A0A077Z3Z9_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z3Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M35.5Very low61.9Low240 Ų24086.8 Ų86.8100%1.18244%0.438SS*.  08.90-106.8170.2174.300115.5
2G44.2Very low64Low34 Ų3484.4 Ų84.435%0.35143%0.427SS..  trans-103.512.1-169.100000118.9
3R46.9Very low66.2Low233 Ų23380.1 Ų80.188%0.87940%0.403SS*.SBendtrans-98.5-15.7-177.9-78.1-171.7178.4173.91.1115
4I53.2Low68.1Low130 Ų13085 Ų8567%0.66742%0.421SS*.Hα-helixtrans-76-38.6-173.5-57.4175.2000110.9G6 A7 Q8I4-G6 PolarHBondContact O-N 2.76Å; I4-A7 PolarHBondContact O-N 2.66Å; I4-Q8 WeakPolarHBondContact O-CB 3.36Å; I4-Q8 PolarHBondContact O-N 3.09Å; I4-Q8 VanDerWaalsContact O-N 3.13Å
5G60.6Low69.9Low15 Ų1585.9 Ų85.916%0.15544%0.436CS..Hα-helixtrans-63.3-35.6-175.300000114.2A9 G33 L55G5-A9 WeakPolarHBondContact O-CB 3.36Å; G5-A9 PolarHBondContact O-N 2.99Å; G5-G33 CarbonylContact C-O 3.54Å; G5-G33 WeakPolarHBondContact CA-O 3.44Å; G5-L55 WeakPolarHBondContact O-CD1 3.46Å
6G58.4Low71.6Confident1 Ų183.7 Ų83.71%0.0144%0.441CS..Hα-helixtrans-66.9-44.1179.200000115.1I4 A9 A10 G32 G33I4-G6 PolarHBondContact O-N 2.76Å; G6-A9 PolarHBondContact O-N 3.21Å; G6-A10 WeakPolarHBondContact O-CB 3.25Å; G6-A10 PolarHBondContact O-N 2.87Å; G6-G32 WeakPolarHBondContact CA-O 3.5Å; G6-G33 PolarHBondContact N-O 2.93Å
7A72.8Confident73.1Confident40 Ų4082.6 Ų82.633%0.33144%0.435SS..Hα-helixtrans-65.7-46.5175.600000110I4 A9 A10 E11I4-A7 PolarHBondContact O-N 2.66Å; A7-A9 VanDerWaalsContact C-N 3.31Å; A7-A9 PolarHBondContact O-N 3.19Å; A7-A10 PolarHBondContact O-N 2.91Å; A7-A10 VanDerWaalsContact O-N 3.12Å; A7-E11 WeakPolarHBondContact O-CG 3.35Å; A7-E11 PolarHBondContact O-N 3.02Å
8Q76.4Confident74.3Confident118 Ų11882 Ų8255%0.55144%0.435SS*.Hα-helixtrans-59.1-41.8175.6-170.3178.415.400112.2I4 A10 E11 L12 L55I4-Q8 WeakPolarHBondContact O-CB 3.36Å; I4-Q8 PolarHBondContact O-N 3.09Å; I4-Q8 VanDerWaalsContact O-N 3.13Å; Q8-A10 VanDerWaalsContact C-N 3.35Å; Q8-A10 PolarHBondContact O-N 3.25Å; Q8-E11 PolarHBondContact O-N 3.31Å; Q8-L12 PolarHBondContact O-N 2.84Å; Q8-L55 HydrophobicContact CB-CD1 4.17Å; Q8-L55 HydrophobicContact CG-CD1 4.19Å
9A73.6Confident75.5Confident0 Ų077.9 Ų77.90%041%0.414CS..Hα-helixtrans-65-38.5176.700000111.8G5 G6 A7 E11 L12 A36 Y38 I53 L55G5-A9 WeakPolarHBondContact O-CB 3.36Å; G5-A9 PolarHBondContact O-N 2.99Å; G6-A9 PolarHBondContact O-N 3.21Å; A7-A9 VanDerWaalsContact C-N 3.31Å; A7-A9 PolarHBondContact O-N 3.19Å; A9-E11 VanDerWaalsContact C-N 3.33Å; A9-L12 VanDerWaalsContact O-CB 3.25Å; A9-L12 WeakPolarHBondContact O-CB 3.48Å; A9-L12 PolarHBondContact O-N 3.18Å; A9-A36 HydrophobicContact CB-CB 4.05Å; A9-Y38 PolarHBondContact O-OH 2.63Å; A9-I53 HydrophobicContact CB-CD1 4.24Å; A9-I53 WeakPolarHBondContact O-CD1 3.34Å; A9-L55 HydrophobicContact CB-CD1 3.92Å; A9-L55 HydrophobicContact CB-CD2 4.31Å; A9-L55 HydrophobicContact CB-CG 3.9Å
10A74.6Confident76.4Confident5 Ų579.5 Ų79.54%0.04142%0.419CS..Hα-helixtrans-77.2-17.2-179.800000114.1G6 A7 Q8 V28 R31 A36 Y38G6-A10 WeakPolarHBondContact O-CB 3.25Å; G6-A10 PolarHBondContact O-N 2.87Å; A7-A10 PolarHBondContact O-N 2.91Å; A7-A10 VanDerWaalsContact O-N 3.12Å; Q8-A10 VanDerWaalsContact C-N 3.35Å; Q8-A10 PolarHBondContact O-N 3.25Å; A10-V28 HydrophobicContact CB-CG1 4.34Å; A10-V28 HydrophobicContact CB-CG2 4.45Å; A10-R31 HydrophobicContact CB-CG 3.74Å; A10-A36 HydrophobicContact CB-CB 4.01Å; A10-Y38 VanDerWaalsContact CA-OH 3.25Å; A10-Y38 WeakPolarHBondContact CA-OH 3.39Å; A10-Y38 PolarHBondContact O-OH 2.83Å
11E84.9Confident77.2Confident139 Ų13985 Ų8565%0.6544%0.439SS*.Hα-helixtrans-94.7-5.7173.7-71.5173.9-171.100112.5A7 Q8 A9 F13A7-E11 WeakPolarHBondContact O-CG 3.35Å; A7-E11 PolarHBondContact O-N 3.02Å; Q8-E11 PolarHBondContact O-N 3.31Å; A9-E11 VanDerWaalsContact C-N 3.33Å; E11-F13 PolarHBondContact O-N 3.41Å
12L87.5Confident80.2Confident58 Ų5875.8 Ų75.830%0.30439%0.391SS..SBendtrans-58.2-35.5-179.5-174.965.3000112Q8 A9 I53 L55 Y93Q8-L12 PolarHBondContact O-N 2.84Å; A9-L12 VanDerWaalsContact O-CB 3.25Å; A9-L12 WeakPolarHBondContact O-CB 3.48Å; A9-L12 PolarHBondContact O-N 3.18Å; L12-I53 HydrophobicContact CB-CD1 4.32Å; L12-I53 HydrophobicContact CD2-CD1 3.55Å; L12-L55 HydrophobicContact CD2-CD2 4.38Å; L12-Y93 HydrophobicContact CD2-CD1 3.54Å; L12-Y93 HydrophobicContact CD2-CD2 4.3Å; L12-Y93 HydrophobicContact CD2-CE1 3.96Å; L12-Y93 HydrophobicContact CD2-CG 3.74Å
13F91.7Very high82.7Confident28 Ų2874.8 Ų74.812%0.12338%0.377CS..  trans-126.7146.4176.6-53.9-65.9000112.3E11 D17 V19 I25 Y38 M51 I53 Y93E11-F13 PolarHBondContact O-N 3.41Å; F13-D17 WeakPolarHBondContact CA-OD2 3.43Å; F13-D17 HydrophobicContact CB-CB 4.34Å; F13-D17 HydrophobicContact CD1-CB 4.37Å; F13-V19 HydrophobicContact CD1-CG2 4.29Å; F13-V19 HydrophobicContact CE1-CG2 3.82Å; F13-V19 HydrophobicContact CE2-CG2 4.26Å; F13-V19 HydrophobicContact CZ-CG2 3.81Å; F13-I25 HydrophobicContact CB-CB 4.4Å; F13-I25 HydrophobicContact CB-CD1 3.93Å; F13-I25 HydrophobicContact CB-CG1 3.75Å; F13-I25 HydrophobicContact CB-CG2 4.13Å; F13-I25 HydrophobicContact CD2-CD1 3.87Å; F13-I25 HydrophobicContact CD2-CG1 4.5Å; F13-I25 HydrophobicContact CG-CD1 3.93Å; F13-I25 HydrophobicContact CG-CG1 4.05Å; F13-Y38 HydrophobicContact CB-CE1 4.06Å; F13-Y38 HydrophobicContact CD2-CD2 4.33Å; F13-Y38 HydrophobicContact CD2-CE1 4.27Å; F13-Y38 AromaticContact CD2-CE2 3.83Å; F13-Y38 HydrophobicContact CD2-CE2 3.83Å; F13-Y38 AromaticContact CD2-CZ 3.77Å; F13-Y38 HydrophobicContact CE2-CE2 4.43Å; F13-Y38 PolarHBondContact N-OH 3.39Å; F13-M51 HydrophobicContact CD2-CE 3.79Å; F13-M51 HydrophobicContact CE2-CE 3.58Å; F13-M51 HydrophobicContact CZ-CE 4.46Å; F13-I53 HydrophobicContact CE2-CD1 4.25Å; F13-I53 HydrophobicContact CE2-CG2 4.42Å; F13-Y93 HydrophobicContact CE2-CE2 4.31Å; F13-Y93 AromaticContact CZ-CE1 3.93Å; F13-Y93 HydrophobicContact CZ-CE1 3.93Å; F13-Y93 AromaticContact CZ-CE2 3.86Å; F13-Y93 HydrophobicContact CZ-CE2 3.86Å; F13-Y93 AromaticContact CZ-CZ 3.47Å; F13-Y93 VanDerWaalsContact CZ-CZ 3.47Å; F13-Y93 WeakPolarHBondContact CZ-OH 3.36Å
14K93.5Very high85.2Confident149 Ų14964.8 Ų64.865%0.64834%0.342SS*.  trans-101.9154.1169.6-63.6177.2-176.81760110.2G16 D17 I25K14-G16 PolarHBondContact O-N 3Å; K14-D17 PolarHBondContact N-OD2 3.48Å; K14-D17 VanDerWaalsContact O-CB 3.29Å; K14-D17 WeakPolarHBondContact O-CB 3.37Å; K14-D17 PolarHBondContact O-N 3.49Å; K14-I25 WeakPolarHBondContact O-CB 3.26Å
15P95.6Very high87.3Confident99 Ų9958.6 Ų58.664%0.64331%0.31SS*.THydrogen-bonded Turntrans-50.6131.3168-2736.1000111.4I25 Q26P15-I25 CarbonylContact C-O 3.58Å; P15-I25 WeakPolarHBondContact CA-O 3.38Å; P15-Q26 WeakPolarHBondContact CB-O 3.29Å
16G96.1Very high89.1Confident50 Ų5062 Ų6252%0.51532%0.322SS..THydrogen-bonded Turntrans95.1-20.1-17500000114.9K14 I25K14-G16 PolarHBondContact O-N 3Å; G16-I25 PolarHBondContact N-O 3.22Å
17D96.9Very high90.9Very high65 Ų6567.2 Ų67.235%0.34834%0.344SS..  trans-61.1145.9173.4-70.1-12.4000110.2F13 K14 V24 I25F13-D17 WeakPolarHBondContact CA-OD2 3.43Å; F13-D17 HydrophobicContact CB-CB 4.34Å; F13-D17 HydrophobicContact CD1-CB 4.37Å; K14-D17 PolarHBondContact N-OD2 3.48Å; K14-D17 VanDerWaalsContact O-CB 3.29Å; K14-D17 WeakPolarHBondContact O-CB 3.37Å; K14-D17 PolarHBondContact O-N 3.49Å; D17-V24 WeakPolarHBondContact O-CA 3.27Å; D17-I25 HydrophobicContact CB-CG1 4.21Å; D17-I25 WeakPolarHBondContact O-CG1 3.31Å; D17-I25 PolarHBondContact O-N 3.25Å
18T96.2Very high91.9Very high72 Ų7267.7 Ų67.744%0.44234%0.343SS..EExtended strand (participates in β ladder)trans-119.5124.9-178.3-52.90000111W23 V24T18-W23 WeakPolarHBondContact CA-O 3.46Å; T18-V24 HydrophobicContact CG2-CG2 4.21Å
19V95.7Very high92.7Very high4 Ų463.9 Ų63.92%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-93.5130.7174.7-177.70000109.5F13 K21 R22 W23 I25 M51 Y95F13-V19 HydrophobicContact CD1-CG2 4.29Å; F13-V19 HydrophobicContact CE1-CG2 3.82Å; F13-V19 HydrophobicContact CE2-CG2 4.26Å; F13-V19 HydrophobicContact CZ-CG2 3.81Å; V19-K21 PolarHBondContact O-N 3.13Å; V19-K21 VanDerWaalsContact O-N 3.09Å; V19-R22 PolarHBondContact O-N 2.83Å; V19-W23 HydrophobicContact CB-CB 4.49Å; V19-W23 HydrophobicContact CB-CE3 4.47Å; V19-W23 HydrophobicContact CG1-CE3 4.34Å; V19-W23 PolarHBondContact N-O 3.18Å; V19-W23 PolarHBondContact O-N 3.33Å; V19-I25 HydrophobicContact CG2-CD1 4.36Å; V19-M51 HydrophobicContact CB-SD 4.37Å; V19-M51 HydrophobicContact CG1-SD 4.39Å; V19-M51 HydrophobicContact CG2-CE 4.06Å; V19-M51 HydrophobicContact CG2-SD 4.05Å; V19-Y95 HydrophobicContact CG1-CE1 4.27Å
20E93.9Very high93.5Very high110 Ų11064.2 Ų64.251%0.51433%0.329SS..THydrogen-bonded Turntrans51.730.8-179.6-68.1-61134.800114.3R22 W23 Q90 Y95E20-R22 PolarHBondContact O-N 3.44Å; E20-W23 HydrophobicContact CB-CE3 4.16Å; E20-W23 HydrophobicContact CB-CZ3 3.83Å; E20-W23 HydrophobicContact CG-CZ3 4.1Å; E20-Q90 PolarHBondContact OE1-NE2 2.9Å; E20-Y95 VanDerWaalsContact CG-OH 3.27Å; E20-Y95 WeakPolarHBondContact CG-OH 3.49Å
21K93.8Very high94Very high195 Ų19571.2 Ų71.285%0.84836%0.355SS*.THydrogen-bonded Turntrans53.721.1-174.7-55.5179.1-179.2177.80113.7V19V19-K21 PolarHBondContact O-N 3.13Å; V19-K21 VanDerWaalsContact O-N 3.09Å
22R97.3Very high93.5Very high47 Ų4765.5 Ų65.518%0.17733%0.333CS..THydrogen-bonded Turntrans-128.6-46.6-173.8178174.5175.7-175.8-2.8113.6V19 E20 D42 L43 Q44 V85V19-R22 PolarHBondContact O-N 2.83Å; E20-R22 PolarHBondContact O-N 3.44Å; R22-D42 VanDerWaalsContact CG-OD1 3.27Å; R22-D42 WeakPolarHBondContact CG-OD1 3.44Å; R22-D42 IonicContact CZ-OD1 3.69Å; R22-D42 IonicContact CZ-OD2 3.46Å; R22-D42 IonicContact NE-OD1 2.83Å; R22-D42 PolarHBondContact NE-OD1 2.99Å; R22-D42 IonicContact NE-OD2 3.34Å; R22-D42 PolarHBondContact NE-OD2 3.01Å; R22-D42 IonicContact NH2-OD1 3.67Å; R22-D42 IonicContact NH2-OD2 2.73Å; R22-D42 PolarHBondContact NH2-OD2 2.98Å; R22-L43 WeakPolarHBondContact O-CB 3.25Å; R22-L43 VanDerWaalsContact O-CG 3.26Å; R22-L43 WeakPolarHBondContact O-CG 3.33Å; R22-L43 PolarHBondContact O-N 3.12Å; R22-Q44 HydrophobicContact CG-CG 4.11Å; R22-V85 VanDerWaalsContact NH2-CG1 3.29Å
23W98Very high92.8Very high12 Ų1263.2 Ų63.25%0.04532%0.323CS..EExtended strand (participates in β ladder)trans-105.1110-173-60.4-71.1000110.7T18 V19 E20 V40 M41 Y95 V97T18-W23 WeakPolarHBondContact CA-O 3.46Å; V19-W23 HydrophobicContact CB-CB 4.49Å; V19-W23 HydrophobicContact CB-CE3 4.47Å; V19-W23 HydrophobicContact CG1-CE3 4.34Å; V19-W23 PolarHBondContact N-O 3.18Å; V19-W23 PolarHBondContact O-N 3.33Å; E20-W23 HydrophobicContact CB-CE3 4.16Å; E20-W23 HydrophobicContact CB-CZ3 3.83Å; E20-W23 HydrophobicContact CG-CZ3 4.1Å; W23-V40 HydrophobicContact CB-CB 4.09Å; W23-V40 HydrophobicContact CB-CG1 4.39Å; W23-V40 HydrophobicContact CB-CG2 4.2Å; W23-V40 HydrophobicContact CG-CG2 4.4Å; W23-M41 WeakPolarHBondContact CA-O 3.44Å; W23-Y95 HydrophobicContact CE3-CE2 4.21Å; W23-Y95 HydrophobicContact CH2-CE2 4.16Å; W23-Y95 AromaticContact CZ3-CE2 3.7Å; W23-Y95 HydrophobicContact CZ3-CE2 3.7Å; W23-Y95 AromaticContact CZ3-CZ 3.93Å; W23-Y95 WeakPolarHBondContact CZ3-OH 3.28Å; W23-V97 HydrophobicContact CD2-CG2 3.87Å; W23-V97 HydrophobicContact CE3-CG2 4.28Å; W23-V97 HydrophobicContact CG-CG2 4.25Å; W23-V97 HydrophobicContact CH2-CG2 4.45Å; W23-V97 HydrophobicContact CZ2-CB 4.38Å; W23-V97 HydrophobicContact CZ2-CG2 4.05Å
24V98.2Very high91.9Very high23 Ų2366.7 Ų66.714%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-89122.4178.9-1770000109.7D17 T18 Q26 V40 M41 L43D17-V24 WeakPolarHBondContact O-CA 3.27Å; T18-V24 HydrophobicContact CG2-CG2 4.21Å; V24-Q26 PolarHBondContact O-N 2.91Å; V24-V40 CarbonylContact O-C 3.57Å; V24-V40 VanDerWaalsContact O-CA 3.26Å; V24-V40 WeakPolarHBondContact O-CA 3.27Å; V24-M41 HydrophobicContact CB-CB 4.47Å; V24-M41 PolarHBondContact N-O 3.02Å; V24-M41 PolarHBondContact O-N 2.8Å; V24-L43 HydrophobicContact CG2-CD1 3.74Å; V24-L43 HydrophobicContact CG2-CD2 3.85Å; V24-L43 HydrophobicContact CG2-CG 3.81Å
25I98.2Very high91.5Very high1 Ų159.9 Ų59.91%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-67.2124.6-179.4-57.9-76.9000109.4F13 K14 P15 G16 D17 V19 Y38 V40 M51F13-I25 HydrophobicContact CB-CB 4.4Å; F13-I25 HydrophobicContact CB-CD1 3.93Å; F13-I25 HydrophobicContact CB-CG1 3.75Å; F13-I25 HydrophobicContact CB-CG2 4.13Å; F13-I25 HydrophobicContact CD2-CD1 3.87Å; F13-I25 HydrophobicContact CD2-CG1 4.5Å; F13-I25 HydrophobicContact CG-CD1 3.93Å; F13-I25 HydrophobicContact CG-CG1 4.05Å; K14-I25 WeakPolarHBondContact O-CB 3.26Å; P15-I25 CarbonylContact C-O 3.58Å; P15-I25 WeakPolarHBondContact CA-O 3.38Å; G16-I25 PolarHBondContact N-O 3.22Å; D17-I25 HydrophobicContact CB-CG1 4.21Å; D17-I25 WeakPolarHBondContact O-CG1 3.31Å; D17-I25 PolarHBondContact O-N 3.25Å; V19-I25 HydrophobicContact CG2-CD1 4.36Å; I25-Y38 HydrophobicContact CD1-CD1 4.12Å; I25-Y38 HydrophobicContact CD1-CG 4.01Å; I25-Y38 HydrophobicContact CG2-CD1 3.77Å; I25-Y38 HydrophobicContact CG2-CE1 4.33Å; I25-V40 HydrophobicContact CD1-CG1 3.74Å; I25-M51 HydrophobicContact CD1-CE 3.39Å
26Q97.8Very high91.3Very high85 Ų8555.1 Ų55.140%0.39728%0.28SS..EExtended strand (participates in β ladder)trans-99.7-52.9176.4-62.6-58.6-46.700111.2P15 V24 E39 M41 M48P15-Q26 WeakPolarHBondContact CB-O 3.29Å; V24-Q26 PolarHBondContact O-N 2.91Å; Q26-E39 HydrophobicContact CB-CG 4.38Å; Q26-E39 WeakPolarHBondContact CB-O 3.4Å; Q26-E39 PolarHBondContact N-O 3.48Å; Q26-M41 HydrophobicContact CG-CB 4.45Å; Q26-M48 HydrophobicContact CB-CE 4.2Å; Q26-M48 HydrophobicContact CG-CE 3.56Å; Q26-M48 HydrophobicContact CG-SD 4.47Å
27K95.9Very high91.2Very high112 Ų11252.8 Ų52.849%0.48726%0.255SS..EExtended strand (participates in β ladder)trans-163.1163.6179.660.9-177.9175.7-170.20111.6Y38 E39K27-Y38 CarbonylContact O-C 3.54Å; K27-Y38 WeakPolarHBondContact O-CA 3.41Å; K27-E39 WeakPolarHBondContact CE-OE2 3.26Å; K27-E39 HydrophobicContact CG-CB 4.04Å; K27-E39 PolarHBondContact N-O 2.88Å; K27-E39 IonicContact NZ-OE2 2.68Å; K27-E39 PolarHBondContact NZ-OE2 3.4Å; K27-E39 PolarHBondContact O-N 3.48Å
28V94.9Very high91.2Very high50 Ų5049.7 Ų49.730%0.30324%0.239SC..EExtended strand (participates in β ladder)trans-77.1128.1168.8-1790000109.2A10 R31 Y38A10-V28 HydrophobicContact CB-CG1 4.34Å; A10-V28 HydrophobicContact CB-CG2 4.45Å; V28-R31 HydrophobicContact CG1-CG 4.02Å; V28-Y38 HydrophobicContact CG2-CD1 3.93Å; V28-Y38 HydrophobicContact CG2-CE1 3.63Å
29L93.1Very high91.2Very high38 Ų3847.1 Ų47.120%0.19922%0.222CC..EExtended strand (participates in β ladder)trans-89.6-42.5172.3-68.8176.2000111.7V37 E39 L100 N334L29-V37 HydrophobicContact CB-CB 4.3Å; L29-V37 HydrophobicContact CB-CG1 4Å; L29-V37 HydrophobicContact CD1-CG1 3.81Å; L29-V37 HydrophobicContact CG-CG1 4.43Å; L29-V37 PolarHBondContact N-O 3.09Å; L29-E39 HydrophobicContact CD1-CB 3.89Å; L29-E39 HydrophobicContact CD2-CB 3.94Å; L29-E39 HydrophobicContact CG-CB 3.81Å; L29-L100 HydrophobicContact CD1-CD1 3.51Å; L29-N334 VanDerWaalsContact O-CB 3.24Å; L29-N334 WeakPolarHBondContact O-CB 3.43Å
30G88.8Confident91.3Very high6 Ų646.9 Ų46.96%0.06222%0.221CC..EExtended strand (participates in β ladder)trans-156.5153.6-173.400000113.1A36 V37G30-A36 WeakPolarHBondContact O-CA 3.49Å; G30-V37 PolarHBondContact N-O 3.16Å; G30-V37 PolarHBondContact O-N 2.96Å
31R86.5Confident91.6Very high153 Ų15343.9 Ų43.958%0.57721%0.207SC*.EExtended strand (participates in β ladder)trans-126.1129.2177.8-51.5-174.8-178.8-172.4-4.9109A10 V28A10-R31 HydrophobicContact CB-CG 3.74Å; V28-R31 HydrophobicContact CG1-CG 4.02Å
32G74.4Confident91.8Very high18 Ų1834.6 Ų34.619%0.18617%0.167CC..  trans-111.3-163.1171.900000112.1G6 G35 M336G6-G32 WeakPolarHBondContact CA-O 3.5Å; G32-G35 PolarHBondContact N-O 2.91Å; G32-M336 VanDerWaalsContact N-CE 3.32Å
33G71.6Confident91.8Very high10 Ų1037.1 Ų37.110%0.10318%0.183CC..SBendtrans-70.2-33.4178.500000114.2G5 G6G5-G33 CarbonylContact C-O 3.54Å; G5-G33 WeakPolarHBondContact CA-O 3.44Å; G6-G33 PolarHBondContact N-O 2.93Å
34F74Confident91.7Very high101 Ų10143.3 Ų43.344%0.44321%0.213SC..SBendtrans-136.76.7-168.9-53.3-75000113.9L55F34-L55 PolarHBondContact O-N 2.99Å; F34-L55 VanDerWaalsContact O-N 3.16Å
35G84.8Confident91.6Very high6 Ų645.3 Ų45.36%0.06223%0.225CC..EExtended strand (participates in β ladder)trans-159.3168.1-172.400000111.6G32 I53G32-G35 PolarHBondContact N-O 2.91Å; G35-I53 WeakPolarHBondContact CA-O 3.24Å
36A91Very high91.5Very high0 Ų051.3 Ų51.30%026%0.257CS..EExtended strand (participates in β ladder)trans-139.4157.3178.600000109.6A9 A10 G30 Y38 I53A9-A36 HydrophobicContact CB-CB 4.05Å; A10-A36 HydrophobicContact CB-CB 4.01Å; G30-A36 WeakPolarHBondContact O-CA 3.49Å; A36-Y38 HydrophobicContact CB-CE2 3.83Å; A36-I53 HydrophobicContact CB-CG1 4.28Å; A36-I53 PolarHBondContact N-O 3.37Å; A36-I53 WeakPolarHBondContact O-CG1 3.27Å; A36-I53 PolarHBondContact O-N 2.77Å
37V93.5Very high91.4Very high0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-116.4132.4170.5177.20000107.7L29 G30 A50 M51 K52 N334 M335 M336L29-V37 HydrophobicContact CB-CB 4.3Å; L29-V37 HydrophobicContact CB-CG1 4Å; L29-V37 HydrophobicContact CD1-CG1 3.81Å; L29-V37 HydrophobicContact CG-CG1 4.43Å; L29-V37 PolarHBondContact N-O 3.09Å; G30-V37 PolarHBondContact N-O 3.16Å; G30-V37 PolarHBondContact O-N 2.96Å; V37-A50 HydrophobicContact CG1-CB 4.29Å; V37-M51 CarbonylContact C-O 3.58Å; V37-M51 WeakPolarHBondContact CA-O 3.47Å; V37-K52 HydrophobicContact CG2-CB 3.97Å; V37-K52 HydrophobicContact CG2-CD 4.4Å; V37-K52 HydrophobicContact CG2-CG 3.83Å; V37-N334 WeakPolarHBondContact CB-O 3.42Å; V37-M335 HydrophobicContact CB-CB 4.24Å; V37-M335 HydrophobicContact CG1-CB 3.65Å; V37-M335 HydrophobicContact CG1-CG 4.15Å; V37-M335 HydrophobicContact CG2-CB 3.86Å; V37-M336 HydrophobicContact CB-SD 4.46Å; V37-M336 HydrophobicContact CG2-CG 4.01Å; V37-M336 HydrophobicContact CG2-SD 3.45Å; V37-M336 WeakPolarHBondContact CG2-SD 3.49Å
38Y96.5Very high91.5Very high1 Ų152.4 Ų52.40%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-111.4144.2174.1-60.9-93.7000110.1A9 A10 F13 I25 K27 V28 A36 A50 M51 I53A9-Y38 PolarHBondContact O-OH 2.63Å; A10-Y38 VanDerWaalsContact CA-OH 3.25Å; A10-Y38 WeakPolarHBondContact CA-OH 3.39Å; A10-Y38 PolarHBondContact O-OH 2.83Å; F13-Y38 HydrophobicContact CB-CE1 4.06Å; F13-Y38 HydrophobicContact CD2-CD2 4.33Å; F13-Y38 HydrophobicContact CD2-CE1 4.27Å; F13-Y38 AromaticContact CD2-CE2 3.83Å; F13-Y38 HydrophobicContact CD2-CE2 3.83Å; F13-Y38 AromaticContact CD2-CZ 3.77Å; F13-Y38 HydrophobicContact CE2-CE2 4.43Å; F13-Y38 PolarHBondContact N-OH 3.39Å; I25-Y38 HydrophobicContact CD1-CD1 4.12Å; I25-Y38 HydrophobicContact CD1-CG 4.01Å; I25-Y38 HydrophobicContact CG2-CD1 3.77Å; I25-Y38 HydrophobicContact CG2-CE1 4.33Å; K27-Y38 CarbonylContact O-C 3.54Å; K27-Y38 WeakPolarHBondContact O-CA 3.41Å; V28-Y38 HydrophobicContact CG2-CD1 3.93Å; V28-Y38 HydrophobicContact CG2-CE1 3.63Å; A36-Y38 HydrophobicContact CB-CE2 3.83Å; Y38-A50 WeakPolarHBondContact O-CA 3.5Å; Y38-M51 HydrophobicContact CD2-CE 3.83Å; Y38-M51 HydrophobicContact CE2-CE 4.49Å; Y38-M51 HydrophobicContact CG-CE 4.24Å; Y38-M51 PolarHBondContact N-O 2.97Å; Y38-M51 PolarHBondContact O-N 2.83Å; Y38-I53 HydrophobicContact CD2-CG2 4.47Å; Y38-I53 HydrophobicContact CE2-CD1 3.76Å; Y38-I53 HydrophobicContact CE2-CG1 4.01Å; Y38-I53 HydrophobicContact CE2-CG2 4.49Å
39E97.7Very high91.6Very high17 Ų1750.9 Ų50.98%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-82127.6159.1177.9159.4-171.200107.5Q26 K27 L29 M48 L100 R161Q26-E39 HydrophobicContact CB-CG 4.38Å; Q26-E39 WeakPolarHBondContact CB-O 3.4Å; Q26-E39 PolarHBondContact N-O 3.48Å; K27-E39 WeakPolarHBondContact CE-OE2 3.26Å; K27-E39 HydrophobicContact CG-CB 4.04Å; K27-E39 PolarHBondContact N-O 2.88Å; K27-E39 IonicContact NZ-OE2 2.68Å; K27-E39 PolarHBondContact NZ-OE2 3.4Å; K27-E39 PolarHBondContact O-N 3.48Å; L29-E39 HydrophobicContact CD1-CB 3.89Å; L29-E39 HydrophobicContact CD2-CB 3.94Å; L29-E39 HydrophobicContact CG-CB 3.81Å; E39-M48 HydrophobicContact CG-CE 3.18Å; E39-M48 WeakPolarHBondContact OE1-CE 3.37Å; E39-L100 HydrophobicContact CG-CD2 3.79Å; E39-L100 WeakPolarHBondContact OE1-CD2 3.39Å; E39-R161 IonicContact OE1-NH1 2.92Å; E39-R161 PolarHBondContact OE1-NH1 2.87Å
40V98.3Very high91.8Very high0 Ų049.1 Ų49.10%024%0.238CC..EExtended strand (participates in β ladder)trans-127.5145-177-64.80000110.8W23 V24 I25 M48 E49 M51 V97W23-V40 HydrophobicContact CB-CB 4.09Å; W23-V40 HydrophobicContact CB-CG1 4.39Å; W23-V40 HydrophobicContact CB-CG2 4.2Å; W23-V40 HydrophobicContact CG-CG2 4.4Å; V24-V40 CarbonylContact O-C 3.57Å; V24-V40 VanDerWaalsContact O-CA 3.26Å; V24-V40 WeakPolarHBondContact O-CA 3.27Å; I25-V40 HydrophobicContact CD1-CG1 3.74Å; V40-M48 CarbonylContact O-C 3.6Å; V40-M48 WeakPolarHBondContact O-CA 3.44Å; V40-E49 HydrophobicContact CG2-CB 3.93Å; V40-E49 WeakPolarHBondContact CG2-O 3.35Å; V40-E49 PolarHBondContact N-O 3.34Å; V40-E49 PolarHBondContact O-N 2.73Å; V40-M51 HydrophobicContact CG1-CB 3.75Å; V40-M51 HydrophobicContact CG1-CE 4.45Å; V40-M51 HydrophobicContact CG1-SD 4.48Å; V40-M51 HydrophobicContact CG2-CB 4.04Å; V40-V97 HydrophobicContact CG2-CG1 4.13Å
41M98.3Very high92.2Very high47 Ų4748.8 Ų48.823%0.23224%0.235CC..EExtended strand (participates in β ladder)trans-90.9122.1166.7178.46582.100108.5W23 V24 Q26 L43 M48W23-M41 WeakPolarHBondContact CA-O 3.44Å; V24-M41 HydrophobicContact CB-CB 4.47Å; V24-M41 PolarHBondContact N-O 3.02Å; V24-M41 PolarHBondContact O-N 2.8Å; Q26-M41 HydrophobicContact CG-CB 4.45Å; M41-L43 PolarHBondContact O-N 2.55Å; M41-M48 HydrophobicContact CB-SD 3.98Å; M41-M48 HydrophobicContact CE-CG 4.37Å; M41-M48 HydrophobicContact CE-SD 3.39Å; M41-M48 WeakPolarHBondContact CE-SD 3.47Å; M41-M48 HydrophobicContact CG-SD 4.49Å; M41-M48 HydrophobicContact SD-SD 3.77Å
42D98.1Very high92.5Very high0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-82109.9170.9-179.50.6000110R22 Q44 T45 N46 R47 E49R22-D42 VanDerWaalsContact CG-OD1 3.27Å; R22-D42 WeakPolarHBondContact CG-OD1 3.44Å; R22-D42 IonicContact CZ-OD1 3.69Å; R22-D42 IonicContact CZ-OD2 3.46Å; R22-D42 IonicContact NE-OD1 2.83Å; R22-D42 PolarHBondContact NE-OD1 2.99Å; R22-D42 IonicContact NE-OD2 3.34Å; R22-D42 PolarHBondContact NE-OD2 3.01Å; R22-D42 IonicContact NH2-OD1 3.67Å; R22-D42 IonicContact NH2-OD2 2.73Å; R22-D42 PolarHBondContact NH2-OD2 2.98Å; D42-Q44 PolarHBondContact O-N 3.48Å; D42-Q44 WeakPolarHBondContact OD1-CB 3Å; D42-Q44 PolarHBondContact OD1-N 3.38Å; D42-T45 WeakPolarHBondContact CB-OG1 3.36Å; D42-T45 VanDerWaalsContact CG-OG1 3.22Å; D42-T45 PolarHBondContact O-N 2.86Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.49Å; D42-T45 PolarHBondContact OD2-OG1 2.93Å; D42-N46 VanDerWaalsContact O-CA 3.22Å; D42-N46 WeakPolarHBondContact O-CA 3.17Å; D42-N46 PolarHBondContact O-N 3.07Å; D42-R47 PolarHBondContact N-O 2.75Å; D42-E49 HydrophobicContact CB-CG 4.33Å
43L97.6Very high93.3Very high99 Ų9941.7 Ų41.752%0.51820%0.203SC..THydrogen-bonded Turntrans-65.6-19.1-178.6-64.3177.4000113.8R22 V24 M41R22-L43 WeakPolarHBondContact O-CB 3.25Å; R22-L43 VanDerWaalsContact O-CG 3.26Å; R22-L43 WeakPolarHBondContact O-CG 3.33Å; R22-L43 PolarHBondContact O-N 3.12Å; V24-L43 HydrophobicContact CG2-CD1 3.74Å; V24-L43 HydrophobicContact CG2-CD2 3.85Å; V24-L43 HydrophobicContact CG2-CG 3.81Å; M41-L43 PolarHBondContact O-N 2.55Å
44Q96.7Very high94.2Very high143 Ų14342.5 Ų42.567%0.66820%0.204SC*.THydrogen-bonded Turntrans-81.7-37.2178.4-69.1-176.2-9.900112.3R22 D42R22-Q44 HydrophobicContact CG-CG 4.11Å; D42-Q44 PolarHBondContact O-N 3.48Å; D42-Q44 WeakPolarHBondContact OD1-CB 3Å; D42-Q44 PolarHBondContact OD1-N 3.38Å
45T95.7Very high94.7Very high65 Ų6538.9 Ų38.940%0.39919%0.189SC..THydrogen-bonded Turntrans-105.9-11.7-175.162.10000112.9D42 R47D42-T45 WeakPolarHBondContact CB-OG1 3.36Å; D42-T45 VanDerWaalsContact CG-OG1 3.22Å; D42-T45 PolarHBondContact O-N 2.86Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.49Å; D42-T45 PolarHBondContact OD2-OG1 2.93Å; T45-R47 PolarHBondContact O-N 2.89Å
46N95.9Very high94.2Very high127 Ų12741 Ų4168%0.67920%0.198SC*.THydrogen-bonded Turntrans54.136.6-171.7-161.944.7000112.7D42D42-N46 VanDerWaalsContact O-CA 3.22Å; D42-N46 WeakPolarHBondContact O-CA 3.17Å; D42-N46 PolarHBondContact O-N 3.07Å
47R96.2Very high92.8Very high162 Ų16245.5 Ų45.561%0.61124%0.235SC*.EExtended strand (participates in β ladder)trans-115.4150.6179.2-65.8-177.3-177.3-173.1-0.3111.3D42 T45D42-R47 PolarHBondContact N-O 2.75Å; T45-R47 PolarHBondContact O-N 2.89Å
48M97.4Very high90.9Very high57 Ų5752 Ų5228%0.28127%0.265SS..EExtended strand (participates in β ladder)trans-83.4125.7173.1-66-53-65.500110.2Q26 E39 V40 M41 L100Q26-M48 HydrophobicContact CB-CE 4.2Å; Q26-M48 HydrophobicContact CG-CE 3.56Å; Q26-M48 HydrophobicContact CG-SD 4.47Å; E39-M48 HydrophobicContact CG-CE 3.18Å; E39-M48 WeakPolarHBondContact OE1-CE 3.37Å; V40-M48 CarbonylContact O-C 3.6Å; V40-M48 WeakPolarHBondContact O-CA 3.44Å; M41-M48 HydrophobicContact CB-SD 3.98Å; M41-M48 HydrophobicContact CE-CG 4.37Å; M41-M48 HydrophobicContact CE-SD 3.39Å; M41-M48 WeakPolarHBondContact CE-SD 3.47Å; M41-M48 HydrophobicContact CG-SD 4.49Å; M41-M48 HydrophobicContact SD-SD 3.77Å; M48-L100 HydrophobicContact CB-CD2 3.79Å; M48-L100 WeakPolarHBondContact O-CB 3.47Å
49E97.6Very high88.8Confident18 Ų1857.6 Ų57.68%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-127.1165.6-177.9-56.5-60.4168.500111.7V40 D42 V85 V97 T99V40-E49 HydrophobicContact CG2-CB 3.93Å; V40-E49 WeakPolarHBondContact CG2-O 3.35Å; V40-E49 PolarHBondContact N-O 3.34Å; V40-E49 PolarHBondContact O-N 2.73Å; D42-E49 HydrophobicContact CB-CG 4.33Å; E49-V85 HydrophobicContact CG-CG2 4.21Å; E49-V97 HydrophobicContact CB-CG1 3.6Å; E49-V97 HydrophobicContact CG-CG1 4.27Å; E49-T99 VanDerWaalsContact OE2-CA 3.3Å; E49-T99 WeakPolarHBondContact OE2-CA 3.48Å
50A97.5Very high86.8Confident1 Ų160.2 Ų60.21%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-101.7119.1173.600000109.9V37 Y38 V97 M98 L100 M335V37-A50 HydrophobicContact CG1-CB 4.29Å; Y38-A50 WeakPolarHBondContact O-CA 3.5Å; A50-V97 WeakPolarHBondContact O-CA 3.36Å; A50-M98 HydrophobicContact CB-CG 4.44Å; A50-M98 PolarHBondContact N-O 3.01Å; A50-M98 PolarHBondContact O-N 2.94Å; A50-L100 HydrophobicContact CB-CB 4.39Å; A50-L100 HydrophobicContact CB-CD1 3.81Å; A50-M335 HydrophobicContact CB-CE 4.38Å; A50-M335 HydrophobicContact CB-CG 4.09Å
51M96.5Very high85.1Confident0 Ų069 Ų690%034%0.34CS..EExtended strand (participates in β ladder)trans-101.4109.3171.3-176.5179.977.100110.1F13 V19 I25 V37 Y38 V40 I53 Y95 I96 V97F13-M51 HydrophobicContact CD2-CE 3.79Å; F13-M51 HydrophobicContact CE2-CE 3.58Å; F13-M51 HydrophobicContact CZ-CE 4.46Å; V19-M51 HydrophobicContact CB-SD 4.37Å; V19-M51 HydrophobicContact CG1-SD 4.39Å; V19-M51 HydrophobicContact CG2-CE 4.06Å; V19-M51 HydrophobicContact CG2-SD 4.05Å; I25-M51 HydrophobicContact CD1-CE 3.39Å; V37-M51 CarbonylContact C-O 3.58Å; V37-M51 WeakPolarHBondContact CA-O 3.47Å; Y38-M51 HydrophobicContact CD2-CE 3.83Å; Y38-M51 HydrophobicContact CE2-CE 4.49Å; Y38-M51 HydrophobicContact CG-CE 4.24Å; Y38-M51 PolarHBondContact N-O 2.97Å; Y38-M51 PolarHBondContact O-N 2.83Å; V40-M51 HydrophobicContact CG1-CB 3.75Å; V40-M51 HydrophobicContact CG1-CE 4.45Å; V40-M51 HydrophobicContact CG1-SD 4.48Å; V40-M51 HydrophobicContact CG2-CB 4.04Å; M51-I53 HydrophobicContact CE-CG2 3.79Å; M51-I53 HydrophobicContact CG-CG2 4.05Å; M51-I53 HydrophobicContact SD-CG2 4.32Å; M51-Y95 HydrophobicContact CG-CD2 4.32Å; M51-Y95 HydrophobicContact SD-CD2 4.29Å; M51-Y95 HydrophobicContact SD-CG 4.44Å; M51-I96 CarbonylContact C-O 3.58Å; M51-I96 WeakPolarHBondContact CA-O 3.38Å; M51-V97 HydrophobicContact CB-CG2 4.15Å; M51-V97 HydrophobicContact CG-CG2 3.97Å
52K93.7Very high83.9Confident19 Ų1969.3 Ų69.38%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-94.4130.4173.1-173.9176-171.8-179.60109.6V37 L63 E66 Y95 I96 M98V37-K52 HydrophobicContact CG2-CB 3.97Å; V37-K52 HydrophobicContact CG2-CD 4.4Å; V37-K52 HydrophobicContact CG2-CG 3.83Å; K52-L63 HydrophobicContact CD-CD1 4.09Å; K52-L63 HydrophobicContact CG-CD1 4.26Å; K52-E66 VanDerWaalsContact NZ-CD 3.29Å; K52-E66 IonicContact NZ-OE1 3.77Å; K52-E66 PolarHBondContact NZ-OE1 3.35Å; K52-E66 IonicContact NZ-OE2 3.15Å; K52-E66 PolarHBondContact NZ-OE2 2.81Å; K52-Y95 CarbonylContact O-C 3.42Å; K52-Y95 VanDerWaalsContact O-CA 3.24Å; K52-Y95 WeakPolarHBondContact O-CA 3.3Å; K52-I96 HydrophobicContact CB-CG2 3.86Å; K52-I96 PolarHBondContact N-O 3.43Å; K52-I96 PolarHBondContact O-N 3.19Å; K52-M98 HydrophobicContact CB-CE 4.5Å
53I91.3Very high83.1Confident2 Ų269.8 Ų69.81%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-120.8150.9178.774163.8000111.8A9 L12 F13 G35 A36 Y38 M51 Y93 C94A9-I53 HydrophobicContact CB-CD1 4.24Å; A9-I53 WeakPolarHBondContact O-CD1 3.34Å; L12-I53 HydrophobicContact CB-CD1 4.32Å; L12-I53 HydrophobicContact CD2-CD1 3.55Å; F13-I53 HydrophobicContact CE2-CD1 4.25Å; F13-I53 HydrophobicContact CE2-CG2 4.42Å; G35-I53 WeakPolarHBondContact CA-O 3.24Å; A36-I53 HydrophobicContact CB-CG1 4.28Å; A36-I53 PolarHBondContact N-O 3.37Å; A36-I53 WeakPolarHBondContact O-CG1 3.27Å; A36-I53 PolarHBondContact O-N 2.77Å; Y38-I53 HydrophobicContact CD2-CG2 4.47Å; Y38-I53 HydrophobicContact CE2-CD1 3.76Å; Y38-I53 HydrophobicContact CE2-CG1 4.01Å; Y38-I53 HydrophobicContact CE2-CG2 4.49Å; M51-I53 HydrophobicContact CE-CG2 3.79Å; M51-I53 HydrophobicContact CG-CG2 4.05Å; M51-I53 HydrophobicContact SD-CG2 4.32Å; I53-Y93 HydrophobicContact CB-CD2 4.3Å; I53-Y93 HydrophobicContact CG2-CD2 4.23Å; I53-C94 VanDerWaalsContact CA-O 3.27Å; I53-C94 WeakPolarHBondContact CA-O 3.23Å
54E89Confident82.6Confident27 Ų2772.2 Ų72.213%0.12636%0.355CS..EExtended strand (participates in β ladder)trans-131.5130.5169.8-173.1172.2-147.500108.8S62 L63 Y93 C94E54-S62 PolarHBondContact OE1-OG 2.92Å; E54-S62 VanDerWaalsContact OE1-OG 3.09Å; E54-L63 HydrophobicContact CB-CB 4.29Å; E54-L63 HydrophobicContact CB-CD2 3.96Å; E54-L63 WeakPolarHBondContact OE2-CB 3.22Å; E54-L63 PolarHBondContact OE2-N 2.95Å; E54-Y93 VanDerWaalsContact O-CA 3.31Å; E54-Y93 WeakPolarHBondContact O-CA 3.43Å; E54-Y93 WeakPolarHBondContact O-CB 3.41Å; E54-C94 PolarHBondContact N-O 3.11Å; E54-C94 PolarHBondContact O-N 2.82Å
55L85.6Confident82.3Confident25 Ų2567.9 Ų67.913%0.13134%0.337CS..EExtended strand (participates in β ladder)trans-72.8139.5178.4-63.2177.8000110.6G5 Q8 A9 L12 F34 A57G5-L55 WeakPolarHBondContact O-CD1 3.46Å; Q8-L55 HydrophobicContact CB-CD1 4.17Å; Q8-L55 HydrophobicContact CG-CD1 4.19Å; A9-L55 HydrophobicContact CB-CD1 3.92Å; A9-L55 HydrophobicContact CB-CD2 4.31Å; A9-L55 HydrophobicContact CB-CG 3.9Å; L12-L55 HydrophobicContact CD2-CD2 4.38Å; F34-L55 PolarHBondContact O-N 2.99Å; F34-L55 VanDerWaalsContact O-N 3.16Å; L55-A57 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact O-N 3.09Å
56Q73.3Confident82Confident51 Ų5165.2 Ų65.224%0.23832%0.32CS..THydrogen-bonded Turntrans-66-12.5-173.6-75.7-14914.200115.4Q58 F60 Q90 E91 S92Q56-Q58 PolarHBondContact O-N 2.88Å; Q56-F60 HydrophobicContact CB-CE1 4.19Å; Q56-F60 HydrophobicContact CB-CZ 3.66Å; Q56-F60 HydrophobicContact CG-CE1 3.79Å; Q56-F60 HydrophobicContact CG-CZ 3.54Å; Q56-Q90 PolarHBondContact NE2-O 3.43Å; Q56-E91 WeakPolarHBondContact CG-O 3.47Å; Q56-E91 PolarHBondContact NE2-O 3.47Å; Q56-E91 PolarHBondContact OE1-O 3.11Å; Q56-S92 PolarHBondContact N-O 2.93Å
57A62.2Low81.9Confident95 Ų9560.2 Ų60.279%0.78529%0.294SS*.THydrogen-bonded Turntrans-65-7.3-165.700000116L55L55-A57 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact O-N 3.09Å
58Q54.4Low81.8Confident136 Ų13655.9 Ų55.964%0.63629%0.285SS*.SBendtrans-146.3158.3175.1-69.8-161.8-3.200114.3Q56 F60Q56-Q58 PolarHBondContact O-N 2.88Å; Q58-F60 PolarHBondContact O-N 3.33Å
59D51.4Low81.7Confident119 Ų11953.1 Ų53.164%0.63627%0.272SS*.  trans-32.996.5-179.8-81.4-17000114.6R61D59-R61 PolarHBondContact O-N 2.84Å; D59-R61 IonicContact OD2-CZ 3.83Å; D59-R61 IonicContact OD2-NE 3.36Å; D59-R61 IonicContact OD2-NH2 2.91Å; D59-R61 PolarHBondContact OD2-NH2 2.7Å
60F55.1Low81.7Confident72 Ų7252.3 Ų52.332%0.31627%0.268SS..  trans-45.349.1176.7-65.6-88.4000118.4Q56 Q58 K64Q56-F60 HydrophobicContact CB-CE1 4.19Å; Q56-F60 HydrophobicContact CB-CZ 3.66Å; Q56-F60 HydrophobicContact CG-CE1 3.79Å; Q56-F60 HydrophobicContact CG-CZ 3.54Å; Q58-F60 PolarHBondContact O-N 3.33Å; F60-K64 VanDerWaalsContact O-CB 3.27Å; F60-K64 WeakPolarHBondContact O-CB 3.34Å
61R63.9Low81.6Confident184 Ų18457.6 Ų57.669%0.69429%0.29SS*.  trans-91.5-30.4-169.9-75.5-175.2-98.3179.2-10.9114.3D59 L65D59-R61 PolarHBondContact O-N 2.84Å; D59-R61 IonicContact OD2-CZ 3.83Å; D59-R61 IonicContact OD2-NE 3.36Å; D59-R61 IonicContact OD2-NH2 2.91Å; D59-R61 PolarHBondContact OD2-NH2 2.7Å; R61-L65 WeakPolarHBondContact O-CB 3.48Å
62S72.9Confident81.7Confident54 Ų5459.7 Ų59.738%0.37830%0.3SS..Hα-helixtrans-83.8-57.7-173.172.50000112.6E54 K64 L65 E66E54-S62 PolarHBondContact OE1-OG 2.92Å; E54-S62 VanDerWaalsContact OE1-OG 3.09Å; S62-K64 VanDerWaalsContact C-N 3.33Å; S62-K64 PolarHBondContact O-N 2.84Å; S62-L65 PolarHBondContact O-N 2.82Å; S62-E66 PolarHBondContact O-N 2.9Å
63L81.8Confident81.9Confident9 Ų958.8 Ų58.85%0.04730%0.296CS..Hα-helixtrans-66.3-35.1-176.4-164.567.6000112.6K52 E54 L65 E66 V67 C94 I96K52-L63 HydrophobicContact CD-CD1 4.09Å; K52-L63 HydrophobicContact CG-CD1 4.26Å; E54-L63 HydrophobicContact CB-CB 4.29Å; E54-L63 HydrophobicContact CB-CD2 3.96Å; E54-L63 WeakPolarHBondContact OE2-CB 3.22Å; E54-L63 PolarHBondContact OE2-N 2.95Å; L63-L65 PolarHBondContact O-N 3.09Å; L63-E66 PolarHBondContact O-N 3.28Å; L63-V67 HydrophobicContact CG-CG2 4.49Å; L63-V67 WeakPolarHBondContact O-CB 3.41Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.07Å; L63-V67 PolarHBondContact O-N 2.88Å; L63-C94 HydrophobicContact CD2-CB 4.01Å; L63-I96 HydrophobicContact CD1-CG2 3.73Å
64K87.4Confident82.2Confident150 Ų15060.4 Ų60.465%0.65231%0.305SS*.Hα-helixtrans-61.3-44.2175.5-174.4177.8-179.2177.80111.7F60 S62 V68F60-K64 VanDerWaalsContact O-CB 3.27Å; F60-K64 WeakPolarHBondContact O-CB 3.34Å; S62-K64 VanDerWaalsContact C-N 3.33Å; S62-K64 PolarHBondContact O-N 2.84Å; K64-V68 VanDerWaalsContact O-CG2 3.26Å; K64-V68 WeakPolarHBondContact O-CG2 3.45Å; K64-V68 PolarHBondContact O-N 3.31Å
65L88.7Confident82.7Confident53 Ų5363.1 Ų63.128%0.27733%0.332SS..Hα-helixtrans-64.5-44.9177.1176.762.4000110.5R61 S62 L63 V67 V68 V69 S176R61-L65 WeakPolarHBondContact O-CB 3.48Å; S62-L65 PolarHBondContact O-N 2.82Å; L63-L65 PolarHBondContact O-N 3.09Å; L65-V67 PolarHBondContact O-N 2.89Å; L65-V68 PolarHBondContact O-N 2.78Å; L65-V69 HydrophobicContact CD1-CG2 4.05Å; L65-V69 HydrophobicContact CG-CG2 4.45Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 3.42Å; L65-S176 WeakPolarHBondContact CD2-O 3.39Å
66E90.6Very high83.3Confident9 Ų968.8 Ų68.84%0.04235%0.352CS..Hα-helixtrans-59-46.9178.5-170.2169.6-168.600112K52 S62 L63 V68 V69 L70 F173K52-E66 VanDerWaalsContact NZ-CD 3.29Å; K52-E66 IonicContact NZ-OE1 3.77Å; K52-E66 PolarHBondContact NZ-OE1 3.35Å; K52-E66 IonicContact NZ-OE2 3.15Å; K52-E66 PolarHBondContact NZ-OE2 2.81Å; S62-E66 PolarHBondContact O-N 2.9Å; L63-E66 PolarHBondContact O-N 3.28Å; E66-V68 PolarHBondContact O-N 2.94Å; E66-V69 PolarHBondContact O-N 3.2Å; E66-L70 VanDerWaalsContact O-CB 3.23Å; E66-L70 WeakPolarHBondContact O-CB 3.47Å; E66-L70 PolarHBondContact O-N 2.83Å; E66-F173 HydrophobicContact CG-CB 4.26Å; E66-F173 HydrophobicContact CG-CD2 4.09Å
67V93Very high84.4Confident21 Ų2173.2 Ų73.213%0.12738%0.377CS..Hα-helixtrans-58.6-45.4174.4168.40000111.5L63 L65 K71 I87 I96L63-V67 HydrophobicContact CG-CG2 4.49Å; L63-V67 WeakPolarHBondContact O-CB 3.41Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.07Å; L63-V67 PolarHBondContact O-N 2.88Å; L65-V67 PolarHBondContact O-N 2.89Å; V67-K71 HydrophobicContact CG1-CD 4.06Å; V67-K71 HydrophobicContact CG1-CG 4.3Å; V67-K71 WeakPolarHBondContact O-CB 3.24Å; V67-K71 VanDerWaalsContact O-CG 3.24Å; V67-K71 WeakPolarHBondContact O-CG 3.44Å; V67-K71 PolarHBondContact O-N 3.32Å; V67-I87 HydrophobicContact CG1-CD1 3.68Å; V67-I87 HydrophobicContact CG2-CD1 4.47Å; V67-I96 HydrophobicContact CG2-CB 4.4Å; V67-I96 HydrophobicContact CG2-CD1 3.96Å
68V94.2Very high86.1Confident71 Ų7169.3 Ų69.343%0.4335%0.345SS..Hα-helixtrans-62.8-48.4-178.8167.10000111.1K64 L65 E66 E72K64-V68 VanDerWaalsContact O-CG2 3.26Å; K64-V68 WeakPolarHBondContact O-CG2 3.45Å; K64-V68 PolarHBondContact O-N 3.31Å; L65-V68 PolarHBondContact O-N 2.78Å; E66-V68 PolarHBondContact O-N 2.94Å; V68-E72 PolarHBondContact O-N 3.19Å
69V96.2Very high88.2Confident0 Ų067.3 Ų67.30%033%0.331CS..Hα-helixtrans-64.5-51.7-179.3175.40000110L65 E66 K71 E72 L73 M142 Y147 F173L65-V69 HydrophobicContact CD1-CG2 4.05Å; L65-V69 HydrophobicContact CG-CG2 4.45Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 3.42Å; E66-V69 PolarHBondContact O-N 3.2Å; V69-K71 VanDerWaalsContact C-N 3.35Å; V69-K71 PolarHBondContact O-N 3.48Å; V69-E72 PolarHBondContact O-N 3Å; V69-E72 VanDerWaalsContact O-N 3.15Å; V69-L73 HydrophobicContact CG1-CD1 3.78Å; V69-L73 HydrophobicContact CG1-CG 4.25Å; V69-L73 WeakPolarHBondContact O-CG 3.39Å; V69-L73 PolarHBondContact O-N 3.07Å; V69-M142 HydrophobicContact CG1-CE 4.38Å; V69-Y147 HydrophobicContact CG2-CD1 3.9Å; V69-Y147 HydrophobicContact CG2-CE1 3.79Å; V69-F173 HydrophobicContact CB-CB 4.11Å; V69-F173 HydrophobicContact CB-CG 4.31Å; V69-F173 HydrophobicContact CG1-CB 4.08Å; V69-F173 HydrophobicContact CG1-CD1 3.64Å; V69-F173 HydrophobicContact CG1-CE1 4.24Å; V69-F173 HydrophobicContact CG1-CG 3.87Å
70L96.6Very high90.4Very high1 Ų162.4 Ų62.41%0.00530%0.304CS..Hα-helixtrans-65.6-36.9-175.2-168.760.4000112.2E66 E72 L73 N74 V81 C82 I84 I96 M98 F173E66-L70 VanDerWaalsContact O-CB 3.23Å; E66-L70 WeakPolarHBondContact O-CB 3.47Å; E66-L70 PolarHBondContact O-N 2.83Å; L70-E72 PolarHBondContact O-N 3.29Å; L70-L73 PolarHBondContact O-N 3.1Å; L70-N74 VanDerWaalsContact O-CB 3.3Å; L70-N74 WeakPolarHBondContact O-CB 2.72Å; L70-N74 VanDerWaalsContact O-CG 3.32Å; L70-N74 PolarHBondContact O-N 3.36Å; L70-N74 PolarHBondContact O-ND2 2.87Å; L70-V81 HydrophobicContact CD1-CB 3.89Å; L70-V81 HydrophobicContact CD1-CG2 4.42Å; L70-C82 VanDerWaalsContact CD1-O 3.3Å; L70-C82 WeakPolarHBondContact CD1-O 3.31Å; L70-C82 HydrophobicContact CD2-CB 4.48Å; L70-I84 HydrophobicContact CB-CD1 3.92Å; L70-I84 HydrophobicContact CB-CG1 4.42Å; L70-I84 HydrophobicContact CD2-CD1 4.02Å; L70-I84 HydrophobicContact CD2-CG1 3.63Å; L70-I84 HydrophobicContact CG-CD1 3.78Å; L70-I84 HydrophobicContact CG-CG1 3.75Å; L70-I96 HydrophobicContact CD2-CD1 4.12Å; L70-M98 HydrophobicContact CD2-SD 4.23Å; L70-F173 HydrophobicContact CB-CE2 4.46Å; L70-F173 HydrophobicContact CD1-CE2 3.75Å; L70-F173 HydrophobicContact CD1-CZ 4.19Å
71K96.9Very high92.5Very high111 Ų11159.4 Ų59.448%0.48329%0.292SS..Hα-helixtrans-59.2-45.8171.9-82.7-171.9179.3-170.30112.3V67 V69 N74 A75 I84 I87V67-K71 HydrophobicContact CG1-CD 4.06Å; V67-K71 HydrophobicContact CG1-CG 4.3Å; V67-K71 WeakPolarHBondContact O-CB 3.24Å; V67-K71 VanDerWaalsContact O-CG 3.24Å; V67-K71 WeakPolarHBondContact O-CG 3.44Å; V67-K71 PolarHBondContact O-N 3.32Å; V69-K71 VanDerWaalsContact C-N 3.35Å; V69-K71 PolarHBondContact O-N 3.48Å; K71-N74 PolarHBondContact O-N 2.92Å; K71-A75 VanDerWaalsContact O-CB 3.29Å; K71-A75 WeakPolarHBondContact O-CB 3.33Å; K71-A75 PolarHBondContact O-N 3.02Å; K71-I84 HydrophobicContact CB-CD1 4.37Å; K71-I84 HydrophobicContact CG-CD1 3.67Å; K71-I87 HydrophobicContact CD-CD1 4.28Å; K71-I87 HydrophobicContact CG-CD1 4.3Å
72E97.4Very high94.1Very high45 Ų4550.7 Ų50.721%0.2126%0.259CS..Hα-helixtrans-67.2-40.5-179.8-168.416816500110.9V68 V69 L70 A75 R76 Y147 K178V68-E72 PolarHBondContact O-N 3.19Å; V69-E72 PolarHBondContact O-N 3Å; V69-E72 VanDerWaalsContact O-N 3.15Å; L70-E72 PolarHBondContact O-N 3.29Å; E72-A75 PolarHBondContact O-N 3.21Å; E72-R76 WeakPolarHBondContact O-CB 3.1Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.2Å; E72-Y147 HydrophobicContact CB-CE2 4.35Å; E72-Y147 VanDerWaalsContact CD-CE2 3.5Å; E72-Y147 HydrophobicContact CG-CE2 4.22Å; E72-Y147 VanDerWaalsContact OE2-CE2 3.28Å; E72-Y147 WeakPolarHBondContact OE2-CE2 3.14Å; E72-Y147 VanDerWaalsContact OE2-CZ 3.3Å; E72-Y147 PolarHBondContact OE2-OH 2.89Å; E72-K178 VanDerWaalsContact CD-NZ 3.33Å; E72-K178 IonicContact OE1-NZ 3.75Å; E72-K178 PolarHBondContact OE1-NZ 2.87Å; E72-K178 IonicContact OE2-NZ 3.63Å; E72-K178 PolarHBondContact OE2-NZ 2.7Å
73L98.3Very high95.3Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-66-41.2176.3-64.2178.6000112.4V69 L70 R76 N77 A78 V81 M142 Y145 F173V69-L73 HydrophobicContact CG1-CD1 3.78Å; V69-L73 HydrophobicContact CG1-CG 4.25Å; V69-L73 WeakPolarHBondContact O-CG 3.39Å; V69-L73 PolarHBondContact O-N 3.07Å; L70-L73 PolarHBondContact O-N 3.1Å; L73-R76 CarbonylContact O-C 3.23Å; L73-R76 PolarHBondContact O-N 3.06Å; L73-N77 PolarHBondContact O-N 2.97Å; L73-A78 HydrophobicContact CB-CB 3.95Å; L73-A78 HydrophobicContact CD2-CB 4.31Å; L73-A78 WeakPolarHBondContact O-CB 3.27Å; L73-A78 PolarHBondContact O-N 3.38Å; L73-V81 HydrophobicContact CB-CG1 4.09Å; L73-V81 HydrophobicContact CB-CG2 4.28Å; L73-V81 HydrophobicContact CD1-CG1 3.79Å; L73-M142 HydrophobicContact CD1-CG 3.98Å; L73-M142 HydrophobicContact CD2-CG 4.28Å; L73-Y145 HydrophobicContact CD2-CD2 3.73Å; L73-F173 HydrophobicContact CD1-CE1 3.83Å; L73-F173 HydrophobicContact CD1-CZ 4.09Å
74N98.4Very high96Very high35 Ų3554.7 Ų54.719%0.18727%0.273CS..Hα-helixtrans-63.6-48174-80-162000111.8L70 K71 R76 N77 V81 C82 E83 I84L70-N74 VanDerWaalsContact O-CB 3.3Å; L70-N74 WeakPolarHBondContact O-CB 2.72Å; L70-N74 VanDerWaalsContact O-CG 3.32Å; L70-N74 PolarHBondContact O-N 3.36Å; L70-N74 PolarHBondContact O-ND2 2.87Å; K71-N74 PolarHBondContact O-N 2.92Å; N74-R76 PolarHBondContact O-N 3.44Å; N74-N77 PolarHBondContact O-N 3Å; N74-N77 PolarHBondContact O-OD1 3.4Å; N74-V81 WeakPolarHBondContact ND2-CG2 3.23Å; N74-C82 PolarHBondContact ND2-O 2.92Å; N74-E83 WeakPolarHBondContact OD1-CA 3.06Å; N74-I84 WeakPolarHBondContact OD1-CG1 3.26Å; N74-I84 PolarHBondContact OD1-N 3.03Å
75A98.1Very high96.4Very high84 Ų8449.4 Ų49.469%0.69425%0.253SS*.Hα-helixtrans-61.7-19.5178.800000113.4K71 E72K71-A75 VanDerWaalsContact O-CB 3.29Å; K71-A75 WeakPolarHBondContact O-CB 3.33Å; K71-A75 PolarHBondContact O-N 3.02Å; E72-A75 PolarHBondContact O-N 3.21Å
76R97.8Very high96.8Very high145 Ų14547.4 Ų47.455%0.54725%0.245SC..THydrogen-bonded Turntrans-102.27.3177.4-62-78.4-170.3163.42.4113.1E72 L73 N74 A78 Y145E72-R76 WeakPolarHBondContact O-CB 3.1Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.2Å; L73-R76 CarbonylContact O-C 3.23Å; L73-R76 PolarHBondContact O-N 3.06Å; N74-R76 PolarHBondContact O-N 3.44Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 2.95Å; R76-Y145 HydrophobicContact CB-CD1 4.27Å; R76-Y145 HydrophobicContact CB-CD2 4.04Å; R76-Y145 HydrophobicContact CB-CE1 3.85Å; R76-Y145 HydrophobicContact CB-CE2 3.56Å; R76-Y145 HydrophobicContact CB-CG 4.38Å; R76-Y145 VanDerWaalsContact CB-CZ 3.47Å; R76-Y145 HydrophobicContact CG-CD1 4.01Å; R76-Y145 HydrophobicContact CG-CD2 4.34Å; R76-Y145 HydrophobicContact CG-CE1 3.97Å; R76-Y145 HydrophobicContact CG-CE2 4.29Å; R76-Y145 HydrophobicContact CG-CG 4.22Å; R76-Y145 PolarHBondContact O-OH 3.39Å
77N97.2Very high97Very high143 Ų14350 Ų5077%0.76526%0.259SS*.THydrogen-bonded Turntrans50.746.9-177.4-58.4-20.6000112.9L73 N74L73-N77 PolarHBondContact O-N 2.97Å; N74-N77 PolarHBondContact O-N 3Å; N74-N77 PolarHBondContact O-OD1 3.4Å
78A98.4Very high96.9Very high13 Ų1349.9 Ų49.911%0.10726%0.262CS..  trans-59.6141.5174.200000111.1L73 R76 H80 V81 D141 Y145L73-A78 HydrophobicContact CB-CB 3.95Å; L73-A78 HydrophobicContact CD2-CB 4.31Å; L73-A78 WeakPolarHBondContact O-CB 3.27Å; L73-A78 PolarHBondContact O-N 3.38Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 2.95Å; A78-H80 PolarHBondContact O-N 3.43Å; A78-V81 HydrophobicContact CB-CG1 4.03Å; A78-V81 HydrophobicContact CB-CG2 3.94Å; A78-D141 HydrophobicContact CB-CB 4.05Å; A78-Y145 HydrophobicContact CB-CE2 4.32Å
79R98.1Very high96.7Very high95 Ų9553.3 Ų53.336%0.35827%0.271SS..THydrogen-bonded Turntrans-68.7-36.9-164.3-69.6171.7-78.7-178.9-4.4114.6E137 E140 D141R79-E137 VanDerWaalsContact NH1-CG 3.32Å; R79-E137 IonicContact NH1-OE1 3.53Å; R79-E137 PolarHBondContact NH2-O 3.42Å; R79-E140 IonicContact CZ-OE2 3.67Å; R79-E140 IonicContact NH1-OE2 2.91Å; R79-E140 IonicContact NH2-OE2 3.95Å; R79-E140 PolarHBondContact NH2-OE2 2.97Å; R79-D141 WeakPolarHBondContact CB-OD2 3.42Å; R79-D141 WeakPolarHBondContact CG-OD2 3.4Å; R79-D141 IonicContact CZ-OD1 3.85Å; R79-D141 IonicContact CZ-OD2 3.82Å; R79-D141 PolarHBondContact N-OD2 2.8Å; R79-D141 IonicContact NE-OD1 3.73Å; R79-D141 PolarHBondContact NE-OD1 3.19Å; R79-D141 IonicContact NE-OD2 3.95Å; R79-D141 PolarHBondContact NE-OD2 2.55Å; R79-D141 VanDerWaalsContact NE-OD2 3.08Å; R79-D141 IonicContact NH2-OD1 2.74Å; R79-D141 PolarHBondContact NH2-OD1 3.08Å; R79-D141 IonicContact NH2-OD2 2.87Å
80H98.5Very high96.4Very high15 Ų1556.2 Ų56.27%0.06928%0.284CS..THydrogen-bonded Turntrans-126.741.9-163.5-64.9-66.2000112.3A78 C134 E137 A138 V168 F169 I170A78-H80 PolarHBondContact O-N 3.43Å; H80-C134 PolarHBondContact CD2-O 3.48Å; H80-C134 VanDerWaalsContact CE1-CB 3.46Å; H80-C134 WeakPolarHBondContact CE1-CB 3.47Å; H80-E137 IonicContact CD2-OE2 3.45Å; H80-E137 IonicContact CE1-OE2 2.71Å; H80-E137 IonicContact NE2-OE2 2.94Å; H80-E137 PolarHBondContact NE2-OE2 3.01Å; H80-A138 HydrophobicContact CB-CB 3.65Å; H80-V168 VanDerWaalsContact CA-O 3.31Å; H80-V168 WeakPolarHBondContact CA-O 3.44Å; H80-V168 WeakPolarHBondContact CB-O 3.46Å; H80-V168 PolarHBondContact ND1-O 3.14Å; H80-V168 VanDerWaalsContact ND1-O 3.14Å; H80-F169 CarbonylContact O-C 3.59Å; H80-F169 WeakPolarHBondContact O-CA 3.46Å; H80-I170 WeakPolarHBondContact O-CG2 3.34Å; H80-I170 PolarHBondContact O-N 2.7Å
81V98.2Very high95.9Very high9 Ų964.9 Ų64.96%0.05533%0.325CS..BIsolated β-bridgetrans-120.9152.3-179.4-61.20000111.4L70 L73 N74 A78 I170 F173L70-V81 HydrophobicContact CD1-CB 3.89Å; L70-V81 HydrophobicContact CD1-CG2 4.42Å; L73-V81 HydrophobicContact CB-CG1 4.09Å; L73-V81 HydrophobicContact CB-CG2 4.28Å; L73-V81 HydrophobicContact CD1-CG1 3.79Å; N74-V81 WeakPolarHBondContact ND2-CG2 3.23Å; A78-V81 HydrophobicContact CB-CG1 4.03Å; A78-V81 HydrophobicContact CB-CG2 3.94Å; V81-I170 HydrophobicContact CG1-CG2 4.07Å; V81-F173 HydrophobicContact CG1-CZ 4.39Å
82C97.7Very high95.4Very high2 Ų262.6 Ų62.61%0.01432%0.323CS..PPolyproline II helixtrans-66.9140.2172.3-63.80000109.9L70 N74 M98L70-C82 VanDerWaalsContact CD1-O 3.3Å; L70-C82 WeakPolarHBondContact CD1-O 3.31Å; L70-C82 HydrophobicContact CD2-CB 4.48Å; N74-C82 PolarHBondContact ND2-O 2.92Å; C82-M98 HydrophobicContact CB-CB 4.18Å; C82-M98 HydrophobicContact CB-CG 4.21Å; C82-M98 HydrophobicContact CB-SD 4.07Å
83E97Very high95Very high106 Ų10661.4 Ų61.450%0.49532%0.317SS..PPolyproline II helixtrans-79.3135172.6-64.6177.9-173.700109.5N74 M98 T99N74-E83 WeakPolarHBondContact OD1-CA 3.06Å; E83-M98 CarbonylContact O-C 3.58Å; E83-M98 WeakPolarHBondContact O-CA 3.21Å; E83-M98 WeakPolarHBondContact O-CB 3.31Å; E83-T99 PolarHBondContact N-OG1 2.62Å; E83-T99 PolarHBondContact O-N 3.05Å
84I97.1Very high94.7Very high41 Ų4162.4 Ų62.421%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-83.2119.9173.7-61.6177.6000108.7L70 K71 N74 I87 I96L70-I84 HydrophobicContact CB-CD1 3.92Å; L70-I84 HydrophobicContact CB-CG1 4.42Å; L70-I84 HydrophobicContact CD2-CD1 4.02Å; L70-I84 HydrophobicContact CD2-CG1 3.63Å; L70-I84 HydrophobicContact CG-CD1 3.78Å; L70-I84 HydrophobicContact CG-CG1 3.75Å; K71-I84 HydrophobicContact CB-CD1 4.37Å; K71-I84 HydrophobicContact CG-CD1 3.67Å; N74-I84 WeakPolarHBondContact OD1-CG1 3.26Å; N74-I84 PolarHBondContact OD1-N 3.03Å; I84-I87 HydrophobicContact CD1-CD1 4.3Å; I84-I87 HydrophobicContact CG2-CD1 3.73Å; I84-I87 HydrophobicContact CG2-CG1 3.76Å; I84-I96 HydrophobicContact CD1-CD1 4.1Å; I84-I96 HydrophobicContact CG1-CD1 4.08Å; I84-I96 HydrophobicContact CG2-CG1 4.4Å
85V96.5Very high94.4Very high39 Ų3961.1 Ų61.124%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-93.9-33.8177.4-179.80000111.4R22 E49 V97R22-V85 VanDerWaalsContact NH2-CG1 3.29Å; E49-V85 HydrophobicContact CG-CG2 4.21Å; V85-V97 HydrophobicContact CB-CB 4.32Å; V85-V97 HydrophobicContact CB-CG1 4.1Å; V85-V97 HydrophobicContact CG1-CG1 4.44Å; V85-V97 PolarHBondContact N-O 3.21Å
86G96Very high94.3Very high11 Ų1157.1 Ų57.111%0.11328%0.283CS..EExtended strand (participates in β ladder)trans-165.4151.5-177.900000112.8I96 V97G86-I96 CarbonylContact O-C 3.41Å; G86-I96 WeakPolarHBondContact O-CA 3.24Å; G86-V97 PolarHBondContact N-O 2.89Å; G86-V97 PolarHBondContact O-N 2.85Å
87I94.8Very high94.3Very high64 Ų6450.2 Ų50.233%0.32826%0.257SS..EExtended strand (participates in β ladder)trans-139.5139.7173.5-63.6160.4000107.1V67 K71 I84 Y95 I96V67-I87 HydrophobicContact CG1-CD1 3.68Å; V67-I87 HydrophobicContact CG2-CD1 4.47Å; K71-I87 HydrophobicContact CD-CD1 4.28Å; K71-I87 HydrophobicContact CG-CD1 4.3Å; I84-I87 HydrophobicContact CD1-CD1 4.3Å; I84-I87 HydrophobicContact CG2-CD1 3.73Å; I84-I87 HydrophobicContact CG2-CG1 3.76Å; I87-Y95 WeakPolarHBondContact CA-O 3.22Å; I87-I96 HydrophobicContact CG1-CB 4.38Å; I87-I96 HydrophobicContact CG1-CD1 4.45Å; I87-I96 HydrophobicContact CG1-CG1 3.97Å
88G92.2Very high94.3Very high18 Ų1843.8 Ų43.819%0.18622%0.222CC..EExtended strand (participates in β ladder)trans-153.7168.8173.200000113.2Y95G88-Y95 VanDerWaalsContact CA-CZ 3.46Å; G88-Y95 PolarHBondContact N-O 3.12Å; G88-Y95 VanDerWaalsContact N-O 3.07Å; G88-Y95 PolarHBondContact O-N 3.06Å
89K90.1Very high94.2Very high142 Ų14244.3 Ų44.362%0.61722%0.224SC*.EExtended strand (participates in β ladder)trans-135.7116.9178.9176176.4-179.4-172.20107.8
90Q89.1Confident94.2Very high62 Ų6240.2 Ų40.229%0.2921%0.209SC..  trans-102.6169.8169.3-59.9-53.6-33.600109.8E20 Q56 S92 Y93E20-Q90 PolarHBondContact OE1-NE2 2.9Å; Q56-Q90 PolarHBondContact NE2-O 3.43Å; Q90-S92 VanDerWaalsContact C-N 3.29Å; Q90-S92 PolarHBondContact O-N 2.84Å; Q90-Y93 CarbonylContact C-O 3.44Å; Q90-Y93 HydrophobicContact CB-CD1 3.86Å; Q90-Y93 HydrophobicContact CB-CE1 3.52Å; Q90-Y93 HydrophobicContact CB-CE2 4.44Å; Q90-Y93 HydrophobicContact CB-CG 4.44Å; Q90-Y93 HydrophobicContact CG-CD1 4.34Å; Q90-Y93 HydrophobicContact CG-CE1 3.58Å; Q90-Y93 HydrophobicContact CG-CE2 4.01Å; Q90-Y93 WeakPolarHBondContact CG-OH 3.4Å; Q90-Y93 PolarHBondContact N-O 3.32Å
91E85.7Confident94.1Very high183 Ų18339.5 Ų39.586%0.85521%0.206SC*.SBendtrans-54-42-179.1-171.8176.6-176.100113.2Q56Q56-E91 WeakPolarHBondContact CG-O 3.47Å; Q56-E91 PolarHBondContact NE2-O 3.47Å; Q56-E91 PolarHBondContact OE1-O 3.11Å
92S87Confident94.1Very high63 Ų6339.2 Ų39.244%0.44121%0.205SC..SBendtrans-100.8-15.1-174.455.90000115Q56 Q90Q56-S92 PolarHBondContact N-O 2.93Å; Q90-S92 VanDerWaalsContact C-N 3.29Å; Q90-S92 PolarHBondContact O-N 2.84Å
93Y90Very high94Very high20 Ų2040.2 Ų40.28%0.07821%0.211CC..EExtended strand (participates in β ladder)trans-152.8157.6-178.368.7-80.1000113.5L12 F13 I53 E54 Q90 Y95L12-Y93 HydrophobicContact CD2-CD1 3.54Å; L12-Y93 HydrophobicContact CD2-CD2 4.3Å; L12-Y93 HydrophobicContact CD2-CE1 3.96Å; L12-Y93 HydrophobicContact CD2-CG 3.74Å; F13-Y93 HydrophobicContact CE2-CE2 4.31Å; F13-Y93 AromaticContact CZ-CE1 3.93Å; F13-Y93 HydrophobicContact CZ-CE1 3.93Å; F13-Y93 AromaticContact CZ-CE2 3.86Å; F13-Y93 HydrophobicContact CZ-CE2 3.86Å; F13-Y93 AromaticContact CZ-CZ 3.47Å; F13-Y93 VanDerWaalsContact CZ-CZ 3.47Å; F13-Y93 WeakPolarHBondContact CZ-OH 3.36Å; I53-Y93 HydrophobicContact CB-CD2 4.3Å; I53-Y93 HydrophobicContact CG2-CD2 4.23Å; E54-Y93 VanDerWaalsContact O-CA 3.31Å; E54-Y93 WeakPolarHBondContact O-CA 3.43Å; E54-Y93 WeakPolarHBondContact O-CB 3.41Å; Q90-Y93 CarbonylContact C-O 3.44Å; Q90-Y93 HydrophobicContact CB-CD1 3.86Å; Q90-Y93 HydrophobicContact CB-CE1 3.52Å; Q90-Y93 HydrophobicContact CB-CE2 4.44Å; Q90-Y93 HydrophobicContact CB-CG 4.44Å; Q90-Y93 HydrophobicContact CG-CD1 4.34Å; Q90-Y93 HydrophobicContact CG-CE1 3.58Å; Q90-Y93 HydrophobicContact CG-CE2 4.01Å; Q90-Y93 WeakPolarHBondContact CG-OH 3.4Å; Q90-Y93 PolarHBondContact N-O 3.32Å; Y93-Y95 HydrophobicContact CD2-CD1 4.19Å; Y93-Y95 AromaticContact CE2-CD1 3.62Å; Y93-Y95 HydrophobicContact CE2-CD1 3.62Å; Y93-Y95 HydrophobicContact CE2-CE1 4.42Å; Y93-Y95 HydrophobicContact CE2-CG 4.3Å
94C91Very high94Very high20 Ų2035.4 Ų35.414%0.13519%0.189CC..EExtended strand (participates in β ladder)trans-108.3154.5165.1-66.30000109.4I53 E54 L63I53-C94 VanDerWaalsContact CA-O 3.27Å; I53-C94 WeakPolarHBondContact CA-O 3.23Å; E54-C94 PolarHBondContact N-O 3.11Å; E54-C94 PolarHBondContact O-N 2.82Å; L63-C94 HydrophobicContact CD2-CB 4.01Å
95Y93Very high94.1Very high9 Ų933.5 Ų33.54%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-144.3155.6176.970.7-87.8000113.2V19 E20 W23 M51 K52 I87 G88 Y93 V97V19-Y95 HydrophobicContact CG1-CE1 4.27Å; E20-Y95 VanDerWaalsContact CG-OH 3.27Å; E20-Y95 WeakPolarHBondContact CG-OH 3.49Å; W23-Y95 HydrophobicContact CE3-CE2 4.21Å; W23-Y95 HydrophobicContact CH2-CE2 4.16Å; W23-Y95 AromaticContact CZ3-CE2 3.7Å; W23-Y95 HydrophobicContact CZ3-CE2 3.7Å; W23-Y95 AromaticContact CZ3-CZ 3.93Å; W23-Y95 WeakPolarHBondContact CZ3-OH 3.28Å; M51-Y95 HydrophobicContact CG-CD2 4.32Å; M51-Y95 HydrophobicContact SD-CD2 4.29Å; M51-Y95 HydrophobicContact SD-CG 4.44Å; K52-Y95 CarbonylContact O-C 3.42Å; K52-Y95 VanDerWaalsContact O-CA 3.24Å; K52-Y95 WeakPolarHBondContact O-CA 3.3Å; I87-Y95 WeakPolarHBondContact CA-O 3.22Å; G88-Y95 VanDerWaalsContact CA-CZ 3.46Å; G88-Y95 PolarHBondContact N-O 3.12Å; G88-Y95 VanDerWaalsContact N-O 3.07Å; G88-Y95 PolarHBondContact O-N 3.06Å; Y93-Y95 HydrophobicContact CD2-CD1 4.19Å; Y93-Y95 AromaticContact CE2-CD1 3.62Å; Y93-Y95 HydrophobicContact CE2-CD1 3.62Å; Y93-Y95 HydrophobicContact CE2-CE1 4.42Å; Y93-Y95 HydrophobicContact CE2-CG 4.3Å; Y95-V97 HydrophobicContact CD2-CG2 3.87Å; Y95-V97 HydrophobicContact CE2-CG2 4.02Å
96I94.9Very high94.1Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-130.1132.1167.4-176.2172.5000107.8M51 K52 L63 V67 L70 I84 G86 I87 M98M51-I96 CarbonylContact C-O 3.58Å; M51-I96 WeakPolarHBondContact CA-O 3.38Å; K52-I96 HydrophobicContact CB-CG2 3.86Å; K52-I96 PolarHBondContact N-O 3.43Å; K52-I96 PolarHBondContact O-N 3.19Å; L63-I96 HydrophobicContact CD1-CG2 3.73Å; V67-I96 HydrophobicContact CG2-CB 4.4Å; V67-I96 HydrophobicContact CG2-CD1 3.96Å; L70-I96 HydrophobicContact CD2-CD1 4.12Å; I84-I96 HydrophobicContact CD1-CD1 4.1Å; I84-I96 HydrophobicContact CG1-CD1 4.08Å; I84-I96 HydrophobicContact CG2-CG1 4.4Å; G86-I96 CarbonylContact O-C 3.41Å; G86-I96 WeakPolarHBondContact O-CA 3.24Å; I87-I96 HydrophobicContact CG1-CB 4.38Å; I87-I96 HydrophobicContact CG1-CD1 4.45Å; I87-I96 HydrophobicContact CG1-CG1 3.97Å; I96-M98 HydrophobicContact CB-CE 4.3Å; I96-M98 HydrophobicContact CD1-CE 3.81Å; I96-M98 HydrophobicContact CG1-CE 3.94Å; I96-M98 HydrophobicContact CG2-CE 3.41Å; I96-M98 VanDerWaalsContact CG2-CE 3.41Å
97V97.2Very high94.1Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-105.3126.2170.7-171.10000107.4W23 V40 E49 A50 M51 V85 G86 Y95W23-V97 HydrophobicContact CD2-CG2 3.87Å; W23-V97 HydrophobicContact CE3-CG2 4.28Å; W23-V97 HydrophobicContact CG-CG2 4.25Å; W23-V97 HydrophobicContact CH2-CG2 4.45Å; W23-V97 HydrophobicContact CZ2-CB 4.38Å; W23-V97 HydrophobicContact CZ2-CG2 4.05Å; V40-V97 HydrophobicContact CG2-CG1 4.13Å; E49-V97 HydrophobicContact CB-CG1 3.6Å; E49-V97 HydrophobicContact CG-CG1 4.27Å; A50-V97 WeakPolarHBondContact O-CA 3.36Å; M51-V97 HydrophobicContact CB-CG2 4.15Å; M51-V97 HydrophobicContact CG-CG2 3.97Å; V85-V97 HydrophobicContact CB-CB 4.32Å; V85-V97 HydrophobicContact CB-CG1 4.1Å; V85-V97 HydrophobicContact CG1-CG1 4.44Å; V85-V97 PolarHBondContact N-O 3.21Å; G86-V97 PolarHBondContact N-O 2.89Å; G86-V97 PolarHBondContact O-N 2.85Å; Y95-V97 HydrophobicContact CD2-CG2 3.87Å; Y95-V97 HydrophobicContact CE2-CG2 4.02Å
98M97.4Very high94.2Very high8 Ų830.1 Ų30.14%0.03916%0.158CC..EExtended strand (participates in β ladder)trans-145170.7-176.872.1-175.882.700111.8A50 K52 L70 C82 E83 I96 L100 M335A50-M98 HydrophobicContact CB-CG 4.44Å; A50-M98 PolarHBondContact N-O 3.01Å; A50-M98 PolarHBondContact O-N 2.94Å; K52-M98 HydrophobicContact CB-CE 4.5Å; L70-M98 HydrophobicContact CD2-SD 4.23Å; C82-M98 HydrophobicContact CB-CB 4.18Å; C82-M98 HydrophobicContact CB-CG 4.21Å; C82-M98 HydrophobicContact CB-SD 4.07Å; E83-M98 CarbonylContact O-C 3.58Å; E83-M98 WeakPolarHBondContact O-CA 3.21Å; E83-M98 WeakPolarHBondContact O-CB 3.31Å; I96-M98 HydrophobicContact CB-CE 4.3Å; I96-M98 HydrophobicContact CD1-CE 3.81Å; I96-M98 HydrophobicContact CG1-CE 3.94Å; I96-M98 HydrophobicContact CG2-CE 3.41Å; I96-M98 VanDerWaalsContact CG2-CE 3.41Å; M98-L100 PolarHBondContact O-N 3.31Å; M98-M335 HydrophobicContact CG-CE 4.38Å; M98-M335 HydrophobicContact SD-CE 4.09Å
99T97.1Very high94.5Very high24 Ų2429.2 Ų29.215%0.14715%0.149CC..EExtended strand (participates in β ladder)trans-43.2127.1175.5-52.20000112.5E49 E83 V101 F169E49-T99 VanDerWaalsContact OE2-CA 3.3Å; E49-T99 WeakPolarHBondContact OE2-CA 3.48Å; E83-T99 PolarHBondContact N-OG1 2.62Å; E83-T99 PolarHBondContact O-N 3.05Å; T99-V101 PolarHBondContact O-N 2.89Å; T99-F169 HydrophobicContact CG2-CE1 4Å; T99-F169 HydrophobicContact CG2-CZ 4.05Å
100L97.2Very high94.7Very high9 Ų927.1 Ų27.15%0.04714%0.141CC..  trans-84.2109.7173.1-176.461.4000111.5L29 E39 M48 A50 M98 R161L29-L100 HydrophobicContact CD1-CD1 3.51Å; E39-L100 HydrophobicContact CG-CD2 3.79Å; E39-L100 WeakPolarHBondContact OE1-CD2 3.39Å; M48-L100 HydrophobicContact CB-CD2 3.79Å; M48-L100 WeakPolarHBondContact O-CB 3.47Å; A50-L100 HydrophobicContact CB-CB 4.39Å; A50-L100 HydrophobicContact CB-CD1 3.81Å; M98-L100 PolarHBondContact O-N 3.31Å; L100-R161 VanDerWaalsContact CG-NH2 3.3Å; L100-R161 WeakPolarHBondContact O-CD 3.34Å
101V97.4Very high95.1Very high0 Ų025.4 Ų25.40%014%0.136CC..  trans-87.5169.6-175.5-50.90000113.5T99 R161 F169 L171 H333 M335T99-V101 PolarHBondContact O-N 2.89Å; V101-R161 PolarHBondContact O-NE 3.45Å; V101-R161 PolarHBondContact O-NH2 3.45Å; V101-F169 HydrophobicContact CB-CD2 4.38Å; V101-F169 HydrophobicContact CG1-CB 3.93Å; V101-F169 HydrophobicContact CG1-CD1 4.2Å; V101-F169 HydrophobicContact CG1-CD2 3.8Å; V101-F169 HydrophobicContact CG1-CE2 4.38Å; V101-F169 HydrophobicContact CG1-CG 3.7Å; V101-L171 HydrophobicContact CG1-CD2 4.32Å; V101-L171 HydrophobicContact CG2-CD1 4.21Å; V101-H333 HydrophobicContact CG2-CB 4.04Å; V101-M335 HydrophobicContact CB-SD 4.43Å; V101-M335 HydrophobicContact CG1-CE 4.27Å; V101-M335 HydrophobicContact CG1-SD 4.49Å; V101-M335 HydrophobicContact CG2-CE 4.16Å; V101-M335 HydrophobicContact CG2-SD 3.31Å; V101-M335 WeakPolarHBondContact CG2-SD 3.5Å
102G97Very high95.6Very high3 Ų316.7 Ų16.73%0.03110%0.096CC..  trans-85.5-153.9174.600000113.3I159 H333G102-I159 WeakPolarHBondContact CA-O 3.44Å; G102-I159 PolarHBondContact N-O 3.35Å; G102-H333 VanDerWaalsContact O-CB 3.27Å; G102-H333 WeakPolarHBondContact O-CB 3.27Å; G102-H333 PolarHBondContact O-N 2.91Å
103P96.8Very high96Very high23 Ų2321.1 Ų21.115%0.14910%0.103CC..BIsolated β-bridgetrans-59.6148.8175.5-26.837000113.7S107 M108 S158 I159 A330P103-S107 WeakPolarHBondContact CB-OG 3.33Å; P103-M108 HydrophobicContact CB-CG 3.72Å; P103-M108 HydrophobicContact CB-SD 4.41Å; P103-S158 VanDerWaalsContact O-CA 3.29Å; P103-S158 WeakPolarHBondContact O-CA 3.41Å; P103-S158 WeakPolarHBondContact O-CB 3.09Å; P103-I159 PolarHBondContact O-N 3.5Å; P103-A330 HydrophobicContact CB-CB 3.88Å; P103-A330 HydrophobicContact CG-CB 4.01Å; P103-A330 WeakPolarHBondContact CG-O 3.47Å
104S97.5Very high96.2Very high5 Ų525.1 Ų25.14%0.03513%0.134CC..BIsolated β-bridgetrans-78.8162.9169.562.90000111.1Q106 S107 M108 Y157 S158S104-Q106 PolarHBondContact O-N 3.35Å; S104-S107 PolarHBondContact N-OG 3.07Å; S104-S107 PolarHBondContact O-N 2.62Å; S104-S107 PolarHBondContact O-OG 2.92Å; S104-S107 PolarHBondContact OG-N 3.35Å; S104-S107 PolarHBondContact OG-OG 3.21Å; S104-M108 WeakPolarHBondContact O-CG 3.47Å; S104-M108 PolarHBondContact O-N 3.07Å; S104-Y157 CarbonylContact C-O 3.51Å; S104-Y157 VanDerWaalsContact CA-O 3.22Å; S104-Y157 WeakPolarHBondContact CA-O 3.39Å; S104-Y157 WeakPolarHBondContact CB-O 2.96Å; S104-S158 WeakPolarHBondContact CA-OG 3.44Å
105F98.1Very high96.3Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-59.5-38.2172.4-58.3-2.3000110.1M108 L109 F123 L131 P154 Y157 I159 V168 M224F105-M108 HydrophobicContact CD1-CE 3.83Å; F105-L109 WeakPolarHBondContact O-CB 3.14Å; F105-L109 VanDerWaalsContact O-CG 3.25Å; F105-L109 WeakPolarHBondContact O-CG 3.5Å; F105-L109 PolarHBondContact O-N 2.91Å; F105-F123 HydrophobicContact CB-CE2 4.46Å; F105-F123 HydrophobicContact CB-CZ 4.44Å; F105-L131 HydrophobicContact CD1-CD1 4.02Å; F105-L131 HydrophobicContact CD1-CD2 4.07Å; F105-L131 HydrophobicContact CD2-CD1 4.36Å; F105-L131 HydrophobicContact CE1-CB 4.4Å; F105-L131 HydrophobicContact CE1-CD1 4.13Å; F105-L131 HydrophobicContact CE1-CD2 3.39Å; F105-L131 HydrophobicContact CE1-CG 4.16Å; F105-L131 HydrophobicContact CE2-CB 3.89Å; F105-L131 HydrophobicContact CE2-CD1 4.42Å; F105-L131 HydrophobicContact CE2-CD2 4.41Å; F105-L131 HydrophobicContact CE2-CG 4.45Å; F105-L131 HydrophobicContact CG-CD1 4.16Å; F105-L131 HydrophobicContact CZ-CB 3.82Å; F105-L131 HydrophobicContact CZ-CD1 4.31Å; F105-L131 HydrophobicContact CZ-CD2 3.58Å; F105-L131 HydrophobicContact CZ-CG 4.08Å; F105-P154 HydrophobicContact CB-CB 3.88Å; F105-P154 WeakPolarHBondContact CB-O 3.11Å; F105-P154 PolarHBondContact N-O 3.35Å; F105-Y157 HydrophobicContact CD2-CG 4.45Å; F105-Y157 VanDerWaalsContact CE2-CB 3.44Å; F105-Y157 HydrophobicContact CE2-CD1 4.49Å; F105-Y157 HydrophobicContact CE2-CD2 4.47Å; F105-Y157 AromaticContact CE2-CG 3.92Å; F105-Y157 HydrophobicContact CE2-CG 3.92Å; F105-Y157 VanDerWaalsContact CZ-CB 3.43Å; F105-Y157 HydrophobicContact CZ-CD1 4.42Å; F105-Y157 HydrophobicContact CZ-CG 4.12Å; F105-Y157 PolarHBondContact N-O 2.9Å; F105-I159 HydrophobicContact CE1-CG2 4.38Å; F105-V168 HydrophobicContact CE1-CG1 4.05Å; F105-V168 HydrophobicContact CE1-CG2 4.26Å; F105-V168 HydrophobicContact CZ-CG1 3.64Å; F105-V168 HydrophobicContact CZ-CG2 4.16Å; F105-M224 HydrophobicContact CD2-SD 4.32Å; F105-M224 HydrophobicContact CE2-CE 4.48Å
106Q97Very high96.5Very high30 Ų3030.7 Ų30.714%0.1416%0.156CC..Hα-helixtrans-62.8-43.8177-17755.963.800113S104 L109 Q110 P154 Q155S104-Q106 PolarHBondContact O-N 3.35Å; Q106-L109 PolarHBondContact O-N 3.37Å; Q106-Q110 WeakPolarHBondContact O-CB 3.29Å; Q106-Q110 PolarHBondContact O-N 3.49Å; Q106-P154 HydrophobicContact CB-CB 4.03Å; Q106-P154 PolarHBondContact N-O 3.24Å; Q106-P154 VanDerWaalsContact N-O 3.14Å; Q106-Q155 HydrophobicContact CB-CG 4.03Å; Q106-Q155 HydrophobicContact CG-CG 4.07Å
107S96Very high96.3Very high12 Ų1236.7 Ų36.78%0.08420%0.195CC..Hα-helixtrans-71.3-35.7-179.2670000111.9P103 S104 Q110 S111 P331P103-S107 WeakPolarHBondContact CB-OG 3.33Å; S104-S107 PolarHBondContact N-OG 3.07Å; S104-S107 PolarHBondContact O-N 2.62Å; S104-S107 PolarHBondContact O-OG 2.92Å; S104-S107 PolarHBondContact OG-N 3.35Å; S104-S107 PolarHBondContact OG-OG 3.21Å; S107-Q110 PolarHBondContact O-N 2.91Å; S107-S111 PolarHBondContact O-N 2.94Å; S107-P331 PolarHBondContact OG-O 2.99Å
108M97.5Very high96.1Very high1 Ų141.5 Ų41.51%0.00522%0.221CC..Hα-helixtrans-63.4-47.7170.4-67.7-171.5-7200111.6P103 S104 F105 Q110 S111 L112 F123 L131 I159 W317 A330P103-M108 HydrophobicContact CB-CG 3.72Å; P103-M108 HydrophobicContact CB-SD 4.41Å; S104-M108 WeakPolarHBondContact O-CG 3.47Å; S104-M108 PolarHBondContact O-N 3.07Å; F105-M108 HydrophobicContact CD1-CE 3.83Å; M108-Q110 PolarHBondContact O-N 3.27Å; M108-S111 PolarHBondContact O-N 2.52Å; M108-S111 PolarHBondContact O-OG 3.29Å; M108-L112 WeakPolarHBondContact O-CG 3.28Å; M108-L112 PolarHBondContact O-N 3.29Å; M108-F123 HydrophobicContact CB-CE1 3.6Å; M108-F123 HydrophobicContact CB-CZ 3.64Å; M108-F123 HydrophobicContact CE-CE1 3.98Å; M108-F123 HydrophobicContact CE-CZ 3.9Å; M108-F123 HydrophobicContact CG-CE1 4.44Å; M108-F123 HydrophobicContact SD-CE1 4.06Å; M108-F123 HydrophobicContact SD-CZ 4.47Å; M108-L131 HydrophobicContact CE-CD1 4.46Å; M108-I159 HydrophobicContact CE-CD1 4.44Å; M108-I159 HydrophobicContact CE-CG1 4.29Å; M108-I159 HydrophobicContact CE-CG2 3.74Å; M108-I159 HydrophobicContact SD-CD1 3.87Å; M108-I159 HydrophobicContact SD-CG1 4.29Å; M108-I159 HydrophobicContact SD-CG2 4.47Å; M108-W317 HydrophobicContact CE-CZ3 4.43Å; M108-W317 HydrophobicContact SD-CD2 4.34Å; M108-W317 HydrophobicContact SD-CE3 3.85Å; M108-W317 HydrophobicContact SD-CZ3 4.32Å; M108-A330 HydrophobicContact CB-CB 4.36Å; M108-A330 HydrophobicContact CG-CB 3.81Å
109L97.2Very high95.8Very high0 Ų042.9 Ų42.90%024%0.237CC..Hα-helixtrans-58.3-32.4174.2-74.7175.1000112.8F105 Q106 T121 F123 P154 I228F105-L109 WeakPolarHBondContact O-CB 3.14Å; F105-L109 VanDerWaalsContact O-CG 3.25Å; F105-L109 WeakPolarHBondContact O-CG 3.5Å; F105-L109 PolarHBondContact O-N 2.91Å; Q106-L109 PolarHBondContact O-N 3.37Å; L109-T121 WeakPolarHBondContact CD2-O 3.43Å; L109-T121 WeakPolarHBondContact O-CB 3.3Å; L109-T121 VanDerWaalsContact O-CG2 3.31Å; L109-T121 WeakPolarHBondContact O-CG2 3.34Å; L109-T121 PolarHBondContact O-OG1 2.95Å; L109-F123 HydrophobicContact CD1-CE2 4.25Å; L109-F123 HydrophobicContact CD2-CD2 3.65Å; L109-F123 HydrophobicContact CD2-CE2 3.46Å; L109-F123 VanDerWaalsContact CD2-CE2 3.46Å; L109-F123 HydrophobicContact CD2-CG 4.48Å; L109-F123 HydrophobicContact CD2-CZ 4.14Å; L109-F123 HydrophobicContact CG-CD2 4.24Å; L109-F123 HydrophobicContact CG-CE2 3.53Å; L109-F123 HydrophobicContact CG-CZ 3.98Å; L109-P154 HydrophobicContact CD1-CB 4.49Å; L109-I228 HydrophobicContact CD1-CG2 4.19Å
110Q95.9Very high95.7Very high97 Ų9742.1 Ų42.145%0.45323%0.233SC..Hα-helixtrans-72.6-36176.6-176.9167.816.400112.3Q106 S107 M108 L112 R113Q106-Q110 WeakPolarHBondContact O-CB 3.29Å; Q106-Q110 PolarHBondContact O-N 3.49Å; S107-Q110 PolarHBondContact O-N 2.91Å; M108-Q110 PolarHBondContact O-N 3.27Å; Q110-L112 PolarHBondContact O-N 3.49Å; Q110-R113 WeakPolarHBondContact O-CB 3.4Å; Q110-R113 VanDerWaalsContact O-CG 3.24Å; Q110-R113 WeakPolarHBondContact O-CG 3.21Å; Q110-R113 PolarHBondContact O-N 3.15Å
111S96.2Very high95.7Very high27 Ų2742 Ų4219%0.18923%0.232CC..Hα-helixtrans-68.5-19.3177.280.40000112.8S107 M108 R113 A326S107-S111 PolarHBondContact O-N 2.94Å; M108-S111 PolarHBondContact O-N 2.52Å; M108-S111 PolarHBondContact O-OG 3.29Å; S111-R113 VanDerWaalsContact C-N 3.32Å; S111-R113 PolarHBondContact O-N 3.49Å; S111-A326 VanDerWaalsContact CB-O 3.22Å; S111-A326 WeakPolarHBondContact CB-O 3.4Å; S111-A326 PolarHBondContact OG-O 2.85Å
112L96.7Very high95.7Very high0 Ų046.2 Ų46.20%025%0.248CC..G310 helixtrans-79.5-3.4175-61.5177.9000114.7M108 Q110 S114 K115 F116 T121 R122 F123 H323 A326 T327M108-L112 WeakPolarHBondContact O-CG 3.28Å; M108-L112 PolarHBondContact O-N 3.29Å; Q110-L112 PolarHBondContact O-N 3.49Å; L112-S114 PolarHBondContact O-N 3.25Å; L112-S114 VanDerWaalsContact O-N 3.11Å; L112-K115 WeakPolarHBondContact O-CB 3.33Å; L112-K115 PolarHBondContact O-N 3.06Å; L112-F116 HydrophobicContact CB-CD2 4.04Å; L112-F116 HydrophobicContact CB-CE2 4.12Å; L112-F116 HydrophobicContact CD1-CE2 4.43Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 2.98Å; L112-T121 HydrophobicContact CB-CG2 4.26Å; L112-R122 WeakPolarHBondContact CD1-O 3.5Å; L112-F123 HydrophobicContact CD1-CD1 4.46Å; L112-H323 HydrophobicContact CD2-CB 3.5Å; L112-A326 HydrophobicContact CD2-CB 3.74Å; L112-T327 HydrophobicContact CD1-CG2 4.5Å; L112-T327 HydrophobicContact CD2-CG2 3.8Å; L112-T327 HydrophobicContact CG-CG2 4.31Å
113R95.5Very high95.8Very high155 Ų15546.2 Ų46.259%0.58525%0.247SC*.G310 helixtrans-53.3-36.4-175.7-80.3178.9-178.9-152.84.4114.3Q110 S111 K115 F116 T121Q110-R113 WeakPolarHBondContact O-CB 3.4Å; Q110-R113 VanDerWaalsContact O-CG 3.24Å; Q110-R113 WeakPolarHBondContact O-CG 3.21Å; Q110-R113 PolarHBondContact O-N 3.15Å; S111-R113 VanDerWaalsContact C-N 3.32Å; S111-R113 PolarHBondContact O-N 3.49Å; R113-K115 PolarHBondContact O-N 2.87Å; R113-F116 CarbonylContact O-C 3.17Å; R113-F116 PolarHBondContact O-N 2.95Å; R113-T121 HydrophobicContact CB-CG2 4.4Å; R113-T121 HydrophobicContact CG-CG2 3.92Å
114S93.7Very high95.8Very high105 Ų10545.3 Ų45.373%0.73424%0.242SC*.G310 helixtrans-68.5-19.9178.8590000113.8L112L112-S114 PolarHBondContact O-N 3.25Å; L112-S114 VanDerWaalsContact O-N 3.11Å
115K94.1Very high95.8Very high124 Ų12447.3 Ų47.354%0.53925%0.251SS..THydrogen-bonded Turntrans-87.4-22.9176.5-66-70.5-171.8172.60112.9L112 R113 P117L112-K115 WeakPolarHBondContact O-CB 3.33Å; L112-K115 PolarHBondContact O-N 3.06Å; R113-K115 PolarHBondContact O-N 2.87Å; K115-P117 WeakPolarHBondContact O-CD 3.12Å
116F95.7Very high95.8Very high21 Ų2147.6 Ų47.69%0.09225%0.252CS..  trans-127.576.8-175.2-57.2-76.9000110.1L112 R113 D118 G119 T121 R122 H323L112-F116 HydrophobicContact CB-CD2 4.04Å; L112-F116 HydrophobicContact CB-CE2 4.12Å; L112-F116 HydrophobicContact CD1-CE2 4.43Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 2.98Å; R113-F116 CarbonylContact O-C 3.17Å; R113-F116 PolarHBondContact O-N 2.95Å; F116-D118 PolarHBondContact O-N 3.39Å; F116-G119 PolarHBondContact O-N 2.71Å; F116-T121 HydrophobicContact CB-CG2 4.04Å; F116-T121 HydrophobicContact CD2-CG2 4.21Å; F116-R122 HydrophobicContact CE1-CG 3.9Å; F116-R122 HydrophobicContact CE2-CG 4.32Å; F116-R122 WeakPolarHBondContact CE2-O 3.46Å; F116-R122 HydrophobicContact CZ-CG 3.72Å; F116-H323 AromaticContact CE2-NE2 3.86Å; F116-H323 AromaticContact CZ-CE1 3.96Å; F116-H323 AromaticContact CZ-NE2 3.56Å
117P92Very high95.9Very high126 Ų12646.1 Ų46.182%0.81825%0.245SC*.THydrogen-bonded Turntrans-65.3-19.7-174.325.6-34.6000113.8K115 G119K115-P117 WeakPolarHBondContact O-CD 3.12Å; P117-G119 PolarHBondContact O-N 2.7Å
118D92.7Very high96Very high102 Ų10245.6 Ų45.655%0.54524%0.241SC..THydrogen-bonded Turntrans-76.3-1.5171.570.9-22.9000113.3F116 S120F116-D118 PolarHBondContact O-N 3.39Å; D118-S120 VanDerWaalsContact C-N 3.3Å; D118-S120 PolarHBondContact O-N 3.42Å; D118-S120 PolarHBondContact OD1-N 3.27Å; D118-S120 PolarHBondContact OD1-OG 3.08Å; D118-S120 VanDerWaalsContact OD2-CB 3.28Å; D118-S120 WeakPolarHBondContact OD2-CB 3.39Å; D118-S120 PolarHBondContact OD2-OG 2.84Å
119G90.7Very high96.1Very high37 Ų3745.6 Ų45.638%0.38124%0.241SC..SBendtrans79.14.4-177.900000114.7F116 P117 T121F116-G119 PolarHBondContact O-N 2.71Å; P117-G119 PolarHBondContact O-N 2.7Å; G119-T121 PolarHBondContact O-N 2.88Å
120S94.5Very high96.1Very high8 Ų846.5 Ų46.56%0.05625%0.245CC..  trans-82.346.8178.270.70000112.6D118 R122D118-S120 VanDerWaalsContact C-N 3.3Å; D118-S120 PolarHBondContact O-N 3.42Å; D118-S120 PolarHBondContact OD1-N 3.27Å; D118-S120 PolarHBondContact OD1-OG 3.08Å; D118-S120 VanDerWaalsContact OD2-CB 3.28Å; D118-S120 WeakPolarHBondContact OD2-CB 3.39Å; D118-S120 PolarHBondContact OD2-OG 2.84Å; S120-R122 PolarHBondContact O-N 2.79Å; S120-R122 PolarHBondContact O-NH1 3.33Å; S120-R122 VanDerWaalsContact O-NH1 3.11Å; S120-R122 PolarHBondContact OG-NH1 2.82Å; S120-R122 VanDerWaalsContact OG-NH1 3.1Å
121T97.4Very high96.3Very high7 Ų741.9 Ų41.94%0.04322%0.224CC..  trans-57.7126.5-177.559.60000110.9L109 L112 R113 F116 G119 R227 G231L109-T121 WeakPolarHBondContact CD2-O 3.43Å; L109-T121 WeakPolarHBondContact O-CB 3.3Å; L109-T121 VanDerWaalsContact O-CG2 3.31Å; L109-T121 WeakPolarHBondContact O-CG2 3.34Å; L109-T121 PolarHBondContact O-OG1 2.95Å; L112-T121 HydrophobicContact CB-CG2 4.26Å; R113-T121 HydrophobicContact CB-CG2 4.4Å; R113-T121 HydrophobicContact CG-CG2 3.92Å; F116-T121 HydrophobicContact CB-CG2 4.04Å; F116-T121 HydrophobicContact CD2-CG2 4.21Å; G119-T121 PolarHBondContact O-N 2.88Å; T121-R227 PolarHBondContact O-NH1 2.53Å; T121-R227 PolarHBondContact OG1-NH2 3.36Å; T121-G231 WeakPolarHBondContact O-CA 3.3Å
122R97.9Very high96.4Very high88 Ų8840.6 Ų40.633%0.33222%0.215SC..  trans-146.6156.2-176.761.2-173.2172.6-854.8110.1L112 F116 S120L112-R122 WeakPolarHBondContact CD1-O 3.5Å; F116-R122 HydrophobicContact CE1-CG 3.9Å; F116-R122 HydrophobicContact CE2-CG 4.32Å; F116-R122 WeakPolarHBondContact CE2-O 3.46Å; F116-R122 HydrophobicContact CZ-CG 3.72Å; S120-R122 PolarHBondContact O-N 2.79Å; S120-R122 PolarHBondContact O-NH1 3.33Å; S120-R122 VanDerWaalsContact O-NH1 3.11Å; S120-R122 PolarHBondContact OG-NH1 2.82Å; S120-R122 VanDerWaalsContact OG-NH1 3.1Å
123F98.4Very high96.5Very high3 Ų344.8 Ų44.81%0.01323%0.231CC..  trans-79.8158.7169.8-62.4-86.6000110.6F105 M108 L109 L112 A128 L131 I228 D316 W317F105-F123 HydrophobicContact CB-CE2 4.46Å; F105-F123 HydrophobicContact CB-CZ 4.44Å; M108-F123 HydrophobicContact CB-CE1 3.6Å; M108-F123 HydrophobicContact CB-CZ 3.64Å; M108-F123 HydrophobicContact CE-CE1 3.98Å; M108-F123 HydrophobicContact CE-CZ 3.9Å; M108-F123 HydrophobicContact CG-CE1 4.44Å; M108-F123 HydrophobicContact SD-CE1 4.06Å; M108-F123 HydrophobicContact SD-CZ 4.47Å; L109-F123 HydrophobicContact CD1-CE2 4.25Å; L109-F123 HydrophobicContact CD2-CD2 3.65Å; L109-F123 HydrophobicContact CD2-CE2 3.46Å; L109-F123 VanDerWaalsContact CD2-CE2 3.46Å; L109-F123 HydrophobicContact CD2-CG 4.48Å; L109-F123 HydrophobicContact CD2-CZ 4.14Å; L109-F123 HydrophobicContact CG-CD2 4.24Å; L109-F123 HydrophobicContact CG-CE2 3.53Å; L109-F123 HydrophobicContact CG-CZ 3.98Å; L112-F123 HydrophobicContact CD1-CD1 4.46Å; F123-A128 HydrophobicContact CB-CB 4.42Å; F123-L131 HydrophobicContact CD1-CD1 4.28Å; F123-L131 HydrophobicContact CD2-CD1 4Å; F123-L131 HydrophobicContact CE1-CD1 4.05Å; F123-L131 HydrophobicContact CE2-CD1 3.74Å; F123-L131 HydrophobicContact CG-CD1 4.24Å; F123-L131 HydrophobicContact CZ-CD1 3.77Å; F123-I228 HydrophobicContact CD2-CB 3.81Å; F123-I228 HydrophobicContact CD2-CG2 4.38Å; F123-I228 HydrophobicContact CE2-CB 4.06Å; F123-I228 HydrophobicContact CE2-CG2 4.13Å; F123-I228 PolarHBondContact N-O 3.28Å; F123-D316 WeakPolarHBondContact CA-OD2 3.45Å; F123-D316 VanDerWaalsContact CB-OD2 3.29Å; F123-D316 WeakPolarHBondContact CB-OD2 3.47Å; F123-D316 HydrophobicContact CD1-CB 4.23Å; F123-D316 WeakPolarHBondContact CD1-OD2 3.43Å; F123-W317 HydrophobicContact CD1-CZ3 4.5Å; F123-W317 HydrophobicContact CE1-CZ3 4.44Å
124G97.7Very high96.7Very high4 Ų438 Ų384%0.04121%0.207CC..  trans-56.6149.9163.500000110.6R126 S127 A128 D316 E322G124-R126 VanDerWaalsContact C-N 3.31Å; G124-R126 PolarHBondContact O-N 3.02Å; G124-S127 WeakPolarHBondContact O-CB 3.43Å; G124-S127 PolarHBondContact O-N 2.87Å; G124-A128 PolarHBondContact O-N 3.41Å; G124-D316 PolarHBondContact N-OD1 2.88Å; G124-D316 PolarHBondContact N-OD2 3.04Å; G124-E322 VanDerWaalsContact CA-OE2 3.29Å; G124-E322 WeakPolarHBondContact CA-OE2 3.31Å
125Q97.7Very high96.9Very high46 Ų4633 Ų3322%0.21517%0.172CC..Hα-helixtrans-58.8-40.2-171.7-73.2-65.9-39.800112.8S127 A128 M129 S229 Y309Q125-S127 VanDerWaalsContact C-N 3.32Å; Q125-S127 PolarHBondContact O-N 3.32Å; Q125-A128 PolarHBondContact O-N 3.01Å; Q125-M129 WeakPolarHBondContact O-CG 3.29Å; Q125-M129 PolarHBondContact O-N 3.37Å; Q125-S229 PolarHBondContact NE2-O 3.17Å; Q125-Y309 HydrophobicContact CB-CE2 3.75Å
126R98Very high97.1Very high6 Ų627 Ų272%0.02315%0.146CC..Hα-helixtrans-55.2-47.1174.217062.4-174.398.5-3.9112.1G124 M129 H130 Y309 T310 E311 T313 L315G124-R126 VanDerWaalsContact C-N 3.31Å; G124-R126 PolarHBondContact O-N 3.02Å; R126-M129 PolarHBondContact O-N 3.18Å; R126-H130 PolarHBondContact O-N 3.01Å; R126-H130 VanDerWaalsContact O-N 3.08Å; R126-Y309 HydrophobicContact CB-CD1 3.93Å; R126-Y309 HydrophobicContact CB-CD2 4.01Å; R126-Y309 HydrophobicContact CB-CE1 3.96Å; R126-Y309 HydrophobicContact CB-CE2 4.07Å; R126-Y309 HydrophobicContact CB-CG 3.95Å; R126-Y309 HydrophobicContact CG-CD1 4.5Å; R126-T310 PolarHBondContact NE-O 3.42Å; R126-T310 PolarHBondContact NH2-O 3.42Å; R126-E311 PolarHBondContact NH2-O 3.49Å; R126-E311 IonicContact NH2-OE2 2.66Å; R126-E311 PolarHBondContact NH2-OE2 3.08Å; R126-T313 HydrophobicContact CB-CG2 4.3Å; R126-T313 HydrophobicContact CG-CG2 3.79Å; R126-T313 PolarHBondContact NE-O 3.34Å; R126-L315 HydrophobicContact CG-CD2 4.11Å
127S98.6Very high97.3Very high0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-69.9-42.3-179.1-56.70000111.4G124 Q125 M129 H130 L131 L315 D316G124-S127 WeakPolarHBondContact O-CB 3.43Å; G124-S127 PolarHBondContact O-N 2.87Å; Q125-S127 VanDerWaalsContact C-N 3.32Å; Q125-S127 PolarHBondContact O-N 3.32Å; S127-M129 VanDerWaalsContact C-N 3.29Å; S127-M129 PolarHBondContact O-N 3.26Å; S127-H130 WeakPolarHBondContact O-CB 3.21Å; S127-H130 PolarHBondContact O-N 2.9Å; S127-L131 WeakPolarHBondContact O-CB 3.28Å; S127-L131 VanDerWaalsContact O-CG 3.28Å; S127-L131 WeakPolarHBondContact O-CG 3.38Å; S127-L131 PolarHBondContact O-N 3Å; S127-L315 WeakPolarHBondContact OG-CA 3.26Å; S127-D316 WeakPolarHBondContact CB-OD1 3.32Å; S127-D316 WeakPolarHBondContact OG-CB 3.36Å; S127-D316 PolarHBondContact OG-N 3.36Å; S127-D316 PolarHBondContact OG-OD1 3.46Å
128A98.5Very high97.6Very high0 Ų021.2 Ų21.20%011%0.108CC..Hα-helixtrans-59.9-39.117500000112.3F123 G124 Q125 G132 I228F123-A128 HydrophobicContact CB-CB 4.42Å; G124-A128 PolarHBondContact O-N 3.41Å; Q125-A128 PolarHBondContact O-N 3.01Å; A128-G132 PolarHBondContact O-N 2.7Å; A128-I228 HydrophobicContact CB-CG1 4.42Å
129M98.5Very high97.9Very high2 Ų216.3 Ų16.31%0.018%0.082CC..Hα-helixtrans-68.2-41.2175.5-68.9-54.196.300112.5Q125 R126 S127 G132 R133 L225 Y275 M300 L303 M304Q125-M129 WeakPolarHBondContact O-CG 3.29Å; Q125-M129 PolarHBondContact O-N 3.37Å; R126-M129 PolarHBondContact O-N 3.18Å; S127-M129 VanDerWaalsContact C-N 3.29Å; S127-M129 PolarHBondContact O-N 3.26Å; M129-G132 PolarHBondContact O-N 3.04Å; M129-R133 VanDerWaalsContact O-CB 3.29Å; M129-R133 WeakPolarHBondContact O-CB 3.23Å; M129-R133 PolarHBondContact O-N 3.45Å; M129-L225 HydrophobicContact CE-CD1 4.06Å; M129-Y275 HydrophobicContact CE-CE1 4.2Å; M129-Y275 VanDerWaalsContact CE-OH 3.32Å; M129-Y275 WeakPolarHBondContact CE-OH 3.41Å; M129-M300 HydrophobicContact SD-CB 3.88Å; M129-M300 HydrophobicContact SD-CG 3.79Å; M129-L303 HydrophobicContact CE-CD1 4.01Å; M129-L303 HydrophobicContact CG-CD2 3.69Å; M129-L303 HydrophobicContact SD-CB 4.25Å; M129-L303 HydrophobicContact SD-CD1 3.84Å; M129-L303 HydrophobicContact SD-CD2 3.97Å; M129-L303 HydrophobicContact SD-CG 4.25Å; M129-M304 HydrophobicContact CB-CG 4.01Å; M129-M304 HydrophobicContact CB-SD 4.2Å; M129-M304 HydrophobicContact CG-CG 4.02Å
130H98.6Very high98.3Very high18 Ų1817 Ų178%0.0838%0.075CC..Hα-helixtrans-55.4-55.7173.8-171.662.8000111.5R126 S127 G132 R133 C134 R166 L315R126-H130 PolarHBondContact O-N 3.01Å; R126-H130 VanDerWaalsContact O-N 3.08Å; S127-H130 WeakPolarHBondContact O-CB 3.21Å; S127-H130 PolarHBondContact O-N 2.9Å; H130-G132 VanDerWaalsContact C-N 3.35Å; H130-G132 PolarHBondContact O-N 2.71Å; H130-R133 PolarHBondContact O-N 2.94Å; H130-C134 PolarHBondContact O-N 3.03Å; H130-C134 PolarHBondContact O-SG 3.14Å; H130-C134 VanDerWaalsContact O-SG 3.41Å; H130-R166 PolarHBondContact CE1-O 3.23Å; H130-R166 PolarHBondContact NE2-O 2.68Å; H130-L315 HydrophobicContact CB-CD2 3.64Å
131L98.8Very high98.5Very high0 Ų017 Ų170%08%0.075CC..Hα-helixtrans-63.9-41.2-178.6-64.7-175.1000111.4F105 M108 F123 S127 S135 I159 V168 I228 W317F105-L131 HydrophobicContact CD1-CD1 4.02Å; F105-L131 HydrophobicContact CD1-CD2 4.07Å; F105-L131 HydrophobicContact CD2-CD1 4.36Å; F105-L131 HydrophobicContact CE1-CB 4.4Å; F105-L131 HydrophobicContact CE1-CD1 4.13Å; F105-L131 HydrophobicContact CE1-CD2 3.39Å; F105-L131 HydrophobicContact CE1-CG 4.16Å; F105-L131 HydrophobicContact CE2-CB 3.89Å; F105-L131 HydrophobicContact CE2-CD1 4.42Å; F105-L131 HydrophobicContact CE2-CD2 4.41Å; F105-L131 HydrophobicContact CE2-CG 4.45Å; F105-L131 HydrophobicContact CG-CD1 4.16Å; F105-L131 HydrophobicContact CZ-CB 3.82Å; F105-L131 HydrophobicContact CZ-CD1 4.31Å; F105-L131 HydrophobicContact CZ-CD2 3.58Å; F105-L131 HydrophobicContact CZ-CG 4.08Å; M108-L131 HydrophobicContact CE-CD1 4.46Å; F123-L131 HydrophobicContact CD1-CD1 4.28Å; F123-L131 HydrophobicContact CD2-CD1 4Å; F123-L131 HydrophobicContact CE1-CD1 4.05Å; F123-L131 HydrophobicContact CE2-CD1 3.74Å; F123-L131 HydrophobicContact CG-CD1 4.24Å; F123-L131 HydrophobicContact CZ-CD1 3.77Å; S127-L131 WeakPolarHBondContact O-CB 3.28Å; S127-L131 VanDerWaalsContact O-CG 3.28Å; S127-L131 WeakPolarHBondContact O-CG 3.38Å; S127-L131 PolarHBondContact O-N 3Å; L131-S135 WeakPolarHBondContact O-CB 3.19Å; L131-S135 PolarHBondContact O-N 3.25Å; L131-S135 PolarHBondContact O-OG 3.22Å; L131-I159 HydrophobicContact CD2-CG2 4.02Å; L131-V168 HydrophobicContact CD2-CG2 3.83Å; L131-I228 HydrophobicContact CB-CD1 3.89Å; L131-W317 HydrophobicContact CD1-CH2 4.28Å; L131-W317 HydrophobicContact CD1-CZ3 4.17Å; L131-W317 HydrophobicContact CD2-CH2 3.46Å; L131-W317 VanDerWaalsContact CD2-CH2 3.46Å; L131-W317 HydrophobicContact CD2-CZ2 4.27Å; L131-W317 HydrophobicContact CD2-CZ3 4.16Å; L131-W317 HydrophobicContact CG-CH2 3.91Å; L131-W317 HydrophobicContact CG-CZ3 4.28Å
132G98.7Very high98.5Very high0 Ų016.8 Ų16.80%07%0.073CC..Hα-helixtrans-60-47175.500000112.5A128 M129 H130 S135 L136 W221A128-G132 PolarHBondContact O-N 2.7Å; M129-G132 PolarHBondContact O-N 3.04Å; H130-G132 VanDerWaalsContact C-N 3.35Å; H130-G132 PolarHBondContact O-N 2.71Å; G132-S135 PolarHBondContact O-OG 3.22Å; G132-L136 WeakPolarHBondContact O-CB 3.04Å; G132-L136 PolarHBondContact O-N 3.29Å; G132-L136 VanDerWaalsContact O-N 3.1Å; G132-W221 PolarHBondContact O-NE1 3.12Å
133R98.8Very high98.6Very high89 Ų8912.8 Ų12.834%0.3366%0.059SC..Hα-helixtrans-62.4-57.3178-179.7179.1-175.8133.16.2111.6M129 H130 S135 L136 E137 Y297 M300M129-R133 VanDerWaalsContact O-CB 3.29Å; M129-R133 WeakPolarHBondContact O-CB 3.23Å; M129-R133 PolarHBondContact O-N 3.45Å; H130-R133 PolarHBondContact O-N 2.94Å; R133-S135 VanDerWaalsContact C-N 3.3Å; R133-S135 PolarHBondContact O-N 2.98Å; R133-L136 WeakPolarHBondContact O-CB 3.48Å; R133-L136 PolarHBondContact O-N 3.21Å; R133-L136 VanDerWaalsContact O-N 3.1Å; R133-E137 HydrophobicContact CG-CG 4.37Å; R133-E137 WeakPolarHBondContact CG-OE1 3.42Å; R133-E137 IonicContact CZ-OE1 3.86Å; R133-E137 IonicContact NE-OE1 3.18Å; R133-E137 PolarHBondContact NE-OE1 2.91Å; R133-E137 IonicContact NH2-OE1 3.78Å; R133-E137 WeakPolarHBondContact O-CG 3.22Å; R133-E137 PolarHBondContact O-N 2.87Å; R133-Y297 HydrophobicContact CG-CD1 4.32Å; R133-Y297 HydrophobicContact CG-CE1 4.44Å; R133-M300 HydrophobicContact CB-CE 4.22Å; R133-M300 HydrophobicContact CB-SD 4.26Å
134C98.7Very high98.5Very high11 Ų1119.6 Ų19.67%0.0749%0.088CC..Hα-helixtrans-64.1-36.2-175.6-60.70000112.3H80 H130 L136 E137 A138 V168H80-C134 PolarHBondContact CD2-O 3.48Å; H80-C134 VanDerWaalsContact CE1-CB 3.46Å; H80-C134 WeakPolarHBondContact CE1-CB 3.47Å; H130-C134 PolarHBondContact O-N 3.03Å; H130-C134 PolarHBondContact O-SG 3.14Å; H130-C134 VanDerWaalsContact O-SG 3.41Å; C134-L136 VanDerWaalsContact C-N 3.33Å; C134-L136 PolarHBondContact O-N 3.12Å; C134-E137 PolarHBondContact O-N 3.23Å; C134-A138 PolarHBondContact O-N 3.26Å; C134-V168 HydrophobicContact CB-CB 3.59Å; C134-V168 HydrophobicContact CB-CG1 4.22Å; C134-V168 HydrophobicContact CB-CG2 3.66Å
135S98.9Very high98.5Very high0 Ų021 Ų210%09%0.093CC..Hα-helixtrans-66.6-33.417557.80000113.2L131 G132 R133 A138 L139 Y157 W221L131-S135 WeakPolarHBondContact O-CB 3.19Å; L131-S135 PolarHBondContact O-N 3.25Å; L131-S135 PolarHBondContact O-OG 3.22Å; G132-S135 PolarHBondContact O-OG 3.22Å; R133-S135 VanDerWaalsContact C-N 3.3Å; R133-S135 PolarHBondContact O-N 2.98Å; S135-A138 WeakPolarHBondContact O-CB 3.47Å; S135-L139 WeakPolarHBondContact O-CG 3.25Å; S135-L139 PolarHBondContact O-N 2.78Å; S135-Y157 PolarHBondContact O-OH 3.03Å; S135-W221 PolarHBondContact OG-NE1 3.1Å; S135-W221 VanDerWaalsContact OG-NE1 3.17Å
136L98.9Very high98.5Very high0 Ų019 Ų190%08%0.084CC..Hα-helixtrans-71.4-42174-174.559.4000111.8G132 R133 C134 A138 L139 E140 I218 W221 Y293 C296 Y297 M300G132-L136 WeakPolarHBondContact O-CB 3.04Å; G132-L136 PolarHBondContact O-N 3.29Å; G132-L136 VanDerWaalsContact O-N 3.1Å; R133-L136 WeakPolarHBondContact O-CB 3.48Å; R133-L136 PolarHBondContact O-N 3.21Å; R133-L136 VanDerWaalsContact O-N 3.1Å; C134-L136 VanDerWaalsContact C-N 3.33Å; C134-L136 PolarHBondContact O-N 3.12Å; L136-A138 PolarHBondContact O-N 2.97Å; L136-L139 PolarHBondContact O-N 3.29Å; L136-L139 VanDerWaalsContact O-N 3.1Å; L136-E140 PolarHBondContact O-N 3.19Å; L136-I218 HydrophobicContact CD1-CD1 3.74Å; L136-I218 HydrophobicContact CD1-CG2 4.39Å; L136-W221 HydrophobicContact CB-CD2 4.41Å; L136-W221 HydrophobicContact CB-CZ2 3.96Å; L136-W221 HydrophobicContact CD1-CD2 4.02Å; L136-W221 HydrophobicContact CD1-CE3 4.26Å; L136-W221 HydrophobicContact CD1-CG 4.35Å; L136-W221 HydrophobicContact CD2-CH2 3.92Å; L136-W221 HydrophobicContact CD2-CZ2 3.85Å; L136-W221 HydrophobicContact CD2-CZ3 4.38Å; L136-W221 HydrophobicContact CG-CZ2 4.34Å; L136-Y293 HydrophobicContact CD1-CD1 3.78Å; L136-Y293 HydrophobicContact CD1-CE1 4.26Å; L136-Y293 HydrophobicContact CG-CD1 4.12Å; L136-C296 HydrophobicContact CD2-CB 3.42Å; L136-C296 VanDerWaalsContact CD2-CB 3.42Å; L136-Y297 HydrophobicContact CB-CE1 3.94Å; L136-Y297 HydrophobicContact CD2-CD1 3.94Å; L136-Y297 HydrophobicContact CD2-CE1 3.51Å; L136-Y297 HydrophobicContact CG-CE1 3.76Å; L136-M300 HydrophobicContact CD2-CE 4.01Å
137E98.9Very high98.5Very high21 Ų2119.1 Ų19.110%0.0989%0.085CC..Hα-helixtrans-58.8-38.2175-71.3176.4172.200111.4R79 H80 R133 C134 E140 D141 Y297R79-E137 VanDerWaalsContact NH1-CG 3.32Å; R79-E137 IonicContact NH1-OE1 3.53Å; R79-E137 PolarHBondContact NH2-O 3.42Å; H80-E137 IonicContact CD2-OE2 3.45Å; H80-E137 IonicContact CE1-OE2 2.71Å; H80-E137 IonicContact NE2-OE2 2.94Å; H80-E137 PolarHBondContact NE2-OE2 3.01Å; R133-E137 HydrophobicContact CG-CG 4.37Å; R133-E137 WeakPolarHBondContact CG-OE1 3.42Å; R133-E137 IonicContact CZ-OE1 3.86Å; R133-E137 IonicContact NE-OE1 3.18Å; R133-E137 PolarHBondContact NE-OE1 2.91Å; R133-E137 IonicContact NH2-OE1 3.78Å; R133-E137 WeakPolarHBondContact O-CG 3.22Å; R133-E137 PolarHBondContact O-N 2.87Å; C134-E137 PolarHBondContact O-N 3.23Å; E137-E140 PolarHBondContact O-N 2.66Å; E137-D141 PolarHBondContact O-N 3.08Å; E137-Y297 VanDerWaalsContact CA-OH 3.31Å; E137-Y297 WeakPolarHBondContact CA-OH 3.41Å; E137-Y297 HydrophobicContact CG-CE1 3.82Å; E137-Y297 WeakPolarHBondContact CG-OH 3.37Å; E137-Y297 PolarHBondContact N-OH 3.38Å
138A98.8Very high98.4Very high3 Ų319.2 Ų19.23%0.0259%0.085CC..Hα-helixtrans-60.8-45.2173.600000112.2H80 C134 S135 L136 D141 M142 Y157 I170H80-A138 HydrophobicContact CB-CB 3.65Å; C134-A138 PolarHBondContact O-N 3.26Å; S135-A138 WeakPolarHBondContact O-CB 3.47Å; L136-A138 PolarHBondContact O-N 2.97Å; A138-D141 PolarHBondContact O-N 2.96Å; A138-M142 WeakPolarHBondContact O-CG 3.21Å; A138-M142 PolarHBondContact O-N 3.05Å; A138-M142 VanDerWaalsContact O-N 3.08Å; A138-Y157 HydrophobicContact CB-CE1 4.23Å; A138-I170 HydrophobicContact CB-CB 3.97Å; A138-I170 HydrophobicContact CB-CD1 4.36Å; A138-I170 HydrophobicContact CB-CG2 3.99Å
139L98.9Very high98.4Very high0 Ų019.2 Ų19.20%09%0.085CC..Hα-helixtrans-69.2-39.7178.5-68.2173.2000111.8S135 L136 D141 M142 H143 H149 V152 Y157 I170 D217 I218 W221S135-L139 WeakPolarHBondContact O-CG 3.25Å; S135-L139 PolarHBondContact O-N 2.78Å; L136-L139 PolarHBondContact O-N 3.29Å; L136-L139 VanDerWaalsContact O-N 3.1Å; L139-D141 VanDerWaalsContact C-N 3.3Å; L139-D141 PolarHBondContact O-N 2.97Å; L139-M142 PolarHBondContact O-N 3.23Å; L139-H143 WeakPolarHBondContact O-CB 3.4Å; L139-H143 PolarHBondContact O-N 2.73Å; L139-H143 PolarHBondContact O-ND1 3.07Å; L139-H143 VanDerWaalsContact O-ND1 3.15Å; L139-H149 HydrophobicContact CD2-CB 3.88Å; L139-V152 HydrophobicContact CD1-CG1 4.37Å; L139-V152 HydrophobicContact CD1-CG2 4.04Å; L139-V152 HydrophobicContact CD2-CG2 3.75Å; L139-Y157 WeakPolarHBondContact CG-OH 3.42Å; L139-I170 HydrophobicContact CD2-CD1 3.91Å; L139-D217 HydrophobicContact CD1-CB 4.43Å; L139-D217 HydrophobicContact CD2-CB 4.2Å; L139-I218 HydrophobicContact CB-CD1 4.22Å; L139-I218 HydrophobicContact CD1-CD1 4.13Å; L139-W221 HydrophobicContact CD1-CB 3.78Å; L139-W221 HydrophobicContact CD1-CG 4.31Å
140E98.8Very high98.3Very high50 Ų5020.5 Ų20.523%0.2349%0.09CC..Hα-helixtrans-56.6-45.8174.3-177.6179.4-155.400111.2R79 L136 E137 H143 K144 Y293 Y297R79-E140 IonicContact CZ-OE2 3.67Å; R79-E140 IonicContact NH1-OE2 2.91Å; R79-E140 IonicContact NH2-OE2 3.95Å; R79-E140 PolarHBondContact NH2-OE2 2.97Å; L136-E140 PolarHBondContact O-N 3.19Å; E137-E140 PolarHBondContact O-N 2.66Å; E140-H143 PolarHBondContact O-N 3Å; E140-K144 WeakPolarHBondContact O-CB 3.48Å; E140-K144 PolarHBondContact O-N 3.12Å; E140-Y293 HydrophobicContact CB-CD1 3.75Å; E140-Y293 HydrophobicContact CB-CE1 3.89Å; E140-Y293 HydrophobicContact CB-CG 4.11Å; E140-Y293 HydrophobicContact CG-CD1 4.09Å; E140-Y293 HydrophobicContact CG-CD2 4Å; E140-Y293 HydrophobicContact CG-CE1 4.33Å; E140-Y293 HydrophobicContact CG-CE2 4.28Å; E140-Y293 HydrophobicContact CG-CG 3.93Å; E140-Y297 PolarHBondContact OE2-OH 3.07Å
141D98.7Very high98.2Very high10 Ų1020 Ų205%0.0539%0.087CC..Hα-helixtrans-64-45.4177.1-70.7-8.5000111.4A78 R79 E137 A138 L139 H143 K144 Y145A78-D141 HydrophobicContact CB-CB 4.05Å; R79-D141 WeakPolarHBondContact CB-OD2 3.42Å; R79-D141 WeakPolarHBondContact CG-OD2 3.4Å; R79-D141 IonicContact CZ-OD1 3.85Å; R79-D141 IonicContact CZ-OD2 3.82Å; R79-D141 PolarHBondContact N-OD2 2.8Å; R79-D141 IonicContact NE-OD1 3.73Å; R79-D141 PolarHBondContact NE-OD1 3.19Å; R79-D141 IonicContact NE-OD2 3.95Å; R79-D141 PolarHBondContact NE-OD2 2.55Å; R79-D141 VanDerWaalsContact NE-OD2 3.08Å; R79-D141 IonicContact NH2-OD1 2.74Å; R79-D141 PolarHBondContact NH2-OD1 3.08Å; R79-D141 IonicContact NH2-OD2 2.87Å; E137-D141 PolarHBondContact O-N 3.08Å; A138-D141 PolarHBondContact O-N 2.96Å; L139-D141 VanDerWaalsContact C-N 3.3Å; L139-D141 PolarHBondContact O-N 2.97Å; D141-H143 PolarHBondContact O-N 2.86Å; D141-K144 WeakPolarHBondContact O-CB 3.44Å; D141-K144 PolarHBondContact O-N 2.87Å; D141-Y145 HydrophobicContact CB-CE2 4.22Å; D141-Y145 WeakPolarHBondContact O-CD2 3.24Å; D141-Y145 PolarHBondContact O-N 3.23Å
142M98.5Very high98.2Very high1 Ų120 Ų201%0.0059%0.088CC..Hα-helixtrans-57.8-47.8175.1-72.5-17172.400112V69 L73 A138 L139 K144 Y145 G146 Y147 H149 I170 F173V69-M142 HydrophobicContact CG1-CE 4.38Å; L73-M142 HydrophobicContact CD1-CG 3.98Å; L73-M142 HydrophobicContact CD2-CG 4.28Å; A138-M142 WeakPolarHBondContact O-CG 3.21Å; A138-M142 PolarHBondContact O-N 3.05Å; A138-M142 VanDerWaalsContact O-N 3.08Å; L139-M142 PolarHBondContact O-N 3.23Å; M142-K144 PolarHBondContact O-N 3.15Å; M142-Y145 CarbonylContact O-C 3.53Å; M142-Y145 PolarHBondContact O-N 3.3Å; M142-G146 PolarHBondContact O-N 3.47Å; M142-G146 VanDerWaalsContact O-N 3.13Å; M142-Y147 CarbonylContact C-O 3.52Å; M142-Y147 VanDerWaalsContact C-O 3.23Å; M142-Y147 PolarHBondContact O-N 3.26Å; M142-Y147 VanDerWaalsContact O-O 3.12Å; M142-H149 HydrophobicContact CE-CB 3.97Å; M142-H149 HydrophobicContact SD-CB 3.94Å; M142-I170 HydrophobicContact SD-CD1 3.76Å; M142-F173 HydrophobicContact CE-CD1 3.79Å; M142-F173 HydrophobicContact CE-CE1 3.95Å; M142-F173 HydrophobicContact SD-CD1 4.29Å; M142-F173 HydrophobicContact SD-CE1 3.86Å
143H98.5Very high98.2Very high4 Ų420.5 Ų20.52%0.0199%0.09CC..Hα-helixtrans-65.1-40.7-179.5-64.8153.7000111.7L139 E140 D141 Y145 G146 Y147 Y179 D217 Y293L139-H143 WeakPolarHBondContact O-CB 3.4Å; L139-H143 PolarHBondContact O-N 2.73Å; L139-H143 PolarHBondContact O-ND1 3.07Å; L139-H143 VanDerWaalsContact O-ND1 3.15Å; E140-H143 PolarHBondContact O-N 3Å; D141-H143 PolarHBondContact O-N 2.86Å; H143-Y145 PolarHBondContact O-N 3.04Å; H143-G146 PolarHBondContact O-N 2.99Å; H143-Y147 PolarHBondContact CD2-O 3Å; H143-Y147 VanDerWaalsContact CD2-O 3.24Å; H143-Y147 PolarHBondContact N-O 3.49Å; H143-Y179 PolarHBondContact O-OH 2.77Å; H143-D217 IonicContact NE2-OD2 3.28Å; H143-D217 PolarHBondContact NE2-OD2 2.83Å; H143-D217 VanDerWaalsContact NE2-OD2 3.15Å; H143-Y293 WeakPolarHBondContact CB-OH 3.46Å; H143-Y293 AromaticContact ND1-CE1 3.88Å; H143-Y293 AromaticContact ND1-CZ 3.68Å; H143-Y293 PolarHBondContact ND1-OH 3.38Å
144K97.4Very high98.1Very high147 Ų14716.2 Ų16.264%0.6397%0.074SC*.Hα-helixtrans-57.8-37.4174.2178.8-174.3177.6-170.40111.8E140 D141 M142 G146E140-K144 WeakPolarHBondContact O-CB 3.48Å; E140-K144 PolarHBondContact O-N 3.12Å; D141-K144 WeakPolarHBondContact O-CB 3.44Å; D141-K144 PolarHBondContact O-N 2.87Å; M142-K144 PolarHBondContact O-N 3.15Å; K144-G146 VanDerWaalsContact C-N 3.3Å
145Y96.6Very high98Very high34 Ų3416.2 Ų16.213%0.1337%0.073CC..THydrogen-bonded Turntrans-92.112.2177.7-53.5-46.6000113.6L73 R76 A78 D141 M142 H143 Y147L73-Y145 HydrophobicContact CD2-CD2 3.73Å; R76-Y145 HydrophobicContact CB-CD1 4.27Å; R76-Y145 HydrophobicContact CB-CD2 4.04Å; R76-Y145 HydrophobicContact CB-CE1 3.85Å; R76-Y145 HydrophobicContact CB-CE2 3.56Å; R76-Y145 HydrophobicContact CB-CG 4.38Å; R76-Y145 VanDerWaalsContact CB-CZ 3.47Å; R76-Y145 HydrophobicContact CG-CD1 4.01Å; R76-Y145 HydrophobicContact CG-CD2 4.34Å; R76-Y145 HydrophobicContact CG-CE1 3.97Å; R76-Y145 HydrophobicContact CG-CE2 4.29Å; R76-Y145 HydrophobicContact CG-CG 4.22Å; R76-Y145 PolarHBondContact O-OH 3.39Å; A78-Y145 HydrophobicContact CB-CE2 4.32Å; D141-Y145 HydrophobicContact CB-CE2 4.22Å; D141-Y145 WeakPolarHBondContact O-CD2 3.24Å; D141-Y145 PolarHBondContact O-N 3.23Å; M142-Y145 CarbonylContact O-C 3.53Å; M142-Y145 PolarHBondContact O-N 3.3Å; H143-Y145 PolarHBondContact O-N 3.04Å; Y145-Y147 WeakPolarHBondContact O-CD2 3.31Å
146G97.4Very high97.9Very high3 Ų316.3 Ų16.33%0.0317%0.073CC..THydrogen-bonded Turntrans83.117.2169.100000115.1M142 H143 K144 K178 Y179 I180M142-G146 PolarHBondContact O-N 3.47Å; M142-G146 VanDerWaalsContact O-N 3.13Å; H143-G146 PolarHBondContact O-N 2.99Å; K144-G146 VanDerWaalsContact C-N 3.3Å; G146-K178 CarbonylContact O-C 3.15Å; G146-K178 VanDerWaalsContact O-CA 3.24Å; G146-K178 WeakPolarHBondContact O-CA 3.38Å; G146-K178 WeakPolarHBondContact O-CG 3.45Å; G146-Y179 VanDerWaalsContact CA-CE1 3.47Å; G146-Y179 WeakPolarHBondContact O-CD1 3.45Å; G146-Y179 PolarHBondContact O-N 2.87Å; G146-I180 PolarHBondContact O-N 2.94Å
147Y98Very high97.9Very high9 Ų916.3 Ų16.34%0.0357%0.073CC..EExtended strand (participates in β ladder)trans-110.2143.1177-68.7-80.6000112.4V69 E72 M142 H143 Y145 R177 K178V69-Y147 HydrophobicContact CG2-CD1 3.9Å; V69-Y147 HydrophobicContact CG2-CE1 3.79Å; E72-Y147 HydrophobicContact CB-CE2 4.35Å; E72-Y147 VanDerWaalsContact CD-CE2 3.5Å; E72-Y147 HydrophobicContact CG-CE2 4.22Å; E72-Y147 VanDerWaalsContact OE2-CE2 3.28Å; E72-Y147 WeakPolarHBondContact OE2-CE2 3.14Å; E72-Y147 VanDerWaalsContact OE2-CZ 3.3Å; E72-Y147 PolarHBondContact OE2-OH 2.89Å; M142-Y147 CarbonylContact C-O 3.52Å; M142-Y147 VanDerWaalsContact C-O 3.23Å; M142-Y147 PolarHBondContact O-N 3.26Å; M142-Y147 VanDerWaalsContact O-O 3.12Å; H143-Y147 PolarHBondContact CD2-O 3Å; H143-Y147 VanDerWaalsContact CD2-O 3.24Å; H143-Y147 PolarHBondContact N-O 3.49Å; Y145-Y147 WeakPolarHBondContact O-CD2 3.31Å; Y147-R177 CarbonylContact C-O 3.59Å; Y147-R177 WeakPolarHBondContact CA-O 3.49Å; Y147-K178 HydrophobicContact CD1-CB 4.02Å; Y147-K178 HydrophobicContact CD1-CG 4.2Å; Y147-K178 HydrophobicContact CE1-CB 3.73Å; Y147-K178 HydrophobicContact CE1-CD 4.04Å; Y147-K178 HydrophobicContact CE1-CG 3.84Å; Y147-K178 HydrophobicContact CE2-CD 4.44Å; Y147-K178 PolarHBondContact OH-NZ 3.11Å
148L98.2Very high97.9Very high1 Ų115.3 Ų15.31%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-99.9144.8163.2-53177000108.7R150 S176 R177 Y179 Q212 P214 D217L148-R150 HydrophobicContact CB-CG 3.69Å; L148-R150 HydrophobicContact CD1-CG 4.48Å; L148-S176 CarbonylContact O-C 3.46Å; L148-S176 WeakPolarHBondContact O-CA 3.35Å; L148-S176 WeakPolarHBondContact O-CB 3.05Å; L148-S176 PolarHBondContact O-OG 3.18Å; L148-R177 PolarHBondContact N-O 2.83Å; L148-R177 PolarHBondContact O-N 3.33Å; L148-Y179 HydrophobicContact CD1-CG 4.45Å; L148-Y179 HydrophobicContact CD2-CD1 3.59Å; L148-Y179 HydrophobicContact CD2-CE1 4.05Å; L148-Y179 HydrophobicContact CD2-CG 3.96Å; L148-Y179 HydrophobicContact CG-CD1 3.75Å; L148-Y179 HydrophobicContact CG-CG 4.02Å; L148-Q212 HydrophobicContact CD1-CB 4.28Å; L148-Q212 WeakPolarHBondContact CD1-O 3.43Å; L148-P214 HydrophobicContact CD2-CB 4.36Å; L148-P214 HydrophobicContact CD2-CG 3.78Å; L148-D217 WeakPolarHBondContact CA-OD2 3.32Å
149H98Very high97.9Very high0 Ų015.6 Ų15.60%07%0.069CC..  trans-79.9-50.7173.7-172-94.3000111.8L139 M142 D151 V152 I170 L171 D172 M175 D217L139-H149 HydrophobicContact CD2-CB 3.88Å; M142-H149 HydrophobicContact CE-CB 3.97Å; M142-H149 HydrophobicContact SD-CB 3.94Å; H149-D151 VanDerWaalsContact C-N 3.26Å; H149-D151 PolarHBondContact CE1-O 2.83Å; H149-D151 VanDerWaalsContact CE1-O 3.26Å; H149-D151 VanDerWaalsContact ND1-C 3.28Å; H149-D151 PolarHBondContact ND1-N 3.17Å; H149-D151 PolarHBondContact ND1-O 3.01Å; H149-D151 PolarHBondContact O-N 3.29Å; H149-V152 HydrophobicContact CB-CG2 4.13Å; H149-V152 PolarHBondContact ND1-N 3.37Å; H149-I170 HydrophobicContact CB-CD1 4.41Å; H149-I170 VanDerWaalsContact CD2-CD1 3.42Å; H149-I170 WeakPolarHBondContact CD2-CD1 3.22Å; H149-L171 PolarHBondContact NE2-O 3.32Å; H149-L171 VanDerWaalsContact NE2-O 3.08Å; H149-D172 PolarHBondContact NE2-O 3.44Å; H149-M175 CarbonylContact O-C 3.45Å; H149-D217 PolarHBondContact N-OD2 3.19Å
150R97.2Very high97.8Very high29 Ų2915.7 Ų15.711%0.1097%0.071CC..  trans68.40177.4-51.9-168.7-62.9165.4-2.1117.7L148 M175 S176 G197 Q212 D217L148-R150 HydrophobicContact CB-CG 3.69Å; L148-R150 HydrophobicContact CD1-CG 4.48Å; R150-M175 HydrophobicContact CB-CB 4.48Å; R150-M175 PolarHBondContact NE-O 2.83Å; R150-M175 PolarHBondContact NH2-O 2.84Å; R150-S176 PolarHBondContact NH2-O 2.9Å; R150-G197 WeakPolarHBondContact O-CA 3.19Å; R150-Q212 HydrophobicContact CG-CB 4.45Å; R150-D217 WeakPolarHBondContact CA-OD1 3.42Å; R150-D217 PolarHBondContact N-OD1 3.08Å
151D96.5Very high97.6Very high7 Ų717 Ų174%0.0377%0.074CC..  trans-139.650.8171.7-16329.5000112.6H149 K153 N156 M175 G197 T198H149-D151 VanDerWaalsContact C-N 3.26Å; H149-D151 PolarHBondContact CE1-O 2.83Å; H149-D151 VanDerWaalsContact CE1-O 3.26Å; H149-D151 VanDerWaalsContact ND1-C 3.28Å; H149-D151 PolarHBondContact ND1-N 3.17Å; H149-D151 PolarHBondContact ND1-O 3.01Å; H149-D151 PolarHBondContact O-N 3.29Å; D151-K153 PolarHBondContact O-N 3.13Å; D151-K153 IonicContact OD1-NZ 3.19Å; D151-K153 PolarHBondContact OD1-NZ 2.88Å; D151-K153 WeakPolarHBondContact OD2-CE 3.39Å; D151-K153 IonicContact OD2-NZ 3.95Å; D151-K153 PolarHBondContact OD2-NZ 3.24Å; D151-N156 PolarHBondContact O-ND2 2.85Å; D151-N156 PolarHBondContact OD2-ND2 3.24Å; D151-M175 HydrophobicContact CB-CB 4.27Å; D151-M175 HydrophobicContact CB-CG 4.31Å; D151-M175 HydrophobicContact CB-SD 4.02Å; D151-G197 WeakPolarHBondContact OD1-CA 3.41Å; D151-T198 WeakPolarHBondContact OD1-CB 3Å; D151-T198 PolarHBondContact OD1-N 2.88Å; D151-T198 PolarHBondContact OD1-OG1 2.97Å
152V98.4Very high97.3Very high2 Ų224.8 Ų24.81%0.01211%0.11CC..  trans-69.9120.7177.8175.30000110.2L139 H149 Y157 Y201 D217 W221 M224L139-V152 HydrophobicContact CD1-CG1 4.37Å; L139-V152 HydrophobicContact CD1-CG2 4.04Å; L139-V152 HydrophobicContact CD2-CG2 3.75Å; H149-V152 HydrophobicContact CB-CG2 4.13Å; H149-V152 PolarHBondContact ND1-N 3.37Å; V152-Y157 HydrophobicContact CG1-CE2 4Å; V152-Y201 WeakPolarHBondContact O-CB 3.43Å; V152-D217 HydrophobicContact CG2-CB 4.25Å; V152-W221 HydrophobicContact CG1-CB 4.16Å; V152-M224 HydrophobicContact CG1-CE 4.16Å; V152-M224 HydrophobicContact CG1-SD 4.42Å
153K97.7Very high97Very high9 Ų930.6 Ų30.64%0.03915%0.147CC..SBendtrans-167.5161.3-179.561.7-173.2172.2-163.50111D151 Q155 N156 Y157 T198 Y201D151-K153 PolarHBondContact O-N 3.13Å; D151-K153 IonicContact OD1-NZ 3.19Å; D151-K153 PolarHBondContact OD1-NZ 2.88Å; D151-K153 WeakPolarHBondContact OD2-CE 3.39Å; D151-K153 IonicContact OD2-NZ 3.95Å; D151-K153 PolarHBondContact OD2-NZ 3.24Å; K153-Q155 HydrophobicContact CD-CB 4.18Å; K153-Q155 HydrophobicContact CD-CG 4.44Å; K153-Q155 HydrophobicContact CG-CB 4.04Å; K153-Q155 PolarHBondContact O-N 3.28Å; K153-N156 VanDerWaalsContact CE-ND2 3.32Å; K153-N156 WeakPolarHBondContact CE-ND2 3.36Å; K153-N156 HydrophobicContact CG-CB 4.21Å; K153-N156 PolarHBondContact O-N 2.83Å; K153-Y157 WeakPolarHBondContact O-CD2 3.24Å; K153-T198 HydrophobicContact CD-CG2 4.27Å; K153-T198 VanDerWaalsContact CD-OG1 3.23Å; K153-T198 WeakPolarHBondContact CD-OG1 3.46Å; K153-T198 PolarHBondContact NZ-OG1 3.5Å; K153-Y201 HydrophobicContact CB-CD2 3.47Å; K153-Y201 VanDerWaalsContact CB-CD2 3.47Å; K153-Y201 HydrophobicContact CB-CE2 3.81Å; K153-Y201 HydrophobicContact CB-CG 4.1Å
154P97.9Very high96.8Very high0 Ų035 Ų350%017%0.168CC..G310 helixtrans-54.5-25.2179.7-29.136.3000116.1F105 Q106 L109 Y201 M224 I228F105-P154 HydrophobicContact CB-CB 3.88Å; F105-P154 WeakPolarHBondContact CB-O 3.11Å; F105-P154 PolarHBondContact N-O 3.35Å; Q106-P154 HydrophobicContact CB-CB 4.03Å; Q106-P154 PolarHBondContact N-O 3.24Å; Q106-P154 VanDerWaalsContact N-O 3.14Å; L109-P154 HydrophobicContact CD1-CB 4.49Å; P154-Y201 WeakPolarHBondContact CD-OH 3.44Å; P154-Y201 HydrophobicContact CG-CE1 4.32Å; P154-Y201 HydrophobicContact CG-CE2 4.49Å; P154-Y201 WeakPolarHBondContact CG-OH 3.33Å; P154-M224 HydrophobicContact CG-CG 3.95Å; P154-M224 HydrophobicContact CG-SD 4.44Å; P154-I228 HydrophobicContact CG-CG2 4.44Å
155Q96Very high96.7Very high11 Ų1131.8 Ų31.85%0.05115%0.152CC..G310 helixtrans-69.3-35.3176.5-67.177.3-5.400112.9Q106 K153 Y157 H333 E338Q106-Q155 HydrophobicContact CB-CG 4.03Å; Q106-Q155 HydrophobicContact CG-CG 4.07Å; K153-Q155 HydrophobicContact CD-CB 4.18Å; K153-Q155 HydrophobicContact CD-CG 4.44Å; K153-Q155 HydrophobicContact CG-CB 4.04Å; K153-Q155 PolarHBondContact O-N 3.28Å; Q155-Y157 PolarHBondContact O-N 3.43Å; Q155-H333 PolarHBondContact O-NE2 3.25Å; Q155-E338 HydrophobicContact CG-CB 4.26Å; Q155-E338 VanDerWaalsContact CG-CD 3.45Å; Q155-E338 HydrophobicContact CG-CG 4.08Å; Q155-E338 WeakPolarHBondContact CG-OE2 3.29Å; Q155-E338 PolarHBondContact NE2-OE2 3.28Å
156N97.5Very high96.7Very high2 Ų233.1 Ų33.11%0.01116%0.157CC..G310 helixtrans-92.317.2-172.6-71.9-2.2000111.9D151 K153 L171D151-N156 PolarHBondContact O-ND2 2.85Å; D151-N156 PolarHBondContact OD2-ND2 3.24Å; K153-N156 VanDerWaalsContact CE-ND2 3.32Å; K153-N156 WeakPolarHBondContact CE-ND2 3.36Å; K153-N156 HydrophobicContact CG-CB 4.21Å; K153-N156 PolarHBondContact O-N 2.83Å; N156-L171 PolarHBondContact O-N 2.91Å
157Y98.5Very high96.7Very high0 Ų035.1 Ų35.10%017%0.165CC..EExtended strand (participates in β ladder)trans-132.5136.4169.3-68.8-91.3000110.4S104 F105 S135 A138 L139 V152 K153 Q155 V168 F169 I170 M224S104-Y157 CarbonylContact C-O 3.51Å; S104-Y157 VanDerWaalsContact CA-O 3.22Å; S104-Y157 WeakPolarHBondContact CA-O 3.39Å; S104-Y157 WeakPolarHBondContact CB-O 2.96Å; F105-Y157 HydrophobicContact CD2-CG 4.45Å; F105-Y157 VanDerWaalsContact CE2-CB 3.44Å; F105-Y157 HydrophobicContact CE2-CD1 4.49Å; F105-Y157 HydrophobicContact CE2-CD2 4.47Å; F105-Y157 AromaticContact CE2-CG 3.92Å; F105-Y157 HydrophobicContact CE2-CG 3.92Å; F105-Y157 VanDerWaalsContact CZ-CB 3.43Å; F105-Y157 HydrophobicContact CZ-CD1 4.42Å; F105-Y157 HydrophobicContact CZ-CG 4.12Å; F105-Y157 PolarHBondContact N-O 2.9Å; S135-Y157 PolarHBondContact O-OH 3.03Å; A138-Y157 HydrophobicContact CB-CE1 4.23Å; L139-Y157 WeakPolarHBondContact CG-OH 3.42Å; V152-Y157 HydrophobicContact CG1-CE2 4Å; K153-Y157 WeakPolarHBondContact O-CD2 3.24Å; Q155-Y157 PolarHBondContact O-N 3.43Å; Y157-V168 HydrophobicContact CD1-CG1 3.89Å; Y157-F169 VanDerWaalsContact CA-O 3.26Å; Y157-F169 WeakPolarHBondContact CA-O 3.48Å; Y157-I170 HydrophobicContact CD1-CB 4.03Å; Y157-I170 HydrophobicContact CD1-CG1 4.21Å; Y157-I170 HydrophobicContact CE1-CB 3.64Å; Y157-I170 HydrophobicContact CE1-CD1 3.88Å; Y157-I170 HydrophobicContact CE1-CG1 3.62Å; Y157-I170 HydrophobicContact CE2-CG1 4.37Å; Y157-I170 WeakPolarHBondContact OH-CD1 3.22Å; Y157-M224 HydrophobicContact CD2-CE 3.9Å; Y157-M224 HydrophobicContact CD2-SD 3.74Å; Y157-M224 HydrophobicContact CE2-CE 3.69Å; Y157-M224 HydrophobicContact CE2-SD 3.93Å
158S98.3Very high96.8Very high0 Ų034.7 Ų34.70%016%0.163CC..EExtended strand (participates in β ladder)trans-132.1155.2176.4-67.30000111.7P103 S104 V168 F169 L171 H333P103-S158 VanDerWaalsContact O-CA 3.29Å; P103-S158 WeakPolarHBondContact O-CA 3.41Å; P103-S158 WeakPolarHBondContact O-CB 3.09Å; S104-S158 WeakPolarHBondContact CA-OG 3.44Å; S158-V168 CarbonylContact O-C 3.54Å; S158-V168 WeakPolarHBondContact O-CA 3.35Å; S158-F169 PolarHBondContact N-O 3.44Å; S158-F169 PolarHBondContact O-N 3.16Å; S158-L171 WeakPolarHBondContact OG-CD1 3.47Å; S158-H333 WeakPolarHBondContact OG-CB 3.31Å
159I98.2Very high96.8Very high8 Ų834.8 Ų34.84%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-82.8161.6167.460.3166.1000110.5G102 P103 F105 M108 L131 K167 W317G102-I159 WeakPolarHBondContact CA-O 3.44Å; G102-I159 PolarHBondContact N-O 3.35Å; P103-I159 PolarHBondContact O-N 3.5Å; F105-I159 HydrophobicContact CE1-CG2 4.38Å; M108-I159 HydrophobicContact CE-CD1 4.44Å; M108-I159 HydrophobicContact CE-CG1 4.29Å; M108-I159 HydrophobicContact CE-CG2 3.74Å; M108-I159 HydrophobicContact SD-CD1 3.87Å; M108-I159 HydrophobicContact SD-CG1 4.29Å; M108-I159 HydrophobicContact SD-CG2 4.47Å; L131-I159 HydrophobicContact CD2-CG2 4.02Å; I159-K167 CarbonylContact C-O 3.58Å; I159-K167 VanDerWaalsContact CA-O 3.3Å; I159-K167 WeakPolarHBondContact CA-O 3.49Å; I159-W317 HydrophobicContact CD1-CD2 3.97Å; I159-W317 HydrophobicContact CD1-CG 3.84Å; I159-W317 HydrophobicContact CG2-CH2 4.03Å; I159-W317 HydrophobicContact CG2-CZ2 3.69Å
160G96.8Very high96.8Very high3 Ų334.9 Ų34.93%0.03116%0.164CC..  trans-70.4175.6172.500000113.6E164 K167G160-E164 WeakPolarHBondContact CA-O 3.39Å; G160-K167 PolarHBondContact N-O 2.75Å
161R95.3Very high96.8Very high78 Ų7834 Ų3429%0.29416%0.161SC..  trans-98.1166.9166.9-63-175.1173.9-160.31.5109.1E39 L100 V101 P163 E164 Y165E39-R161 IonicContact OE1-NH1 2.92Å; E39-R161 PolarHBondContact OE1-NH1 2.87Å; L100-R161 VanDerWaalsContact CG-NH2 3.3Å; L100-R161 WeakPolarHBondContact O-CD 3.34Å; V101-R161 PolarHBondContact O-NE 3.45Å; V101-R161 PolarHBondContact O-NH2 3.45Å; R161-P163 CarbonylContact O-C 3.58Å; R161-E164 CarbonylContact O-C 3.59Å; R161-E164 WeakPolarHBondContact O-CA 3.44Å; R161-E164 PolarHBondContact O-N 3.08Å; R161-Y165 PolarHBondContact O-N 3.27Å; R161-Y165 VanDerWaalsContact O-N 3.11Å
162E91.6Very high96.5Very high173 Ų17334.6 Ų34.681%0.80817%0.165SC*.THydrogen-bonded Turntrans-54139.7170.6-69.2-172.1178.700111Y165E162-Y165 HydrophobicContact CG-CD1 4.09Å
163P92.4Very high96.3Very high122 Ų12234.7 Ų34.779%0.79217%0.165SC*.THydrogen-bonded Turncis-84.8-9.1-0.234.5-35.4000114.3R161 Y165R161-P163 CarbonylContact O-C 3.58Å; P163-Y165 VanDerWaalsContact C-N 3.26Å; P163-Y165 PolarHBondContact O-N 3.24Å
164E94.5Very high95.8Very high97 Ų9735.5 Ų35.545%0.45318%0.176SC..SBendtrans-85.633.1-177.1-65.3-173.796.400113.9G160 R161 R166 K167G160-E164 WeakPolarHBondContact CA-O 3.39Å; R161-E164 CarbonylContact O-C 3.59Å; R161-E164 WeakPolarHBondContact O-CA 3.44Å; R161-E164 PolarHBondContact O-N 3.08Å; E164-R166 PolarHBondContact O-N 2.82Å; E164-K167 HydrophobicContact CB-CB 4.17Å; E164-K167 VanDerWaalsContact O-CB 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.36Å; E164-K167 PolarHBondContact O-N 2.91Å; E164-K167 WeakPolarHBondContact OE1-CD 3.2Å; E164-K167 IonicContact OE1-NZ 2.84Å; E164-K167 PolarHBondContact OE1-NZ 3.15Å
165Y95.1Very high95.5Very high79 Ų7938.4 Ų38.431%0.3119%0.19SC..THydrogen-bonded Turntrans-67.1-11-172.264.5-100.8000114R161 E162 P163 W317 E318R161-Y165 PolarHBondContact O-N 3.27Å; R161-Y165 VanDerWaalsContact O-N 3.11Å; E162-Y165 HydrophobicContact CG-CD1 4.09Å; P163-Y165 VanDerWaalsContact C-N 3.26Å; P163-Y165 PolarHBondContact O-N 3.24Å; Y165-W317 AromaticContact CD2-CD1 3.95Å; Y165-W317 AromaticContact CD2-NE1 3.8Å; Y165-W317 PolarHBondContact O-NE1 2.91Å; Y165-E318 HydrophobicContact CD2-CG 4.12Å; Y165-E318 VanDerWaalsContact CE2-CD 3.45Å; Y165-E318 HydrophobicContact CE2-CG 3.42Å; Y165-E318 VanDerWaalsContact CE2-CG 3.42Å; Y165-E318 WeakPolarHBondContact CE2-OE1 3.38Å; Y165-E318 VanDerWaalsContact CZ-OE1 3.3Å; Y165-E318 PolarHBondContact OH-OE1 3.17Å
166R97.4Very high95.5Very high62 Ų6238 Ų3823%0.23419%0.189CC..THydrogen-bonded Turntrans-88.6-15.6170.5-61.9-167.6169.3-169.3-8.2113.2H130 E164 E311 L315 E318H130-R166 PolarHBondContact CE1-O 3.23Å; H130-R166 PolarHBondContact NE2-O 2.68Å; E164-R166 PolarHBondContact O-N 2.82Å; R166-E311 PolarHBondContact NH1-O 3.35Å; R166-L315 HydrophobicContact CB-CD1 4.27Å; R166-L315 HydrophobicContact CG-CD1 3.81Å; R166-E318 IonicContact CZ-OE1 3.41Å; R166-E318 VanDerWaalsContact CZ-OE1 3.27Å; R166-E318 IonicContact CZ-OE2 3.97Å; R166-E318 VanDerWaalsContact NE-CD 3.32Å; R166-E318 IonicContact NE-OE1 2.88Å; R166-E318 PolarHBondContact NE-OE1 2.92Å; R166-E318 IonicContact NE-OE2 3.91Å; R166-E318 PolarHBondContact NE-OE2 2.9Å; R166-E318 VanDerWaalsContact NH2-CD 3.27Å; R166-E318 IonicContact NH2-OE1 3.08Å; R166-E318 PolarHBondContact NH2-OE1 3.25Å; R166-E318 IonicContact NH2-OE2 3.96Å; R166-E318 PolarHBondContact NH2-OE2 3.1Å
167K98.1Very high95.3Very high46 Ų4640.3 Ų40.320%0.220%0.197CC..  trans-68.9145.7177.4-170.4167.5177.6-177.90109.9I159 G160 E164 F169I159-K167 CarbonylContact C-O 3.58Å; I159-K167 VanDerWaalsContact CA-O 3.3Å; I159-K167 WeakPolarHBondContact CA-O 3.49Å; G160-K167 PolarHBondContact N-O 2.75Å; E164-K167 HydrophobicContact CB-CB 4.17Å; E164-K167 VanDerWaalsContact O-CB 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.36Å; E164-K167 PolarHBondContact O-N 2.91Å; E164-K167 WeakPolarHBondContact OE1-CD 3.2Å; E164-K167 IonicContact OE1-NZ 2.84Å; E164-K167 PolarHBondContact OE1-NZ 3.15Å; K167-F169 HydrophobicContact CB-CE2 4.02Å; K167-F169 HydrophobicContact CB-CZ 4.35Å; K167-F169 HydrophobicContact CD-CE1 4.15Å; K167-F169 HydrophobicContact CD-CE2 4.08Å; K167-F169 HydrophobicContact CD-CZ 3.57Å; K167-F169 HydrophobicContact CG-CE1 4.46Å; K167-F169 HydrophobicContact CG-CE2 3.84Å; K167-F169 HydrophobicContact CG-CZ 3.84Å
168V98.6Very high95.2Very high0 Ų044 Ų440%021%0.213CC..EExtended strand (participates in β ladder)trans-111.7144.4174.1170.60000108.6H80 F105 L131 C134 Y157 S158H80-V168 VanDerWaalsContact CA-O 3.31Å; H80-V168 WeakPolarHBondContact CA-O 3.44Å; H80-V168 WeakPolarHBondContact CB-O 3.46Å; H80-V168 PolarHBondContact ND1-O 3.14Å; H80-V168 VanDerWaalsContact ND1-O 3.14Å; F105-V168 HydrophobicContact CE1-CG1 4.05Å; F105-V168 HydrophobicContact CE1-CG2 4.26Å; F105-V168 HydrophobicContact CZ-CG1 3.64Å; F105-V168 HydrophobicContact CZ-CG2 4.16Å; L131-V168 HydrophobicContact CD2-CG2 3.83Å; C134-V168 HydrophobicContact CB-CB 3.59Å; C134-V168 HydrophobicContact CB-CG1 4.22Å; C134-V168 HydrophobicContact CB-CG2 3.66Å; Y157-V168 HydrophobicContact CD1-CG1 3.89Å; S158-V168 CarbonylContact O-C 3.54Å; S158-V168 WeakPolarHBondContact O-CA 3.35Å
169F98.6Very high95.1Very high3 Ų345.2 Ų45.21%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-122.3124.6178.5-63.8-90.9000108.9H80 T99 V101 Y157 S158 K167 L171H80-F169 CarbonylContact O-C 3.59Å; H80-F169 WeakPolarHBondContact O-CA 3.46Å; T99-F169 HydrophobicContact CG2-CE1 4Å; T99-F169 HydrophobicContact CG2-CZ 4.05Å; V101-F169 HydrophobicContact CB-CD2 4.38Å; V101-F169 HydrophobicContact CG1-CB 3.93Å; V101-F169 HydrophobicContact CG1-CD1 4.2Å; V101-F169 HydrophobicContact CG1-CD2 3.8Å; V101-F169 HydrophobicContact CG1-CE2 4.38Å; V101-F169 HydrophobicContact CG1-CG 3.7Å; Y157-F169 VanDerWaalsContact CA-O 3.26Å; Y157-F169 WeakPolarHBondContact CA-O 3.48Å; S158-F169 PolarHBondContact N-O 3.44Å; S158-F169 PolarHBondContact O-N 3.16Å; K167-F169 HydrophobicContact CB-CE2 4.02Å; K167-F169 HydrophobicContact CB-CZ 4.35Å; K167-F169 HydrophobicContact CD-CE1 4.15Å; K167-F169 HydrophobicContact CD-CE2 4.08Å; K167-F169 HydrophobicContact CD-CZ 3.57Å; K167-F169 HydrophobicContact CG-CE1 4.46Å; K167-F169 HydrophobicContact CG-CE2 3.84Å; K167-F169 HydrophobicContact CG-CZ 3.84Å; F169-L171 HydrophobicContact CB-CD2 4Å
170I98.5Very high95.1Very high1 Ų146.7 Ų46.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-79136.2162.9-165.4171.1000109.2H80 V81 A138 L139 M142 H149 Y157 F173H80-I170 WeakPolarHBondContact O-CG2 3.34Å; H80-I170 PolarHBondContact O-N 2.7Å; V81-I170 HydrophobicContact CG1-CG2 4.07Å; A138-I170 HydrophobicContact CB-CB 3.97Å; A138-I170 HydrophobicContact CB-CD1 4.36Å; A138-I170 HydrophobicContact CB-CG2 3.99Å; L139-I170 HydrophobicContact CD2-CD1 3.91Å; M142-I170 HydrophobicContact SD-CD1 3.76Å; H149-I170 HydrophobicContact CB-CD1 4.41Å; H149-I170 VanDerWaalsContact CD2-CD1 3.42Å; H149-I170 WeakPolarHBondContact CD2-CD1 3.22Å; Y157-I170 HydrophobicContact CD1-CB 4.03Å; Y157-I170 HydrophobicContact CD1-CG1 4.21Å; Y157-I170 HydrophobicContact CE1-CB 3.64Å; Y157-I170 HydrophobicContact CE1-CD1 3.88Å; Y157-I170 HydrophobicContact CE1-CG1 3.62Å; Y157-I170 HydrophobicContact CE2-CG1 4.37Å; Y157-I170 WeakPolarHBondContact OH-CD1 3.22Å; I170-F173 HydrophobicContact CG2-CE1 3.94Å; I170-F173 HydrophobicContact CG2-CZ 3.8Å
171L95.8Very high95Very high10 Ų1050.2 Ų50.25%0.05224%0.24CC..  trans-127.8164.3-171.4-53.7179.8000111.1V101 H149 N156 S158 F169 H333 M335V101-L171 HydrophobicContact CG1-CD2 4.32Å; V101-L171 HydrophobicContact CG2-CD1 4.21Å; H149-L171 PolarHBondContact NE2-O 3.32Å; H149-L171 VanDerWaalsContact NE2-O 3.08Å; N156-L171 PolarHBondContact O-N 2.91Å; S158-L171 WeakPolarHBondContact OG-CD1 3.47Å; F169-L171 HydrophobicContact CB-CD2 4Å; L171-H333 WeakPolarHBondContact CD1-ND1 3.29Å; L171-M335 HydrophobicContact CD1-SD 4.22Å; L171-M335 HydrophobicContact CD2-CE 4.11Å
172D91.3Very high94.9Very high20 Ų2052.1 Ų52.111%0.10727%0.273CS..  trans58.780.6174.8-169.47.2000115H149 G174 P337H149-D172 PolarHBondContact NE2-O 3.44Å; D172-G174 PolarHBondContact O-N 3.29Å; D172-G174 PolarHBondContact OD1-N 3.19Å; D172-P337 WeakPolarHBondContact OD2-CB 3.28Å; D172-P337 WeakPolarHBondContact OD2-CG 3.43Å
173F93.5Very high95Very high4 Ų449 Ų492%0.01826%0.262CS..G310 helixtrans-84.311.6174.8-52.5-79.3000113.3E66 V69 L70 L73 V81 M142 I170 M175 S176E66-F173 HydrophobicContact CG-CB 4.26Å; E66-F173 HydrophobicContact CG-CD2 4.09Å; V69-F173 HydrophobicContact CB-CB 4.11Å; V69-F173 HydrophobicContact CB-CG 4.31Å; V69-F173 HydrophobicContact CG1-CB 4.08Å; V69-F173 HydrophobicContact CG1-CD1 3.64Å; V69-F173 HydrophobicContact CG1-CE1 4.24Å; V69-F173 HydrophobicContact CG1-CG 3.87Å; L70-F173 HydrophobicContact CB-CE2 4.46Å; L70-F173 HydrophobicContact CD1-CE2 3.75Å; L70-F173 HydrophobicContact CD1-CZ 4.19Å; L73-F173 HydrophobicContact CD1-CE1 3.83Å; L73-F173 HydrophobicContact CD1-CZ 4.09Å; V81-F173 HydrophobicContact CG1-CZ 4.39Å; M142-F173 HydrophobicContact CE-CD1 3.79Å; M142-F173 HydrophobicContact CE-CE1 3.95Å; M142-F173 HydrophobicContact SD-CD1 4.29Å; M142-F173 HydrophobicContact SD-CE1 3.86Å; I170-F173 HydrophobicContact CG2-CE1 3.94Å; I170-F173 HydrophobicContact CG2-CZ 3.8Å; F173-M175 PolarHBondContact O-N 2.76Å; F173-M175 VanDerWaalsContact O-N 3.12Å; F173-S176 WeakPolarHBondContact CA-OG 3.44Å; F173-S176 VanDerWaalsContact O-CB 3.28Å; F173-S176 WeakPolarHBondContact O-CB 3.3Å; F173-S176 PolarHBondContact O-N 2.83Å; F173-S176 PolarHBondContact O-OG 3.41Å
174G88.5Confident95.1Very high26 Ų2645.8 Ų45.827%0.26825%0.25SS..G310 helixtrans-62.7-21.2-177.300000113.9D172D172-G174 PolarHBondContact O-N 3.29Å; D172-G174 PolarHBondContact OD1-N 3.19Å
175M91Very high95.1Very high61 Ų6144.1 Ų44.130%0.325%0.247SC..G310 helixtrans-100.60.5172.6-64.4-149.1-179.800113.9H149 R150 D151 F173 R196 G197H149-M175 CarbonylContact O-C 3.45Å; R150-M175 HydrophobicContact CB-CB 4.48Å; R150-M175 PolarHBondContact NE-O 2.83Å; R150-M175 PolarHBondContact NH2-O 2.84Å; D151-M175 HydrophobicContact CB-CB 4.27Å; D151-M175 HydrophobicContact CB-CG 4.31Å; D151-M175 HydrophobicContact CB-SD 4.02Å; F173-M175 PolarHBondContact O-N 2.76Å; F173-M175 VanDerWaalsContact O-N 3.12Å; M175-R196 HydrophobicContact SD-CB 4.08Å; M175-G197 PolarHBondContact SD-N 2.71Å; M175-G197 VanDerWaalsContact SD-N 3.42Å
176S95.3Very high95.1Very high3 Ų342.9 Ų42.92%0.02124%0.244CC..  trans-63.7159.4-174.7-71.60000113.1L65 L148 R150 F173L65-S176 WeakPolarHBondContact CD2-O 3.39Å; L148-S176 CarbonylContact O-C 3.46Å; L148-S176 WeakPolarHBondContact O-CA 3.35Å; L148-S176 WeakPolarHBondContact O-CB 3.05Å; L148-S176 PolarHBondContact O-OG 3.18Å; R150-S176 PolarHBondContact NH2-O 2.9Å; F173-S176 WeakPolarHBondContact CA-OG 3.44Å; F173-S176 VanDerWaalsContact O-CB 3.28Å; F173-S176 WeakPolarHBondContact O-CB 3.3Å; F173-S176 PolarHBondContact O-N 2.83Å; F173-S176 PolarHBondContact O-OG 3.41Å
177R95Very high95Very high50 Ų5044.7 Ų44.719%0.18925%0.251CS..EExtended strand (participates in β ladder)trans-150.1133.8176.8-179.5179.8178.7-1355.6111.5Y147 L148 Y179 D211Y147-R177 CarbonylContact C-O 3.59Å; Y147-R177 WeakPolarHBondContact CA-O 3.49Å; L148-R177 PolarHBondContact N-O 2.83Å; L148-R177 PolarHBondContact O-N 3.33Å; R177-Y179 PolarHBondContact O-N 2.97Å; R177-D211 IonicContact CZ-OD1 2.7Å; R177-D211 IonicContact CZ-OD2 3.42Å; R177-D211 VanDerWaalsContact NH1-CG 3.28Å; R177-D211 IonicContact NH1-OD1 3.27Å; R177-D211 PolarHBondContact NH1-OD1 3.04Å; R177-D211 IonicContact NH1-OD2 2.83Å; R177-D211 PolarHBondContact NH1-OD2 3.07Å; R177-D211 IonicContact NH2-OD2 3.07Å
178K96.1Very high94.9Very high79 Ų7952.7 Ų52.734%0.34328%0.28SS..EExtended strand (participates in β ladder)trans-71.9112169.2-149.1167.4-166.9148.60110.3E72 G146 Y147 R187E72-K178 VanDerWaalsContact CD-NZ 3.33Å; E72-K178 IonicContact OE1-NZ 3.75Å; E72-K178 PolarHBondContact OE1-NZ 2.87Å; E72-K178 IonicContact OE2-NZ 3.63Å; E72-K178 PolarHBondContact OE2-NZ 2.7Å; G146-K178 CarbonylContact O-C 3.15Å; G146-K178 VanDerWaalsContact O-CA 3.24Å; G146-K178 WeakPolarHBondContact O-CA 3.38Å; G146-K178 WeakPolarHBondContact O-CG 3.45Å; Y147-K178 HydrophobicContact CD1-CB 4.02Å; Y147-K178 HydrophobicContact CD1-CG 4.2Å; Y147-K178 HydrophobicContact CE1-CB 3.73Å; Y147-K178 HydrophobicContact CE1-CD 4.04Å; Y147-K178 HydrophobicContact CE1-CG 3.84Å; Y147-K178 HydrophobicContact CE2-CD 4.44Å; Y147-K178 PolarHBondContact OH-NZ 3.11Å; K178-R187 PolarHBondContact O-NE 2.95Å
179Y96.6Very high94.8Very high24 Ų2456.3 Ų56.39%0.09430%0.303CS..  trans-96.1-17.8-179.778.3-81000112.9H143 G146 L148 R177 Q186 R187 P214H143-Y179 PolarHBondContact O-OH 2.77Å; G146-Y179 VanDerWaalsContact CA-CE1 3.47Å; G146-Y179 WeakPolarHBondContact O-CD1 3.45Å; G146-Y179 PolarHBondContact O-N 2.87Å; L148-Y179 HydrophobicContact CD1-CG 4.45Å; L148-Y179 HydrophobicContact CD2-CD1 3.59Å; L148-Y179 HydrophobicContact CD2-CE1 4.05Å; L148-Y179 HydrophobicContact CD2-CG 3.96Å; L148-Y179 HydrophobicContact CG-CD1 3.75Å; L148-Y179 HydrophobicContact CG-CG 4.02Å; R177-Y179 PolarHBondContact O-N 2.97Å; Y179-Q186 HydrophobicContact CD2-CG 4Å; Y179-Q186 HydrophobicContact CE2-CG 4.49Å; Y179-R187 WeakPolarHBondContact O-CB 3.26Å; Y179-R187 VanDerWaalsContact O-CG 3.29Å; Y179-R187 WeakPolarHBondContact O-CG 3.46Å; Y179-R187 PolarHBondContact O-N 3.28Å; Y179-P214 HydrophobicContact CD2-CG 4.3Å; Y179-P214 HydrophobicContact CE1-CG 4.12Å; Y179-P214 HydrophobicContact CE2-CG 3.71Å
180I96.8Very high94.6Very high39 Ų3960.8 Ų60.820%0.232%0.32CS..BIsolated β-bridgetrans-91.6139170.9-59.4-60.5000109.7G146 Q186G146-I180 PolarHBondContact O-N 2.94Å; I180-Q186 HydrophobicContact CD1-CB 4.07Å
181K95.2Very high94.2Very high77 Ų7770.7 Ų70.734%0.33537%0.366SS..  trans-84171.7174.6-65.3-175.3-158.2158.60111.1D183 G184 T185 R187K181-D183 WeakPolarHBondContact CB-OD1 3.31Å; K181-D183 PolarHBondContact O-N 3.04Å; K181-G184 PolarHBondContact O-N 3.38Å; K181-T185 WeakPolarHBondContact CB-O 3.28Å; K181-T185 PolarHBondContact N-O 2.8Å; K181-R187 HydrophobicContact CG-CG 3.73Å
182A92.7Very high93.9Very high119 Ų11980.6 Ų80.698%0.98340%0.403SS*.THydrogen-bonded Turntrans-60.9-27.9176.900000113.3G184A182-G184 PolarHBondContact O-N 3.3Å
183D94.8Very high93.8Very high108 Ų10880 Ų8058%0.57840%0.401SS*.THydrogen-bonded Turntrans-80.14.6175.964.88.5000113.5K181 T185K181-D183 WeakPolarHBondContact CB-OD1 3.31Å; K181-D183 PolarHBondContact O-N 3.04Å; D183-T185 VanDerWaalsContact C-N 3.25Å; D183-T185 VanDerWaalsContact CG-OG1 3.27Å; D183-T185 PolarHBondContact O-N 3.49Å; D183-T185 VanDerWaalsContact OD1-CB 3.31Å; D183-T185 WeakPolarHBondContact OD1-CB 3.29Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.46Å; D183-T185 PolarHBondContact OD1-N 3.19Å; D183-T185 PolarHBondContact OD1-OG1 3.39Å; D183-T185 PolarHBondContact OD2-OG1 2.91Å
184G92.9Very high93.6Very high54 Ų5485.6 Ų85.656%0.55743%0.431SS*.SBendtrans80.1-3.9-177.500000114.9K181 A182K181-G184 PolarHBondContact O-N 3.38Å; A182-G184 PolarHBondContact O-N 3.3Å
185T94.8Very high93.7Very high62 Ų6286.2 Ų86.238%0.3843%0.426SS..PPolyproline II helixtrans-83.5146.6-179.768.20000112K181 D183K181-T185 WeakPolarHBondContact CB-O 3.28Å; K181-T185 PolarHBondContact N-O 2.8Å; D183-T185 VanDerWaalsContact C-N 3.25Å; D183-T185 VanDerWaalsContact CG-OG1 3.27Å; D183-T185 PolarHBondContact O-N 3.49Å; D183-T185 VanDerWaalsContact OD1-CB 3.31Å; D183-T185 WeakPolarHBondContact OD1-CB 3.29Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.46Å; D183-T185 PolarHBondContact OD1-N 3.19Å; D183-T185 PolarHBondContact OD1-OG1 3.39Å; D183-T185 PolarHBondContact OD2-OG1 2.91Å
186Q95.5Very high93.5Very high52 Ų5289 Ų8924%0.24343%0.434CS..BIsolated β-bridgetrans-68.5137.9171.7176.9165.3-8.800110.8Y179 I180 R188 Y287Y179-Q186 HydrophobicContact CD2-CG 4Å; Y179-Q186 HydrophobicContact CE2-CG 4.49Å; I180-Q186 HydrophobicContact CD1-CB 4.07Å; Q186-R188 PolarHBondContact O-N 2.99Å; Q186-Y287 HydrophobicContact CG-CE1 4.24Å; Q186-Y287 PolarHBondContact NE2-O 2.81Å
187R96.3Very high93.2Very high101 Ų10189.5 Ų89.538%0.38144%0.439SS..PPolyproline II helixtrans-63.7134.7173.6-70.5176.9-178.3-76.4-3.6110K178 Y179 K181 Y287K178-R187 PolarHBondContact O-NE 2.95Å; Y179-R187 WeakPolarHBondContact O-CB 3.26Å; Y179-R187 VanDerWaalsContact O-CG 3.29Å; Y179-R187 WeakPolarHBondContact O-CG 3.46Å; Y179-R187 PolarHBondContact O-N 3.28Å; K181-R187 HydrophobicContact CG-CG 3.73Å; R187-Y287 VanDerWaalsContact O-CE1 3.27Å; R187-Y287 WeakPolarHBondContact O-CE1 3.46Å; R187-Y287 PolarHBondContact O-OH 3.28Å
188R95.5Very high93.1Very high213 Ų21388.7 Ų88.780%0.80444%0.439SS*.PPolyproline II helixtrans-56.8144.6170-66.2-175.1-179.2-174.90110Q186 R190Q186-R188 PolarHBondContact O-N 2.99Å; R188-R190 PolarHBondContact O-N 3.16Å
189P95.6Very high93.1Very high76 Ų7685.2 Ų85.249%0.49442%0.424SS..PPolyproline II helixtrans-62138.5176.626.8-33.2000109.6D211 Y287P189-D211 HydrophobicContact CB-CB 4.12Å; P189-Y287 HydrophobicContact CB-CD1 4.26Å; P189-Y287 HydrophobicContact CB-CD2 4.03Å; P189-Y287 HydrophobicContact CB-CE1 4.03Å; P189-Y287 HydrophobicContact CB-CE2 3.8Å; P189-Y287 HydrophobicContact CB-CG 4.27Å; P189-Y287 HydrophobicContact CG-CD1 4.25Å; P189-Y287 HydrophobicContact CG-CE1 4.22Å
190R94.1Very high93Very high97 Ų9785.6 Ų85.637%0.36643%0.427SS..PPolyproline II helixtrans-67.7139.7167.6-67.6172.5-72.1161.34.8109.1R188 R192 D211R188-R190 PolarHBondContact O-N 3.16Å; R190-R192 PolarHBondContact O-N 2.96Å; R190-D211 HydrophobicContact CB-CB 4.31Å; R190-D211 WeakPolarHBondContact CG-OD2 3.41Å; R190-D211 IonicContact CZ-OD1 2.84Å; R190-D211 IonicContact CZ-OD2 3.19Å; R190-D211 PolarHBondContact N-OD2 3.36Å; R190-D211 VanDerWaalsContact NE-CG 3.3Å; R190-D211 IonicContact NE-OD1 3.06Å; R190-D211 PolarHBondContact NE-OD1 3.04Å; R190-D211 IonicContact NE-OD2 2.91Å; R190-D211 PolarHBondContact NE-OD2 2.98Å; R190-D211 IonicContact NH2-OD1 2.9Å; R190-D211 PolarHBondContact NH2-OD1 3.13Å; R190-D211 IonicContact NH2-OD2 3.37Å
191E91.1Very high93Very high210 Ų21083.9 Ų83.998%0.98142%0.418SS*.SBendtrans-54.8-35.7175.8-66.7179.4177.700112.3
192R89.4Confident93.2Very high217 Ų21780.4 Ų80.482%0.81940%0.403SS*.SBendtrans-143130172.5-164.8169.8-178.1168.4-0.1110.6R190R190-R192 PolarHBondContact O-N 2.96Å
193A90.2Very high93.4Very high7 Ų774.8 Ų74.86%0.05836%0.357CS..  trans-113.9135.9174.200000110.3G209 D211A193-G209 PolarHBondContact N-O 3.3Å; A193-G209 WeakPolarHBondContact O-CA 3.43Å; A193-D211 HydrophobicContact CB-CB 4.35Å
194N89.3Confident93.6Very high123 Ų12370.6 Ų70.666%0.65834%0.335SS*.  trans-67.6135.5167.1-70.9-30.4000109.4R196N194-R196 PolarHBondContact O-N 2.9Å
195F90.1Very high93.8Very high38 Ų3868.7 Ų68.717%0.16731%0.313CS..  trans-55134.9176.3176.1-111.2000111.7G197 L199 A202 A206 L207 M246 A250F195-G197 WeakPolarHBondContact CE1-O 3.29Å; F195-G197 VanDerWaalsContact CZ-O 3.28Å; F195-G197 WeakPolarHBondContact CZ-O 3.13Å; F195-L199 HydrophobicContact CE1-CD2 3.85Å; F195-L199 HydrophobicContact CE1-CG 4.32Å; F195-L199 HydrophobicContact CZ-CD2 4.05Å; F195-A202 HydrophobicContact CE2-CB 3.54Å; F195-A202 HydrophobicContact CZ-CB 3.84Å; F195-A206 WeakPolarHBondContact CD2-O 3.31Å; F195-A206 HydrophobicContact CE2-CB 4.48Å; F195-L207 HydrophobicContact CD2-CD2 4.28Å; F195-L207 HydrophobicContact CE2-CD2 3.64Å; F195-L207 HydrophobicContact CE2-CG 4.21Å; F195-L207 HydrophobicContact CZ-CD2 3.9Å; F195-M246 HydrophobicContact CD1-CE 4.03Å; F195-M246 HydrophobicContact CE1-CE 3.62Å; F195-A250 HydrophobicContact CD1-CB 4.45Å; F195-A250 HydrophobicContact CG-CB 4.32Å
196R85.7Confident93.9Very high121 Ų12165.9 Ų65.946%0.45730%0.296SS..  trans-137.4142.6172.1-68.1-66-175.1-114.79.1108.2M175 N194M175-R196 HydrophobicContact SD-CB 4.08Å; N194-R196 PolarHBondContact O-N 2.9Å
197G89.1Confident94Very high12 Ų1263.7 Ų63.712%0.12429%0.286CS..SBendtrans111.5-175.4-177.400000113.6R150 D151 M175 F195R150-G197 WeakPolarHBondContact O-CA 3.19Å; D151-G197 WeakPolarHBondContact OD1-CA 3.41Å; M175-G197 PolarHBondContact SD-N 2.71Å; M175-G197 VanDerWaalsContact SD-N 3.42Å; F195-G197 WeakPolarHBondContact CE1-O 3.29Å; F195-G197 VanDerWaalsContact CZ-O 3.28Å; F195-G197 WeakPolarHBondContact CZ-O 3.13Å
198T93.7Very high94Very high34 Ų3462.9 Ų62.921%0.20929%0.288CS..  trans-99.2121.8-177-63.70000110.3D151 K153 F200 Y201 A202D151-T198 WeakPolarHBondContact OD1-CB 3Å; D151-T198 PolarHBondContact OD1-N 2.88Å; D151-T198 PolarHBondContact OD1-OG1 2.97Å; K153-T198 HydrophobicContact CD-CG2 4.27Å; K153-T198 VanDerWaalsContact CD-OG1 3.23Å; K153-T198 WeakPolarHBondContact CD-OG1 3.46Å; K153-T198 PolarHBondContact NZ-OG1 3.5Å; T198-F200 PolarHBondContact O-N 3Å; T198-Y201 HydrophobicContact CG2-CD2 3.98Å; T198-Y201 PolarHBondContact O-N 3.45Å; T198-A202 WeakPolarHBondContact O-CB 3.11Å; T198-A202 PolarHBondContact O-N 2.93Å
199L95.6Very high94Very high5 Ų553.7 Ų53.73%0.02626%0.259CS..THydrogen-bonded Turntrans-44.8-43.4-173.4-71.3171.5000113.5F195 Y201 L207 M246 Q249 A250 Y253 K257F195-L199 HydrophobicContact CE1-CD2 3.85Å; F195-L199 HydrophobicContact CE1-CG 4.32Å; F195-L199 HydrophobicContact CZ-CD2 4.05Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 2.66Å; L199-L207 HydrophobicContact CD2-CD2 3.71Å; L199-M246 HydrophobicContact CD1-CE 3.62Å; L199-M246 HydrophobicContact CD1-SD 3.8Å; L199-M246 HydrophobicContact CD2-CE 3.73Å; L199-M246 HydrophobicContact CD2-SD 4.44Å; L199-M246 HydrophobicContact CG-CE 3.43Å; L199-M246 VanDerWaalsContact CG-CE 3.43Å; L199-M246 HydrophobicContact CG-SD 4.25Å; L199-Q249 HydrophobicContact CD1-CB 3.84Å; L199-Q249 VanDerWaalsContact CD1-OE1 3.31Å; L199-Q249 HydrophobicContact CD2-CB 4.47Å; L199-A250 VanDerWaalsContact CD2-CA 3.49Å; L199-A250 HydrophobicContact CD2-CB 3.85Å; L199-Y253 HydrophobicContact CB-CD2 3.86Å; L199-Y253 HydrophobicContact CB-CE2 4.15Å; L199-Y253 HydrophobicContact CD1-CD2 4.19Å; L199-Y253 HydrophobicContact CD1-CE2 4.21Å; L199-Y253 HydrophobicContact CD2-CD2 4.34Å; L199-Y253 HydrophobicContact CG-CD2 4.36Å; L199-K257 WeakPolarHBondContact O-CE 3.47Å; L199-K257 PolarHBondContact O-NZ 3.23Å
200F94.5Very high94Very high32 Ų3255.1 Ų55.114%0.1426%0.259CS..THydrogen-bonded Turntrans-66-32.1-175.7-154.5-113.9000113.4T198 V233 W235 R236 K257T198-F200 PolarHBondContact O-N 3Å; F200-V233 HydrophobicContact CD1-CG2 4.09Å; F200-V233 HydrophobicContact CE1-CB 4.47Å; F200-V233 HydrophobicContact CE1-CG1 4.38Å; F200-V233 HydrophobicContact CE1-CG2 3.3Å; F200-V233 HydrophobicContact CE2-CG2 3.84Å; F200-V233 HydrophobicContact CZ-CG2 3.16Å; F200-W235 AromaticContact CD2-CD1 3.86Å; F200-W235 AromaticContact CD2-NE1 3.95Å; F200-W235 AromaticContact CE2-CD1 3.74Å; F200-W235 PolarHBondContact O-NE1 2.97Å; F200-W235 VanDerWaalsContact O-NE1 3.08Å; F200-R236 HydrophobicContact CZ-CB 4.39Å; F200-K257 VanDerWaalsContact C-NZ 3.29Å; F200-K257 PolarHBondContact O-NZ 3.37Å
201Y97.9Very high94.1Very high4 Ų450.7 Ų50.72%0.01624%0.242CC..THydrogen-bonded Turntrans-110.7-16.9-176.2-58.8-74.3000114.1V152 K153 P154 T198 L199 S220 F223 M224 R227V152-Y201 WeakPolarHBondContact O-CB 3.43Å; K153-Y201 HydrophobicContact CB-CD2 3.47Å; K153-Y201 VanDerWaalsContact CB-CD2 3.47Å; K153-Y201 HydrophobicContact CB-CE2 3.81Å; K153-Y201 HydrophobicContact CB-CG 4.1Å; P154-Y201 WeakPolarHBondContact CD-OH 3.44Å; P154-Y201 HydrophobicContact CG-CE1 4.32Å; P154-Y201 HydrophobicContact CG-CE2 4.49Å; P154-Y201 WeakPolarHBondContact CG-OH 3.33Å; T198-Y201 HydrophobicContact CG2-CD2 3.98Å; T198-Y201 PolarHBondContact O-N 3.45Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 2.66Å; Y201-S220 WeakPolarHBondContact O-CA 3.31Å; Y201-S220 VanDerWaalsContact O-CB 3.27Å; Y201-S220 WeakPolarHBondContact O-CB 3.36Å; Y201-S220 PolarHBondContact O-OG 3.19Å; Y201-S220 VanDerWaalsContact O-OG 3.09Å; Y201-F223 HydrophobicContact CD1-CB 4.24Å; Y201-F223 WeakPolarHBondContact O-CD2 3.43Å; Y201-M224 HydrophobicContact CD1-CB 4.38Å; Y201-R227 HydrophobicContact CE1-CB 4.03Å; Y201-R227 HydrophobicContact CE1-CG 4.27Å
202A98Very high94.5Very high4 Ų441 Ų413%0.03320%0.197CC..SBendtrans-62.8146.3-178.700000112.7F195 T198 A206 L207 K257F195-A202 HydrophobicContact CE2-CB 3.54Å; F195-A202 HydrophobicContact CZ-CB 3.84Å; T198-A202 WeakPolarHBondContact O-CB 3.11Å; T198-A202 PolarHBondContact O-N 2.93Å; A202-A206 HydrophobicContact CB-CB 4.46Å; A202-L207 HydrophobicContact CB-CD1 4.49Å; A202-L207 HydrophobicContact CB-CD2 4.17Å; A202-L207 HydrophobicContact CB-CG 4.04Å; A202-L207 WeakPolarHBondContact O-CD1 3.4Å; A202-K257 PolarHBondContact O-NZ 3.38Å
203S98.2Very high94.9Very high0 Ų030.8 Ų30.80%016%0.159CC..  trans-60.9160.4174.366.20000112.4S205 A206 L207 D216S203-S205 PolarHBondContact OG-OG 3.21Å; S203-A206 PolarHBondContact O-N 3.41Å; S203-A206 VanDerWaalsContact OG-CB 3.25Å; S203-A206 WeakPolarHBondContact OG-CB 3.49Å; S203-A206 PolarHBondContact OG-N 2.91Å; S203-A206 VanDerWaalsContact OG-N 3.16Å; S203-L207 WeakPolarHBondContact O-CB 3.43Å; S203-L207 WeakPolarHBondContact O-CD1 3.49Å; S203-L207 VanDerWaalsContact O-CG 3.24Å; S203-L207 WeakPolarHBondContact O-CG 3.18Å; S203-L207 PolarHBondContact O-N 3.25Å; S203-L207 VanDerWaalsContact O-N 3.08Å; S203-D216 WeakPolarHBondContact CB-OD1 3.38Å; S203-D216 PolarHBondContact OG-OD1 3.06Å
204V98Very high95.3Very high21 Ų2130.6 Ų30.613%0.12716%0.157CC..Hα-helixtrans-60-47.4175.4178.40000110.9A206 L207 M208 K257 Q258 I261V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.24Å; V204-L207 WeakPolarHBondContact O-CB 3.41Å; V204-L207 PolarHBondContact O-N 3.37Å; V204-L207 VanDerWaalsContact O-N 3.12Å; V204-M208 HydrophobicContact CG1-CG 3.99Å; V204-M208 WeakPolarHBondContact O-CB 3.49Å; V204-M208 VanDerWaalsContact O-CG 3.22Å; V204-M208 WeakPolarHBondContact O-CG 3.22Å; V204-M208 PolarHBondContact O-N 2.85Å; V204-K257 HydrophobicContact CG2-CB 3.71Å; V204-Q258 HydrophobicContact CG1-CB 4.42Å; V204-I261 HydrophobicContact CG2-CD1 3.79Å
205S97.3Very high95.7Very high14 Ų1425.3 Ų25.310%0.09813%0.128CC..Hα-helixtrans-56.9-44.4178.730.10000112.6S203 L207 M208 G209 E210 K215 D216S203-S205 PolarHBondContact OG-OG 3.21Å; S205-L207 PolarHBondContact O-N 3.03Å; S205-M208 PolarHBondContact O-N 3.49Å; S205-G209 PolarHBondContact O-N 2.83Å; S205-E210 WeakPolarHBondContact CB-OE2 3.2Å; S205-E210 WeakPolarHBondContact O-CB 3.48Å; S205-E210 PolarHBondContact O-N 3.47Å; S205-K215 PolarHBondContact OG-NZ 3.39Å; S205-D216 PolarHBondContact OG-OD1 2.83Å
206A97.2Very high96.1Very high2 Ų223.5 Ų23.52%0.01712%0.12CC..Hα-helixtrans-61.9-44.9175.800000111.9F195 A202 S203 V204 M208 G209 Q212F195-A206 WeakPolarHBondContact CD2-O 3.31Å; F195-A206 HydrophobicContact CE2-CB 4.48Å; A202-A206 HydrophobicContact CB-CB 4.46Å; S203-A206 PolarHBondContact O-N 3.41Å; S203-A206 VanDerWaalsContact OG-CB 3.25Å; S203-A206 WeakPolarHBondContact OG-CB 3.49Å; S203-A206 PolarHBondContact OG-N 2.91Å; S203-A206 VanDerWaalsContact OG-N 3.16Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.24Å; A206-M208 PolarHBondContact O-N 2.62Å; A206-G209 PolarHBondContact O-N 2.86Å; A206-Q212 HydrophobicContact CB-CG 3.77Å
207L97.5Very high96.7Very high7 Ų717.8 Ų17.84%0.03710%0.099CC..Hα-helixtrans-64-27.6178.2-71166.9000112.9F195 L199 A202 S203 V204 S205 A250 K257F195-L207 HydrophobicContact CD2-CD2 4.28Å; F195-L207 HydrophobicContact CE2-CD2 3.64Å; F195-L207 HydrophobicContact CE2-CG 4.21Å; F195-L207 HydrophobicContact CZ-CD2 3.9Å; L199-L207 HydrophobicContact CD2-CD2 3.71Å; A202-L207 HydrophobicContact CB-CD1 4.49Å; A202-L207 HydrophobicContact CB-CD2 4.17Å; A202-L207 HydrophobicContact CB-CG 4.04Å; A202-L207 WeakPolarHBondContact O-CD1 3.4Å; S203-L207 WeakPolarHBondContact O-CB 3.43Å; S203-L207 WeakPolarHBondContact O-CD1 3.49Å; S203-L207 VanDerWaalsContact O-CG 3.24Å; S203-L207 WeakPolarHBondContact O-CG 3.18Å; S203-L207 PolarHBondContact O-N 3.25Å; S203-L207 VanDerWaalsContact O-N 3.08Å; V204-L207 WeakPolarHBondContact O-CB 3.41Å; V204-L207 PolarHBondContact O-N 3.37Å; V204-L207 VanDerWaalsContact O-N 3.12Å; S205-L207 PolarHBondContact O-N 3.03Å; L207-A250 WeakPolarHBondContact CB-O 3.3Å; L207-A250 HydrophobicContact CD2-CB 3.96Å; L207-K257 HydrophobicContact CD1-CD 3.78Å
208M96.3Very high97.2Very high84 Ų8417.3 Ų17.341%0.4149%0.093SC..THydrogen-bonded Turntrans-901.1178.5-63.2-58.3-7200113.7V204 S205 A206 R251V204-M208 HydrophobicContact CG1-CG 3.99Å; V204-M208 WeakPolarHBondContact O-CB 3.49Å; V204-M208 VanDerWaalsContact O-CG 3.22Å; V204-M208 WeakPolarHBondContact O-CG 3.22Å; V204-M208 PolarHBondContact O-N 2.85Å; S205-M208 PolarHBondContact O-N 3.49Å; A206-M208 PolarHBondContact O-N 2.62Å; M208-R251 HydrophobicContact SD-CG 4.25Å
209G95.1Very high97.4Very high19 Ų1916.7 Ų16.720%0.1969%0.087CC..THydrogen-bonded Turntrans84.915.2174.900000114.7A193 S205 A206A193-G209 PolarHBondContact N-O 3.3Å; A193-G209 WeakPolarHBondContact O-CA 3.43Å; S205-G209 PolarHBondContact O-N 2.83Å; A206-G209 PolarHBondContact O-N 2.86Å
210E96.5Very high97.6Very high107 Ų10716.7 Ų16.750%0.59%0.087SC..PPolyproline II helixtrans-75.3154.8169.7-61.4173.5-149.300110.7S205 Q212S205-E210 WeakPolarHBondContact CB-OE2 3.2Å; S205-E210 WeakPolarHBondContact O-CB 3.48Å; S205-E210 PolarHBondContact O-N 3.47Å; E210-Q212 PolarHBondContact O-N 3.19Å
211D96.6Very high97.8Very high3 Ų315.1 Ų15.12%0.0168%0.081CC..PPolyproline II helixtrans-69.4134.6175.2-154.93000110.8R177 P189 R190 A193 Y287R177-D211 IonicContact CZ-OD1 2.7Å; R177-D211 IonicContact CZ-OD2 3.42Å; R177-D211 VanDerWaalsContact NH1-CG 3.28Å; R177-D211 IonicContact NH1-OD1 3.27Å; R177-D211 PolarHBondContact NH1-OD1 3.04Å; R177-D211 IonicContact NH1-OD2 2.83Å; R177-D211 PolarHBondContact NH1-OD2 3.07Å; R177-D211 IonicContact NH2-OD2 3.07Å; P189-D211 HydrophobicContact CB-CB 4.12Å; R190-D211 HydrophobicContact CB-CB 4.31Å; R190-D211 WeakPolarHBondContact CG-OD2 3.41Å; R190-D211 IonicContact CZ-OD1 2.84Å; R190-D211 IonicContact CZ-OD2 3.19Å; R190-D211 PolarHBondContact N-OD2 3.36Å; R190-D211 VanDerWaalsContact NE-CG 3.3Å; R190-D211 IonicContact NE-OD1 3.06Å; R190-D211 PolarHBondContact NE-OD1 3.04Å; R190-D211 IonicContact NE-OD2 2.91Å; R190-D211 PolarHBondContact NE-OD2 2.98Å; R190-D211 IonicContact NH2-OD1 2.9Å; R190-D211 PolarHBondContact NH2-OD1 3.13Å; R190-D211 IonicContact NH2-OD2 3.37Å; A193-D211 HydrophobicContact CB-CB 4.35Å; D211-Y287 HydrophobicContact CB-CE2 3.96Å; D211-Y287 WeakPolarHBondContact O-CD2 3.27Å; D211-Y287 WeakPolarHBondContact O-CE2 3.45Å
212Q97.9Very high97.8Very high8 Ų815 Ų154%0.0378%0.08CC..PPolyproline II helixtrans-75.8143.6-178.5-70.3173.1-89.300110.7L148 R150 A206 E210 D216L148-Q212 HydrophobicContact CD1-CB 4.28Å; L148-Q212 WeakPolarHBondContact CD1-O 3.43Å; R150-Q212 HydrophobicContact CG-CB 4.45Å; A206-Q212 HydrophobicContact CB-CG 3.77Å; E210-Q212 PolarHBondContact O-N 3.19Å; Q212-D216 HydrophobicContact CB-CB 4.17Å; Q212-D216 HydrophobicContact CG-CB 4.16Å
213A97.9Very high97.9Very high1 Ų114.8 Ų14.81%0.0088%0.078CC..  trans-132.8177.1175.400000109.9K215 D216 Y287A213-K215 HydrophobicContact CB-CG 4.31Å; A213-K215 PolarHBondContact O-N 2.75Å; A213-K215 VanDerWaalsContact O-N 3.11Å; A213-D216 PolarHBondContact N-OD2 3.49Å; A213-D216 VanDerWaalsContact O-CB 3.32Å; A213-D216 WeakPolarHBondContact O-CB 3.44Å; A213-D216 PolarHBondContact O-N 2.74Å; A213-Y287 HydrophobicContact CB-CD2 3.68Å; A213-Y287 HydrophobicContact CB-CE2 3.84Å; A213-Y287 HydrophobicContact CB-CG 4.2Å; A213-Y287 VanDerWaalsContact CB-O 3.24Å; A213-Y287 WeakPolarHBondContact CB-O 3.41Å
214P98.6Very high97.9Very high3 Ų314.8 Ų14.82%0.0198%0.079CC..Hα-helixtrans-52.9-35.6-179.9-31.439.5000113.9L148 Y179 D216 D217 I218 P291L148-P214 HydrophobicContact CD2-CB 4.36Å; L148-P214 HydrophobicContact CD2-CG 3.78Å; Y179-P214 HydrophobicContact CD2-CG 4.3Å; Y179-P214 HydrophobicContact CE1-CG 4.12Å; Y179-P214 HydrophobicContact CE2-CG 3.71Å; P214-D216 PolarHBondContact O-N 3.34Å; P214-D216 VanDerWaalsContact O-N 3.12Å; P214-D217 PolarHBondContact O-N 2.84Å; P214-I218 WeakPolarHBondContact O-CG1 3.36Å; P214-I218 PolarHBondContact O-N 3.43Å; P214-P291 HydrophobicContact CB-CG 3.88Å
215K98.4Very high97.9Very high13 Ų1313.8 Ų13.86%0.0577%0.073CC..Hα-helixtrans-53.8-32.4174.967.2163.4175.661.30113.5S205 A213 I218 W219 L285 T286S205-K215 PolarHBondContact OG-NZ 3.39Å; A213-K215 HydrophobicContact CB-CG 4.31Å; A213-K215 PolarHBondContact O-N 2.75Å; A213-K215 VanDerWaalsContact O-N 3.11Å; K215-I218 PolarHBondContact O-N 3.21Å; K215-W219 PolarHBondContact O-N 3.11Å; K215-L285 HydrophobicContact CB-CB 3.94Å; K215-L285 HydrophobicContact CB-CD1 3.83Å; K215-L285 HydrophobicContact CD-CB 4.25Å; K215-T286 WeakPolarHBondContact CD-O 3.38Å
216D98.6Very high98Very high0 Ų013.2 Ų13.20%07%0.068CC..Hα-helixtrans-74.6-36.2-175.7-64.5-83.8000111.7S203 S205 Q212 A213 P214 I218 S220S203-D216 WeakPolarHBondContact CB-OD1 3.38Å; S203-D216 PolarHBondContact OG-OD1 3.06Å; S205-D216 PolarHBondContact OG-OD1 2.83Å; Q212-D216 HydrophobicContact CB-CB 4.17Å; Q212-D216 HydrophobicContact CG-CB 4.16Å; A213-D216 PolarHBondContact N-OD2 3.49Å; A213-D216 VanDerWaalsContact O-CB 3.32Å; A213-D216 WeakPolarHBondContact O-CB 3.44Å; A213-D216 PolarHBondContact O-N 2.74Å; P214-D216 PolarHBondContact O-N 3.34Å; P214-D216 VanDerWaalsContact O-N 3.12Å; D216-I218 VanDerWaalsContact C-N 3.34Å; D216-S220 WeakPolarHBondContact O-CB 3.44Å; D216-S220 PolarHBondContact O-N 2.84Å; D216-S220 VanDerWaalsContact O-N 3.1Å; D216-S220 PolarHBondContact O-OG 3.42Å
217D98.8Very high98Very high1 Ų114.5 Ų14.51%0.0057%0.073CC..Hα-helixtrans-67.2-37.7171.5-78.4-22.2000110.5L139 H143 L148 H149 R150 V152 P214 S220 W221L139-D217 HydrophobicContact CD1-CB 4.43Å; L139-D217 HydrophobicContact CD2-CB 4.2Å; H143-D217 IonicContact NE2-OD2 3.28Å; H143-D217 PolarHBondContact NE2-OD2 2.83Å; H143-D217 VanDerWaalsContact NE2-OD2 3.15Å; L148-D217 WeakPolarHBondContact CA-OD2 3.32Å; H149-D217 PolarHBondContact N-OD2 3.19Å; R150-D217 WeakPolarHBondContact CA-OD1 3.42Å; R150-D217 PolarHBondContact N-OD1 3.08Å; V152-D217 HydrophobicContact CG2-CB 4.25Å; P214-D217 PolarHBondContact O-N 2.84Å; D217-S220 PolarHBondContact O-N 3.44Å; D217-W221 WeakPolarHBondContact O-CB 3.42Å; D217-W221 PolarHBondContact O-N 3.15Å
218I98.8Very high98Very high1 Ų114.2 Ų14.21%0.0057%0.071CC..Hα-helixtrans-73.9-35178.8-47.8-46.1000112.3L136 L139 P214 K215 D216 S220 W221 F222 L282 P291 Y293L136-I218 HydrophobicContact CD1-CD1 3.74Å; L136-I218 HydrophobicContact CD1-CG2 4.39Å; L139-I218 HydrophobicContact CB-CD1 4.22Å; L139-I218 HydrophobicContact CD1-CD1 4.13Å; P214-I218 WeakPolarHBondContact O-CG1 3.36Å; P214-I218 PolarHBondContact O-N 3.43Å; K215-I218 PolarHBondContact O-N 3.21Å; D216-I218 VanDerWaalsContact C-N 3.34Å; I218-S220 VanDerWaalsContact C-N 3.29Å; I218-S220 PolarHBondContact O-N 2.87Å; I218-W221 HydrophobicContact CG2-CE3 3.87Å; I218-W221 HydrophobicContact CG2-CZ3 4.42Å; I218-W221 PolarHBondContact O-N 3.19Å; I218-F222 WeakPolarHBondContact O-CB 3.14Å; I218-F222 PolarHBondContact O-N 3.5Å; I218-L282 HydrophobicContact CB-CD2 4Å; I218-L282 HydrophobicContact CG2-CD2 3.55Å; I218-P291 HydrophobicContact CG1-CB 3.81Å; I218-P291 HydrophobicContact CG1-CG 3.71Å; I218-Y293 HydrophobicContact CD1-CD1 4.42Å; I218-Y293 HydrophobicContact CD1-CE1 3.69Å; I218-Y293 HydrophobicContact CG1-CE1 4.28Å
219W98.7Very high98.1Very high22 Ų2210.2 Ų10.28%0.0835%0.051CC..Hα-helixtrans-57.7-45.6167.8-88.3115.6000111.6K215 F222 F223 I261 L279 L282 K283K215-W219 PolarHBondContact O-N 3.11Å; W219-F222 HydrophobicContact CZ3-CD1 4.37Å; W219-F222 PolarHBondContact O-N 2.9Å; W219-F223 HydrophobicContact CB-CZ 4.44Å; W219-F223 HydrophobicContact CD2-CZ 4.31Å; W219-F223 AromaticContact CE3-CE1 3.51Å; W219-F223 HydrophobicContact CE3-CE1 3.51Å; W219-F223 AromaticContact CE3-CZ 3.55Å; W219-F223 HydrophobicContact CE3-CZ 3.55Å; W219-F223 AromaticContact CZ3-CE1 3.88Å; W219-F223 HydrophobicContact CZ3-CE1 3.88Å; W219-F223 HydrophobicContact CZ3-CZ 4.16Å; W219-F223 WeakPolarHBondContact O-CD1 3.43Å; W219-F223 WeakPolarHBondContact O-CD2 3.49Å; W219-F223 VanDerWaalsContact O-CG 3.26Å; W219-F223 WeakPolarHBondContact O-CG 3.42Å; W219-F223 PolarHBondContact O-N 2.84Å; W219-I261 HydrophobicContact CH2-CD1 4.21Å; W219-I261 HydrophobicContact CH2-CG1 4.43Å; W219-I261 HydrophobicContact CH2-CG2 4Å; W219-I261 HydrophobicContact CZ3-CD1 4.08Å; W219-I261 HydrophobicContact CZ3-CG1 4.35Å; W219-L279 HydrophobicContact CH2-CD1 3.76Å; W219-L279 HydrophobicContact CZ3-CD1 3.92Å; W219-L282 HydrophobicContact CD2-CB 3.97Å; W219-L282 HydrophobicContact CD2-CD1 4.08Å; W219-L282 HydrophobicContact CE3-CB 4.18Å; W219-L282 HydrophobicContact CE3-CD1 3.84Å; W219-L282 HydrophobicContact CH2-CB 3.72Å; W219-L282 HydrophobicContact CZ2-CB 3.46Å; W219-L282 VanDerWaalsContact CZ2-CB 3.46Å; W219-L282 WeakPolarHBondContact CZ2-O 3.37Å; W219-L282 HydrophobicContact CZ3-CB 4.06Å; W219-L282 HydrophobicContact CZ3-CD1 4.12Å; W219-L282 PolarHBondContact NE1-O 2.9Å; W219-K283 HydrophobicContact CH2-CG 3.92Å; W219-K283 HydrophobicContact CZ2-CG 4.1Å
220S98.8Very high98.2Very high4 Ų410.7 Ų10.73%0.0285%0.049CC..Hα-helixtrans-66.1-39.5179.2-53.20000111.8Y201 D216 D217 I218 F223 M224Y201-S220 WeakPolarHBondContact O-CA 3.31Å; Y201-S220 VanDerWaalsContact O-CB 3.27Å; Y201-S220 WeakPolarHBondContact O-CB 3.36Å; Y201-S220 PolarHBondContact O-OG 3.19Å; Y201-S220 VanDerWaalsContact O-OG 3.09Å; D216-S220 WeakPolarHBondContact O-CB 3.44Å; D216-S220 PolarHBondContact O-N 2.84Å; D216-S220 VanDerWaalsContact O-N 3.1Å; D216-S220 PolarHBondContact O-OG 3.42Å; D217-S220 PolarHBondContact O-N 3.44Å; I218-S220 VanDerWaalsContact C-N 3.29Å; I218-S220 PolarHBondContact O-N 2.87Å; S220-F223 PolarHBondContact O-N 3.36Å; S220-M224 WeakPolarHBondContact O-CB 3.43Å; S220-M224 PolarHBondContact O-N 3.4Å
221W98.9Very high98.2Very high0 Ų05.6 Ų5.60%03%0.026CC..Hα-helixtrans-60.3-43.5171.516884.3000111.8G132 S135 L136 L139 V152 D217 I218 F223 M224 L225 I278 C296 M300G132-W221 PolarHBondContact O-NE1 3.12Å; S135-W221 PolarHBondContact OG-NE1 3.1Å; S135-W221 VanDerWaalsContact OG-NE1 3.17Å; L136-W221 HydrophobicContact CB-CD2 4.41Å; L136-W221 HydrophobicContact CB-CZ2 3.96Å; L136-W221 HydrophobicContact CD1-CD2 4.02Å; L136-W221 HydrophobicContact CD1-CE3 4.26Å; L136-W221 HydrophobicContact CD1-CG 4.35Å; L136-W221 HydrophobicContact CD2-CH2 3.92Å; L136-W221 HydrophobicContact CD2-CZ2 3.85Å; L136-W221 HydrophobicContact CD2-CZ3 4.38Å; L136-W221 HydrophobicContact CG-CZ2 4.34Å; L139-W221 HydrophobicContact CD1-CB 3.78Å; L139-W221 HydrophobicContact CD1-CG 4.31Å; V152-W221 HydrophobicContact CG1-CB 4.16Å; D217-W221 WeakPolarHBondContact O-CB 3.42Å; D217-W221 PolarHBondContact O-N 3.15Å; I218-W221 HydrophobicContact CG2-CE3 3.87Å; I218-W221 HydrophobicContact CG2-CZ3 4.42Å; I218-W221 PolarHBondContact O-N 3.19Å; W221-F223 PolarHBondContact O-N 3.02Å; W221-M224 CarbonylContact O-C 3.44Å; W221-M224 WeakPolarHBondContact O-CB 3.22Å; W221-M224 PolarHBondContact O-N 2.93Å; W221-L225 HydrophobicContact CH2-CD2 3.79Å; W221-L225 HydrophobicContact CZ2-CD2 3.9Å; W221-L225 HydrophobicContact CZ3-CD2 4.42Å; W221-L225 WeakPolarHBondContact O-CB 3.48Å; W221-L225 PolarHBondContact O-N 3.18Å; W221-I278 HydrophobicContact CH2-CD1 4.4Å; W221-I278 HydrophobicContact CZ3-CG2 4.2Å; W221-C296 HydrophobicContact CH2-CB 3.97Å; W221-C296 HydrophobicContact CZ3-CB 4.25Å; W221-M300 HydrophobicContact CH2-CE 4.26Å; W221-M300 HydrophobicContact CH2-SD 4.36Å; W221-M300 HydrophobicContact CZ2-CE 3.96Å; W221-M300 HydrophobicContact CZ2-SD 3.91Å
222F98.8Very high98.1Very high0 Ų09 Ų90%04%0.039CC..Hα-helixtrans-67.3-38.4-179.9-173.3-134.5000111.9I218 W219 M224 L225 L226 F267 L268 Y275 I278 L279 L282I218-F222 WeakPolarHBondContact O-CB 3.14Å; I218-F222 PolarHBondContact O-N 3.5Å; W219-F222 HydrophobicContact CZ3-CD1 4.37Å; W219-F222 PolarHBondContact O-N 2.9Å; F222-M224 VanDerWaalsContact C-N 3.32Å; F222-M224 PolarHBondContact O-N 3.47Å; F222-L225 HydrophobicContact CD2-CD2 4.29Å; F222-L225 WeakPolarHBondContact O-CB 3.37Å; F222-L225 PolarHBondContact O-N 3.1Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.33Å; F222-F267 HydrophobicContact CD1-CE1 4.33Å; F222-F267 HydrophobicContact CD1-CZ 4.3Å; F222-F267 AromaticContact CE1-CE1 3.59Å; F222-F267 HydrophobicContact CE1-CE1 3.59Å; F222-F267 HydrophobicContact CE1-CZ 4.01Å; F222-F267 HydrophobicContact CZ-CE1 4.25Å; F222-L268 HydrophobicContact CZ-CD2 4.32Å; F222-Y275 HydrophobicContact CE2-CD2 4Å; F222-Y275 AromaticContact CE2-CG 3.98Å; F222-Y275 HydrophobicContact CE2-CG 3.98Å; F222-Y275 HydrophobicContact CZ-CD2 4.43Å; F222-Y275 HydrophobicContact CZ-CG 4.4Å; F222-I278 HydrophobicContact CD1-CG2 4.45Å; F222-I278 HydrophobicContact CD2-CG2 3.74Å; F222-I278 HydrophobicContact CE1-CG2 4.48Å; F222-I278 HydrophobicContact CE2-CB 4.13Å; F222-I278 HydrophobicContact CE2-CD1 4.47Å; F222-I278 HydrophobicContact CE2-CG2 3.8Å; F222-I278 HydrophobicContact CG-CG2 4.09Å; F222-I278 HydrophobicContact CZ-CB 4.33Å; F222-I278 HydrophobicContact CZ-CG2 4.18Å; F222-L279 HydrophobicContact CE1-CB 4.04Å; F222-L279 HydrophobicContact CE1-CD1 4.24Å; F222-L279 HydrophobicContact CZ-CB 4.37Å; F222-L282 HydrophobicContact CB-CD1 3.67Å; F222-L282 HydrophobicContact CD1-CD1 3.73Å; F222-L282 HydrophobicContact CG-CD1 3.89Å
223F98.7Very high98Very high0 Ų08.8 Ų8.80%04%0.038CC..Hα-helixtrans-66.1-36.7172.7-56-21.8000112.2Y201 W219 S220 W221 L226 R227 V233 W235 K257 I261 F267Y201-F223 HydrophobicContact CD1-CB 4.24Å; Y201-F223 WeakPolarHBondContact O-CD2 3.43Å; W219-F223 HydrophobicContact CB-CZ 4.44Å; W219-F223 HydrophobicContact CD2-CZ 4.31Å; W219-F223 AromaticContact CE3-CE1 3.51Å; W219-F223 HydrophobicContact CE3-CE1 3.51Å; W219-F223 AromaticContact CE3-CZ 3.55Å; W219-F223 HydrophobicContact CE3-CZ 3.55Å; W219-F223 AromaticContact CZ3-CE1 3.88Å; W219-F223 HydrophobicContact CZ3-CE1 3.88Å; W219-F223 HydrophobicContact CZ3-CZ 4.16Å; W219-F223 WeakPolarHBondContact O-CD1 3.43Å; W219-F223 WeakPolarHBondContact O-CD2 3.49Å; W219-F223 VanDerWaalsContact O-CG 3.26Å; W219-F223 WeakPolarHBondContact O-CG 3.42Å; W219-F223 PolarHBondContact O-N 2.84Å; S220-F223 PolarHBondContact O-N 3.36Å; W221-F223 PolarHBondContact O-N 3.02Å; F223-L226 HydrophobicContact CD1-CD1 4.46Å; F223-R227 WeakPolarHBondContact O-CB 3.48Å; F223-R227 PolarHBondContact O-N 3.4Å; F223-V233 WeakPolarHBondContact O-CG1 3.19Å; F223-W235 HydrophobicContact CB-CZ2 4.3Å; F223-W235 AromaticContact CD1-CH2 3.62Å; F223-W235 HydrophobicContact CD1-CH2 3.62Å; F223-W235 HydrophobicContact CD1-CZ2 4.11Å; F223-W235 AromaticContact CD2-CH2 3.96Å; F223-W235 HydrophobicContact CD2-CH2 3.96Å; F223-W235 AromaticContact CD2-CZ2 3.78Å; F223-W235 HydrophobicContact CD2-CZ2 3.78Å; F223-W235 AromaticContact CE1-CH2 3.64Å; F223-W235 HydrophobicContact CE1-CH2 3.64Å; F223-W235 HydrophobicContact CE1-CZ2 4.42Å; F223-W235 HydrophobicContact CE2-CH2 4.01Å; F223-W235 HydrophobicContact CE2-CZ2 4.13Å; F223-W235 AromaticContact CG-CH2 3.81Å; F223-W235 HydrophobicContact CG-CH2 3.81Å; F223-W235 AromaticContact CG-CZ2 3.8Å; F223-W235 HydrophobicContact CG-CZ2 3.8Å; F223-W235 AromaticContact CZ-CH2 3.85Å; F223-W235 HydrophobicContact CZ-CH2 3.85Å; F223-W235 HydrophobicContact CZ-CZ2 4.44Å; F223-K257 HydrophobicContact CE2-CD 4.05Å; F223-I261 HydrophobicContact CE1-CD1 4.48Å; F223-I261 HydrophobicContact CZ-CD1 4.08Å; F223-F267 HydrophobicContact CD1-CZ 4.17Å; F223-F267 HydrophobicContact CE1-CE2 4.05Å; F223-F267 AromaticContact CE1-CZ 3.89Å; F223-F267 HydrophobicContact CE1-CZ 3.89Å
224M98.5Very high97.9Very high1 Ų110.1 Ų10.11%0.0055%0.046CC..Hα-helixtrans-63-42.9170.8179.4176.871.700111F105 V152 P154 Y157 Y201 S220 W221 F222 R227 I228F105-M224 HydrophobicContact CD2-SD 4.32Å; F105-M224 HydrophobicContact CE2-CE 4.48Å; V152-M224 HydrophobicContact CG1-CE 4.16Å; V152-M224 HydrophobicContact CG1-SD 4.42Å; P154-M224 HydrophobicContact CG-CG 3.95Å; P154-M224 HydrophobicContact CG-SD 4.44Å; Y157-M224 HydrophobicContact CD2-CE 3.9Å; Y157-M224 HydrophobicContact CD2-SD 3.74Å; Y157-M224 HydrophobicContact CE2-CE 3.69Å; Y157-M224 HydrophobicContact CE2-SD 3.93Å; Y201-M224 HydrophobicContact CD1-CB 4.38Å; S220-M224 WeakPolarHBondContact O-CB 3.43Å; S220-M224 PolarHBondContact O-N 3.4Å; W221-M224 CarbonylContact O-C 3.44Å; W221-M224 WeakPolarHBondContact O-CB 3.22Å; W221-M224 PolarHBondContact O-N 2.93Å; F222-M224 VanDerWaalsContact C-N 3.32Å; F222-M224 PolarHBondContact O-N 3.47Å; M224-R227 WeakPolarHBondContact O-CB 3.45Å; M224-R227 PolarHBondContact O-N 3.02Å; M224-R227 VanDerWaalsContact O-N 3.12Å; M224-I228 HydrophobicContact CG-CG2 4.27Å; M224-I228 WeakPolarHBondContact O-CG1 3.44Å; M224-I228 WeakPolarHBondContact O-CG2 3.49Å; M224-I228 PolarHBondContact O-N 2.77Å
225L98.7Very high97.8Very high0 Ų010 Ų100%05%0.045CC..Hα-helixtrans-59-48.9177.5-177.360.1000111.2M129 W221 F222 R227 I228 S229 Y275M129-L225 HydrophobicContact CE-CD1 4.06Å; W221-L225 HydrophobicContact CH2-CD2 3.79Å; W221-L225 HydrophobicContact CZ2-CD2 3.9Å; W221-L225 HydrophobicContact CZ3-CD2 4.42Å; W221-L225 WeakPolarHBondContact O-CB 3.48Å; W221-L225 PolarHBondContact O-N 3.18Å; F222-L225 HydrophobicContact CD2-CD2 4.29Å; F222-L225 WeakPolarHBondContact O-CB 3.37Å; F222-L225 PolarHBondContact O-N 3.1Å; L225-R227 VanDerWaalsContact C-N 3.29Å; L225-R227 PolarHBondContact O-N 3.34Å; L225-I228 HydrophobicContact CD1-CD1 4.19Å; L225-I228 HydrophobicContact CD1-CG1 4.28Å; L225-I228 VanDerWaalsContact O-CG1 3.3Å; L225-I228 WeakPolarHBondContact O-CG1 3.24Å; L225-I228 PolarHBondContact O-N 3.1Å; L225-S229 WeakPolarHBondContact O-CB 3.35Å; L225-S229 PolarHBondContact O-N 3.1Å; L225-S229 PolarHBondContact O-OG 3.33Å; L225-Y275 HydrophobicContact CD2-CE1 3.83Å; L225-Y275 HydrophobicContact CD2-CE2 4.41Å; L225-Y275 HydrophobicContact CG-CE1 4.34Å; L225-Y275 HydrophobicContact CG-CE2 4.26Å; L225-Y275 WeakPolarHBondContact CG-OH 3.46Å
226L98.3Very high97.6Very high2 Ų213.2 Ų13.21%0.016%0.057CC..Hα-helixtrans-54.7-47172.5-66.5172.9000111.2F222 F223 I228 S229 L230 R232 V233 F267 C271 Y275F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.33Å; F223-L226 HydrophobicContact CD1-CD1 4.46Å; L226-I228 PolarHBondContact O-N 2.83Å; L226-S229 PolarHBondContact O-N 2.74Å; L226-L230 HydrophobicContact CD2-CD1 3.88Å; L226-L230 VanDerWaalsContact O-CB 3.29Å; L226-L230 WeakPolarHBondContact O-CB 3.22Å; L226-L230 PolarHBondContact O-N 3.41Å; L226-R232 CarbonylContact C-O 3.52Å; L226-V233 HydrophobicContact CB-CG1 4.42Å; L226-F267 HydrophobicContact CD1-CE1 3.72Å; L226-F267 HydrophobicContact CD1-CE2 4.49Å; L226-F267 HydrophobicContact CD1-CZ 3.6Å; L226-C271 VanDerWaalsContact CD2-SG 3.54Å; L226-Y275 HydrophobicContact CD2-CD2 3.66Å; L226-Y275 HydrophobicContact CD2-CE2 3.86Å
227R97.9Very high97.3Very high29 Ų2918.6 Ų18.611%0.1099%0.086CC..Hα-helixtrans-61.4-44.9-179.8178.361.4-171.478.2-11111.9T121 Y201 F223 M224 L225 G231 V233T121-R227 PolarHBondContact O-NH1 2.53Å; T121-R227 PolarHBondContact OG1-NH2 3.36Å; Y201-R227 HydrophobicContact CE1-CB 4.03Å; Y201-R227 HydrophobicContact CE1-CG 4.27Å; F223-R227 WeakPolarHBondContact O-CB 3.48Å; F223-R227 PolarHBondContact O-N 3.4Å; M224-R227 WeakPolarHBondContact O-CB 3.45Å; M224-R227 PolarHBondContact O-N 3.02Å; M224-R227 VanDerWaalsContact O-N 3.12Å; L225-R227 VanDerWaalsContact C-N 3.29Å; L225-R227 PolarHBondContact O-N 3.34Å; R227-G231 PolarHBondContact NH1-O 2.53Å; R227-G231 WeakPolarHBondContact O-CA 3.25Å; R227-G231 PolarHBondContact O-N 3Å; R227-V233 HydrophobicContact CB-CG1 4.05Å
228I98.2Very high97.1Very high0 Ų022 Ų220%010%0.102CC..Hα-helixtrans-77.2-29-175.367.9174.7000112.3L109 F123 A128 L131 P154 M224 L225 L226L109-I228 HydrophobicContact CD1-CG2 4.19Å; F123-I228 HydrophobicContact CD2-CB 3.81Å; F123-I228 HydrophobicContact CD2-CG2 4.38Å; F123-I228 HydrophobicContact CE2-CB 4.06Å; F123-I228 HydrophobicContact CE2-CG2 4.13Å; F123-I228 PolarHBondContact N-O 3.28Å; A128-I228 HydrophobicContact CB-CG1 4.42Å; L131-I228 HydrophobicContact CB-CD1 3.89Å; P154-I228 HydrophobicContact CG-CG2 4.44Å; M224-I228 HydrophobicContact CG-CG2 4.27Å; M224-I228 WeakPolarHBondContact O-CG1 3.44Å; M224-I228 WeakPolarHBondContact O-CG2 3.49Å; M224-I228 PolarHBondContact O-N 2.77Å; L225-I228 HydrophobicContact CD1-CD1 4.19Å; L225-I228 HydrophobicContact CD1-CG1 4.28Å; L225-I228 VanDerWaalsContact O-CG1 3.3Å; L225-I228 WeakPolarHBondContact O-CG1 3.24Å; L225-I228 PolarHBondContact O-N 3.1Å; L226-I228 PolarHBondContact O-N 2.83Å
229S97.8Very high96.8Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-94.2-29.2-177.468.20000114.6Q125 L225 L226 Y275Q125-S229 PolarHBondContact NE2-O 3.17Å; L225-S229 WeakPolarHBondContact O-CB 3.35Å; L225-S229 PolarHBondContact O-N 3.1Å; L225-S229 PolarHBondContact O-OG 3.33Å; L226-S229 PolarHBondContact O-N 2.74Å; S229-Y275 WeakPolarHBondContact CB-OH 3.47Å; S229-Y275 PolarHBondContact OG-OH 3.02Å
230L96.8Very high96.4Very high29 Ų2926.2 Ų26.215%0.15213%0.13CC..Hα-helixtrans-111.6-13.2-178.1-55.2174.4000113L226 R232 D270 C271L226-L230 HydrophobicContact CD2-CD1 3.88Å; L226-L230 VanDerWaalsContact O-CB 3.29Å; L226-L230 WeakPolarHBondContact O-CB 3.22Å; L226-L230 PolarHBondContact O-N 3.41Å; L230-R232 PolarHBondContact O-N 2.87Å; L230-D270 WeakPolarHBondContact CD2-O 3.47Å; L230-C271 HydrophobicContact CD1-CB 4.38Å; L230-C271 WeakPolarHBondContact CD1-SG 3.17Å
231G96.6Very high96Very high1 Ų129.8 Ų29.81%0.0115%0.153CC..SBendtrans79.91.5-17900000114.6T121 R227T121-G231 WeakPolarHBondContact O-CA 3.3Å; R227-G231 PolarHBondContact NH1-O 2.53Å; R227-G231 WeakPolarHBondContact O-CA 3.25Å; R227-G231 PolarHBondContact O-N 3Å
232R94.4Very high95.6Very high75 Ų7540.9 Ų40.928%0.28320%0.195SC..  trans-150.8160.4-178.863.5-171.3-174.4108.1-2.8111.1L226 L230 D270L226-R232 CarbonylContact C-O 3.52Å; L230-R232 PolarHBondContact O-N 2.87Å; R232-D270 IonicContact CZ-OD2 3.24Å; R232-D270 IonicContact NH2-OD2 3.8Å; R232-D270 PolarHBondContact NH2-OD2 3.02Å
233V95.7Very high95.2Very high2 Ų248.5 Ų48.51%0.01224%0.236CC..  trans-113.2158.4160.3-620000107.7F200 F223 L226 R227 W235 R236F200-V233 HydrophobicContact CD1-CG2 4.09Å; F200-V233 HydrophobicContact CE1-CB 4.47Å; F200-V233 HydrophobicContact CE1-CG1 4.38Å; F200-V233 HydrophobicContact CE1-CG2 3.3Å; F200-V233 HydrophobicContact CE2-CG2 3.84Å; F200-V233 HydrophobicContact CZ-CG2 3.16Å; F223-V233 WeakPolarHBondContact O-CG1 3.19Å; L226-V233 HydrophobicContact CB-CG1 4.42Å; R227-V233 HydrophobicContact CB-CG1 4.05Å; V233-W235 HydrophobicContact CB-CD2 4.45Å; V233-W235 HydrophobicContact CB-CZ2 4.17Å; V233-W235 HydrophobicContact CG2-CD2 4.16Å; V233-W235 HydrophobicContact CG2-CG 4.14Å; V233-W235 HydrophobicContact CG2-CZ2 4.31Å; V233-W235 PolarHBondContact O-N 3Å; V233-W235 VanDerWaalsContact O-N 3.14Å; V233-R236 WeakPolarHBondContact O-CB 3.27Å; V233-R236 PolarHBondContact O-N 2.67Å
234P96.1Very high95Very high30 Ų3050 Ų5020%0.19524%0.244CC..THydrogen-bonded Turntrans-57.2-33.7-173.6-2835.8000114.6R236 F260 F267P234-R236 VanDerWaalsContact C-N 3.33Å; P234-R236 PolarHBondContact O-N 3.32Å; P234-F260 HydrophobicContact CB-CB 4.28Å; P234-F260 HydrophobicContact CB-CD1 3.44Å; P234-F260 VanDerWaalsContact CB-CD1 3.44Å; P234-F260 HydrophobicContact CB-CD2 4.16Å; P234-F260 HydrophobicContact CB-CE1 3.66Å; P234-F260 HydrophobicContact CB-CE2 4.35Å; P234-F260 HydrophobicContact CB-CG 3.72Å; P234-F260 HydrophobicContact CB-CZ 4.12Å; P234-F260 WeakPolarHBondContact O-CZ 3.37Å; P234-F267 HydrophobicContact CG-CD2 4.15Å; P234-F267 HydrophobicContact CG-CE2 4.49Å; P234-F267 HydrophobicContact CG-CG 4.46Å
235W95.9Very high94.8Very high0 Ų053.2 Ų53.20%026%0.264CS..THydrogen-bonded Turntrans-92.325178.353.683.1000113.9F200 F223 V233 D237 E238 V256 K257 F260 F267F200-W235 AromaticContact CD2-CD1 3.86Å; F200-W235 AromaticContact CD2-NE1 3.95Å; F200-W235 AromaticContact CE2-CD1 3.74Å; F200-W235 PolarHBondContact O-NE1 2.97Å; F200-W235 VanDerWaalsContact O-NE1 3.08Å; F223-W235 HydrophobicContact CB-CZ2 4.3Å; F223-W235 AromaticContact CD1-CH2 3.62Å; F223-W235 HydrophobicContact CD1-CH2 3.62Å; F223-W235 HydrophobicContact CD1-CZ2 4.11Å; F223-W235 AromaticContact CD2-CH2 3.96Å; F223-W235 HydrophobicContact CD2-CH2 3.96Å; F223-W235 AromaticContact CD2-CZ2 3.78Å; F223-W235 HydrophobicContact CD2-CZ2 3.78Å; F223-W235 AromaticContact CE1-CH2 3.64Å; F223-W235 HydrophobicContact CE1-CH2 3.64Å; F223-W235 HydrophobicContact CE1-CZ2 4.42Å; F223-W235 HydrophobicContact CE2-CH2 4.01Å; F223-W235 HydrophobicContact CE2-CZ2 4.13Å; F223-W235 AromaticContact CG-CH2 3.81Å; F223-W235 HydrophobicContact CG-CH2 3.81Å; F223-W235 AromaticContact CG-CZ2 3.8Å; F223-W235 HydrophobicContact CG-CZ2 3.8Å; F223-W235 AromaticContact CZ-CH2 3.85Å; F223-W235 HydrophobicContact CZ-CH2 3.85Å; F223-W235 HydrophobicContact CZ-CZ2 4.44Å; V233-W235 HydrophobicContact CB-CD2 4.45Å; V233-W235 HydrophobicContact CB-CZ2 4.17Å; V233-W235 HydrophobicContact CG2-CD2 4.16Å; V233-W235 HydrophobicContact CG2-CG 4.14Å; V233-W235 HydrophobicContact CG2-CZ2 4.31Å; V233-W235 PolarHBondContact O-N 3Å; V233-W235 VanDerWaalsContact O-N 3.14Å; W235-D237 PolarHBondContact O-N 2.87Å; W235-E238 HydrophobicContact CB-CB 4.08Å; W235-E238 HydrophobicContact CB-CG 3.83Å; W235-E238 WeakPolarHBondContact O-CB 3.49Å; W235-E238 PolarHBondContact O-N 3.45Å; W235-V256 HydrophobicContact CB-CG1 3.55Å; W235-V256 HydrophobicContact CG-CG1 4.46Å; W235-K257 HydrophobicContact CD2-CD 4.37Å; W235-K257 HydrophobicContact CD2-CG 3.67Å; W235-K257 VanDerWaalsContact CE2-CE 3.49Å; W235-K257 HydrophobicContact CE3-CB 4.37Å; W235-K257 HydrophobicContact CE3-CG 3.67Å; W235-K257 HydrophobicContact CG-CG 4.38Å; W235-K257 HydrophobicContact CH2-CD 3.95Å; W235-K257 HydrophobicContact CH2-CG 3.81Å; W235-K257 HydrophobicContact CZ2-CD 3.71Å; W235-K257 HydrophobicContact CZ2-CG 3.84Å; W235-K257 HydrophobicContact CZ3-CB 4.22Å; W235-K257 HydrophobicContact CZ3-CD 4.38Å; W235-K257 HydrophobicContact CZ3-CG 3.73Å; W235-F260 HydrophobicContact CB-CD2 4.44Å; W235-F260 HydrophobicContact CB-CE2 4.14Å; W235-F260 HydrophobicContact CE3-CD2 4.11Å; W235-F267 HydrophobicContact CH2-CE2 4.18Å; W235-F267 HydrophobicContact CZ3-CD2 4.38Å; W235-F267 AromaticContact CZ3-CE2 3.86Å; W235-F267 HydrophobicContact CZ3-CE2 3.86Å
236R94.1Very high94.4Very high80 Ų8057.2 Ų57.230%0.30228%0.284SS..THydrogen-bonded Turntrans-54.8-41.6-179.8-178.4-170.169.4-174.4-5.4112.5F200 V233 P234 E238F200-R236 HydrophobicContact CZ-CB 4.39Å; V233-R236 WeakPolarHBondContact O-CB 3.27Å; V233-R236 PolarHBondContact O-N 2.67Å; P234-R236 VanDerWaalsContact C-N 3.33Å; P234-R236 PolarHBondContact O-N 3.32Å; R236-E238 VanDerWaalsContact C-N 3.33Å
237D93.2Very high94.1Very high114 Ų11460.9 Ų60.961%0.6132%0.315SS*.THydrogen-bonded Turntrans-94.46.1-171.9-54.6-33.4000111.9W235W235-D237 PolarHBondContact O-N 2.87Å
238E94.7Very high94Very high73 Ų7367.1 Ų67.134%0.34134%0.338SS..  trans-85112.6178.6-65.3-76.917700110.5W235 R236 F252 Y253 V256W235-E238 HydrophobicContact CB-CB 4.08Å; W235-E238 HydrophobicContact CB-CG 3.83Å; W235-E238 WeakPolarHBondContact O-CB 3.49Å; W235-E238 PolarHBondContact O-N 3.45Å; R236-E238 VanDerWaalsContact C-N 3.33Å; E238-F252 HydrophobicContact CB-CE1 4.35Å; E238-Y253 HydrophobicContact CB-CE1 4.43Å; E238-Y253 PolarHBondContact O-OH 2.72Å; E238-V256 HydrophobicContact CB-CG1 4.17Å; E238-V256 HydrophobicContact CG-CG1 3.69Å
239V91.5Very high93.9Very high94 Ų9468.3 Ų68.357%0.5734%0.344SS*.  trans-116.6114.3-174.6-175.60000109.6A345V239-A345 HydrophobicContact CG2-CB 4.17Å
240P90.7Very high93.8Very high16 Ų1668.4 Ų68.410%0.10434%0.344CS..PPolyproline II helixtrans-65.4151.8171.427.9-33.6000110.1R242 M244 Q249 F252 Y253P240-R242 PolarHBondContact O-N 3.44Å; P240-M244 HydrophobicContact CB-SD 4Å; P240-Q249 HydrophobicContact CB-CG 4.22Å; P240-Q249 HydrophobicContact CG-CG 4.18Å; P240-F252 HydrophobicContact CB-CD1 3.84Å; P240-F252 HydrophobicContact CB-CE1 4.15Å; P240-F252 HydrophobicContact CB-CG 4.19Å; P240-F252 HydrophobicContact CG-CD1 4.43Å; P240-Y253 WeakPolarHBondContact CD-OH 3.44Å; P240-Y253 HydrophobicContact CG-CE2 3.98Å
241P90.6Very high93.8Very high79 Ų7974.8 Ų74.851%0.51337%0.366SS..PPolyproline II helixtrans-46.4141.3172.6-29.733.6000113.1M244P241-M244 HydrophobicContact CB-CE 4.19Å; P241-M244 VanDerWaalsContact CD-CE 3.49Å; P241-M244 HydrophobicContact CG-CE 3.68Å; P241-M244 WeakPolarHBondContact O-CB 3.45Å; P241-M244 PolarHBondContact O-N 2.86Å
242R90.4Very high93.8Very high233 Ų23377.3 Ų77.388%0.87938%0.377SS*.THydrogen-bonded Turntrans-55.6146.1172.8-67-171.9-179.3-154.42.1109.7P240 M244P240-R242 PolarHBondContact O-N 3.44Å; R242-M244 PolarHBondContact O-N 2.94Å
243D91.3Very high94Very high160 Ų16075 Ų7586%0.85637%0.368SS*.THydrogen-bonded Turntrans61.58.4179.6-47.2-50000115.7P245D243-P245 WeakPolarHBondContact O-CD 3.37Å
244M93.4Very high94.1Very high33 Ų3374.9 Ų74.916%0.16337%0.368CS..  trans-58.4127171.6-179.7174.3-78.700109.6P240 P241 R242 R248 Q249 F252P240-M244 HydrophobicContact CB-SD 4Å; P241-M244 HydrophobicContact CB-CE 4.19Å; P241-M244 VanDerWaalsContact CD-CE 3.49Å; P241-M244 HydrophobicContact CG-CE 3.68Å; P241-M244 WeakPolarHBondContact O-CB 3.45Å; P241-M244 PolarHBondContact O-N 2.86Å; R242-M244 PolarHBondContact O-N 2.94Å; M244-R248 HydrophobicContact CG-CB 3.49Å; M244-R248 VanDerWaalsContact CG-CB 3.49Å; M244-R248 HydrophobicContact SD-CB 3.77Å; M244-Q249 HydrophobicContact CB-CG 3.86Å; M244-Q249 HydrophobicContact CG-CG 3.76Å; M244-Q249 WeakPolarHBondContact O-CG 3.48Å; M244-Q249 PolarHBondContact O-NE2 3.22Å; M244-Q249 HydrophobicContact SD-CG 4.03Å; M244-F252 HydrophobicContact SD-CB 4.37Å
245P93.7Very high94.2Very high67 Ų6777.8 Ų77.844%0.43538%0.381SS..  trans-56.9146.3175.9-26.233.4000112.2D243 A247 R248 Q249D243-P245 WeakPolarHBondContact O-CD 3.37Å; P245-A247 VanDerWaalsContact C-N 3.27Å; P245-A247 PolarHBondContact O-N 3Å; P245-A247 VanDerWaalsContact O-N 3.12Å; P245-R248 VanDerWaalsContact CD-NH2 3.32Å; P245-R248 WeakPolarHBondContact O-CA 3.26Å; P245-R248 WeakPolarHBondContact O-CB 3.21Å; P245-R248 PolarHBondContact O-N 3.23Å; P245-Q249 PolarHBondContact O-N 3.08Å
246M91.4Very high94.2Very high85 Ų8578.4 Ų78.442%0.41939%0.385SS..Hα-helixtrans-51.7-41.7-174.3-170.663.5-179.100113.8F195 L199 R248 Q249 A250F195-M246 HydrophobicContact CD1-CE 4.03Å; F195-M246 HydrophobicContact CE1-CE 3.62Å; L199-M246 HydrophobicContact CD1-CE 3.62Å; L199-M246 HydrophobicContact CD1-SD 3.8Å; L199-M246 HydrophobicContact CD2-CE 3.73Å; L199-M246 HydrophobicContact CD2-SD 4.44Å; L199-M246 HydrophobicContact CG-CE 3.43Å; L199-M246 VanDerWaalsContact CG-CE 3.43Å; L199-M246 HydrophobicContact CG-SD 4.25Å; M246-R248 VanDerWaalsContact C-N 3.3Å; M246-R248 PolarHBondContact O-N 3.29Å; M246-Q249 PolarHBondContact O-N 3.41Å; M246-A250 PolarHBondContact O-N 2.72Å
247A91.9Very high94.4Very high79 Ų7974.6 Ų74.665%0.65337%0.371SS*.Hα-helixtrans-63.7-34.1177.900000112.9P245 R251P245-A247 VanDerWaalsContact C-N 3.27Å; P245-A247 PolarHBondContact O-N 3Å; P245-A247 VanDerWaalsContact O-N 3.12Å; A247-R251 PolarHBondContact O-N 3.38Å
248R95Very high94.7Very high159 Ų15972.7 Ų72.760%0.636%0.358SS*.Hα-helixtrans-75.7-36.5174.6-71-160.8-74.6170.8-1.7111.5M244 P245 M246 A250 R251 F252M244-R248 HydrophobicContact CG-CB 3.49Å; M244-R248 VanDerWaalsContact CG-CB 3.49Å; M244-R248 HydrophobicContact SD-CB 3.77Å; P245-R248 VanDerWaalsContact CD-NH2 3.32Å; P245-R248 WeakPolarHBondContact O-CA 3.26Å; P245-R248 WeakPolarHBondContact O-CB 3.21Å; P245-R248 PolarHBondContact O-N 3.23Å; M246-R248 VanDerWaalsContact C-N 3.3Å; M246-R248 PolarHBondContact O-N 3.29Å; R248-A250 VanDerWaalsContact C-N 3.32Å; R248-A250 PolarHBondContact O-N 2.91Å; R248-R251 PolarHBondContact O-N 3.08Å; R248-F252 WeakPolarHBondContact O-CB 3.49Å; R248-F252 PolarHBondContact O-N 3.46Å
249Q96.1Very high94.8Very high26 Ų2676.9 Ų76.912%0.12138%0.375CS..Hα-helixtrans-61.5-41.8171.7-63.3-174.230.200111.4L199 P240 M244 P245 M246 F252 Y253 N342L199-Q249 HydrophobicContact CD1-CB 3.84Å; L199-Q249 VanDerWaalsContact CD1-OE1 3.31Å; L199-Q249 HydrophobicContact CD2-CB 4.47Å; P240-Q249 HydrophobicContact CB-CG 4.22Å; P240-Q249 HydrophobicContact CG-CG 4.18Å; M244-Q249 HydrophobicContact CB-CG 3.86Å; M244-Q249 HydrophobicContact CG-CG 3.76Å; M244-Q249 WeakPolarHBondContact O-CG 3.48Å; M244-Q249 PolarHBondContact O-NE2 3.22Å; M244-Q249 HydrophobicContact SD-CG 4.03Å; P245-Q249 PolarHBondContact O-N 3.08Å; M246-Q249 PolarHBondContact O-N 3.41Å; Q249-F252 WeakPolarHBondContact O-CB 3.48Å; Q249-F252 PolarHBondContact O-N 3.19Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.45Å; Q249-Y253 PolarHBondContact O-N 3.22Å; Q249-N342 PolarHBondContact OE1-ND2 2.71Å; Q249-N342 VanDerWaalsContact OE1-ND2 3.12Å
250A96.3Very high95.1Very high2 Ų273.8 Ų73.82%0.01735%0.354CS..Hα-helixtrans-58.5-51.5175.800000111.2F195 L199 L207 M246 R248 F252 Y253 G254F195-A250 HydrophobicContact CD1-CB 4.45Å; F195-A250 HydrophobicContact CG-CB 4.32Å; L199-A250 VanDerWaalsContact CD2-CA 3.49Å; L199-A250 HydrophobicContact CD2-CB 3.85Å; L207-A250 WeakPolarHBondContact CB-O 3.3Å; L207-A250 HydrophobicContact CD2-CB 3.96Å; M246-A250 PolarHBondContact O-N 2.72Å; R248-A250 VanDerWaalsContact C-N 3.32Å; R248-A250 PolarHBondContact O-N 2.91Å; A250-F252 VanDerWaalsContact C-N 3.34Å; A250-F252 PolarHBondContact O-N 3.47Å; A250-Y253 PolarHBondContact O-N 3.12Å; A250-G254 PolarHBondContact O-N 3.09Å
251R96.2Very high95.4Very high162 Ų16273.3 Ų73.361%0.61135%0.351SS*.Hα-helixtrans-60.3-40.9176.5-171.5175.7-179.4179.50.4112.7M208 A247 R248 G254 L255M208-R251 HydrophobicContact SD-CG 4.25Å; A247-R251 PolarHBondContact O-N 3.38Å; R248-R251 PolarHBondContact O-N 3.08Å; R251-G254 PolarHBondContact O-N 3.23Å; R251-L255 HydrophobicContact CG-CD1 4.4Å; R251-L255 WeakPolarHBondContact O-CG 3.45Å; R251-L255 PolarHBondContact O-N 2.94Å
252F97.4Very high95.8Very high54 Ų5474.2 Ų74.224%0.23735%0.351CS..Hα-helixtrans-56.5-54.8175.7172.2-91.8000111E238 P240 M244 R248 Q249 A250 G254 L255 V256E238-F252 HydrophobicContact CB-CE1 4.35Å; P240-F252 HydrophobicContact CB-CD1 3.84Å; P240-F252 HydrophobicContact CB-CE1 4.15Å; P240-F252 HydrophobicContact CB-CG 4.19Å; P240-F252 HydrophobicContact CG-CD1 4.43Å; M244-F252 HydrophobicContact SD-CB 4.37Å; R248-F252 WeakPolarHBondContact O-CB 3.49Å; R248-F252 PolarHBondContact O-N 3.46Å; Q249-F252 WeakPolarHBondContact O-CB 3.48Å; Q249-F252 PolarHBondContact O-N 3.19Å; A250-F252 VanDerWaalsContact C-N 3.34Å; A250-F252 PolarHBondContact O-N 3.47Å; F252-G254 VanDerWaalsContact C-N 3.31Å; F252-G254 PolarHBondContact O-N 3.02Å; F252-L255 PolarHBondContact O-N 3.49Å; F252-V256 HydrophobicContact CD1-CG2 4.35Å; F252-V256 HydrophobicContact CE1-CG2 3.97Å; F252-V256 HydrophobicContact CE2-CG2 4.31Å; F252-V256 HydrophobicContact CZ-CG2 3.93Å; F252-V256 WeakPolarHBondContact O-CG2 3.44Å; F252-V256 PolarHBondContact O-N 3.36Å
253Y97.8Very high96.1Very high26 Ų2666.7 Ų66.710%0.10233%0.329CS..Hα-helixtrans-63.8-35.5178-82.4-64.6000112.5L199 E238 P240 Q249 A250 L255 V256 K257L199-Y253 HydrophobicContact CB-CD2 3.86Å; L199-Y253 HydrophobicContact CB-CE2 4.15Å; L199-Y253 HydrophobicContact CD1-CD2 4.19Å; L199-Y253 HydrophobicContact CD1-CE2 4.21Å; L199-Y253 HydrophobicContact CD2-CD2 4.34Å; L199-Y253 HydrophobicContact CG-CD2 4.36Å; E238-Y253 HydrophobicContact CB-CE1 4.43Å; E238-Y253 PolarHBondContact O-OH 2.72Å; P240-Y253 WeakPolarHBondContact CD-OH 3.44Å; P240-Y253 HydrophobicContact CG-CE2 3.98Å; Q249-Y253 WeakPolarHBondContact O-CD2 3.45Å; Q249-Y253 PolarHBondContact O-N 3.22Å; A250-Y253 PolarHBondContact O-N 3.12Å; Y253-L255 PolarHBondContact O-N 3.48Å; Y253-V256 PolarHBondContact O-N 3.16Å; Y253-K257 WeakPolarHBondContact O-CB 3.41Å; Y253-K257 WeakPolarHBondContact O-CG 3.42Å; Y253-K257 PolarHBondContact O-N 3.4Å
254G97.7Very high96.3Very high0 Ų061.8 Ų61.80%031%0.305CS..Hα-helixtrans-57.8-47.8175.500000112A250 R251 F252 Q258A250-G254 PolarHBondContact O-N 3.09Å; R251-G254 PolarHBondContact O-N 3.23Å; F252-G254 VanDerWaalsContact C-N 3.31Å; F252-G254 PolarHBondContact O-N 3.02Å; G254-Q258 WeakPolarHBondContact O-CB 3.29Å; G254-Q258 PolarHBondContact O-N 3.19Å
255L98Very high96.5Very high91 Ų9166 Ų6648%0.47633%0.333SS..Hα-helixtrans-66.3-42.9177.8-66.4174000112.5R251 F252 Y253 Q258 K259R251-L255 HydrophobicContact CG-CD1 4.4Å; R251-L255 WeakPolarHBondContact O-CG 3.45Å; R251-L255 PolarHBondContact O-N 2.94Å; F252-L255 PolarHBondContact O-N 3.49Å; Y253-L255 PolarHBondContact O-N 3.48Å; L255-Q258 PolarHBondContact O-N 3.4Å; L255-K259 WeakPolarHBondContact O-CG 3.38Å; L255-K259 PolarHBondContact O-N 3.42Å; L255-K259 VanDerWaalsContact O-N 3.15Å
256V97.8Very high96.6Very high13 Ų1366.3 Ų66.38%0.07933%0.331CS..Hα-helixtrans-59.6-51.5176.41670000110.6W235 E238 F252 Y253 Q258 K259 F260W235-V256 HydrophobicContact CB-CG1 3.55Å; W235-V256 HydrophobicContact CG-CG1 4.46Å; E238-V256 HydrophobicContact CB-CG1 4.17Å; E238-V256 HydrophobicContact CG-CG1 3.69Å; F252-V256 HydrophobicContact CD1-CG2 4.35Å; F252-V256 HydrophobicContact CE1-CG2 3.97Å; F252-V256 HydrophobicContact CE2-CG2 4.31Å; F252-V256 HydrophobicContact CZ-CG2 3.93Å; F252-V256 WeakPolarHBondContact O-CG2 3.44Å; F252-V256 PolarHBondContact O-N 3.36Å; Y253-V256 PolarHBondContact O-N 3.16Å; V256-Q258 VanDerWaalsContact C-N 3.33Å; V256-Q258 PolarHBondContact O-N 3.03Å; V256-K259 WeakPolarHBondContact O-CB 3.48Å; V256-K259 PolarHBondContact O-N 2.76Å; V256-F260 HydrophobicContact CG1-CD2 4.04Å; V256-F260 HydrophobicContact CG1-CE2 3.88Å; V256-F260 WeakPolarHBondContact O-CD2 3.22Å; V256-F260 PolarHBondContact O-N 3.19Å
257K98.1Very high96.8Very high0 Ų062.4 Ų62.40%031%0.311CS..Hα-helixtrans-60.2-42179.2-70.9-175.2-163.7-1660111.9L199 F200 A202 V204 L207 F223 W235 Y253 K259 F260 I261L199-K257 WeakPolarHBondContact O-CE 3.47Å; L199-K257 PolarHBondContact O-NZ 3.23Å; F200-K257 VanDerWaalsContact C-NZ 3.29Å; F200-K257 PolarHBondContact O-NZ 3.37Å; A202-K257 PolarHBondContact O-NZ 3.38Å; V204-K257 HydrophobicContact CG2-CB 3.71Å; L207-K257 HydrophobicContact CD1-CD 3.78Å; F223-K257 HydrophobicContact CE2-CD 4.05Å; W235-K257 HydrophobicContact CD2-CD 4.37Å; W235-K257 HydrophobicContact CD2-CG 3.67Å; W235-K257 VanDerWaalsContact CE2-CE 3.49Å; W235-K257 HydrophobicContact CE3-CB 4.37Å; W235-K257 HydrophobicContact CE3-CG 3.67Å; W235-K257 HydrophobicContact CG-CG 4.38Å; W235-K257 HydrophobicContact CH2-CD 3.95Å; W235-K257 HydrophobicContact CH2-CG 3.81Å; W235-K257 HydrophobicContact CZ2-CD 3.71Å; W235-K257 HydrophobicContact CZ2-CG 3.84Å; W235-K257 HydrophobicContact CZ3-CB 4.22Å; W235-K257 HydrophobicContact CZ3-CD 4.38Å; W235-K257 HydrophobicContact CZ3-CG 3.73Å; Y253-K257 WeakPolarHBondContact O-CB 3.41Å; Y253-K257 WeakPolarHBondContact O-CG 3.42Å; Y253-K257 PolarHBondContact O-N 3.4Å; K257-K259 VanDerWaalsContact C-N 3.31Å; K257-K259 PolarHBondContact O-N 3.34Å; K257-F260 PolarHBondContact O-N 2.87Å; K257-I261 HydrophobicContact CB-CD1 4.4Å; K257-I261 WeakPolarHBondContact O-CB 3.47Å; K257-I261 VanDerWaalsContact O-CG1 3.28Å; K257-I261 WeakPolarHBondContact O-CG1 3.18Å; K257-I261 PolarHBondContact O-N 2.64Å
258Q98Very high97.1Very high75 Ų7560.2 Ų60.235%0.3529%0.289SS..Hα-helixtrans-59.2-41177.6-171.167.262.400112.1V204 G254 L255 V256 I261 N262V204-Q258 HydrophobicContact CG1-CB 4.42Å; G254-Q258 WeakPolarHBondContact O-CB 3.29Å; G254-Q258 PolarHBondContact O-N 3.19Å; L255-Q258 PolarHBondContact O-N 3.4Å; V256-Q258 VanDerWaalsContact C-N 3.33Å; V256-Q258 PolarHBondContact O-N 3.03Å; Q258-I261 PolarHBondContact O-N 3.46Å; Q258-N262 PolarHBondContact NE2-ND2 3.08Å; Q258-N262 PolarHBondContact NE2-OD1 3.02Å; Q258-N262 VanDerWaalsContact O-CB 3.31Å; Q258-N262 WeakPolarHBondContact O-CB 3.42Å; Q258-N262 VanDerWaalsContact O-CG 3.23Å; Q258-N262 PolarHBondContact O-N 3.38Å
259K97.9Very high97.1Very high160 Ų16057.3 Ų57.370%0.69628%0.282SS*.Hα-helixtrans-60.3-47.2176.3-71.7176.5179.5-176.90111.7L255 V256 K257 N263L255-K259 WeakPolarHBondContact O-CG 3.38Å; L255-K259 PolarHBondContact O-N 3.42Å; L255-K259 VanDerWaalsContact O-N 3.15Å; V256-K259 WeakPolarHBondContact O-CB 3.48Å; V256-K259 PolarHBondContact O-N 2.76Å; K257-K259 VanDerWaalsContact C-N 3.31Å; K257-K259 PolarHBondContact O-N 3.34Å; K259-N263 PolarHBondContact O-N 2.86Å
260F97.6Very high97Very high29 Ų2961.4 Ų61.413%0.12731%0.305CS..Hα-helixtrans-64-49.7176.7-75.8-76.2000111.5P234 W235 V256 K257 N262 N263 L266 F267P234-F260 HydrophobicContact CB-CB 4.28Å; P234-F260 HydrophobicContact CB-CD1 3.44Å; P234-F260 VanDerWaalsContact CB-CD1 3.44Å; P234-F260 HydrophobicContact CB-CD2 4.16Å; P234-F260 HydrophobicContact CB-CE1 3.66Å; P234-F260 HydrophobicContact CB-CE2 4.35Å; P234-F260 HydrophobicContact CB-CG 3.72Å; P234-F260 HydrophobicContact CB-CZ 4.12Å; P234-F260 WeakPolarHBondContact O-CZ 3.37Å; W235-F260 HydrophobicContact CB-CD2 4.44Å; W235-F260 HydrophobicContact CB-CE2 4.14Å; W235-F260 HydrophobicContact CE3-CD2 4.11Å; V256-F260 HydrophobicContact CG1-CD2 4.04Å; V256-F260 HydrophobicContact CG1-CE2 3.88Å; V256-F260 WeakPolarHBondContact O-CD2 3.22Å; V256-F260 PolarHBondContact O-N 3.19Å; K257-F260 PolarHBondContact O-N 2.87Å; F260-N262 PolarHBondContact O-N 2.91Å; F260-N263 CarbonylContact O-C 3.6Å; F260-N263 VanDerWaalsContact O-C 3.24Å; F260-N263 WeakPolarHBondContact O-CA 3.29Å; F260-N263 PolarHBondContact O-N 3.39Å; F260-L266 HydrophobicContact CD1-CD2 3.62Å; F260-L266 HydrophobicContact CD1-CG 3.76Å; F260-L266 HydrophobicContact CE1-CD1 4.5Å; F260-L266 HydrophobicContact CE1-CD2 3.49Å; F260-L266 VanDerWaalsContact CE1-CD2 3.49Å; F260-L266 HydrophobicContact CE1-CG 3.76Å; F260-F267 HydrophobicContact CB-CD2 3.99Å; F260-F267 WeakPolarHBondContact O-CB 3.44Å
261I97.7Very high97.1Very high7 Ų762.3 Ų62.34%0.03631%0.311CS..Hα-helixtrans-60.2-31.4-178.9-69.1165.5000112.5V204 W219 F223 K257 Q258 N263 F267 K283V204-I261 HydrophobicContact CG2-CD1 3.79Å; W219-I261 HydrophobicContact CH2-CD1 4.21Å; W219-I261 HydrophobicContact CH2-CG1 4.43Å; W219-I261 HydrophobicContact CH2-CG2 4Å; W219-I261 HydrophobicContact CZ3-CD1 4.08Å; W219-I261 HydrophobicContact CZ3-CG1 4.35Å; F223-I261 HydrophobicContact CE1-CD1 4.48Å; F223-I261 HydrophobicContact CZ-CD1 4.08Å; K257-I261 HydrophobicContact CB-CD1 4.4Å; K257-I261 WeakPolarHBondContact O-CB 3.47Å; K257-I261 VanDerWaalsContact O-CG1 3.28Å; K257-I261 WeakPolarHBondContact O-CG1 3.18Å; K257-I261 PolarHBondContact O-N 2.64Å; Q258-I261 PolarHBondContact O-N 3.46Å; I261-N263 VanDerWaalsContact C-N 3.27Å; I261-N263 PolarHBondContact O-N 3.3Å; I261-F267 HydrophobicContact CG1-CD2 3.87Å; I261-F267 HydrophobicContact CG1-CE2 3.67Å; I261-K283 HydrophobicContact CG2-CD 3.97Å; I261-K283 HydrophobicContact CG2-CG 3.94Å; I261-K283 PolarHBondContact O-NZ 3.3Å
262N97.6Very high97.2Very high98 Ų9855.3 Ų55.352%0.52429%0.286SS..THydrogen-bonded Turntrans-78.1-10175.5-72.3-7000113.6Q258 F260 P264Q258-N262 PolarHBondContact NE2-ND2 3.08Å; Q258-N262 PolarHBondContact NE2-OD1 3.02Å; Q258-N262 VanDerWaalsContact O-CB 3.31Å; Q258-N262 WeakPolarHBondContact O-CB 3.42Å; Q258-N262 VanDerWaalsContact O-CG 3.23Å; Q258-N262 PolarHBondContact O-N 3.38Å; F260-N262 PolarHBondContact O-N 2.91Å; N262-P264 WeakPolarHBondContact O-CD 3.37Å
263N97.5Very high97.2Very high75 Ų7557 Ų5740%0.40130%0.302SS..  trans-119.681.2172.7-173.4-17.2000110.2K259 F260 I261 T265 L266 F267K259-N263 PolarHBondContact O-N 2.86Å; F260-N263 CarbonylContact O-C 3.6Å; F260-N263 VanDerWaalsContact O-C 3.24Å; F260-N263 WeakPolarHBondContact O-CA 3.29Å; F260-N263 PolarHBondContact O-N 3.39Å; I261-N263 VanDerWaalsContact C-N 3.27Å; I261-N263 PolarHBondContact O-N 3.3Å; N263-T265 PolarHBondContact O-N 3.45Å; N263-L266 HydrophobicContact CB-CB 4.24Å; N263-L266 PolarHBondContact O-N 3.26Å; N263-L266 PolarHBondContact OD1-N 2.87Å; N263-F267 PolarHBondContact O-N 3.38Å
264P95.8Very high97.2Very high56 Ų5656.6 Ų56.636%0.36430%0.302SS..Hα-helixtrans-55.3-34-177.4-27.936.3000114.2N262 L266 F267 L268 L279N262-P264 WeakPolarHBondContact O-CD 3.37Å; P264-L266 VanDerWaalsContact C-N 3.31Å; P264-L266 PolarHBondContact O-N 3.06Å; P264-F267 PolarHBondContact O-N 3.12Å; P264-L268 VanDerWaalsContact O-CB 3.29Å; P264-L268 WeakPolarHBondContact O-CB 3.28Å; P264-L268 PolarHBondContact O-N 2.9Å; P264-L279 HydrophobicContact CB-CD2 4.05Å; P264-L279 HydrophobicContact CG-CD2 4.44Å
265T96.4Very high97.3Very high123 Ų12356.7 Ų56.776%0.75530%0.302SS*.Hα-helixtrans-59.4-43.2176.8-53.40000111.6N263 Q269N263-T265 PolarHBondContact O-N 3.45Å; T265-Q269 PolarHBondContact O-N 3.49Å
266L95.7Very high97.3Very high72 Ų7254.2 Ų54.238%0.37730%0.295SS..Hα-helixtrans-78.2-40.2177.8-176.162.4000112F260 N263 P264 Q269F260-L266 HydrophobicContact CD1-CD2 3.62Å; F260-L266 HydrophobicContact CD1-CG 3.76Å; F260-L266 HydrophobicContact CE1-CD1 4.5Å; F260-L266 HydrophobicContact CE1-CD2 3.49Å; F260-L266 VanDerWaalsContact CE1-CD2 3.49Å; F260-L266 HydrophobicContact CE1-CG 3.76Å; N263-L266 HydrophobicContact CB-CB 4.24Å; N263-L266 PolarHBondContact O-N 3.26Å; N263-L266 PolarHBondContact OD1-N 2.87Å; P264-L266 VanDerWaalsContact C-N 3.31Å; P264-L266 PolarHBondContact O-N 3.06Å; L266-Q269 WeakPolarHBondContact O-CB 3.33Å; L266-Q269 PolarHBondContact O-N 2.92Å
267F97.3Very high97.3Very high3 Ų355.9 Ų55.91%0.01331%0.306CS..Hα-helixtrans-64.8-40.9-179.4-177.1-80.8000112.3F222 F223 L226 P234 W235 F260 I261 N263 P264 Q269 L279F222-F267 HydrophobicContact CD1-CE1 4.33Å; F222-F267 HydrophobicContact CD1-CZ 4.3Å; F222-F267 AromaticContact CE1-CE1 3.59Å; F222-F267 HydrophobicContact CE1-CE1 3.59Å; F222-F267 HydrophobicContact CE1-CZ 4.01Å; F222-F267 HydrophobicContact CZ-CE1 4.25Å; F223-F267 HydrophobicContact CD1-CZ 4.17Å; F223-F267 HydrophobicContact CE1-CE2 4.05Å; F223-F267 AromaticContact CE1-CZ 3.89Å; F223-F267 HydrophobicContact CE1-CZ 3.89Å; L226-F267 HydrophobicContact CD1-CE1 3.72Å; L226-F267 HydrophobicContact CD1-CE2 4.49Å; L226-F267 HydrophobicContact CD1-CZ 3.6Å; P234-F267 HydrophobicContact CG-CD2 4.15Å; P234-F267 HydrophobicContact CG-CE2 4.49Å; P234-F267 HydrophobicContact CG-CG 4.46Å; W235-F267 HydrophobicContact CH2-CE2 4.18Å; W235-F267 HydrophobicContact CZ3-CD2 4.38Å; W235-F267 AromaticContact CZ3-CE2 3.86Å; W235-F267 HydrophobicContact CZ3-CE2 3.86Å; F260-F267 HydrophobicContact CB-CD2 3.99Å; F260-F267 WeakPolarHBondContact O-CB 3.44Å; I261-F267 HydrophobicContact CG1-CD2 3.87Å; I261-F267 HydrophobicContact CG1-CE2 3.67Å; N263-F267 PolarHBondContact O-N 3.38Å; P264-F267 PolarHBondContact O-N 3.12Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; F267-L279 HydrophobicContact CD1-CD1 4.17Å; F267-L279 HydrophobicContact CD1-CD2 3.84Å; F267-L279 HydrophobicContact CE1-CD1 3.96Å; F267-L279 HydrophobicContact CE1-CD2 4.35Å; F267-L279 HydrophobicContact CG-CD2 4.41Å; F267-L279 HydrophobicContact CZ-CD1 4.33Å
268L96.9Very high97.4Very high33 Ų3355.9 Ų55.917%0.17331%0.306CS..THydrogen-bonded Turntrans-95.414.7-178.2-61.2174.3000113F222 P264 D270 C271 A276 L279F222-L268 HydrophobicContact CZ-CD2 4.32Å; P264-L268 VanDerWaalsContact O-CB 3.29Å; P264-L268 WeakPolarHBondContact O-CB 3.28Å; P264-L268 PolarHBondContact O-N 2.9Å; L268-D270 PolarHBondContact O-N 2.97Å; L268-C271 VanDerWaalsContact CA-SG 3.53Å; L268-C271 HydrophobicContact CB-CB 4.16Å; L268-C271 HydrophobicContact CD2-CB 4.23Å; L268-C271 VanDerWaalsContact O-CB 3.25Å; L268-C271 WeakPolarHBondContact O-CB 3.17Å; L268-C271 PolarHBondContact O-N 2.92Å; L268-A276 HydrophobicContact CD1-CB 3.69Å; L268-L279 HydrophobicContact CD1-CB 4.39Å; L268-L279 HydrophobicContact CD1-CD2 3.71Å; L268-L279 HydrophobicContact CD2-CB 4.43Å; L268-L279 HydrophobicContact CD2-CD2 4.16Å; L268-L279 HydrophobicContact CG-CD2 3.81Å
269Q95.5Very high97.4Very high99 Ų9952.5 Ų52.546%0.46329%0.29SS..THydrogen-bonded Turntrans-56.4129.3175.8-171.2-179.23.100109.7T265 L266 F267 C271T265-Q269 PolarHBondContact O-N 3.49Å; L266-Q269 WeakPolarHBondContact O-CB 3.33Å; L266-Q269 PolarHBondContact O-N 2.92Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-C271 PolarHBondContact O-N 3.39Å; Q269-C271 VanDerWaalsContact O-N 3.11Å
270D94.6Very high97.4Very high112 Ų11248.8 Ų48.860%0.59928%0.284SS*.THydrogen-bonded Turntrans628.3-176.5-43.3-42.8000115.5L230 R232 L268L230-D270 WeakPolarHBondContact CD2-O 3.47Å; R232-D270 IonicContact CZ-OD2 3.24Å; R232-D270 IonicContact NH2-OD2 3.8Å; R232-D270 PolarHBondContact NH2-OD2 3.02Å; L268-D270 PolarHBondContact O-N 2.97Å
271C97.6Very high97.5Very high21 Ų2148.9 Ų48.914%0.14229%0.285CS..  trans-75.8150.1175.4-65.60000111.2L226 L230 L268 Q269 Y275L226-C271 VanDerWaalsContact CD2-SG 3.54Å; L230-C271 HydrophobicContact CD1-CB 4.38Å; L230-C271 WeakPolarHBondContact CD1-SG 3.17Å; L268-C271 VanDerWaalsContact CA-SG 3.53Å; L268-C271 HydrophobicContact CB-CB 4.16Å; L268-C271 HydrophobicContact CD2-CB 4.23Å; L268-C271 VanDerWaalsContact O-CB 3.25Å; L268-C271 WeakPolarHBondContact O-CB 3.17Å; L268-C271 PolarHBondContact O-N 2.92Å; Q269-C271 PolarHBondContact O-N 3.39Å; Q269-C271 VanDerWaalsContact O-N 3.11Å; C271-Y275 HydrophobicContact CB-CD2 3.98Å; C271-Y275 HydrophobicContact CB-CG 4.48Å
272P97.8Very high97.5Very high15 Ų1548.6 Ų48.610%0.09728%0.284CS..  trans-54.4140.2162.8-2333.3000111.1E274 Y275 L303P272-E274 VanDerWaalsContact CB-OE2 3.28Å; P272-E274 WeakPolarHBondContact CB-OE2 3.24Å; P272-E274 PolarHBondContact O-N 3.28Å; P272-E274 VanDerWaalsContact O-N 3.09Å; P272-Y275 HydrophobicContact CB-CD1 4.46Å; P272-Y275 HydrophobicContact CG-CE1 4.33Å; P272-Y275 HydrophobicContact CG-CE2 4.46Å; P272-Y275 WeakPolarHBondContact O-CB 3.3Å; P272-Y275 PolarHBondContact O-N 2.87Å; P272-L303 HydrophobicContact CB-CD1 3.43Å; P272-L303 VanDerWaalsContact CB-CD1 3.43Å; P272-L303 HydrophobicContact CB-CG 4.41Å; P272-L303 HydrophobicContact CG-CD1 3.55Å
273P98Very high97.5Very high89 Ų8948.2 Ų48.258%0.57828%0.277SS*.THydrogen-bonded Turntrans-57.9-26.9-178.722.5-33.6000113.2Y275 A276 P277P273-Y275 PolarHBondContact O-N 3.38Å; P273-Y275 VanDerWaalsContact O-N 3.15Å; P273-A276 WeakPolarHBondContact O-CB 3.47Å; P273-A276 PolarHBondContact O-N 3.35Å; P273-A276 VanDerWaalsContact O-N 3.12Å; P273-P277 WeakPolarHBondContact O-CD 3.16Å
274E98.5Very high97.6Very high18 Ų1848.1 Ų48.18%0.08429%0.287CS..THydrogen-bonded Turntrans-63.5-15.8176.9-60.883.9-179.900113.5P272 P277 Q299 A302 L303 R306P272-E274 VanDerWaalsContact CB-OE2 3.28Å; P272-E274 WeakPolarHBondContact CB-OE2 3.24Å; P272-E274 PolarHBondContact O-N 3.28Å; P272-E274 VanDerWaalsContact O-N 3.09Å; E274-P277 WeakPolarHBondContact O-CD 3.47Å; E274-Q299 HydrophobicContact CB-CB 4.08Å; E274-Q299 WeakPolarHBondContact CB-O 3.26Å; E274-Q299 WeakPolarHBondContact O-CB 3.44Å; E274-Q299 VanDerWaalsContact O-CG 3.29Å; E274-Q299 WeakPolarHBondContact O-CG 3.44Å; E274-Q299 PolarHBondContact O-OE1 3.42Å; E274-A302 HydrophobicContact CG-CB 4.03Å; E274-L303 HydrophobicContact CB-CB 4.42Å; E274-L303 HydrophobicContact CG-CB 4.04Å; E274-R306 IonicContact OE1-CZ 3.41Å; E274-R306 IonicContact OE1-NE 2.71Å; E274-R306 PolarHBondContact OE1-NE 3.04Å; E274-R306 IonicContact OE1-NH2 3.24Å; E274-R306 PolarHBondContact OE1-NH2 3.47Å; E274-R306 IonicContact OE2-CZ 3.71Å; E274-R306 IonicContact OE2-NE 3.76Å; E274-R306 IonicContact OE2-NH2 2.82Å; E274-R306 PolarHBondContact OE2-NH2 3.03Å
275Y98.6Very high97.7Very high2 Ų246.6 Ų46.61%0.00828%0.276CS..Hα-helixtrans-78.6-19.8176.3-73.811.4000112.9M129 F222 L225 L226 S229 C271 P272 P273 I278 L279 L303M129-Y275 HydrophobicContact CE-CE1 4.2Å; M129-Y275 VanDerWaalsContact CE-OH 3.32Å; M129-Y275 WeakPolarHBondContact CE-OH 3.41Å; F222-Y275 HydrophobicContact CE2-CD2 4Å; F222-Y275 AromaticContact CE2-CG 3.98Å; F222-Y275 HydrophobicContact CE2-CG 3.98Å; F222-Y275 HydrophobicContact CZ-CD2 4.43Å; F222-Y275 HydrophobicContact CZ-CG 4.4Å; L225-Y275 HydrophobicContact CD2-CE1 3.83Å; L225-Y275 HydrophobicContact CD2-CE2 4.41Å; L225-Y275 HydrophobicContact CG-CE1 4.34Å; L225-Y275 HydrophobicContact CG-CE2 4.26Å; L225-Y275 WeakPolarHBondContact CG-OH 3.46Å; L226-Y275 HydrophobicContact CD2-CD2 3.66Å; L226-Y275 HydrophobicContact CD2-CE2 3.86Å; S229-Y275 WeakPolarHBondContact CB-OH 3.47Å; S229-Y275 PolarHBondContact OG-OH 3.02Å; C271-Y275 HydrophobicContact CB-CD2 3.98Å; C271-Y275 HydrophobicContact CB-CG 4.48Å; P272-Y275 HydrophobicContact CB-CD1 4.46Å; P272-Y275 HydrophobicContact CG-CE1 4.33Å; P272-Y275 HydrophobicContact CG-CE2 4.46Å; P272-Y275 WeakPolarHBondContact O-CB 3.3Å; P272-Y275 PolarHBondContact O-N 2.87Å; P273-Y275 PolarHBondContact O-N 3.38Å; P273-Y275 VanDerWaalsContact O-N 3.15Å; Y275-I278 HydrophobicContact CD1-CD1 4.36Å; Y275-I278 PolarHBondContact O-N 3.14Å; Y275-L279 PolarHBondContact O-N 3.1Å; Y275-L303 HydrophobicContact CE1-CD1 4.32Å
276A98.5Very high97.8Very high39 Ų3944.4 Ų44.432%0.32226%0.262SS..Hα-helixtrans-64.3-45.9-179.800000113.2L268 P273 I278 L279 S280L268-A276 HydrophobicContact CD1-CB 3.69Å; P273-A276 WeakPolarHBondContact O-CB 3.47Å; P273-A276 PolarHBondContact O-N 3.35Å; P273-A276 VanDerWaalsContact O-N 3.12Å; A276-I278 VanDerWaalsContact C-N 3.3Å; A276-I278 PolarHBondContact O-N 3.24Å; A276-L279 PolarHBondContact O-N 2.82Å; A276-S280 PolarHBondContact O-N 2.65Å; A276-S280 PolarHBondContact O-OG 2.85Å
277P98.6Very high97.8Very high48 Ų4842.5 Ų42.531%0.31225%0.25SC..Hα-helixtrans-60.1-36.2173-26.536000113.8P273 E274 S280 H281 Q299P273-P277 WeakPolarHBondContact O-CD 3.16Å; E274-P277 WeakPolarHBondContact O-CD 3.47Å; P277-S280 PolarHBondContact O-N 3.11Å; P277-H281 WeakPolarHBondContact O-CB 3.48Å; P277-H281 PolarHBondContact O-N 2.71Å; P277-Q299 HydrophobicContact CB-CG 4.05Å; P277-Q299 HydrophobicContact CG-CG 4.4Å
278I98.7Very high97.8Very high0 Ų046.4 Ų46.40%028%0.278CS..Hα-helixtrans-62.6-49.5175.6-59.9175000109.8W221 F222 Y275 A276 S280 H281 L282 Q299W221-I278 HydrophobicContact CH2-CD1 4.4Å; W221-I278 HydrophobicContact CZ3-CG2 4.2Å; F222-I278 HydrophobicContact CD1-CG2 4.45Å; F222-I278 HydrophobicContact CD2-CG2 3.74Å; F222-I278 HydrophobicContact CE1-CG2 4.48Å; F222-I278 HydrophobicContact CE2-CB 4.13Å; F222-I278 HydrophobicContact CE2-CD1 4.47Å; F222-I278 HydrophobicContact CE2-CG2 3.8Å; F222-I278 HydrophobicContact CG-CG2 4.09Å; F222-I278 HydrophobicContact CZ-CB 4.33Å; F222-I278 HydrophobicContact CZ-CG2 4.18Å; Y275-I278 HydrophobicContact CD1-CD1 4.36Å; Y275-I278 PolarHBondContact O-N 3.14Å; A276-I278 VanDerWaalsContact C-N 3.3Å; A276-I278 PolarHBondContact O-N 3.24Å; I278-S280 PolarHBondContact O-N 3.28Å; I278-H281 WeakPolarHBondContact O-CB 3.45Å; I278-H281 PolarHBondContact O-N 3.44Å; I278-L282 HydrophobicContact CG2-CD1 4.06Å; I278-L282 HydrophobicContact CG2-CG 4.32Å; I278-L282 WeakPolarHBondContact O-CG 3.43Å; I278-L282 PolarHBondContact O-N 2.9Å; I278-Q299 HydrophobicContact CD1-CB 3.93Å; I278-Q299 HydrophobicContact CD1-CG 4.41Å; I278-Q299 HydrophobicContact CG1-CB 4.01Å; I278-Q299 HydrophobicContact CG1-CG 3.92Å
279L98.6Very high97.8Very high3 Ų347.7 Ų47.72%0.01629%0.285CS..Hα-helixtrans-57.6-47.9177.8177.263.3000111.7W219 F222 P264 F267 L268 Y275 A276 H281 L282 K283W219-L279 HydrophobicContact CH2-CD1 3.76Å; W219-L279 HydrophobicContact CZ3-CD1 3.92Å; F222-L279 HydrophobicContact CE1-CB 4.04Å; F222-L279 HydrophobicContact CE1-CD1 4.24Å; F222-L279 HydrophobicContact CZ-CB 4.37Å; P264-L279 HydrophobicContact CB-CD2 4.05Å; P264-L279 HydrophobicContact CG-CD2 4.44Å; F267-L279 HydrophobicContact CD1-CD1 4.17Å; F267-L279 HydrophobicContact CD1-CD2 3.84Å; F267-L279 HydrophobicContact CE1-CD1 3.96Å; F267-L279 HydrophobicContact CE1-CD2 4.35Å; F267-L279 HydrophobicContact CG-CD2 4.41Å; F267-L279 HydrophobicContact CZ-CD1 4.33Å; L268-L279 HydrophobicContact CD1-CB 4.39Å; L268-L279 HydrophobicContact CD1-CD2 3.71Å; L268-L279 HydrophobicContact CD2-CB 4.43Å; L268-L279 HydrophobicContact CD2-CD2 4.16Å; L268-L279 HydrophobicContact CG-CD2 3.81Å; Y275-L279 PolarHBondContact O-N 3.1Å; A276-L279 PolarHBondContact O-N 2.82Å; L279-H281 VanDerWaalsContact C-N 3.3Å; L279-H281 PolarHBondContact O-N 2.66Å; L279-L282 PolarHBondContact O-N 3.43Å; L279-K283 HydrophobicContact CD1-CD 4.1Å; L279-K283 HydrophobicContact CD1-CG 4.21Å; L279-K283 HydrophobicContact CG-CD 4.1Å; L279-K283 WeakPolarHBondContact O-CG 3.37Å; L279-K283 PolarHBondContact O-N 3.34Å
280S98.5Very high97.9Very high83 Ų8351.2 Ų51.258%0.5830%0.299SS*.Hα-helixtrans-59.1-42.3178.9-67.10000111.9A276 P277 I278 A284A276-S280 PolarHBondContact O-N 2.65Å; A276-S280 PolarHBondContact O-OG 2.85Å; P277-S280 PolarHBondContact O-N 3.11Å; I278-S280 PolarHBondContact O-N 3.28Å; S280-A284 PolarHBondContact O-N 3.46Å
281H98.7Very high98.1Very high31 Ų3146.1 Ų46.114%0.14427%0.272CS..Hα-helixtrans-61.3-51175170.557.6000112.3P277 I278 L279 K283 A284 L285 N292 L295P277-H281 WeakPolarHBondContact O-CB 3.48Å; P277-H281 PolarHBondContact O-N 2.71Å; I278-H281 WeakPolarHBondContact O-CB 3.45Å; I278-H281 PolarHBondContact O-N 3.44Å; L279-H281 VanDerWaalsContact C-N 3.3Å; L279-H281 PolarHBondContact O-N 2.66Å; H281-K283 VanDerWaalsContact C-N 3.26Å; H281-K283 PolarHBondContact O-N 3.29Å; H281-A284 WeakPolarHBondContact O-CB 3.29Å; H281-A284 PolarHBondContact O-N 2.94Å; H281-L285 PolarHBondContact O-N 2.94Å; H281-N292 VanDerWaalsContact CE1-CB 3.44Å; H281-N292 WeakPolarHBondContact CE1-CB 3.34Å; H281-N292 PolarHBondContact CE1-N 3.18Å; H281-N292 VanDerWaalsContact CE1-N 3.28Å; H281-N292 PolarHBondContact NE2-N 2.95Å; H281-L295 HydrophobicContact CB-CD2 3.41Å; H281-L295 VanDerWaalsContact CB-CD2 3.41Å
282L98.7Very high98.1Very high1 Ų148.9 Ų48.91%0.00529%0.285CS..Hα-helixtrans-63.6-32.5-176.9-64.3-179.2000112.9I218 W219 F222 I278 L279 A284 L285I218-L282 HydrophobicContact CB-CD2 4Å; I218-L282 HydrophobicContact CG2-CD2 3.55Å; W219-L282 HydrophobicContact CD2-CB 3.97Å; W219-L282 HydrophobicContact CD2-CD1 4.08Å; W219-L282 HydrophobicContact CE3-CB 4.18Å; W219-L282 HydrophobicContact CE3-CD1 3.84Å; W219-L282 HydrophobicContact CH2-CB 3.72Å; W219-L282 HydrophobicContact CZ2-CB 3.46Å; W219-L282 VanDerWaalsContact CZ2-CB 3.46Å; W219-L282 WeakPolarHBondContact CZ2-O 3.37Å; W219-L282 HydrophobicContact CZ3-CB 4.06Å; W219-L282 HydrophobicContact CZ3-CD1 4.12Å; W219-L282 PolarHBondContact NE1-O 2.9Å; F222-L282 HydrophobicContact CB-CD1 3.67Å; F222-L282 HydrophobicContact CD1-CD1 3.73Å; F222-L282 HydrophobicContact CG-CD1 3.89Å; I278-L282 HydrophobicContact CG2-CD1 4.06Å; I278-L282 HydrophobicContact CG2-CG 4.32Å; I278-L282 WeakPolarHBondContact O-CG 3.43Å; I278-L282 PolarHBondContact O-N 2.9Å; L279-L282 PolarHBondContact O-N 3.43Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-A284 PolarHBondContact O-N 2.86Å; L282-L285 HydrophobicContact CD2-CD1 3.86Å; L282-L285 PolarHBondContact O-N 3.25Å
283K98.1Very high98.2Very high90 Ų9048.7 Ų48.739%0.39128%0.282SS..Hα-helixtrans-67-26.7174.5-72.9179.367.6165.40113.4W219 I261 L279 H281W219-K283 HydrophobicContact CH2-CG 3.92Å; W219-K283 HydrophobicContact CZ2-CG 4.1Å; I261-K283 HydrophobicContact CG2-CD 3.97Å; I261-K283 HydrophobicContact CG2-CG 3.94Å; I261-K283 PolarHBondContact O-NZ 3.3Å; L279-K283 HydrophobicContact CD1-CD 4.1Å; L279-K283 HydrophobicContact CD1-CG 4.21Å; L279-K283 HydrophobicContact CG-CD 4.1Å; L279-K283 WeakPolarHBondContact O-CG 3.37Å; L279-K283 PolarHBondContact O-N 3.34Å; H281-K283 VanDerWaalsContact C-N 3.26Å; H281-K283 PolarHBondContact O-N 3.29Å
284A98.2Very high98.2Very high73 Ų7349.7 Ų49.760%0.60328%0.279SS*.Hα-helixtrans-84.2-15-179.800000113.4S280 H281 L282S280-A284 PolarHBondContact O-N 3.46Å; H281-A284 WeakPolarHBondContact O-CB 3.29Å; H281-A284 PolarHBondContact O-N 2.94Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-A284 PolarHBondContact O-N 2.86Å
285L98.4Very high98.2Very high24 Ų2450.7 Ų50.713%0.12629%0.285CS..  trans-73.8134.7-176.8-67.8175.5000112.7K215 H281 L282 D289 P291K215-L285 HydrophobicContact CB-CB 3.94Å; K215-L285 HydrophobicContact CB-CD1 3.83Å; K215-L285 HydrophobicContact CD-CB 4.25Å; H281-L285 PolarHBondContact O-N 2.94Å; L282-L285 HydrophobicContact CD2-CD1 3.86Å; L282-L285 PolarHBondContact O-N 3.25Å; L285-D289 HydrophobicContact CD2-CB 3.64Å; L285-P291 HydrophobicContact CD1-CB 4.21Å; L285-P291 HydrophobicContact CD1-CG 4.28Å
286T97.7Very high98.2Very high76 Ų7650.6 Ų50.647%0.46629%0.285SS..  trans-102.4177.3169.975.10000111.2K215 S288 D289K215-T286 WeakPolarHBondContact CD-O 3.38Å; T286-S288 VanDerWaalsContact C-N 3.27Å; T286-S288 PolarHBondContact O-N 2.97Å; T286-D289 WeakPolarHBondContact CA-OD2 3.35Å; T286-D289 VanDerWaalsContact CB-OD2 3.31Å; T286-D289 WeakPolarHBondContact CB-OD2 3.32Å; T286-D289 WeakPolarHBondContact CG2-OD2 3.36Å; T286-D289 PolarHBondContact N-OD2 3.42Å; T286-D289 PolarHBondContact O-N 3.37Å; T286-D289 VanDerWaalsContact OG1-CG 3.22Å; T286-D289 PolarHBondContact OG1-OD2 3.09Å
287Y97.4Very high98.3Very high32 Ų3249.5 Ų49.513%0.12527%0.272CS..THydrogen-bonded Turntrans-57.8-36.1-179.7177.4-89.8000113.8Q186 R187 P189 D211 A213Q186-Y287 HydrophobicContact CG-CE1 4.24Å; Q186-Y287 PolarHBondContact NE2-O 2.81Å; R187-Y287 VanDerWaalsContact O-CE1 3.27Å; R187-Y287 WeakPolarHBondContact O-CE1 3.46Å; R187-Y287 PolarHBondContact O-OH 3.28Å; P189-Y287 HydrophobicContact CB-CD1 4.26Å; P189-Y287 HydrophobicContact CB-CD2 4.03Å; P189-Y287 HydrophobicContact CB-CE1 4.03Å; P189-Y287 HydrophobicContact CB-CE2 3.8Å; P189-Y287 HydrophobicContact CB-CG 4.27Å; P189-Y287 HydrophobicContact CG-CD1 4.25Å; P189-Y287 HydrophobicContact CG-CE1 4.22Å; D211-Y287 HydrophobicContact CB-CE2 3.96Å; D211-Y287 WeakPolarHBondContact O-CD2 3.27Å; D211-Y287 WeakPolarHBondContact O-CE2 3.45Å; A213-Y287 HydrophobicContact CB-CD2 3.68Å; A213-Y287 HydrophobicContact CB-CE2 3.84Å; A213-Y287 HydrophobicContact CB-CG 4.2Å; A213-Y287 VanDerWaalsContact CB-O 3.24Å; A213-Y287 WeakPolarHBondContact CB-O 3.41Å
288S96.6Very high98.3Very high85 Ų8551.5 Ų51.559%0.59428%0.28SS*.THydrogen-bonded Turntrans-90.8-4.9-173.7-57.10000113.4T286T286-S288 VanDerWaalsContact C-N 3.27Å; T286-S288 PolarHBondContact O-N 2.97Å
289D97.3Very high98.3Very high61 Ų6153.3 Ų53.333%0.32629%0.288SS..PPolyproline II helixtrans-80.1141.1-174.2-66.4-37.3000111.9L285 T286 P291L285-D289 HydrophobicContact CD2-CB 3.64Å; T286-D289 WeakPolarHBondContact CA-OD2 3.35Å; T286-D289 VanDerWaalsContact CB-OD2 3.31Å; T286-D289 WeakPolarHBondContact CB-OD2 3.32Å; T286-D289 WeakPolarHBondContact CG2-OD2 3.36Å; T286-D289 PolarHBondContact N-OD2 3.42Å; T286-D289 PolarHBondContact O-N 3.37Å; T286-D289 VanDerWaalsContact OG1-CG 3.22Å; T286-D289 PolarHBondContact OG1-OD2 3.09Å; D289-P291 WeakPolarHBondContact O-CD 3.28Å
290K97Very high98.3Very high173 Ų17353.4 Ų53.475%0.75229%0.289SS*.PPolyproline II helixtrans-80.9122.8165.5-176.7-177.7174.8-174.40108.5Y293K290-Y293 HydrophobicContact CG-CE2 4.38Å
291P98.5Very high98.2Very high5 Ų551.9 Ų51.93%0.03228%0.278CS..PPolyproline II helixtrans-57145.5174-24.533.6000112.2P214 I218 L285 D289 Y293P214-P291 HydrophobicContact CB-CG 3.88Å; I218-P291 HydrophobicContact CG1-CB 3.81Å; I218-P291 HydrophobicContact CG1-CG 3.71Å; L285-P291 HydrophobicContact CD1-CB 4.21Å; L285-P291 HydrophobicContact CD1-CG 4.28Å; D289-P291 WeakPolarHBondContact O-CD 3.28Å; P291-Y293 HydrophobicContact CB-CE1 4.3Å; P291-Y293 HydrophobicContact CB-CE2 4.11Å; P291-Y293 WeakPolarHBondContact O-CD2 3.32Å; P291-Y293 WeakPolarHBondContact O-CE2 3.37Å; P291-Y293 PolarHBondContact O-N 3.21Å
292N98.6Very high98.2Very high78 Ų7852.3 Ų52.342%0.41729%0.287SS..  trans-8884.2173.6-172.7-11.9000109.3H281 E294 L295H281-N292 VanDerWaalsContact CE1-CB 3.44Å; H281-N292 WeakPolarHBondContact CE1-CB 3.34Å; H281-N292 PolarHBondContact CE1-N 3.18Å; H281-N292 VanDerWaalsContact CE1-N 3.28Å; H281-N292 PolarHBondContact NE2-N 2.95Å; N292-E294 VanDerWaalsContact C-N 3.26Å; N292-E294 PolarHBondContact O-N 2.92Å; N292-E294 PolarHBondContact OD1-N 3.26Å; N292-L295 HydrophobicContact CB-CB 4.17Å; N292-L295 PolarHBondContact O-N 2.98Å; N292-L295 PolarHBondContact OD1-N 3.01Å
293Y98.8Very high98.2Very high11 Ų1152.3 Ų52.34%0.04329%0.287CS..Hα-helixtrans-59.8-38.7177.8-53.6-88.4000111.9L136 E140 H143 I218 K290 P291 L295 C296 Y297L136-Y293 HydrophobicContact CD1-CD1 3.78Å; L136-Y293 HydrophobicContact CD1-CE1 4.26Å; L136-Y293 HydrophobicContact CG-CD1 4.12Å; E140-Y293 HydrophobicContact CB-CD1 3.75Å; E140-Y293 HydrophobicContact CB-CE1 3.89Å; E140-Y293 HydrophobicContact CB-CG 4.11Å; E140-Y293 HydrophobicContact CG-CD1 4.09Å; E140-Y293 HydrophobicContact CG-CD2 4Å; E140-Y293 HydrophobicContact CG-CE1 4.33Å; E140-Y293 HydrophobicContact CG-CE2 4.28Å; E140-Y293 HydrophobicContact CG-CG 3.93Å; H143-Y293 WeakPolarHBondContact CB-OH 3.46Å; H143-Y293 AromaticContact ND1-CE1 3.88Å; H143-Y293 AromaticContact ND1-CZ 3.68Å; H143-Y293 PolarHBondContact ND1-OH 3.38Å; I218-Y293 HydrophobicContact CD1-CD1 4.42Å; I218-Y293 HydrophobicContact CD1-CE1 3.69Å; I218-Y293 HydrophobicContact CG1-CE1 4.28Å; K290-Y293 HydrophobicContact CG-CE2 4.38Å; P291-Y293 HydrophobicContact CB-CE1 4.3Å; P291-Y293 HydrophobicContact CB-CE2 4.11Å; P291-Y293 WeakPolarHBondContact O-CD2 3.32Å; P291-Y293 WeakPolarHBondContact O-CE2 3.37Å; P291-Y293 PolarHBondContact O-N 3.21Å; Y293-L295 VanDerWaalsContact C-N 3.32Å; Y293-L295 PolarHBondContact O-N 3.24Å; Y293-C296 WeakPolarHBondContact O-CA 3.45Å; Y293-C296 WeakPolarHBondContact O-CB 3.45Å; Y293-C296 PolarHBondContact O-N 2.88Å; Y293-Y297 VanDerWaalsContact O-CD2 3.3Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.42Å; Y293-Y297 PolarHBondContact O-N 3.18Å
294E98.7Very high98.2Very high110 Ų11048.9 Ų48.951%0.51427%0.273SS..Hα-helixtrans-59.4-42.1-179.8-172.856.2-148.300111.9N292 C296 Y297 L298N292-E294 VanDerWaalsContact C-N 3.26Å; N292-E294 PolarHBondContact O-N 2.92Å; N292-E294 PolarHBondContact OD1-N 3.26Å; E294-C296 VanDerWaalsContact C-N 3.26Å; E294-C296 PolarHBondContact O-N 3.28Å; E294-Y297 PolarHBondContact O-N 2.66Å; E294-L298 HydrophobicContact CG-CD1 4.15Å; E294-L298 HydrophobicContact CG-CG 4.4Å; E294-L298 WeakPolarHBondContact O-CB 3.45Å; E294-L298 VanDerWaalsContact O-CG 3.26Å; E294-L298 WeakPolarHBondContact O-CG 3.49Å; E294-L298 PolarHBondContact O-N 3.43Å
295L98.8Very high98.2Very high39 Ų3953.6 Ų53.620%0.20428%0.28CS..Hα-helixtrans-55.6-44173.2176.668.2000111.6H281 N292 Y293 L298 Q299H281-L295 HydrophobicContact CB-CD2 3.41Å; H281-L295 VanDerWaalsContact CB-CD2 3.41Å; N292-L295 HydrophobicContact CB-CB 4.17Å; N292-L295 PolarHBondContact O-N 2.98Å; N292-L295 PolarHBondContact OD1-N 3.01Å; Y293-L295 VanDerWaalsContact C-N 3.32Å; Y293-L295 PolarHBondContact O-N 3.24Å; L295-L298 PolarHBondContact O-N 2.71Å; L295-Q299 WeakPolarHBondContact O-CG 3.31Å; L295-Q299 PolarHBondContact O-N 3.38Å; L295-Q299 VanDerWaalsContact O-N 3.07Å
296C98.8Very high98.2Very high1 Ų158.3 Ų58.31%0.00730%0.296CS..Hα-helixtrans-66.7-42.2179.5-58.90000111.3L136 W221 Y293 E294 L298 Q299 M300L136-C296 HydrophobicContact CD2-CB 3.42Å; L136-C296 VanDerWaalsContact CD2-CB 3.42Å; W221-C296 HydrophobicContact CH2-CB 3.97Å; W221-C296 HydrophobicContact CZ3-CB 4.25Å; Y293-C296 WeakPolarHBondContact O-CA 3.45Å; Y293-C296 WeakPolarHBondContact O-CB 3.45Å; Y293-C296 PolarHBondContact O-N 2.88Å; E294-C296 VanDerWaalsContact C-N 3.26Å; E294-C296 PolarHBondContact O-N 3.28Å; C296-L298 VanDerWaalsContact C-N 3.35Å; C296-L298 PolarHBondContact O-N 3.28Å; C296-Q299 PolarHBondContact O-N 3.15Å; C296-M300 WeakPolarHBondContact O-CE 3.46Å; C296-M300 WeakPolarHBondContact O-CG 3.33Å; C296-M300 PolarHBondContact O-N 3.26Å
297Y98.8Very high98.2Very high15 Ų1557.5 Ų57.56%0.05929%0.288CS..Hα-helixtrans-61.7-41.1175-59.2-42.9000112.2R133 L136 E137 E140 Y293 E294 M300 S301R133-Y297 HydrophobicContact CG-CD1 4.32Å; R133-Y297 HydrophobicContact CG-CE1 4.44Å; L136-Y297 HydrophobicContact CB-CE1 3.94Å; L136-Y297 HydrophobicContact CD2-CD1 3.94Å; L136-Y297 HydrophobicContact CD2-CE1 3.51Å; L136-Y297 HydrophobicContact CG-CE1 3.76Å; E137-Y297 VanDerWaalsContact CA-OH 3.31Å; E137-Y297 WeakPolarHBondContact CA-OH 3.41Å; E137-Y297 HydrophobicContact CG-CE1 3.82Å; E137-Y297 WeakPolarHBondContact CG-OH 3.37Å; E137-Y297 PolarHBondContact N-OH 3.38Å; E140-Y297 PolarHBondContact OE2-OH 3.07Å; Y293-Y297 VanDerWaalsContact O-CD2 3.3Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.42Å; Y293-Y297 PolarHBondContact O-N 3.18Å; E294-Y297 PolarHBondContact O-N 2.66Å; Y297-M300 HydrophobicContact CD1-CE 3.63Å; Y297-M300 HydrophobicContact CE1-CE 4.27Å; Y297-M300 PolarHBondContact O-N 3.35Å; Y297-S301 WeakPolarHBondContact O-CB 3.44Å; Y297-S301 PolarHBondContact O-N 3.25Å; Y297-S301 PolarHBondContact O-OG 2.7Å
298L98.7Very high98.2Very high91 Ų9162.8 Ų62.848%0.47632%0.319SS..Hα-helixtrans-61.7-43.5176.1-73.3168.9000111.7E294 L295 C296 S301 A302E294-L298 HydrophobicContact CG-CD1 4.15Å; E294-L298 HydrophobicContact CG-CG 4.4Å; E294-L298 WeakPolarHBondContact O-CB 3.45Å; E294-L298 VanDerWaalsContact O-CG 3.26Å; E294-L298 WeakPolarHBondContact O-CG 3.49Å; E294-L298 PolarHBondContact O-N 3.43Å; L295-L298 PolarHBondContact O-N 2.71Å; C296-L298 VanDerWaalsContact C-N 3.35Å; C296-L298 PolarHBondContact O-N 3.28Å; L298-S301 PolarHBondContact O-N 2.96Å; L298-A302 WeakPolarHBondContact O-CB 3.36Å; L298-A302 PolarHBondContact O-N 3.03Å
299Q98.7Very high98.3Very high37 Ų3761.7 Ų61.717%0.17330%0.302CS..Hα-helixtrans-65.9-41.4177.3-68.5-40.5-58.400112.5E274 P277 I278 L295 C296 S301 A302 L303E274-Q299 HydrophobicContact CB-CB 4.08Å; E274-Q299 WeakPolarHBondContact CB-O 3.26Å; E274-Q299 WeakPolarHBondContact O-CB 3.44Å; E274-Q299 VanDerWaalsContact O-CG 3.29Å; E274-Q299 WeakPolarHBondContact O-CG 3.44Å; E274-Q299 PolarHBondContact O-OE1 3.42Å; P277-Q299 HydrophobicContact CB-CG 4.05Å; P277-Q299 HydrophobicContact CG-CG 4.4Å; I278-Q299 HydrophobicContact CD1-CB 3.93Å; I278-Q299 HydrophobicContact CD1-CG 4.41Å; I278-Q299 HydrophobicContact CG1-CB 4.01Å; I278-Q299 HydrophobicContact CG1-CG 3.92Å; L295-Q299 WeakPolarHBondContact O-CG 3.31Å; L295-Q299 PolarHBondContact O-N 3.38Å; L295-Q299 VanDerWaalsContact O-N 3.07Å; C296-Q299 PolarHBondContact O-N 3.15Å; Q299-S301 VanDerWaalsContact C-N 3.34Å; Q299-S301 PolarHBondContact O-N 3.3Å; Q299-A302 PolarHBondContact O-N 3.36Å; Q299-L303 PolarHBondContact O-N 3.37Å; Q299-L303 VanDerWaalsContact O-N 3.08Å
300M98.5Very high98.3Very high5 Ų562.4 Ų62.43%0.02531%0.309CS..Hα-helixtrans-64.1-40.1174.4-69.5-176.4-74.600111.8M129 R133 L136 W221 C296 Y297 L303 M304M129-M300 HydrophobicContact SD-CB 3.88Å; M129-M300 HydrophobicContact SD-CG 3.79Å; R133-M300 HydrophobicContact CB-CE 4.22Å; R133-M300 HydrophobicContact CB-SD 4.26Å; L136-M300 HydrophobicContact CD2-CE 4.01Å; W221-M300 HydrophobicContact CH2-CE 4.26Å; W221-M300 HydrophobicContact CH2-SD 4.36Å; W221-M300 HydrophobicContact CZ2-CE 3.96Å; W221-M300 HydrophobicContact CZ2-SD 3.91Å; C296-M300 WeakPolarHBondContact O-CE 3.46Å; C296-M300 WeakPolarHBondContact O-CG 3.33Å; C296-M300 PolarHBondContact O-N 3.26Å; Y297-M300 HydrophobicContact CD1-CE 3.63Å; Y297-M300 HydrophobicContact CE1-CE 4.27Å; Y297-M300 PolarHBondContact O-N 3.35Å; M300-L303 PolarHBondContact O-N 2.96Å; M300-M304 WeakPolarHBondContact O-CG 3.38Å; M300-M304 PolarHBondContact O-N 3.19Å
301S98.2Very high98.2Very high51 Ų5158.6 Ų58.636%0.35729%0.294SS..Hα-helixtrans-66.7-38.7177-57.20000112.2Y297 L298 Q299 M304 K305Y297-S301 WeakPolarHBondContact O-CB 3.44Å; Y297-S301 PolarHBondContact O-N 3.25Å; Y297-S301 PolarHBondContact O-OG 2.7Å; L298-S301 PolarHBondContact O-N 2.96Å; Q299-S301 VanDerWaalsContact C-N 3.34Å; Q299-S301 PolarHBondContact O-N 3.3Å; S301-M304 PolarHBondContact O-N 2.98Å; S301-K305 WeakPolarHBondContact O-CB 3.37Å; S301-K305 PolarHBondContact O-N 3.38Å
302A98.6Very high98.1Very high40 Ų4065.7 Ų65.733%0.33133%0.326SS..Hα-helixtrans-62.4-42.4174.700000111.6E274 L298 Q299 K305 R306E274-A302 HydrophobicContact CG-CB 4.03Å; L298-A302 WeakPolarHBondContact O-CB 3.36Å; L298-A302 PolarHBondContact O-N 3.03Å; Q299-A302 PolarHBondContact O-N 3.36Å; A302-K305 PolarHBondContact O-N 2.81Å; A302-R306 WeakPolarHBondContact O-CB 3.49Å; A302-R306 PolarHBondContact O-N 3.45Å
303L98.5Very high98.1Very high1 Ų163.8 Ų63.81%0.00532%0.318CS..Hα-helixtrans-62.5-46.2174.7-173160.4000111.3M129 P272 E274 Y275 Q299 M300 K305 R306 N307M129-L303 HydrophobicContact CE-CD1 4.01Å; M129-L303 HydrophobicContact CG-CD2 3.69Å; M129-L303 HydrophobicContact SD-CB 4.25Å; M129-L303 HydrophobicContact SD-CD1 3.84Å; M129-L303 HydrophobicContact SD-CD2 3.97Å; M129-L303 HydrophobicContact SD-CG 4.25Å; P272-L303 HydrophobicContact CB-CD1 3.43Å; P272-L303 VanDerWaalsContact CB-CD1 3.43Å; P272-L303 HydrophobicContact CB-CG 4.41Å; P272-L303 HydrophobicContact CG-CD1 3.55Å; E274-L303 HydrophobicContact CB-CB 4.42Å; E274-L303 HydrophobicContact CG-CB 4.04Å; Y275-L303 HydrophobicContact CE1-CD1 4.32Å; Q299-L303 PolarHBondContact O-N 3.37Å; Q299-L303 VanDerWaalsContact O-N 3.08Å; M300-L303 PolarHBondContact O-N 2.96Å; L303-K305 VanDerWaalsContact C-N 3.34Å; L303-K305 PolarHBondContact O-N 3.43Å; L303-R306 PolarHBondContact O-N 3.36Å; L303-N307 PolarHBondContact O-N 2.85Å; L303-N307 VanDerWaalsContact O-N 3.17Å; L303-N307 PolarHBondContact O-ND2 3.5Å
304M98.3Very high98Very high18 Ų1864.6 Ų64.69%0.08933%0.327CS..Hα-helixtrans-57.6-47.6176.1-75.2-176.560.500111.4M129 M300 S301 R306 N307 N308 Y309M129-M304 HydrophobicContact CB-CG 4.01Å; M129-M304 HydrophobicContact CB-SD 4.2Å; M129-M304 HydrophobicContact CG-CG 4.02Å; M300-M304 WeakPolarHBondContact O-CG 3.38Å; M300-M304 PolarHBondContact O-N 3.19Å; S301-M304 PolarHBondContact O-N 2.98Å; M304-R306 PolarHBondContact O-N 3.41Å; M304-N307 CarbonylContact O-C 3.24Å; M304-N307 PolarHBondContact O-N 2.91Å; M304-N308 PolarHBondContact O-N 3.45Å; M304-N308 VanDerWaalsContact O-N 3.1Å; M304-Y309 PolarHBondContact O-N 2.97Å
305K98.1Very high98Very high172 Ų17259.4 Ų59.475%0.74830%0.302SS*.Hα-helixtrans-60.5-45.3177.7-175.8177.5179.3178.80112.1S301 A302 L303 N307 N308S301-K305 WeakPolarHBondContact O-CB 3.37Å; S301-K305 PolarHBondContact O-N 3.38Å; A302-K305 PolarHBondContact O-N 2.81Å; L303-K305 VanDerWaalsContact C-N 3.34Å; L303-K305 PolarHBondContact O-N 3.43Å; K305-N307 PolarHBondContact O-N 3.36Å; K305-N308 PolarHBondContact O-N 3.29Å; K305-N308 VanDerWaalsContact O-N 3.11Å
306R98.2Very high98Very high123 Ų12357.7 Ų57.746%0.46429%0.293SS..Hα-helixtrans-60.1-31.6179.3-179.1169.358.178.8-1.6112.7E274 A302 L303 M304E274-R306 IonicContact OE1-CZ 3.41Å; E274-R306 IonicContact OE1-NE 2.71Å; E274-R306 PolarHBondContact OE1-NE 3.04Å; E274-R306 IonicContact OE1-NH2 3.24Å; E274-R306 PolarHBondContact OE1-NH2 3.47Å; E274-R306 IonicContact OE2-CZ 3.71Å; E274-R306 IonicContact OE2-NE 3.76Å; E274-R306 IonicContact OE2-NH2 2.82Å; E274-R306 PolarHBondContact OE2-NH2 3.03Å; A302-R306 WeakPolarHBondContact O-CB 3.49Å; A302-R306 PolarHBondContact O-N 3.45Å; L303-R306 PolarHBondContact O-N 3.36Å; M304-R306 PolarHBondContact O-N 3.41Å
307N97.7Very high97.8Very high59 Ų5958.7 Ų58.732%0.31630%0.297SS..THydrogen-bonded Turntrans-100.310.9179.8-63.1-78.7000113.3L303 M304 K305 Y309L303-N307 PolarHBondContact O-N 2.85Å; L303-N307 VanDerWaalsContact O-N 3.17Å; L303-N307 PolarHBondContact O-ND2 3.5Å; M304-N307 CarbonylContact O-C 3.24Å; M304-N307 PolarHBondContact O-N 2.91Å; K305-N307 PolarHBondContact O-N 3.36Å; N307-Y309 HydrophobicContact CB-CD2 3.64Å; N307-Y309 HydrophobicContact CB-CE2 3.47Å; N307-Y309 VanDerWaalsContact CB-CE2 3.47Å; N307-Y309 HydrophobicContact CB-CG 4.29Å; N307-Y309 PolarHBondContact O-N 3.29Å
308N97.9Very high97.7Very high143 Ų14358.9 Ų58.977%0.76530%0.299SS*.THydrogen-bonded Turntrans55.532.7-178.5-56.8-54000114.3M304 K305M304-N308 PolarHBondContact O-N 3.45Å; M304-N308 VanDerWaalsContact O-N 3.1Å; K305-N308 PolarHBondContact O-N 3.29Å; K305-N308 VanDerWaalsContact O-N 3.11Å
309Y98.2Very high97.6Very high62 Ų6265.2 Ų65.224%0.24332%0.316CS..  trans-83.7139.8174.4-67.9-38.4000111.5Q125 R126 M304 N307 T313Q125-Y309 HydrophobicContact CB-CE2 3.75Å; R126-Y309 HydrophobicContact CB-CD1 3.93Å; R126-Y309 HydrophobicContact CB-CD2 4.01Å; R126-Y309 HydrophobicContact CB-CE1 3.96Å; R126-Y309 HydrophobicContact CB-CE2 4.07Å; R126-Y309 HydrophobicContact CB-CG 3.95Å; R126-Y309 HydrophobicContact CG-CD1 4.5Å; M304-Y309 PolarHBondContact O-N 2.97Å; N307-Y309 HydrophobicContact CB-CD2 3.64Å; N307-Y309 HydrophobicContact CB-CE2 3.47Å; N307-Y309 VanDerWaalsContact CB-CE2 3.47Å; N307-Y309 HydrophobicContact CB-CG 4.29Å; N307-Y309 PolarHBondContact O-N 3.29Å; Y309-T313 HydrophobicContact CD1-CG2 3.8Å; Y309-T313 HydrophobicContact CE1-CG2 4.3Å
310T97Very high97.4Very high76 Ų7667 Ų6747%0.46635%0.345SS..  trans-122.4170.4175.665.40000110.5R126 E312 T313R126-T310 PolarHBondContact NE-O 3.42Å; R126-T310 PolarHBondContact NH2-O 3.42Å; T310-E312 PolarHBondContact O-N 3.24Å; T310-E312 PolarHBondContact OG1-N 2.92Å; T310-T313 PolarHBondContact N-OG1 3.02Å; T310-T313 WeakPolarHBondContact O-CB 3.48Å; T310-T313 PolarHBondContact O-N 3.04Å; T310-T313 VanDerWaalsContact O-N 3.09Å; T310-T313 PolarHBondContact O-OG1 3.32Å; T310-T313 PolarHBondContact OG1-N 3.45Å; T310-T313 PolarHBondContact OG1-OG1 3.07Å
311E94.8Very high97.3Very high93 Ų9367.3 Ų67.344%0.43535%0.349SS..THydrogen-bonded Turntrans-58.6-34.1173-69.4-55.3151.500112R126 R166 T313R126-E311 PolarHBondContact NH2-O 3.49Å; R126-E311 IonicContact NH2-OE2 2.66Å; R126-E311 PolarHBondContact NH2-OE2 3.08Å; R166-E311 PolarHBondContact NH1-O 3.35Å; E311-T313 VanDerWaalsContact C-N 3.29Å; E311-T313 PolarHBondContact O-N 3.39Å
312E96.1Very high97.2Very high154 Ų15470.9 Ų70.972%0.7236%0.36SS*.THydrogen-bonded Turntrans-73.4-16.5177.9-57.9-51144.500114.4T310 A314T310-E312 PolarHBondContact O-N 3.24Å; T310-E312 PolarHBondContact OG1-N 2.92Å; E312-A314 PolarHBondContact O-N 3.36Å
313T97.9Very high97.1Very high39 Ų3969.6 Ų69.624%0.23935%0.347CS..SBendtrans-60.7124.3178-54.30000109.9R126 Y309 T310 E311 L315R126-T313 HydrophobicContact CB-CG2 4.3Å; R126-T313 HydrophobicContact CG-CG2 3.79Å; R126-T313 PolarHBondContact NE-O 3.34Å; Y309-T313 HydrophobicContact CD1-CG2 3.8Å; Y309-T313 HydrophobicContact CE1-CG2 4.3Å; T310-T313 PolarHBondContact N-OG1 3.02Å; T310-T313 WeakPolarHBondContact O-CB 3.48Å; T310-T313 PolarHBondContact O-N 3.04Å; T310-T313 VanDerWaalsContact O-N 3.09Å; T310-T313 PolarHBondContact O-OG1 3.32Å; T310-T313 PolarHBondContact OG1-N 3.45Å; T310-T313 PolarHBondContact OG1-OG1 3.07Å; E311-T313 VanDerWaalsContact C-N 3.29Å; E311-T313 PolarHBondContact O-N 3.39Å; T313-L315 PolarHBondContact O-N 2.99Å
314A98Very high97Very high28 Ų2872.2 Ų72.223%0.23136%0.359CS..PPolyproline II helixtrans-57.3130.4-176.600000112.2E312 E318E312-A314 PolarHBondContact O-N 3.36Å; A314-E318 HydrophobicContact CB-CB 4.17Å
315L98.2Very high96.8Very high0 Ų076.2 Ų76.20%039%0.385CS..PPolyproline II helixtrans-75.9163.9171.8-56.8175.8000110.4R126 S127 H130 R166 T313 W317 E318 G321R126-L315 HydrophobicContact CG-CD2 4.11Å; S127-L315 WeakPolarHBondContact OG-CA 3.26Å; H130-L315 HydrophobicContact CB-CD2 3.64Å; R166-L315 HydrophobicContact CB-CD1 4.27Å; R166-L315 HydrophobicContact CG-CD1 3.81Å; T313-L315 PolarHBondContact O-N 2.99Å; L315-W317 HydrophobicContact CB-CD2 4.11Å; L315-W317 HydrophobicContact CB-CE3 4.3Å; L315-W317 HydrophobicContact CB-CH2 4.08Å; L315-W317 HydrophobicContact CB-CZ2 3.94Å; L315-W317 HydrophobicContact CB-CZ3 4.28Å; L315-W317 HydrophobicContact CD1-CH2 3.9Å; L315-W317 HydrophobicContact CD1-CZ2 3.33Å; L315-W317 HydrophobicContact CG-CH2 4.44Å; L315-W317 HydrophobicContact CG-CZ2 4.2Å; L315-W317 PolarHBondContact O-N 3.26Å; L315-E318 HydrophobicContact CB-CG 4.23Å; L315-E318 WeakPolarHBondContact CB-OE2 3.29Å; L315-E318 VanDerWaalsContact CG-OE2 3.3Å; L315-E318 WeakPolarHBondContact CG-OE2 3.42Å; L315-E318 PolarHBondContact N-OE2 3.11Å; L315-E318 WeakPolarHBondContact O-CB 3.36Å; L315-E318 PolarHBondContact O-N 3.15Å; L315-G321 VanDerWaalsContact O-CA 3.29Å; L315-G321 WeakPolarHBondContact O-CA 3.35Å
316D98.1Very high96.7Very high3 Ų368.5 Ų68.52%0.01635%0.353CS..THydrogen-bonded Turntrans-60.4-21.7-171.8-79.414.3000113F123 G124 S127 H323 H324 T327F123-D316 WeakPolarHBondContact CA-OD2 3.45Å; F123-D316 VanDerWaalsContact CB-OD2 3.29Å; F123-D316 WeakPolarHBondContact CB-OD2 3.47Å; F123-D316 HydrophobicContact CD1-CB 4.23Å; F123-D316 WeakPolarHBondContact CD1-OD2 3.43Å; G124-D316 PolarHBondContact N-OD1 2.88Å; G124-D316 PolarHBondContact N-OD2 3.04Å; S127-D316 WeakPolarHBondContact CB-OD1 3.32Å; S127-D316 WeakPolarHBondContact OG-CB 3.36Å; S127-D316 PolarHBondContact OG-N 3.36Å; S127-D316 PolarHBondContact OG-OD1 3.46Å; D316-H323 HydrophobicContact CB-CB 4.2Å; D316-H323 CarbonylContact O-C 3.49Å; D316-H323 IonicContact OD2-CD2 2.83Å; D316-H323 PolarHBondContact OD2-CD2 3Å; D316-H323 VanDerWaalsContact OD2-CD2 3.28Å; D316-H323 IonicContact OD2-CG 3.19Å; D316-H324 WeakPolarHBondContact O-CA 3.36Å; D316-H324 PolarHBondContact O-N 3.33Å; D316-T327 VanDerWaalsContact C-OG1 3.3Å; D316-T327 HydrophobicContact CB-CG2 3.91Å; D316-T327 PolarHBondContact O-OG1 3.01Å
317W96.4Very high96.5Very high23 Ų2362.9 Ų62.99%0.08733%0.332CS..THydrogen-bonded Turntrans-100-0.9177.653.195.1000113.8M108 F123 L131 I159 Y165 L315 H324 T327M108-W317 HydrophobicContact CE-CZ3 4.43Å; M108-W317 HydrophobicContact SD-CD2 4.34Å; M108-W317 HydrophobicContact SD-CE3 3.85Å; M108-W317 HydrophobicContact SD-CZ3 4.32Å; F123-W317 HydrophobicContact CD1-CZ3 4.5Å; F123-W317 HydrophobicContact CE1-CZ3 4.44Å; L131-W317 HydrophobicContact CD1-CH2 4.28Å; L131-W317 HydrophobicContact CD1-CZ3 4.17Å; L131-W317 HydrophobicContact CD2-CH2 3.46Å; L131-W317 VanDerWaalsContact CD2-CH2 3.46Å; L131-W317 HydrophobicContact CD2-CZ2 4.27Å; L131-W317 HydrophobicContact CD2-CZ3 4.16Å; L131-W317 HydrophobicContact CG-CH2 3.91Å; L131-W317 HydrophobicContact CG-CZ3 4.28Å; I159-W317 HydrophobicContact CD1-CD2 3.97Å; I159-W317 HydrophobicContact CD1-CG 3.84Å; I159-W317 HydrophobicContact CG2-CH2 4.03Å; I159-W317 HydrophobicContact CG2-CZ2 3.69Å; Y165-W317 AromaticContact CD2-CD1 3.95Å; Y165-W317 AromaticContact CD2-NE1 3.8Å; Y165-W317 PolarHBondContact O-NE1 2.91Å; L315-W317 HydrophobicContact CB-CD2 4.11Å; L315-W317 HydrophobicContact CB-CE3 4.3Å; L315-W317 HydrophobicContact CB-CH2 4.08Å; L315-W317 HydrophobicContact CB-CZ2 3.94Å; L315-W317 HydrophobicContact CB-CZ3 4.28Å; L315-W317 HydrophobicContact CD1-CH2 3.9Å; L315-W317 HydrophobicContact CD1-CZ2 3.33Å; L315-W317 HydrophobicContact CG-CH2 4.44Å; L315-W317 HydrophobicContact CG-CZ2 4.2Å; L315-W317 PolarHBondContact O-N 3.26Å; W317-H324 PolarHBondContact O-ND1 3.3Å; W317-T327 VanDerWaalsContact CA-OG1 3.31Å; W317-T327 WeakPolarHBondContact CA-OG1 3.35Å
318E96.6Very high96.2Very high18 Ų1863.2 Ų63.28%0.08434%0.339CS..SBendtrans-94.9157.2176.1-65.5-178.5106.300112Y165 R166 A314 L315 G320 G321 H324Y165-E318 HydrophobicContact CD2-CG 4.12Å; Y165-E318 VanDerWaalsContact CE2-CD 3.45Å; Y165-E318 HydrophobicContact CE2-CG 3.42Å; Y165-E318 VanDerWaalsContact CE2-CG 3.42Å; Y165-E318 WeakPolarHBondContact CE2-OE1 3.38Å; Y165-E318 VanDerWaalsContact CZ-OE1 3.3Å; Y165-E318 PolarHBondContact OH-OE1 3.17Å; R166-E318 IonicContact CZ-OE1 3.41Å; R166-E318 VanDerWaalsContact CZ-OE1 3.27Å; R166-E318 IonicContact CZ-OE2 3.97Å; R166-E318 VanDerWaalsContact NE-CD 3.32Å; R166-E318 IonicContact NE-OE1 2.88Å; R166-E318 PolarHBondContact NE-OE1 2.92Å; R166-E318 IonicContact NE-OE2 3.91Å; R166-E318 PolarHBondContact NE-OE2 2.9Å; R166-E318 VanDerWaalsContact NH2-CD 3.27Å; R166-E318 IonicContact NH2-OE1 3.08Å; R166-E318 PolarHBondContact NH2-OE1 3.25Å; R166-E318 IonicContact NH2-OE2 3.96Å; R166-E318 PolarHBondContact NH2-OE2 3.1Å; A314-E318 HydrophobicContact CB-CB 4.17Å; L315-E318 HydrophobicContact CB-CG 4.23Å; L315-E318 WeakPolarHBondContact CB-OE2 3.29Å; L315-E318 VanDerWaalsContact CG-OE2 3.3Å; L315-E318 WeakPolarHBondContact CG-OE2 3.42Å; L315-E318 PolarHBondContact N-OE2 3.11Å; L315-E318 WeakPolarHBondContact O-CB 3.36Å; L315-E318 PolarHBondContact O-N 3.15Å; E318-G320 PolarHBondContact O-N 2.99Å; E318-G321 PolarHBondContact O-N 3.32Å; E318-H324 VanDerWaalsContact O-CB 3.26Å; E318-H324 WeakPolarHBondContact O-CB 3.31Å; E318-H324 PolarHBondContact O-ND1 2.83Å
319R95.1Very high96Very high224 Ų22464.1 Ų64.185%0.84534%0.336SS*.THydrogen-bonded Turntrans-58.4131.3172.1-67.4-172-157.8-168.27109.6G321R319-G321 VanDerWaalsContact C-N 3.28Å
320G94.9Very high95.7Very high76 Ų7661.7 Ų61.778%0.78433%0.329SS*.THydrogen-bonded Turntrans85.7-7.7-175.400000114.6E318E318-G320 PolarHBondContact O-N 2.99Å
321G96.8Very high95.5Very high10 Ų1062.1 Ų62.110%0.10333%0.333CS..  trans-66.6148.3172.200000112.8L315 E318 R319 H323 H324L315-G321 VanDerWaalsContact O-CA 3.29Å; L315-G321 WeakPolarHBondContact O-CA 3.35Å; E318-G321 PolarHBondContact O-N 3.32Å; R319-G321 VanDerWaalsContact C-N 3.28Å; G321-H323 PolarHBondContact O-N 3.24Å; G321-H324 WeakPolarHBondContact O-CB 3.25Å; G321-H324 PolarHBondContact O-N 2.9Å; G321-H324 VanDerWaalsContact O-N 3.16Å
322E96.3Very high95.2Very high126 Ų12660.1 Ų60.159%0.58933%0.332SS*.THydrogen-bonded Turntrans-53.4-34.2-174-167-176.4150.700113.1G124G124-E322 VanDerWaalsContact CA-OE2 3.29Å; G124-E322 WeakPolarHBondContact CA-OE2 3.31Å
323H96.1Very high94.8Very high14 Ų1453.3 Ų53.37%0.06530%0.3CS..THydrogen-bonded Turntrans-121.320.6-176.4-57.5-27.3000114.5L112 F116 D316 G321 V325 A326 T327L112-H323 HydrophobicContact CD2-CB 3.5Å; F116-H323 AromaticContact CE2-NE2 3.86Å; F116-H323 AromaticContact CZ-CE1 3.96Å; F116-H323 AromaticContact CZ-NE2 3.56Å; D316-H323 HydrophobicContact CB-CB 4.2Å; D316-H323 CarbonylContact O-C 3.49Å; D316-H323 IonicContact OD2-CD2 2.83Å; D316-H323 PolarHBondContact OD2-CD2 3Å; D316-H323 VanDerWaalsContact OD2-CD2 3.28Å; D316-H323 IonicContact OD2-CG 3.19Å; G321-H323 PolarHBondContact O-N 3.24Å; H323-V325 VanDerWaalsContact C-N 3.35Å; H323-V325 PolarHBondContact O-N 3.19Å; H323-V325 VanDerWaalsContact O-N 3.15Å; H323-A326 PolarHBondContact O-N 3.48Å; H323-T327 HydrophobicContact CB-CG2 4.11Å; H323-T327 PolarHBondContact O-N 3.45Å; H323-T327 PolarHBondContact O-OG1 3.5Å; H323-T327 VanDerWaalsContact O-OG1 3.08Å
324H96Very high94.3Very high56 Ų5654.2 Ų54.226%0.25930%0.304SS..Hα-helixtrans-45.6-51.1-172.517953.4000114.6D316 W317 E318 G321 A326 T327 S328D316-H324 WeakPolarHBondContact O-CA 3.36Å; D316-H324 PolarHBondContact O-N 3.33Å; W317-H324 PolarHBondContact O-ND1 3.3Å; E318-H324 VanDerWaalsContact O-CB 3.26Å; E318-H324 WeakPolarHBondContact O-CB 3.31Å; E318-H324 PolarHBondContact O-ND1 2.83Å; G321-H324 WeakPolarHBondContact O-CB 3.25Å; G321-H324 PolarHBondContact O-N 2.9Å; G321-H324 VanDerWaalsContact O-N 3.16Å; H324-A326 PolarHBondContact O-N 2.98Å; H324-T327 PolarHBondContact O-OG1 3.38Å; H324-S328 PolarHBondContact CE1-OG 2.86Å; H324-S328 PolarHBondContact ND1-OG 3.4Å; H324-S328 VanDerWaalsContact ND1-OG 3.08Å; H324-S328 WeakPolarHBondContact O-CB 3.43Å; H324-S328 PolarHBondContact O-N 2.87Å; H324-S328 PolarHBondContact O-OG 3.43Å
325V95Very high93.7Very high102 Ų10253.6 Ų53.662%0.61830%0.297SS*.Hα-helixtrans-61.6-32.7-176.1177.50000112.5H323 K329H323-V325 VanDerWaalsContact C-N 3.35Å; H323-V325 PolarHBondContact O-N 3.19Å; H323-V325 VanDerWaalsContact O-N 3.15Å; V325-K329 WeakPolarHBondContact O-CE 3.44Å
326A95.2Very high92.9Very high10 Ų1054.6 Ų54.68%0.08330%0.301CS..Hα-helixtrans-87.9-44-176.500000111.9S111 L112 H323 H324 K329S111-A326 VanDerWaalsContact CB-O 3.22Å; S111-A326 WeakPolarHBondContact CB-O 3.4Å; S111-A326 PolarHBondContact OG-O 2.85Å; L112-A326 HydrophobicContact CD2-CB 3.74Å; H323-A326 PolarHBondContact O-N 3.48Å; H324-A326 PolarHBondContact O-N 2.98Å; A326-K329 PolarHBondContact O-N 3.39Å
327T94.8Very high91.5Very high4 Ų456.8 Ų56.83%0.02532%0.316CS..Hα-helixtrans-69.9-32.7178.352.50000113L112 D316 W317 H323 H324 K329 A330L112-T327 HydrophobicContact CD1-CG2 4.5Å; L112-T327 HydrophobicContact CD2-CG2 3.8Å; L112-T327 HydrophobicContact CG-CG2 4.31Å; D316-T327 VanDerWaalsContact C-OG1 3.3Å; D316-T327 HydrophobicContact CB-CG2 3.91Å; D316-T327 PolarHBondContact O-OG1 3.01Å; W317-T327 VanDerWaalsContact CA-OG1 3.31Å; W317-T327 WeakPolarHBondContact CA-OG1 3.35Å; H323-T327 HydrophobicContact CB-CG2 4.11Å; H323-T327 PolarHBondContact O-N 3.45Å; H323-T327 PolarHBondContact O-OG1 3.5Å; H323-T327 VanDerWaalsContact O-OG1 3.08Å; H324-T327 PolarHBondContact O-OG1 3.38Å; T327-K329 PolarHBondContact O-N 2.92Å; T327-K329 VanDerWaalsContact O-N 3.07Å; T327-A330 WeakPolarHBondContact O-CB 3.42Å; T327-A330 PolarHBondContact O-N 3.11Å
328S91.8Very high90.1Very high67 Ų6759.9 Ų59.947%0.46933%0.331SS..THydrogen-bonded Turntrans-62.8-16.8176-590000113.2H324H324-S328 PolarHBondContact CE1-OG 2.86Å; H324-S328 PolarHBondContact ND1-OG 3.4Å; H324-S328 VanDerWaalsContact ND1-OG 3.08Å; H324-S328 WeakPolarHBondContact O-CB 3.43Å; H324-S328 PolarHBondContact O-N 2.87Å; H324-S328 PolarHBondContact O-OG 3.43Å
329K91.8Very high87.7Confident162 Ų16266.1 Ų66.170%0.70436%0.36SS*.THydrogen-bonded Turntrans-95.90.7176.1-60.9177.7-176-178.80112.7V325 A326 T327V325-K329 WeakPolarHBondContact O-CE 3.44Å; A326-K329 PolarHBondContact O-N 3.39Å; T327-K329 PolarHBondContact O-N 2.92Å; T327-K329 VanDerWaalsContact O-N 3.07Å
330A93.5Very high85Confident11 Ų1158.6 Ų58.69%0.09135%0.352CS..PPolyproline II helixtrans-64.6130.5179.700000109.7P103 M108 T327P103-A330 HydrophobicContact CB-CB 3.88Å; P103-A330 HydrophobicContact CG-CB 4.01Å; P103-A330 WeakPolarHBondContact CG-O 3.47Å; M108-A330 HydrophobicContact CB-CB 4.36Å; M108-A330 HydrophobicContact CG-CB 3.81Å; T327-A330 WeakPolarHBondContact O-CB 3.42Å; T327-A330 PolarHBondContact O-N 3.11Å
331P92.1Very high82.1Confident84 Ų8464.2 Ų64.255%0.54536%0.356SS..PPolyproline II helixtrans-66.7143.3176.828-33.6000110.1S107S107-P331 PolarHBondContact OG-O 2.99Å
332A88.9Confident79.3Confident51 Ų5167.4 Ų67.442%0.42137%0.37SS..BIsolated β-bridgetrans-59.3151.5173.200000111.2
333H87.5Confident76.3Confident11 Ų1166 Ų665%0.05137%0.37CS..PPolyproline II helixtrans-66.6142.5177.8-171-106.3000111.3V101 G102 Q155 S158 L171 M335V101-H333 HydrophobicContact CG2-CB 4.04Å; G102-H333 VanDerWaalsContact O-CB 3.27Å; G102-H333 WeakPolarHBondContact O-CB 3.27Å; G102-H333 PolarHBondContact O-N 2.91Å; Q155-H333 PolarHBondContact O-NE2 3.25Å; S158-H333 WeakPolarHBondContact OG-CB 3.31Å; L171-H333 WeakPolarHBondContact CD1-ND1 3.29Å; H333-M335 VanDerWaalsContact C-N 3.31Å; H333-M335 VanDerWaalsContact CE1-CA 3.47Å; H333-M335 WeakPolarHBondContact CE1-CA 3.44Å; H333-M335 PolarHBondContact CE1-N 3.41Å; H333-M335 VanDerWaalsContact ND1-CA 3.31Å; H333-M335 WeakPolarHBondContact ND1-CA 3.38Å; H333-M335 PolarHBondContact ND1-N 3.39Å
334N86.9Confident73Confident58 Ų5870 Ų7031%0.3140%0.4SS..  trans-87.10-177.767.114.3000114L29 V37 M336L29-N334 VanDerWaalsContact O-CB 3.24Å; L29-N334 WeakPolarHBondContact O-CB 3.43Å; V37-N334 WeakPolarHBondContact CB-O 3.42Å; N334-M336 PolarHBondContact O-N 2.98Å; N334-M336 VanDerWaalsContact O-N 3.1Å; N334-M336 PolarHBondContact OD1-N 3.46Å
335M86.1Confident70Confident16 Ų1669.7 Ų69.78%0.07941%0.406CS..SBendtrans59.214.4-178.7-51.8-63.6-82.500115.3V37 A50 M98 V101 L171 H333V37-M335 HydrophobicContact CB-CB 4.24Å; V37-M335 HydrophobicContact CG1-CB 3.65Å; V37-M335 HydrophobicContact CG1-CG 4.15Å; V37-M335 HydrophobicContact CG2-CB 3.86Å; A50-M335 HydrophobicContact CB-CE 4.38Å; A50-M335 HydrophobicContact CB-CG 4.09Å; M98-M335 HydrophobicContact CG-CE 4.38Å; M98-M335 HydrophobicContact SD-CE 4.09Å; V101-M335 HydrophobicContact CB-SD 4.43Å; V101-M335 HydrophobicContact CG1-CE 4.27Å; V101-M335 HydrophobicContact CG1-SD 4.49Å; V101-M335 HydrophobicContact CG2-CE 4.16Å; V101-M335 HydrophobicContact CG2-SD 3.31Å; V101-M335 WeakPolarHBondContact CG2-SD 3.5Å; L171-M335 HydrophobicContact CD1-SD 4.22Å; L171-M335 HydrophobicContact CD2-CE 4.11Å; H333-M335 VanDerWaalsContact C-N 3.31Å; H333-M335 VanDerWaalsContact CE1-CA 3.47Å; H333-M335 WeakPolarHBondContact CE1-CA 3.44Å; H333-M335 PolarHBondContact CE1-N 3.41Å; H333-M335 VanDerWaalsContact ND1-CA 3.31Å; H333-M335 WeakPolarHBondContact ND1-CA 3.38Å; H333-M335 PolarHBondContact ND1-N 3.39Å
336M82.2Confident66.9Low20 Ų2068.8 Ų68.810%0.09941%0.41CS..SBendtrans-97.1149.4173.2-71.9-55.7-67.700111G32 V37 N334 E338G32-M336 VanDerWaalsContact N-CE 3.32Å; V37-M336 HydrophobicContact CB-SD 4.46Å; V37-M336 HydrophobicContact CG2-CG 4.01Å; V37-M336 HydrophobicContact CG2-SD 3.45Å; V37-M336 WeakPolarHBondContact CG2-SD 3.49Å; N334-M336 PolarHBondContact O-N 2.98Å; N334-M336 VanDerWaalsContact O-N 3.1Å; N334-M336 PolarHBondContact OD1-N 3.46Å; M336-E338 PolarHBondContact O-N 3.41Å
337P68.2Low63.6Low50 Ų5073.4 Ų73.433%0.32544%0.441SS..  trans-55.7121.8161.8-23.334.4000109.3D172 Q339D172-P337 WeakPolarHBondContact OD2-CB 3.28Å; D172-P337 WeakPolarHBondContact OD2-CG 3.43Å; P337-Q339 PolarHBondContact O-N 3.01Å
338E66.4Low60.4Low87 Ų8778.6 Ų78.641%0.40748%0.475SS..  trans-65.2109.2165.8-80.6-161.1174.300108Q155 M336 G340Q155-E338 HydrophobicContact CG-CB 4.26Å; Q155-E338 VanDerWaalsContact CG-CD 3.45Å; Q155-E338 HydrophobicContact CG-CG 4.08Å; Q155-E338 WeakPolarHBondContact CG-OE2 3.29Å; Q155-E338 PolarHBondContact NE2-OE2 3.28Å; M336-E338 PolarHBondContact O-N 3.41Å; E338-G340 PolarHBondContact O-N 2.87Å; E338-G340 VanDerWaalsContact O-N 3.11Å
339Q47.4Very low57.5Low149 Ų14980.6 Ų80.670%0.69649%0.489SS*.  trans-59.4120.2166-70.8-171.6-0.700106.5P337 K341P337-Q339 PolarHBondContact O-N 3.01Å; Q339-K341 PolarHBondContact O-N 3.12Å
340G37.5Very low54.6Low66 Ų6678.7 Ų78.768%0.6849%0.491SS*.  trans-54.482.6-178.900000112E338 N342E338-G340 PolarHBondContact O-N 2.87Å; E338-G340 VanDerWaalsContact O-N 3.11Å; G340-N342 PolarHBondContact O-N 3.38Å
341K33.3Very low51.4Low195 Ų19587.6 Ų87.685%0.84853%0.528SS*.  trans-59.192.5134.2-70.8-173.9180-179.60102.4Q339 V343Q339-K341 PolarHBondContact O-N 3.12Å; K341-V343 PolarHBondContact O-N 2.82Å
342N38.3Very low48.7Very low77 Ų7790.9 Ų90.941%0.41254%0.541SS..  trans-34.3116.6158.8-80.5-15.2000104.5Q249 G340 S344Q249-N342 PolarHBondContact OE1-ND2 2.71Å; Q249-N342 VanDerWaalsContact OE1-ND2 3.12Å; G340-N342 PolarHBondContact O-N 3.38Å; N342-S344 PolarHBondContact O-N 3.24Å
343V33Very low46Very low96 Ų9695.6 Ų95.658%0.58259%0.594SS**  trans-50.8100.2-179.3-179.80000104K341 A345K341-V343 PolarHBondContact O-N 2.82Å; V343-A345 VanDerWaalsContact C-N 3.3Å; V343-A345 PolarHBondContact O-N 3.09Å
344S28.4Very low43.9Very low99 Ų9999.8 Ų99.869%0.69262%0.621SS**  trans-61.1111.3174.851.10000100.9N342 A346N342-S344 PolarHBondContact O-N 3.24Å; S344-A346 PolarHBondContact O-N 3.25Å
345A32.3Very low41.7Very low48 Ų48102 Ų10240%0.39764%0.638SS.*  trans-36.6121.4172.300000106V239 V343 S347V239-A345 HydrophobicContact CG2-CB 4.17Å; V343-A345 VanDerWaalsContact C-N 3.3Å; V343-A345 PolarHBondContact O-N 3.09Å; A345-S347 PolarHBondContact O-N 2.89Å
346A29.2Very low39.2Very low83 Ų83106.8 Ų106.869%0.68667%0.669SS**  trans-40.5115.6-174.100000107.1S344 P348S344-A346 PolarHBondContact O-N 3.25Å; A346-P348 WeakPolarHBondContact O-CD 3.43Å
347S25.7Very low36.7Very low107 Ų107111.9 Ų111.975%0.74870%0.702SS**PPolyproline II helixtrans-48.9116.5-172.531.20000107.5A345 S349A345-S347 PolarHBondContact O-N 2.89Å; S347-S349 PolarHBondContact O-N 3.27Å; S347-S349 VanDerWaalsContact O-N 3.17Å
348P27.9Very low34.7Very low114 Ų114115.8 Ų115.874%0.7473%0.726SS**PPolyproline II helixtrans-57.4128.7-179.220.2-29000106.6A346 T350A346-P348 WeakPolarHBondContact O-CD 3.43Å; P348-T350 PolarHBondContact O-N 3.17Å
349S31.5Very low32.6Very low108 Ų108117.7 Ų117.776%0.75575%0.747SS**PPolyproline II helixtrans-48.2118.4175.945.20000107.9S347 K351S347-S349 PolarHBondContact O-N 3.27Å; S347-S349 VanDerWaalsContact O-N 3.17Å; S349-K351 VanDerWaalsContact C-N 3.31Å; S349-K351 PolarHBondContact O-N 3.04Å
350T30.1Very low31.5Very low123 Ų123115.4 Ų115.476%0.75575%0.751SS**  trans-61.596.9173.943.40000107.4P348 N352P348-T350 PolarHBondContact O-N 3.17Å; T350-N352 PolarHBondContact O-N 3.43Å; T350-N352 VanDerWaalsContact O-N 3.13Å
351K27.5Very low31.1Very low198 Ų198119.2 Ų119.286%0.86176%0.756SS**  trans-74.980.8153.4-78.4-170.2176.3-175.60107.1S349S349-K351 VanDerWaalsContact C-N 3.31Å; S349-K351 PolarHBondContact O-N 3.04Å
352N34.2Very low30.9Very low153 Ų153112.9 Ų112.982%0.81875%0.749SS**  trans-101.6122147.4-67.2-8000102.8T350T350-N352 PolarHBondContact O-N 3.43Å; T350-N352 VanDerWaalsContact O-N 3.13Å
353G32.7Very low30.2Very low149 Ų149116.2 Ų116.2100%1.53678%0.779SS**  cis156.5024.500000103

Retrieved 353 of 353 residues in 110.5 ms (Link to these results)

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