A0A493TGV6_ANAPP Loading...

Ubiquitin-like domain-containing CTD phosphatase 1

AlphaFold DB , UniProt , Accession A0A493TGV6, Species ANAPP (Anas platyrhynchos platyrhynchos, Northern mallard), Gene UBLCP1, Length 318 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
1M61.6Low80.7Confident178 Ų17856.7 Ų56.788%0.87738%0.378SS*.  0143.60-75-178-86.800108.2S20M1-S20 WeakPolarHBondContact O-CA 3.4Å
2S66.5Low81Confident105 Ų10561.8 Ų61.873%0.73439%0.393SS*.EExtended strand (participates in β ladder)trans-70.9129.2176.153.50000110
3L75.8Confident81.7Confident23 Ų2364.3 Ų64.312%0.1240%0.396CS..EExtended strand (participates in β ladder)trans-95.5133.8-178.8-16477.1000109.5L5 L19 L61 L66L3-L5 HydrophobicContact CD2-CD1 3.76Å; L3-L5 HydrophobicContact CD2-CD2 3.88Å; L3-L5 HydrophobicContact CD2-CG 3.76Å; L3-L5 HydrophobicContact CG-CD2 4.19Å; L3-L5 HydrophobicContact CG-CG 4.12Å; L3-L19 PolarHBondContact N-O 2.71Å; L3-L61 HydrophobicContact CD2-CB 4.1Å; L3-L61 HydrophobicContact CD2-CD1 4.25Å; L3-L66 HydrophobicContact CD2-CD1 4.39Å
4S81.8Confident82.2Confident37 Ų3761.9 Ų61.926%0.25938%0.377SS..EExtended strand (participates in β ladder)trans-107.6112.8174-179.80000110I16 N69S4-I16 WeakPolarHBondContact CA-O 3.42Å; S4-N69 PolarHBondContact O-N 3.38Å; S4-N69 PolarHBondContact OG-OD1 2.69Å
5L86Confident82.6Confident1 Ų163.5 Ų63.51%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-117.7141.6179.7-63.4178.7000111L3 I7 T15 I16 L28 L66 I72L3-L5 HydrophobicContact CD2-CD1 3.76Å; L3-L5 HydrophobicContact CD2-CD2 3.88Å; L3-L5 HydrophobicContact CD2-CG 3.76Å; L3-L5 HydrophobicContact CG-CD2 4.19Å; L3-L5 HydrophobicContact CG-CG 4.12Å; L5-I7 HydrophobicContact CB-CD1 4.48Å; L5-T15 CarbonylContact O-C 3.06Å; L5-T15 WeakPolarHBondContact O-CA 3.36Å; L5-I16 PolarHBondContact N-O 3.18Å; L5-I16 PolarHBondContact O-N 3.14Å; L5-L28 HydrophobicContact CD1-CD1 4.06Å; L5-L28 HydrophobicContact CD1-CD2 4.09Å; L5-L66 HydrophobicContact CD1-CD1 4.31Å; L5-L66 HydrophobicContact CD2-CB 4.36Å; L5-L66 HydrophobicContact CD2-CD1 3.78Å; L5-I72 HydrophobicContact CD1-CD1 4.49Å; L5-I72 HydrophobicContact CD2-CD1 4.28Å
6I88.6Confident82.8Confident23 Ų2359.8 Ų59.812%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-112.1118174.5-58.6173.1000108.3E13 Y14 N69 T70 K71 I72I6-E13 HydrophobicContact CG2-CB 4.17Å; I6-Y14 WeakPolarHBondContact CA-O 3.48Å; I6-N69 HydrophobicContact CD1-CB 4.26Å; I6-T70 PolarHBondContact N-O 3.28Å; I6-K71 HydrophobicContact CB-CG 4.14Å; I6-K71 HydrophobicContact CD1-CG 4.46Å; I6-K71 HydrophobicContact CG2-CG 4.15Å; I6-K71 CarbonylContact O-C 3.46Å; I6-K71 WeakPolarHBondContact O-CA 3.35Å; I6-I72 PolarHBondContact O-N 3.48Å
7I90.9Very high82.9Confident0 Ų061.6 Ų61.60%038%0.375CS..EExtended strand (participates in β ladder)trans-106.3126.9180-51.1-57.2000109.6L5 E13 Y14 I16 L32 I72 M74L5-I7 HydrophobicContact CB-CD1 4.48Å; I7-E13 CarbonylContact O-C 3.51Å; I7-E13 WeakPolarHBondContact O-CA 3.1Å; I7-Y14 PolarHBondContact N-O 2.72Å; I7-Y14 PolarHBondContact O-N 2.89Å; I7-I16 HydrophobicContact CG1-CD1 3.82Å; I7-L32 HydrophobicContact CB-CD2 3.9Å; I7-L32 HydrophobicContact CG1-CD1 4.16Å; I7-L32 HydrophobicContact CG1-CD2 3.88Å; I7-L32 HydrophobicContact CG1-CG 4.42Å; I7-L32 HydrophobicContact CG2-CD1 4.07Å; I7-L32 HydrophobicContact CG2-CD2 3.76Å; I7-I72 CarbonylContact C-O 3.31Å; I7-I72 WeakPolarHBondContact CA-O 3.45Å; I7-I72 HydrophobicContact CD1-CB 3.67Å; I7-I72 HydrophobicContact CD1-CD1 3.86Å; I7-I72 HydrophobicContact CD1-CG1 4.31Å; I7-I72 HydrophobicContact CD1-CG2 4.14Å; I7-M74 HydrophobicContact CG2-CB 3.63Å
8K88.7Confident82.8Confident66 Ų6663.6 Ų63.629%0.28739%0.392SS..EExtended strand (participates in β ladder)trans-101.5121.1176.1-83.8-174.8170-168.20110.7Q12 E13 I72 M73 M74K8-Q12 WeakPolarHBondContact CA-O 3.26Å; K8-E13 WeakPolarHBondContact CE-OE1 3.44Å; K8-E13 HydrophobicContact CG-CG 3.96Å; K8-E13 IonicContact NZ-OE1 3.19Å; K8-E13 PolarHBondContact NZ-OE1 3.09Å; K8-I72 PolarHBondContact N-O 3.47Å; K8-M73 HydrophobicContact CB-CE 4.11Å; K8-M73 HydrophobicContact CB-SD 3.33Å; K8-M73 WeakPolarHBondContact CB-SD 3.28Å; K8-M73 HydrophobicContact CD-SD 3.48Å; K8-M73 WeakPolarHBondContact CD-SD 3.17Å; K8-M73 HydrophobicContact CG-SD 4.02Å; K8-M74 PolarHBondContact O-N 3.07Å
9W88.4Confident82.9Confident32 Ų3260.9 Ų60.912%0.12138%0.375CS..EExtended strand (participates in β ladder)trans-151.9138.6178.317874.1000110.5G11 Q12 Y14 T36 V38 M74 G76 R78W9-G11 PolarHBondContact O-N 3.3Å; W9-G11 VanDerWaalsContact O-N 3.12Å; W9-Q12 PolarHBondContact N-O 2.79Å; W9-Q12 PolarHBondContact O-N 3.49Å; W9-Y14 HydrophobicContact CB-CE2 4.23Å; W9-Y14 AromaticContact CE3-CE2 3.95Å; W9-Y14 HydrophobicContact CE3-CE2 3.95Å; W9-T36 HydrophobicContact CD2-CG2 4.29Å; W9-T36 HydrophobicContact CE3-CG2 3.76Å; W9-T36 HydrophobicContact CZ3-CG2 4.31Å; W9-V38 HydrophobicContact CD2-CG2 4.45Å; W9-V38 HydrophobicContact CH2-CG2 3.95Å; W9-V38 HydrophobicContact CZ2-CG2 3.33Å; W9-M74 HydrophobicContact CB-CB 4.25Å; W9-M74 HydrophobicContact CB-CE 3.94Å; W9-M74 HydrophobicContact CB-SD 4.26Å; W9-M74 HydrophobicContact CD2-CE 4.05Å; W9-M74 HydrophobicContact CD2-SD 4.47Å; W9-M74 HydrophobicContact CG-CE 3.62Å; W9-M74 HydrophobicContact CG-SD 3.75Å; W9-G76 PolarHBondContact NE1-O 3.43Å; W9-R78 HydrophobicContact CH2-CG 3.74Å; W9-R78 VanDerWaalsContact CH2-NE 3.33Å; W9-R78 HydrophobicContact CZ2-CG 4.13Å
10G79.9Confident83.1Confident69 Ų6959.6 Ų59.671%0.71137%0.368SS*.THydrogen-bonded Turntrans59.225.417700000115.3Q12G10-Q12 VanDerWaalsContact C-N 3.29Å; G10-Q12 PolarHBondContact O-N 2.61Å
11G79.8Confident83.2Confident90 Ų9060.3 Ų60.393%0.92837%0.367SS*.THydrogen-bonded Turntrans80.60.3-175.200000115.2W9W9-G11 PolarHBondContact O-N 3.3Å; W9-G11 VanDerWaalsContact O-N 3.12Å
12Q83.9Confident84.3Confident118 Ų11857.7 Ų57.755%0.55135%0.353SS*.EExtended strand (participates in β ladder)trans-109.1156.8177.8-61.2-176.47.400111.8K8 W9 G10 Y14K8-Q12 WeakPolarHBondContact CA-O 3.26Å; W9-Q12 PolarHBondContact N-O 2.79Å; W9-Q12 PolarHBondContact O-N 3.49Å; G10-Q12 VanDerWaalsContact C-N 3.29Å; G10-Q12 PolarHBondContact O-N 2.61Å; Q12-Y14 HydrophobicContact CB-CE2 3.96Å; Q12-Y14 PolarHBondContact OE1-OH 3.08Å; Q12-Y14 VanDerWaalsContact OE1-OH 3.13Å
13E90.6Very high85.4Confident94 Ų9454.9 Ų54.944%0.43933%0.33SS..EExtended strand (participates in β ladder)trans-108.6129.6174.4-57.3-161.4169.700110.3I6 I7 K8 K71I6-E13 HydrophobicContact CG2-CB 4.17Å; I7-E13 CarbonylContact O-C 3.51Å; I7-E13 WeakPolarHBondContact O-CA 3.1Å; K8-E13 WeakPolarHBondContact CE-OE1 3.44Å; K8-E13 HydrophobicContact CG-CG 3.96Å; K8-E13 IonicContact NZ-OE1 3.19Å; K8-E13 PolarHBondContact NZ-OE1 3.09Å; E13-K71 IonicContact OE1-NZ 3.88Å; E13-K71 PolarHBondContact OE1-NZ 3.11Å; E13-K71 IonicContact OE2-NZ 3.65Å; E13-K71 PolarHBondContact OE2-NZ 3.43Å
14Y88.3Confident86.1Confident31 Ų3155.2 Ų55.212%0.12233%0.333CS..EExtended strand (participates in β ladder)trans-115.4121.1178.1-59.4-90.3000109.3I6 I7 W9 Q12 L35 T36I6-Y14 WeakPolarHBondContact CA-O 3.48Å; I7-Y14 PolarHBondContact N-O 2.72Å; I7-Y14 PolarHBondContact O-N 2.89Å; W9-Y14 HydrophobicContact CB-CE2 4.23Å; W9-Y14 AromaticContact CE3-CE2 3.95Å; W9-Y14 HydrophobicContact CE3-CE2 3.95Å; Q12-Y14 HydrophobicContact CB-CE2 3.96Å; Q12-Y14 PolarHBondContact OE1-OH 3.08Å; Q12-Y14 VanDerWaalsContact OE1-OH 3.13Å; Y14-L35 HydrophobicContact CD1-CB 4.05Å; Y14-L35 HydrophobicContact CE1-CB 4.48Å; Y14-T36 HydrophobicContact CD1-CG2 4.44Å; Y14-T36 HydrophobicContact CD2-CG2 4.15Å; Y14-T36 HydrophobicContact CE1-CG2 4.25Å; Y14-T36 HydrophobicContact CE2-CG2 3.94Å; Y14-T36 HydrophobicContact CG-CG2 4.4Å
15T88.8Confident86.5Confident85 Ų8553.5 Ų53.552%0.52132%0.321SS..EExtended strand (participates in β ladder)trans-98.1124.5178.6-54.10000109.8L5 T17L5-T15 CarbonylContact O-C 3.06Å; L5-T15 WeakPolarHBondContact O-CA 3.36Å; T15-T17 HydrophobicContact CG2-CG2 4.12Å
16I85.6Confident86.7Confident4 Ų456.3 Ų56.32%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-111.1116.3-179.9-55.8175.1000108.3S4 L5 I7 L19 L28 L32 L35S4-I16 WeakPolarHBondContact CA-O 3.42Å; L5-I16 PolarHBondContact N-O 3.18Å; L5-I16 PolarHBondContact O-N 3.14Å; I7-I16 HydrophobicContact CG1-CD1 3.82Å; I16-L19 HydrophobicContact CG2-CD1 3.68Å; I16-L19 HydrophobicContact CG2-CG 3.9Å; I16-L28 HydrophobicContact CD1-CD1 3.49Å; I16-L28 VanDerWaalsContact CD1-CD1 3.49Å; I16-L32 HydrophobicContact CD1-CD2 3.79Å; I16-L32 HydrophobicContact CD1-CG 3.81Å; I16-L35 HydrophobicContact CG1-CD1 4.12Å
17T84.3Confident86.8Confident92 Ų9257.5 Ų57.556%0.56434%0.342SS*.EExtended strand (participates in β ladder)trans-118.9-5.2179.854.40000113.1T15 L19T15-T17 HydrophobicContact CG2-CG2 4.12Å; T17-L19 VanDerWaalsContact C-N 3.34Å
18S80.8Confident86.7Confident96 Ų9657.5 Ų57.567%0.67134%0.342SS*.EExtended strand (participates in β ladder)trans-84.5-4-174.555.10000114.3
19L84.4Confident86.8Confident13 Ų1355.6 Ų55.67%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-105.1158.1-176.8-60.2171.1000111.1L3 I16 T17 D23 D27 L28 L61L3-L19 PolarHBondContact N-O 2.71Å; I16-L19 HydrophobicContact CG2-CD1 3.68Å; I16-L19 HydrophobicContact CG2-CG 3.9Å; T17-L19 VanDerWaalsContact C-N 3.34Å; L19-D23 HydrophobicContact CD2-CB 4.18Å; L19-D27 HydrophobicContact CD2-CB 4.35Å; L19-L28 HydrophobicContact CD1-CB 3.96Å; L19-L28 HydrophobicContact CD1-CD1 3.75Å; L19-L28 HydrophobicContact CD1-CG 4.49Å; L19-L61 HydrophobicContact CB-CD1 4.12Å; L19-L61 HydrophobicContact CD1-CD1 4.1Å
20S87.1Confident86.9Confident34 Ų3459.1 Ų59.124%0.23835%0.351CS..EExtended strand (participates in β ladder)trans-123.3172.9-178.975.30000110.8M1 E22 D23M1-S20 WeakPolarHBondContact O-CA 3.4Å; S20-E22 PolarHBondContact O-N 2.87Å; S20-E22 PolarHBondContact OG-N 3.12Å; S20-D23 WeakPolarHBondContact CA-OD2 3.48Å; S20-D23 WeakPolarHBondContact CB-OD2 3.26Å; S20-D23 PolarHBondContact N-OD2 3.31Å; S20-D23 PolarHBondContact O-N 2.74Å; S20-D23 PolarHBondContact OG-OD2 2.78Å
21E85.8Confident87.3Confident75 Ų7557.5 Ų57.535%0.3533%0.329SS..THydrogen-bonded Turntrans-65.9-18.9176.6-69.7177.7-162.500113.9G62E21-G62 PolarHBondContact O-N 3.44Å
22E85.4Confident87.8Confident124 Ų12453.2 Ų53.258%0.57929%0.285SS*.THydrogen-bonded Turntrans-84.9-20.2-179.8-64.3-58143.700113.2S20 K60S20-E22 PolarHBondContact O-N 2.87Å; S20-E22 PolarHBondContact OG-N 3.12Å; E22-K60 IonicContact OE2-NZ 3.19Å; E22-K60 PolarHBondContact OE2-NZ 3.14Å
23D88.3Confident88Confident46 Ų4652.3 Ų52.325%0.24628%0.279CS..SBendtrans-70.8158.1176.8-61.6-61.8000110.9L19 S20 D27 K60 L61L19-D23 HydrophobicContact CD2-CB 4.18Å; S20-D23 WeakPolarHBondContact CA-OD2 3.48Å; S20-D23 WeakPolarHBondContact CB-OD2 3.26Å; S20-D23 PolarHBondContact N-OD2 3.31Å; S20-D23 PolarHBondContact O-N 2.74Å; S20-D23 PolarHBondContact OG-OD2 2.78Å; D23-D27 HydrophobicContact CB-CB 4.11Å; D23-K60 CarbonylContact O-C 3.57Å; D23-K60 WeakPolarHBondContact O-CA 3.28Å; D23-L61 HydrophobicContact CB-CD1 4.2Å; D23-L61 WeakPolarHBondContact O-CG 3.28Å; D23-L61 PolarHBondContact O-N 3.49Å
24T91.8Very high87.6Confident30 Ų3051.3 Ų51.318%0.18429%0.294CS..BIsolated β-bridgetrans-98.9169.6-174.866.70000113L26 D27 L28 D57 V59T24-L26 PolarHBondContact O-N 3.43Å; T24-L26 PolarHBondContact OG1-N 3.23Å; T24-D27 WeakPolarHBondContact CB-OD2 3.25Å; T24-D27 PolarHBondContact N-OD2 2.68Å; T24-D27 PolarHBondContact O-N 3.4Å; T24-D27 VanDerWaalsContact OG1-CG 3.23Å; T24-D27 PolarHBondContact OG1-N 3.01Å; T24-D27 PolarHBondContact OG1-OD2 3.4Å; T24-L28 PolarHBondContact O-N 2.88Å; T24-L28 VanDerWaalsContact O-N 3.14Å; T24-D57 WeakPolarHBondContact CB-O 3.44Å; T24-V59 CarbonylContact C-O 3.59Å; T24-V59 VanDerWaalsContact CA-O 3.3Å; T24-V59 WeakPolarHBondContact CA-O 3.41Å
25V89.6Confident87.5Confident1 Ų154 Ų541%0.00631%0.31CS..Hα-helixtrans-59.5-34.1169.3174.30000111L28 K29 L48 A55 D56 V59 L61 L64V25-L28 WeakPolarHBondContact O-CB 3.46Å; V25-L28 PolarHBondContact O-N 2.85Å; V25-K29 HydrophobicContact CG1-CD 4.48Å; V25-K29 WeakPolarHBondContact O-CG 3.28Å; V25-K29 PolarHBondContact O-N 2.58Å; V25-L48 HydrophobicContact CG1-CD2 3.98Å; V25-L48 HydrophobicContact CG2-CD2 3.86Å; V25-A55 HydrophobicContact CG2-CB 3.96Å; V25-D56 WeakPolarHBondContact CB-O 3.24Å; V25-V59 HydrophobicContact CG2-CB 4.18Å; V25-V59 WeakPolarHBondContact CG2-O 3.13Å; V25-V59 PolarHBondContact N-O 3.07Å; V25-L61 HydrophobicContact CG2-CD2 4.36Å; V25-L64 HydrophobicContact CG2-CD1 3.95Å
26L90.4Very high87.3Confident59 Ų5950.1 Ų50.131%0.30929%0.286SS..Hα-helixtrans-63.4-43.6174.2-174.558.1000112T24 L28 K29 Q30 P40 D57T24-L26 PolarHBondContact O-N 3.43Å; T24-L26 PolarHBondContact OG1-N 3.23Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 2.92Å; L26-K29 CarbonylContact O-C 3.54Å; L26-K29 WeakPolarHBondContact O-CA 3.36Å; L26-K29 WeakPolarHBondContact O-CB 3.47Å; L26-K29 PolarHBondContact O-N 3.5Å; L26-Q30 HydrophobicContact CD1-CG 4.48Å; L26-Q30 HydrophobicContact CG-CG 4.48Å; L26-Q30 WeakPolarHBondContact O-CG 3.26Å; L26-Q30 PolarHBondContact O-N 3.02Å; L26-P40 HydrophobicContact CD1-CB 4.4Å; L26-D57 HydrophobicContact CB-CB 4.08Å; L26-D57 WeakPolarHBondContact CB-O 3.26Å; L26-D57 PolarHBondContact N-O 3.22Å
27D89.9Confident87.1Confident48 Ų4851.8 Ų51.826%0.25730%0.304SS..Hα-helixtrans-63.7-36.7178.9-58.4-48.1000111.6L19 D23 T24 Q30 S31L19-D27 HydrophobicContact CD2-CB 4.35Å; D23-D27 HydrophobicContact CB-CB 4.11Å; T24-D27 WeakPolarHBondContact CB-OD2 3.25Å; T24-D27 PolarHBondContact N-OD2 2.68Å; T24-D27 PolarHBondContact O-N 3.4Å; T24-D27 VanDerWaalsContact OG1-CG 3.23Å; T24-D27 PolarHBondContact OG1-N 3.01Å; T24-D27 PolarHBondContact OG1-OD2 3.4Å; D27-Q30 PolarHBondContact O-N 3.37Å; D27-S31 WeakPolarHBondContact O-CB 3.36Å; D27-S31 PolarHBondContact O-N 2.82Å; D27-S31 PolarHBondContact O-OG 3.49Å
28L89.3Confident87.1Confident0 Ų047.4 Ų47.40%028%0.278CS..Hα-helixtrans-61.4-46.2170173.961.9000111.7L5 I16 L19 T24 V25 L26 S31 L32 L45 L48 L61L5-L28 HydrophobicContact CD1-CD1 4.06Å; L5-L28 HydrophobicContact CD1-CD2 4.09Å; I16-L28 HydrophobicContact CD1-CD1 3.49Å; I16-L28 VanDerWaalsContact CD1-CD1 3.49Å; L19-L28 HydrophobicContact CD1-CB 3.96Å; L19-L28 HydrophobicContact CD1-CD1 3.75Å; L19-L28 HydrophobicContact CD1-CG 4.49Å; T24-L28 PolarHBondContact O-N 2.88Å; T24-L28 VanDerWaalsContact O-N 3.14Å; V25-L28 WeakPolarHBondContact O-CB 3.46Å; V25-L28 PolarHBondContact O-N 2.85Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 2.92Å; L28-S31 PolarHBondContact O-N 3.45Å; L28-L32 HydrophobicContact CD1-CD1 4.29Å; L28-L32 HydrophobicContact CG-CD1 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 2.84Å; L28-L45 HydrophobicContact CD2-CD1 3.91Å; L28-L45 HydrophobicContact CG-CD1 4.36Å; L28-L48 HydrophobicContact CD2-CD2 4.41Å; L28-L61 HydrophobicContact CB-CD1 4.42Å; L28-L61 HydrophobicContact CB-CD2 4.23Å; L28-L61 HydrophobicContact CD2-CD2 4.01Å
29K91.1Very high87.3Confident27 Ų2743.8 Ų43.812%0.11725%0.251CS..Hα-helixtrans-65.1-38.7177.9-73.1175168.5-178.80112.5V25 L26 L32 K33 P40 Q43 L45 D57V25-K29 HydrophobicContact CG1-CD 4.48Å; V25-K29 WeakPolarHBondContact O-CG 3.28Å; V25-K29 PolarHBondContact O-N 2.58Å; L26-K29 CarbonylContact O-C 3.54Å; L26-K29 WeakPolarHBondContact O-CA 3.36Å; L26-K29 WeakPolarHBondContact O-CB 3.47Å; L26-K29 PolarHBondContact O-N 3.5Å; K29-L32 PolarHBondContact O-N 3.33Å; K29-K33 PolarHBondContact O-N 3.49Å; K29-P40 HydrophobicContact CB-CB 3.87Å; K29-P40 HydrophobicContact CB-CG 4.42Å; K29-P40 HydrophobicContact CD-CB 4.4Å; K29-Q43 HydrophobicContact CG-CB 4.38Å; K29-Q43 PolarHBondContact O-NE2 2.87Å; K29-Q43 PolarHBondContact O-OE1 2.84Å; K29-L45 HydrophobicContact CG-CD1 4.1Å; K29-D57 WeakPolarHBondContact CE-OD1 3.19Å; K29-D57 IonicContact NZ-OD1 3.88Å; K29-D57 PolarHBondContact NZ-OD1 3.02Å; K29-D57 IonicContact NZ-OD2 2.68Å
30Q90.3Very high87.5Confident105 Ų10544 Ų4449%0.49125%0.253SS..Hα-helixtrans-65.5-42.7175.4-72.1-177.76.600111.7L26 D27 L32 K33 G34 P40L26-Q30 HydrophobicContact CD1-CG 4.48Å; L26-Q30 HydrophobicContact CG-CG 4.48Å; L26-Q30 WeakPolarHBondContact O-CG 3.26Å; L26-Q30 PolarHBondContact O-N 3.02Å; D27-Q30 PolarHBondContact O-N 3.37Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 2.88Å; Q30-K33 WeakPolarHBondContact O-CB 2.99Å; Q30-K33 PolarHBondContact O-N 3Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; Q30-G34 PolarHBondContact O-N 2.9Å; Q30-P40 HydrophobicContact CG-CG 4.3Å
31S88.8Confident87.4Confident36 Ų3648.8 Ų48.825%0.25227%0.271SS..Hα-helixtrans-59.7-41.9173.6-61.10000111.4D27 L28 K33 G34 L35D27-S31 WeakPolarHBondContact O-CB 3.36Å; D27-S31 PolarHBondContact O-N 2.82Å; D27-S31 PolarHBondContact O-OG 3.49Å; L28-S31 PolarHBondContact O-N 3.45Å; S31-K33 PolarHBondContact O-N 3.4Å; S31-G34 PolarHBondContact O-N 3.45Å; S31-L35 PolarHBondContact O-N 3.49Å
32L89.1Confident87.3Confident0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-67.4-32.7176.3-80.7170.8000113.6I7 I16 L28 K29 Q30 G34 L35 T36 L45 M74I7-L32 HydrophobicContact CB-CD2 3.9Å; I7-L32 HydrophobicContact CG1-CD1 4.16Å; I7-L32 HydrophobicContact CG1-CD2 3.88Å; I7-L32 HydrophobicContact CG1-CG 4.42Å; I7-L32 HydrophobicContact CG2-CD1 4.07Å; I7-L32 HydrophobicContact CG2-CD2 3.76Å; I16-L32 HydrophobicContact CD1-CD2 3.79Å; I16-L32 HydrophobicContact CD1-CG 3.81Å; L28-L32 HydrophobicContact CD1-CD1 4.29Å; L28-L32 HydrophobicContact CG-CD1 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.38Å; L28-L32 PolarHBondContact O-N 2.84Å; K29-L32 PolarHBondContact O-N 3.33Å; Q30-L32 VanDerWaalsContact C-N 3.29Å; Q30-L32 PolarHBondContact O-N 2.88Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 2.81Å; L32-L35 PolarHBondContact O-N 3.49Å; L32-T36 HydrophobicContact CD2-CG2 4.23Å; L32-T36 WeakPolarHBondContact O-CB 3.07Å; L32-T36 PolarHBondContact O-N 3.36Å; L32-T36 PolarHBondContact O-OG1 3.1Å; L32-L45 HydrophobicContact CD1-CD2 3.76Å; L32-M74 HydrophobicContact CD2-CE 4.46Å
33K87.9Confident87.4Confident98 Ų9847.3 Ų47.343%0.42626%0.257SS..Hα-helixtrans-57.4-45.9172.2-177.9-171.4174.4165.80110.2K29 Q30 S31 L35 G37 V38 L39 P40K29-K33 PolarHBondContact O-N 3.49Å; Q30-K33 WeakPolarHBondContact O-CB 2.99Å; Q30-K33 PolarHBondContact O-N 3Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; S31-K33 PolarHBondContact O-N 3.4Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 2.85Å; K33-G37 VanDerWaalsContact O-CA 3.32Å; K33-G37 WeakPolarHBondContact O-CA 3.47Å; K33-G37 PolarHBondContact O-N 2.84Å; K33-V38 WeakPolarHBondContact CA-O 3.4Å; K33-V38 WeakPolarHBondContact CB-O 3.49Å; K33-L39 HydrophobicContact CD-CD2 4.04Å; K33-L39 VanDerWaalsContact NZ-CD2 3.28Å; K33-P40 HydrophobicContact CB-CG 4.47Å
34G83Confident87.4Confident73 Ų7352.4 Ų52.475%0.75328%0.278SS*.Hα-helixtrans-61.8-34.4178.600000113.7Q30 S31 L32Q30-G34 PolarHBondContact O-N 2.9Å; S31-G34 PolarHBondContact O-N 3.45Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 2.81Å
35L86.1Confident87.2Confident89 Ų8952 Ų5247%0.46627%0.274SS..Hα-helixtrans-87.4-30.6-178.3-64.8174.8000114.1Y14 I16 S31 L32 K33Y14-L35 HydrophobicContact CD1-CB 4.05Å; Y14-L35 HydrophobicContact CE1-CB 4.48Å; I16-L35 HydrophobicContact CG1-CD1 4.12Å; S31-L35 PolarHBondContact O-N 3.49Å; L32-L35 PolarHBondContact O-N 3.49Å; K33-L35 VanDerWaalsContact C-N 3.29Å; K33-L35 PolarHBondContact O-N 2.85Å
36T84.8Confident86.8Confident2 Ų256.4 Ų56.41%0.01230%0.297CS..Hα-helixtrans-116.2-16.8-169.168.30000114W9 Y14 L32 V38 M74 R78W9-T36 HydrophobicContact CD2-CG2 4.29Å; W9-T36 HydrophobicContact CE3-CG2 3.76Å; W9-T36 HydrophobicContact CZ3-CG2 4.31Å; Y14-T36 HydrophobicContact CD1-CG2 4.44Å; Y14-T36 HydrophobicContact CD2-CG2 4.15Å; Y14-T36 HydrophobicContact CE1-CG2 4.25Å; Y14-T36 HydrophobicContact CE2-CG2 3.94Å; Y14-T36 HydrophobicContact CG-CG2 4.4Å; L32-T36 HydrophobicContact CD2-CG2 4.23Å; L32-T36 WeakPolarHBondContact O-CB 3.07Å; L32-T36 PolarHBondContact O-N 3.36Å; L32-T36 PolarHBondContact O-OG1 3.1Å; T36-V38 PolarHBondContact O-N 3.42Å; T36-V38 PolarHBondContact OG1-N 3.39Å; T36-M74 HydrophobicContact CG2-CE 3.74Å; T36-R78 WeakPolarHBondContact O-CG 3.35Å; T36-R78 PolarHBondContact O-NE 3.19Å
37G81.7Confident86.1Confident39 Ų3956.6 Ų56.640%0.40231%0.313SS..  trans73.43.1-173.700000114.6K33K33-G37 VanDerWaalsContact O-CA 3.32Å; K33-G37 WeakPolarHBondContact O-CA 3.47Å; K33-G37 PolarHBondContact O-N 2.84Å
38V83.6Confident85.7Confident0 Ų054.6 Ų54.60%030%0.302CS..  trans-87.8129.6179.5-177.20000109.9W9 K33 T36 R42 Q43 M74 R78W9-V38 HydrophobicContact CD2-CG2 4.45Å; W9-V38 HydrophobicContact CH2-CG2 3.95Å; W9-V38 HydrophobicContact CZ2-CG2 3.33Å; K33-V38 WeakPolarHBondContact CA-O 3.4Å; K33-V38 WeakPolarHBondContact CB-O 3.49Å; T36-V38 PolarHBondContact O-N 3.42Å; T36-V38 PolarHBondContact OG1-N 3.39Å; V38-R42 HydrophobicContact CG1-CB 4.14Å; V38-Q43 HydrophobicContact CB-CG 4.12Å; V38-Q43 HydrophobicContact CG1-CG 3.67Å; V38-Q43 PolarHBondContact O-NE2 2.8Å; V38-M74 HydrophobicContact CB-CE 4.46Å; V38-M74 HydrophobicContact CG2-CE 4.44Å; V38-R78 HydrophobicContact CG2-CG 4.15Å
39L85.3Confident85.3Confident20 Ų2060.8 Ų60.811%0.10533%0.329CS..  trans-64.5143.2178.5-72.8-177.3000113.4K33 E41 R42 Q43 E79K33-L39 HydrophobicContact CD-CD2 4.04Å; K33-L39 VanDerWaalsContact NZ-CD2 3.28Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.9Å; L39-R42 HydrophobicContact CB-CG 4.32Å; L39-R42 WeakPolarHBondContact O-CA 3.27Å; L39-R42 PolarHBondContact O-N 3.41Å; L39-Q43 WeakPolarHBondContact O-CG 3.22Å; L39-Q43 PolarHBondContact O-N 2.78Å; L39-E79 HydrophobicContact CD1-CG 3.86Å; L39-E79 WeakPolarHBondContact CD1-OE1 3.41Å; L39-E79 HydrophobicContact CG-CG 3.95Å
40P87.6Confident84.7Confident17 Ų1762.9 Ų62.911%0.1134%0.34CS..G310 helixtrans-49.6-43.5179.1-31.937.2000114.9L26 K29 Q30 K33 R42 Q43L26-P40 HydrophobicContact CD1-CB 4.4Å; K29-P40 HydrophobicContact CB-CB 3.87Å; K29-P40 HydrophobicContact CB-CG 4.42Å; K29-P40 HydrophobicContact CD-CB 4.4Å; Q30-P40 HydrophobicContact CG-CG 4.3Å; K33-P40 HydrophobicContact CB-CG 4.47Å; P40-R42 PolarHBondContact O-N 3.13Å; P40-Q43 PolarHBondContact O-N 2.73Å
41E85.6Confident84Confident136 Ų13667.9 Ų67.964%0.63636%0.361SS*.G310 helixtrans-67.5-18.1178.262.7-99.9-150.700114L39L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.9Å
42R83.1Confident83.2Confident161 Ų16169 Ų6961%0.60838%0.379SS*.G310 helixtrans-98.3-7.9179.1-58.8-54.4-174.6174.20.4113.1V38 L39 P40 K44 G76V38-R42 HydrophobicContact CG1-CB 4.14Å; L39-R42 HydrophobicContact CB-CG 4.32Å; L39-R42 WeakPolarHBondContact O-CA 3.27Å; L39-R42 PolarHBondContact O-N 3.41Å; P40-R42 PolarHBondContact O-N 3.13Å; R42-K44 PolarHBondContact O-N 3.43Å; R42-G76 WeakPolarHBondContact O-CA 3.41Å
43Q88Confident82.7Confident6 Ų676.5 Ų76.53%0.02841%0.411CS..  trans-82112.5177.5-66.3172.429.300110.7K29 V38 L39 P40 M74K29-Q43 HydrophobicContact CG-CB 4.38Å; K29-Q43 PolarHBondContact O-NE2 2.87Å; K29-Q43 PolarHBondContact O-OE1 2.84Å; V38-Q43 HydrophobicContact CB-CG 4.12Å; V38-Q43 HydrophobicContact CG1-CG 3.67Å; V38-Q43 PolarHBondContact O-NE2 2.8Å; L39-Q43 WeakPolarHBondContact O-CG 3.22Å; L39-Q43 PolarHBondContact O-N 2.78Å; P40-Q43 PolarHBondContact O-N 2.73Å; Q43-M74 HydrophobicContact CB-CG 4.29Å; Q43-M74 HydrophobicContact CB-SD 4.42Å; Q43-M74 HydrophobicContact CG-CE 4.31Å; Q43-M74 HydrophobicContact CG-CG 4.46Å; Q43-M74 HydrophobicContact CG-SD 4.09Å
44K88.3Confident82.4Confident154 Ų15476.6 Ų76.667%0.6742%0.421SS*.EExtended strand (participates in β ladder)trans-99.6104.2169.1-68.4-177.2-178.6179.20109.4R42 L46 M74 M75R42-K44 PolarHBondContact O-N 3.43Å; K44-L46 PolarHBondContact O-N 3.34Å; K44-M74 WeakPolarHBondContact O-CA 3.2Å; K44-M75 HydrophobicContact CB-CB 4.17Å; K44-M75 PolarHBondContact N-O 3.11Å; K44-M75 PolarHBondContact O-N 2.91Å
45L87.9Confident82.6Confident22 Ų2273.7 Ų73.712%0.11539%0.391CS..EExtended strand (participates in β ladder)trans-85.3102.4177.6-60.8173.5000109.9L28 K29 L32 L48 I72 M74L28-L45 HydrophobicContact CD2-CD1 3.91Å; L28-L45 HydrophobicContact CG-CD1 4.36Å; K29-L45 HydrophobicContact CG-CD1 4.1Å; L32-L45 HydrophobicContact CD1-CD2 3.76Å; L45-L48 HydrophobicContact CB-CB 4.03Å; L45-L48 HydrophobicContact CB-CD2 4.37Å; L45-L48 HydrophobicContact CD1-CD2 3.92Å; L45-I72 HydrophobicContact CB-CG2 4.19Å; L45-I72 HydrophobicContact CD2-CG2 4.28Å; L45-M74 HydrophobicContact CD2-CB 3.81Å; L45-M74 HydrophobicContact CD2-CG 3.63Å
46L81.9Confident82.6Confident93 Ų9374.3 Ų74.349%0.48739%0.394SS..EExtended strand (participates in β ladder)trans-76.9129.9-178-56.8179.1000110.7K44 L48 M73 M75K44-L46 PolarHBondContact O-N 3.34Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-M73 HydrophobicContact CB-CB 4.15Å; L46-M73 WeakPolarHBondContact CB-O 3.17Å; L46-M73 HydrophobicContact CD1-CB 4.12Å; L46-M73 HydrophobicContact CG-CB 4.5Å; L46-M73 PolarHBondContact N-O 2.92Å; L46-M75 HydrophobicContact CD1-CG 3.85Å; L46-M75 HydrophobicContact CG-CG 4.28Å
47G74.9Confident82.8Confident63 Ų6377.2 Ų77.265%0.64941%0.41SS*.THydrogen-bonded Turntrans89.2-7.6-179.500000114.2K49G47-K49 PolarHBondContact O-N 2.91Å
48L82.1Confident83.2Confident5 Ų581.3 Ų81.33%0.02642%0.423CS..  trans-82.791.6171.7-151.282.5000109.7V25 L28 L45 L46 A55 L64 L66 I72V25-L48 HydrophobicContact CG1-CD2 3.98Å; V25-L48 HydrophobicContact CG2-CD2 3.86Å; L28-L48 HydrophobicContact CD2-CD2 4.41Å; L45-L48 HydrophobicContact CB-CB 4.03Å; L45-L48 HydrophobicContact CB-CD2 4.37Å; L45-L48 HydrophobicContact CD1-CD2 3.92Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L48-A55 HydrophobicContact CD2-CB 4.38Å; L48-A55 HydrophobicContact CG-CB 4.48Å; L48-A55 PolarHBondContact O-N 3.18Å; L48-A55 VanDerWaalsContact O-N 3.11Å; L48-L64 HydrophobicContact CD1-CD1 3.86Å; L48-L64 HydrophobicContact CD2-CD1 3.89Å; L48-L64 HydrophobicContact CG-CD1 3.74Å; L48-L66 HydrophobicContact CD1-CD1 3.93Å; L48-L66 HydrophobicContact CD1-CD2 3.97Å; L48-I72 HydrophobicContact CD1-CD1 3.76Å
49K79.9Confident83.5Confident130 Ų13082 Ų8257%0.56543%0.427SS*.EExtended strand (participates in β ladder)trans-125.5142.8-173.1-65.6-176.6-179.5-177.10112.4G47 K53G47-K49 PolarHBondContact O-N 2.91Å; K49-K53 CarbonylContact C-O 3.5Å; K49-K53 WeakPolarHBondContact CA-O 3.46Å; K49-K53 VanDerWaalsContact CB-O 3.26Å; K49-K53 WeakPolarHBondContact CB-O 3.48Å
50M78.2Confident83.7Confident71 Ų7185.8 Ų85.835%0.3544%0.442SS..EExtended strand (participates in β ladder)trans-119.9125168.2-172173.661.700108.8G52 K53 A55 V59 L64M50-G52 PolarHBondContact O-N 2.84Å; M50-G52 VanDerWaalsContact O-N 3.11Å; M50-K53 PolarHBondContact N-O 2.81Å; M50-K53 PolarHBondContact O-N 2.82Å; M50-A55 HydrophobicContact CB-CB 4.43Å; M50-V59 HydrophobicContact CE-CG1 4.35Å; M50-V59 HydrophobicContact CE-CG2 3.4Å; M50-V59 VanDerWaalsContact CE-CG2 3.4Å; M50-V59 HydrophobicContact SD-CG1 3.76Å; M50-V59 HydrophobicContact SD-CG2 3.96Å; M50-L64 HydrophobicContact CB-CD2 4.19Å
51K75.4Confident83.7Confident210 Ų21085 Ų8591%0.91344%0.437SS*.THydrogen-bonded Turntrans49.837.7-177.9-61.2179178.6175.60113.9K53K51-K53 VanDerWaalsContact C-N 3.29Å; K51-K53 PolarHBondContact O-N 3.12Å
52G72.9Confident83.6Confident61 Ų6180 Ų8063%0.62942%0.421SS*.THydrogen-bonded Turntrans83.5-9.5177.400000115.8M50M50-G52 PolarHBondContact O-N 2.84Å; M50-G52 VanDerWaalsContact O-N 3.11Å
53K78.1Confident83.7Confident157 Ų15775.2 Ų75.268%0.68342%0.417SS*.EExtended strand (participates in β ladder)trans-101.2158.6173.2-67.1-174.7-179.8-177.90110.9K49 M50 K51K49-K53 CarbonylContact C-O 3.5Å; K49-K53 WeakPolarHBondContact CA-O 3.46Å; K49-K53 VanDerWaalsContact CB-O 3.26Å; K49-K53 WeakPolarHBondContact CB-O 3.48Å; M50-K53 PolarHBondContact N-O 2.81Å; M50-K53 PolarHBondContact O-N 2.82Å; K51-K53 VanDerWaalsContact C-N 3.29Å; K51-K53 PolarHBondContact O-N 3.12Å
54P81.8Confident83.4Confident99 Ų9976 Ų7664%0.64342%0.421SS*.EExtended strand (participates in β ladder)trans-51.5140.9168.5-23.634.6000110.6
55A86.9Confident83Confident13 Ų1377.6 Ų77.611%0.10743%0.428CS..PPolyproline II helixtrans-69.9135.1176.500000110.6V25 L48 M50 L64V25-A55 HydrophobicContact CG2-CB 3.96Å; L48-A55 HydrophobicContact CD2-CB 4.38Å; L48-A55 HydrophobicContact CG-CB 4.48Å; L48-A55 PolarHBondContact O-N 3.18Å; L48-A55 VanDerWaalsContact O-N 3.11Å; M50-A55 HydrophobicContact CB-CB 4.43Å; A55-L64 HydrophobicContact CB-CD1 4.4Å; A55-L64 HydrophobicContact CB-CD2 3.69Å
56D87.6Confident82.5Confident102 Ų10278.3 Ų78.355%0.54543%0.431SS..PPolyproline II helixtrans-75.3161.2175.6-64.1-46.4000111.1V25 D58 V59V25-D56 WeakPolarHBondContact CB-O 3.24Å; D56-D58 VanDerWaalsContact C-N 3.27Å; D56-D58 VanDerWaalsContact CB-OD1 3.3Å; D56-D58 WeakPolarHBondContact CB-OD1 3.39Å; D56-D58 PolarHBondContact O-N 3.34Å; D56-V59 HydrophobicContact CB-CG2 4.1Å; D56-V59 WeakPolarHBondContact O-CB 3.18Å; D56-V59 WeakPolarHBondContact O-CG2 3.28Å; D56-V59 PolarHBondContact O-N 3.35Å; D56-V59 VanDerWaalsContact O-N 3.16Å
57D88.9Confident82.2Confident62 Ų6281.7 Ų81.733%0.33244%0.442SS..THydrogen-bonded Turntrans-65.6-27.3-170.5-81.2-5.9000113.6T24 L26 K29 V59T24-D57 WeakPolarHBondContact CB-O 3.44Å; L26-D57 HydrophobicContact CB-CB 4.08Å; L26-D57 WeakPolarHBondContact CB-O 3.26Å; L26-D57 PolarHBondContact N-O 3.22Å; K29-D57 WeakPolarHBondContact CE-OD1 3.19Å; K29-D57 IonicContact NZ-OD1 3.88Å; K29-D57 PolarHBondContact NZ-OD1 3.02Å; K29-D57 IonicContact NZ-OD2 2.68Å; D57-V59 VanDerWaalsContact C-N 3.34Å
58D89.6Confident81.9Confident126 Ų12684.1 Ų84.167%0.67445%0.447SS*.THydrogen-bonded Turntrans-83.7-7.2178.964.8-37.5000113.7D56 K60D56-D58 VanDerWaalsContact C-N 3.27Å; D56-D58 VanDerWaalsContact CB-OD1 3.3Å; D56-D58 WeakPolarHBondContact CB-OD1 3.39Å; D56-D58 PolarHBondContact O-N 3.34Å; D58-K60 PolarHBondContact O-N 3.42Å
59V89.1Confident81.3Confident14 Ų1488.6 Ų88.69%0.08547%0.471CS..  trans-71.8128.3-178.5179.40000110.3T24 V25 M50 D56 D57 A63 L64T24-V59 CarbonylContact C-O 3.59Å; T24-V59 VanDerWaalsContact CA-O 3.3Å; T24-V59 WeakPolarHBondContact CA-O 3.41Å; V25-V59 HydrophobicContact CG2-CB 4.18Å; V25-V59 WeakPolarHBondContact CG2-O 3.13Å; V25-V59 PolarHBondContact N-O 3.07Å; M50-V59 HydrophobicContact CE-CG1 4.35Å; M50-V59 HydrophobicContact CE-CG2 3.4Å; M50-V59 VanDerWaalsContact CE-CG2 3.4Å; M50-V59 HydrophobicContact SD-CG1 3.76Å; M50-V59 HydrophobicContact SD-CG2 3.96Å; D56-V59 HydrophobicContact CB-CG2 4.1Å; D56-V59 WeakPolarHBondContact O-CB 3.18Å; D56-V59 WeakPolarHBondContact O-CG2 3.28Å; D56-V59 PolarHBondContact O-N 3.35Å; D56-V59 VanDerWaalsContact O-N 3.16Å; D57-V59 VanDerWaalsContact C-N 3.34Å; V59-A63 HydrophobicContact CG1-CB 4.25Å; V59-L64 HydrophobicContact CG1-CD2 3.98Å; V59-L64 HydrophobicContact CG1-CG 4.23Å
60K90.5Very high81.2Confident100 Ų10084.4 Ų84.444%0.43546%0.456SS..BIsolated β-bridgetrans-66.7139.9173.2-67.7-171172.4-171.70112E22 D23 D58 G62 A63E22-K60 IonicContact OE2-NZ 3.19Å; E22-K60 PolarHBondContact OE2-NZ 3.14Å; D23-K60 CarbonylContact O-C 3.57Å; D23-K60 WeakPolarHBondContact O-CA 3.28Å; D58-K60 PolarHBondContact O-N 3.42Å; K60-G62 VanDerWaalsContact C-N 3.26Å; K60-G62 PolarHBondContact O-N 3.12Å; K60-A63 VanDerWaalsContact O-CB 3.31Å; K60-A63 WeakPolarHBondContact O-CB 3.3Å; K60-A63 PolarHBondContact O-N 3.33Å
61L86.1Confident81.4Confident1 Ų186.3 Ų86.31%0.00546%0.462CS..G310 helixtrans-60.9-34.9-179.9-66177.8000112.3L3 L19 D23 V25 L28 A63 L64L3-L61 HydrophobicContact CD2-CB 4.1Å; L3-L61 HydrophobicContact CD2-CD1 4.25Å; L19-L61 HydrophobicContact CB-CD1 4.12Å; L19-L61 HydrophobicContact CD1-CD1 4.1Å; D23-L61 HydrophobicContact CB-CD1 4.2Å; D23-L61 WeakPolarHBondContact O-CG 3.28Å; D23-L61 PolarHBondContact O-N 3.49Å; V25-L61 HydrophobicContact CG2-CD2 4.36Å; L28-L61 HydrophobicContact CB-CD1 4.42Å; L28-L61 HydrophobicContact CB-CD2 4.23Å; L28-L61 HydrophobicContact CD2-CD2 4.01Å; L61-A63 VanDerWaalsContact C-N 3.25Å; L61-A63 PolarHBondContact O-N 2.99Å; L61-L64 HydrophobicContact CD2-CD1 4.17Å; L61-L64 WeakPolarHBondContact O-CB 3.48Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-L64 VanDerWaalsContact O-N 3.17Å
62G84.3Confident82Confident29 Ų2976.6 Ų76.630%0.29942%0.42SS..G310 helixtrans-61.7-30.8174.800000113.7E21 K60 L64 K65E21-G62 PolarHBondContact O-N 3.44Å; K60-G62 VanDerWaalsContact C-N 3.26Å; K60-G62 PolarHBondContact O-N 3.12Å; G62-L64 PolarHBondContact O-N 2.9Å; G62-K65 PolarHBondContact O-N 2.88Å
63A84.9Confident82.7Confident62 Ų6278.2 Ų78.251%0.51241%0.412SS..G310 helixtrans-69.9-18.7179.200000112.9V59 K60 L61 K65V59-A63 HydrophobicContact CG1-CB 4.25Å; K60-A63 VanDerWaalsContact O-CB 3.31Å; K60-A63 WeakPolarHBondContact O-CB 3.3Å; K60-A63 PolarHBondContact O-N 3.33Å; L61-A63 VanDerWaalsContact C-N 3.25Å; L61-A63 PolarHBondContact O-N 2.99Å; A63-K65 VanDerWaalsContact C-N 3.33Å
64L82.1Confident83.3Confident21 Ų2170.9 Ų70.911%0.1138%0.381CS..G310 helixtrans-83.3-7.7-179.1-59.9172.8000113.3V25 L48 M50 A55 V59 L61 G62 L66V25-L64 HydrophobicContact CG2-CD1 3.95Å; L48-L64 HydrophobicContact CD1-CD1 3.86Å; L48-L64 HydrophobicContact CD2-CD1 3.89Å; L48-L64 HydrophobicContact CG-CD1 3.74Å; M50-L64 HydrophobicContact CB-CD2 4.19Å; A55-L64 HydrophobicContact CB-CD1 4.4Å; A55-L64 HydrophobicContact CB-CD2 3.69Å; V59-L64 HydrophobicContact CG1-CD2 3.98Å; V59-L64 HydrophobicContact CG1-CG 4.23Å; L61-L64 HydrophobicContact CD2-CD1 4.17Å; L61-L64 WeakPolarHBondContact O-CB 3.48Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-L64 VanDerWaalsContact O-N 3.17Å; G62-L64 PolarHBondContact O-N 2.9Å; L64-L66 HydrophobicContact CB-CD1 4.26Å; L64-L66 HydrophobicContact CB-CD2 4.13Å; L64-L66 HydrophobicContact CB-CG 3.84Å; L64-L66 HydrophobicContact CD1-CD1 4.41Å; L64-L66 PolarHBondContact O-N 3.39Å
65K79.4Confident83.3Confident188 Ų18871.3 Ų71.382%0.81738%0.376SS*.THydrogen-bonded Turntrans47.843.5178.7-60.3-174.8178.3-176.20112.9G62 A63G62-K65 PolarHBondContact O-N 2.88Å; A63-K65 VanDerWaalsContact C-N 3.33Å
66L77.1Confident83Confident37 Ų3771.7 Ų71.719%0.19438%0.381CS..PPolyproline II helixtrans-67.4135.7-178.7-59.6171.9000109.8L3 L5 L48 L64L3-L66 HydrophobicContact CD2-CD1 4.39Å; L5-L66 HydrophobicContact CD1-CD1 4.31Å; L5-L66 HydrophobicContact CD2-CB 4.36Å; L5-L66 HydrophobicContact CD2-CD1 3.78Å; L48-L66 HydrophobicContact CD1-CD1 3.93Å; L48-L66 HydrophobicContact CD1-CD2 3.97Å; L64-L66 HydrophobicContact CB-CD1 4.26Å; L64-L66 HydrophobicContact CB-CD2 4.13Å; L64-L66 HydrophobicContact CB-CG 3.84Å; L64-L66 HydrophobicContact CD1-CD1 4.41Å; L64-L66 PolarHBondContact O-N 3.39Å
67K75.4Confident82.4Confident164 Ų16470.6 Ų70.671%0.71338%0.378SS*.PPolyproline II helixtrans-71.2148.5173.3-67.2-177.2-179.9-179.20109.5N69 T70K67-N69 PolarHBondContact O-N 3.46Å; K67-T70 PolarHBondContact N-OG1 2.98Å; K67-T70 WeakPolarHBondContact O-CB 3.31Å; K67-T70 PolarHBondContact O-N 2.84Å; K67-T70 VanDerWaalsContact O-N 3.14Å; K67-T70 PolarHBondContact O-OG1 3.45Å
68P69.9Low81.9Confident115 Ų11572.1 Ų72.175%0.74738%0.379SS*.THydrogen-bonded Turntrans-53136.7171.7-24.733.7000111.1T70P68-T70 VanDerWaalsContact C-N 3.27Å; P68-T70 PolarHBondContact O-N 2.9Å
69N68.9Low80.4Confident99 Ų9971.1 Ų71.153%0.52937%0.37SS..THydrogen-bonded Turntrans61.426.9-178.4-56.4-29.6000115S4 I6 K67 K71S4-N69 PolarHBondContact O-N 3.38Å; S4-N69 PolarHBondContact OG-OD1 2.69Å; I6-N69 HydrophobicContact CD1-CB 4.26Å; K67-N69 PolarHBondContact O-N 3.46Å; N69-K71 PolarHBondContact O-N 2.84Å
70T77.4Confident78.6Confident41 Ų4176.9 Ų76.925%0.25240%0.396SS..  trans-60127.1171.9-63.20000109.8I6 K67 P68 I72I6-T70 PolarHBondContact N-O 3.28Å; K67-T70 PolarHBondContact N-OG1 2.98Å; K67-T70 WeakPolarHBondContact O-CB 3.31Å; K67-T70 PolarHBondContact O-N 2.84Å; K67-T70 VanDerWaalsContact O-N 3.14Å; K67-T70 PolarHBondContact O-OG1 3.45Å; P68-T70 VanDerWaalsContact C-N 3.27Å; P68-T70 PolarHBondContact O-N 2.9Å; T70-I72 HydrophobicContact CG2-CG1 4.17Å
71K83.8Confident76.6Confident112 Ų11274 Ų7449%0.48739%0.389SS..EExtended strand (participates in β ladder)trans-85.9116.3173.6-65.1-167.4173.6-155.60109.6I6 E13 N69I6-K71 HydrophobicContact CB-CG 4.14Å; I6-K71 HydrophobicContact CD1-CG 4.46Å; I6-K71 HydrophobicContact CG2-CG 4.15Å; I6-K71 CarbonylContact O-C 3.46Å; I6-K71 WeakPolarHBondContact O-CA 3.35Å; E13-K71 IonicContact OE1-NZ 3.88Å; E13-K71 PolarHBondContact OE1-NZ 3.11Å; E13-K71 IonicContact OE2-NZ 3.65Å; E13-K71 PolarHBondContact OE2-NZ 3.43Å; N69-K71 PolarHBondContact O-N 2.84Å
72I87.6Confident74.5Confident5 Ų577 Ų773%0.02640%0.404CS..EExtended strand (participates in β ladder)trans-109127.5178.2-62.2159.1000107.8L5 I6 I7 K8 L45 L48 T70L5-I72 HydrophobicContact CD1-CD1 4.49Å; L5-I72 HydrophobicContact CD2-CD1 4.28Å; I6-I72 PolarHBondContact O-N 3.48Å; I7-I72 CarbonylContact C-O 3.31Å; I7-I72 WeakPolarHBondContact CA-O 3.45Å; I7-I72 HydrophobicContact CD1-CB 3.67Å; I7-I72 HydrophobicContact CD1-CD1 3.86Å; I7-I72 HydrophobicContact CD1-CG1 4.31Å; I7-I72 HydrophobicContact CD1-CG2 4.14Å; K8-I72 PolarHBondContact N-O 3.47Å; L45-I72 HydrophobicContact CB-CG2 4.19Å; L45-I72 HydrophobicContact CD2-CG2 4.28Å; L48-I72 HydrophobicContact CD1-CD1 3.76Å; T70-I72 HydrophobicContact CG2-CG1 4.17Å
73M87.8Confident72.4Confident95 Ų9582.1 Ų82.147%0.46842%0.421SS..EExtended strand (participates in β ladder)trans-83.6127.3173.7-63.9-68.5-59.800108.6K8 L46K8-M73 HydrophobicContact CB-CE 4.11Å; K8-M73 HydrophobicContact CB-SD 3.33Å; K8-M73 WeakPolarHBondContact CB-SD 3.28Å; K8-M73 HydrophobicContact CD-SD 3.48Å; K8-M73 WeakPolarHBondContact CD-SD 3.17Å; K8-M73 HydrophobicContact CG-SD 4.02Å; L46-M73 HydrophobicContact CB-CB 4.15Å; L46-M73 WeakPolarHBondContact CB-O 3.17Å; L46-M73 HydrophobicContact CD1-CB 4.12Å; L46-M73 HydrophobicContact CG-CB 4.5Å; L46-M73 PolarHBondContact N-O 2.92Å
74M89.2Confident70.4Confident3 Ų385.2 Ų85.22%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-105.6136172.8-173.6-98.3-82.900109.1I7 K8 W9 L32 T36 V38 Q43 K44 L45I7-M74 HydrophobicContact CG2-CB 3.63Å; K8-M74 PolarHBondContact O-N 3.07Å; W9-M74 HydrophobicContact CB-CB 4.25Å; W9-M74 HydrophobicContact CB-CE 3.94Å; W9-M74 HydrophobicContact CB-SD 4.26Å; W9-M74 HydrophobicContact CD2-CE 4.05Å; W9-M74 HydrophobicContact CD2-SD 4.47Å; W9-M74 HydrophobicContact CG-CE 3.62Å; W9-M74 HydrophobicContact CG-SD 3.75Å; L32-M74 HydrophobicContact CD2-CE 4.46Å; T36-M74 HydrophobicContact CG2-CE 3.74Å; V38-M74 HydrophobicContact CB-CE 4.46Å; V38-M74 HydrophobicContact CG2-CE 4.44Å; Q43-M74 HydrophobicContact CB-CG 4.29Å; Q43-M74 HydrophobicContact CB-SD 4.42Å; Q43-M74 HydrophobicContact CG-CE 4.31Å; Q43-M74 HydrophobicContact CG-CG 4.46Å; Q43-M74 HydrophobicContact CG-SD 4.09Å; K44-M74 WeakPolarHBondContact O-CA 3.2Å; L45-M74 HydrophobicContact CD2-CB 3.81Å; L45-M74 HydrophobicContact CD2-CG 3.63Å
75M82.6Confident68.6Low109 Ų10989.3 Ų89.354%0.53745%0.454SS..EExtended strand (participates in β ladder)trans-114.1138170.2-65.4-72.1-69.900108.4K44 L46K44-M75 HydrophobicContact CB-CB 4.17Å; K44-M75 PolarHBondContact N-O 3.11Å; K44-M75 PolarHBondContact O-N 2.91Å; L46-M75 HydrophobicContact CD1-CG 3.85Å; L46-M75 HydrophobicContact CG-CG 4.28Å
76G80.1Confident66.7Low21 Ų2185.6 Ų85.622%0.21644%0.443CS..  trans165.3160.7179.500000110.8W9 R42W9-G76 PolarHBondContact NE1-O 3.43Å; R42-G76 WeakPolarHBondContact O-CA 3.41Å
77T76.6Confident65Low78 Ų7885 Ų8548%0.47945%0.446SS..  trans-122.7140.1-175.3-47.70000108.3S81 L82T77-S81 WeakPolarHBondContact CG2-OG 3.47Å; T77-L82 HydrophobicContact CG2-CG 4.34Å
78R76.5Confident63.5Low94 Ų9482 Ų8236%0.35544%0.442SS..  trans-69.4152.5179.3-65.9178.6173.8166.32.8110W9 T36 V38 E80 S81 L82W9-R78 HydrophobicContact CH2-CG 3.74Å; W9-R78 VanDerWaalsContact CH2-NE 3.33Å; W9-R78 HydrophobicContact CZ2-CG 4.13Å; T36-R78 WeakPolarHBondContact O-CG 3.35Å; T36-R78 PolarHBondContact O-NE 3.19Å; V38-R78 HydrophobicContact CG2-CG 4.15Å; R78-E80 VanDerWaalsContact C-N 3.35Å; R78-S81 WeakPolarHBondContact CA-OG 3.44Å; R78-S81 WeakPolarHBondContact CB-OG 3.25Å; R78-S81 PolarHBondContact N-OG 3.04Å; R78-S81 PolarHBondContact O-N 3.33Å; R78-S81 PolarHBondContact O-OG 2.84Å; R78-L82 PolarHBondContact O-N 2.86Å; R78-L82 VanDerWaalsContact O-N 3.16Å
79E59.6Low62.2Low106 Ų10679.5 Ų79.550%0.49543%0.427SS..SBendtrans-62.4-41.3172-73.6-164.5127.600112.2L39 S81 L82 E83L39-E79 HydrophobicContact CD1-CG 3.86Å; L39-E79 WeakPolarHBondContact CD1-OE1 3.41Å; L39-E79 HydrophobicContact CG-CG 3.95Å; E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 2.89Å; E79-L82 CarbonylContact O-C 3.6Å; E79-L82 WeakPolarHBondContact O-CA 3.39Å; E79-L82 WeakPolarHBondContact O-CB 3.37Å; E79-L82 PolarHBondContact O-N 3.02Å; E79-E83 PolarHBondContact O-N 3.08Å
80E51.7Low60.6Low135 Ų13579.6 Ų79.663%0.63143%0.432SS*.Hα-helixtrans-57.3-39.9175.5-62.1170.4-175.500111.8R78 L82 E83 D84R78-E80 VanDerWaalsContact C-N 3.35Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 3.17Å; E80-E83 PolarHBondContact O-N 3.22Å; E80-D84 PolarHBondContact O-N 3.22Å
81S48Very low58.9Low40 Ų4083.2 Ų83.228%0.2845%0.45SS..Hα-helixtrans-74.9-12.5174.557.80000114.6T77 R78 E79 V85T77-S81 WeakPolarHBondContact CG2-OG 3.47Å; R78-S81 WeakPolarHBondContact CA-OG 3.44Å; R78-S81 WeakPolarHBondContact CB-OG 3.25Å; R78-S81 PolarHBondContact N-OG 3.04Å; R78-S81 PolarHBondContact O-N 3.33Å; R78-S81 PolarHBondContact O-OG 2.84Å; E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 2.89Å; S81-V85 WeakPolarHBondContact O-CG2 3.47Å
82L42.4Very low56.7Low62 Ų6281.9 Ų81.933%0.32545%0.449SS..Hα-helixtrans-89.5-30.3170.8-88.3151.8000110.7T77 R78 E79 E80 D84 V85 L86T77-L82 HydrophobicContact CG2-CG 4.34Å; R78-L82 PolarHBondContact O-N 2.86Å; R78-L82 VanDerWaalsContact O-N 3.16Å; E79-L82 CarbonylContact O-C 3.6Å; E79-L82 WeakPolarHBondContact O-CA 3.39Å; E79-L82 WeakPolarHBondContact O-CB 3.37Å; E79-L82 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 3.17Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-V85 CarbonylContact O-C 3.56Å; L82-V85 PolarHBondContact O-N 2.98Å; L82-V85 VanDerWaalsContact O-N 3.15Å; L82-L86 HydrophobicContact CD2-CD1 4.14Å; L82-L86 WeakPolarHBondContact O-CA 3.39Å; L82-L86 WeakPolarHBondContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.88Å
83E40.4Very low54.2Low138 Ų13888 Ų8865%0.64548%0.481SS*.Hα-helixtrans-68.6-32.1167-70.8175.4165.600111.5E79 E80 V85 L86 G87E79-E83 PolarHBondContact O-N 3.08Å; E80-E83 PolarHBondContact O-N 3.22Å; E83-V85 PolarHBondContact O-N 3.29Å; E83-L86 PolarHBondContact O-N 2.92Å; E83-G87 WeakPolarHBondContact O-CA 3.38Å; E83-G87 PolarHBondContact O-N 3.43Å
84D42.2Very low51.8Low126 Ų12688.2 Ų88.267%0.67448%0.484SS*.Hα-helixtrans-67.3-19.5167.9-73.5-30.6000113.3E80 L82E80-D84 PolarHBondContact O-N 3.22Å; L82-D84 VanDerWaalsContact C-N 3.35Å
85V44.3Very low49.7Very low107 Ų10795.2 Ų95.265%0.64853%0.527SS*.Hα-helixtrans-102.9-20.8-179.31740000112.3S81 L82 E83S81-V85 WeakPolarHBondContact O-CG2 3.47Å; L82-V85 CarbonylContact O-C 3.56Å; L82-V85 PolarHBondContact O-N 2.98Å; L82-V85 VanDerWaalsContact O-N 3.15Å; E83-V85 PolarHBondContact O-N 3.29Å
86L39.6Very low47.9Very low111 Ų11192.1 Ų92.158%0.58151%0.514SS*.Hα-helixtrans-123-9.8-175.4-65.5170.7000113.7L82 E83 W189L82-L86 HydrophobicContact CD2-CD1 4.14Å; L82-L86 WeakPolarHBondContact O-CA 3.39Å; L82-L86 WeakPolarHBondContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.88Å; E83-L86 PolarHBondContact O-N 2.92Å; L86-W189 VanDerWaalsContact O-CZ2 3.27Å; L86-W189 WeakPolarHBondContact O-CZ2 3.48Å
87G40.8Very low46.1Very low25 Ų2596.5 Ų96.526%0.25853%0.533SS..SBendtrans-79.7167.5171.500000111.7E83E83-G87 WeakPolarHBondContact O-CA 3.38Å; E83-G87 PolarHBondContact O-N 3.43Å
88P43.8Very low44.8Very low99 Ų9994 Ų9464%0.64352%0.516SS*.SBendtrans-54.4147.6164.525.8-31.7000108.9
89P42.1Very low43.3Very low64 Ų6498.4 Ų98.442%0.41654%0.538SS..PPolyproline II helixtrans-50.4145-178.321.5-32.3000110.2D91 T185P89-D91 PolarHBondContact O-N 2.66Å; P89-T185 HydrophobicContact CG-CG2 3.92Å
90P36.8Very low42.9Very low100 Ų10096.5 Ų96.565%0.64953%0.532SS*.PPolyproline II helixtrans-51.2142.2-17920.3-31.6000110N92P90-N92 PolarHBondContact O-N 3.3Å
91D40.3Very low43Very low117 Ų11791.6 Ų91.663%0.62651%0.509SS*.  trans-48.1100.8174.4-89.6-47.5000109.1P89 D93 R152P89-D91 PolarHBondContact O-N 2.66Å; D91-D93 PolarHBondContact O-N 2.69Å; D91-R152 IonicContact OD1-CZ 3.38Å; D91-R152 VanDerWaalsContact OD1-CZ 3.32Å; D91-R152 IonicContact OD1-NE 3.35Å; D91-R152 IonicContact OD1-NH1 3.78Å; D91-R152 PolarHBondContact OD1-NH1 3.06Å; D91-R152 VanDerWaalsContact OD1-NH1 3.15Å; D91-R152 IonicContact OD1-NH2 3.17Å
92N39.1Very low43.3Very low85 Ų8596.1 Ų96.146%0.45553%0.526SS..  trans-70.984.6161.4-102.6-29.5000105.5P90 D94 R152 R256P90-N92 PolarHBondContact O-N 3.3Å; N92-D94 PolarHBondContact O-N 3.48Å; N92-R152 PolarHBondContact O-NH2 2.77Å; N92-R256 PolarHBondContact ND2-NH2 2.87Å
93D35.4Very low43.6Very low133 Ų133100.8 Ų100.871%0.71155%0.546SS*.  trans-70.521.1171.1-109.82.3000112.5D91 V95 R152D91-D93 PolarHBondContact O-N 2.69Å; D93-V95 PolarHBondContact O-N 2.93Å; D93-V95 VanDerWaalsContact O-N 3.17Å; D93-R152 IonicContact OD1-NH1 3.97Å
94D37.2Very low44.1Very low100 Ų10095.1 Ų95.154%0.53552%0.52SS..  trans-84.7101.1173.7-65.7-26.9000108.3N92 V96N92-D94 PolarHBondContact O-N 3.48Å; D94-V96 HydrophobicContact CB-CB 4.23Å; D94-V96 HydrophobicContact CB-CG2 3.31Å; D94-V96 WeakPolarHBondContact O-CG2 3.41Å; D94-V96 PolarHBondContact O-N 3Å
95V43.7Very low44.8Very low149 Ų14989.9 Ų89.990%0.90349%0.492SS*.  trans-54.581.1133.7-179.70000106D93 N97D93-V95 PolarHBondContact O-N 2.93Å; D93-V95 VanDerWaalsContact O-N 3.17Å; V95-N97 PolarHBondContact O-N 2.79Å
96V45.5Very low45.4Very low45 Ų4589.8 Ų89.827%0.27349%0.492SS..  trans-68.1112.6-174.6-173.60000106.8D94 D98D94-V96 HydrophobicContact CB-CB 4.23Å; D94-V96 HydrophobicContact CB-CG2 3.31Å; D94-V96 WeakPolarHBondContact O-CG2 3.41Å; D94-V96 PolarHBondContact O-N 3Å; V96-D98 WeakPolarHBondContact CG1-OD1 3.42Å; V96-D98 PolarHBondContact O-N 2.7Å
97N42.1Very low46.7Very low113 Ų11390 Ų9060%0.60449%0.49SS*.  trans-69.986.3170.2-1626.3000108.5V95 F99 R224V95-N97 PolarHBondContact O-N 2.79Å; N97-F99 VanDerWaalsContact C-N 3.26Å; N97-F99 PolarHBondContact O-N 3.23Å; N97-F99 VanDerWaalsContact OD1-CD2 3.26Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.5Å; N97-R224 PolarHBondContact O-NH2 3.21Å
98D50Low48.6Very low26 Ų2688.8 Ų88.814%0.13948%0.477CS..  trans-87.519-173.3-97.7-13.1000114.1V96 D100 I101 R224 K267V96-D98 WeakPolarHBondContact CG1-OD1 3.42Å; V96-D98 PolarHBondContact O-N 2.7Å; D98-D100 PolarHBondContact O-N 3.28Å; D98-D100 VanDerWaalsContact O-N 3.14Å; D98-I101 HydrophobicContact CB-CD1 4.25Å; D98-R224 IonicContact OD1-CZ 2.67Å; D98-R224 IonicContact OD1-NH1 3.56Å; D98-R224 PolarHBondContact OD1-NH1 3.11Å; D98-R224 IonicContact OD1-NH2 2.98Å; D98-R224 PolarHBondContact OD1-NH2 2.8Å; D98-K267 VanDerWaalsContact CB-NZ 3.35Å; D98-K267 IonicContact OD2-NZ 3.42Å; D98-K267 PolarHBondContact OD2-NZ 2.82Å
99F45.3Very low50.4Low185 Ų18586.7 Ų86.781%0.81146%0.459SS*.THydrogen-bonded Turntrans-66.7-7.6175.9-84.3-88.3000114N97N97-F99 VanDerWaalsContact C-N 3.26Å; N97-F99 PolarHBondContact O-N 3.23Å; N97-F99 VanDerWaalsContact OD1-CD2 3.26Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.5Å
100D49.8Very low52.4Low67 Ų6788.8 Ų88.836%0.35847%0.466SS..THydrogen-bonded Turntrans-102.7-0.9-170-72.6-39.3000115.9D98 E102 R223D98-D100 PolarHBondContact O-N 3.28Å; D98-D100 VanDerWaalsContact O-N 3.14Å; D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 3.48Å; D100-R223 IonicContact OD1-NH1 3.05Å; D100-R223 PolarHBondContact OD1-NH1 3.03Å; D100-R223 IonicContact OD2-NH1 2.77Å
101I54.9Low54.9Low32 Ų3286.8 Ų86.816%0.16445%0.446CS..Hα-helixtrans-68.7-26.5-170.6-62.2174.9000111.9D98 E103 E104 V105 L259D98-I101 HydrophobicContact CB-CD1 4.25Å; I101-E103 PolarHBondContact O-N 3.13Å; I101-E104 PolarHBondContact O-N 3.3Å; I101-V105 HydrophobicContact CG2-CG2 4.02Å; I101-V105 WeakPolarHBondContact O-CG2 3.43Å; I101-L259 HydrophobicContact CG2-CD1 4.15Å
102E53.1Low57.4Low135 Ų13588.4 Ų88.463%0.63145%0.45SS*.Hα-helixtrans-66.5-34.4-163.6-54.3-161.4156.100116D100 K306D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 3.48Å; E102-K306 VanDerWaalsContact CD-NZ 3.28Å; E102-K306 IonicContact OE1-NZ 2.76Å; E102-K306 PolarHBondContact OE1-NZ 3.39Å
103E49.6Very low60Low160 Ų16088.8 Ų88.875%0.74845%0.449SS*.Hα-helixtrans-88.4-25.4-178.8-73.8-17916700113.3I101 V105I101-E103 PolarHBondContact O-N 3.13Å; E103-V105 VanDerWaalsContact C-N 3.32Å; E103-V105 PolarHBondContact O-N 3.03Å
104E51.5Low62.7Low18 Ų1882.5 Ų82.58%0.08442%0.415CS..Hα-helixtrans-78.5-13.8-174.9-63.2-165.6153.200114I101 R223I101-E104 PolarHBondContact O-N 3.3Å; E104-R223 WeakPolarHBondContact OE1-CB 3.33Å; E104-R223 VanDerWaalsContact OE1-CD 3.29Å; E104-R223 WeakPolarHBondContact OE1-CD 3.23Å; E104-R223 WeakPolarHBondContact OE1-CG 3.5Å
105V56Low65.4Low17 Ų1782 Ų8210%0.10341%0.412CS..Hα-helixtrans-66.3-47.7-166.2-176.20000114.1I101 E103 E107 L259 P262I101-V105 HydrophobicContact CG2-CG2 4.02Å; I101-V105 WeakPolarHBondContact O-CG2 3.43Å; E103-V105 VanDerWaalsContact C-N 3.32Å; E103-V105 PolarHBondContact O-N 3.03Å; V105-E107 PolarHBondContact O-N 3.21Å; V105-L259 HydrophobicContact CG2-CD1 4.3Å; V105-P262 HydrophobicContact CG1-CB 3.28Å; V105-P262 HydrophobicContact CG1-CG 3.16Å
106V57.1Low67.9Low104 Ų10480 Ų8063%0.6340%0.396SS*.Hα-helixtrans-72.6-21.7-169.6-177.60000111.5N110V106-N110 PolarHBondContact O-ND2 2.91Å
107E66.6Low70.3Confident116 Ų11681.1 Ų81.154%0.54240%0.397SS..Hα-helixtrans-82.7-29.3-177.9-69.7-162.9166.100114.5V105 R111V105-E107 PolarHBondContact O-N 3.21Å; E107-R111 WeakPolarHBondContact O-CD 3.4Å; E107-R111 WeakPolarHBondContact O-CG 3.05Å; E107-R111 PolarHBondContact O-NE 3.31Å; E107-R111 IonicContact OE2-NH2 2.87Å; E107-R111 PolarHBondContact OE2-NH2 3.13Å
108V80.3Confident72.9Confident0 Ų076.8 Ų76.80%037%0.373CS..Hα-helixtrans-92.5-37.2-168.5-175.20000111.9N110 R111 N114 V219 T221 L259 M260V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 2.9Å; V108-R111 PolarHBondContact O-N 3.16Å; V108-N114 WeakPolarHBondContact CG1-ND2 3.37Å; V108-N114 PolarHBondContact O-ND2 2.88Å; V108-V219 HydrophobicContact CG1-CB 3.83Å; V108-V219 HydrophobicContact CG1-CG1 4.25Å; V108-V219 HydrophobicContact CG1-CG2 3.86Å; V108-T221 HydrophobicContact CG2-CG2 4.26Å; V108-L259 HydrophobicContact CB-CD2 4.48Å; V108-L259 HydrophobicContact CG1-CD2 4.41Å; V108-L259 HydrophobicContact CG2-CD2 4.37Å; V108-M260 HydrophobicContact CG1-SD 3.79Å; V108-M260 VanDerWaalsContact O-SD 3.41Å
109E81.2Confident75.2Confident55 Ų5579 Ų7926%0.25739%0.391SS..THydrogen-bonded Turntrans-62.9-32.9-176.963.9173.7-162.300113.5M260 P262E109-M260 WeakPolarHBondContact O-CE 3.41Å; E109-P262 WeakPolarHBondContact OE2-CD 3.46Å
110N85.4Confident77.7Confident107 Ų10777 Ų7757%0.57238%0.378SS*.THydrogen-bonded Turntrans-992.6-173.4-64.1-53.1000113.6V106 V108 E112V106-N110 PolarHBondContact O-ND2 2.91Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 2.9Å; N110-E112 PolarHBondContact O-N 3.04Å
111R89.3Confident79.9Confident58 Ų5876.8 Ų76.822%0.21937%0.372CS..  trans-71.2128.4179.5-55-169.8179.3168.40.3110.6E107 V108 E113 N114 L115 H220E107-R111 WeakPolarHBondContact O-CD 3.4Å; E107-R111 WeakPolarHBondContact O-CG 3.05Å; E107-R111 PolarHBondContact O-NE 3.31Å; E107-R111 IonicContact OE2-NH2 2.87Å; E107-R111 PolarHBondContact OE2-NH2 3.13Å; V108-R111 PolarHBondContact O-N 3.16Å; R111-E113 HydrophobicContact CB-CG 3.93Å; R111-E113 PolarHBondContact O-N 3.42Å; R111-N114 HydrophobicContact CB-CB 4.49Å; R111-N114 PolarHBondContact O-N 2.91Å; R111-L115 PolarHBondContact O-N 2.92Å; R111-H220 PolarHBondContact NH1-O 3.5Å
112E92.7Very high82Confident152 Ų15277 Ų7771%0.7138%0.375SS*.Hα-helixtrans-53.6-41.5-179.6-171.8177.7-173.200112.4N110 N114 L115 L116N110-E112 PolarHBondContact O-N 3.04Å; E112-N114 VanDerWaalsContact C-N 3.27Å; E112-N114 PolarHBondContact O-N 3.26Å; E112-L115 PolarHBondContact O-N 3.19Å; E112-L116 HydrophobicContact CG-CD1 4.33Å; E112-L116 WeakPolarHBondContact O-CG 3.35Å; E112-L116 PolarHBondContact O-N 3.27Å
113E92.4Very high84.1Confident93 Ų9379.1 Ų79.144%0.43538%0.382SS..Hα-helixtrans-57.5-37176.258.2172.6-160.800113.5R111 K117R111-E113 HydrophobicContact CB-CG 3.93Å; R111-E113 PolarHBondContact O-N 3.42Å; E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.34Å; E113-K117 PolarHBondContact O-N 3.43Å; E113-K117 VanDerWaalsContact O-N 3.14Å
114N92.8Very high86.4Confident0 Ų076.4 Ų76.40%037%0.37CS..Hα-helixtrans-79.9-37.8-179-65.9-26.3000110.6V108 R111 E112 L116 K117 I118 V219 M260V108-N114 WeakPolarHBondContact CG1-ND2 3.37Å; V108-N114 PolarHBondContact O-ND2 2.88Å; R111-N114 HydrophobicContact CB-CB 4.49Å; R111-N114 PolarHBondContact O-N 2.91Å; E112-N114 VanDerWaalsContact C-N 3.27Å; E112-N114 PolarHBondContact O-N 3.26Å; N114-L116 VanDerWaalsContact C-N 3.29Å; N114-L116 PolarHBondContact O-N 3.49Å; N114-K117 WeakPolarHBondContact O-CB 3.48Å; N114-K117 PolarHBondContact O-N 2.91Å; N114-K117 PolarHBondContact OD1-NZ 3.27Å; N114-K117 VanDerWaalsContact OD1-NZ 3.08Å; N114-I118 WeakPolarHBondContact O-CG1 3.43Å; N114-I118 PolarHBondContact O-N 2.91Å; N114-V219 HydrophobicContact CB-CG1 4.44Å; N114-M260 HydrophobicContact CB-CE 3.58Å; N114-M260 HydrophobicContact CB-SD 4.05Å
115L95.2Very high88.6Confident89 Ų8977 Ų7747%0.46637%0.371SS..Hα-helixtrans-61-38.6171.9-61.9177000111.6R111 E112 I118 S119R111-L115 PolarHBondContact O-N 2.92Å; E112-L115 PolarHBondContact O-N 3.19Å; L115-I118 PolarHBondContact O-N 3.43Å; L115-S119 WeakPolarHBondContact O-CB 3.3Å; L115-S119 PolarHBondContact O-N 2.81Å
116L94.8Very high90.5Very high107 Ų10785.2 Ų85.256%0.5641%0.406SS*.Hα-helixtrans-65.6-40.8173.5-72173000112.3E112 N114 I118 S119 R120E112-L116 HydrophobicContact CG-CD1 4.33Å; E112-L116 WeakPolarHBondContact O-CG 3.35Å; E112-L116 PolarHBondContact O-N 3.27Å; N114-L116 VanDerWaalsContact C-N 3.29Å; N114-L116 PolarHBondContact O-N 3.49Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.4Å; L116-S119 PolarHBondContact O-N 3.36Å; L116-R120 WeakPolarHBondContact O-CB 3.34Å; L116-R120 PolarHBondContact O-N 3.32Å
117K96.1Very high92.5Very high69 Ų6981.7 Ų81.730%0.338%0.384SS..Hα-helixtrans-59.9-43.8173.1-69.5167.3-165.9163.60111.2E113 N114 R120 R121 I217 T218E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.34Å; E113-K117 PolarHBondContact O-N 3.43Å; E113-K117 VanDerWaalsContact O-N 3.14Å; N114-K117 WeakPolarHBondContact O-CB 3.48Å; N114-K117 PolarHBondContact O-N 2.91Å; N114-K117 PolarHBondContact OD1-NZ 3.27Å; N114-K117 VanDerWaalsContact OD1-NZ 3.08Å; K117-R120 PolarHBondContact O-N 3.48Å; K117-R121 WeakPolarHBondContact O-CG 3.27Å; K117-R121 PolarHBondContact O-N 2.97Å; K117-I217 HydrophobicContact CB-CB 4.19Å; K117-I217 HydrophobicContact CB-CD1 4.23Å; K117-I217 HydrophobicContact CB-CG2 3.91Å; K117-I217 HydrophobicContact CD-CB 4.45Å; K117-T218 WeakPolarHBondContact CD-O 3.47Å; K117-T218 WeakPolarHBondContact CE-O 3.46Å; K117-T218 PolarHBondContact NZ-O 2.67Å
118I97.3Very high94Very high22 Ų2282.9 Ų82.911%0.11339%0.39CS..Hα-helixtrans-61.6-51.4175.5-66.5173000110.4N114 L115 L116 R120 R121 V122 I217 P231 V234 M260N114-I118 WeakPolarHBondContact O-CG1 3.43Å; N114-I118 PolarHBondContact O-N 2.91Å; L115-I118 PolarHBondContact O-N 3.43Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 3.4Å; I118-R120 PolarHBondContact O-N 3.05Å; I118-R121 CarbonylContact O-C 3.57Å; I118-R121 WeakPolarHBondContact O-CA 3.5Å; I118-R121 WeakPolarHBondContact O-CB 3.15Å; I118-R121 PolarHBondContact O-N 3.06Å; I118-V122 HydrophobicContact CG2-CG2 4.2Å; I118-V122 WeakPolarHBondContact O-CG2 3.48Å; I118-V122 PolarHBondContact O-N 2.99Å; I118-I217 HydrophobicContact CD1-CD1 4.37Å; I118-I217 HydrophobicContact CG1-CD1 3.82Å; I118-P231 HydrophobicContact CD1-CB 3.75Å; I118-P231 HydrophobicContact CG1-CB 3.78Å; I118-P231 HydrophobicContact CG1-CG 4.16Å; I118-V234 HydrophobicContact CG2-CG2 4.1Å; I118-M260 HydrophobicContact CD1-CE 3.79Å
119S97.6Very high94.9Very high74 Ų7487 Ų8752%0.51741%0.411SS..Hα-helixtrans-55.7-41.3178.8-179.60000112L115 L116 V122 K123L115-S119 WeakPolarHBondContact O-CB 3.3Å; L115-S119 PolarHBondContact O-N 2.81Å; L116-S119 PolarHBondContact O-N 3.36Å; S119-V122 WeakPolarHBondContact O-CB 3.41Å; S119-V122 PolarHBondContact O-N 3.04Å; S119-K123 PolarHBondContact O-N 2.9Å
120R97.3Very high95.7Very high141 Ų14188.2 Ų88.253%0.53242%0.419SS..Hα-helixtrans-61.9-45.1173.9-174.8178.6165.9-168.8-7.6112.1L116 K117 I118 K123 E124L116-R120 WeakPolarHBondContact O-CB 3.34Å; L116-R120 PolarHBondContact O-N 3.32Å; K117-R120 PolarHBondContact O-N 3.48Å; I118-R120 PolarHBondContact O-N 3.05Å; R120-K123 PolarHBondContact O-N 3.1Å; R120-E124 VanDerWaalsContact CG-CD 3.41Å; R120-E124 HydrophobicContact CG-CG 4.2Å; R120-E124 VanDerWaalsContact CG-OE1 3.31Å; R120-E124 WeakPolarHBondContact CG-OE1 3.4Å; R120-E124 WeakPolarHBondContact CG-OE2 2.95Å; R120-E124 IonicContact CZ-OE1 3.48Å; R120-E124 IonicContact CZ-OE2 3.61Å; R120-E124 VanDerWaalsContact NE-CD 3.29Å; R120-E124 IonicContact NE-OE1 3.01Å; R120-E124 PolarHBondContact NE-OE1 3.17Å; R120-E124 VanDerWaalsContact NE-OE1 3.09Å; R120-E124 IonicContact NE-OE2 2.67Å; R120-E124 PolarHBondContact NE-OE2 3.27Å; R120-E124 IonicContact NH2-OE2 3.65Å; R120-E124 PolarHBondContact NH2-OE2 3.11Å; R120-E124 WeakPolarHBondContact O-CB 3.15Å; R120-E124 WeakPolarHBondContact O-CG 3.36Å; R120-E124 PolarHBondContact O-N 3.27Å
121R97.4Very high96.3Very high63 Ų6385.5 Ų85.524%0.23840%0.404CS..Hα-helixtrans-63.4-41.4175.4-69.5-67.5-177.7-93.8-1.3112.2K117 I118 K123 E124 Y125 A214 M216 I217 V234K117-R121 WeakPolarHBondContact O-CG 3.27Å; K117-R121 PolarHBondContact O-N 2.97Å; I118-R121 CarbonylContact O-C 3.57Å; I118-R121 WeakPolarHBondContact O-CA 3.5Å; I118-R121 WeakPolarHBondContact O-CB 3.15Å; I118-R121 PolarHBondContact O-N 3.06Å; R121-K123 PolarHBondContact O-N 3.35Å; R121-E124 PolarHBondContact O-N 2.85Å; R121-Y125 WeakPolarHBondContact O-CB 3.34Å; R121-Y125 PolarHBondContact O-N 2.79Å; R121-A214 WeakPolarHBondContact CD-O 3.48Å; R121-A214 PolarHBondContact NE-O 2.77Å; R121-M216 PolarHBondContact NE-O 2.98Å; R121-M216 PolarHBondContact NH2-O 2.8Å; R121-I217 HydrophobicContact CG-CG2 3.77Å; R121-V234 HydrophobicContact CB-CG1 4.26Å; R121-V234 HydrophobicContact CB-CG2 3.61Å; R121-V234 HydrophobicContact CG-CG2 4.35Å
122V98.3Very high96.7Very high36 Ų3687.3 Ų87.322%0.21842%0.423CS..Hα-helixtrans-56.8-39173.9172.20000110.9I118 S119 K238I118-V122 HydrophobicContact CG2-CG2 4.2Å; I118-V122 WeakPolarHBondContact O-CG2 3.48Å; I118-V122 PolarHBondContact O-N 2.99Å; S119-V122 WeakPolarHBondContact O-CB 3.41Å; S119-V122 PolarHBondContact O-N 3.04Å; V122-K238 HydrophobicContact CG1-CG 4.07Å; V122-K238 WeakPolarHBondContact O-CE 3.45Å; V122-K238 PolarHBondContact O-NZ 3.22Å
123K97.9Very high97Very high181 Ų18180.9 Ų80.979%0.78740%0.395SS*.Hα-helixtrans-78.6-44.1178.9-173179.1179.2-178.70114S119 R120 R121S119-K123 PolarHBondContact O-N 2.9Å; R120-K123 PolarHBondContact O-N 3.1Å; R121-K123 PolarHBondContact O-N 3.35Å
124E96.6Very high97.3Very high102 Ų10279 Ų7948%0.47738%0.384SS..Hα-helixtrans-95.8-36.5-165.9-67.3176.9-174.600113.8R120 R121 K126R120-E124 VanDerWaalsContact CG-CD 3.41Å; R120-E124 HydrophobicContact CG-CG 4.2Å; R120-E124 VanDerWaalsContact CG-OE1 3.31Å; R120-E124 WeakPolarHBondContact CG-OE1 3.4Å; R120-E124 WeakPolarHBondContact CG-OE2 2.95Å; R120-E124 IonicContact CZ-OE1 3.48Å; R120-E124 IonicContact CZ-OE2 3.61Å; R120-E124 VanDerWaalsContact NE-CD 3.29Å; R120-E124 IonicContact NE-OE1 3.01Å; R120-E124 PolarHBondContact NE-OE1 3.17Å; R120-E124 VanDerWaalsContact NE-OE1 3.09Å; R120-E124 IonicContact NE-OE2 2.67Å; R120-E124 PolarHBondContact NE-OE2 3.27Å; R120-E124 IonicContact NH2-OE2 3.65Å; R120-E124 PolarHBondContact NH2-OE2 3.11Å; R120-E124 WeakPolarHBondContact O-CB 3.15Å; R120-E124 WeakPolarHBondContact O-CG 3.36Å; R120-E124 PolarHBondContact O-N 3.27Å; R121-E124 PolarHBondContact O-N 2.85Å; E124-K126 PolarHBondContact O-N 2.91Å
125Y97.4Very high97.5Very high31 Ų3187.7 Ų87.712%0.12242%0.424CS..PPolyproline II helixtrans-71.4128.3-176.7-171.5-93.3000109.6R121 V127 L211 D212 A214 A215 K238R121-Y125 WeakPolarHBondContact O-CB 3.34Å; R121-Y125 PolarHBondContact O-N 2.79Å; Y125-V127 HydrophobicContact CD1-CG2 3.8Å; Y125-V127 HydrophobicContact CE1-CG2 3.96Å; Y125-L211 HydrophobicContact CD1-CD2 4.23Å; Y125-L211 HydrophobicContact CE1-CD2 3.48Å; Y125-L211 VanDerWaalsContact CE1-CD2 3.48Å; Y125-D212 VanDerWaalsContact CE2-OD1 3.3Å; Y125-D212 WeakPolarHBondContact CE2-OD1 3.35Å; Y125-D212 PolarHBondContact OH-N 2.87Å; Y125-D212 PolarHBondContact OH-OD1 3.12Å; Y125-A214 HydrophobicContact CD2-CB 4.32Å; Y125-A214 HydrophobicContact CE2-CB 3.87Å; Y125-A215 HydrophobicContact CD1-CB 4.29Å; Y125-A215 HydrophobicContact CD2-CB 4.08Å; Y125-A215 HydrophobicContact CE1-CB 4.04Å; Y125-A215 HydrophobicContact CE2-CB 3.8Å; Y125-A215 HydrophobicContact CG-CB 4.3Å; Y125-K238 WeakPolarHBondContact O-CE 3.31Å; Y125-K238 PolarHBondContact O-NZ 2.82Å
126K97.7Very high97.6Very high189 Ų18987 Ų8782%0.82244%0.438SS*.PPolyproline II helixtrans-98.4118.1178.7-66.1-176.7-179-179.30108.9E124E124-K126 PolarHBondContact O-N 2.91Å
127V98.3Very high97.7Very high30 Ų3085 Ų8518%0.18243%0.425CS..PPolyproline II helixtrans-90.4124.8176.4-178.30000108.2Y125 F209 L211 K238 F239Y125-V127 HydrophobicContact CD1-CG2 3.8Å; Y125-V127 HydrophobicContact CE1-CG2 3.96Å; V127-F209 HydrophobicContact CG1-CB 3.53Å; V127-F209 HydrophobicContact CG1-CD1 4.01Å; V127-F209 HydrophobicContact CG1-CD2 3.57Å; V127-F209 HydrophobicContact CG1-CE2 4.26Å; V127-F209 HydrophobicContact CG1-CG 3.43Å; V127-F209 VanDerWaalsContact CG1-CG 3.43Å; V127-L211 HydrophobicContact CG1-CD2 4.48Å; V127-L211 HydrophobicContact CG2-CD2 3.93Å; V127-K238 HydrophobicContact CG2-CD 3.6Å; V127-F239 HydrophobicContact CB-CE2 4.48Å; V127-F239 HydrophobicContact CB-CZ 4.3Å; V127-F239 HydrophobicContact CG1-CE2 4.25Å; V127-F239 HydrophobicContact CG1-CZ 4.04Å; V127-F239 HydrophobicContact CG2-CE2 4.35Å
128E98.3Very high97.9Very high142 Ų14283.1 Ų83.166%0.66442%0.417SS*.  trans-84.3113.6168.9-175172173.200109.1L130 F209E128-L130 PolarHBondContact O-N 2.85Å; E128-F209 WeakPolarHBondContact O-CB 3.38Å
129I98.6Very high97.9Very high87 Ų8782 Ų8245%0.44641%0.412SS..BIsolated β-bridgetrans-83.7109.7179.4-57.9173.1000107.9N131 F239I129-N131 VanDerWaalsContact CG2-O 3.26Å; I129-N131 WeakPolarHBondContact CG2-O 3.4Å; I129-F239 HydrophobicContact CD1-CE1 3.88Å; I129-F239 HydrophobicContact CD1-CZ 4.27Å; I129-F239 HydrophobicContact CG1-CE1 4.31Å; I129-F239 HydrophobicContact CG1-CZ 4.27Å
130L98.4Very high98Very high80 Ų8078.5 Ų78.542%0.41939%0.387SS..SBendtrans-77.9-41.7176.2-58.8178.1000111E128 I207 T208 M210E128-L130 PolarHBondContact O-N 2.85Å; L130-I207 HydrophobicContact CD1-CG2 4.46Å; L130-T208 PolarHBondContact N-O 3.34Å; L130-M210 HydrophobicContact CD1-CE 4.08Å; L130-M210 HydrophobicContact CD1-CG 4.22Å; L130-M210 HydrophobicContact CD1-SD 4.42Å
131N98.4Very high98.1Very high50 Ų5071.8 Ų71.827%0.26736%0.362SS..SBendtrans-139.9138.7176.2-62.1-91.7000108.4I129 K206 I207 T208I129-N131 VanDerWaalsContact CG2-O 3.26Å; I129-N131 WeakPolarHBondContact CG2-O 3.4Å; N131-K206 HydrophobicContact CB-CB 4.09Å; N131-I207 PolarHBondContact ND2-O 3.43Å; N131-T208 PolarHBondContact N-O 3.11Å; N131-T208 VanDerWaalsContact N-O 3.08Å; N131-T208 WeakPolarHBondContact O-CA 3.05Å; N131-T208 WeakPolarHBondContact O-CG2 3.44Å; N131-T208 VanDerWaalsContact O-O 3.13Å
132P98.2Very high98.2Very high95 Ų9568.9 Ų68.962%0.61735%0.351SS*.  trans-66.7147.8-176.127.8-34.7000111.7
133P98.6Very high98.2Very high17 Ų1767.5 Ų67.511%0.1134%0.342CS..  trans-49.5141.8164.4-29.738.1000111.9D178 T208 F239 Y242 Y243P133-D178 WeakPolarHBondContact CA-OD2 3.49Å; P133-T208 HydrophobicContact CG-CG2 4.11Å; P133-F239 HydrophobicContact CG-CD1 4.18Å; P133-F239 HydrophobicContact CG-CE1 4.5Å; P133-Y242 HydrophobicContact CB-CD1 3.86Å; P133-Y242 HydrophobicContact CB-CD2 3.4Å; P133-Y242 VanDerWaalsContact CB-CD2 3.4Å; P133-Y242 HydrophobicContact CB-CE1 4.01Å; P133-Y242 HydrophobicContact CB-CE2 3.55Å; P133-Y242 HydrophobicContact CB-CG 3.58Å; P133-Y242 HydrophobicContact CG-CD2 3.76Å; P133-Y242 HydrophobicContact CG-CE2 3.88Å; P133-Y242 HydrophobicContact CG-CG 4.37Å; P133-Y243 HydrophobicContact CB-CE2 4.43Å; P133-Y243 VanDerWaalsContact CB-OH 3.26Å; P133-Y243 WeakPolarHBondContact CB-OH 3.44Å; P133-Y243 HydrophobicContact CG-CE2 4.32Å
134R98.3Very high98.1Very high55 Ų5559 Ų5921%0.20831%0.305CS..  trans-105135.1-179.6-66.1174.5-62.3155.811.4109.9G136 K137 Y174 Y177 D178R134-G136 PolarHBondContact O-N 2.97Å; R134-K137 HydrophobicContact CB-CB 4.28Å; R134-K137 HydrophobicContact CB-CG 3.57Å; R134-K137 PolarHBondContact O-N 3.11Å; R134-Y174 VanDerWaalsContact CZ-O 3.23Å; R134-Y174 VanDerWaalsContact NH1-CZ 3.28Å; R134-Y174 PolarHBondContact NH1-O 3.43Å; R134-Y174 PolarHBondContact NH2-O 2.82Å; R134-Y177 PolarHBondContact NH2-O 3.22Å; R134-D178 IonicContact CZ-OD1 3.23Å; R134-D178 VanDerWaalsContact CZ-OD1 3.23Å; R134-D178 PolarHBondContact N-OD2 2.77Å; R134-D178 IonicContact NE-OD1 2.71Å; R134-D178 PolarHBondContact NE-OD1 3.05Å; R134-D178 IonicContact NH2-OD1 2.88Å; R134-D178 PolarHBondContact NH2-OD1 3.2Å
135E97.1Very high98Very high181 Ų18155.7 Ų55.785%0.84629%0.291SS*.THydrogen-bonded Turntrans-58.4135.7-179.9-168175-18000111.7K137E135-K137 PolarHBondContact O-N 3.1Å
136G96.4Very high98Very high74 Ų7455.7 Ų55.776%0.76329%0.291SS*.THydrogen-bonded Turntrans73.2-3178.900000115.7R134R134-G136 PolarHBondContact O-N 2.97Å
137K98.5Very high98Very high65 Ų6546.7 Ų46.728%0.28325%0.252SS..  trans-80.2146.2177.4-59-57.1178.4-172.20111.9R134 E135 E175R134-K137 HydrophobicContact CB-CB 4.28Å; R134-K137 HydrophobicContact CB-CG 3.57Å; R134-K137 PolarHBondContact O-N 3.11Å; E135-K137 PolarHBondContact O-N 3.1Å; K137-E175 WeakPolarHBondContact CE-O 3.08Å; K137-E175 PolarHBondContact NZ-O 3.35Å
138K98.8Very high98Very high30 Ų3045.3 Ų45.313%0.1324%0.243CC..EExtended strand (participates in β ladder)trans-77.6173.9172.6-52.5-64.3-177.6174.90109D176 Y177 D178 N247 L297 F300K138-D176 PolarHBondContact N-O 3Å; K138-Y177 HydrophobicContact CB-CD1 3.4Å; K138-Y177 HydrophobicContact CB-CE1 3.44Å; K138-Y177 VanDerWaalsContact CB-CE1 3.44Å; K138-Y177 HydrophobicContact CB-CG 4.09Å; K138-Y177 HydrophobicContact CG-CD1 4.5Å; K138-Y177 HydrophobicContact CG-CE1 4.2Å; K138-Y177 CarbonylContact O-C 3.42Å; K138-Y177 VanDerWaalsContact O-CA 3.27Å; K138-Y177 WeakPolarHBondContact O-CA 3.42Å; K138-D178 PolarHBondContact O-N 3.49Å; K138-N247 WeakPolarHBondContact CB-O 3.35Å; K138-N247 HydrophobicContact CD-CB 3.59Å; K138-L297 WeakPolarHBondContact CE-O 3.27Å; K138-L297 PolarHBondContact NZ-O 3.44Å; K138-F300 HydrophobicContact CB-CZ 4.25Å; K138-F300 HydrophobicContact CD-CE1 4.43Å; K138-F300 HydrophobicContact CD-CZ 4.07Å; K138-F300 HydrophobicContact CG-CZ 4.01Å
139L98.9Very high97.9Very high0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-113.7126.1177.1177.262.9000111.1V141 V180 I235 Y243 N247 T248 I249L139-V141 HydrophobicContact CD1-CG2 4.28Å; L139-V141 HydrophobicContact CD2-CG2 3.99Å; L139-V141 HydrophobicContact CG-CG2 3.93Å; L139-V180 HydrophobicContact CD1-CB 4.25Å; L139-V180 HydrophobicContact CD1-CG2 3.66Å; L139-I235 HydrophobicContact CD2-CD1 4.4Å; L139-I235 HydrophobicContact CD2-CG2 3.62Å; L139-Y243 HydrophobicContact CB-CD1 3.65Å; L139-Y243 HydrophobicContact CB-CE1 4.08Å; L139-Y243 HydrophobicContact CB-CG 3.96Å; L139-Y243 HydrophobicContact CD1-CD2 4.39Å; L139-Y243 HydrophobicContact CD1-CE1 4.42Å; L139-Y243 HydrophobicContact CD1-CE2 4.26Å; L139-Y243 HydrophobicContact CD2-CD1 4.38Å; L139-Y243 HydrophobicContact CD2-CD2 3.94Å; L139-Y243 HydrophobicContact CD2-CG 3.82Å; L139-Y243 HydrophobicContact CG-CD1 4.4Å; L139-Y243 HydrophobicContact CG-CG 4.32Å; L139-N247 PolarHBondContact N-O 2.64Å; L139-T248 HydrophobicContact CB-CG2 4.1Å; L139-T248 HydrophobicContact CD2-CG2 3.62Å; L139-T248 HydrophobicContact CG-CG2 3.88Å; L139-T248 WeakPolarHBondContact O-CA 3.41Å; L139-I249 PolarHBondContact O-N 2.81Å
140L98.9Very high97.8Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-112.1116.4169.9176.764.1000109.2L142 F169 A173 Y177 D178 I179 V180 I249 F251 L291L140-L142 HydrophobicContact CD1-CD2 3.8Å; L140-L142 HydrophobicContact CD1-CG 4.41Å; L140-L142 HydrophobicContact CD2-CD1 4.1Å; L140-L142 HydrophobicContact CD2-CD2 4.02Å; L140-L142 HydrophobicContact CD2-CG 4.17Å; L140-L142 HydrophobicContact CG-CD1 4.37Å; L140-L142 HydrophobicContact CG-CD2 3.83Å; L140-L142 HydrophobicContact CG-CG 3.93Å; L140-F169 HydrophobicContact CD2-CE1 4.29Å; L140-F169 HydrophobicContact CD2-CZ 3.93Å; L140-A173 HydrophobicContact CD2-CB 3.74Å; L140-Y177 HydrophobicContact CB-CD1 3.87Å; L140-Y177 HydrophobicContact CB-CG 4Å; L140-D178 PolarHBondContact N-O 2.95Å; L140-I179 WeakPolarHBondContact O-CA 3.37Å; L140-V180 PolarHBondContact O-N 3.01Å; L140-I249 WeakPolarHBondContact CA-O 3.09Å; L140-I249 HydrophobicContact CD1-CG2 3.83Å; L140-F251 HydrophobicContact CD1-CD1 4.48Å; L140-F251 HydrophobicContact CD1-CD2 4.26Å; L140-F251 HydrophobicContact CD1-CE1 4.47Å; L140-F251 HydrophobicContact CD1-CE2 4.23Å; L140-F251 HydrophobicContact CD1-CG 4.39Å; L140-F251 HydrophobicContact CD1-CZ 4.35Å; L140-L291 HydrophobicContact CD1-CD1 4.1Å; L140-L291 HydrophobicContact CD1-CD2 4.31Å; L140-L291 HydrophobicContact CD2-CD1 3.74Å
141V98.9Very high97.2Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-102.4127.7173.6-175.70000108.9L139 V180 W182 L232 I235 T248 I249 M250 F251L139-V141 HydrophobicContact CD1-CG2 4.28Å; L139-V141 HydrophobicContact CD2-CG2 3.99Å; L139-V141 HydrophobicContact CG-CG2 3.93Å; V141-V180 CarbonylContact C-O 3.51Å; V141-V180 WeakPolarHBondContact CA-O 3.48Å; V141-V180 HydrophobicContact CG1-CG1 4.45Å; V141-V180 HydrophobicContact CG2-CB 4.34Å; V141-W182 HydrophobicContact CG1-CB 3.87Å; V141-W182 HydrophobicContact CG1-CE3 4.16Å; V141-L232 HydrophobicContact CB-CD2 4.18Å; V141-L232 HydrophobicContact CG1-CD2 4.31Å; V141-L232 HydrophobicContact CG2-CD2 3.68Å; V141-I235 HydrophobicContact CG2-CD1 3.8Å; V141-T248 HydrophobicContact CG2-CG2 4.29Å; V141-I249 PolarHBondContact N-O 3.11Å; V141-M250 HydrophobicContact CB-CB 4.05Å; V141-M250 HydrophobicContact CB-CG 4.04Å; V141-M250 HydrophobicContact CG1-CG 4.09Å; V141-M250 HydrophobicContact CG1-SD 4.42Å; V141-M250 CarbonylContact O-C 3.56Å; V141-M250 VanDerWaalsContact O-CA 3.22Å; V141-M250 WeakPolarHBondContact O-CA 3.35Å; V141-F251 PolarHBondContact O-N 3.28Å
142L98.9Very high96.6Very high1 Ų135.6 Ų35.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-120.3126.2-177.6-61172.4000110.2L140 L148 F169 L170 I179 V180 I181 W182 F251L140-L142 HydrophobicContact CD1-CD2 3.8Å; L140-L142 HydrophobicContact CD1-CG 4.41Å; L140-L142 HydrophobicContact CD2-CD1 4.1Å; L140-L142 HydrophobicContact CD2-CD2 4.02Å; L140-L142 HydrophobicContact CD2-CG 4.17Å; L140-L142 HydrophobicContact CG-CD1 4.37Å; L140-L142 HydrophobicContact CG-CD2 3.83Å; L140-L142 HydrophobicContact CG-CG 3.93Å; L142-L148 HydrophobicContact CB-CD1 4.39Å; L142-L148 HydrophobicContact CB-CD2 4.5Å; L142-L148 HydrophobicContact CD1-CD2 4.18Å; L142-F169 HydrophobicContact CD1-CE1 3.94Å; L142-F169 HydrophobicContact CD2-CE1 4.11Å; L142-F169 HydrophobicContact CD2-CZ 4.19Å; L142-L170 HydrophobicContact CD1-CD2 3.44Å; L142-L170 VanDerWaalsContact CD1-CD2 3.44Å; L142-I179 HydrophobicContact CD1-CG2 3.94Å; L142-V180 PolarHBondContact N-O 3.5Å; L142-I181 HydrophobicContact CB-CD1 4.11Å; L142-I181 HydrophobicContact CD1-CD1 4.41Å; L142-I181 CarbonylContact O-C 3.58Å; L142-I181 WeakPolarHBondContact O-CA 3.4Å; L142-W182 PolarHBondContact O-N 2.95Å; L142-F251 HydrophobicContact CD2-CB 3.82Å; L142-F251 HydrophobicContact CD2-CD2 3.76Å; L142-F251 HydrophobicContact CD2-CG 4.05Å
143D98.6Very high95.7Very high7 Ų732.1 Ų32.14%0.03717%0.167CC..  trans-66.4169.7156.9179.158.6000111.2D145 T147 L148 W182 K230 F251 D252D143-D145 PolarHBondContact OD2-N 2.78Å; D143-T147 HydrophobicContact CB-CG2 4.31Å; D143-T147 WeakPolarHBondContact CB-OG1 3.2Å; D143-T147 WeakPolarHBondContact O-CB 3.45Å; D143-T147 VanDerWaalsContact O-CG2 3.27Å; D143-T147 WeakPolarHBondContact O-CG2 3.3Å; D143-T147 PolarHBondContact OD2-OG1 3.08Å; D143-L148 WeakPolarHBondContact O-CG 3.45Å; D143-W182 WeakPolarHBondContact CA-O 3.29Å; D143-K230 VanDerWaalsContact CG-NZ 3.33Å; D143-K230 IonicContact OD1-NZ 3.62Å; D143-K230 PolarHBondContact OD1-NZ 3.08Å; D143-F251 WeakPolarHBondContact CB-O 3.12Å; D143-F251 PolarHBondContact N-O 3.29Å; D143-D252 HydrophobicContact CB-CB 3.91Å; D143-D252 WeakPolarHBondContact CB-OD2 3.38Å
144V96.9Very high94.9Very high3 Ų337.6 Ų37.62%0.01820%0.204CC..  trans-113.1-60.7-173.9-170.30000111.7Y146 T147 L148 F149 I181 M194V144-Y146 PolarHBondContact O-N 2.84Å; V144-T147 PolarHBondContact O-N 3.33Å; V144-L148 PolarHBondContact O-N 2.8Å; V144-F149 HydrophobicContact CG1-CD1 3.86Å; V144-F149 HydrophobicContact CG1-CE1 3.65Å; V144-I181 HydrophobicContact CG2-CG2 3.34Å; V144-M194 HydrophobicContact CB-CE 4.5Å; V144-M194 HydrophobicContact CG1-CE 3.55Å; V144-M194 HydrophobicContact CG2-CE 4.05Å
145D94.1Very high93.9Very high32 Ų3237 Ų3717%0.17121%0.211CC..BIsolated β-bridgetrans-70124.9-171.1-67.1-28.1000110D143 T147 F149 H151D143-D145 PolarHBondContact OD2-N 2.78Å; D145-T147 PolarHBondContact O-N 3.49Å; D145-F149 VanDerWaalsContact OD1-CE1 3.23Å; D145-F149 WeakPolarHBondContact OD1-CE1 3.22Å; D145-H151 HydrophobicContact CB-CB 4.29Å; D145-H151 WeakPolarHBondContact OD1-CB 3.45Å; D145-H151 IonicContact OD1-CG 3.97Å
146Y97.1Very high93Very high32 Ų3237.3 Ų37.313%0.12521%0.212CC..THydrogen-bonded Turntrans59.4-8.8-171.8-63.8-27.5000116.2V144 F149 H151 R152 R163 P270 F271 M272V144-Y146 PolarHBondContact O-N 2.84Å; Y146-F149 VanDerWaalsContact CA-O 3.29Å; Y146-F149 WeakPolarHBondContact CA-O 3.45Å; Y146-F149 PolarHBondContact N-O 2.88Å; Y146-H151 AromaticContact CD1-CE1 3.81Å; Y146-H151 AromaticContact CD1-ND1 3.45Å; Y146-H151 WeakPolarHBondContact CD1-ND1 3.3Å; Y146-H151 AromaticContact CD2-CE1 3.69Å; Y146-H151 AromaticContact CE1-CE1 3.6Å; Y146-H151 AromaticContact CE1-ND1 3.47Å; Y146-H151 WeakPolarHBondContact CE1-ND1 3.4Å; Y146-H151 AromaticContact CE2-CE1 3.49Å; Y146-H151 VanDerWaalsContact CE2-CE1 3.49Å; Y146-H151 WeakPolarHBondContact CE2-CE1 3.44Å; Y146-H151 AromaticContact CG-CE1 3.87Å; Y146-H151 AromaticContact CG-ND1 3.8Å; Y146-H151 AromaticContact CZ-CE1 3.46Å; Y146-H151 VanDerWaalsContact CZ-CE1 3.46Å; Y146-H151 AromaticContact CZ-ND1 3.85Å; Y146-R152 HydrophobicContact CE1-CG 4.29Å; Y146-R152 WeakPolarHBondContact OH-CD 3.44Å; Y146-R152 VanDerWaalsContact OH-CG 3.3Å; Y146-R152 WeakPolarHBondContact OH-CG 3.18Å; Y146-R152 PolarHBondContact OH-NE 3.15Å; Y146-R163 PolarHBondContact O-NH1 3.01Å; Y146-P270 HydrophobicContact CD2-CB 4.26Å; Y146-P270 HydrophobicContact CG-CB 4.23Å; Y146-F271 WeakPolarHBondContact CD1-O 3.41Å; Y146-F271 PolarHBondContact O-N 2.72Å; Y146-M272 HydrophobicContact CD1-CG 3.85Å; Y146-M272 HydrophobicContact CD2-CG 4.13Å; Y146-M272 HydrophobicContact CE1-CB 4.16Å; Y146-M272 HydrophobicContact CE1-CG 3.61Å; Y146-M272 HydrophobicContact CE2-CG 3.89Å; Y146-M272 HydrophobicContact CE2-SD 4.03Å; Y146-M272 HydrophobicContact CG-CG 4.09Å
147T98.1Very high92.3Very high0 Ų037 Ų370%020%0.195CC..THydrogen-bonded Turntrans-84.1-55.9170.6-64.80000111D143 V144 D145 R163 F251 D253 I268D143-T147 HydrophobicContact CB-CG2 4.31Å; D143-T147 WeakPolarHBondContact CB-OG1 3.2Å; D143-T147 WeakPolarHBondContact O-CB 3.45Å; D143-T147 VanDerWaalsContact O-CG2 3.27Å; D143-T147 WeakPolarHBondContact O-CG2 3.3Å; D143-T147 PolarHBondContact OD2-OG1 3.08Å; V144-T147 PolarHBondContact O-N 3.33Å; D145-T147 PolarHBondContact O-N 3.49Å; T147-R163 WeakPolarHBondContact O-CD 3.5Å; T147-R163 PolarHBondContact O-NH1 3.26Å; T147-F251 HydrophobicContact CG2-CB 4.44Å; T147-D253 PolarHBondContact OG1-N 2.95Å; T147-I268 HydrophobicContact CG2-CG2 4.14Å
148L98.2Very high91.6Very high0 Ų034.3 Ų34.30%019%0.186CC..THydrogen-bonded Turntrans-106.1-20.3-176-54.9-179.3000113.8L142 D143 V144 R163 L166 I181 M194L142-L148 HydrophobicContact CB-CD1 4.39Å; L142-L148 HydrophobicContact CB-CD2 4.5Å; L142-L148 HydrophobicContact CD1-CD2 4.18Å; D143-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 2.8Å; L148-R163 WeakPolarHBondContact O-CB 3.33Å; L148-R163 PolarHBondContact O-N 3.43Å; L148-L166 HydrophobicContact CB-CD1 3.99Å; L148-L166 HydrophobicContact CB-CD2 4.5Å; L148-L166 HydrophobicContact CD1-CD1 4.42Å; L148-L166 HydrophobicContact CD2-CD1 3.67Å; L148-L166 HydrophobicContact CG-CD1 4.21Å; L148-I181 HydrophobicContact CD1-CD1 4.1Å; L148-M194 HydrophobicContact CD1-CE 4.47Å
149F97Very high91.1Very high3 Ų336.7 Ų36.71%0.01320%0.203CC..BIsolated β-bridgetrans-158.9162.8179.787.5-63.6000111.8V144 D145 Y146 H151 L161 K193 L197V144-F149 HydrophobicContact CG1-CD1 3.86Å; V144-F149 HydrophobicContact CG1-CE1 3.65Å; D145-F149 VanDerWaalsContact OD1-CE1 3.23Å; D145-F149 WeakPolarHBondContact OD1-CE1 3.22Å; Y146-F149 VanDerWaalsContact CA-O 3.29Å; Y146-F149 WeakPolarHBondContact CA-O 3.45Å; Y146-F149 PolarHBondContact N-O 2.88Å; F149-H151 HydrophobicContact CE1-CB 3.88Å; F149-H151 VanDerWaalsContact CE2-CA 3.46Å; F149-H151 HydrophobicContact CE2-CB 3.79Å; F149-H151 HydrophobicContact CZ-CB 3.35Å; F149-H151 PolarHBondContact O-N 2.98Å; F149-L161 CarbonylContact C-O 3.54Å; F149-L161 VanDerWaalsContact CA-O 3.27Å; F149-L161 WeakPolarHBondContact CA-O 3.36Å; F149-L161 VanDerWaalsContact CB-O 3.32Å; F149-L161 WeakPolarHBondContact CB-O 3.44Å; F149-L161 HydrophobicContact CD2-CB 4.06Å; F149-K193 HydrophobicContact CE2-CD 3.99Å; F149-K193 HydrophobicContact CZ-CD 3.78Å; F149-K193 HydrophobicContact CZ-CG 4.29Å; F149-L197 HydrophobicContact CB-CD1 3.89Å; F149-L197 HydrophobicContact CB-CD2 3.99Å; F149-L197 HydrophobicContact CD1-CD1 4.04Å; F149-L197 HydrophobicContact CD2-CD2 4.4Å; F149-L197 HydrophobicContact CG-CD1 3.9Å; F149-L197 HydrophobicContact CG-CD2 4.31Å
150D94.6Very high90.6Very high1 Ų140.5 Ų40.51%0.00522%0.221CC..  trans-84.1106171.6-178.3-6000109.9R152 S153 L161 F271 K273 A274D150-R152 VanDerWaalsContact C-N 3.35Å; D150-R152 PolarHBondContact OD1-N 2.88Å; D150-S153 PolarHBondContact OD1-N 3.28Å; D150-S153 VanDerWaalsContact OD1-N 3.07Å; D150-S153 WeakPolarHBondContact OD2-CB 3.34Å; D150-S153 PolarHBondContact OD2-OG 3.13Å; D150-L161 HydrophobicContact CB-CD2 4.42Å; D150-L161 PolarHBondContact N-O 2.86Å; D150-F271 HydrophobicContact CB-CD1 4.07Å; D150-F271 HydrophobicContact CB-CE1 4.12Å; D150-K273 VanDerWaalsContact OD2-CA 3.22Å; D150-K273 WeakPolarHBondContact OD2-CA 3.35Å; D150-K273 PolarHBondContact OD2-N 2.98Å; D150-A274 HydrophobicContact CB-CB 3.84Å; D150-A274 PolarHBondContact OD2-N 3.11Å
151H87.5Confident90.3Very high63 Ų6341.3 Ų41.329%0.29223%0.225SC..SBendtrans-81.9-10.9-17873.1-79.3000114.2D145 Y146 F149D145-H151 HydrophobicContact CB-CB 4.29Å; D145-H151 WeakPolarHBondContact OD1-CB 3.45Å; D145-H151 IonicContact OD1-CG 3.97Å; Y146-H151 AromaticContact CD1-CE1 3.81Å; Y146-H151 AromaticContact CD1-ND1 3.45Å; Y146-H151 WeakPolarHBondContact CD1-ND1 3.3Å; Y146-H151 AromaticContact CD2-CE1 3.69Å; Y146-H151 AromaticContact CE1-CE1 3.6Å; Y146-H151 AromaticContact CE1-ND1 3.47Å; Y146-H151 WeakPolarHBondContact CE1-ND1 3.4Å; Y146-H151 AromaticContact CE2-CE1 3.49Å; Y146-H151 VanDerWaalsContact CE2-CE1 3.49Å; Y146-H151 WeakPolarHBondContact CE2-CE1 3.44Å; Y146-H151 AromaticContact CG-CE1 3.87Å; Y146-H151 AromaticContact CG-ND1 3.8Å; Y146-H151 AromaticContact CZ-CE1 3.46Å; Y146-H151 VanDerWaalsContact CZ-CE1 3.46Å; Y146-H151 AromaticContact CZ-ND1 3.85Å; F149-H151 HydrophobicContact CE1-CB 3.88Å; F149-H151 VanDerWaalsContact CE2-CA 3.46Å; F149-H151 HydrophobicContact CE2-CB 3.79Å; F149-H151 HydrophobicContact CZ-CB 3.35Å; F149-H151 PolarHBondContact O-N 2.98Å
152R84.8Confident90.2Very high88 Ų8842.3 Ų42.333%0.33223%0.23SC..SBendtrans-103.6-29.6-174.2-66.5-151.9-171179.16.5114D91 N92 D93 Y146 D150D91-R152 IonicContact OD1-CZ 3.38Å; D91-R152 VanDerWaalsContact OD1-CZ 3.32Å; D91-R152 IonicContact OD1-NE 3.35Å; D91-R152 IonicContact OD1-NH1 3.78Å; D91-R152 PolarHBondContact OD1-NH1 3.06Å; D91-R152 VanDerWaalsContact OD1-NH1 3.15Å; D91-R152 IonicContact OD1-NH2 3.17Å; N92-R152 PolarHBondContact O-NH2 2.77Å; D93-R152 IonicContact OD1-NH1 3.97Å; Y146-R152 HydrophobicContact CE1-CG 4.29Å; Y146-R152 WeakPolarHBondContact OH-CD 3.44Å; Y146-R152 VanDerWaalsContact OH-CG 3.3Å; Y146-R152 WeakPolarHBondContact OH-CG 3.18Å; Y146-R152 PolarHBondContact OH-NE 3.15Å; D150-R152 VanDerWaalsContact C-N 3.35Å; D150-R152 PolarHBondContact OD1-N 2.88Å
153S79.6Confident90.2Very high23 Ų2342.3 Ų42.316%0.16123%0.23CC..SBendtrans-68.6141.1176.5-69.10000110.9D150 L161D150-S153 PolarHBondContact OD1-N 3.28Å; D150-S153 VanDerWaalsContact OD1-N 3.07Å; D150-S153 WeakPolarHBondContact OD2-CB 3.34Å; D150-S153 PolarHBondContact OD2-OG 3.13Å; S153-L161 VanDerWaalsContact O-CD2 3.27Å; S153-L161 WeakPolarHBondContact O-CD2 3.46Å
154C81.7Confident90.2Very high132 Ų13242.5 Ų42.589%0.89223%0.231SC*.  trans-78.4141.8166.1-61.60000109.8
155A77.8Confident90.2Very high42 Ų4246.5 Ų46.535%0.34725%0.247SC..  trans-150.3160177.100000110.3E160 L161A155-E160 HydrophobicContact CB-CB 3.77Å; A155-E160 WeakPolarHBondContact CB-OE2 3.44Å; A155-L161 HydrophobicContact CB-CD1 3.95Å; A155-L161 HydrophobicContact CB-CD2 3.67Å; A155-L161 HydrophobicContact CB-CG 3.54Å
156E77.9Confident90.5Very high188 Ų18845 Ų4588%0.87924%0.239SC*.SBendtrans-77.9-29.5173.8-65.3-173.217600111.4E160E156-E160 PolarHBondContact N-OE2 3.26Å
157T82.4Confident90.5Very high67 Ų6745.7 Ų45.741%0.41124%0.243SC..SBendtrans-135148.8-17970.10000112.3V159 E160T157-V159 PolarHBondContact O-N 3.12Å; T157-V159 VanDerWaalsContact O-N 3.13Å; T157-E160 PolarHBondContact N-OE1 3.1Å; T157-E160 WeakPolarHBondContact O-CB 3.33Å; T157-E160 PolarHBondContact O-N 2.67Å; T157-E160 VanDerWaalsContact O-N 3.16Å; T157-E160 PolarHBondContact OG1-OE1 3.09Å
158G82.9Confident90.6Very high8 Ų851.3 Ų51.38%0.08227%0.269CS..Hα-helixtrans-60.5-22.6175.300000114E160 L161 M162G158-E160 VanDerWaalsContact C-N 3.29Å; G158-E160 PolarHBondContact O-N 3.41Å; G158-L161 PolarHBondContact O-N 3.44Å; G158-M162 PolarHBondContact O-N 3.28Å
159V88.5Confident90.6Very high80 Ų8051.3 Ų51.349%0.48527%0.269SS..Hα-helixtrans-66.6-31.1178.3177.60000112.2T157 L161 M162T157-V159 PolarHBondContact O-N 3.12Å; T157-V159 VanDerWaalsContact O-N 3.13Å; V159-L161 VanDerWaalsContact C-N 3.29Å; V159-M162 HydrophobicContact CG1-CE 4.41Å
160E87.4Confident90.7Very high81 Ų8151.1 Ų51.138%0.37927%0.269SS..Hα-helixtrans-69.7-30.5175.7-71.1155.3-129.200111.8A155 E156 T157 G158 A274A155-E160 HydrophobicContact CB-CB 3.77Å; A155-E160 WeakPolarHBondContact CB-OE2 3.44Å; E156-E160 PolarHBondContact N-OE2 3.26Å; T157-E160 PolarHBondContact N-OE1 3.1Å; T157-E160 WeakPolarHBondContact O-CB 3.33Å; T157-E160 PolarHBondContact O-N 2.67Å; T157-E160 VanDerWaalsContact O-N 3.16Å; T157-E160 PolarHBondContact OG1-OE1 3.09Å; G158-E160 VanDerWaalsContact C-N 3.29Å; G158-E160 PolarHBondContact O-N 3.41Å; E160-A274 VanDerWaalsContact O-CB 3.32Å; E160-A274 WeakPolarHBondContact O-CB 3.31Å
161L93.1Very high90.9Very high16 Ų1652.9 Ų52.98%0.08428%0.279CS..Hα-helixtrans-89.6-20.5178.9-58.9178.5000113F149 D150 S153 A155 G158 V159 R163 F271 A274F149-L161 CarbonylContact C-O 3.54Å; F149-L161 VanDerWaalsContact CA-O 3.27Å; F149-L161 WeakPolarHBondContact CA-O 3.36Å; F149-L161 VanDerWaalsContact CB-O 3.32Å; F149-L161 WeakPolarHBondContact CB-O 3.44Å; F149-L161 HydrophobicContact CD2-CB 4.06Å; D150-L161 HydrophobicContact CB-CD2 4.42Å; D150-L161 PolarHBondContact N-O 2.86Å; S153-L161 VanDerWaalsContact O-CD2 3.27Å; S153-L161 WeakPolarHBondContact O-CD2 3.46Å; A155-L161 HydrophobicContact CB-CD1 3.95Å; A155-L161 HydrophobicContact CB-CD2 3.67Å; A155-L161 HydrophobicContact CB-CG 3.54Å; G158-L161 PolarHBondContact O-N 3.44Å; V159-L161 VanDerWaalsContact C-N 3.29Å; L161-R163 PolarHBondContact O-N 2.83Å; L161-F271 WeakPolarHBondContact O-CE1 3.48Å; L161-A274 HydrophobicContact CD2-CB 4.48Å
162M97.1Very high91.4Very high22 Ų2250.8 Ų50.811%0.10827%0.272CS..BIsolated β-bridgetrans-60.5130.4180-171.9170.265.400111.1G158 V159 L166 L197G158-M162 PolarHBondContact O-N 3.28Å; V159-M162 HydrophobicContact CG1-CE 4.41Å; M162-L166 HydrophobicContact CG-CB 3.8Å; M162-L166 HydrophobicContact CG-CD2 3.51Å; M162-L166 HydrophobicContact CG-CG 4.28Å; M162-L166 HydrophobicContact SD-CB 4.02Å; M162-L166 HydrophobicContact SD-CD2 3.71Å; M162-L166 HydrophobicContact SD-CG 4.35Å; M162-L197 HydrophobicContact CB-CD2 3.97Å; M162-L197 HydrophobicContact CG-CD2 4.27Å
163R98.5Very high92.1Very high0 Ų046.8 Ų46.80%026%0.257CS..PPolyproline II helixtrans-61.9135.5176.1-170.2170.7-169.7155.316109.8Y146 T147 L148 L161 Y165 L166 R269 F271 D281 L284Y146-R163 PolarHBondContact O-NH1 3.01Å; T147-R163 WeakPolarHBondContact O-CD 3.5Å; T147-R163 PolarHBondContact O-NH1 3.26Å; L148-R163 WeakPolarHBondContact O-CB 3.33Å; L148-R163 PolarHBondContact O-N 3.43Å; L161-R163 PolarHBondContact O-N 2.83Å; R163-Y165 PolarHBondContact O-N 3.34Å; R163-L166 WeakPolarHBondContact O-CB 3.36Å; R163-L166 PolarHBondContact O-N 3Å; R163-R269 VanDerWaalsContact CZ-O 3.28Å; R163-R269 PolarHBondContact NH1-O 2.91Å; R163-R269 PolarHBondContact NH2-O 3.38Å; R163-F271 HydrophobicContact CB-CB 4.45Å; R163-F271 HydrophobicContact CB-CD1 3.78Å; R163-F271 HydrophobicContact CB-CE1 4.18Å; R163-F271 HydrophobicContact CB-CG 4.05Å; R163-F271 HydrophobicContact CG-CB 3.98Å; R163-F271 HydrophobicContact CG-CD1 3.98Å; R163-F271 HydrophobicContact CG-CD2 4.02Å; R163-F271 HydrophobicContact CG-CE1 4.49Å; R163-F271 HydrophobicContact CG-CG 3.71Å; R163-D281 IonicContact CZ-OD1 3.4Å; R163-D281 IonicContact CZ-OD2 3.26Å; R163-D281 IonicContact NE-OD1 3.82Å; R163-D281 PolarHBondContact NE-OD1 2.78Å; R163-D281 IonicContact NE-OD2 3.49Å; R163-D281 PolarHBondContact NE-OD2 2.83Å; R163-D281 IonicContact NH2-OD1 2.64Å; R163-D281 IonicContact NH2-OD2 2.81Å; R163-D281 PolarHBondContact NH2-OD2 3.35Å; R163-L284 HydrophobicContact CB-CD1 4.04Å; R163-L284 HydrophobicContact CG-CD1 3.92Å; R163-L284 HydrophobicContact CG-CG 4.12Å
164P98.4Very high93Very high11 Ų1147.9 Ų47.97%0.07126%0.258CS..THydrogen-bonded Turntrans-51.8141.9178.2-27.733.5000112.5L166 F271 R278 D281P164-L166 VanDerWaalsContact C-N 3.27Å; P164-L166 PolarHBondContact O-N 3.37Å; P164-F271 HydrophobicContact CG-CE2 4.38Å; P164-F271 HydrophobicContact CG-CZ 4.48Å; P164-R278 HydrophobicContact CG-CB 4.41Å; P164-R278 HydrophobicContact CG-CG 3.77Å; P164-R278 WeakPolarHBondContact CG-O 3.44Å; P164-D281 HydrophobicContact CG-CB 4.15Å
165Y98.4Very high93.8Very high87 Ų8746.8 Ų46.834%0.34124%0.24SC..THydrogen-bonded Turntrans67.415.9179.2-46.8-79.5000115.5R163 H167 E168 F169 K282 L285R163-Y165 PolarHBondContact O-N 3.34Å; Y165-H167 PolarHBondContact O-N 3.29Å; Y165-E168 VanDerWaalsContact C-OE2 3.28Å; Y165-E168 VanDerWaalsContact CA-OE2 3.28Å; Y165-E168 WeakPolarHBondContact CA-OE2 3.15Å; Y165-E168 PolarHBondContact O-N 2.86Å; Y165-F169 WeakPolarHBondContact O-CB 3.36Å; Y165-F169 PolarHBondContact O-N 2.92Å; Y165-K282 HydrophobicContact CE2-CG 4.17Å; Y165-L285 HydrophobicContact CD2-CB 3.89Å; Y165-L285 HydrophobicContact CE1-CD2 4.42Å; Y165-L285 HydrophobicContact CE2-CB 4.25Å; Y165-L285 HydrophobicContact CE2-CD2 4.39Å; Y165-L285 HydrophobicContact CG-CB 4.05Å
166L98.7Very high94.8Very high1 Ų147 Ų471%0.00524%0.236CC..Hα-helixtrans-53.4-51.7-177.1177.560.6000113.1L148 M162 R163 P164 F169 L170 L197 V199 L284L148-L166 HydrophobicContact CB-CD1 3.99Å; L148-L166 HydrophobicContact CB-CD2 4.5Å; L148-L166 HydrophobicContact CD1-CD1 4.42Å; L148-L166 HydrophobicContact CD2-CD1 3.67Å; L148-L166 HydrophobicContact CG-CD1 4.21Å; M162-L166 HydrophobicContact CG-CB 3.8Å; M162-L166 HydrophobicContact CG-CD2 3.51Å; M162-L166 HydrophobicContact CG-CG 4.28Å; M162-L166 HydrophobicContact SD-CB 4.02Å; M162-L166 HydrophobicContact SD-CD2 3.71Å; M162-L166 HydrophobicContact SD-CG 4.35Å; R163-L166 WeakPolarHBondContact O-CB 3.36Å; R163-L166 PolarHBondContact O-N 3Å; P164-L166 VanDerWaalsContact C-N 3.27Å; P164-L166 PolarHBondContact O-N 3.37Å; L166-F169 PolarHBondContact O-N 2.88Å; L166-L170 HydrophobicContact CD1-CD1 3.79Å; L166-L170 HydrophobicContact CD1-CG 4.1Å; L166-L170 HydrophobicContact CG-CD1 4.08Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.48Å; L166-L170 PolarHBondContact O-N 2.76Å; L166-L197 HydrophobicContact CD2-CB 4.47Å; L166-V199 HydrophobicContact CD2-CG2 3.86Å; L166-L284 HydrophobicContact CB-CD1 4.25Å; L166-L284 HydrophobicContact CD1-CD1 4.09Å
167H98.7Very high95.8Very high47 Ų4738.1 Ų38.122%0.21819%0.194CC..Hα-helixtrans-73-36-175.2-66.1-49.5000112.4Y165 L170 T171 L197 N202 Y205Y165-H167 PolarHBondContact O-N 3.29Å; H167-L170 PolarHBondContact O-N 3.21Å; H167-T171 VanDerWaalsContact O-CB 3.26Å; H167-T171 WeakPolarHBondContact O-CB 3.32Å; H167-T171 PolarHBondContact O-N 3.22Å; H167-T171 PolarHBondContact O-OG1 3.19Å; H167-L197 PolarHBondContact CE1-O 2.76Å; H167-L197 PolarHBondContact NE2-O 3.28Å; H167-N202 PolarHBondContact ND1-ND2 3.19Å; H167-Y205 HydrophobicContact CB-CE1 4.46Å; H167-Y205 PolarHBondContact CE1-OH 2.76Å; H167-Y205 AromaticContact ND1-CZ 3.88Å; H167-Y205 PolarHBondContact ND1-OH 2.88Å
168E98.7Very high96.6Very high117 Ų11735 Ų3555%0.54717%0.174SC..Hα-helixtrans-64-43.3174.6-62.289.6153.800110.8Y165 S172Y165-E168 VanDerWaalsContact C-OE2 3.28Å; Y165-E168 VanDerWaalsContact CA-OE2 3.28Å; Y165-E168 WeakPolarHBondContact CA-OE2 3.15Å; Y165-E168 PolarHBondContact O-N 2.86Å; E168-S172 WeakPolarHBondContact O-CB 3.32Å; E168-S172 PolarHBondContact O-N 3.3Å
169F98.9Very high97.4Very high0 Ų034.6 Ų34.60%017%0.17CC..Hα-helixtrans-60-52.4174.1166-100.7000111.7L140 L142 Y165 L166 T171 S172 A173 F251 L284 L287 T288 L291L140-F169 HydrophobicContact CD2-CE1 4.29Å; L140-F169 HydrophobicContact CD2-CZ 3.93Å; L142-F169 HydrophobicContact CD1-CE1 3.94Å; L142-F169 HydrophobicContact CD2-CE1 4.11Å; L142-F169 HydrophobicContact CD2-CZ 4.19Å; Y165-F169 WeakPolarHBondContact O-CB 3.36Å; Y165-F169 PolarHBondContact O-N 2.92Å; L166-F169 PolarHBondContact O-N 2.88Å; F169-T171 PolarHBondContact O-N 2.87Å; F169-S172 PolarHBondContact O-N 2.95Å; F169-A173 VanDerWaalsContact O-CB 3.28Å; F169-A173 WeakPolarHBondContact O-CB 3.27Å; F169-A173 PolarHBondContact O-N 3.36Å; F169-F251 AromaticContact CE2-CE2 3.92Å; F169-F251 HydrophobicContact CE2-CE2 3.92Å; F169-F251 AromaticContact CZ-CD2 3.95Å; F169-F251 HydrophobicContact CZ-CD2 3.95Å; F169-F251 AromaticContact CZ-CE2 3.71Å; F169-F251 HydrophobicContact CZ-CE2 3.71Å; F169-L284 HydrophobicContact CB-CB 3.98Å; F169-L284 HydrophobicContact CB-CD1 4.48Å; F169-L284 HydrophobicContact CD1-CD1 4.43Å; F169-L284 HydrophobicContact CD1-CD2 4.15Å; F169-L284 HydrophobicContact CD2-CB 4.34Å; F169-L284 HydrophobicContact CD2-CD2 4.41Å; F169-L284 WeakPolarHBondContact CD2-O 3.1Å; F169-L284 HydrophobicContact CE1-CD2 4.28Å; F169-L284 HydrophobicContact CG-CB 4.11Å; F169-L284 HydrophobicContact CG-CD2 4.23Å; F169-L284 HydrophobicContact CZ-CD2 4.48Å; F169-L287 HydrophobicContact CE2-CB 4.07Å; F169-T288 WeakPolarHBondContact CA-OG1 3.47Å; F169-T288 WeakPolarHBondContact CD2-OG1 3.46Å; F169-L291 HydrophobicContact CE2-CD1 3.58Å; F169-L291 HydrophobicContact CZ-CD1 3.84Å
170L98.9Very high97.9Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-65.2-38.2-179.1-68.5175.2000112.4L142 L166 H167 A173 Y174 I179 V199 Y205L142-L170 HydrophobicContact CD1-CD2 3.44Å; L142-L170 VanDerWaalsContact CD1-CD2 3.44Å; L166-L170 HydrophobicContact CD1-CD1 3.79Å; L166-L170 HydrophobicContact CD1-CG 4.1Å; L166-L170 HydrophobicContact CG-CD1 4.08Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.48Å; L166-L170 PolarHBondContact O-N 2.76Å; H167-L170 PolarHBondContact O-N 3.21Å; L170-A173 PolarHBondContact O-N 3.47Å; L170-Y174 VanDerWaalsContact O-CB 3.25Å; L170-Y174 WeakPolarHBondContact O-CB 3.3Å; L170-Y174 PolarHBondContact O-N 2.83Å; L170-I179 HydrophobicContact CB-CD1 4.45Å; L170-I179 HydrophobicContact CD2-CD1 4.07Å; L170-I179 HydrophobicContact CD2-CG2 4.2Å; L170-V199 HydrophobicContact CD1-CG1 4.01Å; L170-V199 HydrophobicContact CD1-CG2 4.08Å; L170-Y205 HydrophobicContact CB-CD1 3.79Å; L170-Y205 HydrophobicContact CB-CD2 4.11Å; L170-Y205 HydrophobicContact CB-CE1 3.59Å; L170-Y205 HydrophobicContact CB-CE2 3.94Å; L170-Y205 HydrophobicContact CB-CG 4.03Å; L170-Y205 HydrophobicContact CD1-CE1 4.31Å; L170-Y205 HydrophobicContact CD1-CE2 3.74Å; L170-Y205 WeakPolarHBondContact CD1-OH 3.22Å; L170-Y205 HydrophobicContact CG-CE2 4.46Å
171T98.9Very high98.4Very high37 Ų3726.9 Ų26.923%0.22713%0.129CC..Hα-helixtrans-60.4-51174.9-58.70000110.6H167 F169 A173 Y174 N204 Y205H167-T171 VanDerWaalsContact O-CB 3.26Å; H167-T171 WeakPolarHBondContact O-CB 3.32Å; H167-T171 PolarHBondContact O-N 3.22Å; H167-T171 PolarHBondContact O-OG1 3.19Å; F169-T171 PolarHBondContact O-N 2.87Å; T171-A173 PolarHBondContact O-N 3.42Å; T171-Y174 PolarHBondContact O-N 2.87Å; T171-N204 HydrophobicContact CG2-CB 3.81Å; T171-N204 WeakPolarHBondContact OG1-CB 3.32Å; T171-Y205 WeakPolarHBondContact OG1-CD1 3.19Å
172S98.9Very high98.7Very high20 Ų2026.1 Ų26.114%0.1413%0.125CC..Hα-helixtrans-66.4-39-179.6175.70000112.5E168 F169 Y174 E175 T288 K292E168-S172 WeakPolarHBondContact O-CB 3.32Å; E168-S172 PolarHBondContact O-N 3.3Å; F169-S172 PolarHBondContact O-N 2.95Å; S172-Y174 VanDerWaalsContact C-N 3.34Å; S172-E175 PolarHBondContact O-N 2.91Å; S172-T288 VanDerWaalsContact CB-CG2 3.43Å; S172-T288 WeakPolarHBondContact OG-CG2 3.49Å; S172-K292 VanDerWaalsContact O-CE 3.32Å; S172-K292 WeakPolarHBondContact O-CE 3.37Å; S172-K292 PolarHBondContact O-NZ 2.78Å; S172-K292 VanDerWaalsContact O-NZ 3.09Å; S172-K292 WeakPolarHBondContact OG-CE 3.45Å
173A98.9Very high98.7Very high3 Ų325.2 Ų25.23%0.02512%0.121CC..Hα-helixtrans-64.2-40.8175.900000111.1L140 F169 L170 T171 E175 D176 Y177 I179 L291L140-A173 HydrophobicContact CD2-CB 3.74Å; F169-A173 VanDerWaalsContact O-CB 3.28Å; F169-A173 WeakPolarHBondContact O-CB 3.27Å; F169-A173 PolarHBondContact O-N 3.36Å; L170-A173 PolarHBondContact O-N 3.47Å; T171-A173 PolarHBondContact O-N 3.42Å; A173-E175 PolarHBondContact O-N 2.88Å; A173-E175 VanDerWaalsContact O-N 3.12Å; A173-D176 PolarHBondContact O-N 3.28Å; A173-Y177 WeakPolarHBondContact O-CB 3.49Å; A173-Y177 WeakPolarHBondContact O-CD2 3.42Å; A173-Y177 PolarHBondContact O-N 3.38Å; A173-I179 HydrophobicContact CB-CD1 4.37Å; A173-L291 HydrophobicContact CB-CD1 4.05Å
174Y98.9Very high98.4Very high47 Ų4727.5 Ų27.518%0.18414%0.14CC..Hα-helixtrans-61.3-24.6-177.6-172.7-114.5000113.6R134 L170 T171 S172 D176 Y177 I179 Y205 K206R134-Y174 VanDerWaalsContact CZ-O 3.23Å; R134-Y174 VanDerWaalsContact NH1-CZ 3.28Å; R134-Y174 PolarHBondContact NH1-O 3.43Å; R134-Y174 PolarHBondContact NH2-O 2.82Å; L170-Y174 VanDerWaalsContact O-CB 3.25Å; L170-Y174 WeakPolarHBondContact O-CB 3.3Å; L170-Y174 PolarHBondContact O-N 2.83Å; T171-Y174 PolarHBondContact O-N 2.87Å; S172-Y174 VanDerWaalsContact C-N 3.34Å; Y174-D176 PolarHBondContact O-N 3.48Å; Y174-Y177 WeakPolarHBondContact CA-O 3.22Å; Y174-I179 HydrophobicContact CD2-CD1 4.24Å; Y174-I179 HydrophobicContact CD2-CG1 4.44Å; Y174-Y205 VanDerWaalsContact CB-CB 3.5Å; Y174-K206 WeakPolarHBondContact CD2-O 3.23Å; Y174-K206 HydrophobicContact CE2-CB 3.88Å; Y174-K206 VanDerWaalsContact CE2-O 3.28Å; Y174-K206 WeakPolarHBondContact CE2-O 3.29Å
175E98.8Very high97.8Very high108 Ų10827.8 Ų27.851%0.50514%0.141SC..THydrogen-bonded Turntrans-58.8-34.4173.8-67.3176.8-15700112.5K137 S172 A173 K292K137-E175 WeakPolarHBondContact CE-O 3.08Å; K137-E175 PolarHBondContact NZ-O 3.35Å; S172-E175 PolarHBondContact O-N 2.91Å; A173-E175 PolarHBondContact O-N 2.88Å; A173-E175 VanDerWaalsContact O-N 3.12Å; E175-K292 VanDerWaalsContact CD-NZ 3.34Å; E175-K292 IonicContact OE2-NZ 2.61Å; E175-K292 PolarHBondContact OE2-NZ 3.14Å
176D98.8Very high97.5Very high48 Ų4827.3 Ų27.326%0.25715%0.145SC..THydrogen-bonded Turntrans-118.7-20.5-172.7-59.4-61.5000113.5K138 A173 Y174 K292 A295K138-D176 PolarHBondContact N-O 3Å; A173-D176 PolarHBondContact O-N 3.28Å; Y174-D176 PolarHBondContact O-N 3.48Å; D176-K292 WeakPolarHBondContact OD2-CD 3.49Å; D176-K292 IonicContact OD2-NZ 2.72Å; D176-K292 PolarHBondContact OD2-NZ 3.33Å; D176-A295 HydrophobicContact CB-CB 3.7Å
177Y98.9Very high97.3Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-124.9136-172.9-61.7-99.4000111.8R134 K138 L140 A173 Y174 I249 L291 I294 A295 F300R134-Y177 PolarHBondContact NH2-O 3.22Å; K138-Y177 HydrophobicContact CB-CD1 3.4Å; K138-Y177 HydrophobicContact CB-CE1 3.44Å; K138-Y177 VanDerWaalsContact CB-CE1 3.44Å; K138-Y177 HydrophobicContact CB-CG 4.09Å; K138-Y177 HydrophobicContact CG-CD1 4.5Å; K138-Y177 HydrophobicContact CG-CE1 4.2Å; K138-Y177 CarbonylContact O-C 3.42Å; K138-Y177 VanDerWaalsContact O-CA 3.27Å; K138-Y177 WeakPolarHBondContact O-CA 3.42Å; L140-Y177 HydrophobicContact CB-CD1 3.87Å; L140-Y177 HydrophobicContact CB-CG 4Å; A173-Y177 WeakPolarHBondContact O-CB 3.49Å; A173-Y177 WeakPolarHBondContact O-CD2 3.42Å; A173-Y177 PolarHBondContact O-N 3.38Å; Y174-Y177 WeakPolarHBondContact CA-O 3.22Å; Y177-I249 HydrophobicContact CE1-CG2 4.02Å; Y177-L291 HydrophobicContact CE1-CD2 4.25Å; Y177-L291 HydrophobicContact CE2-CB 3.85Å; Y177-L291 HydrophobicContact CE2-CD2 4.21Å; Y177-L291 HydrophobicContact CE2-CG 4.46Å; Y177-L291 PolarHBondContact OH-O 3.27Å; Y177-L291 VanDerWaalsContact OH-O 3.13Å; Y177-I294 VanDerWaalsContact OH-CG1 3.24Å; Y177-I294 WeakPolarHBondContact OH-CG1 3.19Å; Y177-A295 HydrophobicContact CE2-CB 3.88Å; Y177-A295 PolarHBondContact OH-N 2.94Å; Y177-F300 AromaticContact CE1-CE2 3.92Å; Y177-F300 HydrophobicContact CE1-CE2 3.92Å; Y177-F300 AromaticContact CE1-CZ 3.95Å; Y177-F300 HydrophobicContact CE1-CZ 3.95Å; Y177-F300 WeakPolarHBondContact OH-CZ 3.41Å
178D98.9Very high97.1Very high1 Ų134.4 Ų34.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-71.3138.5154.4-72.1-23.1000109.4P133 R134 K138 L140 T208 Y243P133-D178 WeakPolarHBondContact CA-OD2 3.49Å; R134-D178 IonicContact CZ-OD1 3.23Å; R134-D178 VanDerWaalsContact CZ-OD1 3.23Å; R134-D178 PolarHBondContact N-OD2 2.77Å; R134-D178 IonicContact NE-OD1 2.71Å; R134-D178 PolarHBondContact NE-OD1 3.05Å; R134-D178 IonicContact NH2-OD1 2.88Å; R134-D178 PolarHBondContact NH2-OD1 3.2Å; K138-D178 PolarHBondContact O-N 3.49Å; L140-D178 PolarHBondContact N-O 2.95Å; D178-T208 WeakPolarHBondContact CB-OG1 3.27Å; D178-Y243 HydrophobicContact CB-CE1 4.14Å; D178-Y243 WeakPolarHBondContact CB-OH 3.45Å; D178-Y243 VanDerWaalsContact CG-OH 3.24Å; D178-Y243 PolarHBondContact OD2-OH 3.48Å
179I98.9Very high96.6Very high0 Ų033.5 Ų33.50%017%0.168CC..EExtended strand (participates in β ladder)trans-112.2124.9-169.6-54.6176.1000109.2L140 L142 L170 A173 Y174 I207 T208L140-I179 WeakPolarHBondContact O-CA 3.37Å; L142-I179 HydrophobicContact CD1-CG2 3.94Å; L170-I179 HydrophobicContact CB-CD1 4.45Å; L170-I179 HydrophobicContact CD2-CD1 4.07Å; L170-I179 HydrophobicContact CD2-CG2 4.2Å; A173-I179 HydrophobicContact CB-CD1 4.37Å; Y174-I179 HydrophobicContact CD2-CD1 4.24Å; Y174-I179 HydrophobicContact CD2-CG1 4.44Å; I179-I207 HydrophobicContact CB-CD1 4.07Å; I179-I207 HydrophobicContact CG2-CD1 3.67Å; I179-T208 PolarHBondContact O-N 3.26Å; I179-T208 PolarHBondContact O-OG1 3.35Å
180V98.9Very high96.4Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-119.4134.2175.7169.90000109.1L139 L140 V141 L142 F209 L211 I235L139-V180 HydrophobicContact CD1-CB 4.25Å; L139-V180 HydrophobicContact CD1-CG2 3.66Å; L140-V180 PolarHBondContact O-N 3.01Å; V141-V180 CarbonylContact C-O 3.51Å; V141-V180 WeakPolarHBondContact CA-O 3.48Å; V141-V180 HydrophobicContact CG1-CG1 4.45Å; V141-V180 HydrophobicContact CG2-CB 4.34Å; L142-V180 PolarHBondContact N-O 3.5Å; V180-F209 WeakPolarHBondContact CA-O 3.15Å; V180-F209 HydrophobicContact CB-CD2 4.43Å; V180-F209 HydrophobicContact CB-CE2 4.13Å; V180-F209 HydrophobicContact CG1-CD2 3.77Å; V180-F209 HydrophobicContact CG1-CE2 3.53Å; V180-F209 HydrophobicContact CG1-CZ 4.36Å; V180-F209 HydrophobicContact CG2-CD1 4.23Å; V180-F209 HydrophobicContact CG2-CD2 3.81Å; V180-F209 HydrophobicContact CG2-CE1 3.85Å; V180-F209 HydrophobicContact CG2-CE2 3.4Å; V180-F209 HydrophobicContact CG2-CG 4.2Å; V180-F209 HydrophobicContact CG2-CZ 3.4Å; V180-F209 VanDerWaalsContact CG2-CZ 3.4Å; V180-L211 HydrophobicContact CG1-CD1 4.44Å; V180-L211 HydrophobicContact CG1-CG 4.41Å; V180-I235 HydrophobicContact CG1-CD1 4.26Å
181I98.9Very high96.2Very high0 Ų038 Ų380%019%0.189CC..EExtended strand (participates in β ladder)trans-96.2130.1171.9-56.3-59.4000108.5L142 V144 L148 I190 M194 I207 F209 M210 L211L142-I181 HydrophobicContact CB-CD1 4.11Å; L142-I181 HydrophobicContact CD1-CD1 4.41Å; L142-I181 CarbonylContact O-C 3.58Å; L142-I181 WeakPolarHBondContact O-CA 3.4Å; V144-I181 HydrophobicContact CG2-CG2 3.34Å; L148-I181 HydrophobicContact CD1-CD1 4.1Å; I181-I190 HydrophobicContact CG2-CG2 3.86Å; I181-M194 HydrophobicContact CD1-SD 4.04Å; I181-M194 HydrophobicContact CG1-SD 3.84Å; I181-M194 HydrophobicContact CG2-SD 4.19Å; I181-I207 HydrophobicContact CD1-CD1 4.38Å; I181-I207 HydrophobicContact CG1-CD1 4.34Å; I181-I207 HydrophobicContact CG1-CG2 4Å; I181-F209 PolarHBondContact N-O 3.45Å; I181-M210 HydrophobicContact CB-CB 4.45Å; I181-M210 HydrophobicContact CB-CG 4.07Å; I181-M210 HydrophobicContact CG1-CG 4.47Å; I181-M210 CarbonylContact O-C 3.52Å; I181-M210 VanDerWaalsContact O-CA 3.27Å; I181-M210 WeakPolarHBondContact O-CA 3.45Å; I181-L211 PolarHBondContact O-N 3.43Å
182W98.8Very high96Very high0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-133.8103.6175.1-163.7-9.4000111.3V141 L142 D143 L211 D212 A215 M216 K230 P231 L232 V234 I235V141-W182 HydrophobicContact CG1-CB 3.87Å; V141-W182 HydrophobicContact CG1-CE3 4.16Å; L142-W182 PolarHBondContact O-N 2.95Å; D143-W182 WeakPolarHBondContact CA-O 3.29Å; W182-L211 WeakPolarHBondContact CA-O 3.47Å; W182-L211 HydrophobicContact CB-CB 4.12Å; W182-L211 VanDerWaalsContact CD1-CB 3.5Å; W182-L211 HydrophobicContact CD2-CB 3.85Å; W182-L211 HydrophobicContact CD2-CD1 3.66Å; W182-L211 HydrophobicContact CD2-CG 4.41Å; W182-L211 HydrophobicContact CE3-CD1 3.62Å; W182-L211 HydrophobicContact CG-CB 3.59Å; W182-L211 HydrophobicContact CG-CD1 4.2Å; W182-L211 HydrophobicContact CG-CG 4.49Å; W182-L211 HydrophobicContact CH2-CD1 4.16Å; W182-L211 HydrophobicContact CZ2-CD1 4.2Å; W182-L211 HydrophobicContact CZ3-CD1 3.89Å; W182-D212 PolarHBondContact NE1-O 3.14Å; W182-A215 HydrophobicContact CZ2-CB 3.75Å; W182-M216 HydrophobicContact CZ2-CG 4.41Å; W182-K230 HydrophobicContact CB-CD 4.37Å; W182-K230 HydrophobicContact CD2-CB 3.84Å; W182-K230 HydrophobicContact CD2-CD 4.12Å; W182-K230 HydrophobicContact CD2-CG 4.04Å; W182-K230 HydrophobicContact CE3-CB 3.93Å; W182-K230 HydrophobicContact CG-CD 3.9Å; W182-K230 HydrophobicContact CG-CG 4.25Å; W182-K230 HydrophobicContact CH2-CB 4.04Å; W182-K230 HydrophobicContact CZ2-CB 3.93Å; W182-K230 HydrophobicContact CZ2-CG 4.38Å; W182-K230 HydrophobicContact CZ3-CB 4.03Å; W182-K230 WeakPolarHBondContact O-CE 3.21Å; W182-K230 PolarHBondContact O-NZ 3.24Å; W182-P231 HydrophobicContact CH2-CG 4.29Å; W182-P231 WeakPolarHBondContact CH2-O 2.96Å; W182-L232 HydrophobicContact CZ3-CD2 4.3Å; W182-V234 HydrophobicContact CH2-CB 4.45Å; W182-I235 HydrophobicContact CE3-CD1 4.08Å; W182-I235 HydrophobicContact CZ3-CD1 4.03Å; W182-I235 HydrophobicContact CZ3-CG1 4.36Å
183S96.3Very high95.7Very high2 Ų239.9 Ų39.91%0.01420%0.201CC..  trans-106151.3176.3178.60000111.3T185 L211 D212 S213S183-T185 PolarHBondContact O-N 3.39Å; S183-T185 PolarHBondContact OG-N 2.79Å; S183-T185 PolarHBondContact OG-OG1 2.88Å; S183-L211 PolarHBondContact N-O 3.03Å; S183-L211 VanDerWaalsContact N-O 3.11Å; S183-D212 CarbonylContact O-C 3.58Å; S183-D212 VanDerWaalsContact O-C 3.31Å; S183-D212 WeakPolarHBondContact O-CA 3.45Å; S183-S213 PolarHBondContact O-N 3.29Å
184A92.2Very high95.6Very high49 Ų4939.8 Ų39.841%0.40520%0.2SC..SBendtrans-80.314.6171.400000113.3S213 M216A184-S213 WeakPolarHBondContact O-CB 3.43Å; A184-M216 HydrophobicContact CB-CE 4.19Å; A184-M216 HydrophobicContact CB-SD 3.66Å
185T87.3Confident95.4Very high16 Ų1644.9 Ų44.910%0.09822%0.223CC..SBendtrans-102.2178.9176.662.60000111.3P89 S183 D212 S213P89-T185 HydrophobicContact CG-CG2 3.92Å; S183-T185 PolarHBondContact O-N 3.39Å; S183-T185 PolarHBondContact OG-N 2.79Å; S183-T185 PolarHBondContact OG-OG1 2.88Å; T185-D212 VanDerWaalsContact O-CB 3.3Å; T185-D212 WeakPolarHBondContact O-CB 3.15Å; T185-S213 PolarHBondContact O-N 2.74Å; T185-S213 PolarHBondContact O-OG 2.85Å
186N91.5Very high95.1Very high77 Ų7744 Ų4441%0.41222%0.219SC..  trans-73.7146.6173-176.7-84.5000111.5K188 W189 I190N186-K188 PolarHBondContact O-N 2.67Å; N186-K188 WeakPolarHBondContact OD1-CB 3.31Å; N186-K188 PolarHBondContact OD1-N 3.45Å; N186-W189 WeakPolarHBondContact O-CB 3.26Å; N186-W189 PolarHBondContact O-N 3.21Å; N186-I190 PolarHBondContact O-N 3.35Å
187M95.3Very high95Very high42 Ų4242 Ų4221%0.20721%0.208CC..Hα-helixtrans-47.2-39.2178.5-172.459.670.700114.6W189 I190 E191 M210 D212M187-W189 VanDerWaalsContact C-N 3.26Å; M187-W189 PolarHBondContact O-N 2.95Å; M187-I190 WeakPolarHBondContact O-CB 3.35Å; M187-I190 PolarHBondContact O-N 3.09Å; M187-I190 VanDerWaalsContact O-N 3.1Å; M187-I190 HydrophobicContact SD-CB 4.43Å; M187-I190 HydrophobicContact SD-CD1 4.41Å; M187-E191 HydrophobicContact CG-CG 4.27Å; M187-E191 WeakPolarHBondContact O-CG 3.42Å; M187-E191 PolarHBondContact O-N 3.29Å; M187-E191 HydrophobicContact SD-CG 4.41Å; M187-M210 HydrophobicContact CE-CB 4.21Å; M187-M210 HydrophobicContact SD-CB 4Å; M187-M210 HydrophobicContact SD-CE 4.01Å; M187-D212 HydrophobicContact CB-CB 4.17Å; M187-D212 HydrophobicContact CE-CB 4.13Å; M187-D212 PolarHBondContact N-OD2 2.56Å
188K93.1Very high94.9Very high155 Ų15543 Ų4367%0.67422%0.218SC*.Hα-helixtrans-58.5-37.8178.6-69.2-177.2179.5-179.60112.9N186 A192N186-K188 PolarHBondContact O-N 2.67Å; N186-K188 WeakPolarHBondContact OD1-CB 3.31Å; N186-K188 PolarHBondContact OD1-N 3.45Å; K188-A192 WeakPolarHBondContact O-CB 3.45Å; K188-A192 PolarHBondContact O-N 3.05Å
189W88.4Confident94.9Very high99 Ų9943 Ų4338%0.37522%0.219SC..Hα-helixtrans-70.9-39.8177.6-76.5115.1000111.2L86 N186 M187 A192 K193L86-W189 VanDerWaalsContact O-CZ2 3.27Å; L86-W189 WeakPolarHBondContact O-CZ2 3.48Å; N186-W189 WeakPolarHBondContact O-CB 3.26Å; N186-W189 PolarHBondContact O-N 3.21Å; M187-W189 VanDerWaalsContact C-N 3.26Å; M187-W189 PolarHBondContact O-N 2.95Å; W189-A192 PolarHBondContact O-N 3.16Å; W189-K193 WeakPolarHBondContact O-CB 3.05Å; W189-K193 VanDerWaalsContact O-CG 3.3Å; W189-K193 WeakPolarHBondContact O-CG 3.48Å; W189-K193 PolarHBondContact O-N 3.32Å
190I94.3Very high94.7Very high2 Ų246.1 Ų46.11%0.0124%0.24CC..Hα-helixtrans-60.6-50.9175.5-51.6179.6000110I181 N186 M187 A192 K193 M194 M210 L211 D212I181-I190 HydrophobicContact CG2-CG2 3.86Å; N186-I190 PolarHBondContact O-N 3.35Å; M187-I190 WeakPolarHBondContact O-CB 3.35Å; M187-I190 PolarHBondContact O-N 3.09Å; M187-I190 VanDerWaalsContact O-N 3.1Å; M187-I190 HydrophobicContact SD-CB 4.43Å; M187-I190 HydrophobicContact SD-CD1 4.41Å; I190-A192 PolarHBondContact O-N 3.05Å; I190-K193 PolarHBondContact O-N 3.18Å; I190-M194 HydrophobicContact CG2-CG 4.06Å; I190-M194 WeakPolarHBondContact O-CB 3.17Å; I190-M194 VanDerWaalsContact O-CG 3.25Å; I190-M194 WeakPolarHBondContact O-CG 3.34Å; I190-M194 PolarHBondContact O-N 3.19Å; I190-M210 HydrophobicContact CG2-CB 4.29Å; I190-M210 HydrophobicContact CG2-CG 4.45Å; I190-M210 HydrophobicContact CG2-SD 3.77Å; I190-L211 WeakPolarHBondContact CD1-O 3.34Å; I190-D212 HydrophobicContact CD1-CB 3.71Å
191E96.1Very high94.5Very high92 Ų9251.3 Ų51.343%0.4327%0.272SS..Hα-helixtrans-57.9-47178.1-72173.8169.400112M187 K193 K195 M210M187-E191 HydrophobicContact CG-CG 4.27Å; M187-E191 WeakPolarHBondContact O-CG 3.42Å; M187-E191 PolarHBondContact O-N 3.29Å; M187-E191 HydrophobicContact SD-CG 4.41Å; E191-K193 PolarHBondContact O-N 3.02Å; E191-K195 VanDerWaalsContact O-CB 3.3Å; E191-K195 WeakPolarHBondContact O-CB 3.17Å; E191-K195 PolarHBondContact O-N 3.15Å; E191-M210 HydrophobicContact CG-CE 3.77Å
192A93.3Very high94.4Very high49 Ų4952.6 Ų52.641%0.40528%0.279SS..Hα-helixtrans-59.7-46.8177.900000111.5K188 W189 I190 K195 E196K188-A192 WeakPolarHBondContact O-CB 3.45Å; K188-A192 PolarHBondContact O-N 3.05Å; W189-A192 PolarHBondContact O-N 3.16Å; I190-A192 PolarHBondContact O-N 3.05Å; A192-K195 PolarHBondContact O-N 3.34Å; A192-E196 WeakPolarHBondContact O-CB 3.46Å; A192-E196 PolarHBondContact O-N 3.21Å
193K92.7Very high94.4Very high48 Ų4856.8 Ų56.821%0.20931%0.313CS..Hα-helixtrans-71.1-41.4-179-68.3-66.3168.6-165.20113F149 W189 I190 E191 K195 E196 L197F149-K193 HydrophobicContact CE2-CD 3.99Å; F149-K193 HydrophobicContact CZ-CD 3.78Å; F149-K193 HydrophobicContact CZ-CG 4.29Å; W189-K193 WeakPolarHBondContact O-CB 3.05Å; W189-K193 VanDerWaalsContact O-CG 3.3Å; W189-K193 WeakPolarHBondContact O-CG 3.48Å; W189-K193 PolarHBondContact O-N 3.32Å; I190-K193 PolarHBondContact O-N 3.18Å; E191-K193 PolarHBondContact O-N 3.02Å; K193-K195 PolarHBondContact O-N 3.27Å; K193-E196 WeakPolarHBondContact CD-OE2 3.39Å; K193-E196 IonicContact NZ-OE1 2.67Å; K193-E196 IonicContact NZ-OE2 2.74Å; K193-E196 PolarHBondContact NZ-OE2 3.25Å; K193-E196 PolarHBondContact O-N 3.17Å; K193-L197 WeakPolarHBondContact O-CB 3.45Å; K193-L197 VanDerWaalsContact O-CG 3.31Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.18Å
194M97.2Very high94.5Very high1 Ų161.7 Ų61.71%0.00534%0.34CS..Hα-helixtrans-64.6-27.8174.7-67.8-57.1100.300112V144 L148 I181 I190 L197 V199 S200 M210V144-M194 HydrophobicContact CB-CE 4.5Å; V144-M194 HydrophobicContact CG1-CE 3.55Å; V144-M194 HydrophobicContact CG2-CE 4.05Å; L148-M194 HydrophobicContact CD1-CE 4.47Å; I181-M194 HydrophobicContact CD1-SD 4.04Å; I181-M194 HydrophobicContact CG1-SD 3.84Å; I181-M194 HydrophobicContact CG2-SD 4.19Å; I190-M194 HydrophobicContact CG2-CG 4.06Å; I190-M194 WeakPolarHBondContact O-CB 3.17Å; I190-M194 VanDerWaalsContact O-CG 3.25Å; I190-M194 WeakPolarHBondContact O-CG 3.34Å; I190-M194 PolarHBondContact O-N 3.19Å; M194-L197 HydrophobicContact CE-CD1 4.19Å; M194-V199 HydrophobicContact CB-CB 4.39Å; M194-V199 WeakPolarHBondContact O-CA 3.48Å; M194-V199 PolarHBondContact O-N 2.81Å; M194-V199 HydrophobicContact SD-CB 3.81Å; M194-V199 HydrophobicContact SD-CG1 3.61Å; M194-V199 HydrophobicContact SD-CG2 4.24Å; M194-S200 PolarHBondContact O-N 3.4Å; M194-S200 PolarHBondContact O-OG 3.35Å; M194-S200 VanDerWaalsContact O-OG 3.12Å; M194-M210 HydrophobicContact CB-SD 4.46Å; M194-M210 HydrophobicContact CG-SD 3.94Å
195K95.3Very high94.8Very high153 Ų15359.5 Ų59.567%0.66532%0.321SS*.Hα-helixtrans-75.1-48.2171.1-174.6179.1179.2-178.60112.2E191 A192 K193 L197 G198 S200E191-K195 VanDerWaalsContact O-CB 3.3Å; E191-K195 WeakPolarHBondContact O-CB 3.17Å; E191-K195 PolarHBondContact O-N 3.15Å; A192-K195 PolarHBondContact O-N 3.34Å; K193-K195 PolarHBondContact O-N 3.27Å; K195-L197 VanDerWaalsContact C-N 3.32Å; K195-L197 PolarHBondContact O-N 2.94Å; K195-G198 PolarHBondContact O-N 3.18Å; K195-S200 VanDerWaalsContact CA-OG 3.28Å; K195-S200 WeakPolarHBondContact CA-OG 3.38Å; K195-S200 PolarHBondContact N-OG 2.96Å
196E93Very high95.3Very high90 Ų9062.6 Ų62.642%0.42133%0.333SS..Hα-helixtrans-59.2-42.1-179.8-172.8-176.8173.600112.1A192 K193 G198A192-E196 WeakPolarHBondContact O-CB 3.46Å; A192-E196 PolarHBondContact O-N 3.21Å; K193-E196 WeakPolarHBondContact CD-OE2 3.39Å; K193-E196 IonicContact NZ-OE1 2.67Å; K193-E196 IonicContact NZ-OE2 2.74Å; K193-E196 PolarHBondContact NZ-OE2 3.25Å; K193-E196 PolarHBondContact O-N 3.17Å; E196-G198 PolarHBondContact O-N 3.26Å
197L95.4Very high95.7Very high6 Ų659.3 Ų59.33%0.03132%0.315CS..THydrogen-bonded Turntrans-79.62.7176.8-61.2174.5000113.3F149 M162 L166 H167 K193 M194 K195 V199F149-L197 HydrophobicContact CB-CD1 3.89Å; F149-L197 HydrophobicContact CB-CD2 3.99Å; F149-L197 HydrophobicContact CD1-CD1 4.04Å; F149-L197 HydrophobicContact CD2-CD2 4.4Å; F149-L197 HydrophobicContact CG-CD1 3.9Å; F149-L197 HydrophobicContact CG-CD2 4.31Å; M162-L197 HydrophobicContact CB-CD2 3.97Å; M162-L197 HydrophobicContact CG-CD2 4.27Å; L166-L197 HydrophobicContact CD2-CB 4.47Å; H167-L197 PolarHBondContact CE1-O 2.76Å; H167-L197 PolarHBondContact NE2-O 3.28Å; K193-L197 WeakPolarHBondContact O-CB 3.45Å; K193-L197 VanDerWaalsContact O-CG 3.31Å; K193-L197 WeakPolarHBondContact O-CG 3.39Å; K193-L197 PolarHBondContact O-N 3.18Å; M194-L197 HydrophobicContact CE-CD1 4.19Å; K195-L197 VanDerWaalsContact C-N 3.32Å; K195-L197 PolarHBondContact O-N 2.94Å; L197-V199 HydrophobicContact CB-CG2 3.96Å; L197-V199 PolarHBondContact O-N 2.92Å; L197-V199 VanDerWaalsContact O-N 3.14Å
198G96.9Very high95.8Very high21 Ų2157.4 Ų57.422%0.21631%0.306CS..THydrogen-bonded Turntrans67.59.9-178.200000115.2K195 E196 N202K195-G198 PolarHBondContact O-N 3.18Å; E196-G198 PolarHBondContact O-N 3.26Å; G198-N202 PolarHBondContact O-N 3.14Å
199V98.1Very high96.1Very high2 Ų250 Ų501%0.01227%0.274CS..  trans-70.5-41.2-177.1174.90000112L166 L170 M194 L197 T201 Y205 I207L166-V199 HydrophobicContact CD2-CG2 3.86Å; L170-V199 HydrophobicContact CD1-CG1 4.01Å; L170-V199 HydrophobicContact CD1-CG2 4.08Å; M194-V199 HydrophobicContact CB-CB 4.39Å; M194-V199 WeakPolarHBondContact O-CA 3.48Å; M194-V199 PolarHBondContact O-N 2.81Å; M194-V199 HydrophobicContact SD-CB 3.81Å; M194-V199 HydrophobicContact SD-CG1 3.61Å; M194-V199 HydrophobicContact SD-CG2 4.24Å; L197-V199 HydrophobicContact CB-CG2 3.96Å; L197-V199 PolarHBondContact O-N 2.92Å; L197-V199 VanDerWaalsContact O-N 3.14Å; V199-T201 VanDerWaalsContact C-N 3.29Å; V199-T201 PolarHBondContact O-N 3.49Å; V199-Y205 HydrophobicContact CG1-CE2 4.13Å; V199-Y205 WeakPolarHBondContact O-CE2 3.48Å; V199-I207 HydrophobicContact CG1-CD1 3.91Å; V199-I207 HydrophobicContact CG1-CG1 4.01Å
200S95.6Very high96.6Very high65 Ų6546.2 Ų46.246%0.45526%0.261SS..THydrogen-bonded Turntrans-72.6-18.1-176.755.60000114.4M194 K195M194-S200 PolarHBondContact O-N 3.4Å; M194-S200 PolarHBondContact O-OG 3.35Å; M194-S200 VanDerWaalsContact O-OG 3.12Å; K195-S200 VanDerWaalsContact CA-OG 3.28Å; K195-S200 WeakPolarHBondContact CA-OG 3.38Å; K195-S200 PolarHBondContact N-OG 2.96Å
201T94Very high96.8Very high108 Ų10846.2 Ų46.266%0.66326%0.26SS*.THydrogen-bonded Turntrans-119.27.1-173.454.70000113.8V199V199-T201 VanDerWaalsContact C-N 3.29Å; V199-T201 PolarHBondContact O-N 3.49Å
202N97.8Very high96.9Very high28 Ų2842.6 Ų42.615%0.1524%0.244CC..  trans-66.2141.7-179-156.8-66.8000111.8H167 G198 N204 Y205 K206H167-N202 PolarHBondContact ND1-ND2 3.19Å; G198-N202 PolarHBondContact O-N 3.14Å; N202-N204 WeakPolarHBondContact OD1-CB 3.27Å; N202-N204 PolarHBondContact OD1-N 3.43Å; N202-Y205 HydrophobicContact CB-CD1 4.2Å; N202-Y205 HydrophobicContact CB-CD2 4.39Å; N202-Y205 HydrophobicContact CB-CE1 3.65Å; N202-Y205 HydrophobicContact CB-CE2 3.84Å; N202-Y205 VanDerWaalsContact CB-CZ 3.45Å; N202-K206 PolarHBondContact O-NZ 3.07Å; N202-K206 VanDerWaalsContact O-NZ 3.14Å
203A98Very high96.9Very high88 Ų8842.8 Ų42.873%0.72724%0.242SC*.SBendtrans-82.6-24.817900000113
204N98.6Very high97Very high105 Ų10543.1 Ų43.156%0.56125%0.254SS*.SBendtrans-85.7-14.6-170.3-61.2-27.6000113.8T171 N202T171-N204 HydrophobicContact CG2-CB 3.81Å; T171-N204 WeakPolarHBondContact OG1-CB 3.32Å; N202-N204 WeakPolarHBondContact OD1-CB 3.27Å; N202-N204 PolarHBondContact OD1-N 3.43Å
205Y98.8Very high97Very high3 Ų343 Ų431%0.01225%0.254CS..  trans-151.6170.3178.157.2-95.9000111.3H167 L170 T171 Y174 V199 N202 I207H167-Y205 HydrophobicContact CB-CE1 4.46Å; H167-Y205 PolarHBondContact CE1-OH 2.76Å; H167-Y205 AromaticContact ND1-CZ 3.88Å; H167-Y205 PolarHBondContact ND1-OH 2.88Å; L170-Y205 HydrophobicContact CB-CD1 3.79Å; L170-Y205 HydrophobicContact CB-CD2 4.11Å; L170-Y205 HydrophobicContact CB-CE1 3.59Å; L170-Y205 HydrophobicContact CB-CE2 3.94Å; L170-Y205 HydrophobicContact CB-CG 4.03Å; L170-Y205 HydrophobicContact CD1-CE1 4.31Å; L170-Y205 HydrophobicContact CD1-CE2 3.74Å; L170-Y205 WeakPolarHBondContact CD1-OH 3.22Å; L170-Y205 HydrophobicContact CG-CE2 4.46Å; T171-Y205 WeakPolarHBondContact OG1-CD1 3.19Å; Y174-Y205 VanDerWaalsContact CB-CB 3.5Å; V199-Y205 HydrophobicContact CG1-CE2 4.13Å; V199-Y205 WeakPolarHBondContact O-CE2 3.48Å; N202-Y205 HydrophobicContact CB-CD1 4.2Å; N202-Y205 HydrophobicContact CB-CD2 4.39Å; N202-Y205 HydrophobicContact CB-CE1 3.65Å; N202-Y205 HydrophobicContact CB-CE2 3.84Å; N202-Y205 VanDerWaalsContact CB-CZ 3.45Å; Y205-I207 HydrophobicContact CD2-CD1 4.43Å; Y205-I207 HydrophobicContact CE2-CD1 4.43Å
206K98.7Very high97.1Very high80 Ų8036.4 Ų36.435%0.34823%0.225SC..  trans-134.4142.6177.2-59.4-64.6168.2-154.70111N131 Y174 N202N131-K206 HydrophobicContact CB-CB 4.09Å; Y174-K206 WeakPolarHBondContact CD2-O 3.23Å; Y174-K206 HydrophobicContact CE2-CB 3.88Å; Y174-K206 VanDerWaalsContact CE2-O 3.28Å; Y174-K206 WeakPolarHBondContact CE2-O 3.29Å; N202-K206 PolarHBondContact O-NZ 3.07Å; N202-K206 VanDerWaalsContact O-NZ 3.14Å
207I98.8Very high97.1Very high8 Ų832.1 Ų32.14%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-90.4127.7171.1-54.8-55.2000107.9L130 N131 I179 I181 V199 Y205 M210L130-I207 HydrophobicContact CD1-CG2 4.46Å; N131-I207 PolarHBondContact ND2-O 3.43Å; I179-I207 HydrophobicContact CB-CD1 4.07Å; I179-I207 HydrophobicContact CG2-CD1 3.67Å; I181-I207 HydrophobicContact CD1-CD1 4.38Å; I181-I207 HydrophobicContact CG1-CD1 4.34Å; I181-I207 HydrophobicContact CG1-CG2 4Å; V199-I207 HydrophobicContact CG1-CD1 3.91Å; V199-I207 HydrophobicContact CG1-CG1 4.01Å; Y205-I207 HydrophobicContact CD2-CD1 4.43Å; Y205-I207 HydrophobicContact CE2-CD1 4.43Å; I207-M210 HydrophobicContact CG2-CG 4.09Å
208T98.8Very high96.9Very high2 Ų234.6 Ų34.61%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-70-52.9-177-50.30000110.5L130 N131 P133 D178 I179L130-T208 PolarHBondContact N-O 3.34Å; N131-T208 PolarHBondContact N-O 3.11Å; N131-T208 VanDerWaalsContact N-O 3.08Å; N131-T208 WeakPolarHBondContact O-CA 3.05Å; N131-T208 WeakPolarHBondContact O-CG2 3.44Å; N131-T208 VanDerWaalsContact O-O 3.13Å; P133-T208 HydrophobicContact CG-CG2 4.11Å; D178-T208 WeakPolarHBondContact CB-OG1 3.27Å; I179-T208 PolarHBondContact O-N 3.26Å; I179-T208 PolarHBondContact O-OG1 3.35Å
209F98.8Very high96.4Very high0 Ų033.6 Ų33.60%021%0.21CC..EExtended strand (participates in β ladder)trans-161.1171.3173.250.7-97.4000110V127 E128 V180 I181 L211 I235 F239V127-F209 HydrophobicContact CG1-CB 3.53Å; V127-F209 HydrophobicContact CG1-CD1 4.01Å; V127-F209 HydrophobicContact CG1-CD2 3.57Å; V127-F209 HydrophobicContact CG1-CE2 4.26Å; V127-F209 HydrophobicContact CG1-CG 3.43Å; V127-F209 VanDerWaalsContact CG1-CG 3.43Å; E128-F209 WeakPolarHBondContact O-CB 3.38Å; V180-F209 WeakPolarHBondContact CA-O 3.15Å; V180-F209 HydrophobicContact CB-CD2 4.43Å; V180-F209 HydrophobicContact CB-CE2 4.13Å; V180-F209 HydrophobicContact CG1-CD2 3.77Å; V180-F209 HydrophobicContact CG1-CE2 3.53Å; V180-F209 HydrophobicContact CG1-CZ 4.36Å; V180-F209 HydrophobicContact CG2-CD1 4.23Å; V180-F209 HydrophobicContact CG2-CD2 3.81Å; V180-F209 HydrophobicContact CG2-CE1 3.85Å; V180-F209 HydrophobicContact CG2-CE2 3.4Å; V180-F209 HydrophobicContact CG2-CG 4.2Å; V180-F209 HydrophobicContact CG2-CZ 3.4Å; V180-F209 VanDerWaalsContact CG2-CZ 3.4Å; I181-F209 PolarHBondContact N-O 3.45Å; F209-L211 HydrophobicContact CD2-CD2 4.19Å; F209-L211 HydrophobicContact CD2-CG 4.18Å; F209-L211 HydrophobicContact CE2-CD1 4.3Å; F209-L211 HydrophobicContact CE2-CD2 4.36Å; F209-L211 HydrophobicContact CE2-CG 4.22Å; F209-I235 HydrophobicContact CE2-CD1 4.49Å; F209-I235 HydrophobicContact CE2-CG1 4.31Å; F209-I235 HydrophobicContact CZ-CG2 4Å; F209-F239 HydrophobicContact CD1-CE2 4.15Å; F209-F239 AromaticContact CD1-CZ 3.96Å; F209-F239 HydrophobicContact CD1-CZ 3.96Å; F209-F239 AromaticContact CE1-CD2 3.91Å; F209-F239 HydrophobicContact CE1-CD2 3.91Å; F209-F239 HydrophobicContact CE1-CE1 4.2Å; F209-F239 AromaticContact CE1-CE2 3.47Å; F209-F239 HydrophobicContact CE1-CE2 3.47Å; F209-F239 VanDerWaalsContact CE1-CE2 3.47Å; F209-F239 HydrophobicContact CE1-CG 4.44Å; F209-F239 AromaticContact CE1-CZ 3.63Å; F209-F239 HydrophobicContact CE1-CZ 3.63Å; F209-F239 HydrophobicContact CE2-CE2 4.16Å; F209-F239 AromaticContact CZ-CD2 3.79Å; F209-F239 HydrophobicContact CZ-CD2 3.79Å; F209-F239 AromaticContact CZ-CE2 3.47Å; F209-F239 HydrophobicContact CZ-CE2 3.47Å; F209-F239 VanDerWaalsContact CZ-CE2 3.47Å; F209-F239 HydrophobicContact CZ-CZ 4.12Å
210M98.8Very high95.8Very high20 Ų2037.8 Ų37.810%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-121.8148.8177.4-54.8-177.5-6400109.6L130 I181 M187 I190 E191 M194 I207L130-M210 HydrophobicContact CD1-CE 4.08Å; L130-M210 HydrophobicContact CD1-CG 4.22Å; L130-M210 HydrophobicContact CD1-SD 4.42Å; I181-M210 HydrophobicContact CB-CB 4.45Å; I181-M210 HydrophobicContact CB-CG 4.07Å; I181-M210 HydrophobicContact CG1-CG 4.47Å; I181-M210 CarbonylContact O-C 3.52Å; I181-M210 VanDerWaalsContact O-CA 3.27Å; I181-M210 WeakPolarHBondContact O-CA 3.45Å; M187-M210 HydrophobicContact CE-CB 4.21Å; M187-M210 HydrophobicContact SD-CB 4Å; M187-M210 HydrophobicContact SD-CE 4.01Å; I190-M210 HydrophobicContact CG2-CB 4.29Å; I190-M210 HydrophobicContact CG2-CG 4.45Å; I190-M210 HydrophobicContact CG2-SD 3.77Å; E191-M210 HydrophobicContact CG-CE 3.77Å; M194-M210 HydrophobicContact CB-SD 4.46Å; M194-M210 HydrophobicContact CG-SD 3.94Å; I207-M210 HydrophobicContact CG2-CG 4.09Å
211L98.8Very high95.1Very high1 Ų134.7 Ų34.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-126.5140.1176.3-61179.7000109.4Y125 V127 V180 I181 W182 S183 I190 F209 A215 I235Y125-L211 HydrophobicContact CD1-CD2 4.23Å; Y125-L211 HydrophobicContact CE1-CD2 3.48Å; Y125-L211 VanDerWaalsContact CE1-CD2 3.48Å; V127-L211 HydrophobicContact CG1-CD2 4.48Å; V127-L211 HydrophobicContact CG2-CD2 3.93Å; V180-L211 HydrophobicContact CG1-CD1 4.44Å; V180-L211 HydrophobicContact CG1-CG 4.41Å; I181-L211 PolarHBondContact O-N 3.43Å; W182-L211 WeakPolarHBondContact CA-O 3.47Å; W182-L211 HydrophobicContact CB-CB 4.12Å; W182-L211 VanDerWaalsContact CD1-CB 3.5Å; W182-L211 HydrophobicContact CD2-CB 3.85Å; W182-L211 HydrophobicContact CD2-CD1 3.66Å; W182-L211 HydrophobicContact CD2-CG 4.41Å; W182-L211 HydrophobicContact CE3-CD1 3.62Å; W182-L211 HydrophobicContact CG-CB 3.59Å; W182-L211 HydrophobicContact CG-CD1 4.2Å; W182-L211 HydrophobicContact CG-CG 4.49Å; W182-L211 HydrophobicContact CH2-CD1 4.16Å; W182-L211 HydrophobicContact CZ2-CD1 4.2Å; W182-L211 HydrophobicContact CZ3-CD1 3.89Å; S183-L211 PolarHBondContact N-O 3.03Å; S183-L211 VanDerWaalsContact N-O 3.11Å; I190-L211 WeakPolarHBondContact CD1-O 3.34Å; F209-L211 HydrophobicContact CD2-CD2 4.19Å; F209-L211 HydrophobicContact CD2-CG 4.18Å; F209-L211 HydrophobicContact CE2-CD1 4.3Å; F209-L211 HydrophobicContact CE2-CD2 4.36Å; F209-L211 HydrophobicContact CE2-CG 4.22Å; L211-A215 HydrophobicContact CB-CB 4.11Å; L211-A215 HydrophobicContact CD2-CB 4.3Å; L211-I235 HydrophobicContact CD1-CD1 3.79Å; L211-I235 HydrophobicContact CD1-CG1 3.68Å
212D97.1Very high94.2Very high17 Ų1733.7 Ų33.79%0.09120%0.203CC..  trans-113.2-173.9-178.973.4-16.4000111.5Y125 W182 S183 T185 M187 I190 A214 A215Y125-D212 VanDerWaalsContact CE2-OD1 3.3Å; Y125-D212 WeakPolarHBondContact CE2-OD1 3.35Å; Y125-D212 PolarHBondContact OH-N 2.87Å; Y125-D212 PolarHBondContact OH-OD1 3.12Å; W182-D212 PolarHBondContact NE1-O 3.14Å; S183-D212 CarbonylContact O-C 3.58Å; S183-D212 VanDerWaalsContact O-C 3.31Å; S183-D212 WeakPolarHBondContact O-CA 3.45Å; T185-D212 VanDerWaalsContact O-CB 3.3Å; T185-D212 WeakPolarHBondContact O-CB 3.15Å; M187-D212 HydrophobicContact CB-CB 4.17Å; M187-D212 HydrophobicContact CE-CB 4.13Å; M187-D212 PolarHBondContact N-OD2 2.56Å; I190-D212 HydrophobicContact CD1-CB 3.71Å; D212-A214 PolarHBondContact O-N 2.83Å; D212-A214 VanDerWaalsContact O-N 3.16Å; D212-A214 PolarHBondContact OD1-N 2.9Å; D212-A215 WeakPolarHBondContact O-CB 3.49Å; D212-A215 PolarHBondContact O-N 3.15Å
213S94.9Very high93Very high52 Ų5239.4 Ų39.436%0.36422%0.223SC..G310 helixtrans-59-25.6179.4620000113.6S183 A184 T185 A215 M216S183-S213 PolarHBondContact O-N 3.29Å; A184-S213 WeakPolarHBondContact O-CB 3.43Å; T185-S213 PolarHBondContact O-N 2.74Å; T185-S213 PolarHBondContact O-OG 2.85Å; S213-A215 PolarHBondContact O-N 2.78Å; S213-M216 VanDerWaalsContact O-CB 3.26Å; S213-M216 WeakPolarHBondContact O-CB 3.14Å; S213-M216 PolarHBondContact O-N 3.07Å
214A94.7Very high91.6Very high55 Ų5538.5 Ų38.546%0.45520%0.201SC..G310 helixtrans-70.4-18.1177.900000113.2R121 Y125 D212 M216R121-A214 WeakPolarHBondContact CD-O 3.48Å; R121-A214 PolarHBondContact NE-O 2.77Å; Y125-A214 HydrophobicContact CD2-CB 4.32Å; Y125-A214 HydrophobicContact CE2-CB 3.87Å; D212-A214 PolarHBondContact O-N 2.83Å; D212-A214 VanDerWaalsContact O-N 3.16Å; D212-A214 PolarHBondContact OD1-N 2.9Å; A214-M216 VanDerWaalsContact C-N 3.34Å
215A97.1Very high90.9Very high0 Ų034.8 Ų34.80%019%0.187CC..G310 helixtrans-79.8-1617100000113Y125 W182 L211 D212 S213Y125-A215 HydrophobicContact CD1-CB 4.29Å; Y125-A215 HydrophobicContact CD2-CB 4.08Å; Y125-A215 HydrophobicContact CE1-CB 4.04Å; Y125-A215 HydrophobicContact CE2-CB 3.8Å; Y125-A215 HydrophobicContact CG-CB 4.3Å; W182-A215 HydrophobicContact CZ2-CB 3.75Å; L211-A215 HydrophobicContact CB-CB 4.11Å; L211-A215 HydrophobicContact CD2-CB 4.3Å; D212-A215 WeakPolarHBondContact O-CB 3.49Å; D212-A215 PolarHBondContact O-N 3.15Å; S213-A215 PolarHBondContact O-N 2.78Å
216M97.1Very high90.1Very high13 Ų1340.8 Ų40.86%0.06422%0.218CC..  trans-73.4165179.9-63.1177.771.500112.1R121 W182 A184 S213 A214 D228 V229 K230R121-M216 PolarHBondContact NE-O 2.98Å; R121-M216 PolarHBondContact NH2-O 2.8Å; W182-M216 HydrophobicContact CZ2-CG 4.41Å; A184-M216 HydrophobicContact CB-CE 4.19Å; A184-M216 HydrophobicContact CB-SD 3.66Å; S213-M216 VanDerWaalsContact O-CB 3.26Å; S213-M216 WeakPolarHBondContact O-CB 3.14Å; S213-M216 PolarHBondContact O-N 3.07Å; A214-M216 VanDerWaalsContact C-N 3.34Å; M216-D228 HydrophobicContact CE-CB 3.77Å; M216-V229 WeakPolarHBondContact CA-O 3.47Å; M216-V229 WeakPolarHBondContact CB-O 3.42Å; M216-V229 WeakPolarHBondContact CG-O 3.41Å; M216-K230 HydrophobicContact CE-CG 3.91Å; M216-K230 HydrophobicContact CG-CG 4.02Å; M216-K230 HydrophobicContact SD-CG 4.15Å
217I92.1Very high89.5Confident1 Ų137.9 Ų37.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-129149172.368.8176.2000110K117 I118 R121 V219 D228 V229 P231 M260K117-I217 HydrophobicContact CB-CB 4.19Å; K117-I217 HydrophobicContact CB-CD1 4.23Å; K117-I217 HydrophobicContact CB-CG2 3.91Å; K117-I217 HydrophobicContact CD-CB 4.45Å; I118-I217 HydrophobicContact CD1-CD1 4.37Å; I118-I217 HydrophobicContact CG1-CD1 3.82Å; R121-I217 HydrophobicContact CG-CG2 3.77Å; I217-V219 HydrophobicContact CD1-CG1 3.93Å; I217-V219 HydrophobicContact CG1-CG1 4.01Å; I217-D228 WeakPolarHBondContact O-CA 3.35Å; I217-V229 HydrophobicContact CD1-CG2 4.26Å; I217-V229 HydrophobicContact CG1-CG2 3.61Å; I217-V229 PolarHBondContact N-O 2.76Å; I217-V229 VanDerWaalsContact N-O 3.17Å; I217-V229 PolarHBondContact O-N 2.64Å; I217-P231 HydrophobicContact CD1-CB 4.14Å; I217-P231 HydrophobicContact CD1-CG 4.01Å; I217-P231 HydrophobicContact CG1-CB 4.42Å; I217-P231 HydrophobicContact CG1-CG 3.88Å; I217-P231 HydrophobicContact CG2-CG 4.08Å; I217-M260 HydrophobicContact CD1-CG 4.44Å
218T90.8Very high89Confident58 Ų5841.5 Ų41.536%0.35623%0.226SC..EExtended strand (participates in β ladder)trans-90.3129.4170.4-40.60000109.7K117 L226 I227 D228K117-T218 WeakPolarHBondContact CD-O 3.47Å; K117-T218 WeakPolarHBondContact CE-O 3.46Å; K117-T218 PolarHBondContact NZ-O 2.67Å; T218-L226 HydrophobicContact CG2-CB 3.88Å; T218-L226 HydrophobicContact CG2-CD2 4.19Å; T218-L226 HydrophobicContact CG2-CG 4.48Å; T218-I227 CarbonylContact C-O 3.53Å; T218-I227 WeakPolarHBondContact CA-O 2.99Å; T218-D228 VanDerWaalsContact CA-OD1 3.29Å; T218-D228 WeakPolarHBondContact CA-OD1 3.29Å; T218-D228 VanDerWaalsContact CB-OD1 3.23Å; T218-D228 WeakPolarHBondContact CB-OD1 3.44Å; T218-D228 WeakPolarHBondContact CG2-OD1 3.32Å; T218-D228 PolarHBondContact OG1-OD1 3.08Å
219V87.8Confident88.8Confident0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-120.6152.2175.9-56.30000110.1V108 N114 I217 L226 I227 V229 M260V108-V219 HydrophobicContact CG1-CB 3.83Å; V108-V219 HydrophobicContact CG1-CG1 4.25Å; V108-V219 HydrophobicContact CG1-CG2 3.86Å; N114-V219 HydrophobicContact CB-CG1 4.44Å; I217-V219 HydrophobicContact CD1-CG1 3.93Å; I217-V219 HydrophobicContact CG1-CG1 4.01Å; V219-L226 WeakPolarHBondContact O-CA 3.33Å; V219-I227 HydrophobicContact CG2-CD1 4.08Å; V219-I227 HydrophobicContact CG2-CG1 3.56Å; V219-I227 PolarHBondContact N-O 2.92Å; V219-I227 PolarHBondContact O-N 2.58Å; V219-V229 HydrophobicContact CG1-CG2 3.91Å; V219-V229 HydrophobicContact CG2-CG1 3.82Å; V219-V229 HydrophobicContact CG2-CG2 4.33Å; V219-M260 HydrophobicContact CG1-CG 4.3Å; V219-M260 HydrophobicContact CG1-SD 4.04Å
220H85.9Confident88.8Confident89 Ų8941.4 Ų41.441%0.41223%0.225SC..EExtended strand (participates in β ladder)trans-99.3122176.2179.8-85.3000110.5R111 G225 L226R111-H220 PolarHBondContact NH1-O 3.5Å; H220-G225 CarbonylContact C-O 3.57Å; H220-G225 WeakPolarHBondContact CA-O 3.43Å; H220-L226 HydrophobicContact CB-CD2 3.95Å
221T80.3Confident88.7Confident0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans-109.2144.1169.285.20000110.8V108 R223 R224 G225 I227 L259V108-T221 HydrophobicContact CG2-CG2 4.26Å; T221-R223 VanDerWaalsContact C-N 3.32Å; T221-R223 PolarHBondContact O-N 3.4Å; T221-R224 WeakPolarHBondContact OG1-CB 3.29Å; T221-R224 PolarHBondContact OG1-N 3.27Å; T221-R224 VanDerWaalsContact OG1-N 3.14Å; T221-G225 PolarHBondContact N-O 2.74Å; T221-G225 WeakPolarHBondContact O-CA 3.42Å; T221-G225 PolarHBondContact O-N 3.48Å; T221-I227 HydrophobicContact CG2-CD1 3.45Å; T221-I227 VanDerWaalsContact CG2-CD1 3.45Å; T221-I227 HydrophobicContact CG2-CG1 3.99Å; T221-L259 HydrophobicContact CG2-CD2 3.71Å
222P74.8Confident88.7Confident87 Ų8740.4 Ų40.457%0.56522%0.22SC*.THydrogen-bonded Turntrans-58.4-37.2-178.4-26.836000114.7
223R73.4Confident88.8Confident148 Ų14840.4 Ų40.456%0.55822%0.224SC*.THydrogen-bonded Turntrans-89.7-34.2-177.5-60.4-177.8175.6-169.76.8114.1D100 E104 T221D100-R223 IonicContact OD1-NH1 3.05Å; D100-R223 PolarHBondContact OD1-NH1 3.03Å; D100-R223 IonicContact OD2-NH1 2.77Å; E104-R223 WeakPolarHBondContact OE1-CB 3.33Å; E104-R223 VanDerWaalsContact OE1-CD 3.29Å; E104-R223 WeakPolarHBondContact OE1-CD 3.23Å; E104-R223 WeakPolarHBondContact OE1-CG 3.5Å; T221-R223 VanDerWaalsContact C-N 3.32Å; T221-R223 PolarHBondContact O-N 3.4Å
224R68.7Low89Confident70 Ų7038 Ų3826%0.26421%0.207SC..THydrogen-bonded Turntrans-106.5-4-171.4-55.6-178.7175.3-166.4-7113.3N97 D98 T221 I227N97-R224 PolarHBondContact O-NH2 3.21Å; D98-R224 IonicContact OD1-CZ 2.67Å; D98-R224 IonicContact OD1-NH1 3.56Å; D98-R224 PolarHBondContact OD1-NH1 3.11Å; D98-R224 IonicContact OD1-NH2 2.98Å; D98-R224 PolarHBondContact OD1-NH2 2.8Å; T221-R224 WeakPolarHBondContact OG1-CB 3.29Å; T221-R224 PolarHBondContact OG1-N 3.27Å; T221-R224 VanDerWaalsContact OG1-N 3.14Å; R224-I227 HydrophobicContact CB-CG2 3.97Å
225G82.4Confident89.2Confident26 Ų2635.5 Ų35.527%0.26819%0.186SC..EExtended strand (participates in β ladder)trans70.8-138.3-178.400000111.7H220 T221H220-G225 CarbonylContact C-O 3.57Å; H220-G225 WeakPolarHBondContact CA-O 3.43Å; T221-G225 PolarHBondContact N-O 2.74Å; T221-G225 WeakPolarHBondContact O-CA 3.42Å; T221-G225 PolarHBondContact O-N 3.48Å
226L83.5Confident89.2Confident129 Ų12938 Ų3868%0.67520%0.196SC*.EExtended strand (participates in β ladder)trans-81123.7179.2-66.5176.4000110.6T218 V219 H220T218-L226 HydrophobicContact CG2-CB 3.88Å; T218-L226 HydrophobicContact CG2-CD2 4.19Å; T218-L226 HydrophobicContact CG2-CG 4.48Å; V219-L226 WeakPolarHBondContact O-CA 3.33Å; H220-L226 HydrophobicContact CB-CD2 3.95Å
227I85.8Confident89.3Confident20 Ų2039.2 Ų39.210%0.10321%0.212CC..EExtended strand (participates in β ladder)trans-131145177.563.8175000110.4T218 V219 T221 R224 V229 R256 L259T218-I227 CarbonylContact C-O 3.53Å; T218-I227 WeakPolarHBondContact CA-O 2.99Å; V219-I227 HydrophobicContact CG2-CD1 4.08Å; V219-I227 HydrophobicContact CG2-CG1 3.56Å; V219-I227 PolarHBondContact N-O 2.92Å; V219-I227 PolarHBondContact O-N 2.58Å; T221-I227 HydrophobicContact CG2-CD1 3.45Å; T221-I227 VanDerWaalsContact CG2-CD1 3.45Å; T221-I227 HydrophobicContact CG2-CG1 3.99Å; R224-I227 HydrophobicContact CB-CG2 3.97Å; I227-V229 HydrophobicContact CD1-CG1 4.26Å; I227-V229 HydrophobicContact CG1-CG1 4.23Å; I227-R256 HydrophobicContact CD1-CB 4.49Å; I227-L259 HydrophobicContact CD1-CD2 3.63Å
228D87.9Confident89.6Confident84 Ų8442.1 Ų42.145%0.44923%0.225SC..EExtended strand (participates in β ladder)trans-90.2139.3172.9-68.3-41.6000111.2M216 I217 T218M216-D228 HydrophobicContact CE-CB 3.77Å; I217-D228 WeakPolarHBondContact O-CA 3.35Å; T218-D228 VanDerWaalsContact CA-OD1 3.29Å; T218-D228 WeakPolarHBondContact CA-OD1 3.29Å; T218-D228 VanDerWaalsContact CB-OD1 3.23Å; T218-D228 WeakPolarHBondContact CB-OD1 3.44Å; T218-D228 WeakPolarHBondContact CG2-OD1 3.32Å; T218-D228 PolarHBondContact OG1-OD1 3.08Å
229V94.8Very high89.9Confident0 Ų040.2 Ų40.20%021%0.212CC..EExtended strand (participates in β ladder)trans-134.7160.5-177.1-54.90000111M216 I217 V219 I227 P231 R256 L259 M260M216-V229 WeakPolarHBondContact CA-O 3.47Å; M216-V229 WeakPolarHBondContact CB-O 3.42Å; M216-V229 WeakPolarHBondContact CG-O 3.41Å; I217-V229 HydrophobicContact CD1-CG2 4.26Å; I217-V229 HydrophobicContact CG1-CG2 3.61Å; I217-V229 PolarHBondContact N-O 2.76Å; I217-V229 VanDerWaalsContact N-O 3.17Å; I217-V229 PolarHBondContact O-N 2.64Å; V219-V229 HydrophobicContact CG1-CG2 3.91Å; V219-V229 HydrophobicContact CG2-CG1 3.82Å; V219-V229 HydrophobicContact CG2-CG2 4.33Å; I227-V229 HydrophobicContact CD1-CG1 4.26Å; I227-V229 HydrophobicContact CG1-CG1 4.23Å; V229-P231 WeakPolarHBondContact O-CD 3.47Å; V229-R256 WeakPolarHBondContact CG1-O 3.46Å; V229-L259 HydrophobicContact CG1-CB 4.18Å; V229-M260 HydrophobicContact CG2-CG 3.65Å
230K98.2Very high90.4Very high0 Ų044.8 Ų44.80%024%0.243CC..  trans-103.483.7177.7-62.1178.5-173.8170.10109.7D143 W182 M216 L232 M250 D252 N257 N261D143-K230 VanDerWaalsContact CG-NZ 3.33Å; D143-K230 IonicContact OD1-NZ 3.62Å; D143-K230 PolarHBondContact OD1-NZ 3.08Å; W182-K230 HydrophobicContact CB-CD 4.37Å; W182-K230 HydrophobicContact CD2-CB 3.84Å; W182-K230 HydrophobicContact CD2-CD 4.12Å; W182-K230 HydrophobicContact CD2-CG 4.04Å; W182-K230 HydrophobicContact CE3-CB 3.93Å; W182-K230 HydrophobicContact CG-CD 3.9Å; W182-K230 HydrophobicContact CG-CG 4.25Å; W182-K230 HydrophobicContact CH2-CB 4.04Å; W182-K230 HydrophobicContact CZ2-CB 3.93Å; W182-K230 HydrophobicContact CZ2-CG 4.38Å; W182-K230 HydrophobicContact CZ3-CB 4.03Å; W182-K230 WeakPolarHBondContact O-CE 3.21Å; W182-K230 PolarHBondContact O-NZ 3.24Å; M216-K230 HydrophobicContact CE-CG 3.91Å; M216-K230 HydrophobicContact CG-CG 4.02Å; M216-K230 HydrophobicContact SD-CG 4.15Å; K230-L232 PolarHBondContact O-N 3.27Å; K230-L232 VanDerWaalsContact O-N 3.15Å; K230-M250 HydrophobicContact CB-CE 3.91Å; K230-M250 HydrophobicContact CB-SD 4.47Å; K230-M250 HydrophobicContact CD-CE 3.53Å; K230-M250 HydrophobicContact CG-CE 4.3Å; K230-D252 IonicContact NZ-OD2 3.15Å; K230-D252 PolarHBondContact NZ-OD2 2.8Å; K230-N257 WeakPolarHBondContact CA-O 2.92Å; K230-N257 HydrophobicContact CD-CB 4.17Å; K230-N257 HydrophobicContact CG-CB 4.31Å; K230-N257 PolarHBondContact N-O 3.35Å; K230-N261 PolarHBondContact O-OD1 3.39Å
231P97.6Very high91Very high0 Ų047.7 Ų47.70%026%0.257CS..  trans-73.8107.1-174.430.4-37.3000111.5I118 W182 I217 V229 G233 V234 M260I118-P231 HydrophobicContact CD1-CB 3.75Å; I118-P231 HydrophobicContact CG1-CB 3.78Å; I118-P231 HydrophobicContact CG1-CG 4.16Å; W182-P231 HydrophobicContact CH2-CG 4.29Å; W182-P231 WeakPolarHBondContact CH2-O 2.96Å; I217-P231 HydrophobicContact CD1-CB 4.14Å; I217-P231 HydrophobicContact CD1-CG 4.01Å; I217-P231 HydrophobicContact CG1-CB 4.42Å; I217-P231 HydrophobicContact CG1-CG 3.88Å; I217-P231 HydrophobicContact CG2-CG 4.08Å; V229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-G233 PolarHBondContact O-N 3.3Å; P231-V234 HydrophobicContact CB-CG2 4.46Å; P231-V234 HydrophobicContact CG-CG2 3.72Å; P231-V234 WeakPolarHBondContact O-CB 3.18Å; P231-V234 PolarHBondContact O-N 2.92Å; P231-M260 HydrophobicContact CB-CB 4.36Å
232L98.6Very high91.8Very high0 Ų051.4 Ų51.40%027%0.272CS..THydrogen-bonded Turntrans-56.4-22.1176.1-68177.6000113.2V141 W182 K230 V234 I235 W236 T248 M250 N261 N264V141-L232 HydrophobicContact CB-CD2 4.18Å; V141-L232 HydrophobicContact CG1-CD2 4.31Å; V141-L232 HydrophobicContact CG2-CD2 3.68Å; W182-L232 HydrophobicContact CZ3-CD2 4.3Å; K230-L232 PolarHBondContact O-N 3.27Å; K230-L232 VanDerWaalsContact O-N 3.15Å; L232-V234 PolarHBondContact O-N 2.96Å; L232-V234 VanDerWaalsContact O-N 3.11Å; L232-I235 HydrophobicContact CD2-CD1 4.09Å; L232-I235 WeakPolarHBondContact O-CB 3.3Å; L232-I235 PolarHBondContact O-N 2.91Å; L232-W236 HydrophobicContact CB-CD2 4.2Å; L232-W236 HydrophobicContact CB-CE3 4.48Å; L232-W236 HydrophobicContact CB-CH2 3.77Å; L232-W236 HydrophobicContact CB-CZ2 3.42Å; L232-W236 VanDerWaalsContact CB-CZ2 3.42Å; L232-W236 HydrophobicContact CB-CZ3 4.28Å; L232-W236 HydrophobicContact CD1-CH2 4.33Å; L232-W236 HydrophobicContact CD1-CZ2 3.77Å; L232-W236 HydrophobicContact CG-CZ2 4.26Å; L232-W236 PolarHBondContact O-N 3.43Å; L232-T248 HydrophobicContact CD1-CG2 3.83Å; L232-T248 HydrophobicContact CD2-CG2 4.24Å; L232-M250 HydrophobicContact CD1-CB 4.19Å; L232-M250 HydrophobicContact CD2-CB 4.4Å; L232-M250 HydrophobicContact CD2-SD 4.09Å; L232-M250 HydrophobicContact CG-SD 4.33Å; L232-N261 HydrophobicContact CB-CB 4.22Å; L232-N261 HydrophobicContact CD1-CB 4.07Å; L232-N261 VanDerWaalsContact CD1-ND2 3.33Å; L232-N261 WeakPolarHBondContact CD1-ND2 3.08Å; L232-N261 HydrophobicContact CG-CB 4.32Å; L232-N261 WeakPolarHBondContact CG-ND2 3.3Å; L232-N261 PolarHBondContact N-OD1 3.2Å; L232-N264 HydrophobicContact CD1-CB 3.54Å
233G98.3Very high92.9Very high17 Ų1747.3 Ų47.318%0.17525%0.245CC..Hα-helixtrans-54.7-24.217000000114.5P231 G237P231-G233 PolarHBondContact O-N 3.3Å; G233-G237 PolarHBondContact O-N 3.23Å
234V98.6Very high94.1Very high1 Ų142.4 Ų42.41%0.00623%0.233CC..Hα-helixtrans-67-42.2172.2174.30000111.2I118 R121 W182 P231 L232 K238I118-V234 HydrophobicContact CG2-CG2 4.1Å; R121-V234 HydrophobicContact CB-CG1 4.26Å; R121-V234 HydrophobicContact CB-CG2 3.61Å; R121-V234 HydrophobicContact CG-CG2 4.35Å; W182-V234 HydrophobicContact CH2-CB 4.45Å; P231-V234 HydrophobicContact CB-CG2 4.46Å; P231-V234 HydrophobicContact CG-CG2 3.72Å; P231-V234 WeakPolarHBondContact O-CB 3.18Å; P231-V234 PolarHBondContact O-N 2.92Å; L232-V234 PolarHBondContact O-N 2.96Å; L232-V234 VanDerWaalsContact O-N 3.11Å; V234-K238 HydrophobicContact CG1-CD 4.47Å; V234-K238 WeakPolarHBondContact O-CG 3.41Å; V234-K238 PolarHBondContact O-N 2.88Å
235I98.8Very high95.5Very high2 Ų244.3 Ų44.31%0.0124%0.243CC..Hα-helixtrans-69.6-49.6176.6-61.6170.5000109.6L139 V141 V180 W182 F209 L211 L232 G237 K238 F239 Y243L139-I235 HydrophobicContact CD2-CD1 4.4Å; L139-I235 HydrophobicContact CD2-CG2 3.62Å; V141-I235 HydrophobicContact CG2-CD1 3.8Å; V180-I235 HydrophobicContact CG1-CD1 4.26Å; W182-I235 HydrophobicContact CE3-CD1 4.08Å; W182-I235 HydrophobicContact CZ3-CD1 4.03Å; W182-I235 HydrophobicContact CZ3-CG1 4.36Å; F209-I235 HydrophobicContact CE2-CD1 4.49Å; F209-I235 HydrophobicContact CE2-CG1 4.31Å; F209-I235 HydrophobicContact CZ-CG2 4Å; L211-I235 HydrophobicContact CD1-CD1 3.79Å; L211-I235 HydrophobicContact CD1-CG1 3.68Å; L232-I235 HydrophobicContact CD2-CD1 4.09Å; L232-I235 WeakPolarHBondContact O-CB 3.3Å; L232-I235 PolarHBondContact O-N 2.91Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 3.15Å; I235-K238 PolarHBondContact O-N 3.45Å; I235-F239 HydrophobicContact CG2-CD2 4.12Å; I235-F239 PolarHBondContact O-N 2.67Å; I235-Y243 HydrophobicContact CG2-CD2 3.96Å
236W98.7Very high96.3Very high52 Ų5247.9 Ų47.920%0.19725%0.252CS..Hα-helixtrans-61.2-36.1-179.1-54.7-29.8000112.6L232 K238 S240 S244 K245 T248 N261 N264L232-W236 HydrophobicContact CB-CD2 4.2Å; L232-W236 HydrophobicContact CB-CE3 4.48Å; L232-W236 HydrophobicContact CB-CH2 3.77Å; L232-W236 HydrophobicContact CB-CZ2 3.42Å; L232-W236 VanDerWaalsContact CB-CZ2 3.42Å; L232-W236 HydrophobicContact CB-CZ3 4.28Å; L232-W236 HydrophobicContact CD1-CH2 4.33Å; L232-W236 HydrophobicContact CD1-CZ2 3.77Å; L232-W236 HydrophobicContact CG-CZ2 4.26Å; L232-W236 PolarHBondContact O-N 3.43Å; W236-K238 VanDerWaalsContact C-N 3.34Å; W236-S240 WeakPolarHBondContact O-CA 3.34Å; W236-S240 WeakPolarHBondContact O-CB 3.36Å; W236-S240 PolarHBondContact O-N 2.88Å; W236-S240 VanDerWaalsContact O-N 3.12Å; W236-S244 PolarHBondContact NE1-O 3.25Å; W236-K245 HydrophobicContact CH2-CB 3.71Å; W236-K245 HydrophobicContact CZ2-CB 3.91Å; W236-K245 HydrophobicContact CZ3-CB 4.13Å; W236-T248 PolarHBondContact NE1-OG1 3.21Å; W236-N261 HydrophobicContact CH2-CB 3.97Å; W236-N264 WeakPolarHBondContact CH2-OD1 3.39Å
237G98.2Very high97Very high40 Ų4042.8 Ų42.841%0.41223%0.225SC..Hα-helixtrans-70.2-28.7176.100000113.7G233 I235G233-G237 PolarHBondContact O-N 3.23Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 3.15Å
238K98.1Very high97.6Very high61 Ų6141.9 Ų41.927%0.26522%0.22SC..Hα-helixtrans-88.3-31.6180-75-177.6168.3-610113.9V122 Y125 V127 V234 I235 W236V122-K238 HydrophobicContact CG1-CG 4.07Å; V122-K238 WeakPolarHBondContact O-CE 3.45Å; V122-K238 PolarHBondContact O-NZ 3.22Å; Y125-K238 WeakPolarHBondContact O-CE 3.31Å; Y125-K238 PolarHBondContact O-NZ 2.82Å; V127-K238 HydrophobicContact CG2-CD 3.6Å; V234-K238 HydrophobicContact CG1-CD 4.47Å; V234-K238 WeakPolarHBondContact O-CG 3.41Å; V234-K238 PolarHBondContact O-N 2.88Å; I235-K238 PolarHBondContact O-N 3.45Å; W236-K238 VanDerWaalsContact C-N 3.34Å
239F98.4Very high98.2Very high19 Ų1937.9 Ų37.98%0.08320%0.199CC..SBendtrans-129.342-172.4-58-80.4000110.8V127 I129 P133 F209 I235 E241 Y242 Y243V127-F239 HydrophobicContact CB-CE2 4.48Å; V127-F239 HydrophobicContact CB-CZ 4.3Å; V127-F239 HydrophobicContact CG1-CE2 4.25Å; V127-F239 HydrophobicContact CG1-CZ 4.04Å; V127-F239 HydrophobicContact CG2-CE2 4.35Å; I129-F239 HydrophobicContact CD1-CE1 3.88Å; I129-F239 HydrophobicContact CD1-CZ 4.27Å; I129-F239 HydrophobicContact CG1-CE1 4.31Å; I129-F239 HydrophobicContact CG1-CZ 4.27Å; P133-F239 HydrophobicContact CG-CD1 4.18Å; P133-F239 HydrophobicContact CG-CE1 4.5Å; F209-F239 HydrophobicContact CD1-CE2 4.15Å; F209-F239 AromaticContact CD1-CZ 3.96Å; F209-F239 HydrophobicContact CD1-CZ 3.96Å; F209-F239 AromaticContact CE1-CD2 3.91Å; F209-F239 HydrophobicContact CE1-CD2 3.91Å; F209-F239 HydrophobicContact CE1-CE1 4.2Å; F209-F239 AromaticContact CE1-CE2 3.47Å; F209-F239 HydrophobicContact CE1-CE2 3.47Å; F209-F239 VanDerWaalsContact CE1-CE2 3.47Å; F209-F239 HydrophobicContact CE1-CG 4.44Å; F209-F239 AromaticContact CE1-CZ 3.63Å; F209-F239 HydrophobicContact CE1-CZ 3.63Å; F209-F239 HydrophobicContact CE2-CE2 4.16Å; F209-F239 AromaticContact CZ-CD2 3.79Å; F209-F239 HydrophobicContact CZ-CD2 3.79Å; F209-F239 AromaticContact CZ-CE2 3.47Å; F209-F239 HydrophobicContact CZ-CE2 3.47Å; F209-F239 VanDerWaalsContact CZ-CE2 3.47Å; F209-F239 HydrophobicContact CZ-CZ 4.12Å; I235-F239 HydrophobicContact CG2-CD2 4.12Å; I235-F239 PolarHBondContact O-N 2.67Å; F239-E241 PolarHBondContact O-N 3.29Å; F239-Y242 PolarHBondContact O-N 3.15Å; F239-Y243 HydrophobicContact CB-CD2 3.63Å; F239-Y243 HydrophobicContact CB-CE2 4Å; F239-Y243 HydrophobicContact CG-CD2 4.39Å; F239-Y243 HydrophobicContact CG-CE2 4.4Å; F239-Y243 PolarHBondContact O-N 3.37Å
240S97.8Very high98.4Very high95 Ų9537.9 Ų37.966%0.66420%0.199SC*.THydrogen-bonded Turntrans-62.2-23.3-173.353.70000114.1W236 Y242W236-S240 WeakPolarHBondContact O-CA 3.34Å; W236-S240 WeakPolarHBondContact O-CB 3.36Å; W236-S240 PolarHBondContact O-N 2.88Å; W236-S240 VanDerWaalsContact O-N 3.12Å; S240-Y242 VanDerWaalsContact C-N 3.27Å; S240-Y242 PolarHBondContact O-N 2.86Å
241E97.4Very high98.4Very high150 Ų15037.9 Ų37.970%0.70120%0.199SC*.THydrogen-bonded Turntrans-69.4-25.6175.572.3-167.5141.900112.6F239F239-E241 PolarHBondContact O-N 3.29Å
242Y98.3Very high98.4Very high78 Ų7837.9 Ų37.931%0.30620%0.199SC..THydrogen-bonded Turntrans-108.3-40.7-177.8-60.6-71.5000112.7P133 F239 S240 N247P133-Y242 HydrophobicContact CB-CD1 3.86Å; P133-Y242 HydrophobicContact CB-CD2 3.4Å; P133-Y242 VanDerWaalsContact CB-CD2 3.4Å; P133-Y242 HydrophobicContact CB-CE1 4.01Å; P133-Y242 HydrophobicContact CB-CE2 3.55Å; P133-Y242 HydrophobicContact CB-CG 3.58Å; P133-Y242 HydrophobicContact CG-CD2 3.76Å; P133-Y242 HydrophobicContact CG-CE2 3.88Å; P133-Y242 HydrophobicContact CG-CG 4.37Å; F239-Y242 PolarHBondContact O-N 3.15Å; S240-Y242 VanDerWaalsContact C-N 3.27Å; S240-Y242 PolarHBondContact O-N 2.86Å; Y242-N247 PolarHBondContact O-ND2 2.99Å
243Y98.6Very high98.3Very high2 Ų238.8 Ų38.81%0.00820%0.204CC..  trans-128140.1-164.2-45-49.6000113.1P133 L139 D178 I235 F239P133-Y243 HydrophobicContact CB-CE2 4.43Å; P133-Y243 VanDerWaalsContact CB-OH 3.26Å; P133-Y243 WeakPolarHBondContact CB-OH 3.44Å; P133-Y243 HydrophobicContact CG-CE2 4.32Å; L139-Y243 HydrophobicContact CB-CD1 3.65Å; L139-Y243 HydrophobicContact CB-CE1 4.08Å; L139-Y243 HydrophobicContact CB-CG 3.96Å; L139-Y243 HydrophobicContact CD1-CD2 4.39Å; L139-Y243 HydrophobicContact CD1-CE1 4.42Å; L139-Y243 HydrophobicContact CD1-CE2 4.26Å; L139-Y243 HydrophobicContact CD2-CD1 4.38Å; L139-Y243 HydrophobicContact CD2-CD2 3.94Å; L139-Y243 HydrophobicContact CD2-CG 3.82Å; L139-Y243 HydrophobicContact CG-CD1 4.4Å; L139-Y243 HydrophobicContact CG-CG 4.32Å; D178-Y243 HydrophobicContact CB-CE1 4.14Å; D178-Y243 WeakPolarHBondContact CB-OH 3.45Å; D178-Y243 VanDerWaalsContact CG-OH 3.24Å; D178-Y243 PolarHBondContact OD2-OH 3.48Å; I235-Y243 HydrophobicContact CG2-CD2 3.96Å; F239-Y243 HydrophobicContact CB-CD2 3.63Å; F239-Y243 HydrophobicContact CB-CE2 4Å; F239-Y243 HydrophobicContact CG-CD2 4.39Å; F239-Y243 HydrophobicContact CG-CE2 4.4Å; F239-Y243 PolarHBondContact O-N 3.37Å
244S98.6Very high98Very high44 Ų4439.8 Ų39.831%0.30821%0.205SC..  trans-150.8177.2175.572.60000110.5W236 K246 N247 T248W236-S244 PolarHBondContact NE1-O 3.25Å; S244-K246 PolarHBondContact O-N 3.28Å; S244-K246 PolarHBondContact OG-N 3.16Å; S244-N247 PolarHBondContact N-OD1 3.43Å; S244-N247 PolarHBondContact O-N 3.29Å; S244-N247 PolarHBondContact O-OD1 2.78Å; S244-T248 WeakPolarHBondContact O-CB 3.49Å; S244-T248 PolarHBondContact O-N 2.75Å; S244-T248 PolarHBondContact O-OG1 3.11Å
245K97.8Very high97.6Very high110 Ų11039.9 Ų39.948%0.47821%0.206SC..THydrogen-bonded Turntrans-55.7-20.9171.865176.1-179.21770114.5W236 N264 L301W236-K245 HydrophobicContact CH2-CB 3.71Å; W236-K245 HydrophobicContact CZ2-CB 3.91Å; W236-K245 HydrophobicContact CZ3-CB 4.13Å; K245-N264 PolarHBondContact O-ND2 2.99Å; K245-L301 HydrophobicContact CB-CD2 4.01Å; K245-L301 HydrophobicContact CD-CD1 4Å; K245-L301 HydrophobicContact CD-CD2 3.95Å; K245-L301 HydrophobicContact CG-CD1 4.08Å; K245-L301 HydrophobicContact CG-CD2 3.94Å; K245-L301 HydrophobicContact CG-CG 4.43Å
246K98.3Very high97.2Very high102 Ų10241.8 Ų41.844%0.44321%0.213SC..THydrogen-bonded Turntrans-78.9-23.6-177.6-62.4-172.7162.6-167.10113.8S244 D299 F300 L301S244-K246 PolarHBondContact O-N 3.28Å; S244-K246 PolarHBondContact OG-N 3.16Å; K246-D299 VanDerWaalsContact CD-OD2 3.28Å; K246-D299 WeakPolarHBondContact CD-OD2 3.17Å; K246-D299 WeakPolarHBondContact CE-OD2 3.33Å; K246-D299 WeakPolarHBondContact CG-OD2 3.36Å; K246-D299 IonicContact NZ-OD2 3.98Å; K246-D299 CarbonylContact O-C 3.48Å; K246-D299 WeakPolarHBondContact O-CA 3.17Å; K246-F300 WeakPolarHBondContact O-CB 3.43Å; K246-F300 WeakPolarHBondContact O-CG 3.38Å; K246-F300 PolarHBondContact O-N 3.33Å; K246-L301 HydrophobicContact CG-CD1 4Å; K246-L301 HydrophobicContact CG-CG 4.45Å
247N98.6Very high97Very high22 Ų2239.8 Ų39.812%0.11821%0.206CC..THydrogen-bonded Turntrans-129.614.7-173.268.4-19.1000113.2K138 L139 Y242 S244K138-N247 WeakPolarHBondContact CB-O 3.35Å; K138-N247 HydrophobicContact CD-CB 3.59Å; L139-N247 PolarHBondContact N-O 2.64Å; Y242-N247 PolarHBondContact O-ND2 2.99Å; S244-N247 PolarHBondContact N-OD1 3.43Å; S244-N247 PolarHBondContact O-N 3.29Å; S244-N247 PolarHBondContact O-OD1 2.78Å
248T98.9Very high96.8Very high0 Ų038.8 Ų38.80%019%0.19CC..EExtended strand (participates in β ladder)trans-112136.4-178.3-56.10000110.9L139 V141 L232 W236 S244 N264L139-T248 HydrophobicContact CB-CG2 4.1Å; L139-T248 HydrophobicContact CD2-CG2 3.62Å; L139-T248 HydrophobicContact CG-CG2 3.88Å; L139-T248 WeakPolarHBondContact O-CA 3.41Å; V141-T248 HydrophobicContact CG2-CG2 4.29Å; L232-T248 HydrophobicContact CD1-CG2 3.83Å; L232-T248 HydrophobicContact CD2-CG2 4.24Å; W236-T248 PolarHBondContact NE1-OG1 3.21Å; S244-T248 WeakPolarHBondContact O-CB 3.49Å; S244-T248 PolarHBondContact O-N 2.75Å; S244-T248 PolarHBondContact O-OG1 3.11Å; T248-N264 PolarHBondContact O-ND2 3.07Å
249I98.9Very high96.5Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans-132.8141.4167.3-168.8169.4000109.9L139 L140 V141 Y177 F251 N264 L266 Y290 L291 I294 F300 H305L139-I249 PolarHBondContact O-N 2.81Å; L140-I249 WeakPolarHBondContact CA-O 3.09Å; L140-I249 HydrophobicContact CD1-CG2 3.83Å; V141-I249 PolarHBondContact N-O 3.11Å; Y177-I249 HydrophobicContact CE1-CG2 4.02Å; I249-F251 HydrophobicContact CD1-CD1 4.48Å; I249-F251 HydrophobicContact CD1-CE1 3.6Å; I249-F251 HydrophobicContact CD1-CZ 4.38Å; I249-F251 HydrophobicContact CG1-CD1 4.25Å; I249-F251 HydrophobicContact CG1-CE1 3.8Å; I249-N264 CarbonylContact C-O 3.5Å; I249-N264 WeakPolarHBondContact CA-O 3.26Å; I249-L266 HydrophobicContact CD1-CB 4.49Å; I249-L266 HydrophobicContact CD1-CD1 4.49Å; I249-Y290 HydrophobicContact CD1-CE1 3.97Å; I249-L291 HydrophobicContact CD1-CD2 4.41Å; I249-L291 HydrophobicContact CG2-CD2 3.76Å; I249-I294 HydrophobicContact CD1-CD1 3.72Å; I249-F300 HydrophobicContact CB-CD2 4.34Å; I249-F300 HydrophobicContact CB-CE2 4.38Å; I249-F300 HydrophobicContact CG2-CE2 4.39Å; I249-H305 WeakPolarHBondContact CD1-CE1 3.5Å
250M98.9Very high96.3Very high0 Ų036.1 Ų36.10%018%0.18CC..EExtended strand (participates in β ladder)trans-121.3127.9-179177.4177.1161.800110.4V141 K230 L232 D252 N257 F258 N264 L266V141-M250 HydrophobicContact CB-CB 4.05Å; V141-M250 HydrophobicContact CB-CG 4.04Å; V141-M250 HydrophobicContact CG1-CG 4.09Å; V141-M250 HydrophobicContact CG1-SD 4.42Å; V141-M250 CarbonylContact O-C 3.56Å; V141-M250 VanDerWaalsContact O-CA 3.22Å; V141-M250 WeakPolarHBondContact O-CA 3.35Å; K230-M250 HydrophobicContact CB-CE 3.91Å; K230-M250 HydrophobicContact CB-SD 4.47Å; K230-M250 HydrophobicContact CD-CE 3.53Å; K230-M250 HydrophobicContact CG-CE 4.3Å; L232-M250 HydrophobicContact CD1-CB 4.19Å; L232-M250 HydrophobicContact CD2-CB 4.4Å; L232-M250 HydrophobicContact CD2-SD 4.09Å; L232-M250 HydrophobicContact CG-SD 4.33Å; M250-D252 HydrophobicContact CE-CB 3.73Å; M250-D252 WeakPolarHBondContact CE-OD2 3.36Å; M250-N257 HydrophobicContact CE-CB 4.14Å; M250-F258 HydrophobicContact CE-CB 4.46Å; M250-F258 HydrophobicContact CE-CD1 4.29Å; M250-F258 HydrophobicContact SD-CB 4.12Å; M250-N264 PolarHBondContact N-O 2.8Å; M250-L266 PolarHBondContact O-N 3.42Å
251F98.8Very high96.2Very high1 Ų131.8 Ų31.80%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-104.3125.5172.7-63-8.2000109.7L140 V141 L142 D143 T147 F169 I249 L266 L287 L291L140-F251 HydrophobicContact CD1-CD1 4.48Å; L140-F251 HydrophobicContact CD1-CD2 4.26Å; L140-F251 HydrophobicContact CD1-CE1 4.47Å; L140-F251 HydrophobicContact CD1-CE2 4.23Å; L140-F251 HydrophobicContact CD1-CG 4.39Å; L140-F251 HydrophobicContact CD1-CZ 4.35Å; V141-F251 PolarHBondContact O-N 3.28Å; L142-F251 HydrophobicContact CD2-CB 3.82Å; L142-F251 HydrophobicContact CD2-CD2 3.76Å; L142-F251 HydrophobicContact CD2-CG 4.05Å; D143-F251 WeakPolarHBondContact CB-O 3.12Å; D143-F251 PolarHBondContact N-O 3.29Å; T147-F251 HydrophobicContact CG2-CB 4.44Å; F169-F251 AromaticContact CE2-CE2 3.92Å; F169-F251 HydrophobicContact CE2-CE2 3.92Å; F169-F251 AromaticContact CZ-CD2 3.95Å; F169-F251 HydrophobicContact CZ-CD2 3.95Å; F169-F251 AromaticContact CZ-CE2 3.71Å; F169-F251 HydrophobicContact CZ-CE2 3.71Å; I249-F251 HydrophobicContact CD1-CD1 4.48Å; I249-F251 HydrophobicContact CD1-CE1 3.6Å; I249-F251 HydrophobicContact CD1-CZ 4.38Å; I249-F251 HydrophobicContact CG1-CD1 4.25Å; I249-F251 HydrophobicContact CG1-CE1 3.8Å; F251-L266 HydrophobicContact CD1-CB 3.68Å; F251-L266 HydrophobicContact CD1-CD1 4.42Å; F251-L266 HydrophobicContact CD1-CD2 4.04Å; F251-L266 HydrophobicContact CD1-CG 4.26Å; F251-L266 HydrophobicContact CE1-CB 3.78Å; F251-L266 HydrophobicContact CE1-CD1 3.78Å; F251-L266 HydrophobicContact CE1-CD2 4.12Å; F251-L266 HydrophobicContact CE1-CG 4.11Å; F251-L266 HydrophobicContact CZ-CD1 4.35Å; F251-L287 HydrophobicContact CD2-CD1 4.04Å; F251-L287 HydrophobicContact CE1-CD2 4.47Å; F251-L287 HydrophobicContact CE2-CB 3.9Å; F251-L287 HydrophobicContact CE2-CD1 3.84Å; F251-L287 HydrophobicContact CE2-CD2 4.01Å; F251-L287 HydrophobicContact CE2-CG 4.14Å; F251-L287 HydrophobicContact CZ-CB 4.34Å; F251-L287 HydrophobicContact CZ-CD1 4.47Å; F251-L287 HydrophobicContact CZ-CD2 3.83Å; F251-L287 HydrophobicContact CZ-CG 4.45Å; F251-L291 HydrophobicContact CE1-CD2 4.34Å; F251-L291 HydrophobicContact CE2-CD1 4.06Å; F251-L291 HydrophobicContact CE2-CD2 4.42Å; F251-L291 HydrophobicContact CE2-CG 4.29Å; F251-L291 HydrophobicContact CZ-CD1 4.13Å; F251-L291 HydrophobicContact CZ-CD2 3.68Å; F251-L291 HydrophobicContact CZ-CG 3.9Å
252D98.4Very high96Very high0 Ų026.7 Ų26.70%013%0.129CC..EExtended strand (participates in β ladder)trans-155.7135.3-178.9-163.6-56.8000107.9D143 K230 M250 I254 N257 F258 L266 K267 I268D143-D252 HydrophobicContact CB-CB 3.91Å; D143-D252 WeakPolarHBondContact CB-OD2 3.38Å; K230-D252 IonicContact NZ-OD2 3.15Å; K230-D252 PolarHBondContact NZ-OD2 2.8Å; M250-D252 HydrophobicContact CE-CB 3.73Å; M250-D252 WeakPolarHBondContact CE-OD2 3.36Å; D252-I254 PolarHBondContact O-N 3.36Å; D252-I254 WeakPolarHBondContact OD1-CB 3.39Å; D252-I254 PolarHBondContact OD1-N 3.38Å; D252-N257 PolarHBondContact OD1-ND2 3.14Å; D252-N257 VanDerWaalsContact OD2-CB 3.29Å; D252-N257 WeakPolarHBondContact OD2-CB 3.33Å; D252-N257 PolarHBondContact OD2-ND2 2.89Å; D252-F258 HydrophobicContact CB-CD1 4.01Å; D252-F258 HydrophobicContact CB-CE1 3.98Å; D252-L266 PolarHBondContact N-O 2.68Å; D252-K267 VanDerWaalsContact O-CA 3.31Å; D252-K267 WeakPolarHBondContact O-CA 3.43Å; D252-I268 PolarHBondContact O-N 3.17Å
253D95.9Very high95.8Very high19 Ų1926.3 Ų26.310%0.10213%0.13CC..SBendtrans-75.1-17.6-17974.2-52.2000111.6T147 K267 I268 P270T147-D253 PolarHBondContact OG1-N 2.95Å; D253-K267 WeakPolarHBondContact O-CE 3.43Å; D253-I268 WeakPolarHBondContact CA-O 3.48Å; D253-I268 HydrophobicContact CB-CG2 4.08Å; D253-P270 HydrophobicContact CB-CB 4.03Å
254I92.7Very high95.7Very high38 Ų3826.5 Ų26.520%0.19513%0.131CC..  trans-102.2110-179.1-64.6177000109.9D252 R256 N257D252-I254 PolarHBondContact O-N 3.36Å; D252-I254 WeakPolarHBondContact OD1-CB 3.39Å; D252-I254 PolarHBondContact OD1-N 3.38Å; I254-R256 VanDerWaalsContact C-N 3.29Å; I254-R256 HydrophobicContact CG2-CB 4.48Å; I254-R256 HydrophobicContact CG2-CG 3.25Å; I254-R256 PolarHBondContact O-N 2.82Å; I254-N257 WeakPolarHBondContact O-CB 3.39Å; I254-N257 PolarHBondContact O-N 3.41Å; I254-N257 VanDerWaalsContact O-N 3.11Å
255G90.4Very high95.7Very high3 Ų324.7 Ų24.73%0.03112%0.12CC..G310 helixtrans-61.8-32.8-17500000114.7N257 F258G255-N257 PolarHBondContact O-N 3.46Å; G255-F258 WeakPolarHBondContact O-CD2 3.41Å; G255-F258 WeakPolarHBondContact O-CE2 3.36Å; G255-F258 PolarHBondContact O-N 3.28Å
256R89.9Confident95.7Very high41 Ų4119.5 Ų19.516%0.15510%0.097CC..G310 helixtrans-63.8-25.1178.558.4170.5-175.8-113.22.7113.2N92 I227 V229 I254 F258 L259N92-R256 PolarHBondContact ND2-NH2 2.87Å; I227-R256 HydrophobicContact CD1-CB 4.49Å; V229-R256 WeakPolarHBondContact CG1-O 3.46Å; I254-R256 VanDerWaalsContact C-N 3.29Å; I254-R256 HydrophobicContact CG2-CB 4.48Å; I254-R256 HydrophobicContact CG2-CG 3.25Å; I254-R256 PolarHBondContact O-N 2.82Å; R256-F258 PolarHBondContact O-N 3.35Å; R256-L259 VanDerWaalsContact O-CB 3.29Å; R256-L259 WeakPolarHBondContact O-CB 3.42Å; R256-L259 PolarHBondContact O-N 2.9Å; R256-L259 VanDerWaalsContact O-N 3.08Å
257N93.4Very high95.6Very high10 Ų1019.3 Ų19.35%0.05310%0.096CC..G310 helixtrans-62.6-28.9-175.7-77.2-13.3000112.1K230 M250 D252 I254 G255K230-N257 WeakPolarHBondContact CA-O 2.92Å; K230-N257 HydrophobicContact CD-CB 4.17Å; K230-N257 HydrophobicContact CG-CB 4.31Å; K230-N257 PolarHBondContact N-O 3.35Å; M250-N257 HydrophobicContact CE-CB 4.14Å; D252-N257 PolarHBondContact OD1-ND2 3.14Å; D252-N257 VanDerWaalsContact OD2-CB 3.29Å; D252-N257 WeakPolarHBondContact OD2-CB 3.33Å; D252-N257 PolarHBondContact OD2-ND2 2.89Å; I254-N257 WeakPolarHBondContact O-CB 3.39Å; I254-N257 PolarHBondContact O-N 3.41Å; I254-N257 VanDerWaalsContact O-N 3.11Å; G255-N257 PolarHBondContact O-N 3.46Å
258F94.7Very high95.6Very high19 Ų1918.3 Ų18.38%0.0839%0.091CC..G310 helixtrans-107.326.4177.346.8-101.8000113.3M250 D252 G255 R256 M260 N261 P262 K267M250-F258 HydrophobicContact CE-CB 4.46Å; M250-F258 HydrophobicContact CE-CD1 4.29Å; M250-F258 HydrophobicContact SD-CB 4.12Å; D252-F258 HydrophobicContact CB-CD1 4.01Å; D252-F258 HydrophobicContact CB-CE1 3.98Å; G255-F258 WeakPolarHBondContact O-CD2 3.41Å; G255-F258 WeakPolarHBondContact O-CE2 3.36Å; G255-F258 PolarHBondContact O-N 3.28Å; R256-F258 PolarHBondContact O-N 3.35Å; F258-M260 PolarHBondContact O-N 3.44Å; F258-N261 WeakPolarHBondContact CB-ND2 3.45Å; F258-N261 CarbonylContact O-C 3.53Å; F258-N261 PolarHBondContact O-N 3.29Å; F258-P262 VanDerWaalsContact O-N 3.12Å; F258-K267 HydrophobicContact CZ-CB 4.09Å
259L92.6Very high95.5Very high7 Ų725 Ų254%0.03712%0.116CC..THydrogen-bonded Turntrans-59-30179.8-173.366.8000113.5I101 V105 V108 T221 I227 V229 R256 N261I101-L259 HydrophobicContact CG2-CD1 4.15Å; V105-L259 HydrophobicContact CG2-CD1 4.3Å; V108-L259 HydrophobicContact CB-CD2 4.48Å; V108-L259 HydrophobicContact CG1-CD2 4.41Å; V108-L259 HydrophobicContact CG2-CD2 4.37Å; T221-L259 HydrophobicContact CG2-CD2 3.71Å; I227-L259 HydrophobicContact CD1-CD2 3.63Å; V229-L259 HydrophobicContact CG1-CB 4.18Å; R256-L259 VanDerWaalsContact O-CB 3.29Å; R256-L259 WeakPolarHBondContact O-CB 3.42Å; R256-L259 PolarHBondContact O-N 2.9Å; R256-L259 VanDerWaalsContact O-N 3.08Å; L259-N261 VanDerWaalsContact C-N 3.29Å
260M93.6Very high95.4Very high17 Ų1727.5 Ų27.58%0.08413%0.132CC..THydrogen-bonded Turntrans-81.6-4.3176.2-69.5-68.5-60.300113.8V108 E109 N114 I118 I217 V219 V229 P231 F258V108-M260 HydrophobicContact CG1-SD 3.79Å; V108-M260 VanDerWaalsContact O-SD 3.41Å; E109-M260 WeakPolarHBondContact O-CE 3.41Å; N114-M260 HydrophobicContact CB-CE 3.58Å; N114-M260 HydrophobicContact CB-SD 4.05Å; I118-M260 HydrophobicContact CD1-CE 3.79Å; I217-M260 HydrophobicContact CD1-CG 4.44Å; V219-M260 HydrophobicContact CG1-CG 4.3Å; V219-M260 HydrophobicContact CG1-SD 4.04Å; V229-M260 HydrophobicContact CG2-CG 3.65Å; P231-M260 HydrophobicContact CB-CB 4.36Å; F258-M260 PolarHBondContact O-N 3.44Å
261N94.9Very high95.3Very high5 Ų527.6 Ų27.63%0.02713%0.132CC..SBendtrans-153.557.5-177.346-103.5000110.3K230 L232 W236 F258 L259 Q263 N264 G265K230-N261 PolarHBondContact O-OD1 3.39Å; L232-N261 HydrophobicContact CB-CB 4.22Å; L232-N261 HydrophobicContact CD1-CB 4.07Å; L232-N261 VanDerWaalsContact CD1-ND2 3.33Å; L232-N261 WeakPolarHBondContact CD1-ND2 3.08Å; L232-N261 HydrophobicContact CG-CB 4.32Å; L232-N261 WeakPolarHBondContact CG-ND2 3.3Å; L232-N261 PolarHBondContact N-OD1 3.2Å; W236-N261 HydrophobicContact CH2-CB 3.97Å; F258-N261 WeakPolarHBondContact CB-ND2 3.45Å; F258-N261 CarbonylContact O-C 3.53Å; F258-N261 PolarHBondContact O-N 3.29Å; L259-N261 VanDerWaalsContact C-N 3.29Å; N261-Q263 VanDerWaalsContact C-N 3.3Å; N261-Q263 PolarHBondContact O-N 2.97Å; N261-N264 PolarHBondContact O-N 3.16Å; N261-N264 VanDerWaalsContact O-N 3.12Å; N261-G265 PolarHBondContact O-N 3.41Å
262P92.9Very high95Very high42 Ų4231.4 Ų31.427%0.27315%0.152SC..G310 helixtrans-58.4-39.3-171.329.2-43.5000113.4V105 E109 F258 N264 G265V105-P262 HydrophobicContact CG1-CB 3.28Å; V105-P262 HydrophobicContact CG1-CG 3.16Å; E109-P262 WeakPolarHBondContact OE2-CD 3.46Å; F258-P262 VanDerWaalsContact O-N 3.12Å; P262-N264 PolarHBondContact O-N 2.91Å; P262-G265 PolarHBondContact O-N 3.28Å
263Q94.4Very high94.7Very high71 Ų7137.4 Ų37.433%0.33218%0.177SC..G310 helixtrans-70.3-18.2-176-177.451.741.800112.2N261 F300 L301 L303 H305N261-Q263 VanDerWaalsContact C-N 3.3Å; N261-Q263 PolarHBondContact O-N 2.97Å; Q263-F300 PolarHBondContact NE2-O 3.27Å; Q263-L301 HydrophobicContact CG-CD2 3.87Å; Q263-L301 PolarHBondContact NE2-O 3.38Å; Q263-L301 VanDerWaalsContact NE2-O 3.1Å; Q263-L303 PolarHBondContact NE2-O 2.86Å; Q263-H305 PolarHBondContact O-CD2 3.12Å; Q263-H305 PolarHBondContact O-NE2 2.72Å
264N97.7Very high94.4Very high5 Ų536.5 Ų36.53%0.02717%0.173CC..G310 helixtrans-101.6-6179.6-64.698.5000112.6L232 W236 K245 T248 I249 M250 N261 P262L232-N264 HydrophobicContact CD1-CB 3.54Å; W236-N264 WeakPolarHBondContact CH2-OD1 3.39Å; K245-N264 PolarHBondContact O-ND2 2.99Å; T248-N264 PolarHBondContact O-ND2 3.07Å; I249-N264 CarbonylContact C-O 3.5Å; I249-N264 WeakPolarHBondContact CA-O 3.26Å; M250-N264 PolarHBondContact N-O 2.8Å; N261-N264 PolarHBondContact O-N 3.16Å; N261-N264 VanDerWaalsContact O-N 3.12Å; P262-N264 PolarHBondContact O-N 2.91Å
265G97.2Very high94.1Very high7 Ų741.5 Ų41.57%0.07220%0.195CC..EExtended strand (participates in β ladder)trans-93.5133.6-18000000112.5N261 P262N261-G265 PolarHBondContact O-N 3.41Å; P262-G265 PolarHBondContact O-N 3.28Å
266L98Very high94.2Very high1 Ų146 Ų461%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-113.7116.9165-176.8155.1000107.9I249 M250 F251 D252 I268 L287 Y290 H305 W308I249-L266 HydrophobicContact CD1-CB 4.49Å; I249-L266 HydrophobicContact CD1-CD1 4.49Å; M250-L266 PolarHBondContact O-N 3.42Å; F251-L266 HydrophobicContact CD1-CB 3.68Å; F251-L266 HydrophobicContact CD1-CD1 4.42Å; F251-L266 HydrophobicContact CD1-CD2 4.04Å; F251-L266 HydrophobicContact CD1-CG 4.26Å; F251-L266 HydrophobicContact CE1-CB 3.78Å; F251-L266 HydrophobicContact CE1-CD1 3.78Å; F251-L266 HydrophobicContact CE1-CD2 4.12Å; F251-L266 HydrophobicContact CE1-CG 4.11Å; F251-L266 HydrophobicContact CZ-CD1 4.35Å; D252-L266 PolarHBondContact N-O 2.68Å; L266-I268 HydrophobicContact CD2-CB 4.32Å; L266-I268 PolarHBondContact O-N 2.78Å; L266-I268 VanDerWaalsContact O-N 3.09Å; L266-L287 HydrophobicContact CD1-CD2 3.9Å; L266-L287 HydrophobicContact CD2-CD2 3.89Å; L266-Y290 HydrophobicContact CD1-CD1 3.91Å; L266-Y290 HydrophobicContact CD1-CE1 3.63Å; L266-H305 HydrophobicContact CB-CB 3.98Å; L266-H305 HydrophobicContact CD1-CB 4.3Å; L266-H305 HydrophobicContact CG-CB 4.26Å; L266-W308 HydrophobicContact CD1-CB 3.88Å; L266-W308 HydrophobicContact CD1-CD2 4.36Å; L266-W308 HydrophobicContact CD1-CG 3.71Å
267K97.2Very high94.3Very high98 Ų9847.1 Ų47.143%0.42623%0.227SC..EExtended strand (participates in β ladder)trans-72.4100.4173.8-167.3176.8178.6174.80109.5D98 D252 D253 F258D98-K267 VanDerWaalsContact CB-NZ 3.35Å; D98-K267 IonicContact OD2-NZ 3.42Å; D98-K267 PolarHBondContact OD2-NZ 2.82Å; D252-K267 VanDerWaalsContact O-CA 3.31Å; D252-K267 WeakPolarHBondContact O-CA 3.43Å; D253-K267 WeakPolarHBondContact O-CE 3.43Å; F258-K267 HydrophobicContact CZ-CB 4.09Å
268I98Very high94.3Very high1 Ų151 Ų511%0.00524%0.241CC..PPolyproline II helixtrans-74.7149.9176.8-170.9169.6000109.5T147 D252 D253 L266 E283 L284 L287T147-I268 HydrophobicContact CG2-CG2 4.14Å; D252-I268 PolarHBondContact O-N 3.17Å; D253-I268 WeakPolarHBondContact CA-O 3.48Å; D253-I268 HydrophobicContact CB-CG2 4.08Å; L266-I268 HydrophobicContact CD2-CB 4.32Å; L266-I268 PolarHBondContact O-N 2.78Å; L266-I268 VanDerWaalsContact O-N 3.09Å; I268-E283 HydrophobicContact CD1-CG 4.31Å; I268-E283 HydrophobicContact CG1-CG 3.88Å; I268-L284 HydrophobicContact CD1-CD2 3.91Å; I268-L287 HydrophobicContact CD1-CD1 3.31Å; I268-L287 HydrophobicContact CG1-CD1 3.73Å
269R96.8Very high94.3Very high141 Ų14157.2 Ų57.253%0.53228%0.275SS..PPolyproline II helixtrans-66.4132.4171.2-67.1176.1-165.5-88.80.1109.4R163 E283 E309R163-R269 VanDerWaalsContact CZ-O 3.28Å; R163-R269 PolarHBondContact NH1-O 2.91Å; R163-R269 PolarHBondContact NH2-O 3.38Å; R269-E283 WeakPolarHBondContact CD-OE1 3.29Å; R269-E283 WeakPolarHBondContact CG-OE1 3.39Å; R269-E283 IonicContact NE-OE1 3.94Å; R269-E283 PolarHBondContact NE-OE1 3.14Å; R269-E309 IonicContact NH2-OE2 3.09Å; R269-E309 PolarHBondContact NH2-OE2 3.35Å
270P97.1Very high94.5Very high51 Ų5164.4 Ų64.433%0.33131%0.306SS..PPolyproline II helixtrans-66135.9179.226.4-34.6000111.1Y146 D253 M272Y146-P270 HydrophobicContact CD2-CB 4.26Å; Y146-P270 HydrophobicContact CG-CB 4.23Å; D253-P270 HydrophobicContact CB-CB 4.03Å; P270-M272 HydrophobicContact CB-CE 4.4Å; P270-M272 HydrophobicContact CB-CG 4.13Å; P270-M272 HydrophobicContact CB-SD 4.44Å; P270-M272 HydrophobicContact CG-CE 3.93Å
271F97.4Very high94.7Very high2 Ų264.8 Ų64.81%0.00931%0.308CS..  trans-92.796.3174-179.1-113.9000110.3Y146 D150 L161 R163 P164 A274 N277 R278 D281Y146-F271 WeakPolarHBondContact CD1-O 3.41Å; Y146-F271 PolarHBondContact O-N 2.72Å; D150-F271 HydrophobicContact CB-CD1 4.07Å; D150-F271 HydrophobicContact CB-CE1 4.12Å; L161-F271 WeakPolarHBondContact O-CE1 3.48Å; R163-F271 HydrophobicContact CB-CB 4.45Å; R163-F271 HydrophobicContact CB-CD1 3.78Å; R163-F271 HydrophobicContact CB-CE1 4.18Å; R163-F271 HydrophobicContact CB-CG 4.05Å; R163-F271 HydrophobicContact CG-CB 3.98Å; R163-F271 HydrophobicContact CG-CD1 3.98Å; R163-F271 HydrophobicContact CG-CD2 4.02Å; R163-F271 HydrophobicContact CG-CE1 4.49Å; R163-F271 HydrophobicContact CG-CG 3.71Å; P164-F271 HydrophobicContact CG-CE2 4.38Å; P164-F271 HydrophobicContact CG-CZ 4.48Å; F271-A274 HydrophobicContact CE1-CB 3.69Å; F271-A274 HydrophobicContact CZ-CB 3.7Å; F271-N277 HydrophobicContact CE2-CB 4.43Å; F271-R278 HydrophobicContact CZ-CB 4.31Å; F271-D281 HydrophobicContact CD2-CB 3.89Å; F271-D281 HydrophobicContact CE2-CB 3.87Å
272M92.6Very high94.8Very high82 Ų8270 Ų7040%0.40433%0.33SS..  trans-115.7156.5-177.4-55.3-178.2-76.300110.9Y146 P270 N277Y146-M272 HydrophobicContact CD1-CG 3.85Å; Y146-M272 HydrophobicContact CD2-CG 4.13Å; Y146-M272 HydrophobicContact CE1-CB 4.16Å; Y146-M272 HydrophobicContact CE1-CG 3.61Å; Y146-M272 HydrophobicContact CE2-CG 3.89Å; Y146-M272 HydrophobicContact CE2-SD 4.03Å; Y146-M272 HydrophobicContact CG-CG 4.09Å; P270-M272 HydrophobicContact CB-CE 4.4Å; P270-M272 HydrophobicContact CB-CG 4.13Å; P270-M272 HydrophobicContact CB-SD 4.44Å; P270-M272 HydrophobicContact CG-CE 3.93Å; M272-N277 PolarHBondContact O-ND2 3.31Å
273K91.1Very high95.1Very high125 Ų12568.4 Ų68.454%0.54332%0.32SS..  trans52.959176.1-55.1-180-177.4-179.40111.1D150 H275 L276 N277D150-K273 VanDerWaalsContact OD2-CA 3.22Å; D150-K273 WeakPolarHBondContact OD2-CA 3.35Å; D150-K273 PolarHBondContact OD2-N 2.98Å; K273-H275 PolarHBondContact O-N 3.17Å; K273-H275 VanDerWaalsContact O-N 3.14Å; K273-L276 HydrophobicContact CB-CB 4.46Å; K273-L276 HydrophobicContact CB-CD1 4.3Å; K273-L276 HydrophobicContact CB-CG 4.47Å; K273-L276 HydrophobicContact CD-CD1 4.17Å; K273-L276 PolarHBondContact O-N 2.88Å; K273-N277 PolarHBondContact O-N 3.05Å; K273-N277 VanDerWaalsContact O-N 3.15Å
274A90.4Very high95.3Very high1 Ų165.1 Ų65.11%0.00830%0.304CS..Hα-helixtrans-49.1-44.4-174.100000112.3D150 E160 L161 F271 L276 N277 R278D150-A274 HydrophobicContact CB-CB 3.84Å; D150-A274 PolarHBondContact OD2-N 3.11Å; E160-A274 VanDerWaalsContact O-CB 3.32Å; E160-A274 WeakPolarHBondContact O-CB 3.31Å; L161-A274 HydrophobicContact CD2-CB 4.48Å; F271-A274 HydrophobicContact CE1-CB 3.69Å; F271-A274 HydrophobicContact CZ-CB 3.7Å; A274-L276 PolarHBondContact O-N 3.41Å; A274-N277 PolarHBondContact O-N 2.85Å; A274-N277 VanDerWaalsContact O-N 3.12Å; A274-R278 WeakPolarHBondContact O-CB 3.26Å; A274-R278 PolarHBondContact O-N 3Å
275H86.3Confident95.3Very high142 Ų14268 Ų6866%0.65732%0.32SS*.Hα-helixtrans-54.9-23.717764.7-81.1000115.3K273K273-H275 PolarHBondContact O-N 3.17Å; K273-H275 VanDerWaalsContact O-N 3.14Å
276L91.3Very high95.4Very high99 Ų9971.5 Ų71.552%0.51833%0.333SS..Hα-helixtrans-101.3-28.1176.9-58179.7000113.7K273 A274K273-L276 HydrophobicContact CB-CB 4.46Å; K273-L276 HydrophobicContact CB-CD1 4.3Å; K273-L276 HydrophobicContact CB-CG 4.47Å; K273-L276 HydrophobicContact CD-CD1 4.17Å; K273-L276 PolarHBondContact O-N 2.88Å; A274-L276 PolarHBondContact O-N 3.41Å
277N93Very high95.4Very high63 Ų6371.5 Ų71.534%0.33733%0.332SS..Hα-helixtrans-113.3-14.7-163.8-69.3-36.6000114.1F271 M272 K273 A274 D279 K280 D281F271-N277 HydrophobicContact CE2-CB 4.43Å; M272-N277 PolarHBondContact O-ND2 3.31Å; K273-N277 PolarHBondContact O-N 3.05Å; K273-N277 VanDerWaalsContact O-N 3.15Å; A274-N277 PolarHBondContact O-N 2.85Å; A274-N277 VanDerWaalsContact O-N 3.12Å; N277-D279 VanDerWaalsContact C-N 3.29Å; N277-D279 PolarHBondContact O-N 2.75Å; N277-K280 PolarHBondContact O-N 2.82Å; N277-D281 PolarHBondContact O-N 3.05Å
278R93.4Very high95.4Very high93 Ų9367.8 Ų67.835%0.35132%0.318SS..THydrogen-bonded Turntrans-54.9-40.3-175.5-169.4179.6-175.5-75.2-0.7113.4P164 F271 A274 K280P164-R278 HydrophobicContact CG-CB 4.41Å; P164-R278 HydrophobicContact CG-CG 3.77Å; P164-R278 WeakPolarHBondContact CG-O 3.44Å; F271-R278 HydrophobicContact CZ-CB 4.31Å; A274-R278 WeakPolarHBondContact O-CB 3.26Å; A274-R278 PolarHBondContact O-N 3Å; R278-K280 PolarHBondContact O-N 2.87Å
279D94.4Very high95.5Very high148 Ų14871.7 Ų71.779%0.79134%0.337SS*.THydrogen-bonded Turntrans-77.8-9.3-179-58.9-33000113.7N277N277-D279 VanDerWaalsContact C-N 3.29Å; N277-D279 PolarHBondContact O-N 2.75Å
280K96.4Very high95.5Very high158 Ų15865 Ų6569%0.68731%0.311SS*.THydrogen-bonded Turntrans-109.3-29.5-175.7-60174.9-172.3164.60112.7N277 R278 K282N277-K280 PolarHBondContact O-N 2.82Å; R278-K280 PolarHBondContact O-N 2.87Å; K280-K282 PolarHBondContact O-N 3.2Å
281D98.1Very high95.6Very high26 Ų2662.8 Ų62.814%0.13930%0.296CS..  trans-68.7122.9179.4-168.8-65.7000110.3R163 P164 F271 N277 E283R163-D281 IonicContact CZ-OD1 3.4Å; R163-D281 IonicContact CZ-OD2 3.26Å; R163-D281 IonicContact NE-OD1 3.82Å; R163-D281 PolarHBondContact NE-OD1 2.78Å; R163-D281 IonicContact NE-OD2 3.49Å; R163-D281 PolarHBondContact NE-OD2 2.83Å; R163-D281 IonicContact NH2-OD1 2.64Å; R163-D281 IonicContact NH2-OD2 2.81Å; R163-D281 PolarHBondContact NH2-OD2 3.35Å; P164-D281 HydrophobicContact CG-CB 4.15Å; F271-D281 HydrophobicContact CD2-CB 3.89Å; F271-D281 HydrophobicContact CE2-CB 3.87Å; N277-D281 PolarHBondContact O-N 3.05Å; D281-E283 WeakPolarHBondContact OD1-CB 3.41Å; D281-E283 PolarHBondContact OD1-N 2.96Å
282K97.9Very high95.6Very high113 Ų11365 Ų6549%0.49131%0.306SS..  trans-128.820.4176.3-63.3-176.7178.2-178.80110.6Y165 K280 L285 K286Y165-K282 HydrophobicContact CE2-CG 4.17Å; K280-K282 PolarHBondContact O-N 3.2Å; K282-L285 HydrophobicContact CB-CB 4.5Å; K282-L285 WeakPolarHBondContact O-CB 3.13Å; K282-L285 PolarHBondContact O-N 2.63Å; K282-K286 WeakPolarHBondContact O-CG 3.37Å; K282-K286 PolarHBondContact O-N 3.35Å
283E98.2Very high95.9Very high10 Ų1063.7 Ų63.75%0.04730%0.299CS..Hα-helixtrans-67.9-47-169.3-162.177.9153.400110.5I268 R269 D281 L285 K286 L287I268-E283 HydrophobicContact CD1-CG 4.31Å; I268-E283 HydrophobicContact CG1-CG 3.88Å; R269-E283 WeakPolarHBondContact CD-OE1 3.29Å; R269-E283 WeakPolarHBondContact CG-OE1 3.39Å; R269-E283 IonicContact NE-OE1 3.94Å; R269-E283 PolarHBondContact NE-OE1 3.14Å; D281-E283 WeakPolarHBondContact OD1-CB 3.41Å; D281-E283 PolarHBondContact OD1-N 2.96Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 2.79Å; E283-K286 PolarHBondContact O-N 3.23Å; E283-K286 VanDerWaalsContact O-N 3.17Å; E283-K286 IonicContact OE2-NZ 3.73Å; E283-L287 HydrophobicContact CG-CD1 4.08Å; E283-L287 WeakPolarHBondContact O-CB 3.4Å; E283-L287 WeakPolarHBondContact O-CG 3.3Å; E283-L287 PolarHBondContact O-N 2.92Å
284L98.7Very high96.2Very high1 Ų157.7 Ų57.71%0.00527%0.273CS..Hα-helixtrans-61.2-38175.7-66-172.9000112R163 L166 F169 I268 K286 L287 T288R163-L284 HydrophobicContact CB-CD1 4.04Å; R163-L284 HydrophobicContact CG-CD1 3.92Å; R163-L284 HydrophobicContact CG-CG 4.12Å; L166-L284 HydrophobicContact CB-CD1 4.25Å; L166-L284 HydrophobicContact CD1-CD1 4.09Å; F169-L284 HydrophobicContact CB-CB 3.98Å; F169-L284 HydrophobicContact CB-CD1 4.48Å; F169-L284 HydrophobicContact CD1-CD1 4.43Å; F169-L284 HydrophobicContact CD1-CD2 4.15Å; F169-L284 HydrophobicContact CD2-CB 4.34Å; F169-L284 HydrophobicContact CD2-CD2 4.41Å; F169-L284 WeakPolarHBondContact CD2-O 3.1Å; F169-L284 HydrophobicContact CE1-CD2 4.28Å; F169-L284 HydrophobicContact CG-CB 4.11Å; F169-L284 HydrophobicContact CG-CD2 4.23Å; F169-L284 HydrophobicContact CZ-CD2 4.48Å; I268-L284 HydrophobicContact CD1-CD2 3.91Å; L284-K286 PolarHBondContact O-N 2.98Å; L284-L287 HydrophobicContact CD2-CD1 4.4Å; L284-L287 PolarHBondContact O-N 3.33Å; L284-T288 PolarHBondContact O-N 2.67Å; L284-T288 PolarHBondContact O-OG1 2.81Å
285L98.1Very high96.6Very high67 Ų6758.4 Ų58.435%0.35128%0.279SS..Hα-helixtrans-60.3-44.1175.1177.464000112.2Y165 K282 E283 T288Y165-L285 HydrophobicContact CD2-CB 3.89Å; Y165-L285 HydrophobicContact CE1-CD2 4.42Å; Y165-L285 HydrophobicContact CE2-CB 4.25Å; Y165-L285 HydrophobicContact CE2-CD2 4.39Å; Y165-L285 HydrophobicContact CG-CB 4.05Å; K282-L285 HydrophobicContact CB-CB 4.5Å; K282-L285 WeakPolarHBondContact O-CB 3.13Å; K282-L285 PolarHBondContact O-N 2.63Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 2.79Å; L285-T288 WeakPolarHBondContact O-CB 3.41Å
286K98.3Very high97.1Very high80 Ų8058.4 Ų58.435%0.34828%0.277SS..Hα-helixtrans-69.5-39.9176.2-66.9175.6-178.3175.60111.6K282 E283 L284 T288 Q289 Y290 W308 E309K282-K286 WeakPolarHBondContact O-CG 3.37Å; K282-K286 PolarHBondContact O-N 3.35Å; E283-K286 PolarHBondContact O-N 3.23Å; E283-K286 VanDerWaalsContact O-N 3.17Å; E283-K286 IonicContact OE2-NZ 3.73Å; L284-K286 PolarHBondContact O-N 2.98Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 3.45Å; K286-Q289 WeakPolarHBondContact O-CB 3.38Å; K286-Q289 PolarHBondContact O-N 3.37Å; K286-Q289 VanDerWaalsContact O-N 3.11Å; K286-Y290 PolarHBondContact O-N 2.86Å; K286-W308 HydrophobicContact CB-CH2 3.51Å; K286-W308 HydrophobicContact CB-CZ3 3.71Å; K286-W308 HydrophobicContact CD-CH2 3.93Å; K286-W308 HydrophobicContact CG-CH2 4.45Å; K286-E309 IonicContact NZ-OE1 3.32Å; K286-E309 PolarHBondContact NZ-OE1 3.2Å
287L98.6Very high97.3Very high0 Ų056.3 Ų56.30%027%0.266CS..Hα-helixtrans-66.5-30.7178-73.1169.6000112.2F169 F251 L266 I268 E283 L284 Q289 Y290 L291 W308F169-L287 HydrophobicContact CE2-CB 4.07Å; F251-L287 HydrophobicContact CD2-CD1 4.04Å; F251-L287 HydrophobicContact CE1-CD2 4.47Å; F251-L287 HydrophobicContact CE2-CB 3.9Å; F251-L287 HydrophobicContact CE2-CD1 3.84Å; F251-L287 HydrophobicContact CE2-CD2 4.01Å; F251-L287 HydrophobicContact CE2-CG 4.14Å; F251-L287 HydrophobicContact CZ-CB 4.34Å; F251-L287 HydrophobicContact CZ-CD1 4.47Å; F251-L287 HydrophobicContact CZ-CD2 3.83Å; F251-L287 HydrophobicContact CZ-CG 4.45Å; L266-L287 HydrophobicContact CD1-CD2 3.9Å; L266-L287 HydrophobicContact CD2-CD2 3.89Å; I268-L287 HydrophobicContact CD1-CD1 3.31Å; I268-L287 HydrophobicContact CG1-CD1 3.73Å; E283-L287 HydrophobicContact CG-CD1 4.08Å; E283-L287 WeakPolarHBondContact O-CB 3.4Å; E283-L287 WeakPolarHBondContact O-CG 3.3Å; E283-L287 PolarHBondContact O-N 2.92Å; L284-L287 HydrophobicContact CD2-CD1 4.4Å; L284-L287 PolarHBondContact O-N 3.33Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 3.4Å; L287-Y290 HydrophobicContact CD2-CD1 4.46Å; L287-Y290 WeakPolarHBondContact O-CB 3.36Å; L287-Y290 PolarHBondContact O-N 3.17Å; L287-L291 WeakPolarHBondContact O-CG 3.31Å; L287-L291 PolarHBondContact O-N 3.44Å; L287-W308 HydrophobicContact CD2-CD2 3.95Å; L287-W308 HydrophobicContact CD2-CE3 3.98Å; L287-W308 HydrophobicContact CD2-CH2 3.91Å; L287-W308 HydrophobicContact CD2-CZ2 3.88Å; L287-W308 HydrophobicContact CD2-CZ3 3.95Å; L287-W308 HydrophobicContact CG-CH2 4Å; L287-W308 HydrophobicContact CG-CZ2 4.21Å; L287-W308 HydrophobicContact CG-CZ3 4.31Å
288T98.6Very high97.4Very high21 Ų2160.3 Ų60.313%0.12929%0.287CS..Hα-helixtrans-53.9-49168.2-60.30000111F169 S172 L284 L285 K286 Y290 L291 K292F169-T288 WeakPolarHBondContact CA-OG1 3.47Å; F169-T288 WeakPolarHBondContact CD2-OG1 3.46Å; S172-T288 VanDerWaalsContact CB-CG2 3.43Å; S172-T288 WeakPolarHBondContact OG-CG2 3.49Å; L284-T288 PolarHBondContact O-N 2.67Å; L284-T288 PolarHBondContact O-OG1 2.81Å; L285-T288 WeakPolarHBondContact O-CB 3.41Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 3.45Å; T288-Y290 VanDerWaalsContact C-N 3.32Å; T288-Y290 PolarHBondContact O-N 3.21Å; T288-L291 PolarHBondContact O-N 3.06Å; T288-K292 WeakPolarHBondContact O-CG 3.37Å; T288-K292 PolarHBondContact O-N 3.39Å; T288-K292 VanDerWaalsContact O-N 3.07Å
289Q98.1Very high97.6Very high83 Ų8358.3 Ų58.339%0.38828%0.283SS..Hα-helixtrans-63.9-40.8178.2-60.1176.70.600110.9K286 L287 K292 E293 L312 Q316K286-Q289 WeakPolarHBondContact O-CB 3.38Å; K286-Q289 PolarHBondContact O-N 3.37Å; K286-Q289 VanDerWaalsContact O-N 3.11Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 3.4Å; Q289-K292 PolarHBondContact O-N 3.28Å; Q289-E293 PolarHBondContact O-N 2.96Å; Q289-E293 VanDerWaalsContact O-N 3.1Å; Q289-L312 HydrophobicContact CB-CD1 4.21Å; Q289-L312 HydrophobicContact CB-CD2 4.13Å; Q289-Q316 VanDerWaalsContact OE1-NE2 3.14Å
290Y98.5Very high97.7Very high1 Ų151.3 Ų51.30%0.00425%0.246CC..Hα-helixtrans-61.9-49.1178.7-176.6-119.8000112.3I249 L266 K286 L287 T288 K292 E293 I294 H305 W308 Y311 L312I249-Y290 HydrophobicContact CD1-CE1 3.97Å; L266-Y290 HydrophobicContact CD1-CD1 3.91Å; L266-Y290 HydrophobicContact CD1-CE1 3.63Å; K286-Y290 PolarHBondContact O-N 2.86Å; L287-Y290 HydrophobicContact CD2-CD1 4.46Å; L287-Y290 WeakPolarHBondContact O-CB 3.36Å; L287-Y290 PolarHBondContact O-N 3.17Å; T288-Y290 VanDerWaalsContact C-N 3.32Å; T288-Y290 PolarHBondContact O-N 3.21Å; Y290-K292 VanDerWaalsContact C-N 3.32Å; Y290-K292 PolarHBondContact O-N 2.97Å; Y290-E293 PolarHBondContact O-N 2.91Å; Y290-I294 HydrophobicContact CD1-CD1 4.29Å; Y290-I294 HydrophobicContact CD2-CG2 4.03Å; Y290-I294 HydrophobicContact CE1-CD1 3.82Å; Y290-I294 HydrophobicContact CE1-CG2 4.37Å; Y290-I294 HydrophobicContact CE2-CG2 3.52Å; Y290-I294 PolarHBondContact O-N 3.3Å; Y290-H305 AromaticContact CE1-ND1 3.85Å; Y290-H305 AromaticContact CZ-ND1 3.77Å; Y290-H305 PolarHBondContact OH-CE1 3.45Å; Y290-H305 PolarHBondContact OH-ND1 3.05Å; Y290-W308 HydrophobicContact CD1-CB 4.02Å; Y290-W308 HydrophobicContact CD1-CE3 4.46Å; Y290-W308 HydrophobicContact CD2-CB 3.95Å; Y290-W308 HydrophobicContact CD2-CE3 4.38Å; Y290-W308 HydrophobicContact CE1-CB 3.74Å; Y290-W308 HydrophobicContact CE2-CB 3.69Å; Y290-W308 HydrophobicContact CG-CB 4.11Å; Y290-W308 AromaticContact CG-CE3 3.99Å; Y290-W308 HydrophobicContact CG-CE3 3.99Å; Y290-Y311 HydrophobicContact CD2-CD1 4.05Å; Y290-Y311 AromaticContact CE2-CD1 3.77Å; Y290-Y311 HydrophobicContact CE2-CD1 3.77Å; Y290-Y311 HydrophobicContact CE2-CE1 4.46Å; Y290-Y311 HydrophobicContact CE2-CG 4.08Å; Y290-L312 HydrophobicContact CD2-CD2 4.46Å; Y290-L312 HydrophobicContact CD2-CG 4.2Å
291L98.7Very high97.6Very high3 Ų346.2 Ų46.22%0.01623%0.226CC..Hα-helixtrans-59.4-42.9177.2-71.6-177.6000111.6L140 F169 A173 Y177 I249 F251 L287 T288 E293 I294 A295L140-L291 HydrophobicContact CD1-CD1 4.1Å; L140-L291 HydrophobicContact CD1-CD2 4.31Å; L140-L291 HydrophobicContact CD2-CD1 3.74Å; F169-L291 HydrophobicContact CE2-CD1 3.58Å; F169-L291 HydrophobicContact CZ-CD1 3.84Å; A173-L291 HydrophobicContact CB-CD1 4.05Å; Y177-L291 HydrophobicContact CE1-CD2 4.25Å; Y177-L291 HydrophobicContact CE2-CB 3.85Å; Y177-L291 HydrophobicContact CE2-CD2 4.21Å; Y177-L291 HydrophobicContact CE2-CG 4.46Å; Y177-L291 PolarHBondContact OH-O 3.27Å; Y177-L291 VanDerWaalsContact OH-O 3.13Å; I249-L291 HydrophobicContact CD1-CD2 4.41Å; I249-L291 HydrophobicContact CG2-CD2 3.76Å; F251-L291 HydrophobicContact CE1-CD2 4.34Å; F251-L291 HydrophobicContact CE2-CD1 4.06Å; F251-L291 HydrophobicContact CE2-CD2 4.42Å; F251-L291 HydrophobicContact CE2-CG 4.29Å; F251-L291 HydrophobicContact CZ-CD1 4.13Å; F251-L291 HydrophobicContact CZ-CD2 3.68Å; F251-L291 HydrophobicContact CZ-CG 3.9Å; L287-L291 WeakPolarHBondContact O-CG 3.31Å; L287-L291 PolarHBondContact O-N 3.44Å; T288-L291 PolarHBondContact O-N 3.06Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-E293 PolarHBondContact O-N 2.65Å; L291-I294 HydrophobicContact CD2-CD1 4.2Å; L291-I294 PolarHBondContact O-N 3.02Å; L291-A295 WeakPolarHBondContact O-CB 3.46Å; L291-A295 PolarHBondContact O-N 3.32Å
292K98.2Very high97.3Very high49 Ų4953.9 Ų53.921%0.21326%0.261CS..Hα-helixtrans-59.4-39.5176.4-77.1-74172-160.60113.1S172 E175 D176 T288 Q289 Y290 K296S172-K292 VanDerWaalsContact O-CE 3.32Å; S172-K292 WeakPolarHBondContact O-CE 3.37Å; S172-K292 PolarHBondContact O-NZ 2.78Å; S172-K292 VanDerWaalsContact O-NZ 3.09Å; S172-K292 WeakPolarHBondContact OG-CE 3.45Å; E175-K292 VanDerWaalsContact CD-NZ 3.34Å; E175-K292 IonicContact OE2-NZ 2.61Å; E175-K292 PolarHBondContact OE2-NZ 3.14Å; D176-K292 WeakPolarHBondContact OD2-CD 3.49Å; D176-K292 IonicContact OD2-NZ 2.72Å; D176-K292 PolarHBondContact OD2-NZ 3.33Å; T288-K292 WeakPolarHBondContact O-CG 3.37Å; T288-K292 PolarHBondContact O-N 3.39Å; T288-K292 VanDerWaalsContact O-N 3.07Å; Q289-K292 PolarHBondContact O-N 3.28Å; Y290-K292 VanDerWaalsContact C-N 3.32Å; Y290-K292 PolarHBondContact O-N 2.97Å; K292-K296 WeakPolarHBondContact O-CE 3.43Å
293E97.6Very high97.2Very high54 Ų5449 Ų4925%0.25224%0.24SC..Hα-helixtrans-73.4-43.7179.7-71.5-52.912800112.4Q289 Y290 L291 K296 Y311 L312Q289-E293 PolarHBondContact O-N 2.96Å; Q289-E293 VanDerWaalsContact O-N 3.1Å; Y290-E293 PolarHBondContact O-N 2.91Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-E293 PolarHBondContact O-N 2.65Å; E293-K296 IonicContact OE1-NZ 2.73Å; E293-K296 PolarHBondContact OE1-NZ 3.5Å; E293-K296 IonicContact OE2-NZ 2.78Å; E293-K296 PolarHBondContact OE2-NZ 3.23Å; E293-Y311 HydrophobicContact CB-CE1 4.01Å; E293-L312 HydrophobicContact CG-CD2 4.09Å
294I98Very high97Very high0 Ų052.9 Ų52.90%026%0.261CS..Hα-helixtrans-77.1-23.6-177.873.7176.3000112.4Y177 I249 Y290 L291 K296 L297 F300 L303 Y311Y177-I294 VanDerWaalsContact OH-CG1 3.24Å; Y177-I294 WeakPolarHBondContact OH-CG1 3.19Å; I249-I294 HydrophobicContact CD1-CD1 3.72Å; Y290-I294 HydrophobicContact CD1-CD1 4.29Å; Y290-I294 HydrophobicContact CD2-CG2 4.03Å; Y290-I294 HydrophobicContact CE1-CD1 3.82Å; Y290-I294 HydrophobicContact CE1-CG2 4.37Å; Y290-I294 HydrophobicContact CE2-CG2 3.52Å; Y290-I294 PolarHBondContact O-N 3.3Å; L291-I294 HydrophobicContact CD2-CD1 4.2Å; L291-I294 PolarHBondContact O-N 3.02Å; I294-K296 PolarHBondContact O-N 2.83Å; I294-K296 VanDerWaalsContact O-N 3.11Å; I294-L297 HydrophobicContact CB-CD1 4.23Å; I294-L297 HydrophobicContact CG2-CD1 4.49Å; I294-L297 VanDerWaalsContact O-CB 3.26Å; I294-L297 WeakPolarHBondContact O-CB 3.48Å; I294-L297 WeakPolarHBondContact O-CG 3.32Å; I294-L297 PolarHBondContact O-N 2.83Å; I294-F300 HydrophobicContact CB-CE1 4.44Å; I294-F300 HydrophobicContact CD1-CE2 4.33Å; I294-F300 HydrophobicContact CD1-CZ 4.35Å; I294-F300 HydrophobicContact CG1-CE1 4.33Å; I294-F300 HydrophobicContact CG1-CZ 4.2Å; I294-F300 WeakPolarHBondContact O-CE1 3.35Å; I294-L303 HydrophobicContact CB-CD1 3.82Å; I294-L303 HydrophobicContact CD1-CD1 4Å; I294-L303 HydrophobicContact CG1-CD1 4.46Å; I294-L303 HydrophobicContact CG2-CD1 3.77Å; I294-L303 HydrophobicContact CG2-CD2 4.18Å; I294-Y311 HydrophobicContact CG2-CD1 4.47Å; I294-Y311 HydrophobicContact CG2-CE1 3.98Å
295A98Very high96.8Very high15 Ų1553.2 Ų53.212%0.12426%0.263CS..THydrogen-bonded Turntrans-55.9-28.3175.400000113.3D176 Y177 L291 L297D176-A295 HydrophobicContact CB-CB 3.7Å; Y177-A295 HydrophobicContact CE2-CB 3.88Å; Y177-A295 PolarHBondContact OH-N 2.94Å; L291-A295 WeakPolarHBondContact O-CB 3.46Å; L291-A295 PolarHBondContact O-N 3.32Å; A295-L297 PolarHBondContact O-N 3.35Å
296K96.8Very high96.5Very high142 Ų14256.4 Ų56.462%0.61727%0.274SS*.THydrogen-bonded Turntrans-70.4-13.8177-55.4171.1-166.7166.30113.1K292 E293 I294K292-K296 WeakPolarHBondContact O-CE 3.43Å; E293-K296 IonicContact OE1-NZ 2.73Å; E293-K296 PolarHBondContact OE1-NZ 3.5Å; E293-K296 IonicContact OE2-NZ 2.78Å; E293-K296 PolarHBondContact OE2-NZ 3.23Å; I294-K296 PolarHBondContact O-N 2.83Å; I294-K296 VanDerWaalsContact O-N 3.11Å
297L96.8Very high96.2Very high56 Ų5656.6 Ų56.629%0.29328%0.276SS..  trans-87145.2-179.9-54.2175.6000110.7K138 I294 A295 F300 L303K138-L297 WeakPolarHBondContact CE-O 3.27Å; K138-L297 PolarHBondContact NZ-O 3.44Å; I294-L297 HydrophobicContact CB-CD1 4.23Å; I294-L297 HydrophobicContact CG2-CD1 4.49Å; I294-L297 VanDerWaalsContact O-CB 3.26Å; I294-L297 WeakPolarHBondContact O-CB 3.48Å; I294-L297 WeakPolarHBondContact O-CG 3.32Å; I294-L297 PolarHBondContact O-N 2.83Å; A295-L297 PolarHBondContact O-N 3.35Å; L297-F300 HydrophobicContact CB-CD1 4.47Å; L297-L303 HydrophobicContact CD1-CD1 4.21Å; L297-L303 HydrophobicContact CD1-CD2 3.72Å; L297-L303 HydrophobicContact CD1-CG 4.23Å
298D95.1Very high96.1Very high146 Ų14657.2 Ų57.278%0.78128%0.278SS*.SBendtrans-77-31.1174.8-67.5-37.1000112.3
299D96.6Very high95.8Very high51 Ų5159.4 Ų59.427%0.27329%0.287SS..  trans-136.1127.8-174.9-159.7-29.6000111.6K246 L301K246-D299 VanDerWaalsContact CD-OD2 3.28Å; K246-D299 WeakPolarHBondContact CD-OD2 3.17Å; K246-D299 WeakPolarHBondContact CE-OD2 3.33Å; K246-D299 WeakPolarHBondContact CG-OD2 3.36Å; K246-D299 IonicContact NZ-OD2 3.98Å; K246-D299 CarbonylContact O-C 3.48Å; K246-D299 WeakPolarHBondContact O-CA 3.17Å; D299-L301 VanDerWaalsContact OD1-CB 3.27Å; D299-L301 WeakPolarHBondContact OD1-CB 3.47Å; D299-L301 WeakPolarHBondContact OD1-CG 3.43Å; D299-L301 PolarHBondContact OD1-N 2.75Å
300F97.5Very high95.5Very high1 Ų163.1 Ų63.10%0.00430%0.297CS..  trans-89.4-8179.2-66.8-0.8000113.3K138 Y177 K246 I249 Q263 I294 L297 E302 L303K138-F300 HydrophobicContact CB-CZ 4.25Å; K138-F300 HydrophobicContact CD-CE1 4.43Å; K138-F300 HydrophobicContact CD-CZ 4.07Å; K138-F300 HydrophobicContact CG-CZ 4.01Å; Y177-F300 AromaticContact CE1-CE2 3.92Å; Y177-F300 HydrophobicContact CE1-CE2 3.92Å; Y177-F300 AromaticContact CE1-CZ 3.95Å; Y177-F300 HydrophobicContact CE1-CZ 3.95Å; Y177-F300 WeakPolarHBondContact OH-CZ 3.41Å; K246-F300 WeakPolarHBondContact O-CB 3.43Å; K246-F300 WeakPolarHBondContact O-CG 3.38Å; K246-F300 PolarHBondContact O-N 3.33Å; I249-F300 HydrophobicContact CB-CD2 4.34Å; I249-F300 HydrophobicContact CB-CE2 4.38Å; I249-F300 HydrophobicContact CG2-CE2 4.39Å; Q263-F300 PolarHBondContact NE2-O 3.27Å; I294-F300 HydrophobicContact CB-CE1 4.44Å; I294-F300 HydrophobicContact CD1-CE2 4.33Å; I294-F300 HydrophobicContact CD1-CZ 4.35Å; I294-F300 HydrophobicContact CG1-CE1 4.33Å; I294-F300 HydrophobicContact CG1-CZ 4.2Å; I294-F300 WeakPolarHBondContact O-CE1 3.35Å; L297-F300 HydrophobicContact CB-CD1 4.47Å; F300-E302 PolarHBondContact O-N 3.17Å; F300-E302 VanDerWaalsContact O-N 3.13Å; F300-L303 HydrophobicContact CB-CD1 3.95Å; F300-L303 HydrophobicContact CD1-CD1 4.07Å; F300-L303 HydrophobicContact CG-CD1 4.05Å; F300-L303 VanDerWaalsContact O-CB 3.3Å; F300-L303 WeakPolarHBondContact O-CB 3.48Å; F300-L303 PolarHBondContact O-N 3.18Å
301L93.6Very high95.2Very high51 Ų5165.7 Ų65.727%0.26731%0.307SS..THydrogen-bonded Turntrans-66.8-16.5-173-66.6176.6000114.5K245 K246 Q263 D299K245-L301 HydrophobicContact CB-CD2 4.01Å; K245-L301 HydrophobicContact CD-CD1 4Å; K245-L301 HydrophobicContact CD-CD2 3.95Å; K245-L301 HydrophobicContact CG-CD1 4.08Å; K245-L301 HydrophobicContact CG-CD2 3.94Å; K245-L301 HydrophobicContact CG-CG 4.43Å; K246-L301 HydrophobicContact CG-CD1 4Å; K246-L301 HydrophobicContact CG-CG 4.45Å; Q263-L301 HydrophobicContact CG-CD2 3.87Å; Q263-L301 PolarHBondContact NE2-O 3.38Å; Q263-L301 VanDerWaalsContact NE2-O 3.1Å; D299-L301 VanDerWaalsContact OD1-CB 3.27Å; D299-L301 WeakPolarHBondContact OD1-CB 3.47Å; D299-L301 WeakPolarHBondContact OD1-CG 3.43Å; D299-L301 PolarHBondContact OD1-N 2.75Å
302E92.5Very high94.7Very high187 Ų18766 Ų6687%0.87431%0.309SS*.THydrogen-bonded Turntrans-90.9-5176.3-59.2-171.6166.500112.9F300F300-E302 PolarHBondContact O-N 3.17Å; F300-E302 VanDerWaalsContact O-N 3.13Å
303L94.6Very high94.1Very high12 Ų1267.6 Ų67.66%0.06333%0.326CS..  trans-79.4130.6-177.3-64.8175.4000111.7Q263 I294 L297 F300 H305 Y311Q263-L303 PolarHBondContact NE2-O 2.86Å; I294-L303 HydrophobicContact CB-CD1 3.82Å; I294-L303 HydrophobicContact CD1-CD1 4Å; I294-L303 HydrophobicContact CG1-CD1 4.46Å; I294-L303 HydrophobicContact CG2-CD1 3.77Å; I294-L303 HydrophobicContact CG2-CD2 4.18Å; L297-L303 HydrophobicContact CD1-CD1 4.21Å; L297-L303 HydrophobicContact CD1-CD2 3.72Å; L297-L303 HydrophobicContact CD1-CG 4.23Å; F300-L303 HydrophobicContact CB-CD1 3.95Å; F300-L303 HydrophobicContact CD1-CD1 4.07Å; F300-L303 HydrophobicContact CG-CD1 4.05Å; F300-L303 VanDerWaalsContact O-CB 3.3Å; F300-L303 WeakPolarHBondContact O-CB 3.48Å; F300-L303 PolarHBondContact O-N 3.18Å; L303-H305 PolarHBondContact O-N 2.83Å; L303-Y311 HydrophobicContact CD2-CD2 4.35Å; L303-Y311 HydrophobicContact CD2-CE2 3.95Å
304N94.1Very high93.6Very high90 Ų9072.5 Ų72.548%0.48135%0.347SS..  trans-94.193.2166.6-171.3-19.3000110.4K306 H307N304-K306 PolarHBondContact O-N 2.68Å; N304-K306 WeakPolarHBondContact OD1-CB 3.4Å; N304-K306 PolarHBondContact OD1-N 3.36Å; N304-K306 VanDerWaalsContact OD1-N 3.15Å; N304-H307 PolarHBondContact O-N 3.28Å
305H95.1Very high92.8Very high8 Ų876.6 Ų76.64%0.03737%0.365CS..G310 helixtrans-62.7-21-178.2-62.7-46.1000113.9I249 Q263 L266 Y290 L303 H307 W308I249-H305 WeakPolarHBondContact CD1-CE1 3.5Å; Q263-H305 PolarHBondContact O-CD2 3.12Å; Q263-H305 PolarHBondContact O-NE2 2.72Å; L266-H305 HydrophobicContact CB-CB 3.98Å; L266-H305 HydrophobicContact CD1-CB 4.3Å; L266-H305 HydrophobicContact CG-CB 4.26Å; Y290-H305 AromaticContact CE1-ND1 3.85Å; Y290-H305 AromaticContact CZ-ND1 3.77Å; Y290-H305 PolarHBondContact OH-CE1 3.45Å; Y290-H305 PolarHBondContact OH-ND1 3.05Å; L303-H305 PolarHBondContact O-N 2.83Å; H305-H307 PolarHBondContact O-N 3.34Å; H305-W308 PolarHBondContact O-N 2.97Å
306K91.2Very high91.6Very high134 Ų13482.1 Ų82.158%0.58339%0.388SS*.G310 helixtrans-64.2-20172.9-61179.1177.7175.70112.9E102 N304E102-K306 VanDerWaalsContact CD-NZ 3.28Å; E102-K306 IonicContact OE1-NZ 2.76Å; E102-K306 PolarHBondContact OE1-NZ 3.39Å; N304-K306 PolarHBondContact O-N 2.68Å; N304-K306 WeakPolarHBondContact OD1-CB 3.4Å; N304-K306 PolarHBondContact OD1-N 3.36Å; N304-K306 VanDerWaalsContact OD1-N 3.15Å
307H92.6Very high89.9Confident85 Ų8578.7 Ų78.739%0.39439%0.393SS..G310 helixtrans-120.928.5-177.4-61.5-33.4000112N304 H305 E309 R310 Y311N304-H307 PolarHBondContact O-N 3.28Å; H305-H307 PolarHBondContact O-N 3.34Å; H307-E309 PolarHBondContact O-N 2.98Å; H307-R310 HydrophobicContact CB-CB 4.4Å; H307-R310 WeakPolarHBondContact O-CB 3.33Å; H307-R310 PolarHBondContact O-N 2.61Å; H307-Y311 PolarHBondContact O-N 3.34Å; H307-Y311 VanDerWaalsContact O-N 3.08Å
308W95.4Very high87.7Confident13 Ų1385.6 Ų85.65%0.04942%0.423CS..Hα-helixtrans-54.7-37-179.772-93.2000113.1L266 K286 L287 Y290 H305 R310 Y311 L312L266-W308 HydrophobicContact CD1-CB 3.88Å; L266-W308 HydrophobicContact CD1-CD2 4.36Å; L266-W308 HydrophobicContact CD1-CG 3.71Å; K286-W308 HydrophobicContact CB-CH2 3.51Å; K286-W308 HydrophobicContact CB-CZ3 3.71Å; K286-W308 HydrophobicContact CD-CH2 3.93Å; K286-W308 HydrophobicContact CG-CH2 4.45Å; L287-W308 HydrophobicContact CD2-CD2 3.95Å; L287-W308 HydrophobicContact CD2-CE3 3.98Å; L287-W308 HydrophobicContact CD2-CH2 3.91Å; L287-W308 HydrophobicContact CD2-CZ2 3.88Å; L287-W308 HydrophobicContact CD2-CZ3 3.95Å; L287-W308 HydrophobicContact CG-CH2 4Å; L287-W308 HydrophobicContact CG-CZ2 4.21Å; L287-W308 HydrophobicContact CG-CZ3 4.31Å; Y290-W308 HydrophobicContact CD1-CB 4.02Å; Y290-W308 HydrophobicContact CD1-CE3 4.46Å; Y290-W308 HydrophobicContact CD2-CB 3.95Å; Y290-W308 HydrophobicContact CD2-CE3 4.38Å; Y290-W308 HydrophobicContact CE1-CB 3.74Å; Y290-W308 HydrophobicContact CE2-CB 3.69Å; Y290-W308 HydrophobicContact CG-CB 4.11Å; Y290-W308 AromaticContact CG-CE3 3.99Å; Y290-W308 HydrophobicContact CG-CE3 3.99Å; H305-W308 PolarHBondContact O-N 2.97Å; W308-R310 VanDerWaalsContact C-N 3.34Å; W308-R310 PolarHBondContact O-N 3.14Å; W308-Y311 WeakPolarHBondContact O-CB 3.47Å; W308-Y311 PolarHBondContact O-N 2.83Å; W308-L312 HydrophobicContact CE3-CD1 3.95Å; W308-L312 HydrophobicContact CZ3-CD1 3.73Å; W308-L312 PolarHBondContact O-N 3.39Å; W308-L312 VanDerWaalsContact O-N 3.11Å
309E92.6Very high87.3Confident67 Ų6782.6 Ų82.631%0.31341%0.406SS..Hα-helixtrans-62.3-40.5175.7-63.7-175.1110.900111.6R269 K286 H307 Y311 L312 S313R269-E309 IonicContact NH2-OE2 3.09Å; R269-E309 PolarHBondContact NH2-OE2 3.35Å; K286-E309 IonicContact NZ-OE1 3.32Å; K286-E309 PolarHBondContact NZ-OE1 3.2Å; H307-E309 PolarHBondContact O-N 2.98Å; E309-Y311 VanDerWaalsContact C-N 3.33Å; E309-L312 PolarHBondContact O-N 3.25Å; E309-S313 PolarHBondContact O-N 2.79Å; E309-S313 PolarHBondContact O-OG 3.13Å; E309-S313 VanDerWaalsContact O-OG 3.11Å
310R92.6Very high86.9Confident161 Ų16184.2 Ų84.261%0.60841%0.412SS*.Hα-helixtrans-68.4-34.6176.7-63.9-179177.9167.8-2.5111.7H307 W308 L312 S313 K314H307-R310 HydrophobicContact CB-CB 4.4Å; H307-R310 WeakPolarHBondContact O-CB 3.33Å; H307-R310 PolarHBondContact O-N 2.61Å; W308-R310 VanDerWaalsContact C-N 3.34Å; W308-R310 PolarHBondContact O-N 3.14Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-S313 PolarHBondContact O-N 3.28Å; R310-K314 WeakPolarHBondContact O-CG 3.42Å; R310-K314 PolarHBondContact O-N 3.05Å; R310-K314 VanDerWaalsContact O-N 3.1Å
311Y91.3Very high86.3Confident54 Ų5488.8 Ų88.821%0.21244%0.435CS..Hα-helixtrans-59.5-47.8174.6-179-85.1000110.4Y290 E293 I294 L303 H307 W308 E309 K314 K315Y290-Y311 HydrophobicContact CD2-CD1 4.05Å; Y290-Y311 AromaticContact CE2-CD1 3.77Å; Y290-Y311 HydrophobicContact CE2-CD1 3.77Å; Y290-Y311 HydrophobicContact CE2-CE1 4.46Å; Y290-Y311 HydrophobicContact CE2-CG 4.08Å; E293-Y311 HydrophobicContact CB-CE1 4.01Å; I294-Y311 HydrophobicContact CG2-CD1 4.47Å; I294-Y311 HydrophobicContact CG2-CE1 3.98Å; L303-Y311 HydrophobicContact CD2-CD2 4.35Å; L303-Y311 HydrophobicContact CD2-CE2 3.95Å; H307-Y311 PolarHBondContact O-N 3.34Å; H307-Y311 VanDerWaalsContact O-N 3.08Å; W308-Y311 WeakPolarHBondContact O-CB 3.47Å; W308-Y311 PolarHBondContact O-N 2.83Å; E309-Y311 VanDerWaalsContact C-N 3.33Å; Y311-K314 PolarHBondContact O-N 3.19Å; Y311-K315 HydrophobicContact CD1-CG 4.4Å; Y311-K315 HydrophobicContact CE1-CG 4Å; Y311-K315 PolarHBondContact O-N 2.81Å
312L88.2Confident85.8Confident11 Ų1191.1 Ų91.16%0.05845%0.445CS..Hα-helixtrans-60.3-47.5175.7-76.9-179.1000112.7Q289 Y290 E293 W308 E309 R310 K314 K315 Q316Q289-L312 HydrophobicContact CB-CD1 4.21Å; Q289-L312 HydrophobicContact CB-CD2 4.13Å; Y290-L312 HydrophobicContact CD2-CD2 4.46Å; Y290-L312 HydrophobicContact CD2-CG 4.2Å; E293-L312 HydrophobicContact CG-CD2 4.09Å; W308-L312 HydrophobicContact CE3-CD1 3.95Å; W308-L312 HydrophobicContact CZ3-CD1 3.73Å; W308-L312 PolarHBondContact O-N 3.39Å; W308-L312 VanDerWaalsContact O-N 3.11Å; E309-L312 PolarHBondContact O-N 3.25Å; R310-L312 VanDerWaalsContact C-N 3.34Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 2.78Å; L312-K315 PolarHBondContact O-N 3.33Å; L312-K315 VanDerWaalsContact O-N 3.08Å; L312-Q316 PolarHBondContact O-N 3.3Å
313S86.4Confident85.4Confident81 Ų8185.1 Ų85.157%0.56642%0.418SS*.Hα-helixtrans-59.7-37.5180-540000112.6E309 R310 K315 G317E309-S313 PolarHBondContact O-N 2.79Å; E309-S313 PolarHBondContact O-OG 3.13Å; E309-S313 VanDerWaalsContact O-OG 3.11Å; R310-S313 PolarHBondContact O-N 3.28Å; S313-K315 VanDerWaalsContact C-N 3.35Å; S313-G317 PolarHBondContact O-N 2.77Å
314K85.9Confident84.8Confident157 Ų15789.9 Ų89.968%0.68344%0.442SS*.Hα-helixtrans-66.6-35.6176.2-75.2-178.1178.9-175.50112.6R310 Y311 L312 Q318R310-K314 WeakPolarHBondContact O-CG 3.42Å; R310-K314 PolarHBondContact O-N 3.05Å; R310-K314 VanDerWaalsContact O-N 3.1Å; Y311-K314 PolarHBondContact O-N 3.19Å; L312-K314 VanDerWaalsContact C-N 3.27Å; L312-K314 PolarHBondContact O-N 2.78Å; K314-Q318 WeakPolarHBondContact O-CG 2.7Å
315K81.4Confident84.2Confident87 Ų8789.9 Ų89.938%0.37844%0.439SS..Hα-helixtrans-75.6-33.8179.2-73.8-68.2-173.2179.40113.1Y311 L312 S313 G317Y311-K315 HydrophobicContact CD1-CG 4.4Å; Y311-K315 HydrophobicContact CE1-CG 4Å; Y311-K315 PolarHBondContact O-N 2.81Å; L312-K315 PolarHBondContact O-N 3.33Å; L312-K315 VanDerWaalsContact O-N 3.08Å; S313-K315 VanDerWaalsContact C-N 3.35Å; K315-G317 VanDerWaalsContact C-N 3.32Å
316Q73.6Confident83.3Confident131 Ų13196.2 Ų96.261%0.61247%0.47SS*.Hα-helixtrans-77-19.2176.9-69.1175.3-2.800113.2Q289 L312Q289-Q316 VanDerWaalsContact OE1-NE2 3.14Å; L312-Q316 PolarHBondContact O-N 3.3Å
317G61.3Low82.7Confident70 Ų7093.1 Ų93.172%0.72246%0.461SS*.THydrogen-bonded Turntrans-92.81.6173.900000114.9S313 K315S313-G317 PolarHBondContact O-N 2.77Å; K315-G317 VanDerWaalsContact C-N 3.32Å
318Q50.7Low81.8Confident200 Ų20093.8 Ų93.894%0.93547%0.467SS*.  trans-103.30172.6-78.4-179.3-1300109.7K314K314-Q318 WeakPolarHBondContact O-CG 2.7Å

Retrieved 318 of 318 residues in 174 ms (Link to these results)

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