 3.3Å; R636-E649 IonicContact NH2-OE2 2.66Å; R636-E649 PolarHBondContact NH2-OE2 3.4Å; R636-Q669 PolarHBondContact O-NE2 3.49Å
637Y69.1Low64.4Low15 Ų1579.3 Ų79.36%0.05945%0.453CS..EExtended strand (participates in β ladder)trans-140.7150.2167.972.3-89.6000111.3F635 V647 V648 I650 V660 K662F635-Y637 AromaticContact CD1-CD1 3.85Å; F635-Y637 HydrophobicContact CD1-CD1 3.85Å; F635-Y637 HydrophobicContact CD1-CE1 4.45Å; F635-Y637 AromaticContact CE1-CD1 3.34Å; F635-Y637 HydrophobicContact CE1-CD1 3.34Å; F635-Y637 HydrophobicContact CE1-CE1 4.03Å; F635-Y637 HydrophobicContact CE1-CG 4.15Å; F635-Y637 HydrophobicContact CZ-CD1 4.17Å; Y637-V647 CarbonylContact O-C 3.58Å; Y637-V647 WeakPolarHBondContact O-CA 3.5Å; Y637-V648 HydrophobicContact CD1-CB 3.99Å; Y637-V648 HydrophobicContact CD1-CG1 4.34Å; Y637-V648 HydrophobicContact CD2-CB 4.35Å; Y637-V648 HydrophobicContact CE1-CB 3.53Å; Y637-V648 HydrophobicContact CE1-CG1 3.53Å; Y637-V648 HydrophobicContact CE1-CG2 4.3Å; Y637-V648 HydrophobicContact CE2-CB 3.92Å; Y637-V648 HydrophobicContact CE2-CG2 3.86Å; Y637-V648 HydrophobicContact CG-CB 4.41Å; Y637-V648 VanDerWaalsContact CZ-CB 3.49Å; Y637-V648 PolarHBondContact N-O 3.07Å; Y637-V648 PolarHBondContact O-N 3.3Å; Y637-I650 HydrophobicContact CE1-CD1 4.27Å; Y637-V660 HydrophobicContact CE1-CG1 4.29Å; Y637-V660 HydrophobicContact CE1-CG2 3.93Å; Y637-V660 WeakPolarHBondContact OH-CG2 3.26Å; Y637-K662 HydrophobicContact CD2-CD 3.43Å; Y637-K662 VanDerWaalsContact CD2-CD 3.43Å; Y637-K662 HydrophobicContact CE2-CD 4.16Å; Y637-K662 HydrophobicContact CG-CD 3.73Å
638I73.2Confident65.3Low111 Ų11177.5 Ų77.557%0.56945%0.445SS*.EExtended strand (participates in β ladder)trans-83.3128.4174.2-57.2171.8000107.7H646 V647 K662I638-H646 CarbonylContact C-O 3.51Å; I638-H646 WeakPolarHBondContact CA-O 3.38Å; I638-V647 HydrophobicContact CG1-CG2 4.45Å; I638-K662 PolarHBondContact O-NZ 3.48Å
639C69.8Low66.2Low28 Ų2876.4 Ų76.419%0.18944%0.437CS..  trans-48.6131.6176-172.40000110.9E641 C644 H646C639-E641 VanDerWaalsContact C-N 3.31Å; C639-E641 PolarHBondContact O-N 3.45Å; C639-C644 HydrophobicContact CB-CB 3.78Å; C639-C644 VanDerWaalsContact CB-SG 3.55Å; C639-H646 HydrophobicContact CB-CB 4.37Å; C639-H646 PolarHBondContact N-O 3.26Å
640P64.9Low66.9Low80 Ų8075.6 Ų75.652%0.51943%0.431SS..SBendtrans-77.4-13.9-17528.6-24.5000114.1A642P640-A642 PolarHBondContact O-N 3.05Å
641E73.2Confident67.2Low139 Ų13974 Ų7465%0.6542%0.419SS*.SBendtrans-58.6126170.9-78.5-83.1156.500109.8C639 D643 C644C639-E641 VanDerWaalsContact C-N 3.31Å; C639-E641 PolarHBondContact O-N 3.45Å; E641-D643 PolarHBondContact O-N 3.19Å; E641-C644 HydrophobicContact CB-CB 3.75Å; E641-C644 PolarHBondContact O-N 2.9Å; E641-C644 VanDerWaalsContact O-N 3.09Å
642A65Low67.3Low100 Ų10069.5 Ų69.583%0.82640%0.398SS*.THydrogen-bonded Turntrans-55.9-26.5-170.200000113.7P640P640-A642 PolarHBondContact O-N 3.05Å
643D72Confident67.2Low157 Ų15771.2 Ų71.284%0.8441%0.409SS*.THydrogen-bonded Turntrans-106.3-6.6-175.5-58.9-30.8000114E641E641-D643 PolarHBondContact O-N 3.19Å
644C76.1Confident66.8Low64 Ų6476.3 Ų76.343%0.43242%0.424SS..THydrogen-bonded Turntrans-83.3-41.7-171.1-175.20000112.5C639 E641 H646C639-C644 HydrophobicContact CB-CB 3.78Å; C639-C644 VanDerWaalsContact CB-SG 3.55Å; E641-C644 HydrophobicContact CB-CB 3.75Å; E641-C644 PolarHBondContact O-N 2.9Å; E641-C644 VanDerWaalsContact O-N 3.09Å; C644-H646 PolarHBondContact O-N 2.99Å; C644-H646 WeakPolarHBondContact SG-CB 3.4Å
645A72.2Confident65.7Low74 Ų7480.7 Ų80.761%0.61244%0.442SS*.  trans45.77.7-175.900000116.4V647A645-V647 PolarHBondContact O-N 2.85Å
646H76.7Confident64.5Low119 Ų11983.1 Ų83.155%0.55147%0.47SS*.  trans-74.1130.2-169.9-168.874.6000109.8I638 C639 C644 V648I638-H646 CarbonylContact C-O 3.51Å; I638-H646 WeakPolarHBondContact CA-O 3.38Å; C639-H646 HydrophobicContact CB-CB 4.37Å; C639-H646 PolarHBondContact N-O 3.26Å; C644-H646 PolarHBondContact O-N 2.99Å; C644-H646 WeakPolarHBondContact SG-CB 3.4Å; H646-V648 PolarHBondContact O-N 2.96Å
647V74.4Confident62.8Low78 Ų7883.7 Ų83.747%0.47349%0.488SS..EExtended strand (participates in β ladder)trans-80.6102.3173.8-178.90000107.5R636 Y637 I638 A645 E649R636-V647 HydrophobicContact CB-CG1 4.08Å; R636-V647 HydrophobicContact CG-CG1 4.28Å; Y637-V647 CarbonylContact O-C 3.58Å; Y637-V647 WeakPolarHBondContact O-CA 3.5Å; I638-V647 HydrophobicContact CG1-CG2 4.45Å; A645-V647 PolarHBondContact O-N 2.85Å; V647-E649 PolarHBondContact O-N 3.4Å
648V66.7Low61.4Low32 Ų3285.7 Ų85.719%0.19451%0.508CS..EExtended strand (participates in β ladder)trans-77.9119.2172.2-177.30000107.8R636 Y637 H646 I650R636-V648 WeakPolarHBondContact CA-O 3.45Å; Y637-V648 HydrophobicContact CD1-CB 3.99Å; Y637-V648 HydrophobicContact CD1-CG1 4.34Å; Y637-V648 HydrophobicContact CD2-CB 4.35Å; Y637-V648 HydrophobicContact CE1-CB 3.53Å; Y637-V648 HydrophobicContact CE1-CG1 3.53Å; Y637-V648 HydrophobicContact CE1-CG2 4.3Å; Y637-V648 HydrophobicContact CE2-CB 3.92Å; Y637-V648 HydrophobicContact CE2-CG2 3.86Å; Y637-V648 HydrophobicContact CG-CB 4.41Å; Y637-V648 VanDerWaalsContact CZ-CB 3.49Å; Y637-V648 PolarHBondContact N-O 3.07Å; Y637-V648 PolarHBondContact O-N 3.3Å; H646-V648 PolarHBondContact O-N 2.96Å; V648-I650 HydrophobicContact CG1-CG1 4.35Å
649E67.4Low59.8Low84 Ų8488.8 Ų88.839%0.39352%0.52SS..EExtended strand (participates in β ladder)trans-106.3119.2175.6-174.3174.1128.900109.7P634 F635 R636 V647P634-E649 HydrophobicContact CB-CG 3.58Å; P634-E649 HydrophobicContact CG-CG 3.84Å; P634-E649 WeakPolarHBondContact CG-OE1 3.44Å; F635-E649 CarbonylContact O-C 3.23Å; F635-E649 WeakPolarHBondContact O-CA 3.48Å; R636-E649 HydrophobicContact CG-CB 4.27Å; R636-E649 HydrophobicContact CG-CG 4.04Å; R636-E649 IonicContact CZ-OE2 3.17Å; R636-E649 IonicContact NE-OE2 2.78Å; R636-E649 PolarHBondContact NE-OE2 3.3Å; R636-E649 IonicContact NH2-OE2 2.66Å; R636-E649 PolarHBondContact NH2-OE2 3.4Å; V647-E649 PolarHBondContact O-N 3.4Å
650I64.1Low58.6Low22 Ų2289.2 Ų89.211%0.11352%0.522CS..EExtended strand (participates in β ladder)trans-104.2103.4173.1-52.8-178.7000107.7F635 Y637 V648 S652 I734F635-I650 HydrophobicContact CB-CB 4.29Å; F635-I650 HydrophobicContact CD1-CD1 4.03Å; F635-I650 HydrophobicContact CD1-CG1 4.36Å; F635-I650 PolarHBondContact N-O 3.31Å; F635-I650 PolarHBondContact O-N 2.94Å; Y637-I650 HydrophobicContact CE1-CD1 4.27Å; V648-I650 HydrophobicContact CG1-CG1 4.35Å; I650-S652 WeakPolarHBondContact CG2-O 3.45Å; I650-I734 HydrophobicContact CG2-CD1 4.02Å
651S63.2Low57.4Low50 Ų5093.4 Ų93.435%0.3554%0.535SS..  trans-103.4-16.617856.80000112.9Q655S651-Q655 PolarHBondContact OG-OE1 3.47Å
652S55.1Low56.3Low40 Ų4088.3 Ų88.328%0.2851%0.51SS..SBendtrans-144.1156.4177.172.30000111.1I650 F654 Q655I650-S652 WeakPolarHBondContact CG2-O 3.45Å; S652-F654 PolarHBondContact O-N 2.93Å; S652-F654 VanDerWaalsContact O-N 3.1Å; S652-Q655 PolarHBondContact O-N 3.13Å
653V51.4Low55.3Low53 Ų5392 Ų9232%0.32150%0.503SS..THydrogen-bonded Turntrans-63.5-16.6-178.4-1740000112.7L737V653-L737 HydrophobicContact CG1-CB 4.29Å; V653-L737 HydrophobicContact CG1-CD1 3.54Å
654F50.4Low54.2Low185 Ų18587.9 Ų87.981%0.81149%0.486SS*.THydrogen-bonded Turntrans-109.99.8-172.1-66.9-79.3000114.5S652S652-F654 PolarHBondContact O-N 2.93Å; S652-F654 VanDerWaalsContact O-N 3.1Å
655Q42Very low53.1Low120 Ų12086.5 Ų86.556%0.56148%0.477SS*.SBendtrans-117.6111177.1-80.6179.3-24.400111.7S651 S652S651-Q655 PolarHBondContact OG-OE1 3.47Å; S652-Q655 PolarHBondContact O-N 3.13Å
656G39.5Very low52.2Low61 Ų6184.4 Ų84.463%0.62946%0.455SS*.  trans120.988.6167.300000113.8A658G656-A658 VanDerWaalsContact C-N 3.34Å; G656-A658 PolarHBondContact O-N 3.2Å; G656-A658 VanDerWaalsContact O-N 3.14Å
657V32.4Very low51Low145 Ų14580.6 Ų80.688%0.87944%0.442SS*.  trans-79.485.8166-1700000107.4
658A39.5Very low50.1Low58 Ų5882.5 Ų82.548%0.47945%0.449SS..  trans-147.2122.2168.500000109.2G656 V660G656-A658 VanDerWaalsContact C-N 3.34Å; G656-A658 PolarHBondContact O-N 3.2Å; G656-A658 VanDerWaalsContact O-N 3.14Å; A658-V660 WeakPolarHBondContact O-CG2 3.26Å; A658-V660 PolarHBondContact O-N 3.21Å
659E40.5Very low49.5Very low175 Ų17583.6 Ų83.682%0.81845%0.452SS*.  trans-58.4102.2174.6-75.9-179.4136.400110.2Q661E659-Q661 PolarHBondContact O-N 2.99Å; E659-Q661 VanDerWaalsContact O-N 3.11Å
660V44.7Very low48.7Very low38 Ų3882.8 Ų82.823%0.2345%0.446CS..  trans-8490.3-176-176.10000110.6Y637 A658 K662Y637-V660 HydrophobicContact CE1-CG1 4.29Å; Y637-V660 HydrophobicContact CE1-CG2 3.93Å; Y637-V660 WeakPolarHBondContact OH-CG2 3.26Å; A658-V660 WeakPolarHBondContact O-CG2 3.26Å; A658-V660 PolarHBondContact O-N 3.21Å; V660-K662 HydrophobicContact CG1-CB 3.51Å; V660-K662 HydrophobicContact CG1-CD 4.26Å; V660-K662 PolarHBondContact O-N 3.46Å
661Q38.7Very low48.1Very low168 Ų16890 Ų9079%0.78547%0.471SS*.  trans-62.992.2155.3-82.2-172.9-16.500109.4E659E659-Q661 PolarHBondContact O-N 2.99Å; E659-Q661 VanDerWaalsContact O-N 3.11Å
662K50.9Low47.6Very low31 Ų3193.4 Ų93.414%0.13548%0.48CS..  trans-16471.1178.5-120.3163-94-103.90116.3Y637 I638 V660 S664Y637-K662 HydrophobicContact CD2-CD 3.43Å; Y637-K662 VanDerWaalsContact CD2-CD 3.43Å; Y637-K662 HydrophobicContact CE2-CD 4.16Å; Y637-K662 HydrophobicContact CG-CD 3.73Å; I638-K662 PolarHBondContact O-NZ 3.48Å; V660-K662 HydrophobicContact CG1-CB 3.51Å; V660-K662 HydrophobicContact CG1-CD 4.26Å; V660-K662 PolarHBondContact O-N 3.46Å; K662-S664 VanDerWaalsContact C-N 3.32Å; K662-S664 PolarHBondContact O-N 3.24Å
663R43Very low47.4Very low178 Ų17895.1 Ų95.167%0.67248%0.483SS*.Hα-helixtrans-62.6-32.9171-77.3-177.3178.1164.61.9113.8
664S48.9Very low47.4Very low71 Ų7195.6 Ų95.650%0.49749%0.488SS..Hα-helixtrans-79.4-42.7-169.348.20000113.6K662 I666 S667 L668K662-S664 VanDerWaalsContact C-N 3.32Å; K662-S664 PolarHBondContact O-N 3.24Å; S664-I666 PolarHBondContact O-N 3.5Å; S664-S667 PolarHBondContact O-N 3.19Å; S664-S667 PolarHBondContact O-OG 3Å; S664-L668 PolarHBondContact O-N 3.31Å
665S54.1Low47.3Very low34 Ų3490.7 Ų90.724%0.23848%0.477CS..Hα-helixtrans-66.4-39.6-173.4-61.20000113.9L668 Q669S665-L668 PolarHBondContact O-N 3.5Å; S665-Q669 PolarHBondContact O-N 2.64Å; S665-Q669 VanDerWaalsContact O-N 3.09Å
666I52.7Low48Very low30 Ų3088.4 Ų88.415%0.15447%0.465CS..Hα-helixtrans-64.8-44.3178.5-65.4170.3000110.5F635 S664 L668 Q669 Y670F635-I666 HydrophobicContact CE2-CG1 3.62Å; F635-I666 HydrophobicContact CZ-CD1 4.36Å; F635-I666 HydrophobicContact CZ-CG1 3.65Å; S664-I666 PolarHBondContact O-N 3.5Å; I666-L668 VanDerWaalsContact C-N 3.3Å; I666-L668 PolarHBondContact O-N 2.81Å; I666-Q669 PolarHBondContact O-N 3.29Å; I666-Y670 WeakPolarHBondContact O-CB 3.42Å; I666-Y670 PolarHBondContact O-N 3.08Å
667S52.3Low49.2Very low39 Ų3988.2 Ų88.227%0.27346%0.463SS..Hα-helixtrans-63.8-35178.879.20000112.9S664 R671S664-S667 PolarHBondContact O-N 3.19Å; S664-S667 PolarHBondContact O-OG 3Å; S667-R671 WeakPolarHBondContact O-CB 3.47Å; S667-R671 WeakPolarHBondContact O-CG 3.23Å; S667-R671 PolarHBondContact O-N 3.15Å
668L54.1Low51.3Low119 Ų11984.1 Ų84.162%0.62343%0.432SS*.Hα-helixtrans-70.2-45.3178.7-90.3156.6000111.7S664 S665 I666 R671 F672S664-L668 PolarHBondContact O-N 3.31Å; S665-L668 PolarHBondContact O-N 3.5Å; I666-L668 VanDerWaalsContact C-N 3.3Å; I666-L668 PolarHBondContact O-N 2.81Å; L668-R671 PolarHBondContact O-N 3.21Å; L668-F672 WeakPolarHBondContact O-CB 3.27Å; L668-F672 PolarHBondContact O-N 3.41Å
669Q54.5Low53.3Low54 Ų5482.1 Ų82.125%0.25241%0.413SS..Hα-helixtrans-65.9-41.1175.3-83.5175.3-4.300111.5R636 S665 I666 R671 F672 F673R636-Q669 PolarHBondContact O-NE2 3.49Å; S665-Q669 PolarHBondContact O-N 2.64Å; S665-Q669 VanDerWaalsContact O-N 3.09Å; I666-Q669 PolarHBondContact O-N 3.29Å; Q669-R671 PolarHBondContact O-N 3.35Å; Q669-F672 WeakPolarHBondContact O-CB 3.47Å; Q669-F672 PolarHBondContact O-N 2.89Å; Q669-F672 VanDerWaalsContact O-N 3.08Å; Q669-F673 VanDerWaalsContact O-CD2 3.31Å; Q669-F673 WeakPolarHBondContact O-CD2 3.4Å; Q669-F673 PolarHBondContact O-N 3.08Å; Q669-F673 VanDerWaalsContact O-N 3.14Å
670Y51.3Low55.2Low67 Ų6775.6 Ų75.626%0.26339%0.385SS..Hα-helixtrans-60.1-46.2175.7-173.3-95.3000112.4I666 F672 F673 C674I666-Y670 WeakPolarHBondContact O-CB 3.42Å; I666-Y670 PolarHBondContact O-N 3.08Å; Y670-F672 PolarHBondContact O-N 3.1Å; Y670-F673 PolarHBondContact O-N 2.9Å; Y670-C674 VanDerWaalsContact CZ-SG 3.58Å; Y670-C674 PolarHBondContact O-N 2.87Å
671R50.6Low56.9Low173 Ų17374.1 Ų74.165%0.65338%0.376SS*.Hα-helixtrans-62.3-32.3174.3-78.4-179177.9175.51.1112.4S667 L668 Q669 S675S667-R671 WeakPolarHBondContact O-CB 3.47Å; S667-R671 WeakPolarHBondContact O-CG 3.23Å; S667-R671 PolarHBondContact O-N 3.15Å; L668-R671 PolarHBondContact O-N 3.21Å; Q669-R671 PolarHBondContact O-N 3.35Å; R671-S675 WeakPolarHBondContact O-CB 3.35Å; R671-S675 PolarHBondContact O-N 3.28Å; R671-S675 PolarHBondContact O-OG 2.98Å
672F52.1Low58.6Low122 Ų12269 Ų6954%0.53535%0.354SS..Hα-helixtrans-66.2-38.5177.5-171.5-92.2000112.5L668 Q669 Y670L668-F672 WeakPolarHBondContact O-CB 3.27Å; L668-F672 PolarHBondContact O-N 3.41Å; Q669-F672 WeakPolarHBondContact O-CB 3.47Å; Q669-F672 PolarHBondContact O-N 2.89Å; Q669-F672 VanDerWaalsContact O-N 3.08Å; Y670-F672 PolarHBondContact O-N 3.1Å
673F51.3Low59.4Low77 Ų7768.5 Ų68.534%0.33835%0.353SS..Hα-helixtrans-81.5-39.9-179.6-79.6-76.7000113.8T633 Q669 Y670 M724T633-F673 HydrophobicContact CG2-CZ 4.47Å; Q669-F673 VanDerWaalsContact O-CD2 3.31Å; Q669-F673 WeakPolarHBondContact O-CD2 3.4Å; Q669-F673 PolarHBondContact O-N 3.08Å; Q669-F673 VanDerWaalsContact O-N 3.14Å; Y670-F673 PolarHBondContact O-N 2.9Å; F673-M724 HydrophobicContact CB-CE 4.3Å
674C52.1Low60.5Low63 Ų6362.4 Ų62.443%0.42633%0.333SS..Hα-helixtrans-76.6-25.5-177.6-75.90000115Y670 K676 M724Y670-C674 VanDerWaalsContact CZ-SG 3.58Å; Y670-C674 PolarHBondContact O-N 2.87Å; C674-K676 PolarHBondContact O-N 3.29Å; C674-M724 HydrophobicContact CB-CE 4.13Å; C674-M724 WeakPolarHBondContact SG-CE 3.44Å
675S48.9Very low60.9Low82 Ų8259.9 Ų59.957%0.57332%0.315SS*.THydrogen-bonded Turntrans-87.1-5.5-164.861.80000115.8R671R671-S675 WeakPolarHBondContact O-CB 3.35Å; R671-S675 PolarHBondContact O-N 3.28Å; R671-S675 PolarHBondContact O-OG 2.98Å
676K56.4Low61.5Low71 Ų7158.6 Ų58.631%0.30931%0.307SS..  trans-113.986.2-169.5-54.6-171.6179.1170.60110.5C674 W678C674-K676 PolarHBondContact O-N 3.29Å; K676-W678 HydrophobicContact CB-CG 4.37Å; K676-W678 PolarHBondContact O-N 3.36Å
677G64.8Low62.2Low57 Ų5759.7 Ų59.759%0.58833%0.325SS*.  trans-64.454.5174.100000114
678W76.9Confident63.3Low60 Ų6061 Ų6123%0.22732%0.324CS..  trans-74.4139.6176.5-71.6115.2000110.5K676 R689 R691 E716K676-W678 HydrophobicContact CB-CG 4.37Å; K676-W678 PolarHBondContact O-N 3.36Å; W678-R689 HydrophobicContact CB-CG 4.38Å; W678-R689 HydrophobicContact CD2-CG 4.09Å; W678-R689 HydrophobicContact CE3-CG 3.65Å; W678-R689 HydrophobicContact CG-CG 4.43Å; W678-R689 HydrophobicContact CZ3-CG 4.21Å; W678-R691 HydrophobicContact CD2-CG 3.78Å; W678-R691 VanDerWaalsContact CE2-NE 3.35Å; W678-R691 HydrophobicContact CE3-CG 3.48Å; W678-R691 VanDerWaalsContact CE3-CG 3.48Å; W678-R691 HydrophobicContact CG-CG 4.46Å; W678-R691 HydrophobicContact CH2-CG 4.18Å; W678-R691 HydrophobicContact CZ2-CG 4.43Å; W678-R691 HydrophobicContact CZ3-CG 3.72Å; W678-E716 HydrophobicContact CB-CB 4.03Å; W678-E716 WeakPolarHBondContact CB-OE2 3.48Å; W678-E716 PolarHBondContact O-N 2.72Å
679L81.5Confident64.5Low15 Ų1560.8 Ų60.88%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-110136.6169.2-56166.4000108.4R689 T690 I693 L713 S714 R715L679-R689 CarbonylContact O-C 3.44Å; L679-R689 VanDerWaalsContact O-CA 3.3Å; L679-R689 WeakPolarHBondContact O-CA 3.31Å; L679-T690 WeakPolarHBondContact CA-O 3.35Å; L679-T690 HydrophobicContact CB-CG2 4.26Å; L679-T690 WeakPolarHBondContact CB-O 3.46Å; L679-T690 PolarHBondContact N-O 3.41Å; L679-T690 PolarHBondContact O-N 3.03Å; L679-I693 HydrophobicContact CD1-CB 4.48Å; L679-I693 HydrophobicContact CD1-CG1 3.62Å; L679-L713 HydrophobicContact CB-CB 3.97Å; L679-L713 HydrophobicContact CB-CD2 4.21Å; L679-L713 HydrophobicContact CB-CG 4.45Å; L679-L713 HydrophobicContact CD1-CB 4.25Å; L679-L713 HydrophobicContact CD1-CD1 4.25Å; L679-S714 CarbonylContact C-O 3.54Å; L679-S714 WeakPolarHBondContact CA-O 3.49Å; L679-R715 HydrophobicContact CD2-CG 3.83Å
680V80Confident65.7Low38 Ų3858.5 Ų58.523%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-115.5139.6175176.90000108.3Y688 R689 L713 S714 E716V680-Y688 CarbonylContact C-O 3.58Å; V680-Y688 WeakPolarHBondContact CA-O 3.26Å; V680-R689 HydrophobicContact CG2-CB 4.31Å; V680-R689 HydrophobicContact CG2-CG 3.96Å; V680-L713 WeakPolarHBondContact O-CA 3.44Å; V680-S714 PolarHBondContact N-O 3.25Å; V680-S714 PolarHBondContact O-N 3.36Å; V680-S714 PolarHBondContact O-OG 3.19Å; V680-E716 HydrophobicContact CG2-CB 3.75Å; V680-E716 HydrophobicContact CG2-CG 3.76Å
681C79.7Confident67.1Low7 Ų761.7 Ų61.75%0.04732%0.317CS..EExtended strand (participates in β ladder)trans-67.8130.5172.9-169.90000110.1D683 C686 Y688 C705 C708 Y712 L713C681-D683 PolarHBondContact O-N 3.29Å; C681-C686 HydrophobicContact CB-CB 4.04Å; C681-Y688 PolarHBondContact N-O 3.41Å; C681-C705 HydrophobicContact CB-CB 4.16Å; C681-C705 WeakPolarHBondContact SG-CB 3.3Å; C681-C705 PolarHBondContact SG-SG 3.19Å; C681-C708 VanDerWaalsContact SG-SG 3.64Å; C681-Y712 CarbonylContact C-O 3.54Å; C681-Y712 WeakPolarHBondContact CA-O 3.11Å; C681-L713 HydrophobicContact CB-CD2 4.31Å
682D73.8Confident68.4Low61 Ų6162.8 Ų62.833%0.32632%0.321SS..SBendtrans-71.7-4.5174.675.3-19.4000114.1I684 G711 Y712D682-I684 PolarHBondContact O-N 2.98Å; D682-G711 WeakPolarHBondContact OD1-CA 3.35Å; D682-Y712 PolarHBondContact N-O 3.17Å; D682-Y712 PolarHBondContact OD1-N 3.44Å; D682-Y712 WeakPolarHBondContact OD2-CD2 3.36Å
683D67.9Low69.7Low20 Ų2062.8 Ų62.811%0.10733%0.325CS..  trans-85.3114.1175.6-168.1-54.7000108.9R581 C681 S685 C686 G687R581-D683 IonicContact NH1-OD1 3.51Å; C681-D683 PolarHBondContact O-N 3.29Å; D683-S685 PolarHBondContact O-N 3.32Å; D683-S685 VanDerWaalsContact O-N 3.13Å; D683-S685 WeakPolarHBondContact OD1-CB 3.3Å; D683-S685 PolarHBondContact OD1-N 2.75Å; D683-S685 PolarHBondContact OD1-OG 2.69Å; D683-C686 HydrophobicContact CB-CB 3.93Å; D683-C686 WeakPolarHBondContact O-CB 3.4Å; D683-C686 PolarHBondContact O-N 3.37Å; D683-G687 PolarHBondContact O-N 2.91Å
684I66.2Low71Confident51 Ų5159.4 Ų59.426%0.26231%0.311SS..THydrogen-bonded Turntrans-52.9-34-177.1-57.2170000111.8Y576 D682Y576-I684 HydrophobicContact CE1-CG2 3.73Å; D682-I684 PolarHBondContact O-N 2.98Å
685S58.9Low72.4Confident17 Ų1762.6 Ų62.612%0.11933%0.329CS..THydrogen-bonded Turntrans-73.9-29.7177.964.20000113.3Q573 P577 D683Q573-S685 PolarHBondContact NE2-O 3.14Å; Q573-S685 PolarHBondContact OE1-O 3.03Å; P577-S685 VanDerWaalsContact CG-CB 3.42Å; D683-S685 PolarHBondContact O-N 3.32Å; D683-S685 VanDerWaalsContact O-N 3.13Å; D683-S685 WeakPolarHBondContact OD1-CB 3.3Å; D683-S685 PolarHBondContact OD1-N 2.75Å; D683-S685 PolarHBondContact OD1-OG 2.69Å
686C66.4Low73.5Confident8 Ų867.1 Ų67.15%0.05433%0.333CS..THydrogen-bonded Turntrans-81.4-46.2-166.9-173.50000111.9C681 D683 Y688 C705 K707 C708C681-C686 HydrophobicContact CB-CB 4.04Å; D683-C686 HydrophobicContact CB-CB 3.93Å; D683-C686 WeakPolarHBondContact O-CB 3.4Å; D683-C686 PolarHBondContact O-N 3.37Å; C686-Y688 PolarHBondContact O-N 3.32Å; C686-Y688 WeakPolarHBondContact SG-CB 3.48Å; C686-C705 PolarHBondContact SG-SG 3.37Å; C686-K707 PolarHBondContact O-NZ 3.49Å; C686-K707 VanDerWaalsContact O-NZ 3.17Å; C686-C708 HydrophobicContact CB-CB 3.99Å; C686-C708 VanDerWaalsContact SG-CB 3.53Å; C686-C708 PolarHBondContact SG-SG 3.33Å
687G66.8Low74.6Confident53 Ų5368.2 Ų68.255%0.54634%0.342SS..  trans52.715.6-17600000114.2D683 R689D683-G687 PolarHBondContact O-N 2.91Å; G687-R689 PolarHBondContact O-N 3.12Å
688Y75.3Confident74.9Confident65 Ų6566.4 Ų66.426%0.25532%0.319SS..  trans-70.4118.2-168.5-179.3-119.8000110.6V680 C681 C686 T690 C705 L706 K707 L713V680-Y688 CarbonylContact C-O 3.58Å; V680-Y688 WeakPolarHBondContact CA-O 3.26Å; C681-Y688 PolarHBondContact N-O 3.41Å; C686-Y688 PolarHBondContact O-N 3.32Å; C686-Y688 WeakPolarHBondContact SG-CB 3.48Å; Y688-T690 HydrophobicContact CD1-CG2 3.92Å; Y688-T690 VanDerWaalsContact CE1-CB 3.47Å; Y688-T690 HydrophobicContact CE1-CG2 3.51Å; Y688-C705 VanDerWaalsContact CD1-SG 3.55Å; Y688-L706 HydrophobicContact CE1-CB 3.89Å; Y688-K707 HydrophobicContact CD1-CB 3.79Å; Y688-K707 HydrophobicContact CD2-CB 3.66Å; Y688-K707 HydrophobicContact CD2-CD 3.65Å; Y688-K707 HydrophobicContact CD2-CG 4.18Å; Y688-K707 HydrophobicContact CE1-CB 4.23Å; Y688-K707 HydrophobicContact CE2-CB 4.11Å; Y688-K707 HydrophobicContact CG-CB 3.46Å; Y688-K707 VanDerWaalsContact CG-CB 3.46Å; Y688-K707 HydrophobicContact CG-CD 3.93Å; Y688-K707 HydrophobicContact CG-CG 4.33Å; Y688-L713 HydrophobicContact CD1-CD2 4.27Å
689R79.2Confident74.4Confident115 Ų11569.7 Ų69.743%0.43435%0.351SS..EExtended strand (participates in β ladder)trans-106.3122.1178.1-170.3177.6179.3-149.216.5109.8W678 L679 V680 G687 E716W678-R689 HydrophobicContact CB-CG 4.38Å; W678-R689 HydrophobicContact CD2-CG 4.09Å; W678-R689 HydrophobicContact CE3-CG 3.65Å; W678-R689 HydrophobicContact CG-CG 4.43Å; W678-R689 HydrophobicContact CZ3-CG 4.21Å; L679-R689 CarbonylContact O-C 3.44Å; L679-R689 VanDerWaalsContact O-CA 3.3Å; L679-R689 WeakPolarHBondContact O-CA 3.31Å; V680-R689 HydrophobicContact CG2-CB 4.31Å; V680-R689 HydrophobicContact CG2-CG 3.96Å; G687-R689 PolarHBondContact O-N 3.12Å; R689-E716 IonicContact CZ-OE1 2.77Å; R689-E716 VanDerWaalsContact CZ-OE1 3.32Å; R689-E716 IonicContact CZ-OE2 3.24Å; R689-E716 VanDerWaalsContact NE-CD 3.26Å; R689-E716 IonicContact NE-OE1 3.17Å; R689-E716 PolarHBondContact NE-OE1 3.29Å; R689-E716 IonicContact NE-OE2 2.74Å; R689-E716 PolarHBondContact NE-OE2 3.22Å; R689-E716 IonicContact NH2-OE1 2.72Å; R689-E716 PolarHBondContact NH2-OE1 3.32Å; R689-E716 IonicContact NH2-OE2 3.12Å; R689-E716 PolarHBondContact NH2-OE2 3.32Å
690T79.4Confident73.8Confident7 Ų772.7 Ų72.74%0.04338%0.378CS..EExtended strand (participates in β ladder)trans-143.8151.4-174.8179.10000111.2L679 Y688 R692 L713L679-T690 WeakPolarHBondContact CA-O 3.35Å; L679-T690 HydrophobicContact CB-CG2 4.26Å; L679-T690 WeakPolarHBondContact CB-O 3.46Å; L679-T690 PolarHBondContact N-O 3.41Å; L679-T690 PolarHBondContact O-N 3.03Å; Y688-T690 HydrophobicContact CD1-CG2 3.92Å; Y688-T690 VanDerWaalsContact CE1-CB 3.47Å; Y688-T690 HydrophobicContact CE1-CG2 3.51Å; T690-R692 WeakPolarHBondContact CG2-O 3.33Å; T690-R692 PolarHBondContact OG1-N 3.43Å; T690-R692 PolarHBondContact OG1-O 3.08Å; T690-L713 HydrophobicContact CG2-CD1 3.65Å; T690-L713 HydrophobicContact CG2-CD2 3.74Å; T690-L713 HydrophobicContact CG2-CG 4.36Å
691R81.1Confident73.4Confident133 Ų13372.9 Ų72.950%0.50239%0.388SS..SBendtrans-95.8-9.8165.4-62.9-175.2179.9-172.1-2.6112.9W678W678-R691 HydrophobicContact CD2-CG 3.78Å; W678-R691 VanDerWaalsContact CE2-NE 3.35Å; W678-R691 HydrophobicContact CE3-CG 3.48Å; W678-R691 VanDerWaalsContact CE3-CG 3.48Å; W678-R691 HydrophobicContact CG-CG 4.46Å; W678-R691 HydrophobicContact CH2-CG 4.18Å; W678-R691 HydrophobicContact CZ2-CG 4.43Å; W678-R691 HydrophobicContact CZ3-CG 3.72Å
692R79Confident73.3Confident197 Ų19776.4 Ų76.474%0.74340%0.404SS*.PPolyproline II helixtrans-81.9122.2178-65.6-175.3178.3-177.60.2109.7T690 L706T690-R692 WeakPolarHBondContact CG2-O 3.33Å; T690-R692 PolarHBondContact OG1-N 3.43Å; T690-R692 PolarHBondContact OG1-O 3.08Å; R692-L706 HydrophobicContact CB-CD1 3.9Å
693I78.7Confident73.7Confident122 Ų12274.3 Ų74.363%0.62639%0.393SS*.PPolyproline II helixtrans-78.4133.4170.3-68.6165000108.8L679 P703L679-I693 HydrophobicContact CD1-CB 4.48Å; L679-I693 HydrophobicContact CD1-CG1 3.62Å; I693-P703 HydrophobicContact CG2-CB 4.17Å; I693-P703 HydrophobicContact CG2-CG 4.25Å
694S78.3Confident74.4Confident5 Ų577 Ų774%0.03540%0.403CS..PPolyproline II helixtrans-74137.2170.8-177.80000110.7W696 Y704S694-W696 PolarHBondContact O-N 3.36Å; S694-W696 WeakPolarHBondContact OG-CB 3.42Å; S694-W696 PolarHBondContact OG-N 2.85Å; S694-W696 PolarHBondContact OG-O 3Å; S694-Y704 WeakPolarHBondContact CB-O 3.34Å; S694-Y704 PolarHBondContact OG-O 3.28Å
695T80.8Confident75.1Confident130 Ų13074.7 Ų74.780%0.79839%0.391SS*.SBendtrans-72.4-7.4170.456.40000112.8
696W73.5Confident76.2Confident177 Ų17777.2 Ų77.267%0.6740%0.402SS*.  trans-94.4116.1175.6-53.181.5000107.2S694 P703 Y704S694-W696 PolarHBondContact O-N 3.36Å; S694-W696 WeakPolarHBondContact OG-CB 3.42Å; S694-W696 PolarHBondContact OG-N 2.85Å; S694-W696 PolarHBondContact OG-O 3Å; W696-P703 CarbonylContact O-C 3.54Å; W696-P703 WeakPolarHBondContact O-CA 2.9Å; W696-Y704 HydrophobicContact CB-CD2 3.88Å; W696-Y704 HydrophobicContact CB-CG 4.45Å; W696-Y704 WeakPolarHBondContact O-CD2 3.41Å; W696-Y704 PolarHBondContact O-N 2.88Å
697L78Confident76.6Confident94 Ų9483.1 Ų83.149%0.49243%0.427SS..BIsolated β-bridgetrans-112.6148.3178-54.8178.7000109.9Q702 P703 Y704L697-Q702 CarbonylContact C-O 3.6Å; L697-Q702 VanDerWaalsContact CA-O 3.3Å; L697-Q702 WeakPolarHBondContact CA-O 3.45Å; L697-P703 HydrophobicContact CD2-CB 3.84Å; L697-P703 HydrophobicContact CD2-CG 4.39Å; L697-Y704 WeakPolarHBondContact O-CE2 3.49Å
698N72.5Confident76.8Confident20 Ų2082.3 Ų82.311%0.10741%0.413CS..  trans-76.5179.4167.475.15.7000111A700 G701 Q702 Y704 Y712N698-A700 PolarHBondContact O-N 3.22Å; N698-A700 WeakPolarHBondContact OD1-CA 3.43Å; N698-A700 WeakPolarHBondContact OD1-CB 3.24Å; N698-A700 PolarHBondContact OD1-N 3.04Å; N698-G701 PolarHBondContact O-N 3.11Å; N698-G701 PolarHBondContact OD1-N 3.35Å; N698-G701 VanDerWaalsContact OD1-N 3.09Å; N698-Q702 PolarHBondContact N-O 2.92Å; N698-Q702 PolarHBondContact ND2-OE1 2.84Å; N698-Q702 PolarHBondContact OD1-N 3.16Å; N698-Y704 HydrophobicContact CB-CE2 4.08Å; N698-Y712 HydrophobicContact CB-CD1 3.9Å; N698-Y712 HydrophobicContact CB-CE1 3.47Å; N698-Y712 VanDerWaalsContact CB-CE1 3.47Å; N698-Y712 WeakPolarHBondContact ND2-CD1 3.36Å; N698-Y712 WeakPolarHBondContact ND2-CE1 3.38Å
699S65.1Low76.6Confident129 Ų12988.3 Ų88.390%0.90244%0.435SS*.THydrogen-bonded Turntrans-63.6-18.9178.950.60000114.1
700A68.5Low76.1Confident77 Ų7787.6 Ų87.664%0.63644%0.439SS*.THydrogen-bonded Turntrans-93.56.4175.200000113N698 Q702N698-A700 PolarHBondContact O-N 3.22Å; N698-A700 WeakPolarHBondContact OD1-CA 3.43Å; N698-A700 WeakPolarHBondContact OD1-CB 3.24Å; N698-A700 PolarHBondContact OD1-N 3.04Å; A700-Q702 VanDerWaalsContact C-N 3.33Å; A700-Q702 PolarHBondContact O-N 2.83Å
701G72.9Confident75.7Confident43 Ų4387.3 Ų87.344%0.44344%0.438SS..SBendtrans79.27.7-179.400000115.1N698N698-G701 PolarHBondContact O-N 3.11Å; N698-G701 PolarHBondContact OD1-N 3.35Å; N698-G701 VanDerWaalsContact OD1-N 3.09Å
702Q77.7Confident75.7Confident80 Ų8084.3 Ų84.337%0.37443%0.427SS..PPolyproline II helixtrans-82.4133.3178.2-58172.4-54.800111.1L697 N698 A700 Y712L697-Q702 CarbonylContact C-O 3.6Å; L697-Q702 VanDerWaalsContact CA-O 3.3Å; L697-Q702 WeakPolarHBondContact CA-O 3.45Å; N698-Q702 PolarHBondContact N-O 2.92Å; N698-Q702 PolarHBondContact ND2-OE1 2.84Å; N698-Q702 PolarHBondContact OD1-N 3.16Å; A700-Q702 VanDerWaalsContact C-N 3.33Å; A700-Q702 PolarHBondContact O-N 2.83Å; Q702-Y712 HydrophobicContact CB-CG 4.47Å
703P82.5Confident75.9Confident17 Ų1775.1 Ų75.111%0.1139%0.393CS..BIsolated β-bridgetrans-69.3135.4-179.914.7-15.4000112.3I693 W696 L697 Y712 L713I693-P703 HydrophobicContact CG2-CB 4.17Å; I693-P703 HydrophobicContact CG2-CG 4.25Å; W696-P703 CarbonylContact O-C 3.54Å; W696-P703 WeakPolarHBondContact O-CA 2.9Å; L697-P703 HydrophobicContact CD2-CB 3.84Å; L697-P703 HydrophobicContact CD2-CG 4.39Å; P703-Y712 CarbonylContact O-C 3.57Å; P703-Y712 WeakPolarHBondContact O-CA 3.47Å; P703-L713 HydrophobicContact CB-CB 4.29Å; P703-L713 HydrophobicContact CB-CD1 4.46Å; P703-L713 WeakPolarHBondContact CD-O 3.43Å; P703-L713 HydrophobicContact CG-CB 3.93Å; P703-L713 WeakPolarHBondContact O-CB 3.3Å; P703-L713 PolarHBondContact O-N 2.9Å
704Y82.1Confident75.7Confident78 Ų7871.2 Ų71.231%0.30638%0.376SS..BIsolated β-bridgetrans-65.3142.9172.2-78.2-92.6000111.1S694 W696 L697 N698 L706 Y712S694-Y704 WeakPolarHBondContact CB-O 3.34Å; S694-Y704 PolarHBondContact OG-O 3.28Å; W696-Y704 HydrophobicContact CB-CD2 3.88Å; W696-Y704 HydrophobicContact CB-CG 4.45Å; W696-Y704 WeakPolarHBondContact O-CD2 3.41Å; W696-Y704 PolarHBondContact O-N 2.88Å; L697-Y704 WeakPolarHBondContact O-CE2 3.49Å; N698-Y704 HydrophobicContact CB-CE2 4.08Å; Y704-L706 PolarHBondContact O-N 3.11Å; Y704-Y712 HydrophobicContact CD1-CD1 4.18Å; Y704-Y712 AromaticContact CD1-CE1 3.9Å; Y704-Y712 HydrophobicContact CD1-CE1 3.9Å; Y704-Y712 HydrophobicContact CE1-CD1 4.25Å; Y704-Y712 AromaticContact CE1-CE1 3.53Å; Y704-Y712 HydrophobicContact CE1-CE1 3.53Å; Y704-Y712 HydrophobicContact CE2-CE1 4.38Å; Y704-Y712 HydrophobicContact CG-CD1 4.46Å; Y704-Y712 HydrophobicContact CG-CE1 4.48Å; Y704-Y712 AromaticContact CZ-CE1 3.79Å
705C80.9Confident75.4Confident1 Ų179.2 Ų79.21%0.00741%0.406CS..PPolyproline II helixtrans-61.1124.7173.4179.20000111.5C681 C686 Y688 K707 C708 R709 G711 L713C681-C705 HydrophobicContact CB-CB 4.16Å; C681-C705 WeakPolarHBondContact SG-CB 3.3Å; C681-C705 PolarHBondContact SG-SG 3.19Å; C686-C705 PolarHBondContact SG-SG 3.37Å; Y688-C705 VanDerWaalsContact CD1-SG 3.55Å; C705-K707 PolarHBondContact O-N 3.4Å; C705-K707 PolarHBondContact SG-N 3.41Å; C705-K707 VanDerWaalsContact SG-N 3.44Å; C705-C708 VanDerWaalsContact SG-SG 3.7Å; C705-R709 WeakPolarHBondContact O-CA 3.33Å; C705-R709 PolarHBondContact O-N 3.45Å; C705-G711 VanDerWaalsContact CB-O 3.26Å; C705-G711 WeakPolarHBondContact CB-O 3.5Å; C705-G711 PolarHBondContact N-O 2.87Å; C705-L713 HydrophobicContact CB-CD2 4.33Å; C705-L713 HydrophobicContact CB-CG 4.35Å
706L80.6Confident74.8Confident70 Ų7074.9 Ų74.937%0.36638%0.376SS..THydrogen-bonded Turntrans-68.5-24.7-179.9-60.5170.9000112.6Y688 R692 Y704Y688-L706 HydrophobicContact CE1-CB 3.89Å; R692-L706 HydrophobicContact CB-CD1 3.9Å; Y704-L706 PolarHBondContact O-N 3.11Å
707K75.2Confident74Confident133 Ų13368.9 Ų68.958%0.57836%0.359SS*.THydrogen-bonded Turntrans-83.4-65-179.9-173.6-173.6179-1690111.9C686 Y688 C705C686-K707 PolarHBondContact O-NZ 3.49Å; C686-K707 VanDerWaalsContact O-NZ 3.17Å; Y688-K707 HydrophobicContact CD1-CB 3.79Å; Y688-K707 HydrophobicContact CD2-CB 3.66Å; Y688-K707 HydrophobicContact CD2-CD 3.65Å; Y688-K707 HydrophobicContact CD2-CG 4.18Å; Y688-K707 HydrophobicContact CE1-CB 4.23Å; Y688-K707 HydrophobicContact CE2-CB 4.11Å; Y688-K707 HydrophobicContact CG-CB 3.46Å; Y688-K707 VanDerWaalsContact CG-CB 3.46Å; Y688-K707 HydrophobicContact CG-CD 3.93Å; Y688-K707 HydrophobicContact CG-CG 4.33Å; C705-K707 PolarHBondContact O-N 3.4Å; C705-K707 PolarHBondContact SG-N 3.41Å; C705-K707 VanDerWaalsContact SG-N 3.44Å
708C70.5Confident72.7Confident35 Ų3565.9 Ų65.924%0.23635%0.346CS..THydrogen-bonded Turntrans-88.6-21.6-175.168.90000114.2C681 C686 C705 L710 G711C681-C708 VanDerWaalsContact SG-SG 3.64Å; C686-C708 HydrophobicContact CB-CB 3.99Å; C686-C708 VanDerWaalsContact SG-CB 3.53Å; C686-C708 PolarHBondContact SG-SG 3.33Å; C705-C708 VanDerWaalsContact SG-SG 3.7Å; C708-L710 HydrophobicContact CB-CB 4.46Å; C708-L710 PolarHBondContact O-N 2.91Å; C708-L710 PolarHBondContact SG-N 3.16Å; C708-L710 VanDerWaalsContact SG-N 3.44Å; C708-G711 PolarHBondContact SG-N 3.39Å
709R73Confident71.3Confident192 Ų19268.5 Ų68.573%0.72537%0.371SS*.SBendtrans55.43.6-170.4-54.3-172.3-178.5-172.93.1115.9C705C705-R709 WeakPolarHBondContact O-CA 3.33Å; C705-R709 PolarHBondContact O-N 3.45Å
710L66.8Low70.3Confident99 Ų9969.2 Ų69.252%0.51836%0.359SS..SBendtrans-97-39178.8-66.3174.5000112.1C708C708-L710 HydrophobicContact CB-CB 4.46Å; C708-L710 PolarHBondContact O-N 2.91Å; C708-L710 PolarHBondContact SG-N 3.16Å; C708-L710 VanDerWaalsContact SG-N 3.44Å
711G71Confident69.1Low2 Ų266.4 Ų66.42%0.02133%0.333CS..SBendtrans-91.3169.1175.900000113.4D682 C705 C708D682-G711 WeakPolarHBondContact OD1-CA 3.35Å; C705-G711 VanDerWaalsContact CB-O 3.26Å; C705-G711 WeakPolarHBondContact CB-O 3.5Å; C705-G711 PolarHBondContact N-O 2.87Å; C708-G711 PolarHBondContact SG-N 3.39Å
712Y82.8Confident67.7Low69 Ų6970 Ų7027%0.27133%0.334SS..BIsolated β-bridgetrans-106.1147.5172.9-48.9-69.4000109.7C681 D682 N698 Q702 P703 Y704C681-Y712 CarbonylContact C-O 3.54Å; C681-Y712 WeakPolarHBondContact CA-O 3.11Å; D682-Y712 PolarHBondContact N-O 3.17Å; D682-Y712 PolarHBondContact OD1-N 3.44Å; D682-Y712 WeakPolarHBondContact OD2-CD2 3.36Å; N698-Y712 HydrophobicContact CB-CD1 3.9Å; N698-Y712 HydrophobicContact CB-CE1 3.47Å; N698-Y712 VanDerWaalsContact CB-CE1 3.47Å; N698-Y712 WeakPolarHBondContact ND2-CD1 3.36Å; N698-Y712 WeakPolarHBondContact ND2-CE1 3.38Å; Q702-Y712 HydrophobicContact CB-CG 4.47Å; P703-Y712 CarbonylContact O-C 3.57Å; P703-Y712 WeakPolarHBondContact O-CA 3.47Å; Y704-Y712 HydrophobicContact CD1-CD1 4.18Å; Y704-Y712 AromaticContact CD1-CE1 3.9Å; Y704-Y712 HydrophobicContact CD1-CE1 3.9Å; Y704-Y712 HydrophobicContact CE1-CD1 4.25Å; Y704-Y712 AromaticContact CE1-CE1 3.53Å; Y704-Y712 HydrophobicContact CE1-CE1 3.53Å; Y704-Y712 HydrophobicContact CE2-CE1 4.38Å; Y704-Y712 HydrophobicContact CG-CD1 4.46Å; Y704-Y712 HydrophobicContact CG-CE1 4.48Å; Y704-Y712 AromaticContact CZ-CE1 3.79Å
713L81.8Confident66Low4 Ų469 Ų692%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-87.9112.9177.8-73.3176.1000108.6L679 V680 C681 Y688 T690 P703 C705L679-L713 HydrophobicContact CB-CB 3.97Å; L679-L713 HydrophobicContact CB-CD2 4.21Å; L679-L713 HydrophobicContact CB-CG 4.45Å; L679-L713 HydrophobicContact CD1-CB 4.25Å; L679-L713 HydrophobicContact CD1-CD1 4.25Å; V680-L713 WeakPolarHBondContact O-CA 3.44Å; C681-L713 HydrophobicContact CB-CD2 4.31Å; Y688-L713 HydrophobicContact CD1-CD2 4.27Å; T690-L713 HydrophobicContact CG2-CD1 3.65Å; T690-L713 HydrophobicContact CG2-CD2 3.74Å; T690-L713 HydrophobicContact CG2-CG 4.36Å; P703-L713 HydrophobicContact CB-CB 4.29Å; P703-L713 HydrophobicContact CB-CD1 4.46Å; P703-L713 WeakPolarHBondContact CD-O 3.43Å; P703-L713 HydrophobicContact CG-CB 3.93Å; P703-L713 WeakPolarHBondContact O-CB 3.3Å; P703-L713 PolarHBondContact O-N 2.9Å; C705-L713 HydrophobicContact CB-CD2 4.33Å; C705-L713 HydrophobicContact CB-CG 4.35Å
714S76.1Confident64.1Low41 Ų4169.8 Ų69.829%0.28734%0.337SS..EExtended strand (participates in β ladder)trans-101.6154.6170.956.50000109.7L679 V680 E716L679-S714 CarbonylContact C-O 3.54Å; L679-S714 WeakPolarHBondContact CA-O 3.49Å; V680-S714 PolarHBondContact N-O 3.25Å; V680-S714 PolarHBondContact O-N 3.36Å; V680-S714 PolarHBondContact O-OG 3.19Å; S714-E716 PolarHBondContact O-N 2.75Å
715R71.4Confident62.4Low173 Ų17368.3 Ų68.365%0.65334%0.338SS*.EExtended strand (participates in β ladder)trans-64.2127172.4-74.2-172.8177.1-165.81.7108.9L679 V717L679-R715 HydrophobicContact CD2-CG 3.83Å; R715-V717 PolarHBondContact O-N 3.28Å
716E68.4Low60.7Low39 Ų3969.4 Ų69.418%0.18234%0.344CS..SBendtrans-56-38.5174-171.4174.7-153.200110.5W678 V680 R689 S714 N721W678-E716 HydrophobicContact CB-CB 4.03Å; W678-E716 WeakPolarHBondContact CB-OE2 3.48Å; W678-E716 PolarHBondContact O-N 2.72Å; V680-E716 HydrophobicContact CG2-CB 3.75Å; V680-E716 HydrophobicContact CG2-CG 3.76Å; R689-E716 IonicContact CZ-OE1 2.77Å; R689-E716 VanDerWaalsContact CZ-OE1 3.32Å; R689-E716 IonicContact CZ-OE2 3.24Å; R689-E716 VanDerWaalsContact NE-CD 3.26Å; R689-E716 IonicContact NE-OE1 3.17Å; R689-E716 PolarHBondContact NE-OE1 3.29Å; R689-E716 IonicContact NE-OE2 2.74Å; R689-E716 PolarHBondContact NE-OE2 3.22Å; R689-E716 IonicContact NH2-OE1 2.72Å; R689-E716 PolarHBondContact NH2-OE1 3.32Å; R689-E716 IonicContact NH2-OE2 3.12Å; R689-E716 PolarHBondContact NH2-OE2 3.32Å; S714-E716 PolarHBondContact O-N 2.75Å; E716-N721 PolarHBondContact O-ND2 2.92Å
717V55.2Low59.3Low51 Ų5166.6 Ų66.631%0.30933%0.33SS..SBendtrans-123.9101.7174.3-168.30000108.1R715 M724R715-V717 PolarHBondContact O-N 3.28Å; V717-M724 HydrophobicContact CG1-CB 3.82Å; V717-M724 HydrophobicContact CG1-CE 4.13Å; V717-M724 HydrophobicContact CG1-CG 3.98Å; V717-M724 HydrophobicContact CG1-SD 3.37Å; V717-M724 WeakPolarHBondContact CG1-SD 3.37Å
718S52.6Low58.2Low30 Ų3062.5 Ų62.521%0.2131%0.314CS..  trans-83155.9170.780.70000110.2H720 N721S718-H720 PolarHBondContact O-N 2.98Å; S718-H720 VanDerWaalsContact O-N 3.09Å; S718-H720 PolarHBondContact OG-N 2.99Å; S718-N721 WeakPolarHBondContact O-CB 3.32Å; S718-N721 PolarHBondContact O-N 3.32Å; S718-N721 PolarHBondContact OG-N 3.19Å; S718-N721 PolarHBondContact OG-OD1 3.47Å
719A42.6Very low57.3Low76 Ų7665.4 Ų65.463%0.62832%0.324SS*.THydrogen-bonded Turntrans-61-16.2171.300000112.4
720H44.8Very low56.4Low143 Ų14356.4 Ų56.466%0.66229%0.29SS*.THydrogen-bonded Turntrans-101.53.9175.9-56.4-47.7000112.9S718 R722S718-H720 PolarHBondContact O-N 2.98Å; S718-H720 VanDerWaalsContact O-N 3.09Å; S718-H720 PolarHBondContact OG-N 2.99Å; H720-R722 PolarHBondContact O-N 2.76Å
721N43.4Very low55.8Low18 Ų1852.9 Ų52.910%0.09627%0.271CS..  trans-68.6114.8177.9-96.918.2000108.1E716 S718 P723 M724 S725E716-N721 PolarHBondContact O-ND2 2.92Å; S718-N721 WeakPolarHBondContact O-CB 3.32Å; S718-N721 PolarHBondContact O-N 3.32Å; S718-N721 PolarHBondContact OG-N 3.19Å; S718-N721 PolarHBondContact OG-OD1 3.47Å; N721-P723 VanDerWaalsContact C-CD 3.41Å; N721-P723 HydrophobicContact CB-CG 4.1Å; N721-P723 VanDerWaalsContact O-N 3.13Å; N721-M724 PolarHBondContact O-N 2.96Å; N721-S725 PolarHBondContact O-N 2.97Å; N721-S725 PolarHBondContact O-OG 2.92Å
722R41.6Very low54.9Low118 Ų11855 Ų5545%0.44528%0.282SS..Hα-helixtrans-32.6-54164.4-89.5-168.5-162.7-156.35.1111.7E614 H720 M724 S725 L726E614-R722 IonicContact OE1-NH2 3.01Å; E614-R722 IonicContact OE2-CZ 3.32Å; E614-R722 IonicContact OE2-NE 3.39Å; E614-R722 IonicContact OE2-NH2 2.78Å; E614-R722 PolarHBondContact OE2-NH2 2.99Å; H720-R722 PolarHBondContact O-N 2.76Å; R722-M724 VanDerWaalsContact C-N 3.28Å; R722-M724 PolarHBondContact O-N 3.17Å; R722-M724 VanDerWaalsContact O-N 3.14Å; R722-S725 PolarHBondContact O-N 2.96Å; R722-S725 PolarHBondContact O-OG 3.3Å; R722-L726 HydrophobicContact CB-CD1 3.54Å; R722-L726 HydrophobicContact CB-CG 4.24Å; R722-L726 HydrophobicContact CG-CD1 3.99Å; R722-L726 VanDerWaalsContact O-CA 3.31Å; R722-L726 WeakPolarHBondContact O-CA 3.43Å; R722-L726 WeakPolarHBondContact O-CB 3.35Å; R722-L726 VanDerWaalsContact O-CD1 3.29Å; R722-L726 WeakPolarHBondContact O-CD1 3.3Å; R722-L726 WeakPolarHBondContact O-CG 3.48Å; R722-L726 PolarHBondContact O-N 3.24Å
723P43.5Very low53.3Low61 Ų6155.3 Ų55.340%0.39629%0.285SS..Hα-helixtrans-61.5-30.9-177.918.6-30000113.8N721 T727N721-P723 VanDerWaalsContact C-CD 3.41Å; N721-P723 HydrophobicContact CB-CG 4.1Å; N721-P723 VanDerWaalsContact O-N 3.13Å; P723-T727 WeakPolarHBondContact O-CA 3.43Å; P723-T727 WeakPolarHBondContact O-CB 3.43Å; P723-T727 PolarHBondContact O-N 3.44Å; P723-T727 PolarHBondContact O-OG1 3.46Å
724M43Very low52Low33 Ų3357.3 Ų57.316%0.16330%0.295CS..Hα-helixtrans-83.6-41.4178.1-157.2-176.9-151.900112.4F673 C674 V717 N721 R722 N728F673-M724 HydrophobicContact CB-CE 4.3Å; C674-M724 HydrophobicContact CB-CE 4.13Å; C674-M724 WeakPolarHBondContact SG-CE 3.44Å; V717-M724 HydrophobicContact CG1-CB 3.82Å; V717-M724 HydrophobicContact CG1-CE 4.13Å; V717-M724 HydrophobicContact CG1-CG 3.98Å; V717-M724 HydrophobicContact CG1-SD 3.37Å; V717-M724 WeakPolarHBondContact CG1-SD 3.37Å; N721-M724 PolarHBondContact O-N 2.96Å; R722-M724 VanDerWaalsContact C-N 3.28Å; R722-M724 PolarHBondContact O-N 3.17Å; R722-M724 VanDerWaalsContact O-N 3.14Å; M724-N728 WeakPolarHBondContact O-CB 3.42Å; M724-N728 PolarHBondContact O-N 3.36Å; M724-N728 PolarHBondContact O-ND2 3.01Å; M724-N728 VanDerWaalsContact O-ND2 3.17Å
725S45.1Very low50.8Low47 Ų4755.7 Ų55.733%0.32928%0.284SS..Hα-helixtrans-69.2-39.1175.1630000111.7N721 R722 Q729N721-S725 PolarHBondContact O-N 2.97Å; N721-S725 PolarHBondContact O-OG 2.92Å; R722-S725 PolarHBondContact O-N 2.96Å; R722-S725 PolarHBondContact O-OG 3.3Å; S725-Q729 WeakPolarHBondContact O-CB 3.1Å; S725-Q729 VanDerWaalsContact O-CG 3.28Å; S725-Q729 WeakPolarHBondContact O-CG 3.42Å; S725-Q729 PolarHBondContact O-N 3.32Å
726L46.7Very low49.4Very low23 Ų2351 Ų5112%0.1227%0.271CS..Hα-helixtrans-70-41.7173-64.3166000111.3I627 R722 N728 Q729 F730I627-L726 HydrophobicContact CB-CD2 4.46Å; I627-L726 HydrophobicContact CG2-CD2 3.04Å; I627-L726 HydrophobicContact CG2-CG 4.44Å; R722-L726 HydrophobicContact CB-CD1 3.54Å; R722-L726 HydrophobicContact CB-CG 4.24Å; R722-L726 HydrophobicContact CG-CD1 3.99Å; R722-L726 VanDerWaalsContact O-CA 3.31Å; R722-L726 WeakPolarHBondContact O-CA 3.43Å; R722-L726 WeakPolarHBondContact O-CB 3.35Å; R722-L726 VanDerWaalsContact O-CD1 3.29Å; R722-L726 WeakPolarHBondContact O-CD1 3.3Å; R722-L726 WeakPolarHBondContact O-CG 3.48Å; R722-L726 PolarHBondContact O-N 3.24Å; L726-N728 VanDerWaalsContact C-N 3.34Å; L726-Q729 CarbonylContact O-C 3.6Å; L726-Q729 PolarHBondContact O-N 3.14Å; L726-F730 WeakPolarHBondContact O-CA 3.34Å; L726-F730 WeakPolarHBondContact O-CB 3.43Å; L726-F730 PolarHBondContact O-N 3.2Å
727T50.1Low48.4Very low12 Ų1254.2 Ų54.27%0.07429%0.289CS..Hα-helixtrans-66.3-40.9174.6-65.60000109.8P723 F730 F731P723-T727 WeakPolarHBondContact O-CA 3.43Å; P723-T727 WeakPolarHBondContact O-CB 3.43Å; P723-T727 PolarHBondContact O-N 3.44Å; P723-T727 PolarHBondContact O-OG1 3.46Å; T727-F730 PolarHBondContact O-N 2.85Å; T727-F731 HydrophobicContact CG2-CD2 3.47Å; T727-F731 VanDerWaalsContact CG2-CD2 3.47Å; T727-F731 HydrophobicContact CG2-CE2 3.16Å; T727-F731 HydrophobicContact CG2-CZ 4.22Å; T727-F731 WeakPolarHBondContact O-CB 3.46Å; T727-F731 WeakPolarHBondContact O-CD2 3.39Å; T727-F731 WeakPolarHBondContact O-CG 3.38Å; T727-F731 PolarHBondContact O-N 3.28Å
728N52.7Low47.9Very low47 Ų4754.4 Ų54.425%0.25129%0.292SS..Hα-helixtrans-63.6-42.5172.7-73.2-20.4000111.7M724 L726 L732M724-N728 WeakPolarHBondContact O-CB 3.42Å; M724-N728 PolarHBondContact O-N 3.36Å; M724-N728 PolarHBondContact O-ND2 3.01Å; M724-N728 VanDerWaalsContact O-ND2 3.17Å; L726-N728 VanDerWaalsContact C-N 3.34Å; N728-L732 VanDerWaalsContact O-CB 3.22Å; N728-L732 WeakPolarHBondContact O-CB 3.35Å; N728-L732 WeakPolarHBondContact O-CD1 3.42Å; N728-L732 VanDerWaalsContact O-CG 3.25Å; N728-L732 WeakPolarHBondContact O-CG 3.46Å; N728-L732 PolarHBondContact O-N 3.36Å
729Q51.6Low47.1Very low95 Ų9555.9 Ų55.944%0.44430%0.301SS..Hα-helixtrans-67.9-35.5175.4-84.9177.4-24.900111.8S725 L726 L732 Q733S725-Q729 WeakPolarHBondContact O-CB 3.1Å; S725-Q729 VanDerWaalsContact O-CG 3.28Å; S725-Q729 WeakPolarHBondContact O-CG 3.42Å; S725-Q729 PolarHBondContact O-N 3.32Å; L726-Q729 CarbonylContact O-C 3.6Å; L726-Q729 PolarHBondContact O-N 3.14Å; Q729-L732 CarbonylContact O-C 3.56Å; Q729-L732 PolarHBondContact O-N 3.4Å; Q729-Q733 WeakPolarHBondContact O-CA 3.47Å; Q729-Q733 WeakPolarHBondContact O-CB 3.37Å; Q729-Q733 PolarHBondContact O-N 2.78Å
730F52.8Low46.7Very low4 Ų456.7 Ų56.72%0.01830%0.299CS..Hα-helixtrans-67.8-47.9176.6176.3-109.6000110V629 L726 T727 L732 Q733 I734V629-F730 HydrophobicContact CB-CD2 4.21Å; V629-F730 HydrophobicContact CG1-CB 4.29Å; V629-F730 HydrophobicContact CG1-CD2 3.79Å; V629-F730 HydrophobicContact CG1-CG 4.35Å; V629-F730 HydrophobicContact CG2-CD2 4.38Å; V629-F730 HydrophobicContact CG2-CE2 4.3Å; L726-F730 WeakPolarHBondContact O-CA 3.34Å; L726-F730 WeakPolarHBondContact O-CB 3.43Å; L726-F730 PolarHBondContact O-N 3.2Å; T727-F730 PolarHBondContact O-N 2.85Å; F730-L732 VanDerWaalsContact C-N 3.32Å; F730-L732 PolarHBondContact O-N 2.95Å; F730-Q733 PolarHBondContact O-N 3.26Å; F730-Q733 VanDerWaalsContact O-N 3.16Å; F730-I734 HydrophobicContact CD1-CD1 3.82Å; F730-I734 HydrophobicContact CD2-CD1 4.38Å; F730-I734 HydrophobicContact CE1-CD1 3.41Å; F730-I734 VanDerWaalsContact CE1-CD1 3.41Å; F730-I734 HydrophobicContact CE2-CD1 4.04Å; F730-I734 HydrophobicContact CE2-CG1 4.42Å; F730-I734 HydrophobicContact CG-CD1 4.3Å; F730-I734 HydrophobicContact CZ-CD1 3.56Å; F730-I734 HydrophobicContact CZ-CG1 4.39Å; F730-I734 WeakPolarHBondContact O-CB 3.48Å; F730-I734 VanDerWaalsContact O-CG1 3.3Å; F730-I734 WeakPolarHBondContact O-CG1 3.27Å; F730-I734 PolarHBondContact O-N 3.48Å
731F54.3Low46.2Very low24 Ų2458.9 Ų58.911%0.10531%0.307CS..Hα-helixtrans-60.6-42171.5-76.1-56.2000111.8F635 T727 I735F635-F731 HydrophobicContact CB-CE1 3.76Å; F635-F731 HydrophobicContact CB-CZ 4.31Å; F635-F731 AromaticContact CD2-CE1 3.47Å; F635-F731 HydrophobicContact CD2-CE1 3.47Å; F635-F731 VanDerWaalsContact CD2-CE1 3.47Å; F635-F731 AromaticContact CD2-CZ 3.98Å; F635-F731 HydrophobicContact CD2-CZ 3.98Å; F635-F731 HydrophobicContact CE2-CE1 4.34Å; F635-F731 AromaticContact CG-CE1 3.86Å; F635-F731 HydrophobicContact CG-CE1 3.86Å; T727-F731 HydrophobicContact CG2-CD2 3.47Å; T727-F731 VanDerWaalsContact CG2-CD2 3.47Å; T727-F731 HydrophobicContact CG2-CE2 3.16Å; T727-F731 HydrophobicContact CG2-CZ 4.22Å; T727-F731 WeakPolarHBondContact O-CB 3.46Å; T727-F731 WeakPolarHBondContact O-CD2 3.39Å; T727-F731 WeakPolarHBondContact O-CG 3.38Å; T727-F731 PolarHBondContact O-N 3.28Å; F731-I735 WeakPolarHBondContact O-CB 3.32Å; F731-I735 WeakPolarHBondContact O-CD1 3.49Å; F731-I735 WeakPolarHBondContact O-CG1 3.32Å; F731-I735 PolarHBondContact O-N 3.09Å; F731-I735 VanDerWaalsContact O-N 3.08Å
732L52.7Low45.9Very low48 Ų4866.8 Ų66.825%0.25134%0.343SS..Hα-helixtrans-64.5-37.9173.6-82.4163000112.1N728 Q729 F730 I735 L736 F764N728-L732 VanDerWaalsContact O-CB 3.22Å; N728-L732 WeakPolarHBondContact O-CB 3.35Å; N728-L732 WeakPolarHBondContact O-CD1 3.42Å; N728-L732 VanDerWaalsContact O-CG 3.25Å; N728-L732 WeakPolarHBondContact O-CG 3.46Å; N728-L732 PolarHBondContact O-N 3.36Å; Q729-L732 CarbonylContact O-C 3.56Å; Q729-L732 PolarHBondContact O-N 3.4Å; F730-L732 VanDerWaalsContact C-N 3.32Å; F730-L732 PolarHBondContact O-N 2.95Å; L732-I735 CarbonylContact O-C 3.6Å; L732-I735 PolarHBondContact O-N 3Å; L732-L736 HydrophobicContact CB-CD1 4.33Å; L732-L736 WeakPolarHBondContact O-CB 3.46Å; L732-L736 WeakPolarHBondContact O-CD1 3.27Å; L732-L736 WeakPolarHBondContact O-CG 3.48Å; L732-L736 PolarHBondContact O-N 3.2Å; L732-F764 HydrophobicContact CD2-CE2 4.3Å
733Q50Low45.5Very low74 Ų7470.5 Ų70.535%0.34636%0.357SS..Hα-helixtrans-76.4-36.2-176.7-167.1170.68.400111.3Q729 F730 I735 L736 L737Q729-Q733 WeakPolarHBondContact O-CA 3.47Å; Q729-Q733 WeakPolarHBondContact O-CB 3.37Å; Q729-Q733 PolarHBondContact O-N 2.78Å; F730-Q733 PolarHBondContact O-N 3.26Å; F730-Q733 VanDerWaalsContact O-N 3.16Å; Q733-I735 VanDerWaalsContact C-N 3.29Å; Q733-I735 PolarHBondContact O-N 3.4Å; Q733-L736 PolarHBondContact O-N 3.08Å; Q733-L737 HydrophobicContact CG-CD1 3.82Å; Q733-L737 WeakPolarHBondContact O-CB 3.29Å; Q733-L737 PolarHBondContact O-N 3.49Å
734I53Low44.9Very low46 Ų4672.3 Ų72.324%0.23637%0.37CS..Hα-helixtrans-57.4-44.4166-71171.7000109.8I650 F730 S738I650-I734 HydrophobicContact CG2-CD1 4.02Å; F730-I734 HydrophobicContact CD1-CD1 3.82Å; F730-I734 HydrophobicContact CD2-CD1 4.38Å; F730-I734 HydrophobicContact CE1-CD1 3.41Å; F730-I734 VanDerWaalsContact CE1-CD1 3.41Å; F730-I734 HydrophobicContact CE2-CD1 4.04Å; F730-I734 HydrophobicContact CE2-CG1 4.42Å; F730-I734 HydrophobicContact CG-CD1 4.3Å; F730-I734 HydrophobicContact CZ-CD1 3.56Å; F730-I734 HydrophobicContact CZ-CG1 4.39Å; F730-I734 WeakPolarHBondContact O-CB 3.48Å; F730-I734 VanDerWaalsContact O-CG1 3.3Å; F730-I734 WeakPolarHBondContact O-CG1 3.27Å; F730-I734 PolarHBondContact O-N 3.48Å; I734-S738 PolarHBondContact O-OG 2.99Å
735I50.9Low44.3Very low8 Ų878 Ų784%0.04141%0.407CS..Hα-helixtrans-74.7-38.7-178.9-68.6164.9000112.1F731 L732 Q733 S738 M759 R760 V763F731-I735 WeakPolarHBondContact O-CB 3.32Å; F731-I735 WeakPolarHBondContact O-CD1 3.49Å; F731-I735 WeakPolarHBondContact O-CG1 3.32Å; F731-I735 PolarHBondContact O-N 3.09Å; F731-I735 VanDerWaalsContact O-N 3.08Å; L732-I735 CarbonylContact O-C 3.6Å; L732-I735 PolarHBondContact O-N 3Å; Q733-I735 VanDerWaalsContact C-N 3.29Å; Q733-I735 PolarHBondContact O-N 3.4Å; I735-S738 WeakPolarHBondContact O-CB 3.37Å; I735-S738 PolarHBondContact O-N 3.45Å; I735-S738 PolarHBondContact O-OG 3.38Å; I735-M759 HydrophobicContact CG2-CB 4.28Å; I735-R760 HydrophobicContact CG2-CG 4.01Å; I735-V763 HydrophobicContact CD1-CG2 3.25Å
736L43.5Very low43.6Very low75 Ų7581.7 Ų81.739%0.39342%0.422SS..Hα-helixtrans-75.4-28.2-175.6-75.2168.6000112.9L732 Q733 S738 T739 R760L732-L736 HydrophobicContact CB-CD1 4.33Å; L732-L736 WeakPolarHBondContact O-CB 3.46Å; L732-L736 WeakPolarHBondContact O-CD1 3.27Å; L732-L736 WeakPolarHBondContact O-CG 3.48Å; L732-L736 PolarHBondContact O-N 3.2Å; Q733-L736 PolarHBondContact O-N 3.08Å; L736-S738 PolarHBondContact O-N 3.35Å; L736-T739 PolarHBondContact O-N 2.88Å; L736-T739 PolarHBondContact O-OG1 2.74Å; L736-R760 VanDerWaalsContact CD2-NH2 3.27Å
737L46.3Very low42.7Very low105 Ų10588.6 Ų88.655%0.5546%0.459SS..THydrogen-bonded Turntrans-79.5-3.1176.9-74.4162.7000113.8V653 Q733 T739V653-L737 HydrophobicContact CG1-CB 4.29Å; V653-L737 HydrophobicContact CG1-CD1 3.54Å; Q733-L737 HydrophobicContact CG-CD1 3.82Å; Q733-L737 WeakPolarHBondContact O-CB 3.29Å; Q733-L737 PolarHBondContact O-N 3.49Å; L737-T739 PolarHBondContact O-N 2.76Å
738S45.4Very low41.7Very low55 Ų5595.9 Ų95.939%0.38549%0.49SS..THydrogen-bonded Turntrans-72.5-9.4166.9-25.80000113.3I734 I735 L736 P740 I756I734-S738 PolarHBondContact O-OG 2.99Å; I735-S738 WeakPolarHBondContact O-CB 3.37Å; I735-S738 PolarHBondContact O-N 3.45Å; I735-S738 PolarHBondContact O-OG 3.38Å; L736-S738 PolarHBondContact O-N 3.35Å; S738-P740 WeakPolarHBondContact O-CD 3.37Å; S738-I756 WeakPolarHBondContact O-CD1 3.17Å
739T36.3Very low40.8Very low62 Ų62101.1 Ų101.138%0.3852%0.516SS..SBendtrans-86.5118.9178.454.80000111.2L736 L737 K741 I756L736-T739 PolarHBondContact O-N 2.88Å; L736-T739 PolarHBondContact O-OG1 2.74Å; L737-T739 PolarHBondContact O-N 2.76Å; T739-K741 PolarHBondContact O-N 3.09Å; T739-I756 HydrophobicContact CG2-CG2 4.16Å
740P32.3Very low39.7Very low93 Ų93102.7 Ų102.760%0.60453%0.533SS*.  trans-80.292.4175.831.6-29000108S738S738-P740 WeakPolarHBondContact O-CD 3.37Å
741K35.9Very low38.8Very low189 Ų189106.8 Ų106.882%0.82256%0.558SS**SBendtrans-176.5104.1157.7-99.4148.2-167.3-173.60107.8T739T739-K741 PolarHBondContact O-N 3.09Å
742E35.8Very low38Very low183 Ų183111.6 Ų111.686%0.85559%0.585SS**SBendtrans140-11.2138.9-74.2-179.1179.800117.1
743R33.5Very low37.4Very low196 Ų196115.3 Ų115.374%0.7461%0.605SS**SBendtrans-140.94.1-173.8-75.1-166.8-174.1171.66.2121.5
744C30.9Very low36.8Very low99 Ų99116.4 Ų116.467%0.66962%0.62SS**  trans-136.9119176.2-65.90000113I746C744-I746 PolarHBondContact O-N 2.95Å
745T30.1Very low36.3Very low152 Ų152117.2 Ų117.293%0.93363%0.629SS**  trans-71.565162.128.90000110.1
746I31.5Very low35.8Very low126 Ų126118.2 Ų118.265%0.64664%0.635SS**SBendtrans-142.9124.2167.9-54.7-177.5000108.4C744 F748C744-I746 PolarHBondContact O-N 2.95Å; I746-F748 HydrophobicContact CG2-CE2 4.26Å; I746-F748 PolarHBondContact O-N 3.06Å; I746-F748 VanDerWaalsContact O-N 3.15Å
747N27.3Very low35.7Very low168 Ų168117.6 Ų117.690%0.89864%0.636SS**  trans-56.3110.1179.3-75.1-28.5000111.2
748F29.8Very low35.4Very low165 Ų165114.3 Ų114.372%0.72462%0.621SS**  trans-114.4126.4160.7-82.6-84.4000109.2I746 T750I746-F748 HydrophobicContact CG2-CE2 4.26Å; I746-F748 PolarHBondContact O-N 3.06Å; I746-F748 VanDerWaalsContact O-N 3.15Å; F748-T750 PolarHBondContact O-N 3.45Å
749I32.8Very low35.2Very low157 Ų157114.8 Ų114.881%0.80562%0.618SS**  trans-62.3128.6179.5-65168.3000108.5T751I749-T751 PolarHBondContact O-N 3.34Å
750T28.8Very low35.3Very low128 Ų128117.7 Ų117.779%0.78562%0.622SS**  trans-68.8107-179.547.10000111.3F748F748-T750 PolarHBondContact O-N 3.45Å
751T34Very low35.8Very low90 Ų90118.7 Ų118.755%0.55262%0.621SS**  trans-127.4113.4165.2470000111.3I749I749-T751 PolarHBondContact O-N 3.34Å
752N37.7Very low36Very low125 Ų125111 Ų11167%0.66859%0.591SS**  trans44.797.5164-72.3-18.2000120C754 S755N752-C754 PolarHBondContact O-N 2.94Å; N752-C754 VanDerWaalsContact O-N 3.07Å; N752-S755 PolarHBondContact O-N 3.29Å; N752-S755 PolarHBondContact O-OG 2.77Å
753D38.9Very low36.4Very low126 Ų126102.6 Ų102.667%0.67455%0.552SS**Hα-helixtrans-54.9-19.7166.3-81.2-35.8000114.8S755 S757D753-S755 VanDerWaalsContact C-N 3.29Å; D753-S755 PolarHBondContact O-N 3.32Å; D753-S757 PolarHBondContact O-OG 2.86Å
754C38.7Very low36.6Very low97 Ų9797.5 Ų97.566%0.65554%0.536SS*.Hα-helixtrans-69.8-26179.1-133.60000112.7N752 S757 T758N752-C754 PolarHBondContact O-N 2.94Å; N752-C754 VanDerWaalsContact O-N 3.07Å; C754-S757 PolarHBondContact O-OG 2.76Å; C754-S757 VanDerWaalsContact O-OG 3.1Å; C754-T758 PolarHBondContact O-OG1 2.97Å
755S41.6Very low36.7Very low63 Ų6396.7 Ų96.744%0.44153%0.529SS..Hα-helixtrans-70.4-41.2-178.7-28.70000111.9N752 D753 T758 M759N752-S755 PolarHBondContact O-N 3.29Å; N752-S755 PolarHBondContact O-OG 2.77Å; D753-S755 VanDerWaalsContact C-N 3.29Å; D753-S755 PolarHBondContact O-N 3.32Å; S755-T758 PolarHBondContact O-N 2.71Å; S755-M759 PolarHBondContact O-N 2.59Å
756I40.3Very low36.8Very low29 Ų2994.6 Ų94.615%0.14951%0.512CS..Hα-helixtrans-77.3-42.3-170.3-63.4162000111.3S738 T739 T758 M759 R760S738-I756 WeakPolarHBondContact O-CD1 3.17Å; T739-I756 HydrophobicContact CG2-CG2 4.16Å; I756-T758 PolarHBondContact O-N 3.19Å; I756-M759 PolarHBondContact O-N 3.29Å; I756-R760 PolarHBondContact O-N 3.18Å; I756-R760 VanDerWaalsContact O-N 3.14Å
757S41.8Very low36.6Very low61 Ų6197 Ų9743%0.42752%0.517SS..Hα-helixtrans-58.5-34.9172.545.50000111.7D753 C754D753-S757 PolarHBondContact O-OG 2.86Å; C754-S757 PolarHBondContact O-OG 2.76Å; C754-S757 VanDerWaalsContact O-OG 3.1Å
758T40.9Very low36.7Very low37 Ų3793.2 Ų93.223%0.22751%0.509CS..Hα-helixtrans-77-27.8177.9-41.10000113.7C754 S755 I756 L761 C762C754-T758 PolarHBondContact O-OG1 2.97Å; S755-T758 PolarHBondContact O-N 2.71Å; I756-T758 PolarHBondContact O-N 3.19Å; T758-L761 PolarHBondContact O-N 3.33Å; T758-C762 PolarHBondContact O-SG 2.85Å; T758-C762 VanDerWaalsContact O-SG 3.35Å
759M39.8Very low36.7Very low64 Ų6491.9 Ų91.932%0.31551%0.51SS..Hα-helixtrans-70.6-35.9171.5-75.1-163-168.200112.4I735 S755 I756 L761 C762I735-M759 HydrophobicContact CG2-CB 4.28Å; S755-M759 PolarHBondContact O-N 2.59Å; I756-M759 PolarHBondContact O-N 3.29Å; M759-L761 PolarHBondContact O-N 3.32Å; M759-C762 PolarHBondContact O-N 3.22Å
760R40Very low36.6Very low123 Ų12385.9 Ų85.946%0.46448%0.484SS..Hα-helixtrans-56.3-38.2172.6-78.7-176175.2-179.90.3112.4I735 L736 I756 C762I735-R760 HydrophobicContact CG2-CG 4.01Å; L736-R760 VanDerWaalsContact CD2-NH2 3.27Å; I756-R760 PolarHBondContact O-N 3.18Å; I756-R760 VanDerWaalsContact O-N 3.14Å; R760-C762 VanDerWaalsContact C-N 3.3Å; R760-C762 PolarHBondContact O-N 3.26Å
761L40.9Very low36.7Very low114 Ų11485 Ų8560%0.59747%0.474SS*.Hα-helixtrans-70.2-21.6177-74162.5000113.5T758 M759 F764T758-L761 PolarHBondContact O-N 3.33Å; M759-L761 PolarHBondContact O-N 3.32Å; L761-F764 CarbonylContact O-C 3.35Å
762C41.3Very low36.5Very low28 Ų2885 Ų8519%0.18948%0.475CS..Hα-helixtrans-81.5-26.4-178.6-67.60000113.4T758 M759 R760 F764T758-C762 PolarHBondContact O-SG 2.85Å; T758-C762 VanDerWaalsContact O-SG 3.35Å; M759-C762 PolarHBondContact O-N 3.22Å; R760-C762 VanDerWaalsContact C-N 3.3Å; R760-C762 PolarHBondContact O-N 3.26Å; C762-F764 VanDerWaalsContact C-N 3.26Å
763V43.6Very low36Very low7 Ų789.8 Ų89.84%0.04248%0.484CS..Hα-helixtrans-73.6-24.1172.4-178.40000111.1I735 P765I735-V763 HydrophobicContact CD1-CG2 3.25Å; V763-P765 WeakPolarHBondContact O-CD 3.49Å
764F38.8Very low35.6Very low88 Ų8892 Ų9239%0.38649%0.488SS..  trans-122.579.5178.4-69.9-82.8000110.7L732 L761 C762 L766 L771L732-F764 HydrophobicContact CD2-CE2 4.3Å; L761-F764 CarbonylContact O-C 3.35Å; C762-F764 VanDerWaalsContact C-N 3.26Å; F764-L766 PolarHBondContact O-N 3.28Å; F764-L771 HydrophobicContact CD1-CD1 3.86Å; F764-L771 HydrophobicContact CE1-CD1 3.82Å
765P33.4Very low35.3Very low82 Ų8291.9 Ų91.953%0.53248%0.484SS..  trans-74.824.917932.1-34.2000113.5V763V763-P765 WeakPolarHBondContact O-CD 3.49Å
766L30.3Very low34.7Very low108 Ų10896.5 Ų96.557%0.56550%0.503SS*.SBendtrans-127.1129.3172.8-72.8164.5000106.6F764 A768 A770F764-L766 PolarHBondContact O-N 3.28Å; L766-A768 PolarHBondContact O-N 3.31Å; L766-A770 HydrophobicContact CB-CB 4.23Å
767K27.5Very low34.2Very low177 Ų17799.9 Ų99.977%0.7753%0.525SS*.  trans-34135.4174.3-74.5-179.7174.1-177.20110.1D769 A770K767-D769 PolarHBondContact O-N 3.5Å; K767-A770 PolarHBondContact O-N 3.37Å
768A30.3Very low33.9Very low88 Ų88101.6 Ų101.673%0.72753%0.528SS*.THydrogen-bonded Turntrans-52.3-7.4-17800000114.9L766L766-A768 PolarHBondContact O-N 3.31Å
769D29.7Very low33.7Very low137 Ų137103.9 Ų103.973%0.73354%0.543SS*.THydrogen-bonded Turntrans-85.1-5.5175.3-50.4-39.2000114.8K767K767-D769 PolarHBondContact O-N 3.5Å
770A30.4Very low33.7Very low31 Ų31105.5 Ų105.526%0.25656%0.56SS.*  trans-97.4-7.9-172.900000115.7L766 K767 W773L766-A770 HydrophobicContact CB-CB 4.23Å; K767-A770 PolarHBondContact O-N 3.37Å; A770-W773 PolarHBondContact O-N 3.33Å
771L30.3Very low33.8Very low110 Ų110103 Ų10358%0.57656%0.562SS**THydrogen-bonded Turntrans-59.8-31.1-176.2-114105.5000115.9F764 W773F764-L771 HydrophobicContact CD1-CD1 3.86Å; F764-L771 HydrophobicContact CE1-CD1 3.82Å; L771-W773 PolarHBondContact O-N 3.3Å
772P29.8Very low33.8Very low91 Ų91100 Ų10059%0.59155%0.554SS**THydrogen-bonded Turntrans-71.5-14.8178.5-18.831.7000114.7
773W28.6Very low33.7Very low225 Ų225103.5 Ų103.585%0.85257%0.57SS**THydrogen-bonded Turntrans-104-16.2-167.1-71.392.4000114.9A770 L771A770-W773 PolarHBondContact O-N 3.33Å; L771-W773 PolarHBondContact O-N 3.3Å
774F30.5Very low33.6Very low172 Ų172109.8 Ų109.875%0.75460%0.597SS**SBendtrans-104.6-10.9-169-117.3-92.6000115.4
775V31.3Very low33.7Very low95 Ų95110.7 Ų110.758%0.57661%0.605SS**SBendtrans-119.7131.9169.8-179.40000106.3T777V775-T777 PolarHBondContact O-N 2.86Å; V775-T777 PolarHBondContact O-OG1 3.05Å
776L29.8Very low33.9Very low159 Ų159114.2 Ų114.283%0.83261%0.612SS**  trans-67.264.7173.7-110147.6000109.5I778L776-I778 HydrophobicContact CD2-CG1 3.86Å; L776-I778 PolarHBondContact O-N 3.41Å
777T30.6Very low34.5Very low101 Ų101113.9 Ų113.962%0.6261%0.61SS**  trans-67.988.9151.413.70000104.9V775 T779V775-T777 PolarHBondContact O-N 2.86Å; V775-T777 PolarHBondContact O-OG1 3.05Å; T777-T779 VanDerWaalsContact C-N 3.32Å; T777-T779 PolarHBondContact O-N 3.25Å
778I34.8Very low35.1Very low96 Ų96110.4 Ų110.449%0.49260%0.599SS.*  trans-52.3106.3165.3-64.8176.6000104.9L776 S780 A782 L783L776-I778 HydrophobicContact CD2-CG1 3.86Å; L776-I778 PolarHBondContact O-N 3.41Å; I778-S780 PolarHBondContact O-N 3.25Å; I778-A782 HydrophobicContact CG2-CB 3.94Å; I778-L783 HydrophobicContact CG2-CB 4.12Å; I778-L783 HydrophobicContact CG2-CD1 4.14Å
779T36Very low35.5Very low86 Ų86112.3 Ų112.353%0.52860%0.597SS.*  trans-53.8134.6170.351.10000106.7T777 S781 A782T777-T779 VanDerWaalsContact C-N 3.32Å; T777-T779 PolarHBondContact O-N 3.25Å; T779-S781 VanDerWaalsContact CB-OG 3.25Å; T779-S781 WeakPolarHBondContact CB-OG 3.49Å; T779-S781 PolarHBondContact O-N 3.25Å; T779-S781 PolarHBondContact OG1-OG 3.11Å; T779-A782 PolarHBondContact O-N 2.95Å
780S39.2Very low36Very low98 Ų98110.3 Ų110.369%0.68559%0.593SS**Hα-helixtrans-48.8-24.4179-67.90000112.8I778 F784I778-S780 PolarHBondContact O-N 3.25Å; S780-F784 WeakPolarHBondContact O-CB 3.41Å; S780-F784 PolarHBondContact O-N 3.28Å
781S42.1Very low36.5Very low70 Ų70113.4 Ų113.449%0.4961%0.613SS.*Hα-helixtrans-62.3-37.2171.647.40000115.3T779 L785T779-S781 VanDerWaalsContact CB-OG 3.25Å; T779-S781 WeakPolarHBondContact CB-OG 3.49Å; T779-S781 PolarHBondContact O-N 3.25Å; T779-S781 PolarHBondContact OG1-OG 3.11Å; S781-L785 WeakPolarHBondContact O-CB 3.44Å; S781-L785 WeakPolarHBondContact O-CD1 3.44Å; S781-L785 PolarHBondContact O-N 3.44Å
782A41.3Very low36.8Very low52 Ų52111.8 Ų111.843%0.4361%0.611SS.*Hα-helixtrans-75.5-32.6178.100000112.4I778 T779 F786I778-A782 HydrophobicContact CG2-CB 3.94Å; T779-A782 PolarHBondContact O-N 2.95Å; A782-F786 PolarHBondContact O-N 3.23Å
783L39.4Very low36.9Very low101 Ų101111.3 Ų111.353%0.52962%0.623SS.*Hα-helixtrans-71.9-39.5172.7-148.580.8000111.1I778 F786 I787I778-L783 HydrophobicContact CG2-CB 4.12Å; I778-L783 HydrophobicContact CG2-CD1 4.14Å; L783-F786 PolarHBondContact O-N 2.96Å; L783-I787 VanDerWaalsContact O-CG1 3.3Å; L783-I787 WeakPolarHBondContact O-CG1 3.35Å; L783-I787 PolarHBondContact O-N 3.49Å
784F41.5Very low36.9Very low138 Ų138107.6 Ų107.661%0.60562%0.62SS**Hα-helixtrans-65.9-40.5174-109.1-96.7000112.8S780 F786 I787 L788S780-F784 WeakPolarHBondContact O-CB 3.41Å; S780-F784 PolarHBondContact O-N 3.28Å; F784-F786 VanDerWaalsContact C-N 3.33Å; F784-F786 PolarHBondContact O-N 2.63Å; F784-I787 PolarHBondContact O-N 2.95Å; F784-L788 HydrophobicContact CD1-CD1 4.11Å; F784-L788 WeakPolarHBondContact O-CB 3.44Å; F784-L788 VanDerWaalsContact O-CG 3.32Å; F784-L788 WeakPolarHBondContact O-CG 3.08Å; F784-L788 PolarHBondContact O-N 3.38Å
785L40.7Very low37.1Very low107 Ų107105.8 Ų105.856%0.5662%0.622SS**Hα-helixtrans-63.5-37.8176.3-111.190.9000112S781 L788 L789S781-L785 WeakPolarHBondContact O-CB 3.44Å; S781-L785 WeakPolarHBondContact O-CD1 3.44Å; S781-L785 PolarHBondContact O-N 3.44Å; L785-L788 PolarHBondContact O-N 3.29Å; L785-L789 HydrophobicContact CD2-CD1 4.48Å; L785-L789 VanDerWaalsContact O-CB 3.24Å; L785-L789 WeakPolarHBondContact O-CB 3.44Å; L785-L789 WeakPolarHBondContact O-CD1 3.32Å; L785-L789 WeakPolarHBondContact O-CG 3.39Å; L785-L789 PolarHBondContact O-N 3.09Å
786F37.3Very low37.1Very low156 Ų156110.9 Ų110.968%0.68464%0.637SS**Hα-helixtrans-70.9-33.8179.5-138.1-89.4000112.7A782 L783 F784 S790A782-F786 PolarHBondContact O-N 3.23Å; L783-F786 PolarHBondContact O-N 2.96Å; F784-F786 VanDerWaalsContact C-N 3.33Å; F784-F786 PolarHBondContact O-N 2.63Å; F786-S790 PolarHBondContact O-N 3.47Å; F786-S790 PolarHBondContact O-OG 2.94Å
787I43.2Very low37.3Very low101 Ų101107.2 Ų107.252%0.51863%0.629SS.*Hα-helixtrans-74.4-38.5175.4-66.8169.1000111L783 F784 S791L783-I787 VanDerWaalsContact O-CG1 3.3Å; L783-I787 WeakPolarHBondContact O-CG1 3.35Å; L783-I787 PolarHBondContact O-N 3.49Å; F784-I787 PolarHBondContact O-N 2.95Å; I787-S791 PolarHBondContact O-OG 3.41Å
788L40.7Very low37.2Very low105 Ų105110.6 Ų110.655%0.5564%0.642SS.*Hα-helixtrans-70.5-37.9176.5-76.1165.1000112.7F784 L785 S790 S791 S792F784-L788 HydrophobicContact CD1-CD1 4.11Å; F784-L788 WeakPolarHBondContact O-CB 3.44Å; F784-L788 VanDerWaalsContact O-CG 3.32Å; F784-L788 WeakPolarHBondContact O-CG 3.08Å; F784-L788 PolarHBondContact O-N 3.38Å; L785-L788 PolarHBondContact O-N 3.29Å; L788-S790 VanDerWaalsContact C-N 3.31Å; L788-S790 PolarHBondContact O-N 3.28Å; L788-S791 PolarHBondContact O-N 3.35Å; L788-S792 PolarHBondContact O-N 3.47Å; L788-S792 PolarHBondContact O-OG 3.14Å
789L38.4Very low37.2Very low128 Ų128111 Ų11167%0.6765%0.651SS**Hα-helixtrans-72.8-19.7177.8-74.1165.5000113.8L785L785-L789 HydrophobicContact CD2-CD1 4.48Å; L785-L789 VanDerWaalsContact O-CB 3.24Å; L785-L789 WeakPolarHBondContact O-CB 3.44Å; L785-L789 WeakPolarHBondContact O-CD1 3.32Å; L785-L789 WeakPolarHBondContact O-CG 3.39Å; L785-L789 PolarHBondContact O-N 3.09Å
790S41Very low36.8Very low95 Ų95116.6 Ų116.666%0.66467%0.668SS**THydrogen-bonded Turntrans-88.4-9.7175.7-580000113.2F786 L788F786-S790 PolarHBondContact O-N 3.47Å; F786-S790 PolarHBondContact O-OG 2.94Å; L788-S790 VanDerWaalsContact C-N 3.31Å; L788-S790 PolarHBondContact O-N 3.28Å
791S41Very low36.4Very low96 Ų96117.7 Ų117.767%0.67168%0.675SS**THydrogen-bonded Turntrans-114.8-3.7-170.6-500000113.9I787 L788I787-S791 PolarHBondContact O-OG 3.41Å; L788-S791 PolarHBondContact O-N 3.35Å
792S36.2Very low35.8Very low76 Ų76122.8 Ų122.853%0.53170%0.696SS.*  trans-126.399.7-179.647.70000110.6L788 D794L788-S792 PolarHBondContact O-N 3.47Å; L788-S792 PolarHBondContact O-OG 3.14Å; S792-D794 VanDerWaalsContact C-N 3.32Å; S792-D794 PolarHBondContact O-N 3.02Å; S792-D794 VanDerWaalsContact O-N 3.08Å
793G30.7Very low35.1Very low81 Ų81129.5 Ų129.584%0.83572%0.718SS**  trans-77.580.4171.800000110.5
794D30.3Very low34.5Very low147 Ų147135.9 Ų135.979%0.78674%0.735SS**  trans177.5140.2153.9-101.6-35.1000108.3S792S792-D794 VanDerWaalsContact C-N 3.32Å; S792-D794 PolarHBondContact O-N 3.02Å; S792-D794 VanDerWaalsContact O-N 3.08Å
795V34Very low33.9Very low134 Ų134141 Ų14181%0.81277%0.769SS**  trans158.2103.4141.5168.70000108.7
796K30.3Very low33.5Very low202 Ų202142.8 Ų142.888%0.87878%0.78SS**  trans-63.7146.1157.6-70.5171.3175.81720109.2
797A34.6Very low33.3Very low82 Ų82142.1 Ų142.168%0.67879%0.785SS**  trans86.5106.8165.100000117.2
798L29.7Very low32.8Very low171 Ų171144.3 Ų144.390%0.89580%0.799SS**  -176.8156.891.5-115.499.7000111.8
799P33.1Very low32.3Very low104 Ų104146.6 Ų146.668%0.67581%0.814SS**  trans-108.5166.5-158.940.1-32.3000116.3
800K29.1Very low31.9Very low204 Ų204147.8 Ų147.889%0.88782%0.823SS**  trans38.285.5146.4-68.1-178.4177.9179.30117.9
801C29Very low31.3Very low122 Ų122151.3 Ų151.382%0.82483%0.834SS**  trans-155.997150-950000107.5
802L31.3Very low30.6Very low177 Ų177155.3 Ų155.393%0.92785%0.845SS**  trans171.361158.5-90.6155.8000108.6
803Q26.3Very low30.2Very low193 Ų193161.4 Ų161.490%0.90287%0.869SS**  trans-125.586.9157.3-96-172.7-20.600105.8
804R26.9Very low30.2Very low235 Ų235168.1 Ų168.189%0.88787%0.872SS**  trans162.791.1160.9-96.6172.9178.2-177.2-0.4108.2
805N27.5Very low30.2Very low246 Ų246170 Ų170100%1.31688%0.88SS**  trans179.50142.1-88.1-15.3000109.1

Retrieved 805 of 805 residues in 471.4 ms (Link to these results)

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