A0A077ZEQ4_TRITR Loading...

BAG family molecular chaperone regulator 1

AlphaFold DB , UniProt , Accession A0A077ZEQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 201 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
1M69.5Low77.9Confident57 Ų5777 Ų7728%0.28139%0.394SS..  0130.20-167.7-172.684.800110.1L3 L16 L18 F65 P67M1-L3 HydrophobicContact CE-CD1 4.11Å; M1-L3 HydrophobicContact CE-CD2 3.47Å; M1-L3 VanDerWaalsContact CE-CD2 3.47Å; M1-L3 HydrophobicContact CE-CG 3.67Å; M1-L16 PolarHBondContact N-O 2.9Å; M1-L16 PolarHBondContact O-N 3.49Å; M1-L18 HydrophobicContact CB-CD1 4.15Å; M1-L18 HydrophobicContact CE-CD1 3.57Å; M1-L18 HydrophobicContact SD-CD1 4.07Å; M1-F65 HydrophobicContact CE-CB 3.34Å; M1-F65 HydrophobicContact CE-CG 4.35Å; M1-F65 HydrophobicContact SD-CB 4.33Å; M1-P67 HydrophobicContact CG-CB 4.08Å
2Q76.1Confident78Confident106 Ų10675.2 Ų75.250%0.49538%0.382SS..EExtended strand (participates in β ladder)trans-88127.6180-78.9173.81.200112.2T13 E15 G68Q2-T13 HydrophobicContact CB-CG2 4.27Å; Q2-T13 HydrophobicContact CG-CG2 4.25Å; Q2-E15 HydrophobicContact CG-CG 3.76Å; Q2-E15 PolarHBondContact NE2-OE1 3.35Å; Q2-G68 PolarHBondContact O-N 3.06Å
3L78.9Confident78.2Confident1 Ų176.5 Ų76.51%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-117.1146.3171.7-72.3-172.7000111.3M1 T13 I14 L16 F65 D69 I71M1-L3 HydrophobicContact CE-CD1 4.11Å; M1-L3 HydrophobicContact CE-CD2 3.47Å; M1-L3 VanDerWaalsContact CE-CD2 3.47Å; M1-L3 HydrophobicContact CE-CG 3.67Å; L3-T13 WeakPolarHBondContact O-CA 3.43Å; L3-I14 PolarHBondContact N-O 3.04Å; L3-I14 PolarHBondContact O-N 3.45Å; L3-L16 HydrophobicContact CD1-CD1 3.28Å; L3-L16 HydrophobicContact CG-CD1 4.01Å; L3-F65 HydrophobicContact CD1-CD1 4.03Å; L3-F65 HydrophobicContact CD1-CE1 4.37Å; L3-F65 HydrophobicContact CD1-CG 4.16Å; L3-F65 HydrophobicContact CD2-CB 4.33Å; L3-F65 HydrophobicContact CD2-CD1 4.4Å; L3-D69 HydrophobicContact CD2-CB 3.71Å; L3-I71 HydrophobicContact CD1-CD1 3.64Å; L3-I71 HydrophobicContact CD1-CG1 4.46Å
4Q82.9Confident78.1Confident78 Ų7871.7 Ų71.736%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-98.2121.2174.4-71.4-172.71.100110.6D69 R70 I71Q4-D69 PolarHBondContact N-O 3Å; Q4-R70 HydrophobicContact CB-CG 4.05Å; Q4-R70 CarbonylContact O-C 3.57Å; Q4-R70 WeakPolarHBondContact O-CA 3.49Å; Q4-I71 PolarHBondContact O-N 2.93Å
5I84.8Confident77.8Confident1 Ų175.7 Ų75.71%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-100.8125.1178.6-60.6-132.5000109.2K11 H12 I14 V33 I37 I71 V73I5-K11 CarbonylContact O-C 3.54Å; I5-K11 WeakPolarHBondContact O-CA 3.38Å; I5-H12 WeakPolarHBondContact CA-O 3.5Å; I5-H12 HydrophobicContact CB-CB 4.27Å; I5-H12 WeakPolarHBondContact CB-O 3.47Å; I5-H12 PolarHBondContact N-O 3.18Å; I5-H12 PolarHBondContact O-N 3.06Å; I5-I14 HydrophobicContact CD1-CB 4.45Å; I5-I14 HydrophobicContact CD1-CD1 3.26Å; I5-I14 HydrophobicContact CD1-CG1 3.89Å; I5-I14 HydrophobicContact CG1-CB 4.37Å; I5-I14 HydrophobicContact CG1-CD1 3.75Å; I5-I14 HydrophobicContact CG1-CG1 3.82Å; I5-V33 HydrophobicContact CD1-CB 4.19Å; I5-V33 HydrophobicContact CD1-CG1 4.24Å; I5-V33 HydrophobicContact CD1-CG2 3.23Å; I5-V33 HydrophobicContact CG2-CG1 4.48Å; I5-I37 HydrophobicContact CG2-CD1 4.03Å; I5-I71 WeakPolarHBondContact CA-O 3.42Å; I5-V73 HydrophobicContact CG2-CB 4.48Å; I5-V73 HydrophobicContact CG2-CG2 3.46Å; I5-V73 VanDerWaalsContact CG2-CG2 3.46Å
6I81.8Confident77.1Confident33 Ų3371.7 Ų71.717%0.16937%0.367CS..EExtended strand (participates in β ladder)trans-112.8112.7179.8-55.4178.1000108.1K11 R70 I71 M72 V73I6-K11 HydrophobicContact CG1-CG 4.46Å; I6-R70 HydrophobicContact CD1-CB 4.12Å; I6-R70 HydrophobicContact CD1-CG 4.21Å; I6-I71 PolarHBondContact N-O 2.9Å; I6-M72 HydrophobicContact CB-CG 4.37Å; I6-V73 PolarHBondContact O-N 3.46Å
7Y79Confident76.1Confident43 Ų4371.3 Ų71.317%0.16937%0.371CS..EExtended strand (participates in β ladder)trans-121.9107.6175.3-177.2-107.3000110R10 I37 V73 G75Y7-R10 PolarHBondContact N-O 3.21Å; Y7-R10 PolarHBondContact O-N 2.95Å; Y7-I37 HydrophobicContact CD1-CG2 3.59Å; Y7-I37 HydrophobicContact CD2-CD1 4.11Å; Y7-I37 HydrophobicContact CD2-CG2 4.11Å; Y7-I37 HydrophobicContact CE1-CG2 3.7Å; Y7-I37 HydrophobicContact CE2-CG2 4.21Å; Y7-I37 HydrophobicContact CG-CD1 3.92Å; Y7-I37 HydrophobicContact CG-CG1 4.42Å; Y7-I37 HydrophobicContact CG-CG2 3.82Å; Y7-V73 HydrophobicContact CD2-CB 4.07Å; Y7-V73 HydrophobicContact CD2-CG1 3.98Å; Y7-V73 WeakPolarHBondContact CD2-O 3.35Å; Y7-G75 WeakPolarHBondContact CE2-O 3.43Å; Y7-G75 PolarHBondContact OH-O 3.5Å
8G73.9Confident75.1Confident61 Ų6169.4 Ų69.463%0.62936%0.361SS*.THydrogen-bonded Turntrans54.1-124.2-172.700000111.3R10G8-R10 VanDerWaalsContact C-N 3.35Å
9P74.2Confident73.9Confident133 Ų13375.4 Ų75.486%0.86439%0.387SS*.THydrogen-bonded Turntrans-82.4-6.4177.233.1-33.5000114.1
10R73.9Confident73Confident172 Ų17277.4 Ų77.465%0.64940%0.403SS*.EExtended strand (participates in β ladder)trans-98.1140.4-173.1-62.4-176.8178.6-178-0.6111.7Y7 G8Y7-R10 PolarHBondContact N-O 3.21Å; Y7-R10 PolarHBondContact O-N 2.95Å; G8-R10 VanDerWaalsContact C-N 3.35Å
11K81.6Confident72.5Confident162 Ų16278.4 Ų78.470%0.70441%0.406SS*.EExtended strand (participates in β ladder)trans-113.7126.4174-61.3-179.7-175.5173.20108.6I5 I6I5-K11 CarbonylContact O-C 3.54Å; I5-K11 WeakPolarHBondContact O-CA 3.38Å; I6-K11 HydrophobicContact CG1-CG 4.46Å
12H79.3Confident72.2Confident55 Ų5580 Ų8026%0.25542%0.42SS..EExtended strand (participates in β ladder)trans-121140.5177.4-64.8-84.3000108.8I5 T36I5-H12 WeakPolarHBondContact CA-O 3.5Å; I5-H12 HydrophobicContact CB-CB 4.27Å; I5-H12 WeakPolarHBondContact CB-O 3.47Å; I5-H12 PolarHBondContact N-O 3.18Å; I5-H12 PolarHBondContact O-N 3.06Å; H12-T36 HydrophobicContact CB-CG2 3.96Å
13T80.5Confident71.8Confident92 Ų9280.8 Ų80.856%0.56443%0.428SS*.EExtended strand (participates in β ladder)trans-102125.7173.2-55.80000107.7Q2 L3Q2-T13 HydrophobicContact CB-CG2 4.27Å; Q2-T13 HydrophobicContact CG-CG2 4.25Å; L3-T13 WeakPolarHBondContact O-CA 3.43Å
14I77.7Confident71.6Confident10 Ų1081 Ų815%0.05143%0.43CS..EExtended strand (participates in β ladder)trans-115.7135.9175.8-55.6-170.6000108.7L3 I5 E32 V33 T36L3-I14 PolarHBondContact N-O 3.04Å; L3-I14 PolarHBondContact O-N 3.45Å; I5-I14 HydrophobicContact CD1-CB 4.45Å; I5-I14 HydrophobicContact CD1-CD1 3.26Å; I5-I14 HydrophobicContact CD1-CG1 3.89Å; I5-I14 HydrophobicContact CG1-CB 4.37Å; I5-I14 HydrophobicContact CG1-CD1 3.75Å; I5-I14 HydrophobicContact CG1-CG1 3.82Å; I14-E32 HydrophobicContact CG2-CG 3.85Å; I14-V33 HydrophobicContact CD1-CG2 4.31Å; I14-T36 HydrophobicContact CD1-CG2 4.21Å; I14-T36 WeakPolarHBondContact CD1-OG1 3.22Å; I14-T36 HydrophobicContact CG1-CG2 4.44Å
15E73.3Confident71.7Confident132 Ų13278.4 Ų78.462%0.61742%0.42SS*.EExtended strand (participates in β ladder)trans-93.7115.6172.4-65.8-166.5160.600109.4Q2Q2-E15 HydrophobicContact CG-CG 3.76Å; Q2-E15 PolarHBondContact NE2-OE1 3.35Å
16L67.1Low71.6Confident11 Ų1178.4 Ų78.46%0.05842%0.42CS..  trans-96.1129.5172.6-79162.2000110.1M1 L3 L18 L29 L60M1-L16 PolarHBondContact N-O 2.9Å; M1-L16 PolarHBondContact O-N 3.49Å; L3-L16 HydrophobicContact CD1-CD1 3.28Å; L3-L16 HydrophobicContact CG-CD1 4.01Å; L16-L18 HydrophobicContact CB-CD1 3.66Å; L16-L18 HydrophobicContact CB-CG 4.34Å; L16-L18 HydrophobicContact CD1-CD1 3.95Å; L16-L18 HydrophobicContact CG-CD1 4.47Å; L16-L18 PolarHBondContact O-N 3.38Å; L16-L29 HydrophobicContact CD1-CD1 3.94Å; L16-L29 HydrophobicContact CD2-CD1 3.99Å; L16-L29 HydrophobicContact CG-CD1 4.3Å; L16-L60 HydrophobicContact CD1-CD1 4.36Å; L16-L60 HydrophobicContact CD2-CD1 3.98Å
17P59.5Low71.6Confident65 Ų6579.2 Ų79.242%0.42242%0.424SS..  trans-79.350.4175.433.9-34.8000111.8E19 T20 E21P17-E19 PolarHBondContact O-N 2.98Å; P17-E19 VanDerWaalsContact O-N 3.17Å; P17-T20 PolarHBondContact O-N 3.36Å; P17-T20 VanDerWaalsContact O-N 3.09Å; P17-E21 PolarHBondContact O-N 3.37Å
18L57.4Low71.7Confident38 Ų3880.9 Ų80.920%0.19943%0.433CS..THydrogen-bonded Turntrans-60.3-23.7178.2-89.1134.4000113.8M1 L16 L60M1-L18 HydrophobicContact CB-CD1 4.15Å; M1-L18 HydrophobicContact CE-CD1 3.57Å; M1-L18 HydrophobicContact SD-CD1 4.07Å; L16-L18 HydrophobicContact CB-CD1 3.66Å; L16-L18 HydrophobicContact CB-CG 4.34Å; L16-L18 HydrophobicContact CD1-CD1 3.95Å; L16-L18 HydrophobicContact CG-CD1 4.47Å; L16-L18 PolarHBondContact O-N 3.38Å; L18-L60 HydrophobicContact CD2-CB 3.86Å
19E53.3Low72.1Confident183 Ų18378 Ų7886%0.85540%0.403SS*.THydrogen-bonded Turntrans-82-23.4178-70179.2177.300112.5P17P17-E19 PolarHBondContact O-N 2.98Å; P17-E19 VanDerWaalsContact O-N 3.17Å
20T55.2Low72.6Confident115 Ų11572.8 Ų72.871%0.70637%0.367SS*.THydrogen-bonded Turntrans-97.9-29.6-176.6-18.90000111.5P17P17-T20 PolarHBondContact O-N 3.36Å; P17-T20 VanDerWaalsContact O-N 3.09Å
21E62.2Low73.1Confident99 Ų9968.5 Ų68.546%0.46336%0.355SS..  trans-128.388.4-179.2-65.7-172.6175.200111P17 N23 A24P17-E21 PolarHBondContact O-N 3.37Å; E21-N23 PolarHBondContact O-N 2.84Å; E21-N23 VanDerWaalsContact O-N 3.09Å; E21-A24 HydrophobicContact CB-CB 4.49Å; E21-A24 WeakPolarHBondContact O-CB 3.34Å; E21-A24 PolarHBondContact O-N 2.74Å; E21-A24 VanDerWaalsContact O-N 3.14Å
22P63.5Low73.1Confident90 Ų9064.5 Ų64.558%0.58434%0.338SS*.THydrogen-bonded Turntrans-64.9-15.3179.526.4-34.5000113.3
23N69.1Low73.2Confident123 Ų12361.9 Ų61.966%0.65833%0.326SS*.THydrogen-bonded Turntrans-95.111.7179.9-66.1-15000113.3E21 T25 L59E21-N23 PolarHBondContact O-N 2.84Å; E21-N23 VanDerWaalsContact O-N 3.09Å; N23-T25 PolarHBondContact O-N 2.81Å; N23-L59 HydrophobicContact CB-CD2 4.37Å; N23-L59 WeakPolarHBondContact O-CD2 3.46Å
24A74.8Confident73Confident6 Ų657.8 Ų57.85%0.0530%0.303CS..  trans-59.8131.4-179.500000111E21 L60E21-A24 HydrophobicContact CB-CB 4.49Å; E21-A24 WeakPolarHBondContact O-CB 3.34Å; E21-A24 PolarHBondContact O-N 2.74Å; E21-A24 VanDerWaalsContact O-N 3.14Å; A24-L60 HydrophobicContact CB-CD1 3.72Å; A24-L60 HydrophobicContact CB-CG 4.26Å; A24-L60 WeakPolarHBondContact O-CG 3.49Å; A24-L60 PolarHBondContact O-N 3.41Å
25T83.2Confident73Confident23 Ų2364.4 Ų64.414%0.14133%0.331CS..BIsolated β-bridgetrans-101.7162.1-174.960.10000112.5N23 L27 Q28 L29 D56 T58 L59N23-T25 PolarHBondContact O-N 2.81Å; T25-L27 PolarHBondContact O-N 3.29Å; T25-Q28 PolarHBondContact O-N 3.44Å; T25-L29 PolarHBondContact O-N 3.16Å; T25-D56 WeakPolarHBondContact CB-O 3.31Å; T25-T58 CarbonylContact C-O 3.59Å; T25-T58 WeakPolarHBondContact CA-O 3.41Å; T25-L59 HydrophobicContact CG2-CD2 4.49Å
26L82.6Confident73.1Confident1 Ų160.7 Ų60.71%0.00532%0.317CS..Hα-helixtrans-57.9-31.8172.2-171.666.3000111.8L29 K30 L46 L53 G55 D56 T58 L60 L63L26-L29 HydrophobicContact CD1-CD2 4.28Å; L26-L29 PolarHBondContact O-N 3.41Å; L26-K30 WeakPolarHBondContact O-CG 3.49Å; L26-K30 PolarHBondContact O-N 3.27Å; L26-L46 HydrophobicContact CD1-CD1 3.87Å; L26-L53 HydrophobicContact CD1-CB 3.95Å; L26-L53 HydrophobicContact CD1-CD1 3.77Å; L26-L53 HydrophobicContact CD1-CG 4.47Å; L26-L53 HydrophobicContact CD2-CB 3.83Å; L26-G55 WeakPolarHBondContact CD2-O 3.44Å; L26-D56 PolarHBondContact N-O 3.18Å; L26-T58 PolarHBondContact N-O 3.21Å; L26-L60 HydrophobicContact CD1-CD2 4.41Å; L26-L63 HydrophobicContact CD1-CD1 4.2Å
27L82.5Confident73.3Confident50 Ų5061 Ų6126%0.26232%0.319SS..Hα-helixtrans-59.4-51.4174.6-172.864000111.8T25 L29 K30 E31 V41 D56T25-L27 PolarHBondContact O-N 3.29Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 PolarHBondContact O-N 3.27Å; L27-K30 CarbonylContact O-C 3.56Å; L27-K30 WeakPolarHBondContact O-CA 3.44Å; L27-K30 WeakPolarHBondContact O-CB 3.42Å; L27-K30 PolarHBondContact O-N 2.72Å; L27-E31 WeakPolarHBondContact O-CG 3.37Å; L27-E31 PolarHBondContact O-N 3.22Å; L27-V41 HydrophobicContact CD1-CG1 3.76Å; L27-D56 HydrophobicContact CB-CB 4.08Å; L27-D56 WeakPolarHBondContact CB-O 3.38Å; L27-D56 HydrophobicContact CD1-CB 4.15Å; L27-D56 PolarHBondContact N-O 3.18Å
28Q81.7Confident73.8Confident77 Ų7760.3 Ų60.336%0.3632%0.324SS..Hα-helixtrans-61.3-38.3179-70.1174-39.400111.5T25 E31 E32T25-Q28 PolarHBondContact O-N 3.44Å; Q28-E31 PolarHBondContact O-N 3.04Å; Q28-E32 WeakPolarHBondContact O-CB 3.39Å; Q28-E32 PolarHBondContact O-N 3.39Å
29L82.6Confident74.3Confident1 Ų159 Ų591%0.00532%0.318CS..Hα-helixtrans-62-47.1172173.857.4000111.2L16 T25 L26 L27 E31 E32 V33 L46 L60 F65 I71L16-L29 HydrophobicContact CD1-CD1 3.94Å; L16-L29 HydrophobicContact CD2-CD1 3.99Å; L16-L29 HydrophobicContact CG-CD1 4.3Å; T25-L29 PolarHBondContact O-N 3.16Å; L26-L29 HydrophobicContact CD1-CD2 4.28Å; L26-L29 PolarHBondContact O-N 3.41Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 PolarHBondContact O-N 3.27Å; L29-E31 VanDerWaalsContact C-N 3.3Å; L29-E31 PolarHBondContact O-N 3.31Å; L29-E32 PolarHBondContact O-N 3.38Å; L29-V33 HydrophobicContact CD1-CG2 3.77Å; L29-V33 HydrophobicContact CG-CG2 4.14Å; L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 WeakPolarHBondContact O-CG2 3.5Å; L29-V33 PolarHBondContact O-N 2.88Å; L29-L46 HydrophobicContact CD2-CD1 4.13Å; L29-L46 HydrophobicContact CG-CD1 4.07Å; L29-L60 HydrophobicContact CB-CD1 4.22Å; L29-L60 HydrophobicContact CB-CD2 3.9Å; L29-L60 HydrophobicContact CD2-CD2 3.78Å; L29-F65 HydrophobicContact CD2-CZ 4.24Å; L29-I71 HydrophobicContact CD2-CD1 3.92Å
30K84.2Confident75.2Confident23 Ų2355.6 Ų55.610%0.130%0.302CS..Hα-helixtrans-61.4-37.6177-75.5-179.5174.6178.60112.4L26 L27 G34 V41 L46 D56L26-K30 WeakPolarHBondContact O-CG 3.49Å; L26-K30 PolarHBondContact O-N 3.27Å; L27-K30 CarbonylContact O-C 3.56Å; L27-K30 WeakPolarHBondContact O-CA 3.44Å; L27-K30 WeakPolarHBondContact O-CB 3.42Å; L27-K30 PolarHBondContact O-N 2.72Å; K30-G34 WeakPolarHBondContact O-CA 3.33Å; K30-G34 PolarHBondContact O-N 3.03Å; K30-V41 HydrophobicContact CB-CG1 3.84Å; K30-V41 HydrophobicContact CB-CG2 4.5Å; K30-V41 HydrophobicContact CD-CG1 3.87Å; K30-L46 HydrophobicContact CG-CD1 3.57Å; K30-L46 HydrophobicContact CG-CG 4.09Å; K30-D56 IonicContact NZ-OD1 2.68Å; K30-D56 PolarHBondContact NZ-OD1 2.89Å
31E83.8Confident76.2Confident83 Ų8351.8 Ų51.839%0.38828%0.279SS..Hα-helixtrans-63.5-45.2174.9-73.6175.4167.900111.1L27 Q28 L29 G34 K35 V41L27-E31 WeakPolarHBondContact O-CG 3.37Å; L27-E31 PolarHBondContact O-N 3.22Å; Q28-E31 PolarHBondContact O-N 3.04Å; L29-E31 VanDerWaalsContact C-N 3.3Å; L29-E31 PolarHBondContact O-N 3.31Å; E31-G34 PolarHBondContact O-N 3.17Å; E31-K35 VanDerWaalsContact O-CG 3.32Å; E31-K35 WeakPolarHBondContact O-CG 3.49Å; E31-K35 PolarHBondContact O-N 3.24Å; E31-V41 HydrophobicContact CB-CG2 4.43Å; E31-V41 HydrophobicContact CG-CG2 3.72Å
32E81.2Confident76.6Confident77 Ų7755.6 Ų55.636%0.3630%0.297SS..Hα-helixtrans-68-39.9179-157.259.5-156.200112I14 Q28 L29 G34 K35 T36I14-E32 HydrophobicContact CG2-CG 3.85Å; Q28-E32 WeakPolarHBondContact O-CB 3.39Å; Q28-E32 PolarHBondContact O-N 3.39Å; L29-E32 PolarHBondContact O-N 3.38Å; E32-G34 VanDerWaalsContact C-N 3.33Å; E32-K35 IonicContact OE2-NZ 3.12Å; E32-K35 PolarHBondContact OE2-NZ 3.02Å; E32-T36 WeakPolarHBondContact O-CB 3.28Å; E32-T36 PolarHBondContact O-N 3.45Å; E32-T36 PolarHBondContact O-OG1 3.1Å
33V81.5Confident77Confident0 Ų054.7 Ų54.70%029%0.287CS..Hα-helixtrans-59.8-45.8169.5175.70000110.5I5 I14 L29 T36 I37 L44 L46 V73I5-V33 HydrophobicContact CD1-CB 4.19Å; I5-V33 HydrophobicContact CD1-CG1 4.24Å; I5-V33 HydrophobicContact CD1-CG2 3.23Å; I5-V33 HydrophobicContact CG2-CG1 4.48Å; I14-V33 HydrophobicContact CD1-CG2 4.31Å; L29-V33 HydrophobicContact CD1-CG2 3.77Å; L29-V33 HydrophobicContact CG-CG2 4.14Å; L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 WeakPolarHBondContact O-CG2 3.5Å; L29-V33 PolarHBondContact O-N 2.88Å; V33-T36 PolarHBondContact O-N 3.41Å; V33-I37 HydrophobicContact CG1-CD1 3.51Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CB 3.43Å; V33-I37 WeakPolarHBondContact O-CG1 3.44Å; V33-I37 PolarHBondContact O-N 3.2Å; V33-L44 HydrophobicContact CG1-CD1 4.26Å; V33-L46 HydrophobicContact CG1-CD2 4.15Å; V33-L46 HydrophobicContact CG2-CD2 4.14Å; V33-V73 HydrophobicContact CG1-CB 4.45Å; V33-V73 HydrophobicContact CG1-CG1 3.92Å; V33-V73 HydrophobicContact CG1-CG2 3.73Å
34G78.1Confident77.5Confident7 Ų749.2 Ų49.27%0.07226%0.257CS..Hα-helixtrans-64.2-41.9-178.500000112.5K30 E31 E32 T36 I37 G38 A39K30-G34 WeakPolarHBondContact O-CA 3.33Å; K30-G34 PolarHBondContact O-N 3.03Å; E31-G34 PolarHBondContact O-N 3.17Å; E32-G34 VanDerWaalsContact C-N 3.33Å; G34-T36 VanDerWaalsContact C-N 3.34Å; G34-T36 PolarHBondContact O-N 3.33Å; G34-I37 PolarHBondContact O-N 3.17Å; G34-G38 VanDerWaalsContact O-CA 3.25Å; G34-G38 WeakPolarHBondContact O-CA 3.5Å; G34-G38 PolarHBondContact O-N 3.45Å; G34-A39 CarbonylContact C-O 3.59Å; G34-A39 WeakPolarHBondContact CA-O 3.34Å; G34-A39 PolarHBondContact O-N 3.36Å
35K77.3Confident77.9Confident149 Ų14953.4 Ų53.465%0.64827%0.274SS*.Hα-helixtrans-61.4-41.9171.1-71.8172.2-167.7165.70111.8E31 E32E31-K35 VanDerWaalsContact O-CG 3.32Å; E31-K35 WeakPolarHBondContact O-CG 3.49Å; E31-K35 PolarHBondContact O-N 3.24Å; E32-K35 IonicContact OE2-NZ 3.12Å; E32-K35 PolarHBondContact OE2-NZ 3.02Å
36T74.2Confident78Confident54 Ų5452.3 Ų52.333%0.33127%0.268SS..Hα-helixtrans-69.4-35.5-178.8-56.60000112.6H12 I14 E32 V33 G34H12-T36 HydrophobicContact CB-CG2 3.96Å; I14-T36 HydrophobicContact CD1-CG2 4.21Å; I14-T36 WeakPolarHBondContact CD1-OG1 3.22Å; I14-T36 HydrophobicContact CG1-CG2 4.44Å; E32-T36 WeakPolarHBondContact O-CB 3.28Å; E32-T36 PolarHBondContact O-N 3.45Å; E32-T36 PolarHBondContact O-OG1 3.1Å; V33-T36 PolarHBondContact O-N 3.41Å; G34-T36 VanDerWaalsContact C-N 3.34Å; G34-T36 PolarHBondContact O-N 3.33Å
37I72.5Confident78.1Confident17 Ų1753.8 Ų53.89%0.08728%0.275CS..Hα-helixtrans-99.1-16.9-174.7-62.3170.7000112.6I5 Y7 V33 G34 A39 V73 Q77I5-I37 HydrophobicContact CG2-CD1 4.03Å; Y7-I37 HydrophobicContact CD1-CG2 3.59Å; Y7-I37 HydrophobicContact CD2-CD1 4.11Å; Y7-I37 HydrophobicContact CD2-CG2 4.11Å; Y7-I37 HydrophobicContact CE1-CG2 3.7Å; Y7-I37 HydrophobicContact CE2-CG2 4.21Å; Y7-I37 HydrophobicContact CG-CD1 3.92Å; Y7-I37 HydrophobicContact CG-CG1 4.42Å; Y7-I37 HydrophobicContact CG-CG2 3.82Å; V33-I37 HydrophobicContact CG1-CD1 3.51Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CB 3.43Å; V33-I37 WeakPolarHBondContact O-CG1 3.44Å; V33-I37 PolarHBondContact O-N 3.2Å; G34-I37 PolarHBondContact O-N 3.17Å; I37-A39 HydrophobicContact CG2-CB 4.33Å; I37-V73 HydrophobicContact CD1-CB 4.05Å; I37-V73 HydrophobicContact CD1-CG1 3.8Å; I37-V73 HydrophobicContact CD1-CG2 4.14Å; I37-Q77 PolarHBondContact O-NE2 3.29Å
38G68.4Low78.2Confident51 Ų5152 Ų5253%0.52627%0.266SS..THydrogen-bonded Turntrans72.439.8-172.800000112.8G34G34-G38 VanDerWaalsContact O-CA 3.25Å; G34-G38 WeakPolarHBondContact O-CA 3.5Å; G34-G38 PolarHBondContact O-N 3.45Å
39A69.2Low78.2Confident9 Ų955.2 Ų55.27%0.07427%0.274CS..  trans-125.4143.2-179.900000110.9G34 I37 L44G34-A39 CarbonylContact C-O 3.59Å; G34-A39 WeakPolarHBondContact CA-O 3.34Å; G34-A39 PolarHBondContact O-N 3.36Å; I37-A39 HydrophobicContact CG2-CB 4.33Å; A39-L44 HydrophobicContact CB-CD1 4.35Å; A39-L44 HydrophobicContact CB-CD2 3.71Å; A39-L44 HydrophobicContact CB-CG 4.09Å
40E71.6Confident78Confident112 Ų11258.8 Ų58.852%0.52331%0.311SS..  trans-69.4141.9176-71.3177.5167.800111.5E42 N43 L44E40-E42 PolarHBondContact O-N 3.15Å; E40-E42 VanDerWaalsContact O-N 3.15Å; E40-N43 PolarHBondContact O-N 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.41Å
41V76Confident77.8Confident36 Ų3667 Ų6722%0.21834%0.342CS..G310 helixtrans-53-37.1-177.51750000112.8L27 K30 E31 N43 L44L27-V41 HydrophobicContact CD1-CG1 3.76Å; K30-V41 HydrophobicContact CB-CG1 3.84Å; K30-V41 HydrophobicContact CB-CG2 4.5Å; K30-V41 HydrophobicContact CD-CG1 3.87Å; E31-V41 HydrophobicContact CB-CG2 4.43Å; E31-V41 HydrophobicContact CG-CG2 3.72Å; V41-N43 VanDerWaalsContact C-N 3.3Å; V41-N43 PolarHBondContact O-N 2.89Å; V41-L44 PolarHBondContact O-N 3.09Å
42E71.8Confident77.7Confident179 Ų17964.8 Ų64.884%0.83634%0.335SS*.G310 helixtrans-67.3-30.6-179.2-61.9-173.9174.300112.9E40 L44E40-E42 PolarHBondContact O-N 3.15Å; E40-E42 VanDerWaalsContact O-N 3.15Å; E42-L44 VanDerWaalsContact C-N 3.33Å
43N71.4Confident77.8Confident70 Ų7061.8 Ų61.837%0.37432%0.321SS..G310 helixtrans-910.7-178.8-69.6-52.2000112.7E40 V41 G75 K76E40-N43 PolarHBondContact O-N 3.29Å; V41-N43 VanDerWaalsContact C-N 3.3Å; V41-N43 PolarHBondContact O-N 2.89Å; N43-G75 WeakPolarHBondContact O-CA 3.38Å; N43-K76 WeakPolarHBondContact CB-O 3.48Å
44L80Confident77.4Confident8 Ų868.6 Ų68.64%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-98.5120.5-177.8-70174.9000112.4V33 A39 E40 V41 E42 V73V33-L44 HydrophobicContact CG1-CD1 4.26Å; A39-L44 HydrophobicContact CB-CD1 4.35Å; A39-L44 HydrophobicContact CB-CD2 3.71Å; A39-L44 HydrophobicContact CB-CG 4.09Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.41Å; V41-L44 PolarHBondContact O-N 3.09Å; E42-L44 VanDerWaalsContact C-N 3.33Å; L44-V73 HydrophobicContact CD2-CG1 3.6Å
45K81.9Confident77.2Confident94 Ų9470.2 Ų70.241%0.40937%0.368SS..EExtended strand (participates in β ladder)trans-109.1112.3169.2-173.4174.1-178.4176.30109.8S52 L74K45-S52 WeakPolarHBondContact CE-OG 3.49Å; K45-L74 CarbonylContact C-O 3.55Å; K45-L74 VanDerWaalsContact CA-O 3.31Å; K45-L74 WeakPolarHBondContact CA-O 3.43Å; K45-L74 HydrophobicContact CB-CB 4.27Å; K45-L74 VanDerWaalsContact CB-O 3.25Å; K45-L74 WeakPolarHBondContact CB-O 3.47Å; K45-L74 PolarHBondContact N-O 3.03Å; K45-L74 PolarHBondContact O-N 3.3Å; K45-L74 VanDerWaalsContact O-O 3.11Å
46L85.2Confident77.1Confident0 Ų066.2 Ų66.20%035%0.354CS..EExtended strand (participates in β ladder)trans-88.7134.6176.3-57.4179.2000110L26 L29 K30 V33 S52 L53 I71 V73L26-L46 HydrophobicContact CD1-CD1 3.87Å; L29-L46 HydrophobicContact CD2-CD1 4.13Å; L29-L46 HydrophobicContact CG-CD1 4.07Å; K30-L46 HydrophobicContact CG-CD1 3.57Å; K30-L46 HydrophobicContact CG-CG 4.09Å; V33-L46 HydrophobicContact CG1-CD2 4.15Å; V33-L46 HydrophobicContact CG2-CD2 4.14Å; L46-S52 CarbonylContact O-C 3.58Å; L46-S52 WeakPolarHBondContact O-CA 3.36Å; L46-L53 HydrophobicContact CB-CB 4.17Å; L46-L53 HydrophobicContact CB-CD1 3.98Å; L46-L53 HydrophobicContact CB-CG 4.37Å; L46-L53 PolarHBondContact O-N 3.18Å; L46-I71 HydrophobicContact CB-CG2 4.25Å; L46-I71 HydrophobicContact CD2-CG2 4.18Å; L46-V73 HydrophobicContact CD2-CB 4.36Å; L46-V73 HydrophobicContact CD2-CG1 4.16Å; L46-V73 HydrophobicContact CD2-CG2 3.64Å
47I84.9Confident77.2Confident33 Ų3370.9 Ų70.917%0.16937%0.372CS..EExtended strand (participates in β ladder)trans-121.8124.1174.1-59.9-171.3000108.9R51 M72 L74I47-R51 CarbonylContact C-O 3.59Å; I47-R51 WeakPolarHBondContact CA-O 3.28Å; I47-M72 HydrophobicContact CB-CB 4.18Å; I47-M72 PolarHBondContact N-O 2.86Å; I47-M72 PolarHBondContact O-N 3.14Å; I47-L74 HydrophobicContact CD1-CD1 3.34Å; I47-L74 HydrophobicContact CD1-CG 4.45Å; I47-L74 HydrophobicContact CG1-CD1 4.16Å
48F85.2Confident77.6Confident12 Ų1272.2 Ų72.25%0.05338%0.381CS..EExtended strand (participates in β ladder)trans-127.8127.2176.7177.5-119.8000110G50 R51 L53 L63 F65 D69 I71F48-G50 VanDerWaalsContact C-N 3.26Å; F48-G50 PolarHBondContact O-N 3.36Å; F48-R51 PolarHBondContact N-O 2.85Å; F48-R51 PolarHBondContact O-N 3.02Å; F48-R51 VanDerWaalsContact O-O 3.11Å; F48-L53 HydrophobicContact CB-CD1 3.87Å; F48-L53 HydrophobicContact CB-CD2 4.02Å; F48-L53 HydrophobicContact CB-CG 4.02Å; F48-L63 WeakPolarHBondContact CE1-O 3.46Å; F48-F65 HydrophobicContact CB-CE1 4.36Å; F48-F65 HydrophobicContact CD1-CD1 4.19Å; F48-F65 AromaticContact CD1-CE1 3.74Å; F48-F65 HydrophobicContact CD1-CE1 3.74Å; F48-F65 HydrophobicContact CD2-CD1 4.14Å; F48-F65 AromaticContact CD2-CE1 3.85Å; F48-F65 HydrophobicContact CD2-CE1 3.85Å; F48-F65 AromaticContact CE1-CD1 3.86Å; F48-F65 HydrophobicContact CE1-CD1 3.86Å; F48-F65 AromaticContact CE1-CE1 3.89Å; F48-F65 HydrophobicContact CE1-CE1 3.89Å; F48-F65 AromaticContact CE2-CD1 3.84Å; F48-F65 HydrophobicContact CE2-CD1 3.84Å; F48-F65 HydrophobicContact CE2-CE1 4.03Å; F48-F65 HydrophobicContact CG-CD1 4.32Å; F48-F65 AromaticContact CG-CE1 3.71Å; F48-F65 HydrophobicContact CG-CE1 3.71Å; F48-F65 AromaticContact CZ-CD1 3.66Å; F48-F65 HydrophobicContact CZ-CD1 3.66Å; F48-F65 HydrophobicContact CZ-CE1 4.03Å; F48-D69 HydrophobicContact CE2-CB 3.75Å; F48-D69 HydrophobicContact CZ-CB 4.32Å; F48-D69 VanDerWaalsContact CZ-OD2 3.3Å; F48-D69 WeakPolarHBondContact CZ-OD2 3.47Å; F48-I71 HydrophobicContact CD2-CG1 4.12Å
49R82Confident78.1Confident145 Ų14572.8 Ų72.855%0.54737%0.371SS..THydrogen-bonded Turntrans48.443.8-178.2-62.9-174.5179.3159.512113.9R51 D69R49-R51 PolarHBondContact O-N 2.94Å; R49-D69 IonicContact CZ-OD2 3.2Å; R49-D69 IonicContact NH2-OD1 2.73Å; R49-D69 IonicContact NH2-OD2 3.47Å; R49-D69 PolarHBondContact NH2-OD2 3.42Å
50G77.3Confident78.5Confident75 Ų7572.4 Ų72.477%0.77337%0.368SS*.THydrogen-bonded Turntrans74.10.4-179.600000114.9F48F48-G50 VanDerWaalsContact C-N 3.26Å; F48-G50 PolarHBondContact O-N 3.36Å
51R81.6Confident78.6Confident197 Ų19770.1 Ų70.174%0.74337%0.365SS*.EExtended strand (participates in β ladder)trans-104.7131.6174.6-63.4-173.2-179.3-170-0.8110.1I47 F48 R49 L53I47-R51 CarbonylContact C-O 3.59Å; I47-R51 WeakPolarHBondContact CA-O 3.28Å; F48-R51 PolarHBondContact N-O 2.85Å; F48-R51 PolarHBondContact O-N 3.02Å; F48-R51 VanDerWaalsContact O-O 3.11Å; R49-R51 PolarHBondContact O-N 2.94Å; R51-L53 PolarHBondContact O-N 3.43Å
52S81.2Confident78.7Confident35 Ų3573 Ų7325%0.24538%0.383CS..EExtended strand (participates in β ladder)trans-71.3127.9168.7-62.70000108.7K45 L46 F54K45-S52 WeakPolarHBondContact CE-OG 3.49Å; L46-S52 CarbonylContact O-C 3.58Å; L46-S52 WeakPolarHBondContact O-CA 3.36Å; S52-F54 VanDerWaalsContact O-CD2 3.23Å; S52-F54 WeakPolarHBondContact O-CD2 3.42Å
53L82.8Confident78.8Confident14 Ų1466.2 Ų66.27%0.07335%0.352CS..  trans-81123.2177.4-58.9178.4000108.5L26 L46 F48 R51 L63 F65L26-L53 HydrophobicContact CD1-CB 3.95Å; L26-L53 HydrophobicContact CD1-CD1 3.77Å; L26-L53 HydrophobicContact CD1-CG 4.47Å; L26-L53 HydrophobicContact CD2-CB 3.83Å; L46-L53 HydrophobicContact CB-CB 4.17Å; L46-L53 HydrophobicContact CB-CD1 3.98Å; L46-L53 HydrophobicContact CB-CG 4.37Å; L46-L53 PolarHBondContact O-N 3.18Å; F48-L53 HydrophobicContact CB-CD1 3.87Å; F48-L53 HydrophobicContact CB-CD2 4.02Å; F48-L53 HydrophobicContact CB-CG 4.02Å; R51-L53 PolarHBondContact O-N 3.43Å; L53-L63 HydrophobicContact CD1-CD1 4.11Å; L53-L63 HydrophobicContact CD2-CD1 3.94Å; L53-L63 HydrophobicContact CD2-CD2 3.66Å; L53-L63 HydrophobicContact CD2-CG 4.43Å; L53-F65 HydrophobicContact CD1-CZ 4.19Å
54F74Confident79.1Confident143 Ų14370.7 Ų70.763%0.62737%0.368SS*.  trans-127.4156.1179-62-76.9000109.9S52 T58S52-F54 VanDerWaalsContact O-CD2 3.23Å; S52-F54 WeakPolarHBondContact O-CD2 3.42Å; F54-T58 PolarHBondContact O-OG1 2.99Å
55G73.1Confident79Confident42 Ų4271.3 Ų71.343%0.43337%0.37SS..  trans86.397.2179.700000111.6L26 Q57 T58L26-G55 WeakPolarHBondContact CD2-O 3.44Å; G55-Q57 PolarHBondContact O-N 3.5Å; G55-Q57 VanDerWaalsContact O-N 3.15Å; G55-T58 WeakPolarHBondContact O-CB 3.42Å; G55-T58 PolarHBondContact O-N 2.94Å; G55-T58 PolarHBondContact O-OG1 2.94Å
56D75.7Confident78.8Confident65 Ų6573.1 Ų73.135%0.34838%0.378SS..THydrogen-bonded Turntrans-61.4-25.2-175.5-65.4-23.9000113T25 L26 L27 K30 T58T25-D56 WeakPolarHBondContact CB-O 3.31Å; L26-D56 PolarHBondContact N-O 3.18Å; L27-D56 HydrophobicContact CB-CB 4.08Å; L27-D56 WeakPolarHBondContact CB-O 3.38Å; L27-D56 HydrophobicContact CD1-CB 4.15Å; L27-D56 PolarHBondContact N-O 3.18Å; K30-D56 IonicContact NZ-OD1 2.68Å; K30-D56 PolarHBondContact NZ-OD1 2.89Å; D56-T58 VanDerWaalsContact C-N 3.32Å
57Q76.4Confident78.4Confident152 Ų15278 Ų7871%0.7141%0.41SS*.THydrogen-bonded Turntrans-85.31176-59.5-61.8-18.500113.9G55 L59G55-Q57 PolarHBondContact O-N 3.5Å; G55-Q57 VanDerWaalsContact O-N 3.15Å; Q57-L59 PolarHBondContact O-N 3.34Å
58T79.7Confident78Confident45 Ų4578.5 Ų78.528%0.27642%0.423SS..  trans-68.2126.3178.9-540000109.5T25 L26 F54 G55 D56 L63T25-T58 CarbonylContact C-O 3.59Å; T25-T58 WeakPolarHBondContact CA-O 3.41Å; L26-T58 PolarHBondContact N-O 3.21Å; F54-T58 PolarHBondContact O-OG1 2.99Å; G55-T58 WeakPolarHBondContact O-CB 3.42Å; G55-T58 PolarHBondContact O-N 2.94Å; G55-T58 PolarHBondContact O-OG1 2.94Å; D56-T58 VanDerWaalsContact C-N 3.32Å; T58-L63 HydrophobicContact CG2-CD2 4.47Å; T58-L63 HydrophobicContact CG2-CG 4.46Å
59L78.9Confident77.9Confident62 Ų6279.4 Ų79.433%0.32543%0.429SS..BIsolated β-bridgetrans-67.4134.5176.6-69.8170.1000111.1N23 T25 Q57 S61 T62N23-L59 HydrophobicContact CB-CD2 4.37Å; N23-L59 WeakPolarHBondContact O-CD2 3.46Å; T25-L59 HydrophobicContact CG2-CD2 4.49Å; Q57-L59 PolarHBondContact O-N 3.34Å; L59-S61 PolarHBondContact O-N 2.94Å; L59-T62 WeakPolarHBondContact O-CB 3.39Å; L59-T62 PolarHBondContact O-N 3.13Å; L59-T62 VanDerWaalsContact O-N 3.09Å
60L77.2Confident78.1Confident1 Ų180.5 Ų80.51%0.00543%0.433CS..G310 helixtrans-62.5-28.7177.1-61.1-178.9000111.7L16 L18 A24 L26 L29 T62 L63 F65L16-L60 HydrophobicContact CD1-CD1 4.36Å; L16-L60 HydrophobicContact CD2-CD1 3.98Å; L18-L60 HydrophobicContact CD2-CB 3.86Å; A24-L60 HydrophobicContact CB-CD1 3.72Å; A24-L60 HydrophobicContact CB-CG 4.26Å; A24-L60 WeakPolarHBondContact O-CG 3.49Å; A24-L60 PolarHBondContact O-N 3.41Å; L26-L60 HydrophobicContact CD1-CD2 4.41Å; L29-L60 HydrophobicContact CB-CD1 4.22Å; L29-L60 HydrophobicContact CB-CD2 3.9Å; L29-L60 HydrophobicContact CD2-CD2 3.78Å; L60-T62 VanDerWaalsContact C-N 3.25Å; L60-T62 PolarHBondContact O-N 2.83Å; L60-L63 HydrophobicContact CD2-CD1 4.35Å; L60-L63 PolarHBondContact O-N 3.08Å; L60-L63 VanDerWaalsContact O-N 3.13Å; L60-F65 HydrophobicContact CB-CD2 4.35Å; L60-F65 HydrophobicContact CB-CE2 4.17Å; L60-F65 HydrophobicContact CD2-CE2 3.83Å
61S75.1Confident78.5Confident65 Ų6576.9 Ų76.946%0.45540%0.396SS..G310 helixtrans-60.4-32.5174.956.90000112.8L59 L63L59-S61 PolarHBondContact O-N 2.94Å; S61-L63 VanDerWaalsContact C-N 3.3Å; S61-L63 PolarHBondContact O-N 3.42Å
62T77.3Confident78.6Confident96 Ų9672.4 Ų72.459%0.58938%0.384SS*.G310 helixtrans-70.9-26.8177.3-48.40000112.5L59 L60 K64L59-T62 WeakPolarHBondContact O-CB 3.39Å; L59-T62 PolarHBondContact O-N 3.13Å; L59-T62 VanDerWaalsContact O-N 3.09Å; L60-T62 VanDerWaalsContact C-N 3.25Å; L60-T62 PolarHBondContact O-N 2.83Å; T62-K64 VanDerWaalsContact C-N 3.26Å; T62-K64 PolarHBondContact O-N 3.4Å
63L73.6Confident78.7Confident37 Ų3770.9 Ų70.919%0.19437%0.374CS..G310 helixtrans-79.8-5.9-176.6-63.5174.9000113.3L26 F48 L53 T58 L60 S61 F65L26-L63 HydrophobicContact CD1-CD1 4.2Å; F48-L63 WeakPolarHBondContact CE1-O 3.46Å; L53-L63 HydrophobicContact CD1-CD1 4.11Å; L53-L63 HydrophobicContact CD2-CD1 3.94Å; L53-L63 HydrophobicContact CD2-CD2 3.66Å; L53-L63 HydrophobicContact CD2-CG 4.43Å; T58-L63 HydrophobicContact CG2-CD2 4.47Å; T58-L63 HydrophobicContact CG2-CG 4.46Å; L60-L63 HydrophobicContact CD2-CD1 4.35Å; L60-L63 PolarHBondContact O-N 3.08Å; L60-L63 VanDerWaalsContact O-N 3.13Å; S61-L63 VanDerWaalsContact C-N 3.3Å; S61-L63 PolarHBondContact O-N 3.42Å; L63-F65 VanDerWaalsContact C-N 3.27Å; L63-F65 HydrophobicContact CB-CD2 3.9Å; L63-F65 HydrophobicContact CB-CE1 4.4Å; L63-F65 HydrophobicContact CB-CE2 3.46Å; L63-F65 VanDerWaalsContact CB-CE2 3.46Å; L63-F65 HydrophobicContact CB-CZ 3.75Å; L63-F65 HydrophobicContact CD1-CE2 3.61Å; L63-F65 HydrophobicContact CD1-CZ 3.61Å; L63-F65 HydrophobicContact CG-CE2 4.15Å; L63-F65 HydrophobicContact CG-CZ 4.32Å; L63-F65 PolarHBondContact O-N 3.14Å
64K77.5Confident78.4Confident164 Ų16474.6 Ų74.671%0.71339%0.393SS*.THydrogen-bonded Turntrans48.846.5175.3-60.8-175.4-179.9-177.70112.9T62T62-K64 VanDerWaalsContact C-N 3.26Å; T62-K64 PolarHBondContact O-N 3.4Å
65F78.3Confident78.1Confident20 Ų2068.8 Ų68.89%0.08837%0.373CS..  trans-61.6141173.7-66.6-66.8000110.8M1 L3 L29 F48 L53 L60 L63 I71M1-F65 HydrophobicContact CE-CB 3.34Å; M1-F65 HydrophobicContact CE-CG 4.35Å; M1-F65 HydrophobicContact SD-CB 4.33Å; L3-F65 HydrophobicContact CD1-CD1 4.03Å; L3-F65 HydrophobicContact CD1-CE1 4.37Å; L3-F65 HydrophobicContact CD1-CG 4.16Å; L3-F65 HydrophobicContact CD2-CB 4.33Å; L3-F65 HydrophobicContact CD2-CD1 4.4Å; L29-F65 HydrophobicContact CD2-CZ 4.24Å; F48-F65 HydrophobicContact CB-CE1 4.36Å; F48-F65 HydrophobicContact CD1-CD1 4.19Å; F48-F65 AromaticContact CD1-CE1 3.74Å; F48-F65 HydrophobicContact CD1-CE1 3.74Å; F48-F65 HydrophobicContact CD2-CD1 4.14Å; F48-F65 AromaticContact CD2-CE1 3.85Å; F48-F65 HydrophobicContact CD2-CE1 3.85Å; F48-F65 AromaticContact CE1-CD1 3.86Å; F48-F65 HydrophobicContact CE1-CD1 3.86Å; F48-F65 AromaticContact CE1-CE1 3.89Å; F48-F65 HydrophobicContact CE1-CE1 3.89Å; F48-F65 AromaticContact CE2-CD1 3.84Å; F48-F65 HydrophobicContact CE2-CD1 3.84Å; F48-F65 HydrophobicContact CE2-CE1 4.03Å; F48-F65 HydrophobicContact CG-CD1 4.32Å; F48-F65 AromaticContact CG-CE1 3.71Å; F48-F65 HydrophobicContact CG-CE1 3.71Å; F48-F65 AromaticContact CZ-CD1 3.66Å; F48-F65 HydrophobicContact CZ-CD1 3.66Å; F48-F65 HydrophobicContact CZ-CE1 4.03Å; L53-F65 HydrophobicContact CD1-CZ 4.19Å; L60-F65 HydrophobicContact CB-CD2 4.35Å; L60-F65 HydrophobicContact CB-CE2 4.17Å; L60-F65 HydrophobicContact CD2-CE2 3.83Å; L63-F65 VanDerWaalsContact C-N 3.27Å; L63-F65 HydrophobicContact CB-CD2 3.9Å; L63-F65 HydrophobicContact CB-CE1 4.4Å; L63-F65 HydrophobicContact CB-CE2 3.46Å; L63-F65 VanDerWaalsContact CB-CE2 3.46Å; L63-F65 HydrophobicContact CB-CZ 3.75Å; L63-F65 HydrophobicContact CD1-CE2 3.61Å; L63-F65 HydrophobicContact CD1-CZ 3.61Å; L63-F65 HydrophobicContact CG-CE2 4.15Å; L63-F65 HydrophobicContact CG-CZ 4.32Å; L63-F65 PolarHBondContact O-N 3.14Å; F65-I71 HydrophobicContact CD1-CD1 4.37Å; F65-I71 HydrophobicContact CE1-CD1 3.61Å; F65-I71 HydrophobicContact CE1-CG1 4.12Å; F65-I71 HydrophobicContact CZ-CD1 4.01Å
66K78.3Confident77.4Confident132 Ų13275 Ų7557%0.57439%0.389SS*.  trans-110.3152172.3-65.3-176.2177.2-1740109.8G68 D69K66-G68 PolarHBondContact O-N 3.41Å; K66-D69 WeakPolarHBondContact CB-OD2 3.4Å; K66-D69 PolarHBondContact N-OD2 3.02Å; K66-D69 VanDerWaalsContact O-CB 3.23Å; K66-D69 WeakPolarHBondContact O-CB 3.49Å; K66-D69 PolarHBondContact O-N 2.94Å
67P76.5Confident76.3Confident103 Ų10376 Ų7667%0.66939%0.391SS*.THydrogen-bonded Turntrans-57.1131.1171.623.5-32.5000110.2M1 D69M1-P67 HydrophobicContact CG-CB 4.08Å; P67-D69 VanDerWaalsContact C-N 3.35Å
68G76.2Confident75.1Confident44 Ų4471 Ų7145%0.45437%0.372SS..THydrogen-bonded Turntrans842.7-176.500000115.2Q2 K66Q2-G68 PolarHBondContact O-N 3.06Å; K66-G68 PolarHBondContact O-N 3.41Å
69D83.6Confident73.7Confident30 Ų3074.4 Ų74.416%0.1640%0.395CS..  trans-62.3145.3173-94.6-25.6000111.4L3 Q4 F48 R49 K66 P67L3-D69 HydrophobicContact CD2-CB 3.71Å; Q4-D69 PolarHBondContact N-O 3Å; F48-D69 HydrophobicContact CE2-CB 3.75Å; F48-D69 HydrophobicContact CZ-CB 4.32Å; F48-D69 VanDerWaalsContact CZ-OD2 3.3Å; F48-D69 WeakPolarHBondContact CZ-OD2 3.47Å; R49-D69 IonicContact CZ-OD2 3.2Å; R49-D69 IonicContact NH2-OD1 2.73Å; R49-D69 IonicContact NH2-OD2 3.47Å; R49-D69 PolarHBondContact NH2-OD2 3.42Å; K66-D69 WeakPolarHBondContact CB-OD2 3.4Å; K66-D69 PolarHBondContact N-OD2 3.02Å; K66-D69 VanDerWaalsContact O-CB 3.23Å; K66-D69 WeakPolarHBondContact O-CB 3.49Å; K66-D69 PolarHBondContact O-N 2.94Å; P67-D69 VanDerWaalsContact C-N 3.35Å
70R85Confident72.7Confident168 Ų16874.7 Ų74.763%0.63440%0.399SS*.EExtended strand (participates in β ladder)trans-101.7124.5-178.2-68.5178.1-76.1172.7-3.4110.6Q4 I6Q4-R70 HydrophobicContact CB-CG 4.05Å; Q4-R70 CarbonylContact O-C 3.57Å; Q4-R70 WeakPolarHBondContact O-CA 3.49Å; I6-R70 HydrophobicContact CD1-CB 4.12Å; I6-R70 HydrophobicContact CD1-CG 4.21Å
71I85.5Confident72.3Confident0 Ų076.9 Ų76.90%041%0.411CS..EExtended strand (participates in β ladder)trans-108123.4170.9-60.6-178.8000107.9L3 Q4 I5 I6 L29 L46 F48 F65 V73L3-I71 HydrophobicContact CD1-CD1 3.64Å; L3-I71 HydrophobicContact CD1-CG1 4.46Å; Q4-I71 PolarHBondContact O-N 2.93Å; I5-I71 WeakPolarHBondContact CA-O 3.42Å; I6-I71 PolarHBondContact N-O 2.9Å; L29-I71 HydrophobicContact CD2-CD1 3.92Å; L46-I71 HydrophobicContact CB-CG2 4.25Å; L46-I71 HydrophobicContact CD2-CG2 4.18Å; F48-I71 HydrophobicContact CD2-CG1 4.12Å; F65-I71 HydrophobicContact CD1-CD1 4.37Å; F65-I71 HydrophobicContact CE1-CD1 3.61Å; F65-I71 HydrophobicContact CE1-CG1 4.12Å; F65-I71 HydrophobicContact CZ-CD1 4.01Å; I71-V73 HydrophobicContact CG2-CG2 4.44Å
72M84.5Confident72.4Confident102 Ų10278.3 Ų78.350%0.50242%0.417SS..EExtended strand (participates in β ladder)trans-86.4129169.9-73.3-177.772.600109.3I6 I47I6-M72 HydrophobicContact CB-CG 4.37Å; I47-M72 HydrophobicContact CB-CB 4.18Å; I47-M72 PolarHBondContact N-O 2.86Å; I47-M72 PolarHBondContact O-N 3.14Å
73V84.3Confident72.5Confident4 Ų478.4 Ų78.42%0.02441%0.411CS..EExtended strand (participates in β ladder)trans-106.1118.5176.9-175.80000107.6I5 I6 Y7 V33 I37 L44 L46 I71I5-V73 HydrophobicContact CG2-CB 4.48Å; I5-V73 HydrophobicContact CG2-CG2 3.46Å; I5-V73 VanDerWaalsContact CG2-CG2 3.46Å; I6-V73 PolarHBondContact O-N 3.46Å; Y7-V73 HydrophobicContact CD2-CB 4.07Å; Y7-V73 HydrophobicContact CD2-CG1 3.98Å; Y7-V73 WeakPolarHBondContact CD2-O 3.35Å; V33-V73 HydrophobicContact CG1-CB 4.45Å; V33-V73 HydrophobicContact CG1-CG1 3.92Å; V33-V73 HydrophobicContact CG1-CG2 3.73Å; I37-V73 HydrophobicContact CD1-CB 4.05Å; I37-V73 HydrophobicContact CD1-CG1 3.8Å; I37-V73 HydrophobicContact CD1-CG2 4.14Å; L44-V73 HydrophobicContact CD2-CG1 3.6Å; L46-V73 HydrophobicContact CD2-CB 4.36Å; L46-V73 HydrophobicContact CD2-CG1 4.16Å; L46-V73 HydrophobicContact CD2-CG2 3.64Å; I71-V73 HydrophobicContact CG2-CG2 4.44Å
74L75.3Confident73Confident92 Ų9278.1 Ų78.148%0.48241%0.409SS..EExtended strand (participates in β ladder)trans-108.9116.9169.8-72.8165.1000106.9K45 I47K45-L74 CarbonylContact C-O 3.55Å; K45-L74 VanDerWaalsContact CA-O 3.31Å; K45-L74 WeakPolarHBondContact CA-O 3.43Å; K45-L74 HydrophobicContact CB-CB 4.27Å; K45-L74 VanDerWaalsContact CB-O 3.25Å; K45-L74 WeakPolarHBondContact CB-O 3.47Å; K45-L74 PolarHBondContact N-O 3.03Å; K45-L74 PolarHBondContact O-N 3.3Å; K45-L74 VanDerWaalsContact O-O 3.11Å; I47-L74 HydrophobicContact CD1-CD1 3.34Å; I47-L74 HydrophobicContact CD1-CG 4.45Å; I47-L74 HydrophobicContact CG1-CD1 4.16Å
75G68.1Low73.4Confident20 Ų2074.1 Ų74.121%0.20639%0.393CS..EExtended strand (participates in β ladder)trans-158.8143.7174.800000110.1Y7 N43 Q77Y7-G75 WeakPolarHBondContact CE2-O 3.43Å; Y7-G75 PolarHBondContact OH-O 3.5Å; N43-G75 WeakPolarHBondContact O-CA 3.38Å; G75-Q77 PolarHBondContact O-N 3.39Å
76K57.4Low73.8Confident174 Ų17476 Ų7676%0.75741%0.409SS*.PPolyproline II helixtrans-76.8118.6166.1-67-178.7-178.4178.50105N43N43-K76 WeakPolarHBondContact CB-O 3.48Å
77Q53.6Low74.3Confident84 Ų8471.1 Ų71.139%0.39339%0.388SS..PPolyproline II helixtrans-49.9144.4158.6-80.8-179.7-34.200107I37 G75I37-Q77 PolarHBondContact O-NE2 3.29Å; G75-Q77 PolarHBondContact O-N 3.39Å
78P51.5Low74.9Confident47 Ų4769.4 Ų69.431%0.30537%0.372SS..SBendtrans-46.2136.9171.921.7-32.5000107V80P78-V80 VanDerWaalsContact C-N 3.32Å; P78-V80 WeakPolarHBondContact O-CA 3.4Å; P78-V80 PolarHBondContact O-N 3.08Å
79P50.8Low75.7Confident117 Ų11773.7 Ų73.776%0.7638%0.378SS*.  trans-50.2105.1-172.920.6-31.5000106.6N81P79-N81 PolarHBondContact O-N 3.26Å
80V56.5Low76.1Confident68 Ų6876 Ų7641%0.41239%0.385SS..  trans-62.9112.2-171-175.20000103.6P78 T82 Q85P78-V80 VanDerWaalsContact C-N 3.32Å; P78-V80 WeakPolarHBondContact O-CA 3.4Å; P78-V80 PolarHBondContact O-N 3.08Å; V80-T82 VanDerWaalsContact C-N 3.28Å; V80-T82 WeakPolarHBondContact O-CA 3.31Å; V80-T82 PolarHBondContact O-N 2.87Å; V80-T82 PolarHBondContact O-OG1 3.5Å; V80-Q85 HydrophobicContact CG1-CG 3.88Å
81N69.2Low76.6Confident47 Ų4768 Ų6825%0.25136%0.355SS..  trans-37.598-164178.3-5.9000109.2P79 E83 L84 Q85 S160P79-N81 PolarHBondContact O-N 3.26Å; N81-E83 PolarHBondContact O-N 3.12Å; N81-E83 VanDerWaalsContact O-N 3.15Å; N81-E83 WeakPolarHBondContact OD1-CB 3.05Å; N81-E83 PolarHBondContact OD1-N 3.2Å; N81-L84 HydrophobicContact CB-CB 3.74Å; N81-L84 WeakPolarHBondContact O-CA 3.47Å; N81-L84 WeakPolarHBondContact O-CB 3.36Å; N81-L84 PolarHBondContact O-N 2.72Å; N81-L84 PolarHBondContact OD1-N 2.65Å; N81-Q85 PolarHBondContact O-N 3.36Å; N81-S160 WeakPolarHBondContact ND2-CB 3.48Å; N81-S160 PolarHBondContact ND2-O 3.4Å; N81-S160 PolarHBondContact ND2-OG 2.9Å
82T76.6Confident77Confident96 Ų9670.4 Ų70.459%0.58938%0.375SS*.Hα-helixtrans-64.5-31.8-161.8-53.80000108.7V80 S86V80-T82 VanDerWaalsContact C-N 3.28Å; V80-T82 WeakPolarHBondContact O-CA 3.31Å; V80-T82 PolarHBondContact O-N 2.87Å; V80-T82 PolarHBondContact O-OG1 3.5Å; T82-S86 WeakPolarHBondContact O-CB 3.36Å; T82-S86 PolarHBondContact O-N 2.99Å; T82-S86 PolarHBondContact O-OG 2.94Å
83E80.9Confident77.4Confident98 Ų9870.1 Ų70.146%0.45837%0.374SS..Hα-helixtrans-59.5-55.8169.9-164.556.8-139.500110.6N81 Q85 S86 Q87 L161N81-E83 PolarHBondContact O-N 3.12Å; N81-E83 VanDerWaalsContact O-N 3.15Å; N81-E83 WeakPolarHBondContact OD1-CB 3.05Å; N81-E83 PolarHBondContact OD1-N 3.2Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q85 PolarHBondContact O-N 2.94Å; E83-S86 PolarHBondContact O-N 3.06Å; E83-Q87 HydrophobicContact CG-CG 4.44Å; E83-Q87 VanDerWaalsContact O-CG 3.27Å; E83-Q87 WeakPolarHBondContact O-CG 3.14Å; E83-Q87 PolarHBondContact O-N 3.3Å; E83-Q87 PolarHBondContact OE1-NE2 3.01Å; E83-L161 HydrophobicContact CB-CD2 4.42Å; E83-L161 HydrophobicContact CG-CD1 4.26Å; E83-L161 HydrophobicContact CG-CD2 4.25Å
84L84.2Confident77.9Confident31 Ų3170 Ų7016%0.16237%0.373CS..Hα-helixtrans-53.3-48.3177179.859.7000112.2N81 S86 Q87 M88 L161 N163 A164N81-L84 HydrophobicContact CB-CB 3.74Å; N81-L84 WeakPolarHBondContact O-CA 3.47Å; N81-L84 WeakPolarHBondContact O-CB 3.36Å; N81-L84 PolarHBondContact O-N 2.72Å; N81-L84 PolarHBondContact OD1-N 2.65Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.44Å; L84-Q87 PolarHBondContact O-N 3.03Å; L84-M88 HydrophobicContact CD1-CG 3.76Å; L84-M88 HydrophobicContact CD1-SD 4.34Å; L84-M88 HydrophobicContact CG-CG 4.16Å; L84-M88 WeakPolarHBondContact O-CB 3.47Å; L84-M88 WeakPolarHBondContact O-CG 3.34Å; L84-M88 PolarHBondContact O-N 3.2Å; L84-L161 VanDerWaalsContact CA-CD2 3.45Å; L84-L161 HydrophobicContact CB-CD2 3.69Å; L84-L161 HydrophobicContact CD1-CD2 4Å; L84-L161 HydrophobicContact CG-CD2 4.45Å; L84-N163 HydrophobicContact CD1-CB 4.33Å; L84-A164 HydrophobicContact CD1-CB 3.9Å
85Q84.5Confident78.9Confident79 Ų7967.8 Ų67.837%0.36936%0.361SS..Hα-helixtrans-60.6-42.8178.5-88.3-164.726.600112.4V80 N81 E83 M88 K89V80-Q85 HydrophobicContact CG1-CG 3.88Å; N81-Q85 PolarHBondContact O-N 3.36Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q85 PolarHBondContact O-N 2.94Å; Q85-M88 PolarHBondContact O-N 3.44Å; Q85-K89 WeakPolarHBondContact O-CB 3.46Å; Q85-K89 VanDerWaalsContact O-CG 3.28Å; Q85-K89 WeakPolarHBondContact O-CG 3.42Å; Q85-K89 PolarHBondContact O-N 2.93Å
86S87.1Confident80.2Confident61 Ų6174.1 Ų74.143%0.42738%0.382SS..Hα-helixtrans-65.4-45-179.4-58.50000110.6T82 E83 L84 K89 Y90T82-S86 WeakPolarHBondContact O-CB 3.36Å; T82-S86 PolarHBondContact O-N 2.99Å; T82-S86 PolarHBondContact O-OG 2.94Å; E83-S86 PolarHBondContact O-N 3.06Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 3.44Å; S86-K89 PolarHBondContact O-N 3.07Å; S86-Y90 PolarHBondContact O-N 3.2Å
87Q88.7Confident81.9Confident29 Ų2969.3 Ų69.314%0.13637%0.365CS..Hα-helixtrans-63.7-44.5176.1-63.2-58.1-2100111.9E83 L84 K89 Y90 L91 L156 A164E83-Q87 HydrophobicContact CG-CG 4.44Å; E83-Q87 VanDerWaalsContact O-CG 3.27Å; E83-Q87 WeakPolarHBondContact O-CG 3.14Å; E83-Q87 PolarHBondContact O-N 3.3Å; E83-Q87 PolarHBondContact OE1-NE2 3.01Å; L84-Q87 PolarHBondContact O-N 3.03Å; Q87-K89 PolarHBondContact O-N 3.23Å; Q87-Y90 PolarHBondContact O-N 2.9Å; Q87-L91 WeakPolarHBondContact O-CG 3.48Å; Q87-L91 PolarHBondContact O-N 3.35Å; Q87-L156 HydrophobicContact CB-CD2 4.16Å; Q87-L156 HydrophobicContact CG-CD2 3.91Å; Q87-A164 HydrophobicContact CB-CB 4.27Å
88M90.5Very high83.8Confident67 Ų6770.1 Ų70.133%0.3336%0.364SS..Hα-helixtrans-63.2-40.9176.7-69.7-13077.300112.1L84 Q85 L91 A92 N163 K167L84-M88 HydrophobicContact CD1-CG 3.76Å; L84-M88 HydrophobicContact CD1-SD 4.34Å; L84-M88 HydrophobicContact CG-CG 4.16Å; L84-M88 WeakPolarHBondContact O-CB 3.47Å; L84-M88 WeakPolarHBondContact O-CG 3.34Å; L84-M88 PolarHBondContact O-N 3.2Å; Q85-M88 PolarHBondContact O-N 3.44Å; M88-L91 PolarHBondContact O-N 3.12Å; M88-A92 WeakPolarHBondContact O-CB 3.36Å; M88-A92 PolarHBondContact O-N 3.39Å; M88-N163 HydrophobicContact SD-CB 4.4Å; M88-K167 HydrophobicContact CE-CB 3.91Å; M88-K167 HydrophobicContact CE-CG 4.06Å
89K91.4Very high86Confident133 Ų13368 Ų6858%0.57835%0.35SS*.Hα-helixtrans-62.2-44174.6-77.8175.3-176.3174.10111.3Q85 S86 Q87 A92 I93Q85-K89 WeakPolarHBondContact O-CB 3.46Å; Q85-K89 VanDerWaalsContact O-CG 3.28Å; Q85-K89 WeakPolarHBondContact O-CG 3.42Å; Q85-K89 PolarHBondContact O-N 2.93Å; S86-K89 PolarHBondContact O-N 3.07Å; Q87-K89 PolarHBondContact O-N 3.23Å; K89-A92 WeakPolarHBondContact O-CB 3.41Å; K89-A92 PolarHBondContact O-N 3.38Å; K89-I93 WeakPolarHBondContact O-CG1 3.35Å; K89-I93 PolarHBondContact O-N 3.39Å
90Y92.8Very high88.1Confident80 Ų8063.3 Ų63.331%0.31432%0.323SS..Hα-helixtrans-62.4-45.5177.3-177.4-106.6000112S86 Q87 A92 I93 I94 L154S86-Y90 PolarHBondContact O-N 3.2Å; Q87-Y90 PolarHBondContact O-N 2.9Å; Y90-A92 VanDerWaalsContact C-N 3.3Å; Y90-A92 PolarHBondContact O-N 3.06Å; Y90-I93 WeakPolarHBondContact O-CB 3.33Å; Y90-I93 PolarHBondContact O-N 3.44Å; Y90-I93 VanDerWaalsContact O-N 3.15Å; Y90-I94 HydrophobicContact CD1-CD1 3.94Å; Y90-I94 HydrophobicContact CE1-CD1 3.34Å; Y90-I94 HydrophobicContact CE1-CG1 4.16Å; Y90-I94 PolarHBondContact O-N 2.89Å; Y90-L154 HydrophobicContact CD1-CD1 3.94Å; Y90-L154 HydrophobicContact CD1-CD2 3.81Å; Y90-L154 HydrophobicContact CD1-CG 4.45Å; Y90-L154 HydrophobicContact CE1-CD1 4.12Å; Y90-L154 HydrophobicContact CE1-CD2 3.74Å; Y90-L154 HydrophobicContact CE1-CG 4.33Å
91L94.4Very high90Very high0 Ų065.7 Ų65.70%033%0.328CS..Hα-helixtrans-60.8-37.8175-69.2171.4000112.3Q87 M88 I93 I94 E95 L154 A164 K167 R168 L171Q87-L91 WeakPolarHBondContact O-CG 3.48Å; Q87-L91 PolarHBondContact O-N 3.35Å; M88-L91 PolarHBondContact O-N 3.12Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I94 PolarHBondContact O-N 3.07Å; L91-E95 WeakPolarHBondContact O-CB 3.28Å; L91-E95 PolarHBondContact O-N 3.24Å; L91-L154 HydrophobicContact CD2-CD1 3.63Å; L91-L154 HydrophobicContact CG-CD1 4.22Å; L91-A164 HydrophobicContact CD1-CB 4.15Å; L91-A164 WeakPolarHBondContact CD1-O 3.35Å; L91-K167 HydrophobicContact CB-CG 4.23Å; L91-K167 HydrophobicContact CD1-CB 4.05Å; L91-K167 HydrophobicContact CD1-CG 4.11Å; L91-R168 HydrophobicContact CD1-CB 4.47Å; L91-R168 HydrophobicContact CD2-CB 4.23Å; L91-L171 HydrophobicContact CB-CD1 4.14Å; L91-L171 HydrophobicContact CD2-CD1 4.23Å; L91-L171 WeakPolarHBondContact O-CD1 3.49Å
92A94.1Very high91.2Very high50 Ų5063.9 Ų63.941%0.41332%0.318SS..Hα-helixtrans-65.6-36.6175.800000112.5M88 K89 Y90 E95 K96M88-A92 WeakPolarHBondContact O-CB 3.36Å; M88-A92 PolarHBondContact O-N 3.39Å; K89-A92 WeakPolarHBondContact O-CB 3.41Å; K89-A92 PolarHBondContact O-N 3.38Å; Y90-A92 VanDerWaalsContact C-N 3.3Å; Y90-A92 PolarHBondContact O-N 3.06Å; A92-E95 PolarHBondContact O-N 3.26Å; A92-K96 PolarHBondContact O-N 3.05Å; A92-K96 VanDerWaalsContact O-N 3.1Å
93I94.3Very high92.2Very high95 Ų9559.8 Ų59.849%0.48730%0.296SS..Hα-helixtrans-65.6-46.1173.7-66.9165.2000110K89 Y90 L91 E95 K96 D97K89-I93 WeakPolarHBondContact O-CG1 3.35Å; K89-I93 PolarHBondContact O-N 3.39Å; Y90-I93 WeakPolarHBondContact O-CB 3.33Å; Y90-I93 PolarHBondContact O-N 3.44Å; Y90-I93 VanDerWaalsContact O-N 3.15Å; L91-I93 VanDerWaalsContact C-N 3.34Å; I93-E95 VanDerWaalsContact C-N 3.32Å; I93-E95 PolarHBondContact O-N 2.96Å; I93-K96 PolarHBondContact O-N 3.26Å; I93-D97 HydrophobicContact CG2-CB 4.46Å; I93-D97 WeakPolarHBondContact O-CB 3.35Å; I93-D97 PolarHBondContact O-N 3.34Å
94I95Very high92.9Very high1 Ų162.3 Ų62.31%0.00530%0.301CS..Iπ-helixtrans-56.7-47.8175.9-72.3-178.8000111Y90 L91 K96 R98 I99 T147 M151Y90-I94 HydrophobicContact CD1-CD1 3.94Å; Y90-I94 HydrophobicContact CE1-CD1 3.34Å; Y90-I94 HydrophobicContact CE1-CG1 4.16Å; Y90-I94 PolarHBondContact O-N 2.89Å; L91-I94 PolarHBondContact O-N 3.07Å; I94-K96 PolarHBondContact O-N 2.9Å; I94-R98 WeakPolarHBondContact O-CA 3.41Å; I94-R98 WeakPolarHBondContact O-CB 3.31Å; I94-R98 PolarHBondContact O-N 3.45Å; I94-I99 HydrophobicContact CG2-CD1 4.12Å; I94-I99 HydrophobicContact CG2-CG1 4.23Å; I94-I99 PolarHBondContact O-N 3.08Å; I94-T147 HydrophobicContact CG2-CG2 3.7Å; I94-M151 HydrophobicContact CD1-CG 3.75Å; I94-M151 HydrophobicContact CG2-CG 4.21Å; I94-M151 HydrophobicContact CG2-SD 3.91Å
95E95.6Very high93.5Very high47 Ų4766.2 Ų66.222%0.2232%0.317CS..Iπ-helixtrans-57.5-49.4-180-179.1172.3-150.800112.1L91 A92 I93 G100 K167 L171 R174L91-E95 WeakPolarHBondContact O-CB 3.28Å; L91-E95 PolarHBondContact O-N 3.24Å; A92-E95 PolarHBondContact O-N 3.26Å; I93-E95 VanDerWaalsContact C-N 3.32Å; I93-E95 PolarHBondContact O-N 2.96Å; E95-G100 PolarHBondContact O-N 3.05Å; E95-K167 IonicContact OE1-NZ 3.84Å; E95-K167 PolarHBondContact OE1-NZ 2.87Å; E95-K167 VanDerWaalsContact OE1-NZ 3.12Å; E95-K167 WeakPolarHBondContact OE2-CE 3.47Å; E95-K167 IonicContact OE2-NZ 3.5Å; E95-K167 PolarHBondContact OE2-NZ 3.38Å; E95-L171 HydrophobicContact CB-CD1 4.11Å; E95-L171 HydrophobicContact CB-CD2 3.67Å; E95-L171 HydrophobicContact CG-CD2 3.61Å; E95-R174 IonicContact OE1-NH1 2.89Å
96K94.8Very high94.1Very high153 Ų15362.6 Ų62.667%0.66530%0.3SS*.Iπ-helixtrans-75.7-49.3-175.4-171.9-177.2178.4-175.40112.5A92 I93 I94A92-K96 PolarHBondContact O-N 3.05Å; A92-K96 VanDerWaalsContact O-N 3.1Å; I93-K96 PolarHBondContact O-N 3.26Å; I94-K96 PolarHBondContact O-N 2.9Å
97D93.4Very high94.6Very high72 Ų7264.2 Ų64.239%0.38530%0.303SS..Iπ-helixtrans-93.4-25.2-165-70.1-10.9000113.3I93 K101I93-D97 HydrophobicContact CG2-CB 4.46Å; I93-D97 WeakPolarHBondContact O-CB 3.35Å; I93-D97 PolarHBondContact O-N 3.34Å; D97-K101 WeakPolarHBondContact O-CB 3.49Å; D97-K101 WeakPolarHBondContact O-CD 3.35Å; D97-K101 VanDerWaalsContact O-CE 3.31Å; D97-K101 WeakPolarHBondContact O-CE 3.42Å; D97-K101 WeakPolarHBondContact O-CG 3.34Å
98R94.6Very high94.9Very high101 Ų10167.7 Ų67.738%0.38132%0.323SS..Iπ-helixtrans-101.7-66.4176.6-58-174.9-177.3-177.70.7110.2I94 G100 K101 I102 T147 S150I94-R98 WeakPolarHBondContact O-CA 3.41Å; I94-R98 WeakPolarHBondContact O-CB 3.31Å; I94-R98 PolarHBondContact O-N 3.45Å; R98-G100 VanDerWaalsContact C-N 3.33Å; R98-G100 PolarHBondContact O-N 2.89Å; R98-K101 PolarHBondContact O-N 3.22Å; R98-I102 WeakPolarHBondContact O-CG1 3.49Å; R98-I102 PolarHBondContact O-N 3.25Å; R98-T147 HydrophobicContact CB-CG2 4.02Å; R98-S150 PolarHBondContact NH1-OG 2.92Å
99I96Very high95.1Very high2 Ų265.1 Ų65.11%0.0131%0.31CS..Iπ-helixtrans-60.9-45-175.3-57.9176.8000110.5I94 K101 I102 G103 T147 L171 R174 I175 L178I94-I99 HydrophobicContact CG2-CD1 4.12Å; I94-I99 HydrophobicContact CG2-CG1 4.23Å; I94-I99 PolarHBondContact O-N 3.08Å; I99-K101 VanDerWaalsContact C-N 3.3Å; I99-K101 PolarHBondContact O-N 3.43Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-G103 PolarHBondContact O-N 2.99Å; I99-T147 HydrophobicContact CG1-CG2 4.26Å; I99-L171 HydrophobicContact CD1-CB 3.88Å; I99-L171 HydrophobicContact CD1-CD2 4.01Å; I99-L171 HydrophobicContact CD1-CG 4.33Å; I99-R174 HydrophobicContact CG2-CG 4.09Å; I99-I175 HydrophobicContact CD1-CD1 3.77Å; I99-I175 HydrophobicContact CD1-CG1 3.69Å; I99-I175 HydrophobicContact CG1-CD1 3.92Å; I99-I175 HydrophobicContact CG1-CG1 3.72Å; I99-L178 HydrophobicContact CG2-CD1 3.89Å
100G95.6Very high95.4Very high19 Ų1959.4 Ų59.420%0.19629%0.288CS..Hα-helixtrans-65.3-25.9176.500000114.9E95 R98 R104E95-G100 PolarHBondContact O-N 3.05Å; R98-G100 VanDerWaalsContact C-N 3.33Å; R98-G100 PolarHBondContact O-N 2.89Å; G100-R104 WeakPolarHBondContact O-CG 3.39Å; G100-R104 PolarHBondContact O-NE 2.84Å
101K95.8Very high95.5Very high119 Ų11958.5 Ų58.552%0.51730%0.297SS..Hα-helixtrans-81.6-41.2174.2-73.9-172.8-163.4160.90111.7D97 R98 I99 R104 K105D97-K101 WeakPolarHBondContact O-CB 3.49Å; D97-K101 WeakPolarHBondContact O-CD 3.35Å; D97-K101 VanDerWaalsContact O-CE 3.31Å; D97-K101 WeakPolarHBondContact O-CE 3.42Å; D97-K101 WeakPolarHBondContact O-CG 3.34Å; R98-K101 PolarHBondContact O-N 3.22Å; I99-K101 VanDerWaalsContact C-N 3.3Å; I99-K101 PolarHBondContact O-N 3.43Å; K101-R104 PolarHBondContact O-N 2.74Å; K101-K105 PolarHBondContact O-N 3.07Å
102I96.1Very high95.4Very high8 Ų863.9 Ų63.94%0.04132%0.322CS..Hα-helixtrans-59-49.9175.5-67.6168.6000109.5R98 I99 R104 K105 L106 L140 D143 C144 L178R98-I102 WeakPolarHBondContact O-CG1 3.49Å; R98-I102 PolarHBondContact O-N 3.25Å; I99-I102 PolarHBondContact O-N 2.9Å; I102-R104 PolarHBondContact O-N 3.45Å; I102-K105 PolarHBondContact O-N 3.24Å; I102-L106 WeakPolarHBondContact O-CB 3.42Å; I102-L106 PolarHBondContact O-N 3.02Å; I102-L140 HydrophobicContact CG2-CD2 4.41Å; I102-D143 HydrophobicContact CD1-CB 4.07Å; I102-D143 HydrophobicContact CG1-CB 4.24Å; I102-C144 VanDerWaalsContact CG2-SG 3.54Å; I102-L178 HydrophobicContact CB-CD1 4.39Å; I102-L178 HydrophobicContact CG2-CD1 3.95Å
103G96.5Very high95.4Very high11 Ų1161.5 Ų61.511%0.11330%0.302CS..Hα-helixtrans-55.4-49.2179.100000112.7I99 K105 L106 D107I99-G103 PolarHBondContact O-N 2.99Å; G103-K105 PolarHBondContact O-N 3.34Å; G103-L106 WeakPolarHBondContact O-CB 3.48Å; G103-L106 PolarHBondContact O-N 3.45Å; G103-L106 VanDerWaalsContact O-N 3.12Å; G103-D107 VanDerWaalsContact O-CG 3.32Å; G103-D107 PolarHBondContact O-N 3.02Å
104R96.8Very high95.3Very high150 Ų15059.5 Ų59.557%0.56629%0.293SS*.Hα-helixtrans-59.8-46.4178-78.8-179.2-83.5-156.3-2.6113.2G100 K101 I102 L106 D107 D108G100-R104 WeakPolarHBondContact O-CG 3.39Å; G100-R104 PolarHBondContact O-NE 2.84Å; K101-R104 PolarHBondContact O-N 2.74Å; I102-R104 PolarHBondContact O-N 3.45Å; R104-L106 VanDerWaalsContact C-N 3.26Å; R104-L106 PolarHBondContact O-N 3.1Å; R104-D107 PolarHBondContact O-N 3.44Å; R104-D108 PolarHBondContact O-N 3.4Å
105K96Very high95.2Very high114 Ų11460.6 Ų60.650%0.49630%0.304SS..Hα-helixtrans-62.7-36.6176.5-74.3-178.1175.3-177.80111.7K101 I102 G103 D108 L109 L140K101-K105 PolarHBondContact O-N 3.07Å; I102-K105 PolarHBondContact O-N 3.24Å; G103-K105 PolarHBondContact O-N 3.34Å; K105-D108 PolarHBondContact O-N 2.95Å; K105-L109 VanDerWaalsContact O-CG 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.5Å; K105-L109 PolarHBondContact O-N 3.34Å; K105-L140 HydrophobicContact CB-CD1 3.9Å; K105-L140 HydrophobicContact CB-CD2 3.92Å; K105-L140 HydrophobicContact CD-CD2 3.78Å
106L96.7Very high95Very high2 Ų258.5 Ų58.51%0.0130%0.295CS..Hα-helixtrans-68.5-38.7179-164.163.9000111.3I102 G103 R104 L109 A110 L137 L140 L178 F181 H182 L185I102-L106 WeakPolarHBondContact O-CB 3.42Å; I102-L106 PolarHBondContact O-N 3.02Å; G103-L106 WeakPolarHBondContact O-CB 3.48Å; G103-L106 PolarHBondContact O-N 3.45Å; G103-L106 VanDerWaalsContact O-N 3.12Å; R104-L106 VanDerWaalsContact C-N 3.26Å; R104-L106 PolarHBondContact O-N 3.1Å; L106-L109 PolarHBondContact O-N 2.89Å; L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 2.87Å; L106-L137 HydrophobicContact CD1-CD2 3.82Å; L106-L140 HydrophobicContact CB-CD1 4.17Å; L106-L140 HydrophobicContact CD1-CD1 3.93Å; L106-L178 HydrophobicContact CD2-CB 4.22Å; L106-L178 HydrophobicContact CD2-CD2 4.13Å; L106-L178 WeakPolarHBondContact CD2-O 3.25Å; L106-F181 HydrophobicContact CD2-CB 4.15Å; L106-F181 HydrophobicContact CD2-CD1 3.5Å; L106-F181 VanDerWaalsContact CD2-CD1 3.5Å; L106-F181 HydrophobicContact CD2-CE1 4.32Å; L106-F181 HydrophobicContact CD2-CG 4.21Å; L106-F181 HydrophobicContact CG-CD1 3.75Å; L106-F181 HydrophobicContact CG-CE1 4.09Å; L106-H182 HydrophobicContact CD1-CB 4.06Å; L106-H182 HydrophobicContact CD2-CB 4.39Å; L106-L185 HydrophobicContact CD1-CD1 4Å; L106-L185 HydrophobicContact CG-CD1 4.22Å
107D96.8Very high94.7Very high95 Ų9552.6 Ų52.651%0.50827%0.271SS..Hα-helixtrans-62.8-43172.6-65.1-31.1000111.6G103 R104 L109 A110 A111G103-D107 VanDerWaalsContact O-CG 3.32Å; G103-D107 PolarHBondContact O-N 3.02Å; R104-D107 PolarHBondContact O-N 3.44Å; D107-L109 PolarHBondContact O-N 3.4Å; D107-A110 WeakPolarHBondContact O-CB 3.43Å; D107-A110 PolarHBondContact O-N 3.17Å; D107-A111 PolarHBondContact O-N 2.85Å; D107-A111 VanDerWaalsContact O-N 3.08Å
108D96.2Very high94.6Very high103 Ų10355.4 Ų55.455%0.55128%0.28SS*.Hα-helixtrans-61.7-44.4175.8-66.5-27.5000111.4R104 K105 A110 A111 H112R104-D108 PolarHBondContact O-N 3.4Å; K105-D108 PolarHBondContact O-N 2.95Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A111 WeakPolarHBondContact O-CB 3.47Å; D108-A111 PolarHBondContact O-N 3.29Å; D108-H112 PolarHBondContact O-CD2 2.7Å; D108-H112 PolarHBondContact O-N 3.35Å
109L95.3Very high94.1Very high12 Ų1253 Ų536%0.06329%0.286CS..Hα-helixtrans-65.7-37.6176.2-68.8175.9000111.8K105 L106 D107 A111 H112 V113 L133 Q136 L137 L140K105-L109 VanDerWaalsContact O-CG 3.31Å; K105-L109 WeakPolarHBondContact O-CG 3.5Å; K105-L109 PolarHBondContact O-N 3.34Å; L106-L109 PolarHBondContact O-N 2.89Å; D107-L109 PolarHBondContact O-N 3.4Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 3.46Å; L109-H112 WeakPolarHBondContact O-CB 3.48Å; L109-H112 PolarHBondContact O-N 3.07Å; L109-H112 VanDerWaalsContact O-N 3.09Å; L109-V113 WeakPolarHBondContact O-CG2 3.38Å; L109-V113 PolarHBondContact O-N 3.1Å; L109-L133 HydrophobicContact CD2-CD2 3.57Å; L109-Q136 HydrophobicContact CD1-CB 3.94Å; L109-Q136 HydrophobicContact CD2-CB 3.83Å; L109-Q136 HydrophobicContact CD2-CG 4.48Å; L109-L137 HydrophobicContact CB-CD2 4.3Å; L109-L137 HydrophobicContact CD1-CD2 3.87Å; L109-L137 HydrophobicContact CD1-CG 4.15Å; L109-L140 HydrophobicContact CD1-CD1 3.49Å; L109-L140 VanDerWaalsContact CD1-CD1 3.49Å; L109-L140 HydrophobicContact CD1-CG 4.42Å
110A96Very high93.4Very high14 Ų1460.8 Ų60.812%0.11632%0.321CS..Hα-helixtrans-58.4-42.7174.900000111.5L106 D107 D108 H112 V113 D114 F181 L185L106-A110 WeakPolarHBondContact O-CB 3.42Å; L106-A110 PolarHBondContact O-N 2.87Å; D107-A110 WeakPolarHBondContact O-CB 3.43Å; D107-A110 PolarHBondContact O-N 3.17Å; D108-A110 VanDerWaalsContact C-N 3.34Å; A110-H112 VanDerWaalsContact C-N 3.3Å; A110-H112 PolarHBondContact O-N 3.28Å; A110-V113 PolarHBondContact O-N 3.27Å; A110-D114 WeakPolarHBondContact O-CB 3.44Å; A110-D114 PolarHBondContact O-N 3.15Å; A110-F181 HydrophobicContact CB-CE1 4.14Å; A110-F181 HydrophobicContact CB-CZ 3.66Å; A110-L185 HydrophobicContact CB-CD1 3.8Å; A110-L185 HydrophobicContact CB-CD2 3.76Å; A110-L185 HydrophobicContact CB-CG 4.42Å
111A94.9Very high92.9Very high60 Ų6063.3 Ų63.350%0.49633%0.328SS..Hα-helixtrans-62.8-36.5175.400000112.3D107 D108 L109 D114 G115D107-A111 PolarHBondContact O-N 2.85Å; D107-A111 VanDerWaalsContact O-N 3.08Å; D108-A111 WeakPolarHBondContact O-CB 3.47Å; D108-A111 PolarHBondContact O-N 3.29Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 3.46Å; A111-D114 PolarHBondContact O-N 3.11Å; A111-G115 PolarHBondContact O-N 3.46Å
112H92.9Very high92.4Very high113 Ų11360.3 Ų60.352%0.52333%0.326SS..Hα-helixtrans-68.9-42.2175.5-72.3-151.5000112.1D108 L109 A110 D114 G115 I116 L133D108-H112 PolarHBondContact O-CD2 2.7Å; D108-H112 PolarHBondContact O-N 3.35Å; L109-H112 WeakPolarHBondContact O-CB 3.48Å; L109-H112 PolarHBondContact O-N 3.07Å; L109-H112 VanDerWaalsContact O-N 3.09Å; A110-H112 VanDerWaalsContact C-N 3.3Å; A110-H112 PolarHBondContact O-N 3.28Å; H112-D114 VanDerWaalsContact C-N 3.33Å; H112-D114 PolarHBondContact O-N 2.89Å; H112-G115 PolarHBondContact O-N 3.48Å; H112-I116 WeakPolarHBondContact O-CG1 3.33Å; H112-I116 PolarHBondContact O-N 3.37Å; H112-L133 HydrophobicContact CB-CD1 4.23Å; H112-L133 HydrophobicContact CB-CD2 3.73Å
113V94.2Very high91.8Very high0 Ų064.3 Ų64.30%035%0.347CS..Hα-helixtrans-59.4-45.6173.9173.60000110.3L109 A110 G115 I116 T117 L133 L185 L189L109-V113 WeakPolarHBondContact O-CG2 3.38Å; L109-V113 PolarHBondContact O-N 3.1Å; A110-V113 PolarHBondContact O-N 3.27Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.36Å; V113-I116 PolarHBondContact O-N 3.15Å; V113-T117 HydrophobicContact CG1-CG2 4.28Å; V113-T117 WeakPolarHBondContact O-CB 3.47Å; V113-T117 WeakPolarHBondContact O-CG2 3.48Å; V113-T117 PolarHBondContact O-N 3.2Å; V113-T117 PolarHBondContact O-OG1 2.93Å; V113-L133 HydrophobicContact CG2-CD1 4.15Å; V113-L185 HydrophobicContact CB-CD2 4.44Å; V113-L185 HydrophobicContact CG1-CD2 4.46Å; V113-L189 HydrophobicContact CB-CD1 4.43Å; V113-L189 HydrophobicContact CG1-CD1 4.2Å; V113-L189 HydrophobicContact CG2-CD1 3.8Å
114D93.2Very high91.4Very high53 Ų5368.7 Ų68.728%0.28338%0.376SS..Hα-helixtrans-58.8-42.3174-92.5-10.4000112.4A110 A111 H112 T117 K118 R188A110-D114 WeakPolarHBondContact O-CB 3.44Å; A110-D114 PolarHBondContact O-N 3.15Å; A111-D114 PolarHBondContact O-N 3.11Å; H112-D114 VanDerWaalsContact C-N 3.33Å; H112-D114 PolarHBondContact O-N 2.89Å; D114-T117 PolarHBondContact O-OG1 3.15Å; D114-K118 WeakPolarHBondContact O-CB 3.15Å; D114-K118 VanDerWaalsContact O-CG 3.28Å; D114-K118 WeakPolarHBondContact O-CG 3.5Å; D114-K118 PolarHBondContact O-N 3.25Å; D114-K118 VanDerWaalsContact O-N 3.13Å; D114-R188 IonicContact OD1-CZ 3.07Å; D114-R188 IonicContact OD1-NH1 2.65Å; D114-R188 PolarHBondContact OD1-NH1 3.37Å; D114-R188 IonicContact OD1-NH2 2.72Å; D114-R188 PolarHBondContact OD1-NH2 2.83Å
115G92.3Very high91.1Very high24 Ų2465.9 Ų65.925%0.24737%0.372CS..Hα-helixtrans-60-46.217800000112.8A111 H112 V113 F120A111-G115 PolarHBondContact O-N 3.46Å; H112-G115 PolarHBondContact O-N 3.48Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.36Å; G115-F120 WeakPolarHBondContact O-CB 3.33Å; G115-F120 WeakPolarHBondContact O-CD2 3.38Å; G115-F120 PolarHBondContact O-N 3.5Å
116I91.5Very high90.8Very high4 Ų460.5 Ų60.52%0.02135%0.349CS..Hα-helixtrans-69.1-49.3179.6-66.4177.1000110.9H112 V113 K118 G119 M121 V126 A129 V130 L133 Y192H112-I116 WeakPolarHBondContact O-CG1 3.33Å; H112-I116 PolarHBondContact O-N 3.37Å; V113-I116 PolarHBondContact O-N 3.15Å; I116-K118 PolarHBondContact O-N 2.99Å; I116-G119 PolarHBondContact O-N 2.99Å; I116-M121 HydrophobicContact CD1-CE 4.13Å; I116-M121 HydrophobicContact CD1-SD 4.46Å; I116-M121 HydrophobicContact CG1-CE 3.72Å; I116-M121 HydrophobicContact CG1-SD 4.21Å; I116-V126 HydrophobicContact CG2-CG1 3.83Å; I116-A129 HydrophobicContact CD1-CB 3.66Å; I116-V130 HydrophobicContact CD1-CG2 4.37Å; I116-V130 HydrophobicContact CG2-CG2 4.19Å; I116-L133 HydrophobicContact CD1-CD1 3.41Å; I116-L133 VanDerWaalsContact CD1-CD1 3.41Å; I116-Y192 HydrophobicContact CG2-CD1 4.29Å; I116-Y192 HydrophobicContact CG2-CE1 3.73Å; I116-Y192 PolarHBondContact O-OH 3.17Å
117T88.9Confident90.5Very high28 Ų2864.1 Ų64.117%0.17237%0.368CS..Hα-helixtrans-65.9-20.8-176.2540000113.5V113 D114 G119 R188 Y192V113-T117 HydrophobicContact CG1-CG2 4.28Å; V113-T117 WeakPolarHBondContact O-CB 3.47Å; V113-T117 WeakPolarHBondContact O-CG2 3.48Å; V113-T117 PolarHBondContact O-N 3.2Å; V113-T117 PolarHBondContact O-OG1 2.93Å; D114-T117 PolarHBondContact O-OG1 3.15Å; T117-G119 VanDerWaalsContact C-N 3.34Å; T117-R188 HydrophobicContact CG2-CG 4.45Å; T117-R188 PolarHBondContact OG1-NH2 3.04Å; T117-Y192 HydrophobicContact CG2-CD1 4.29Å; T117-Y192 HydrophobicContact CG2-CD2 4.17Å; T117-Y192 HydrophobicContact CG2-CG 3.86Å
118K89.7Confident90.3Very high131 Ų13166.2 Ų66.257%0.5738%0.375SS*.THydrogen-bonded Turntrans-86.80.9173-70.9174-178.3170.10114.1D114 I116 F120D114-K118 WeakPolarHBondContact O-CB 3.15Å; D114-K118 VanDerWaalsContact O-CG 3.28Å; D114-K118 WeakPolarHBondContact O-CG 3.5Å; D114-K118 PolarHBondContact O-N 3.25Å; D114-K118 VanDerWaalsContact O-N 3.13Å; I116-K118 PolarHBondContact O-N 2.99Å; K118-F120 HydrophobicContact CB-CD2 3.68Å; K118-F120 HydrophobicContact CB-CE2 3.47Å; K118-F120 VanDerWaalsContact CB-CE2 3.47Å; K118-F120 HydrophobicContact CB-CZ 4.32Å; K118-F120 HydrophobicContact CD-CE2 3.8Å; K118-F120 HydrophobicContact CG-CE2 4.28Å
119G84.3Confident90.2Very high50 Ų5062.4 Ų62.452%0.51536%0.357SS..THydrogen-bonded Turntrans77.621.3176.300000114.8I116 T117 M121I116-G119 PolarHBondContact O-N 2.99Å; T117-G119 VanDerWaalsContact C-N 3.34Å; G119-M121 PolarHBondContact O-N 3.27Å; G119-M121 VanDerWaalsContact O-N 3.16Å
120F82Confident90.1Very high167 Ų16762 Ų6273%0.73236%0.355SS*.  trans-74.64.1177-65.4-64.6000114G115 K118G115-F120 WeakPolarHBondContact O-CB 3.33Å; G115-F120 WeakPolarHBondContact O-CD2 3.38Å; G115-F120 PolarHBondContact O-N 3.5Å; K118-F120 HydrophobicContact CB-CD2 3.68Å; K118-F120 HydrophobicContact CB-CE2 3.47Å; K118-F120 VanDerWaalsContact CB-CE2 3.47Å; K118-F120 HydrophobicContact CB-CZ 4.32Å; K118-F120 HydrophobicContact CD-CE2 3.8Å; K118-F120 HydrophobicContact CG-CE2 4.28Å
121M84.3Confident90Very high71 Ų7166.5 Ų66.535%0.3537%0.374SS..SBendtrans-122.4143.4-174.4-164.9175.5-7000110.9I116 G119 L125 V126 A129I116-M121 HydrophobicContact CD1-CE 4.13Å; I116-M121 HydrophobicContact CD1-SD 4.46Å; I116-M121 HydrophobicContact CG1-CE 3.72Å; I116-M121 HydrophobicContact CG1-SD 4.21Å; G119-M121 PolarHBondContact O-N 3.27Å; G119-M121 VanDerWaalsContact O-N 3.16Å; M121-L125 HydrophobicContact CG-CB 4.14Å; M121-L125 HydrophobicContact SD-CB 4.19Å; M121-V126 HydrophobicContact CB-CG2 4.25Å; M121-V126 HydrophobicContact CG-CG2 4.39Å; M121-A129 HydrophobicContact CE-CB 3.91Å; M121-A129 HydrophobicContact SD-CB 3.47Å; M121-A129 WeakPolarHBondContact SD-CB 3.28Å
122A86.2Confident90Very high57 Ų5771.8 Ų71.847%0.47138%0.381SS..  trans-63.7139.7177.300000111.5S124 L125 V126A122-S124 PolarHBondContact O-N 3.34Å; A122-L125 HydrophobicContact CB-CD1 4.41Å; A122-L125 PolarHBondContact O-N 2.9Å; A122-V126 PolarHBondContact O-N 2.95Å
123D83.8Confident90.1Very high91 Ų9166.7 Ų66.749%0.48736%0.358SS..THydrogen-bonded Turntrans-54.6-31.2-172.4-122.845.1000114.7R196 R200D123-R196 IonicContact OD1-CZ 3.53Å; D123-R196 IonicContact OD1-NH2 2.81Å; D123-R196 PolarHBondContact OD1-NH2 3.09Å; D123-R196 IonicContact OD2-CZ 3.92Å; D123-R196 IonicContact OD2-NH2 2.74Å; D123-R196 PolarHBondContact OD2-NH2 3.33Å; D123-R200 IonicContact OD2-NH2 3.18Å; D123-R200 PolarHBondContact OD2-NH2 3Å
124S86.8Confident90.1Very high103 Ų10370.6 Ų70.672%0.7237%0.373SS*.THydrogen-bonded Turntrans-74.1-24178.454.20000114A122A122-S124 PolarHBondContact O-N 3.34Å
125L90.7Very high90.2Very high92 Ų9274.5 Ų74.548%0.48239%0.387SS..THydrogen-bonded Turntrans-97.9-16.3-174.5-63.2177000113.2M121 A122 N127 E128 A129M121-L125 HydrophobicContact CG-CB 4.14Å; M121-L125 HydrophobicContact SD-CB 4.19Å; A122-L125 HydrophobicContact CB-CD1 4.41Å; A122-L125 PolarHBondContact O-N 2.9Å; L125-N127 PolarHBondContact O-N 3.45Å; L125-E128 PolarHBondContact O-N 3.14Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.12Å
126V91Very high90.4Very high1 Ų177.2 Ų77.21%0.00639%0.393CS..Hα-helixtrans-60.6-44.1-173.2175.30000112.2I116 M121 A122 E128 A129 V130 Y192 M193I116-V126 HydrophobicContact CG2-CG1 3.83Å; M121-V126 HydrophobicContact CB-CG2 4.25Å; M121-V126 HydrophobicContact CG-CG2 4.39Å; A122-V126 PolarHBondContact O-N 2.95Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 2.99Å; V126-A129 PolarHBondContact O-N 3.08Å; V126-V130 HydrophobicContact CG1-CG2 3.89Å; V126-V130 WeakPolarHBondContact O-CB 3.18Å; V126-V130 VanDerWaalsContact O-CG2 3.22Å; V126-V130 WeakPolarHBondContact O-CG2 3.32Å; V126-V130 PolarHBondContact O-N 3.04Å; V126-Y192 HydrophobicContact CG1-CE1 3.99Å; V126-M193 HydrophobicContact CG1-SD 4.22Å
127N90.6Very high90.6Very high78 Ų7877 Ų7742%0.41739%0.392SS..Hα-helixtrans-60.2-44.5-177.3-69-0.1000111.7L125 E131 M193L125-N127 PolarHBondContact O-N 3.45Å; N127-E131 PolarHBondContact O-N 3.35Å; N127-M193 WeakPolarHBondContact OD1-CE 3.42Å
128E92.4Very high90.9Very high139 Ų13979.6 Ų79.665%0.6541%0.405SS*.Hα-helixtrans-65.8-43.3177.6-172.5-174164.700111.3L125 V126 V130 E131 R132L125-E128 PolarHBondContact O-N 3.14Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 2.99Å; E128-V130 PolarHBondContact O-N 2.96Å; E128-E131 PolarHBondContact O-N 3.47Å; E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 PolarHBondContact O-N 2.68Å
129A92.9Very high91.2Very high22 Ų2274.7 Ų74.718%0.18239%0.392CS..Hα-helixtrans-63.6-42.417900000112I116 M121 L125 V126 R132 L133I116-A129 HydrophobicContact CD1-CB 3.66Å; M121-A129 HydrophobicContact CE-CB 3.91Å; M121-A129 HydrophobicContact SD-CB 3.47Å; M121-A129 WeakPolarHBondContact SD-CB 3.28Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.12Å; V126-A129 PolarHBondContact O-N 3.08Å; A129-R132 PolarHBondContact O-N 3.48Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 WeakPolarHBondContact O-CG 3.4Å; A129-L133 PolarHBondContact O-N 3.35Å
130V93.2Very high91.7Very high4 Ų472.8 Ų72.82%0.02437%0.369CS..Hα-helixtrans-62.8-46.2175.2164.40000110.6I116 V126 E128 R132 L133 R134 L189 M193I116-V130 HydrophobicContact CD1-CG2 4.37Å; I116-V130 HydrophobicContact CG2-CG2 4.19Å; V126-V130 HydrophobicContact CG1-CG2 3.89Å; V126-V130 WeakPolarHBondContact O-CB 3.18Å; V126-V130 VanDerWaalsContact O-CG2 3.22Å; V126-V130 WeakPolarHBondContact O-CG2 3.32Å; V126-V130 PolarHBondContact O-N 3.04Å; E128-V130 PolarHBondContact O-N 2.96Å; V130-R132 VanDerWaalsContact C-N 3.3Å; V130-R132 PolarHBondContact O-N 3.27Å; V130-L133 PolarHBondContact O-N 2.95Å; V130-R134 WeakPolarHBondContact O-CG 3.33Å; V130-R134 PolarHBondContact O-N 3.24Å; V130-L189 HydrophobicContact CB-CD2 4.19Å; V130-L189 HydrophobicContact CG1-CD2 3.42Å; V130-L189 VanDerWaalsContact CG1-CD2 3.42Å; V130-L189 HydrophobicContact CG1-CG 4.07Å; V130-L189 HydrophobicContact CG2-CD1 4.33Å; V130-L189 HydrophobicContact CG2-CD2 4.4Å; V130-L189 HydrophobicContact CG2-CG 4.31Å; V130-M193 HydrophobicContact CB-CG 4.45Å; V130-M193 HydrophobicContact CB-SD 4.16Å; V130-M193 HydrophobicContact CG1-CE 4.46Å; V130-M193 HydrophobicContact CG1-CG 3.59Å; V130-M193 HydrophobicContact CG1-SD 3.89Å; V130-M193 HydrophobicContact CG2-CG 4.2Å; V130-M193 HydrophobicContact CG2-SD 3.75Å
131E93.8Very high92.3Very high109 Ų10966.5 Ų66.551%0.50935%0.346SS..Hα-helixtrans-62.3-39.9178.2-162-168.3144.300111.5N127 E128 R134 K135N127-E131 PolarHBondContact O-N 3.35Å; E128-E131 PolarHBondContact O-N 3.47Å; E131-R134 PolarHBondContact O-N 2.92Å; E131-K135 WeakPolarHBondContact O-CG 3.17Å; E131-K135 PolarHBondContact O-N 3.03Å; E131-K135 VanDerWaalsContact O-N 3.1Å; E131-K135 WeakPolarHBondContact OE1-CE 3.33Å; E131-K135 IonicContact OE1-NZ 2.72Å; E131-K135 PolarHBondContact OE1-NZ 2.96Å
132R94.9Very high92.9Very high170 Ų17068.4 Ų68.464%0.64235%0.354SS*.Hα-helixtrans-63.9-44.5174.7-174.3176.7179.2174.90.6111.8E128 A129 V130 K135 Q136E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 PolarHBondContact O-N 2.68Å; A129-R132 PolarHBondContact O-N 3.48Å; V130-R132 VanDerWaalsContact C-N 3.3Å; V130-R132 PolarHBondContact O-N 3.27Å; R132-K135 PolarHBondContact O-N 2.93Å; R132-Q136 WeakPolarHBondContact O-CG 3.4Å; R132-Q136 PolarHBondContact O-N 3.29Å
133L95Very high93.3Very high6 Ų668.6 Ų68.63%0.03135%0.347CS..Hα-helixtrans-63-42.6177-75.1175.3000111.8L109 H112 V113 I116 A129 V130 K135 Q136 L137 L189L109-L133 HydrophobicContact CD2-CD2 3.57Å; H112-L133 HydrophobicContact CB-CD1 4.23Å; H112-L133 HydrophobicContact CB-CD2 3.73Å; V113-L133 HydrophobicContact CG2-CD1 4.15Å; I116-L133 HydrophobicContact CD1-CD1 3.41Å; I116-L133 VanDerWaalsContact CD1-CD1 3.41Å; A129-L133 WeakPolarHBondContact O-CB 3.46Å; A129-L133 WeakPolarHBondContact O-CG 3.4Å; A129-L133 PolarHBondContact O-N 3.35Å; V130-L133 PolarHBondContact O-N 2.95Å; L133-K135 VanDerWaalsContact C-N 3.33Å; L133-K135 PolarHBondContact O-N 2.91Å; L133-Q136 PolarHBondContact O-N 2.91Å; L133-Q136 VanDerWaalsContact O-N 3.14Å; L133-L137 WeakPolarHBondContact O-CB 3.45Å; L133-L137 WeakPolarHBondContact O-CG 3.08Å; L133-L137 PolarHBondContact O-N 3.45Å; L133-L189 HydrophobicContact CB-CD1 4.32Å; L133-L189 HydrophobicContact CD1-CD1 3.83Å
134R94.7Very high93.9Very high83 Ų8364.4 Ų64.431%0.31333%0.325SS..Hα-helixtrans-56.4-46.7174.2-75.9-177.8177176.5-0111.6V130 E131 Q136 L137 N138 L189 E190V130-R134 WeakPolarHBondContact O-CG 3.33Å; V130-R134 PolarHBondContact O-N 3.24Å; E131-R134 PolarHBondContact O-N 2.92Å; R134-Q136 VanDerWaalsContact C-N 3.33Å; R134-Q136 PolarHBondContact O-N 3.48Å; R134-L137 PolarHBondContact O-N 3.31Å; R134-N138 WeakPolarHBondContact O-CB 3.27Å; R134-N138 VanDerWaalsContact O-CG 3.26Å; R134-N138 PolarHBondContact O-N 3.26Å; R134-N138 PolarHBondContact O-ND2 2.92Å; R134-L189 HydrophobicContact CG-CD2 3.63Å; R134-E190 IonicContact CZ-OE1 3.86Å; R134-E190 IonicContact NH2-OE1 3.69Å
135K95.8Very high94.4Very high134 Ų13463.6 Ų63.658%0.58331%0.311SS*.Hα-helixtrans-60.3-41.9176.4-73.3173.6-173.8163.10112.1E131 R132 L133 G139E131-K135 WeakPolarHBondContact O-CG 3.17Å; E131-K135 PolarHBondContact O-N 3.03Å; E131-K135 VanDerWaalsContact O-N 3.1Å; E131-K135 WeakPolarHBondContact OE1-CE 3.33Å; E131-K135 IonicContact OE1-NZ 2.72Å; E131-K135 PolarHBondContact OE1-NZ 2.96Å; R132-K135 PolarHBondContact O-N 2.93Å; L133-K135 VanDerWaalsContact C-N 3.33Å; L133-K135 PolarHBondContact O-N 2.91Å; K135-G139 PolarHBondContact O-N 3.46Å
136Q96Very high94.7Very high81 Ų8164.2 Ų64.238%0.37931%0.31SS..Hα-helixtrans-69.6-41.8179.5-69.8-178.5-59.900112.7L109 R132 L133 R134 G139 L140L109-Q136 HydrophobicContact CD1-CB 3.94Å; L109-Q136 HydrophobicContact CD2-CB 3.83Å; L109-Q136 HydrophobicContact CD2-CG 4.48Å; R132-Q136 WeakPolarHBondContact O-CG 3.4Å; R132-Q136 PolarHBondContact O-N 3.29Å; L133-Q136 PolarHBondContact O-N 2.91Å; L133-Q136 VanDerWaalsContact O-N 3.14Å; R134-Q136 VanDerWaalsContact C-N 3.33Å; R134-Q136 PolarHBondContact O-N 3.48Å; Q136-G139 PolarHBondContact O-N 2.94Å; Q136-L140 PolarHBondContact O-N 3.43Å; Q136-L140 VanDerWaalsContact O-N 3.08Å
137L95.8Very high94.9Very high0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-61.5-50175.5-76.8170.9000110.7L106 L109 L133 R134 G139 L140 C141 H182 L185 L186L106-L137 HydrophobicContact CD1-CD2 3.82Å; L109-L137 HydrophobicContact CB-CD2 4.3Å; L109-L137 HydrophobicContact CD1-CD2 3.87Å; L109-L137 HydrophobicContact CD1-CG 4.15Å; L133-L137 WeakPolarHBondContact O-CB 3.45Å; L133-L137 WeakPolarHBondContact O-CG 3.08Å; L133-L137 PolarHBondContact O-N 3.45Å; R134-L137 PolarHBondContact O-N 3.31Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.27Å; L137-L140 WeakPolarHBondContact O-CA 3.33Å; L137-L140 WeakPolarHBondContact O-CB 3.39Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-C141 PolarHBondContact O-N 3.14Å; L137-H182 PolarHBondContact O-CD2 3.01Å; L137-H182 VanDerWaalsContact O-CD2 3.23Å; L137-H182 PolarHBondContact O-NE2 2.87Å; L137-H182 VanDerWaalsContact O-NE2 3.07Å; L137-L185 HydrophobicContact CD1-CB 4.43Å; L137-L185 HydrophobicContact CD2-CB 4.36Å; L137-L185 HydrophobicContact CD2-CD1 4.24Å; L137-L186 HydrophobicContact CB-CD1 4.13Å; L137-L186 HydrophobicContact CD1-CB 4.46Å; L137-L186 HydrophobicContact CD1-CD1 4.44Å; L137-L186 HydrophobicContact CD1-CG 4.36Å
138N95.2Very high95.1Very high83 Ų8361.8 Ų61.844%0.44430%0.297SS..Hα-helixtrans-59.4-39.9177.6-71.4-19.3000112.3R134 L140 C141 E142R134-N138 WeakPolarHBondContact O-CB 3.27Å; R134-N138 VanDerWaalsContact O-CG 3.26Å; R134-N138 PolarHBondContact O-N 3.26Å; R134-N138 PolarHBondContact O-ND2 2.92Å; N138-L140 VanDerWaalsContact C-N 3.33Å; N138-L140 PolarHBondContact O-N 3.25Å; N138-C141 WeakPolarHBondContact O-CB 3.15Å; N138-C141 PolarHBondContact O-N 2.77Å; N138-E142 PolarHBondContact O-N 3.08Å
139G95.8Very high95.3Very high28 Ų2861 Ų6129%0.28929%0.293SS..Hα-helixtrans-61.6-37.9173.700000113.4K135 Q136 L137 E142 D143K135-G139 PolarHBondContact O-N 3.46Å; Q136-G139 PolarHBondContact O-N 2.94Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.27Å; G139-E142 PolarHBondContact O-N 3.33Å; G139-D143 PolarHBondContact O-N 2.92Å
140L95Very high95.3Very high9 Ų961.1 Ų61.15%0.04729%0.292CS..Hα-helixtrans-69.5-35.1173.6-75.3-179.9000112.7I102 K105 L106 L109 Q136 L137 N138 E142 D143 C144I102-L140 HydrophobicContact CG2-CD2 4.41Å; K105-L140 HydrophobicContact CB-CD1 3.9Å; K105-L140 HydrophobicContact CB-CD2 3.92Å; K105-L140 HydrophobicContact CD-CD2 3.78Å; L106-L140 HydrophobicContact CB-CD1 4.17Å; L106-L140 HydrophobicContact CD1-CD1 3.93Å; L109-L140 HydrophobicContact CD1-CD1 3.49Å; L109-L140 VanDerWaalsContact CD1-CD1 3.49Å; L109-L140 HydrophobicContact CD1-CG 4.42Å; Q136-L140 PolarHBondContact O-N 3.43Å; Q136-L140 VanDerWaalsContact O-N 3.08Å; L137-L140 WeakPolarHBondContact O-CA 3.33Å; L137-L140 WeakPolarHBondContact O-CB 3.39Å; L137-L140 PolarHBondContact O-N 3.47Å; N138-L140 VanDerWaalsContact C-N 3.33Å; N138-L140 PolarHBondContact O-N 3.25Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-D143 PolarHBondContact O-N 2.87Å; L140-C144 PolarHBondContact O-N 3.06Å; L140-C144 PolarHBondContact O-SG 3.28Å
141C95.1Very high95.3Very high35 Ų3561 Ų6124%0.23629%0.292CS..Hα-helixtrans-60.6-44.7173.6-172.40000110.7L137 N138 D143 C144 M145 L179L137-C141 PolarHBondContact O-N 3.14Å; N138-C141 WeakPolarHBondContact O-CB 3.15Å; N138-C141 PolarHBondContact O-N 2.77Å; C141-D143 PolarHBondContact O-N 3.4Å; C141-C144 WeakPolarHBondContact O-CB 3.38Å; C141-C144 PolarHBondContact O-N 2.97Å; C141-M145 WeakPolarHBondContact O-CG 3.36Å; C141-M145 PolarHBondContact O-N 3.34Å; C141-L179 HydrophobicContact CB-CD2 4.46Å
142E96.2Very high95.2Very high112 Ų11261 Ų6152%0.52330%0.295SS..Hα-helixtrans-60.3-43172.5-71.8-172.9-165.300112.8N138 G139 L140 C144 M145 K146N138-E142 PolarHBondContact O-N 3.08Å; G139-E142 PolarHBondContact O-N 3.33Å; L140-E142 VanDerWaalsContact C-N 3.33Å; E142-C144 VanDerWaalsContact C-N 3.3Å; E142-C144 PolarHBondContact O-N 3.12Å; E142-M145 PolarHBondContact O-N 2.97Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.2Å; E142-K146 PolarHBondContact O-N 3.18Å; E142-K146 IonicContact OE2-NZ 3.56Å; E142-K146 PolarHBondContact OE2-NZ 3.13Å
143D95.6Very high95Very high61 Ų6156.7 Ų56.733%0.32630%0.295SS..Hα-helixtrans-62.4-37.5177.4-76.8-15.2000111.8I102 G139 L140 C141 T147I102-D143 HydrophobicContact CD1-CB 4.07Å; I102-D143 HydrophobicContact CG1-CB 4.24Å; G139-D143 PolarHBondContact O-N 2.92Å; L140-D143 PolarHBondContact O-N 2.87Å; C141-D143 PolarHBondContact O-N 3.4Å; D143-T147 WeakPolarHBondContact O-CB 3.43Å; D143-T147 PolarHBondContact O-N 2.72Å; D143-T147 PolarHBondContact O-OG1 2.92Å
144C96.4Very high94.8Very high3 Ų357.5 Ų57.52%0.0230%0.3CS..Hα-helixtrans-60.5-50.2171.6-780000111.2I102 L140 C141 E142 T147 L148 I175 L179I102-C144 VanDerWaalsContact CG2-SG 3.54Å; L140-C144 PolarHBondContact O-N 3.06Å; L140-C144 PolarHBondContact O-SG 3.28Å; C141-C144 WeakPolarHBondContact O-CB 3.38Å; C141-C144 PolarHBondContact O-N 2.97Å; E142-C144 VanDerWaalsContact C-N 3.3Å; E142-C144 PolarHBondContact O-N 3.12Å; C144-T147 WeakPolarHBondContact O-CB 3.46Å; C144-T147 PolarHBondContact O-N 3.47Å; C144-T147 VanDerWaalsContact O-N 3.15Å; C144-L148 PolarHBondContact O-N 2.83Å; C144-I175 HydrophobicContact CB-CG2 3.79Å; C144-L179 HydrophobicContact CB-CD1 4.3Å; C144-L179 HydrophobicContact CB-CD2 3.56Å; C144-L179 HydrophobicContact CB-CG 3.86Å
145M96.7Very high94.3Very high85 Ų8558.6 Ų58.642%0.41932%0.32SS..Hα-helixtrans-63-46.2-178.6-67.7-56.6-67.800111.8C141 E142 T147 L148 E149 L179C141-M145 WeakPolarHBondContact O-CG 3.36Å; C141-M145 PolarHBondContact O-N 3.34Å; E142-M145 PolarHBondContact O-N 2.97Å; M145-T147 PolarHBondContact O-N 3.43Å; M145-L148 WeakPolarHBondContact O-CB 3.4Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L148 VanDerWaalsContact O-N 3.11Å; M145-L148 HydrophobicContact SD-CD1 4.27Å; M145-E149 WeakPolarHBondContact O-CG 3.44Å; M145-E149 PolarHBondContact O-N 3.38Å; M145-L179 HydrophobicContact SD-CD1 4.15Å
146K96.4Very high93.7Very high106 Ų10652.6 Ų52.646%0.46130%0.295SS..Hα-helixtrans-58.5-35.5174.2-71.8168.8-171.9153.90112.1E142 S150E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.2Å; E142-K146 PolarHBondContact O-N 3.18Å; E142-K146 IonicContact OE2-NZ 3.56Å; E142-K146 PolarHBondContact OE2-NZ 3.13Å; K146-S150 WeakPolarHBondContact O-CB 3.34Å; K146-S150 PolarHBondContact O-N 2.84Å; K146-S150 VanDerWaalsContact O-N 3.1Å; K146-S150 PolarHBondContact O-OG 3.39Å
147T95.2Very high92.9Very high7 Ų752.4 Ų52.44%0.04331%0.314CS..Hα-helixtrans-69.4-42.9177.1-56.80000111.2I94 R98 I99 D143 C144 M145 S150 M151 I175I94-T147 HydrophobicContact CG2-CG2 3.7Å; R98-T147 HydrophobicContact CB-CG2 4.02Å; I99-T147 HydrophobicContact CG1-CG2 4.26Å; D143-T147 WeakPolarHBondContact O-CB 3.43Å; D143-T147 PolarHBondContact O-N 2.72Å; D143-T147 PolarHBondContact O-OG1 2.92Å; C144-T147 WeakPolarHBondContact O-CB 3.46Å; C144-T147 PolarHBondContact O-N 3.47Å; C144-T147 VanDerWaalsContact O-N 3.15Å; M145-T147 PolarHBondContact O-N 3.43Å; T147-S150 PolarHBondContact O-N 3.5Å; T147-S150 PolarHBondContact O-OG 2.94Å; T147-M151 HydrophobicContact CG2-SD 4.43Å; T147-M151 WeakPolarHBondContact O-CG 3.34Å; T147-M151 PolarHBondContact O-N 3.15Å; T147-I175 HydrophobicContact CG2-CD1 3.56Å
148L95.9Very high92.1Very high21 Ų2156.9 Ų56.911%0.1134%0.338CS..Hα-helixtrans-60.2-49.4174.2-75.8169.5000111.8C144 M145 S150 M151 D152 A172 I175 L179C144-L148 PolarHBondContact O-N 2.83Å; M145-L148 WeakPolarHBondContact O-CB 3.4Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L148 VanDerWaalsContact O-N 3.11Å; M145-L148 HydrophobicContact SD-CD1 4.27Å; L148-S150 VanDerWaalsContact C-N 3.27Å; L148-S150 PolarHBondContact O-N 3.31Å; L148-M151 WeakPolarHBondContact O-CA 3.42Å; L148-M151 WeakPolarHBondContact O-CB 3.41Å; L148-M151 PolarHBondContact O-N 3.3Å; L148-D152 PolarHBondContact O-N 3.49Å; L148-A172 HydrophobicContact CD2-CB 3.94Å; L148-I175 HydrophobicContact CD1-CG2 3.88Å; L148-I175 HydrophobicContact CD2-CB 4.07Å; L148-I175 HydrophobicContact CD2-CD1 3.92Å; L148-I175 HydrophobicContact CD2-CG2 4.19Å; L148-I175 HydrophobicContact CG-CB 4.21Å; L148-I175 HydrophobicContact CG-CD1 4.07Å; L148-I175 HydrophobicContact CG-CG2 3.76Å; L148-L179 HydrophobicContact CD1-CD1 4.11Å
149E95.3Very high91.2Very high123 Ų12360.4 Ų60.458%0.57535%0.352SS*.Hα-helixtrans-55.2-43.8177.5-71.8171.7-174.400111.8M145 M151 D152 A153M145-E149 WeakPolarHBondContact O-CG 3.44Å; M145-E149 PolarHBondContact O-N 3.38Å; E149-M151 PolarHBondContact O-N 3Å; E149-D152 PolarHBondContact O-N 2.96Å; E149-A153 PolarHBondContact O-N 3.03Å
150S93.3Very high90.2Very high24 Ų2461.3 Ų61.317%0.16835%0.354CS..Hα-helixtrans-65.8-25.9178.776.20000114R98 K146 T147 L148R98-S150 PolarHBondContact NH1-OG 2.92Å; K146-S150 WeakPolarHBondContact O-CB 3.34Å; K146-S150 PolarHBondContact O-N 2.84Å; K146-S150 VanDerWaalsContact O-N 3.1Å; K146-S150 PolarHBondContact O-OG 3.39Å; T147-S150 PolarHBondContact O-N 3.5Å; T147-S150 PolarHBondContact O-OG 2.94Å; L148-S150 VanDerWaalsContact C-N 3.27Å; L148-S150 PolarHBondContact O-N 3.31Å
151M92.7Very high89.7Confident1 Ų161.1 Ų61.11%0.00535%0.353CS..Hα-helixtrans-82.5-37.4175.6-72.3173.347.400111.6I94 T147 L148 E149 A153 L154 R168 L171 A172 I175I94-M151 HydrophobicContact CD1-CG 3.75Å; I94-M151 HydrophobicContact CG2-CG 4.21Å; I94-M151 HydrophobicContact CG2-SD 3.91Å; T147-M151 HydrophobicContact CG2-SD 4.43Å; T147-M151 WeakPolarHBondContact O-CG 3.34Å; T147-M151 PolarHBondContact O-N 3.15Å; L148-M151 WeakPolarHBondContact O-CA 3.42Å; L148-M151 WeakPolarHBondContact O-CB 3.41Å; L148-M151 PolarHBondContact O-N 3.3Å; E149-M151 PolarHBondContact O-N 3Å; M151-A153 VanDerWaalsContact C-N 3.28Å; M151-A153 PolarHBondContact O-N 2.95Å; M151-L154 VanDerWaalsContact O-CB 3.32Å; M151-L154 WeakPolarHBondContact O-CB 3.24Å; M151-L154 WeakPolarHBondContact O-CG 3.42Å; M151-L154 PolarHBondContact O-N 2.95Å; M151-R168 HydrophobicContact CB-CG 4.17Å; M151-R168 HydrophobicContact CE-CB 4.46Å; M151-R168 HydrophobicContact CE-CG 3.66Å; M151-R168 WeakPolarHBondContact CE-O 3.44Å; M151-R168 WeakPolarHBondContact O-CD 3.37Å; M151-L171 HydrophobicContact CE-CB 3.47Å; M151-L171 VanDerWaalsContact CE-CB 3.47Å; M151-L171 HydrophobicContact SD-CB 4.08Å; M151-A172 HydrophobicContact CE-CB 4.15Å; M151-I175 HydrophobicContact SD-CD1 3.8Å
152D91.6Very high89.2Confident110 Ų11064.4 Ų64.459%0.58837%0.365SS*.Hα-helixtrans-68.1-30.3177.7-73.4-20.7000112.1L148 E149 L154L148-D152 PolarHBondContact O-N 3.49Å; E149-D152 PolarHBondContact O-N 2.96Å; D152-L154 PolarHBondContact O-N 2.8Å; D152-L154 VanDerWaalsContact O-N 3.13Å
153A92.2Very high88.7Confident78 Ų7863.4 Ų63.465%0.64536%0.363SS*.THydrogen-bonded Turntrans-62.4-15172.400000114.1E149 M151 S155E149-A153 PolarHBondContact O-N 3.03Å; M151-A153 VanDerWaalsContact C-N 3.28Å; M151-A153 PolarHBondContact O-N 2.95Å; A153-S155 PolarHBondContact O-N 3.28Å
154L89Confident88.4Confident24 Ų2460.5 Ų60.513%0.12635%0.348CS..  trans-72.6119.6179.2-59.5176.9000111.4Y90 L91 M151 D152 L156 R168Y90-L154 HydrophobicContact CD1-CD1 3.94Å; Y90-L154 HydrophobicContact CD1-CD2 3.81Å; Y90-L154 HydrophobicContact CD1-CG 4.45Å; Y90-L154 HydrophobicContact CE1-CD1 4.12Å; Y90-L154 HydrophobicContact CE1-CD2 3.74Å; Y90-L154 HydrophobicContact CE1-CG 4.33Å; L91-L154 HydrophobicContact CD2-CD1 3.63Å; L91-L154 HydrophobicContact CG-CD1 4.22Å; M151-L154 VanDerWaalsContact O-CB 3.32Å; M151-L154 WeakPolarHBondContact O-CB 3.24Å; M151-L154 WeakPolarHBondContact O-CG 3.42Å; M151-L154 PolarHBondContact O-N 2.95Å; D152-L154 PolarHBondContact O-N 2.8Å; D152-L154 VanDerWaalsContact O-N 3.13Å; L154-L156 HydrophobicContact CB-CD1 4.32Å; L154-L156 HydrophobicContact CB-CD2 4.43Å; L154-L156 HydrophobicContact CB-CG 4.06Å; L154-L156 PolarHBondContact O-N 3.45Å; L154-L156 VanDerWaalsContact O-N 3.12Å; L154-R168 PolarHBondContact O-NH1 2.67Å
155S84.1Confident88.1Confident106 Ų10663.9 Ų63.974%0.74136%0.36SS*.  trans-80.890.9177.1-66.40000111A153A153-S155 PolarHBondContact O-N 3.28Å
156L85.2Confident87.9Confident8 Ų864.7 Ų64.74%0.04236%0.364CS..  trans-108.538.4-176.9-56.5177.5000112.6Q87 L154 L161 A164 R165 R168Q87-L156 HydrophobicContact CB-CD2 4.16Å; Q87-L156 HydrophobicContact CG-CD2 3.91Å; L154-L156 HydrophobicContact CB-CD1 4.32Å; L154-L156 HydrophobicContact CB-CD2 4.43Å; L154-L156 HydrophobicContact CB-CG 4.06Å; L154-L156 PolarHBondContact O-N 3.45Å; L154-L156 VanDerWaalsContact O-N 3.12Å; L156-L161 HydrophobicContact CD2-CB 4.49Å; L156-L161 HydrophobicContact CD2-CD1 4.1Å; L156-A164 HydrophobicContact CD1-CB 4.09Å; L156-A164 HydrophobicContact CD2-CB 3.93Å; L156-R165 HydrophobicContact CB-CG 3.64Å; L156-R165 HydrophobicContact CD1-CG 4.23Å; L156-R165 WeakPolarHBondContact O-CD 3.48Å; L156-R165 PolarHBondContact O-NH1 2.88Å; L156-R168 HydrophobicContact CD1-CB 4.24Å
157G77.9Confident87.7Confident77 Ų7762.1 Ų62.179%0.79435%0.353SS*.  trans-74.1-25.7-173.800000115.1
158D79.3Confident87.7Confident93 Ų9364.6 Ų64.650%0.49736%0.361SS..SBendtrans-71.1138.8-178.3-174.9-1.9000111.8S160 L161 R165D158-S160 PolarHBondContact O-N 2.81Å; D158-S160 PolarHBondContact OD1-N 2.68Å; D158-S160 VanDerWaalsContact OD1-N 3.1Å; D158-S160 PolarHBondContact OD1-OG 2.83Å; D158-S160 PolarHBondContact OD2-OG 3.25Å; D158-L161 HydrophobicContact CB-CD1 4.17Å; D158-L161 HydrophobicContact CB-CG 4.2Å; D158-L161 WeakPolarHBondContact O-CB 3.45Å; D158-L161 PolarHBondContact O-N 3.49Å; D158-R165 PolarHBondContact O-NH1 2.79Å
159Q77.1Confident87.7Confident158 Ų15870.4 Ų70.474%0.73839%0.385SS*.G310 helixtrans-58.7-32176.9-162.1167.9-3.800111.8L161 E162Q159-L161 PolarHBondContact O-N 3.27Å; Q159-L161 VanDerWaalsContact O-N 3.07Å; Q159-E162 PolarHBondContact O-N 3.07Å
160S74.9Confident87.7Confident47 Ų4769.1 Ų69.133%0.32938%0.382SS..G310 helixtrans-62-14.417578.70000114.3N81 D158N81-S160 WeakPolarHBondContact ND2-CB 3.48Å; N81-S160 PolarHBondContact ND2-O 3.4Å; N81-S160 PolarHBondContact ND2-OG 2.9Å; D158-S160 PolarHBondContact O-N 2.81Å; D158-S160 PolarHBondContact OD1-N 2.68Å; D158-S160 VanDerWaalsContact OD1-N 3.1Å; D158-S160 PolarHBondContact OD1-OG 2.83Å; D158-S160 PolarHBondContact OD2-OG 3.25Å
161L83.4Confident87.9Confident5 Ų568 Ų683%0.02637%0.374CS..G310 helixtrans-103.316.1-177.9-58.9177.8000114.1E83 L84 L156 D158 Q159 N163 A164 R165E83-L161 HydrophobicContact CB-CD2 4.42Å; E83-L161 HydrophobicContact CG-CD1 4.26Å; E83-L161 HydrophobicContact CG-CD2 4.25Å; L84-L161 VanDerWaalsContact CA-CD2 3.45Å; L84-L161 HydrophobicContact CB-CD2 3.69Å; L84-L161 HydrophobicContact CD1-CD2 4Å; L84-L161 HydrophobicContact CG-CD2 4.45Å; L156-L161 HydrophobicContact CD2-CB 4.49Å; L156-L161 HydrophobicContact CD2-CD1 4.1Å; D158-L161 HydrophobicContact CB-CD1 4.17Å; D158-L161 HydrophobicContact CB-CG 4.2Å; D158-L161 WeakPolarHBondContact O-CB 3.45Å; D158-L161 PolarHBondContact O-N 3.49Å; Q159-L161 PolarHBondContact O-N 3.27Å; Q159-L161 VanDerWaalsContact O-N 3.07Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 2.94Å; L161-A164 WeakPolarHBondContact O-CB 3.48Å; L161-A164 PolarHBondContact O-N 3.48Å; L161-R165 PolarHBondContact O-N 2.83Å
162E84.3Confident88.1Confident104 Ų10468.8 Ų68.849%0.48638%0.381SS..Hα-helixtrans-54.9-41.9-177.5-166.2179.7173.200113.4Q159 A164 R165 M166Q159-E162 PolarHBondContact O-N 3.07Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 3.12Å; E162-R165 WeakPolarHBondContact O-CB 3.5Å; E162-R165 PolarHBondContact O-N 3.43Å; E162-R165 VanDerWaalsContact O-N 3.12Å; E162-M166 HydrophobicContact CG-CE 4.25Å; E162-M166 PolarHBondContact O-N 3.33Å
163N85.4Confident88.3Confident91 Ų9167.6 Ų67.649%0.48737%0.374SS..Hα-helixtrans-61.4-38.7176.2-70.8-31000112.7L84 M88 L161 M166 K167L84-N163 HydrophobicContact CD1-CB 4.33Å; M88-N163 HydrophobicContact SD-CB 4.4Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 2.94Å; N163-M166 PolarHBondContact O-N 3.2Å; N163-M166 VanDerWaalsContact OD1-CE 3.24Å; N163-M166 WeakPolarHBondContact OD1-CE 3.34Å; N163-K167 WeakPolarHBondContact O-CB 3.43Å; N163-K167 PolarHBondContact O-N 2.76Å
164A89.5Confident88.6Confident0 Ų070 Ų700%037%0.367CS..Hα-helixtrans-67.2-38.5175.200000111.1L84 Q87 L91 L156 L161 E162 K167 R168L84-A164 HydrophobicContact CD1-CB 3.9Å; Q87-A164 HydrophobicContact CB-CB 4.27Å; L91-A164 HydrophobicContact CD1-CB 4.15Å; L91-A164 WeakPolarHBondContact CD1-O 3.35Å; L156-A164 HydrophobicContact CD1-CB 4.09Å; L156-A164 HydrophobicContact CD2-CB 3.93Å; L161-A164 WeakPolarHBondContact O-CB 3.48Å; L161-A164 PolarHBondContact O-N 3.48Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 3.12Å; A164-K167 PolarHBondContact O-N 3.05Å; A164-R168 WeakPolarHBondContact O-CB 3.23Å; A164-R168 PolarHBondContact O-N 3.45Å
165R91.2Very high88.9Confident73 Ų7368.9 Ų68.928%0.27536%0.361SS..Hα-helixtrans-62.1-46.9174.5-71-166.7-68.4-89.4-0.9112L156 D158 L161 E162 K167 R168 K169L156-R165 HydrophobicContact CB-CG 3.64Å; L156-R165 HydrophobicContact CD1-CG 4.23Å; L156-R165 WeakPolarHBondContact O-CD 3.48Å; L156-R165 PolarHBondContact O-NH1 2.88Å; D158-R165 PolarHBondContact O-NH1 2.79Å; L161-R165 PolarHBondContact O-N 2.83Å; E162-R165 WeakPolarHBondContact O-CB 3.5Å; E162-R165 PolarHBondContact O-N 3.43Å; E162-R165 VanDerWaalsContact O-N 3.12Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K167 PolarHBondContact O-N 2.84Å; R165-R168 PolarHBondContact O-N 2.91Å; R165-K169 PolarHBondContact O-N 2.95Å
166M92Very high89.5Confident102 Ų10268.1 Ų68.150%0.50235%0.346SS..Hα-helixtrans-60.6-45.2176.9-73.7-170.3-75.900111.2E162 N163 R168 K169 L170E162-M166 HydrophobicContact CG-CE 4.25Å; E162-M166 PolarHBondContact O-N 3.33Å; N163-M166 PolarHBondContact O-N 3.2Å; N163-M166 VanDerWaalsContact OD1-CE 3.24Å; N163-M166 WeakPolarHBondContact OD1-CE 3.34Å; M166-R168 PolarHBondContact O-N 2.81Å; M166-K169 PolarHBondContact O-N 3.03Å; M166-L170 PolarHBondContact O-N 2.94Å
167K93.3Very high90.1Very high52 Ų5269.6 Ų69.623%0.22636%0.362CS..Hα-helixtrans-62.2-44.4176.7-173.963.1174.4174.60111.5M88 L91 E95 N163 A164 R165 K169 L170 L171M88-K167 HydrophobicContact CE-CB 3.91Å; M88-K167 HydrophobicContact CE-CG 4.06Å; L91-K167 HydrophobicContact CB-CG 4.23Å; L91-K167 HydrophobicContact CD1-CB 4.05Å; L91-K167 HydrophobicContact CD1-CG 4.11Å; E95-K167 IonicContact OE1-NZ 3.84Å; E95-K167 PolarHBondContact OE1-NZ 2.87Å; E95-K167 VanDerWaalsContact OE1-NZ 3.12Å; E95-K167 WeakPolarHBondContact OE2-CE 3.47Å; E95-K167 IonicContact OE2-NZ 3.5Å; E95-K167 PolarHBondContact OE2-NZ 3.38Å; N163-K167 WeakPolarHBondContact O-CB 3.43Å; N163-K167 PolarHBondContact O-N 2.76Å; A164-K167 PolarHBondContact O-N 3.05Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K167 PolarHBondContact O-N 2.84Å; K167-K169 VanDerWaalsContact C-N 3.34Å; K167-K169 PolarHBondContact O-N 2.86Å; K167-L170 PolarHBondContact O-N 2.81Å; K167-L171 HydrophobicContact CG-CD1 4.43Å; K167-L171 WeakPolarHBondContact O-CG 3.45Å; K167-L171 PolarHBondContact O-N 2.76Å
168R94.8Very high91Very high59 Ų5967.1 Ų67.122%0.22333%0.331CS..Hα-helixtrans-57.2-47.3175.6-175.6-178.565.8-175.84.2111.3L91 M151 L154 L156 A164 R165 M166 L170 L171 A172L91-R168 HydrophobicContact CD1-CB 4.47Å; L91-R168 HydrophobicContact CD2-CB 4.23Å; M151-R168 HydrophobicContact CB-CG 4.17Å; M151-R168 HydrophobicContact CE-CB 4.46Å; M151-R168 HydrophobicContact CE-CG 3.66Å; M151-R168 WeakPolarHBondContact CE-O 3.44Å; M151-R168 WeakPolarHBondContact O-CD 3.37Å; L154-R168 PolarHBondContact O-NH1 2.67Å; L156-R168 HydrophobicContact CD1-CB 4.24Å; A164-R168 WeakPolarHBondContact O-CB 3.23Å; A164-R168 PolarHBondContact O-N 3.45Å; R165-R168 PolarHBondContact O-N 2.91Å; M166-R168 PolarHBondContact O-N 2.81Å; R168-L170 PolarHBondContact O-N 2.84Å; R168-L171 PolarHBondContact O-N 2.71Å; R168-A172 PolarHBondContact O-N 2.63Å
169K94.9Very high91.9Very high143 Ų14363.9 Ų63.962%0.62231%0.314SS*.Hα-helixtrans-58-48.9178.1-174.9177.8179-1790111.6R165 M166 K167 L171 A172 D173R165-K169 PolarHBondContact O-N 2.95Å; M166-K169 PolarHBondContact O-N 3.03Å; K167-K169 VanDerWaalsContact C-N 3.34Å; K167-K169 PolarHBondContact O-N 2.86Å; K169-L171 VanDerWaalsContact C-N 3.29Å; K169-L171 PolarHBondContact O-N 2.91Å; K169-A172 WeakPolarHBondContact O-CB 3.41Å; K169-A172 PolarHBondContact O-N 3.45Å; K169-A172 VanDerWaalsContact O-N 3.08Å; K169-D173 PolarHBondContact O-N 2.88Å
170L96.1Very high92.9Very high97 Ų9762.4 Ų62.451%0.50831%0.305SS..Hα-helixtrans-60.6-38.2178.9-176141.9000112.7M166 K167 R168 R174M166-L170 PolarHBondContact O-N 2.94Å; K167-L170 PolarHBondContact O-N 2.81Å; R168-L170 PolarHBondContact O-N 2.84Å; L170-R174 WeakPolarHBondContact O-CB 3.31Å; L170-R174 PolarHBondContact O-N 3.3Å; L170-R174 VanDerWaalsContact O-N 3.14Å
171L96.7Very high93.9Very high0 Ų063.5 Ų63.50%030%0.304CS..Hα-helixtrans-69.8-36.3175.2-66-176.4000112.2L91 E95 I99 M151 K167 R168 K169 R174 I175L91-L171 HydrophobicContact CB-CD1 4.14Å; L91-L171 HydrophobicContact CD2-CD1 4.23Å; L91-L171 WeakPolarHBondContact O-CD1 3.49Å; E95-L171 HydrophobicContact CB-CD1 4.11Å; E95-L171 HydrophobicContact CB-CD2 3.67Å; E95-L171 HydrophobicContact CG-CD2 3.61Å; I99-L171 HydrophobicContact CD1-CB 3.88Å; I99-L171 HydrophobicContact CD1-CD2 4.01Å; I99-L171 HydrophobicContact CD1-CG 4.33Å; M151-L171 HydrophobicContact CE-CB 3.47Å; M151-L171 VanDerWaalsContact CE-CB 3.47Å; M151-L171 HydrophobicContact SD-CB 4.08Å; K167-L171 HydrophobicContact CG-CD1 4.43Å; K167-L171 WeakPolarHBondContact O-CG 3.45Å; K167-L171 PolarHBondContact O-N 2.76Å; R168-L171 PolarHBondContact O-N 2.71Å; K169-L171 VanDerWaalsContact C-N 3.29Å; K169-L171 PolarHBondContact O-N 2.91Å; L171-R174 WeakPolarHBondContact O-CB 3.03Å; L171-R174 PolarHBondContact O-N 2.82Å; L171-I175 WeakPolarHBondContact O-CG1 3.4Å; L171-I175 PolarHBondContact O-N 3Å
172A96.8Very high94.5Very high17 Ų1763.6 Ų63.614%0.1430%0.304CS..Hα-helixtrans-65.8-45.4176.700000110.9L148 M151 R168 K169 R174 I175 Q176L148-A172 HydrophobicContact CD2-CB 3.94Å; M151-A172 HydrophobicContact CE-CB 4.15Å; R168-A172 PolarHBondContact O-N 2.63Å; K169-A172 WeakPolarHBondContact O-CB 3.41Å; K169-A172 PolarHBondContact O-N 3.45Å; K169-A172 VanDerWaalsContact O-N 3.08Å; A172-R174 PolarHBondContact O-N 3.1Å; A172-I175 PolarHBondContact O-N 2.71Å; A172-I175 VanDerWaalsContact O-N 3.14Å; A172-Q176 WeakPolarHBondContact O-CG 3.25Å; A172-Q176 PolarHBondContact O-N 3.46Å
173D97.2Very high95.1Very high85 Ų8562.8 Ų62.846%0.45530%0.303SS..Hα-helixtrans-57.6-38.2174.3-66.4-25.3000111.1K169 Q176 G177K169-D173 PolarHBondContact O-N 2.88Å; D173-Q176 PolarHBondContact O-N 3.22Å; D173-G177 PolarHBondContact O-N 3.49Å
174R96.7Very high95.7Very high129 Ų12966.2 Ų66.249%0.48731%0.309SS..Hα-helixtrans-67.2-42.4176.6-168.3170.5-179.6176.61.8112.7E95 I99 L170 L171 A172 G177 L178E95-R174 IonicContact OE1-NH1 2.89Å; I99-R174 HydrophobicContact CG2-CG 4.09Å; L170-R174 WeakPolarHBondContact O-CB 3.31Å; L170-R174 PolarHBondContact O-N 3.3Å; L170-R174 VanDerWaalsContact O-N 3.14Å; L171-R174 WeakPolarHBondContact O-CB 3.03Å; L171-R174 PolarHBondContact O-N 2.82Å; A172-R174 PolarHBondContact O-N 3.1Å; R174-G177 PolarHBondContact O-N 3.25Å; R174-L178 PolarHBondContact O-N 2.84Å; R174-L178 VanDerWaalsContact O-N 3.08Å
175I97.2Very high95.9Very high0 Ų066.7 Ų66.70%031%0.311CS..Hα-helixtrans-65.1-41.6175-65.3164.9000110.6I99 C144 T147 L148 M151 L171 A172 G177 L178 L179I99-I175 HydrophobicContact CD1-CD1 3.77Å; I99-I175 HydrophobicContact CD1-CG1 3.69Å; I99-I175 HydrophobicContact CG1-CD1 3.92Å; I99-I175 HydrophobicContact CG1-CG1 3.72Å; C144-I175 HydrophobicContact CB-CG2 3.79Å; T147-I175 HydrophobicContact CG2-CD1 3.56Å; L148-I175 HydrophobicContact CD1-CG2 3.88Å; L148-I175 HydrophobicContact CD2-CB 4.07Å; L148-I175 HydrophobicContact CD2-CD1 3.92Å; L148-I175 HydrophobicContact CD2-CG2 4.19Å; L148-I175 HydrophobicContact CG-CB 4.21Å; L148-I175 HydrophobicContact CG-CD1 4.07Å; L148-I175 HydrophobicContact CG-CG2 3.76Å; M151-I175 HydrophobicContact SD-CD1 3.8Å; L171-I175 WeakPolarHBondContact O-CG1 3.4Å; L171-I175 PolarHBondContact O-N 3Å; A172-I175 PolarHBondContact O-N 2.71Å; A172-I175 VanDerWaalsContact O-N 3.14Å; I175-G177 PolarHBondContact O-N 2.71Å; I175-L178 WeakPolarHBondContact O-CA 3.03Å; I175-L178 WeakPolarHBondContact O-CB 3.13Å; I175-L178 PolarHBondContact O-N 3.29Å; I175-L179 HydrophobicContact CG2-CD1 4.3Å; I175-L179 HydrophobicContact CG2-CG 4.5Å; I175-L179 PolarHBondContact O-N 2.82Å
176Q96.6Very high96.1Very high91 Ų9164.6 Ų64.643%0.42531%0.306SS..Hα-helixtrans-61.4-35.6174.4-70.61793.800112A172 D173 L179 K180A172-Q176 WeakPolarHBondContact O-CG 3.25Å; A172-Q176 PolarHBondContact O-N 3.46Å; D173-Q176 PolarHBondContact O-N 3.22Å; Q176-L179 PolarHBondContact O-N 2.75Å; Q176-K180 WeakPolarHBondContact O-CG 3.35Å; Q176-K180 PolarHBondContact O-N 3.5Å
177G97.4Very high96.3Very high38 Ų3865.4 Ų65.439%0.39231%0.308SS..Hα-helixtrans-60-42.8170.300000112.9D173 R174 I175 K180 F181D173-G177 PolarHBondContact O-N 3.49Å; R174-G177 PolarHBondContact O-N 3.25Å; I175-G177 PolarHBondContact O-N 2.71Å; G177-K180 PolarHBondContact O-N 3.19Å; G177-F181 PolarHBondContact O-N 2.84Å
178L97Very high96.3Very high26 Ų2667.8 Ų67.814%0.13632%0.316CS..Hα-helixtrans-66.3-41.2175.4-65.7173.4000112.1I99 I102 L106 R174 I175 F181 H182I99-L178 HydrophobicContact CG2-CD1 3.89Å; I102-L178 HydrophobicContact CB-CD1 4.39Å; I102-L178 HydrophobicContact CG2-CD1 3.95Å; L106-L178 HydrophobicContact CD2-CB 4.22Å; L106-L178 HydrophobicContact CD2-CD2 4.13Å; L106-L178 WeakPolarHBondContact CD2-O 3.25Å; R174-L178 PolarHBondContact O-N 2.84Å; R174-L178 VanDerWaalsContact O-N 3.08Å; I175-L178 WeakPolarHBondContact O-CA 3.03Å; I175-L178 WeakPolarHBondContact O-CB 3.13Å; I175-L178 PolarHBondContact O-N 3.29Å; L178-F181 PolarHBondContact O-N 2.91Å; L178-F181 VanDerWaalsContact O-N 3.15Å; L178-H182 WeakPolarHBondContact O-CB 3.45Å; L178-H182 PolarHBondContact O-N 3.03Å
179L97.4Very high96.2Very high25 Ų2565 Ų6513%0.13131%0.305CS..Hα-helixtrans-60.7-45.6175.1-75.5169.4000111.5C141 C144 M145 L148 I175 Q176 F181 H182 D183C141-L179 HydrophobicContact CB-CD2 4.46Å; C144-L179 HydrophobicContact CB-CD1 4.3Å; C144-L179 HydrophobicContact CB-CD2 3.56Å; C144-L179 HydrophobicContact CB-CG 3.86Å; M145-L179 HydrophobicContact SD-CD1 4.15Å; L148-L179 HydrophobicContact CD1-CD1 4.11Å; I175-L179 HydrophobicContact CG2-CD1 4.3Å; I175-L179 HydrophobicContact CG2-CG 4.5Å; I175-L179 PolarHBondContact O-N 2.82Å; Q176-L179 PolarHBondContact O-N 2.75Å; L179-F181 PolarHBondContact O-N 3.2Å; L179-H182 VanDerWaalsContact O-CB 3.31Å; L179-H182 WeakPolarHBondContact O-CB 3.3Å; L179-H182 PolarHBondContact O-N 2.82Å; L179-H182 VanDerWaalsContact O-N 3.17Å; L179-D183 PolarHBondContact O-N 3.05Å
180K97.5Very high96.1Very high126 Ų12662.5 Ų62.555%0.54830%0.296SS..Hα-helixtrans-60.3-35.9174.2-72.1173.7-176.1178.50112.5Q176 G177 R184Q176-K180 WeakPolarHBondContact O-CG 3.35Å; Q176-K180 PolarHBondContact O-N 3.5Å; G177-K180 PolarHBondContact O-N 3.19Å; K180-R184 WeakPolarHBondContact O-CG 3.37Å; K180-R184 PolarHBondContact O-N 3.42Å
181F96.4Very high96Very high70 Ų7061.9 Ų61.931%0.30729%0.293SS..Hα-helixtrans-71-41.6176.8-177.5-137.8000111.5L106 A110 G177 L178 L179 D183 R184 L185L106-F181 HydrophobicContact CD2-CB 4.15Å; L106-F181 HydrophobicContact CD2-CD1 3.5Å; L106-F181 VanDerWaalsContact CD2-CD1 3.5Å; L106-F181 HydrophobicContact CD2-CE1 4.32Å; L106-F181 HydrophobicContact CD2-CG 4.21Å; L106-F181 HydrophobicContact CG-CD1 3.75Å; L106-F181 HydrophobicContact CG-CE1 4.09Å; A110-F181 HydrophobicContact CB-CE1 4.14Å; A110-F181 HydrophobicContact CB-CZ 3.66Å; G177-F181 PolarHBondContact O-N 2.84Å; L178-F181 PolarHBondContact O-N 2.91Å; L178-F181 VanDerWaalsContact O-N 3.15Å; L179-F181 PolarHBondContact O-N 3.2Å; F181-D183 VanDerWaalsContact C-N 3.34Å; F181-D183 PolarHBondContact O-N 2.8Å; F181-R184 PolarHBondContact O-N 2.79Å; F181-L185 HydrophobicContact CD1-CD1 4.41Å; F181-L185 HydrophobicContact CD2-CG 4.34Å; F181-L185 HydrophobicContact CE1-CD1 4.06Å; F181-L185 HydrophobicContact CE2-CD1 4.23Å; F181-L185 HydrophobicContact CE2-CD2 4.07Å; F181-L185 HydrophobicContact CE2-CG 4.02Å; F181-L185 HydrophobicContact CZ-CD1 3.97Å; F181-L185 HydrophobicContact CZ-CD2 4.21Å; F181-L185 HydrophobicContact CZ-CG 4.22Å; F181-L185 WeakPolarHBondContact O-CG 3.4Å; F181-L185 PolarHBondContact O-N 3.15Å; F181-L185 VanDerWaalsContact O-N 3.08Å
182H96.8Very high95.8Very high8 Ų863.7 Ų63.74%0.03730%0.3CS..Hα-helixtrans-53.4-50.2170.6161.5-80.5000111.6L106 L137 L178 L179 R184 L185 L186L106-H182 HydrophobicContact CD1-CB 4.06Å; L106-H182 HydrophobicContact CD2-CB 4.39Å; L137-H182 PolarHBondContact O-CD2 3.01Å; L137-H182 VanDerWaalsContact O-CD2 3.23Å; L137-H182 PolarHBondContact O-NE2 2.87Å; L137-H182 VanDerWaalsContact O-NE2 3.07Å; L178-H182 WeakPolarHBondContact O-CB 3.45Å; L178-H182 PolarHBondContact O-N 3.03Å; L179-H182 VanDerWaalsContact O-CB 3.31Å; L179-H182 WeakPolarHBondContact O-CB 3.3Å; L179-H182 PolarHBondContact O-N 2.82Å; L179-H182 VanDerWaalsContact O-N 3.17Å; H182-R184 VanDerWaalsContact C-N 3.31Å; H182-R184 PolarHBondContact O-N 2.79Å; H182-L185 WeakPolarHBondContact O-CB 3.43Å; H182-L185 PolarHBondContact O-N 2.89Å; H182-L185 VanDerWaalsContact O-N 3.07Å; H182-L186 VanDerWaalsContact CE1-CD1 3.48Å; H182-L186 WeakPolarHBondContact CE1-CD1 3.48Å; H182-L186 PolarHBondContact O-N 3.38Å
183D96.7Very high95.5Very high87 Ų8763.9 Ų63.947%0.46530%0.299SS..Hα-helixtrans-61.1-41.3-176.8-62.3-17000111.5L179 F181 L185 L186 E187L179-D183 PolarHBondContact O-N 3.05Å; F181-D183 VanDerWaalsContact C-N 3.34Å; F181-D183 PolarHBondContact O-N 2.8Å; D183-L185 PolarHBondContact O-N 2.73Å; D183-L186 PolarHBondContact O-N 3.21Å; D183-E187 WeakPolarHBondContact O-CB 3.23Å; D183-E187 PolarHBondContact O-N 3.25Å
184R96.7Very high95.3Very high163 Ų16365.7 Ų65.762%0.61530%0.302SS*.Hα-helixtrans-63.1-38.8174.8-69176.9-159.2-177.63113.1K180 F181 H182 L186 R188K180-R184 WeakPolarHBondContact O-CG 3.37Å; K180-R184 PolarHBondContact O-N 3.42Å; F181-R184 PolarHBondContact O-N 2.79Å; H182-R184 VanDerWaalsContact C-N 3.31Å; H182-R184 PolarHBondContact O-N 2.79Å; R184-L186 VanDerWaalsContact C-N 3.32Å; R184-R188 VanDerWaalsContact O-CB 3.28Å; R184-R188 WeakPolarHBondContact O-CB 2.98Å; R184-R188 PolarHBondContact O-N 3Å
185L95.4Very high95Very high9 Ų965.3 Ų65.35%0.04731%0.306CS..Hα-helixtrans-67-39177.3-70.8174.6000111L106 A110 V113 L137 F181 H182 D183 L189L106-L185 HydrophobicContact CD1-CD1 4Å; L106-L185 HydrophobicContact CG-CD1 4.22Å; A110-L185 HydrophobicContact CB-CD1 3.8Å; A110-L185 HydrophobicContact CB-CD2 3.76Å; A110-L185 HydrophobicContact CB-CG 4.42Å; V113-L185 HydrophobicContact CB-CD2 4.44Å; V113-L185 HydrophobicContact CG1-CD2 4.46Å; L137-L185 HydrophobicContact CD1-CB 4.43Å; L137-L185 HydrophobicContact CD2-CB 4.36Å; L137-L185 HydrophobicContact CD2-CD1 4.24Å; F181-L185 HydrophobicContact CD1-CD1 4.41Å; F181-L185 HydrophobicContact CD2-CG 4.34Å; F181-L185 HydrophobicContact CE1-CD1 4.06Å; F181-L185 HydrophobicContact CE2-CD1 4.23Å; F181-L185 HydrophobicContact CE2-CD2 4.07Å; F181-L185 HydrophobicContact CE2-CG 4.02Å; F181-L185 HydrophobicContact CZ-CD1 3.97Å; F181-L185 HydrophobicContact CZ-CD2 4.21Å; F181-L185 HydrophobicContact CZ-CG 4.22Å; F181-L185 WeakPolarHBondContact O-CG 3.4Å; F181-L185 PolarHBondContact O-N 3.15Å; F181-L185 VanDerWaalsContact O-N 3.08Å; H182-L185 WeakPolarHBondContact O-CB 3.43Å; H182-L185 PolarHBondContact O-N 2.89Å; H182-L185 VanDerWaalsContact O-N 3.07Å; D183-L185 PolarHBondContact O-N 2.73Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 PolarHBondContact O-N 3.03Å; L185-L189 VanDerWaalsContact O-N 3.12Å
186L94.4Very high94.5Very high29 Ų2966.2 Ų66.215%0.15231%0.31CS..Hα-helixtrans-68.8-49.8179.5-145146.8000110.4L137 H182 D183 R184 R188 L189 E190L137-L186 HydrophobicContact CB-CD1 4.13Å; L137-L186 HydrophobicContact CD1-CB 4.46Å; L137-L186 HydrophobicContact CD1-CD1 4.44Å; L137-L186 HydrophobicContact CD1-CG 4.36Å; H182-L186 VanDerWaalsContact CE1-CD1 3.48Å; H182-L186 WeakPolarHBondContact CE1-CD1 3.48Å; H182-L186 PolarHBondContact O-N 3.38Å; D183-L186 PolarHBondContact O-N 3.21Å; R184-L186 VanDerWaalsContact C-N 3.32Å; L186-R188 VanDerWaalsContact C-N 3.35Å; L186-R188 PolarHBondContact O-N 3.34Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 2.89Å; L186-E190 HydrophobicContact CD2-CG 4.13Å; L186-E190 WeakPolarHBondContact O-CG 3.44Å; L186-E190 PolarHBondContact O-N 3.47Å
187E95.3Very high94Very high120 Ų12067.6 Ų67.656%0.56132%0.316SS*.Hα-helixtrans-52.1-51174.1-178.4176.1-142.600111.4D183 L189 E190 D191D183-E187 WeakPolarHBondContact O-CB 3.23Å; D183-E187 PolarHBondContact O-N 3.25Å; E187-L189 VanDerWaalsContact C-N 3.26Å; E187-L189 PolarHBondContact O-N 2.96Å; E187-E190 PolarHBondContact O-N 3.25Å; E187-D191 PolarHBondContact O-N 3.13Å
188R94.1Very high93.6Very high101 Ų10171.1 Ų71.138%0.38132%0.322SS..Hα-helixtrans-59.8-35.9178.2-177.4173.3174-160.1-10.9113.4D114 T117 R184 L186 Y192D114-R188 IonicContact OD1-CZ 3.07Å; D114-R188 IonicContact OD1-NH1 2.65Å; D114-R188 PolarHBondContact OD1-NH1 3.37Å; D114-R188 IonicContact OD1-NH2 2.72Å; D114-R188 PolarHBondContact OD1-NH2 2.83Å; T117-R188 HydrophobicContact CG2-CG 4.45Å; T117-R188 PolarHBondContact OG1-NH2 3.04Å; R184-R188 VanDerWaalsContact O-CB 3.28Å; R184-R188 WeakPolarHBondContact O-CB 2.98Å; R184-R188 PolarHBondContact O-N 3Å; L186-R188 VanDerWaalsContact C-N 3.35Å; L186-R188 PolarHBondContact O-N 3.34Å; R188-Y192 WeakPolarHBondContact O-CB 3.47Å; R188-Y192 PolarHBondContact O-N 3.41Å
189L93.3Very high92.9Very high0 Ų077.4 Ų77.40%035%0.351CS..Hα-helixtrans-71.6-35.2177-163.2110.4000111.1V113 V130 L133 R134 L185 L186 E187 M193V113-L189 HydrophobicContact CB-CD1 4.43Å; V113-L189 HydrophobicContact CG1-CD1 4.2Å; V113-L189 HydrophobicContact CG2-CD1 3.8Å; V130-L189 HydrophobicContact CB-CD2 4.19Å; V130-L189 HydrophobicContact CG1-CD2 3.42Å; V130-L189 VanDerWaalsContact CG1-CD2 3.42Å; V130-L189 HydrophobicContact CG1-CG 4.07Å; V130-L189 HydrophobicContact CG2-CD1 4.33Å; V130-L189 HydrophobicContact CG2-CD2 4.4Å; V130-L189 HydrophobicContact CG2-CG 4.31Å; L133-L189 HydrophobicContact CB-CD1 4.32Å; L133-L189 HydrophobicContact CD1-CD1 3.83Å; R134-L189 HydrophobicContact CG-CD2 3.63Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 PolarHBondContact O-N 3.03Å; L185-L189 VanDerWaalsContact O-N 3.12Å; L186-L189 WeakPolarHBondContact O-CB 3.45Å; L186-L189 PolarHBondContact O-N 2.89Å; E187-L189 VanDerWaalsContact C-N 3.26Å; E187-L189 PolarHBondContact O-N 2.96Å; L189-M193 VanDerWaalsContact O-CG 3.28Å; L189-M193 WeakPolarHBondContact O-CG 3.33Å; L189-M193 PolarHBondContact O-N 2.91Å
190E92.8Very high91.8Very high92 Ų9283.4 Ų83.443%0.4337%0.372SS..Hα-helixtrans-70.5-44.3175.4-59.7-152.1147.300112.4R134 L186 E187 Y192 M193 K194R134-E190 IonicContact CZ-OE1 3.86Å; R134-E190 IonicContact NH2-OE1 3.69Å; L186-E190 HydrophobicContact CD2-CG 4.13Å; L186-E190 WeakPolarHBondContact O-CG 3.44Å; L186-E190 PolarHBondContact O-N 3.47Å; E187-E190 PolarHBondContact O-N 3.25Å; E190-Y192 PolarHBondContact O-N 3.45Å; E190-M193 PolarHBondContact O-N 2.78Å; E190-K194 WeakPolarHBondContact O-CB 3.21Å; E190-K194 PolarHBondContact O-N 2.98Å
191D93.5Very high90.3Very high84 Ų8488.4 Ų88.445%0.44939%0.394SS..Hα-helixtrans-58.7-47.8176.9-73.5-21.7000111.1E187 M193 K194 E195E187-D191 PolarHBondContact O-N 3.13Å; D191-M193 VanDerWaalsContact C-N 3.29Å; D191-M193 PolarHBondContact O-N 3.23Å; D191-K194 WeakPolarHBondContact O-CB 3.45Å; D191-K194 PolarHBondContact O-N 3.48Å; D191-K194 VanDerWaalsContact O-N 3.14Å; D191-E195 WeakPolarHBondContact O-CG 3.49Å; D191-E195 PolarHBondContact O-N 3.34Å
192Y91.9Very high90Very high38 Ų3889.4 Ų89.415%0.14940%0.398CS..Hα-helixtrans-59.4-39.7176.6175.5-103.7000112.8I116 T117 V126 R188 E190 R196I116-Y192 HydrophobicContact CG2-CD1 4.29Å; I116-Y192 HydrophobicContact CG2-CE1 3.73Å; I116-Y192 PolarHBondContact O-OH 3.17Å; T117-Y192 HydrophobicContact CG2-CD1 4.29Å; T117-Y192 HydrophobicContact CG2-CD2 4.17Å; T117-Y192 HydrophobicContact CG2-CG 3.86Å; V126-Y192 HydrophobicContact CG1-CE1 3.99Å; R188-Y192 WeakPolarHBondContact O-CB 3.47Å; R188-Y192 PolarHBondContact O-N 3.41Å; E190-Y192 PolarHBondContact O-N 3.45Å; Y192-R196 HydrophobicContact CE2-CG 4.43Å; Y192-R196 VanDerWaalsContact CZ-CD 3.49Å; Y192-R196 WeakPolarHBondContact O-CG 3.42Å; Y192-R196 PolarHBondContact O-N 3.25Å; Y192-R196 WeakPolarHBondContact OH-CD 3.32Å
193M91.6Very high89.6Confident21 Ų2193.6 Ų93.610%0.10342%0.417CS..Hα-helixtrans-68.8-37.9177.3-76-58.6-63.100112.1V126 N127 V130 L189 E190 D191 R196 E197V126-M193 HydrophobicContact CG1-SD 4.22Å; N127-M193 WeakPolarHBondContact OD1-CE 3.42Å; V130-M193 HydrophobicContact CB-CG 4.45Å; V130-M193 HydrophobicContact CB-SD 4.16Å; V130-M193 HydrophobicContact CG1-CE 4.46Å; V130-M193 HydrophobicContact CG1-CG 3.59Å; V130-M193 HydrophobicContact CG1-SD 3.89Å; V130-M193 HydrophobicContact CG2-CG 4.2Å; V130-M193 HydrophobicContact CG2-SD 3.75Å; L189-M193 VanDerWaalsContact O-CG 3.28Å; L189-M193 WeakPolarHBondContact O-CG 3.33Å; L189-M193 PolarHBondContact O-N 2.91Å; E190-M193 PolarHBondContact O-N 2.78Å; D191-M193 VanDerWaalsContact C-N 3.29Å; D191-M193 PolarHBondContact O-N 3.23Å; M193-R196 PolarHBondContact O-N 2.92Å; M193-E197 WeakPolarHBondContact O-CG 3.48Å; M193-E197 PolarHBondContact O-N 3.15Å
194K92.2Very high89.2Confident123 Ų12394 Ų9454%0.53541%0.414SS..Hα-helixtrans-65.7-46.2177.9-172.1-177.8173.9-169.40111.6E190 D191 R196 E197 E198E190-K194 WeakPolarHBondContact O-CB 3.21Å; E190-K194 PolarHBondContact O-N 2.98Å; D191-K194 WeakPolarHBondContact O-CB 3.45Å; D191-K194 PolarHBondContact O-N 3.48Å; D191-K194 VanDerWaalsContact O-N 3.14Å; K194-R196 VanDerWaalsContact C-N 3.29Å; K194-R196 PolarHBondContact O-N 3.37Å; K194-E197 PolarHBondContact O-N 2.84Å; K194-E198 WeakPolarHBondContact CE-OE1 3.43Å; K194-E198 WeakPolarHBondContact O-CG 3.46Å; K194-E198 PolarHBondContact O-N 3.22Å
195E90.8Very high88.8Confident120 Ų12089.9 Ų89.956%0.56140%0.402SS*.Hα-helixtrans-56.2-44.2175.1-72.717717100111.2D191 E197 E198 E199D191-E195 WeakPolarHBondContact O-CG 3.49Å; D191-E195 PolarHBondContact O-N 3.34Å; E195-E197 PolarHBondContact O-N 3.27Å; E195-E198 PolarHBondContact O-N 2.85Å; E195-E199 WeakPolarHBondContact O-CG 3.45Å; E195-E199 PolarHBondContact O-N 3.32Å
196R87.7Confident88.4Confident20 Ų2095 Ų958%0.07543%0.425CS..Hα-helixtrans-68.5-31.4178-74.7-165.868.9-149.70.7114.7D123 Y192 M193 K194 E198 R200D123-R196 IonicContact OD1-CZ 3.53Å; D123-R196 IonicContact OD1-NH2 2.81Å; D123-R196 PolarHBondContact OD1-NH2 3.09Å; D123-R196 IonicContact OD2-CZ 3.92Å; D123-R196 IonicContact OD2-NH2 2.74Å; D123-R196 PolarHBondContact OD2-NH2 3.33Å; Y192-R196 HydrophobicContact CE2-CG 4.43Å; Y192-R196 VanDerWaalsContact CZ-CD 3.49Å; Y192-R196 WeakPolarHBondContact O-CG 3.42Å; Y192-R196 PolarHBondContact O-N 3.25Å; Y192-R196 WeakPolarHBondContact OH-CD 3.32Å; M193-R196 PolarHBondContact O-N 2.92Å; K194-R196 VanDerWaalsContact C-N 3.29Å; K194-R196 PolarHBondContact O-N 3.37Å; R196-E198 VanDerWaalsContact C-N 3.33Å; R196-R200 VanDerWaalsContact NH2-NH2 3.16Å; R196-R200 WeakPolarHBondContact O-CG 3.42Å; R196-R200 PolarHBondContact O-N 3.14Å
197E85.9Confident88Confident119 Ų11999.4 Ų99.456%0.55644%0.443SS*.Hα-helixtrans-70.5-32.9172.7-77.4-174.8175.500111.9M193 K194 E195M193-E197 WeakPolarHBondContact O-CG 3.48Å; M193-E197 PolarHBondContact O-N 3.15Å; K194-E197 PolarHBondContact O-N 2.84Å; E195-E197 PolarHBondContact O-N 3.27Å
198E88.4Confident87.5Confident113 Ų11397.9 Ų97.953%0.52843%0.434SS..Hα-helixtrans-70.2-40.5175.1-70.8174.9-177.100111.7K194 E195 R196 R200 K201K194-E198 WeakPolarHBondContact CE-OE1 3.43Å; K194-E198 WeakPolarHBondContact O-CG 3.46Å; K194-E198 PolarHBondContact O-N 3.22Å; E195-E198 PolarHBondContact O-N 2.85Å; R196-E198 VanDerWaalsContact C-N 3.33Å; E198-R200 PolarHBondContact O-N 3.09Å; E198-K201 PolarHBondContact O-N 3.09Å
199E82Confident87Confident158 Ų15897.7 Ų97.774%0.73844%0.438SS*.Hα-helixtrans-65.4-21.3175.9-72.1179.9165.400114.3E195E195-E199 WeakPolarHBondContact O-CG 3.45Å; E195-E199 PolarHBondContact O-N 3.32Å
200R74.7Confident86.4Confident151 Ų151105.8 Ų105.857%0.5748%0.475SS*.THydrogen-bonded Turntrans-88.4-7.3179.5-76.9-179.3175.4-172.6-0.3114.1D123 R196 E198D123-R200 IonicContact OD2-NH2 3.18Å; D123-R200 PolarHBondContact OD2-NH2 3Å; R196-R200 VanDerWaalsContact NH2-NH2 3.16Å; R196-R200 WeakPolarHBondContact O-CG 3.42Å; R196-R200 PolarHBondContact O-N 3.14Å; E198-R200 PolarHBondContact O-N 3.09Å
201K65.8Low85.9Confident231 Ų231107.1 Ų107.1100%1.00448%0.479SS*.  trans-94.40178.8-73.4178.8-176.2170.90111.7E198E198-K201 PolarHBondContact O-N 3.09Å

Retrieved 201 of 201 residues in 198.2 ms (Link to these results)

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