A0A077YWV9_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YWV9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 538 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
1M42.9Very low80.1Confident235 Ų23587.2 Ų87.2100%1.15845%0.454SS*.  091.10-66.7-176-151.100109G3M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.48Å; M1-G3 VanDerWaalsContact O-N 3.12Å
2N55.1Low81.3Confident165 Ų16581 Ų8188%0.88242%0.421SS*.  trans-82.585.1172.4-72.1-16.5000107.5
3G61.9Low82.4Confident27 Ų2780.9 Ų80.928%0.27842%0.421SS..PPolyproline II helixtrans-56.8143.717500000110.5M1 L5M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.48Å; M1-G3 VanDerWaalsContact O-N 3.12Å; G3-L5 PolarHBondContact O-N 3.13Å
4L82.9Confident83.2Confident111 Ų11180.1 Ų80.158%0.58142%0.417SS*.PPolyproline II helixtrans-49.9132.7179.2-170.575.6000110.1L12L4-L12 HydrophobicContact CB-CD1 4.24Å; L4-L12 HydrophobicContact CD2-CD1 4.01Å; L4-L12 WeakPolarHBondContact O-CG 3.28Å; L4-L12 PolarHBondContact O-N 3.14Å
5L88.1Confident83.9Confident80 Ų8080.7 Ų80.742%0.41942%0.417SS..EExtended strand (participates in β ladder)trans-93.6134.2174.9-72.3169.9000109.5G3 Y10 R11 V30G3-L5 PolarHBondContact O-N 3.13Å; L5-Y10 CarbonylContact C-O 3.54Å; L5-Y10 VanDerWaalsContact CA-O 3.32Å; L5-Y10 WeakPolarHBondContact CA-O 3.15Å; L5-R11 HydrophobicContact CD2-CB 3.95Å; L5-R11 HydrophobicContact CD2-CG 4.45Å; L5-V30 HydrophobicContact CD2-CG2 4.01Å
6V87.3Confident84.2Confident1 Ų180.4 Ų80.41%0.00642%0.415CS..EExtended strand (participates in β ladder)trans-101.9122.4168.81780000108.4S8 R9 Y10 L12 I75 Y82V6-S8 PolarHBondContact O-N 3.3Å; V6-R9 PolarHBondContact O-N 3.32Å; V6-Y10 PolarHBondContact N-O 3.37Å; V6-Y10 PolarHBondContact O-N 3.46Å; V6-Y10 VanDerWaalsContact O-N 3.09Å; V6-L12 HydrophobicContact CG2-CD1 4.05Å; V6-L12 HydrophobicContact CG2-CD2 3.86Å; V6-L12 HydrophobicContact CG2-CG 3.98Å; V6-I75 HydrophobicContact CG1-CD1 4.34Å; V6-I75 HydrophobicContact CG1-CG2 4.28Å; V6-Y82 HydrophobicContact CG1-CD1 3.99Å; V6-Y82 HydrophobicContact CG1-CD2 3.97Å; V6-Y82 HydrophobicContact CG1-CE1 4.18Å; V6-Y82 HydrophobicContact CG1-CE2 4.19Å; V6-Y82 HydrophobicContact CG1-CG 3.88Å; V6-Y82 HydrophobicContact CG2-CD1 4.22Å; V6-Y82 HydrophobicContact CG2-CE1 3.92Å
7A87Confident84.2Confident19 Ų1977.5 Ų77.516%0.15741%0.409CS..THydrogen-bonded Turntrans46.832-176.900000114.5R9 I75 E77A7-R9 WeakPolarHBondContact O-CG 3.21Å; A7-R9 PolarHBondContact O-N 3.3Å; A7-R9 PolarHBondContact O-NH1 3.18Å; A7-I75 HydrophobicContact CB-CD1 4.37Å; A7-I75 HydrophobicContact CB-CG2 3.62Å; A7-E77 PolarHBondContact N-OE2 3.11Å
8S90.1Very high84Confident92 Ų9278.9 Ų78.964%0.64342%0.417SS*.THydrogen-bonded Turntrans55.29.1-173-57.40000115.4V6V6-S8 PolarHBondContact O-N 3.3Å
9R93.6Very high83.4Confident97 Ų9776.6 Ų76.637%0.36641%0.414SS..THydrogen-bonded Turntrans-109.6-25.2-175-72.5-167.1-62.7-77.19113.4V6 A7 R29 V30 E73V6-R9 PolarHBondContact O-N 3.32Å; A7-R9 WeakPolarHBondContact O-CG 3.21Å; A7-R9 PolarHBondContact O-N 3.3Å; A7-R9 PolarHBondContact O-NH1 3.18Å; R9-R29 CarbonylContact O-C 3.38Å; R9-R29 WeakPolarHBondContact O-CA 3.24Å; R9-V30 WeakPolarHBondContact O-CG2 3.35Å; R9-V30 PolarHBondContact O-N 3.46Å; R9-E73 IonicContact CZ-OE1 3.53Å; R9-E73 IonicContact NE-OE1 3.47Å; R9-E73 PolarHBondContact NE-OE1 3.18Å; R9-E73 IonicContact NE-OE2 2.77Å; R9-E73 IonicContact NH2-OE1 2.65Å; R9-E73 PolarHBondContact NH2-OE1 3.2Å
10Y96.3Very high82.7Confident5 Ų578.7 Ų78.72%0.0243%0.43CS..EExtended strand (participates in β ladder)trans-129.1122.7-174.4-63.1-81.1000111L5 V6 K28 R29 V36 E73 I75 V84L5-Y10 CarbonylContact C-O 3.54Å; L5-Y10 VanDerWaalsContact CA-O 3.32Å; L5-Y10 WeakPolarHBondContact CA-O 3.15Å; V6-Y10 PolarHBondContact N-O 3.37Å; V6-Y10 PolarHBondContact O-N 3.46Å; V6-Y10 VanDerWaalsContact O-N 3.09Å; Y10-K28 WeakPolarHBondContact CA-O 3.46Å; Y10-R29 HydrophobicContact CD1-CB 4.1Å; Y10-R29 HydrophobicContact CD1-CG 4.41Å; Y10-R29 HydrophobicContact CE1-CB 3.82Å; Y10-R29 HydrophobicContact CE1-CG 3.9Å; Y10-V36 HydrophobicContact CD1-CG2 3.58Å; Y10-V36 HydrophobicContact CE1-CG1 4.23Å; Y10-V36 HydrophobicContact CE1-CG2 3.81Å; Y10-E73 PolarHBondContact OH-OE2 2.73Å; Y10-I75 HydrophobicContact CD2-CD1 3.73Å; Y10-I75 HydrophobicContact CE2-CD1 3.61Å; Y10-V84 HydrophobicContact CD1-CG1 4.46Å; Y10-V84 HydrophobicContact CD2-CG2 4.37Å; Y10-V84 HydrophobicContact CE1-CG1 3.81Å; Y10-V84 HydrophobicContact CE2-CG1 4.48Å; Y10-V84 HydrophobicContact CE2-CG2 4.04Å
11R95.9Very high82.5Confident127 Ų12780.1 Ų80.148%0.47943%0.432SS..EExtended strand (participates in β ladder)trans-91.8113.8174-174.2178.4-63.2174.31.5109.4L5 A27 K28L5-R11 HydrophobicContact CD2-CB 3.95Å; L5-R11 HydrophobicContact CD2-CG 4.45Å; R11-A27 CarbonylContact O-C 3.58Å; R11-A27 WeakPolarHBondContact O-CA 3.37Å; R11-A27 WeakPolarHBondContact O-CB 3.5Å; R11-K28 PolarHBondContact N-O 3.03Å; R11-K28 PolarHBondContact O-N 3.26Å
12L95.1Very high84.4Confident13 Ų1369 Ų697%0.06838%0.378CS..EExtended strand (participates in β ladder)trans-67.6138174.7-57-171000109.9L4 V6 W25 A27 V38L4-L12 HydrophobicContact CB-CD1 4.24Å; L4-L12 HydrophobicContact CD2-CD1 4.01Å; L4-L12 WeakPolarHBondContact O-CG 3.28Å; L4-L12 PolarHBondContact O-N 3.14Å; V6-L12 HydrophobicContact CG2-CD1 4.05Å; V6-L12 HydrophobicContact CG2-CD2 3.86Å; V6-L12 HydrophobicContact CG2-CG 3.98Å; L12-W25 HydrophobicContact CB-CD2 4.5Å; L12-W25 HydrophobicContact CB-CE3 3.95Å; L12-W25 HydrophobicContact CD1-CD2 4.14Å; L12-W25 HydrophobicContact CD1-CE3 4.31Å; L12-W25 HydrophobicContact CD1-CG 4.27Å; L12-W25 HydrophobicContact CD2-CB 4Å; L12-W25 HydrophobicContact CD2-CG 4.48Å; L12-A27 HydrophobicContact CD2-CB 3.78Å; L12-V38 HydrophobicContact CD2-CB 4.29Å; L12-V38 HydrophobicContact CD2-CG1 4.49Å; L12-V38 HydrophobicContact CD2-CG2 4.4Å
13I95Very high86.1Confident80 Ų8062.1 Ų62.141%0.4134%0.341SS..EExtended strand (participates in β ladder)trans-109.5-66.2-177.5-60.3176.4000109.8L26 K28I13-L26 HydrophobicContact CB-CG 4.41Å; I13-L26 WeakPolarHBondContact CB-O 3.4Å; I13-L26 HydrophobicContact CD1-CG 4.28Å; I13-L26 PolarHBondContact N-O 3.46Å; I13-K28 HydrophobicContact CD1-CB 4.31Å; I13-K28 HydrophobicContact CD1-CD 3.78Å; I13-K28 HydrophobicContact CD1-CG 3.66Å
14N94.2Very high87.5Confident70 Ų7062.8 Ų62.837%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-151.1152.6179.365.7-82.5000110I16 W25 L26N14-I16 WeakPolarHBondContact ND2-CG2 3.4Å; N14-W25 WeakPolarHBondContact O-CA 3.27Å; N14-L26 PolarHBondContact N-O 3.01Å; N14-L26 PolarHBondContact O-N 3.04Å
15E92.7Very high88.1Confident89 Ų8960.4 Ų60.442%0.41632%0.323SS..EExtended strand (participates in β ladder)trans-67.4139170.2-160.7179.9136.900109.7D18 W25E15-D18 WeakPolarHBondContact OE1-CB 3.48Å; E15-W25 HydrophobicContact CB-CD2 4.25Å; E15-W25 HydrophobicContact CB-CE3 4.48Å; E15-W25 HydrophobicContact CB-CH2 4.45Å; E15-W25 HydrophobicContact CB-CZ2 4.22Å
16I89.5Confident88.5Confident76 Ų7657.4 Ų57.439%0.3931%0.307SS..EExtended strand (participates in β ladder)trans-125-3.3179.359.3172.9000112.6N14 V24 L26 A37 Y87N14-I16 WeakPolarHBondContact ND2-CG2 3.4Å; I16-V24 HydrophobicContact CD1-CG1 3.92Å; I16-V24 HydrophobicContact CG1-CB 4.15Å; I16-V24 HydrophobicContact CG1-CG1 3.8Å; I16-V24 WeakPolarHBondContact CG1-O 3.37Å; I16-V24 PolarHBondContact N-O 2.98Å; I16-L26 HydrophobicContact CD1-CB 4.42Å; I16-L26 HydrophobicContact CG2-CB 3.81Å; I16-A37 HydrophobicContact CD1-CB 4.33Å; I16-Y87 HydrophobicContact CD1-CE2 4.41Å
17G83.2Confident88.9Confident30 Ų3057.4 Ų57.431%0.30931%0.307SS..EExtended strand (participates in β ladder)trans-176.3145.8171.600000112E23 V24G17-E23 CarbonylContact O-C 3.55Å; G17-V24 PolarHBondContact N-O 3.07Å; G17-V24 PolarHBondContact O-N 3.01Å
18D80.7Confident89.4Confident103 Ų10360.2 Ų60.255%0.55132%0.315SS*.EExtended strand (participates in β ladder)trans-122.1118.7171.9-170.816.6000109.4E15 K42E15-D18 WeakPolarHBondContact OE1-CB 3.48Å; D18-K42 VanDerWaalsContact OD1-CE 3.27Å; D18-K42 WeakPolarHBondContact OD1-CE 3.34Å; D18-K42 IonicContact OD1-NZ 2.81Å; D18-K42 PolarHBondContact OD1-NZ 2.83Å; D18-K42 IonicContact OD2-NZ 3.75Å; D18-K42 PolarHBondContact OD2-NZ 2.84Å
19G72.7Confident89.7Confident35 Ų3560.7 Ų60.736%0.36130%0.303SS..  trans-116.3172.1-179.100000112.4F21 G22 K42G19-F21 PolarHBondContact O-N 3.35Å; G19-G22 CarbonylContact C-O 3.53Å; G19-G22 WeakPolarHBondContact CA-O 3.34Å; G19-G22 PolarHBondContact N-O 3.48Å; G19-G22 PolarHBondContact O-N 2.85Å; G19-K42 PolarHBondContact O-NZ 3.11Å
20T70.7Confident89.8Confident118 Ų11859.5 Ų59.572%0.72431%0.306SS*.SBendtrans-57.4-37.5179-48.40000112.6
21F77.3Confident89.7Confident109 Ų10962.7 Ų62.748%0.47834%0.341SS..SBendtrans-99.7-13.7-173.1-57.3-69.9000114.3G19 M41 K42G19-F21 PolarHBondContact O-N 3.35Å; F21-M41 HydrophobicContact CB-CE 4.2Å; F21-K42 PolarHBondContact O-N 3.23Å
22G83.3Confident89.7Confident3 Ų360.4 Ų60.43%0.03134%0.341CS..EExtended strand (participates in β ladder)trans179.6160.9-170.700000112.5G19 R40G19-G22 CarbonylContact C-O 3.53Å; G19-G22 WeakPolarHBondContact CA-O 3.34Å; G19-G22 PolarHBondContact N-O 3.48Å; G19-G22 PolarHBondContact O-N 2.85Å; G22-R40 CarbonylContact C-O 3.57Å; G22-R40 WeakPolarHBondContact CA-O 3.4Å
23E90.1Very high89.6Confident20 Ų2065.1 Ų65.19%0.09337%0.367CS..EExtended strand (participates in β ladder)trans-103147.417260.4-173.2-13800109.3G17 W25 K39 R40G17-E23 CarbonylContact O-C 3.55Å; E23-W25 PolarHBondContact OE1-NE1 3.39Å; E23-K39 CarbonylContact O-C 3.57Å; E23-K39 VanDerWaalsContact O-CA 3.31Å; E23-K39 WeakPolarHBondContact O-CA 3.4Å; E23-R40 HydrophobicContact CG-CB 3.82Å; E23-R40 PolarHBondContact N-O 3.04Å; E23-R40 PolarHBondContact O-N 3.31Å; E23-R40 IonicContact OE1-CZ 3.69Å; E23-R40 IonicContact OE1-NE 3.28Å; E23-R40 PolarHBondContact OE1-NE 2.88Å; E23-R40 IonicContact OE1-NH1 3.63Å; E23-R40 PolarHBondContact OE1-NH1 3.38Å; E23-R40 IonicContact OE1-NH2 2.94Å; E23-R40 PolarHBondContact OE1-NH2 3.2Å; E23-R40 IonicContact OE2-CZ 3.32Å; E23-R40 IonicContact OE2-NE 2.7Å; E23-R40 IonicContact OE2-NH2 2.66Å; E23-R40 PolarHBondContact OE2-NH2 2.97Å
24V92.5Very high89.7Confident40 Ų4065.3 Ų65.324%0.24237%0.365CS..EExtended strand (participates in β ladder)trans-116.7125.4-176.8-1710000108.8I16 G17 A37 V38 K39I16-V24 HydrophobicContact CD1-CG1 3.92Å; I16-V24 HydrophobicContact CG1-CB 4.15Å; I16-V24 HydrophobicContact CG1-CG1 3.8Å; I16-V24 WeakPolarHBondContact CG1-O 3.37Å; I16-V24 PolarHBondContact N-O 2.98Å; G17-V24 PolarHBondContact N-O 3.07Å; G17-V24 PolarHBondContact O-N 3.01Å; V24-A37 HydrophobicContact CG1-CB 4.17Å; V24-V38 WeakPolarHBondContact CA-O 3.45Å; V24-K39 HydrophobicContact CG2-CB 4.22Å; V24-K39 HydrophobicContact CG2-CG 4.16Å
25W95Very high89.8Confident62 Ų6267 Ų6724%0.23537%0.37CS..EExtended strand (participates in β ladder)trans-113.7137.6179.8-72.173.5000111.1L12 N14 E15 E23 A27 A37 V38L12-W25 HydrophobicContact CB-CD2 4.5Å; L12-W25 HydrophobicContact CB-CE3 3.95Å; L12-W25 HydrophobicContact CD1-CD2 4.14Å; L12-W25 HydrophobicContact CD1-CE3 4.31Å; L12-W25 HydrophobicContact CD1-CG 4.27Å; L12-W25 HydrophobicContact CD2-CB 4Å; L12-W25 HydrophobicContact CD2-CG 4.48Å; N14-W25 WeakPolarHBondContact O-CA 3.27Å; E15-W25 HydrophobicContact CB-CD2 4.25Å; E15-W25 HydrophobicContact CB-CE3 4.48Å; E15-W25 HydrophobicContact CB-CH2 4.45Å; E15-W25 HydrophobicContact CB-CZ2 4.22Å; E23-W25 PolarHBondContact OE1-NE1 3.39Å; W25-A27 PolarHBondContact O-N 3.25Å; W25-A37 CarbonylContact O-C 3.59Å; W25-A37 WeakPolarHBondContact O-CA 3.49Å; W25-V38 PolarHBondContact N-O 3.03Å; W25-V38 PolarHBondContact O-N 3.18Å
26L95.7Very high90.1Very high17 Ų1762.8 Ų62.89%0.08935%0.35CS..EExtended strand (participates in β ladder)trans-69.7128.1158.317360000108.1I13 N14 I16 K35 Y87I13-L26 HydrophobicContact CB-CG 4.41Å; I13-L26 WeakPolarHBondContact CB-O 3.4Å; I13-L26 HydrophobicContact CD1-CG 4.28Å; I13-L26 PolarHBondContact N-O 3.46Å; N14-L26 PolarHBondContact N-O 3.01Å; N14-L26 PolarHBondContact O-N 3.04Å; I16-L26 HydrophobicContact CD1-CB 4.42Å; I16-L26 HydrophobicContact CG2-CB 3.81Å; L26-K35 HydrophobicContact CD1-CB 4.2Å; L26-K35 HydrophobicContact CD1-CD 4.38Å; L26-K35 HydrophobicContact CD1-CG 4.34Å; L26-Y87 HydrophobicContact CD1-CD2 3.6Å; L26-Y87 HydrophobicContact CD1-CE2 3.74Å; L26-Y87 HydrophobicContact CD1-CG 4.14Å
27A97.1Very high90.4Very high0 Ų059.8 Ų59.80%034%0.337CS..EExtended strand (participates in β ladder)trans-134.5165.6175.800000111.5R11 L12 W25 K35 V36 V38R11-A27 CarbonylContact O-C 3.58Å; R11-A27 WeakPolarHBondContact O-CA 3.37Å; R11-A27 WeakPolarHBondContact O-CB 3.5Å; L12-A27 HydrophobicContact CD2-CB 3.78Å; W25-A27 PolarHBondContact O-N 3.25Å; A27-K35 WeakPolarHBondContact O-CA 3.47Å; A27-V36 HydrophobicContact CB-CG2 3.93Å; A27-V36 PolarHBondContact N-O 3.48Å; A27-V36 PolarHBondContact O-N 3.49Å; A27-V38 HydrophobicContact CB-CG2 3.71Å
28K97.2Very high90.9Very high79 Ų7958.5 Ų58.534%0.34332%0.322SS..EExtended strand (participates in β ladder)trans-118.1136.4169.4-81.2174.2-174.8-178.90110.5Y10 R11 I13 E34 K35Y10-K28 WeakPolarHBondContact CA-O 3.46Å; R11-K28 PolarHBondContact N-O 3.03Å; R11-K28 PolarHBondContact O-N 3.26Å; I13-K28 HydrophobicContact CD1-CB 4.31Å; I13-K28 HydrophobicContact CD1-CD 3.78Å; I13-K28 HydrophobicContact CD1-CG 3.66Å; K28-E34 CarbonylContact C-O 3.53Å; K28-E34 VanDerWaalsContact CA-O 3.32Å; K28-E34 WeakPolarHBondContact CA-O 3.31Å; K28-K35 HydrophobicContact CG-CG 4.45Å
29R96.9Very high91.5Very high102 Ų10254.6 Ų54.639%0.38530%0.301SS..EExtended strand (participates in β ladder)trans-68130.1168.9-169.1179.1-172.3-144.2-0.6109.6R9 Y10 N33 E34R9-R29 CarbonylContact O-C 3.38Å; R9-R29 WeakPolarHBondContact O-CA 3.24Å; Y10-R29 HydrophobicContact CD1-CB 4.1Å; Y10-R29 HydrophobicContact CD1-CG 4.41Å; Y10-R29 HydrophobicContact CE1-CB 3.82Å; Y10-R29 HydrophobicContact CE1-CG 3.9Å; R29-N33 WeakPolarHBondContact O-CA 3.25Å; R29-N33 PolarHBondContact O-N 3.44Å; R29-E34 HydrophobicContact CB-CB 4.32Å; R29-E34 PolarHBondContact N-O 2.88Å
30V94.9Very high92.4Very high71 Ų7157.1 Ų57.143%0.4330%0.299SS..THydrogen-bonded Turntrans-64.6139.6175.6-179.70000109L5 R9 T32L5-V30 HydrophobicContact CD2-CG2 4.01Å; R9-V30 WeakPolarHBondContact O-CG2 3.35Å; R9-V30 PolarHBondContact O-N 3.46Å; V30-T32 VanDerWaalsContact C-N 3.32Å; V30-T32 PolarHBondContact O-N 3.18Å
31G93.7Very high93.3Very high73 Ų7352.3 Ų52.375%0.75327%0.269SS*.THydrogen-bonded Turntrans87.2-51.8-176.900000113.9
32T95.7Very high93.8Very high78 Ų7851.9 Ų51.948%0.47927%0.267SS..THydrogen-bonded Turntrans-92.3-16.2-177.667.80000114.3V30 E34V30-T32 VanDerWaalsContact C-N 3.32Å; V30-T32 PolarHBondContact O-N 3.18Å; T32-E34 PolarHBondContact O-N 3.48Å; T32-E34 WeakPolarHBondContact OG1-CB 3.13Å; T32-E34 PolarHBondContact OG1-N 3.46Å
33N94.1Very high94Very high113 Ų11358.9 Ų58.960%0.60429%0.292SS*.  trans55.815.5-171.1-72.9-54.4000114.8R29 K35R29-N33 WeakPolarHBondContact O-CA 3.25Å; R29-N33 PolarHBondContact O-N 3.44Å; N33-K35 PolarHBondContact O-N 2.56Å
34E96.9Very high94Very high83 Ų8362.8 Ų62.839%0.38831%0.309SS..  trans-63.7128.7178.2-172.7-169.1-177.300110.2K28 R29 T32 K72K28-E34 CarbonylContact C-O 3.53Å; K28-E34 VanDerWaalsContact CA-O 3.32Å; K28-E34 WeakPolarHBondContact CA-O 3.31Å; R29-E34 HydrophobicContact CB-CB 4.32Å; R29-E34 PolarHBondContact N-O 2.88Å; T32-E34 PolarHBondContact O-N 3.48Å; T32-E34 WeakPolarHBondContact OG1-CB 3.13Å; T32-E34 PolarHBondContact OG1-N 3.46Å; E34-K72 IonicContact OE1-NZ 3.59Å; E34-K72 PolarHBondContact OE1-NZ 2.87Å; E34-K72 IonicContact OE2-NZ 3.34Å; E34-K72 PolarHBondContact OE2-NZ 2.82Å
35K97Very high93.8Very high107 Ų10761 Ų6147%0.46530%0.298SS..EExtended strand (participates in β ladder)trans-72.5135.3174.7-69.2-176.1179.2-178.30110.6L26 A27 K28 N33 Y87L26-K35 HydrophobicContact CD1-CB 4.2Å; L26-K35 HydrophobicContact CD1-CD 4.38Å; L26-K35 HydrophobicContact CD1-CG 4.34Å; A27-K35 WeakPolarHBondContact O-CA 3.47Å; K28-K35 HydrophobicContact CG-CG 4.45Å; N33-K35 PolarHBondContact O-N 2.56Å; K35-Y87 HydrophobicContact CB-CD1 4.1Å; K35-Y87 HydrophobicContact CB-CG 4.11Å; K35-Y87 HydrophobicContact CD-CD1 4.15Å; K35-Y87 HydrophobicContact CD-CE1 4.25Å
36V97.2Very high93.5Very high0 Ų064.9 Ų64.90%032%0.317CS..EExtended strand (participates in β ladder)trans-138.1158.8175.8-640000110.3Y10 A27 V38 K72 V84 F85Y10-V36 HydrophobicContact CD1-CG2 3.58Å; Y10-V36 HydrophobicContact CE1-CG1 4.23Å; Y10-V36 HydrophobicContact CE1-CG2 3.81Å; A27-V36 HydrophobicContact CB-CG2 3.93Å; A27-V36 PolarHBondContact N-O 3.48Å; A27-V36 PolarHBondContact O-N 3.49Å; V36-V38 HydrophobicContact CG2-CG2 4Å; V36-K72 HydrophobicContact CG1-CD 4.3Å; V36-V84 HydrophobicContact CB-CG1 3.87Å; V36-V84 HydrophobicContact CG1-CG1 4.05Å; V36-V84 HydrophobicContact CG2-CG1 3.98Å; V36-F85 WeakPolarHBondContact CA-O 3.25Å; V36-F85 WeakPolarHBondContact CB-O 3.31Å
37A95.9Very high93.3Very high13 Ų1366.4 Ų66.411%0.10733%0.329CS..EExtended strand (participates in β ladder)trans-102.4125.6167.900000108.9I16 V24 W25 F85I16-A37 HydrophobicContact CD1-CB 4.33Å; V24-A37 HydrophobicContact CG1-CB 4.17Å; W25-A37 CarbonylContact O-C 3.59Å; W25-A37 WeakPolarHBondContact O-CA 3.49Å; A37-F85 HydrophobicContact CB-CB 4.38Å; A37-F85 PolarHBondContact N-O 3.44Å; A37-F85 VanDerWaalsContact N-O 3.09Å; A37-F85 PolarHBondContact O-N 3Å
38V95Very high92.7Very high2 Ų271.8 Ų71.81%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-111.7109-179-178.70000108.8L12 V24 W25 A27 V36 Y82 F83 V84L12-V38 HydrophobicContact CD2-CB 4.29Å; L12-V38 HydrophobicContact CD2-CG1 4.49Å; L12-V38 HydrophobicContact CD2-CG2 4.4Å; V24-V38 WeakPolarHBondContact CA-O 3.45Å; W25-V38 PolarHBondContact N-O 3.03Å; W25-V38 PolarHBondContact O-N 3.18Å; A27-V38 HydrophobicContact CB-CG2 3.71Å; V36-V38 HydrophobicContact CG2-CG2 4Å; V38-Y82 HydrophobicContact CG1-CD1 3.83Å; V38-Y82 HydrophobicContact CG1-CG 4.41Å; V38-F83 CarbonylContact C-O 3.59Å; V38-F83 WeakPolarHBondContact CA-O 3.19Å; V38-V84 HydrophobicContact CG2-CG2 4.42Å
39K92.3Very high92.4Very high21 Ų2173.4 Ų73.49%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-87.7108.4173.6-177.4175.7177.9-176.20108.7E23 V24 M41 E56 Y82 F83 F85 D149E23-K39 CarbonylContact O-C 3.57Å; E23-K39 VanDerWaalsContact O-CA 3.31Å; E23-K39 WeakPolarHBondContact O-CA 3.4Å; V24-K39 HydrophobicContact CG2-CB 4.22Å; V24-K39 HydrophobicContact CG2-CG 4.16Å; K39-M41 HydrophobicContact CD-SD 4.37Å; K39-M41 HydrophobicContact CG-SD 4.17Å; K39-E56 IonicContact NZ-OE1 3.58Å; K39-E56 PolarHBondContact NZ-OE1 3.3Å; K39-E56 IonicContact NZ-OE2 2.75Å; K39-Y82 CarbonylContact O-C 3.56Å; K39-Y82 VanDerWaalsContact O-CA 3.31Å; K39-Y82 WeakPolarHBondContact O-CA 3.14Å; K39-F83 HydrophobicContact CB-CB 4.28Å; K39-F83 HydrophobicContact CD-CD2 4.33Å; K39-F83 PolarHBondContact N-O 2.87Å; K39-F83 PolarHBondContact O-N 3.29Å; K39-F85 HydrophobicContact CB-CE2 4.11Å; K39-F85 HydrophobicContact CD-CE2 4.41Å; K39-D149 IonicContact NZ-OD1 3.26Å; K39-D149 PolarHBondContact NZ-OD1 3.27Å
40R92.2Very high91.9Very high88 Ų8871 Ų7133%0.33236%0.355SS..EExtended strand (participates in β ladder)trans-86.1120.2172.9-179.2179.788.3178.4-1109G22 E23 T80 Y82G22-R40 CarbonylContact C-O 3.57Å; G22-R40 WeakPolarHBondContact CA-O 3.4Å; E23-R40 HydrophobicContact CG-CB 3.82Å; E23-R40 PolarHBondContact N-O 3.04Å; E23-R40 PolarHBondContact O-N 3.31Å; E23-R40 IonicContact OE1-CZ 3.69Å; E23-R40 IonicContact OE1-NE 3.28Å; E23-R40 PolarHBondContact OE1-NE 2.88Å; E23-R40 IonicContact OE1-NH1 3.63Å; E23-R40 PolarHBondContact OE1-NH1 3.38Å; E23-R40 IonicContact OE1-NH2 2.94Å; E23-R40 PolarHBondContact OE1-NH2 3.2Å; E23-R40 IonicContact OE2-CZ 3.32Å; E23-R40 IonicContact OE2-NE 2.7Å; E23-R40 IonicContact OE2-NH2 2.66Å; E23-R40 PolarHBondContact OE2-NH2 2.97Å; R40-T80 HydrophobicContact CG-CG2 3.64Å; R40-Y82 HydrophobicContact CB-CD1 3.81Å; R40-Y82 HydrophobicContact CB-CE1 3.79Å; R40-Y82 HydrophobicContact CG-CD1 3.95Å; R40-Y82 HydrophobicContact CG-CE1 3.52Å
41M89.9Confident91.4Very high17 Ų1767.7 Ų67.78%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-75.2134.4178.5-58.1-55.5-70.800110.7F21 K39 F45 L81 F83F21-M41 HydrophobicContact CB-CE 4.2Å; K39-M41 HydrophobicContact CD-SD 4.37Å; K39-M41 HydrophobicContact CG-SD 4.17Å; M41-F45 HydrophobicContact CB-CE2 4.06Å; M41-F45 HydrophobicContact CG-CE2 4.47Å; M41-L81 HydrophobicContact CB-CB 4.17Å; M41-L81 WeakPolarHBondContact CB-O 3.36Å; M41-L81 HydrophobicContact CG-CB 4Å; M41-L81 HydrophobicContact CG-CD2 4.29Å; M41-L81 HydrophobicContact CG-CG 4.31Å; M41-L81 WeakPolarHBondContact CG-O 3.27Å; M41-L81 PolarHBondContact N-O 2.85Å; M41-F83 HydrophobicContact CE-CE2 4.18Å; M41-F83 HydrophobicContact CG-CD2 4.28Å; M41-F83 HydrophobicContact CG-CE2 3.89Å; M41-F83 HydrophobicContact CG-CZ 4.5Å; M41-F83 HydrophobicContact SD-CD2 3.79Å; M41-F83 HydrophobicContact SD-CE2 3.51Å; M41-F83 VanDerWaalsContact SD-CE2 3.51Å
42K87.6Confident91Very high101 Ų10165.6 Ų65.644%0.43931%0.305SS..EExtended strand (participates in β ladder)trans-71.7-33.2178.7-75.9172.3179.71750112.4D18 G19 F21D18-K42 VanDerWaalsContact OD1-CE 3.27Å; D18-K42 WeakPolarHBondContact OD1-CE 3.34Å; D18-K42 IonicContact OD1-NZ 2.81Å; D18-K42 PolarHBondContact OD1-NZ 2.83Å; D18-K42 IonicContact OD2-NZ 3.75Å; D18-K42 PolarHBondContact OD2-NZ 2.84Å; G19-K42 PolarHBondContact O-NZ 3.11Å; F21-K42 PolarHBondContact O-N 3.23Å
43R88.2Confident90.5Very high150 Ų15066.3 Ų66.357%0.56631%0.306SS*.EExtended strand (participates in β ladder)trans-74.7139.7175.4169.6173.8159.2176.7-3.8110.7F45 E50R43-F45 HydrophobicContact CB-CE2 4.18Å; R43-F45 HydrophobicContact CG-CE2 4.07Å; R43-F45 HydrophobicContact CG-CZ 4.17Å; R43-F45 VanDerWaalsContact O-CD2 3.24Å; R43-F45 WeakPolarHBondContact O-CD2 3.39Å; R43-F45 WeakPolarHBondContact O-CE2 3.41Å; R43-E50 IonicContact CZ-OE1 2.97Å; R43-E50 IonicContact NE-OE1 2.85Å; R43-E50 IonicContact NH2-OE1 3.73Å; R43-E50 PolarHBondContact NH2-OE1 3.09Å
44K89.7Confident89.8Confident101 Ų10162.8 Ų62.844%0.43929%0.287SS..EExtended strand (participates in β ladder)trans-76.8145.7171.7-65.8-64.7-173.1172.90111.7F46 N78 D79 T80K44-F46 HydrophobicContact CB-CE1 4.37Å; K44-F46 HydrophobicContact CB-CE2 4.42Å; K44-F46 HydrophobicContact CB-CZ 4.04Å; K44-N78 PolarHBondContact NZ-O 2.88Å; K44-D79 CarbonylContact C-O 3.48Å; K44-D79 VanDerWaalsContact CA-O 3.31Å; K44-D79 WeakPolarHBondContact CA-O 3.36Å; K44-D79 HydrophobicContact CD-CB 4.16Å; K44-D79 WeakPolarHBondContact CD-O 3.42Å; K44-T80 PolarHBondContact NZ-OG1 2.9Å
45F88.1Confident88.8Confident4 Ų465.5 Ų65.52%0.01829%0.294CS..  trans-128.9112.3179.8-72.2-86000109.1M41 R43 E50 A51 L54 R76 D79 L81M41-F45 HydrophobicContact CB-CE2 4.06Å; M41-F45 HydrophobicContact CG-CE2 4.47Å; R43-F45 HydrophobicContact CB-CE2 4.18Å; R43-F45 HydrophobicContact CG-CE2 4.07Å; R43-F45 HydrophobicContact CG-CZ 4.17Å; R43-F45 VanDerWaalsContact O-CD2 3.24Å; R43-F45 WeakPolarHBondContact O-CD2 3.39Å; R43-F45 WeakPolarHBondContact O-CE2 3.41Å; F45-E50 HydrophobicContact CD1-CB 4.45Å; F45-E50 HydrophobicContact CD1-CG 3.87Å; F45-E50 HydrophobicContact CE1-CG 4.33Å; F45-A51 HydrophobicContact CB-CB 4.45Å; F45-A51 HydrophobicContact CD1-CB 4.24Å; F45-A51 HydrophobicContact CG-CB 4.43Å; F45-L54 HydrophobicContact CE1-CD1 3.64Å; F45-L54 HydrophobicContact CE1-CD2 3.74Å; F45-L54 HydrophobicContact CE1-CG 3.88Å; F45-L54 HydrophobicContact CE2-CD1 4.41Å; F45-L54 HydrophobicContact CZ-CD1 3.58Å; F45-L54 HydrophobicContact CZ-CD2 3.98Å; F45-L54 HydrophobicContact CZ-CG 4.21Å; F45-R76 PolarHBondContact O-NE 3.29Å; F45-D79 PolarHBondContact N-O 3.32Å; F45-D79 VanDerWaalsContact O-CA 3.31Å; F45-D79 WeakPolarHBondContact O-CA 3.3Å; F45-D79 WeakPolarHBondContact O-CB 3.4Å; F45-L81 HydrophobicContact CD2-CB 3.52Å; F45-L81 HydrophobicContact CD2-CD2 4Å; F45-L81 HydrophobicContact CD2-CG 4.4Å; F45-L81 HydrophobicContact CE2-CB 4.02Å; F45-L81 HydrophobicContact CE2-CD2 3.98Å; F45-L81 HydrophobicContact CG-CB 4.17Å; F45-L81 HydrophobicContact CG-CD2 4.28Å; F45-L81 HydrophobicContact CZ-CD2 4.27Å
46F89.4Confident87.9Confident142 Ų14261.3 Ų61.362%0.62328%0.276SS*.  trans-91-20.5-170.4-58.2-74.3000112.6K44 E50 R76 D79K44-F46 HydrophobicContact CB-CE1 4.37Å; K44-F46 HydrophobicContact CB-CE2 4.42Å; K44-F46 HydrophobicContact CB-CZ 4.04Å; F46-E50 PolarHBondContact N-OE2 3.23Å; F46-E50 VanDerWaalsContact N-OE2 3.09Å; F46-R76 VanDerWaalsContact C-NH1 3.25Å; F46-R76 PolarHBondContact O-NH1 3.4Å; F46-R76 PolarHBondContact O-NH2 2.72Å; F46-D79 HydrophobicContact CD1-CB 4.31Å
47S89.5Confident87.2Confident49 Ų4961.3 Ų61.334%0.34328%0.276SS..  trans-123.8149.2172.7810000111.9E50 A51S47-E50 PolarHBondContact O-N 3.27Å; S47-E50 VanDerWaalsContact OG-CB 3.23Å; S47-E50 WeakPolarHBondContact OG-CB 3.36Å; S47-E50 PolarHBondContact OG-N 3.13Å; S47-A51 PolarHBondContact O-N 3.03Å
48W86.4Confident86.4Confident114 Ų11464.9 Ų64.943%0.43229%0.289SS..Hα-helixtrans-65.3-35.6173.6-178.2-106.7000110.5E50 A51 M52 V74 R76W48-E50 VanDerWaalsContact C-N 3.35Å; W48-E50 PolarHBondContact O-N 3Å; W48-A51 WeakPolarHBondContact O-CB 3.32Å; W48-A51 PolarHBondContact O-N 3.33Å; W48-M52 HydrophobicContact CD2-CE 4.42Å; W48-M52 HydrophobicContact CD2-CG 4.28Å; W48-M52 HydrophobicContact CG-CG 4.33Å; W48-M52 HydrophobicContact CH2-CE 3.77Å; W48-M52 HydrophobicContact CZ2-CE 3.53Å; W48-M52 HydrophobicContact CZ2-CG 4.25Å; W48-M52 HydrophobicContact CZ2-SD 3.89Å; W48-M52 HydrophobicContact CZ3-CE 4.29Å; W48-M52 WeakPolarHBondContact O-CG 3.32Å; W48-M52 PolarHBondContact O-N 3.05Å; W48-V74 HydrophobicContact CH2-CB 4.25Å; W48-V74 HydrophobicContact CH2-CG1 4.23Å; W48-V74 WeakPolarHBondContact CH2-O 3.35Å; W48-R76 HydrophobicContact CE3-CB 3.64Å; W48-R76 HydrophobicContact CZ3-CB 3.62Å
49D89.4Confident85.7Confident112 Ų11264.9 Ų64.960%0.59929%0.289SS*.Hα-helixtrans-63.6-38.3176.5-62.4-42.9000112.4A51 M52 N53D49-A51 VanDerWaalsContact C-N 3.35Å; D49-M52 PolarHBondContact O-N 2.93Å; D49-N53 WeakPolarHBondContact O-CB 3.31Å; D49-N53 PolarHBondContact O-N 3.17Å; D49-N53 PolarHBondContact O-ND2 2.93Å
50E87.4Confident85.1Confident53 Ų5364.1 Ų64.125%0.24829%0.286CS..Hα-helixtrans-60.1-46.7173.8-174.6-169179.900110.7R43 F45 F46 S47 W48 N53 L54R43-E50 IonicContact CZ-OE1 2.97Å; R43-E50 IonicContact NE-OE1 2.85Å; R43-E50 IonicContact NH2-OE1 3.73Å; R43-E50 PolarHBondContact NH2-OE1 3.09Å; F45-E50 HydrophobicContact CD1-CB 4.45Å; F45-E50 HydrophobicContact CD1-CG 3.87Å; F45-E50 HydrophobicContact CE1-CG 4.33Å; F46-E50 PolarHBondContact N-OE2 3.23Å; F46-E50 VanDerWaalsContact N-OE2 3.09Å; S47-E50 PolarHBondContact O-N 3.27Å; S47-E50 VanDerWaalsContact OG-CB 3.23Å; S47-E50 WeakPolarHBondContact OG-CB 3.36Å; S47-E50 PolarHBondContact OG-N 3.13Å; W48-E50 VanDerWaalsContact C-N 3.35Å; W48-E50 PolarHBondContact O-N 3Å; E50-N53 PolarHBondContact O-N 3.01Å; E50-L54 PolarHBondContact O-N 2.96Å
51A84.3Confident84.6Confident0 Ų068.5 Ų68.50%030%0.303CS..Hα-helixtrans-64.5-44.9178.200000112.5F45 S47 W48 D49 N53 L54 L81F45-A51 HydrophobicContact CB-CB 4.45Å; F45-A51 HydrophobicContact CD1-CB 4.24Å; F45-A51 HydrophobicContact CG-CB 4.43Å; S47-A51 PolarHBondContact O-N 3.03Å; W48-A51 WeakPolarHBondContact O-CB 3.32Å; W48-A51 PolarHBondContact O-N 3.33Å; D49-A51 VanDerWaalsContact C-N 3.35Å; A51-N53 PolarHBondContact O-N 3.41Å; A51-L54 VanDerWaalsContact O-CB 3.31Å; A51-L54 WeakPolarHBondContact O-CB 3.16Å; A51-L54 VanDerWaalsContact O-CG 3.32Å; A51-L54 WeakPolarHBondContact O-CG 3.24Å; A51-L54 PolarHBondContact O-N 3.1Å; A51-L81 HydrophobicContact CB-CD1 3.57Å; A51-L81 HydrophobicContact CB-CD2 3.75Å; A51-L81 HydrophobicContact CB-CG 4.28Å
52M85.1Confident84.3Confident29 Ų2973.4 Ų73.414%0.14332%0.324CS..Hα-helixtrans-68.8-23.3177.5-70.4-60.5103.300112.8W48 D49 L54 V57 V74W48-M52 HydrophobicContact CD2-CE 4.42Å; W48-M52 HydrophobicContact CD2-CG 4.28Å; W48-M52 HydrophobicContact CG-CG 4.33Å; W48-M52 HydrophobicContact CH2-CE 3.77Å; W48-M52 HydrophobicContact CZ2-CE 3.53Å; W48-M52 HydrophobicContact CZ2-CG 4.25Å; W48-M52 HydrophobicContact CZ2-SD 3.89Å; W48-M52 HydrophobicContact CZ3-CE 4.29Å; W48-M52 WeakPolarHBondContact O-CG 3.32Å; W48-M52 PolarHBondContact O-N 3.05Å; D49-M52 PolarHBondContact O-N 2.93Å; M52-L54 VanDerWaalsContact C-N 3.29Å; M52-V57 HydrophobicContact CE-CG1 4.01Å; M52-V57 HydrophobicContact SD-CG1 4.03Å; M52-V74 HydrophobicContact CE-CB 3.83Å; M52-V74 HydrophobicContact CE-CG1 3.54Å; M52-V74 HydrophobicContact CE-CG2 4.16Å
53N84.6Confident84.3Confident94 Ų9469 Ų6950%0.50331%0.305SS..THydrogen-bonded Turntrans-80.2-8.8176.8-85.2-54.6000114.4D49 E50 A51 R55 K58D49-N53 WeakPolarHBondContact O-CB 3.31Å; D49-N53 PolarHBondContact O-N 3.17Å; D49-N53 PolarHBondContact O-ND2 2.93Å; E50-N53 PolarHBondContact O-N 3.01Å; A51-N53 PolarHBondContact O-N 3.41Å; N53-R55 PolarHBondContact O-N 3.41Å; N53-K58 WeakPolarHBondContact O-CE 3.37Å; N53-K58 WeakPolarHBondContact OD1-CE 3.29Å; N53-K58 PolarHBondContact OD1-NZ 3.21Å
54L80.8Confident84.5Confident38 Ų3867.3 Ų67.320%0.19931%0.307CS..  trans-57134.8174.2-70.3176000111.4F45 E50 A51 M52 E56 V57 K58 L81 F83F45-L54 HydrophobicContact CE1-CD1 3.64Å; F45-L54 HydrophobicContact CE1-CD2 3.74Å; F45-L54 HydrophobicContact CE1-CG 3.88Å; F45-L54 HydrophobicContact CE2-CD1 4.41Å; F45-L54 HydrophobicContact CZ-CD1 3.58Å; F45-L54 HydrophobicContact CZ-CD2 3.98Å; F45-L54 HydrophobicContact CZ-CG 4.21Å; E50-L54 PolarHBondContact O-N 2.96Å; A51-L54 VanDerWaalsContact O-CB 3.31Å; A51-L54 WeakPolarHBondContact O-CB 3.16Å; A51-L54 VanDerWaalsContact O-CG 3.32Å; A51-L54 WeakPolarHBondContact O-CG 3.24Å; A51-L54 PolarHBondContact O-N 3.1Å; M52-L54 VanDerWaalsContact C-N 3.29Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.2Å; L54-V57 HydrophobicContact CB-CB 4.29Å; L54-V57 HydrophobicContact CB-CG2 3.99Å; L54-V57 HydrophobicContact CD1-CG2 4.39Å; L54-V57 PolarHBondContact O-N 3.23Å; L54-V57 VanDerWaalsContact O-N 3.1Å; L54-K58 PolarHBondContact O-N 3.14Å; L54-L81 HydrophobicContact CD1-CD2 3.47Å; L54-L81 VanDerWaalsContact CD1-CD2 3.47Å; L54-F83 HydrophobicContact CD1-CZ 4.09Å
55R75.9Confident84.8Confident141 Ų14164.7 Ų64.753%0.53230%0.296SS..Hα-helixtrans-55.3-44.9176.9-79.8-177.5-86.8135.3-5.4112.1N53 V57 K58 S59N53-R55 PolarHBondContact O-N 3.41Å; R55-V57 VanDerWaalsContact C-N 3.29Å; R55-V57 PolarHBondContact O-N 2.84Å; R55-K58 PolarHBondContact O-N 3.19Å; R55-K58 VanDerWaalsContact O-N 3.17Å; R55-S59 PolarHBondContact O-N 3.24Å; R55-S59 PolarHBondContact O-OG 3.05Å; R55-S59 VanDerWaalsContact O-OG 3.07Å
56E77.4Confident85.2Confident19 Ų1968.3 Ų68.39%0.08932%0.318CS..Hα-helixtrans-57.4-40.8177.8-172.7174.8-171.100111.7K39 L54 S59 L60K39-E56 IonicContact NZ-OE1 3.58Å; K39-E56 PolarHBondContact NZ-OE1 3.3Å; K39-E56 IonicContact NZ-OE2 2.75Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.2Å; E56-S59 PolarHBondContact O-OG 3.04Å; E56-L60 HydrophobicContact CG-CD1 3.79Å; E56-L60 VanDerWaalsContact O-CB 3.25Å; E56-L60 WeakPolarHBondContact O-CB 3.4Å; E56-L60 WeakPolarHBondContact O-CD1 3.28Å; E56-L60 VanDerWaalsContact O-CG 3.23Å; E56-L60 WeakPolarHBondContact O-CG 3.36Å; E56-L60 PolarHBondContact O-N 2.87Å
57V81.6Confident85.6Confident0 Ų061.9 Ų61.90%029%0.29CS..Hα-helixtrans-69.2-45.1176.2178.70000111.2M52 L54 R55 S59 L60 R61 V74 F83M52-V57 HydrophobicContact CE-CG1 4.01Å; M52-V57 HydrophobicContact SD-CG1 4.03Å; L54-V57 HydrophobicContact CB-CB 4.29Å; L54-V57 HydrophobicContact CB-CG2 3.99Å; L54-V57 HydrophobicContact CD1-CG2 4.39Å; L54-V57 PolarHBondContact O-N 3.23Å; L54-V57 VanDerWaalsContact O-N 3.1Å; R55-V57 VanDerWaalsContact C-N 3.29Å; R55-V57 PolarHBondContact O-N 2.84Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 3.03Å; V57-L60 PolarHBondContact O-N 3Å; V57-R61 HydrophobicContact CG1-CG 4.15Å; V57-R61 WeakPolarHBondContact O-CB 3.24Å; V57-R61 VanDerWaalsContact O-CG 3.28Å; V57-R61 WeakPolarHBondContact O-CG 3.48Å; V57-R61 PolarHBondContact O-N 3.18Å; V57-V74 HydrophobicContact CG1-CG2 4.43Å; V57-F83 HydrophobicContact CG2-CD1 4.39Å; V57-F83 HydrophobicContact CG2-CE1 3.27Å; V57-F83 HydrophobicContact CG2-CZ 3.51Å
58K80.6Confident85.9Confident87 Ų8759.6 Ų59.638%0.37828%0.275SS..Hα-helixtrans-60.5-41.8178.4-71.1-176.9-178.8174.50112.1N53 L54 R55 K62N53-K58 WeakPolarHBondContact O-CE 3.37Å; N53-K58 WeakPolarHBondContact OD1-CE 3.29Å; N53-K58 PolarHBondContact OD1-NZ 3.21Å; L54-K58 PolarHBondContact O-N 3.14Å; R55-K58 PolarHBondContact O-N 3.19Å; R55-K58 VanDerWaalsContact O-N 3.17Å; K58-K62 WeakPolarHBondContact O-CG 3.39Å
59S78.5Confident86.3Confident2 Ų254.4 Ų54.41%0.01426%0.255CS..Hα-helixtrans-69.4-52.9176.553.60000111R55 E56 V57 R61 K62 L63R55-S59 PolarHBondContact O-N 3.24Å; R55-S59 PolarHBondContact O-OG 3.05Å; R55-S59 VanDerWaalsContact O-OG 3.07Å; E56-S59 PolarHBondContact O-OG 3.04Å; V57-S59 VanDerWaalsContact C-N 3.34Å; V57-S59 PolarHBondContact O-N 3.03Å; S59-R61 VanDerWaalsContact C-N 3.3Å; S59-R61 PolarHBondContact O-N 2.91Å; S59-K62 PolarHBondContact O-N 3.3Å; S59-L63 VanDerWaalsContact O-CG 3.23Å; S59-L63 WeakPolarHBondContact O-CG 3.41Å; S59-L63 PolarHBondContact O-N 3.18Å
60L79.7Confident86.5Confident6 Ų654.2 Ų54.23%0.03125%0.249CC..Hα-helixtrans-63.2-33.6-175-74.9169.3000113.2E56 V57 K62 L63 L71 F85 F150E56-L60 HydrophobicContact CG-CD1 3.79Å; E56-L60 VanDerWaalsContact O-CB 3.25Å; E56-L60 WeakPolarHBondContact O-CB 3.4Å; E56-L60 WeakPolarHBondContact O-CD1 3.28Å; E56-L60 VanDerWaalsContact O-CG 3.23Å; E56-L60 WeakPolarHBondContact O-CG 3.36Å; E56-L60 PolarHBondContact O-N 2.87Å; V57-L60 PolarHBondContact O-N 3Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 PolarHBondContact O-N 3.2Å; L60-L63 PolarHBondContact O-N 2.96Å; L60-L71 HydrophobicContact CB-CB 3.97Å; L60-L71 HydrophobicContact CB-CD2 3.63Å; L60-L71 HydrophobicContact CB-CG 4.45Å; L60-L71 HydrophobicContact CD1-CB 4.37Å; L60-L71 HydrophobicContact CD1-CD2 4.09Å; L60-F85 HydrophobicContact CD1-CE1 3.67Å; L60-F85 HydrophobicContact CD1-CZ 3.71Å; L60-F85 HydrophobicContact CD2-CE1 4.22Å; L60-F150 HydrophobicContact CD2-CB 4.46Å; L60-F150 HydrophobicContact CD2-CD2 3.52Å; L60-F150 HydrophobicContact CD2-CE2 3.99Å; L60-F150 HydrophobicContact CD2-CG 4.09Å; L60-F150 HydrophobicContact CG-CB 4.42Å; L60-F150 HydrophobicContact CG-CD2 4.36Å
61R83.5Confident86.7Confident179 Ų17952.9 Ų52.968%0.67524%0.244SC*.Hα-helixtrans-67.6-24.8175.4-73.9-177.569172.50.6113.6V57 S59V57-R61 HydrophobicContact CG1-CG 4.15Å; V57-R61 WeakPolarHBondContact O-CB 3.24Å; V57-R61 VanDerWaalsContact O-CG 3.28Å; V57-R61 WeakPolarHBondContact O-CG 3.48Å; V57-R61 PolarHBondContact O-N 3.18Å; S59-R61 VanDerWaalsContact C-N 3.3Å; S59-R61 PolarHBondContact O-N 2.91Å
62K83.1Confident87.1Confident121 Ų12156.2 Ų56.253%0.52626%0.258SS..Hα-helixtrans-90.3-12.8177.9-68.9178.2-179.8-178.20112.9K58 S59 L60 F127K58-K62 WeakPolarHBondContact O-CG 3.39Å; S59-K62 PolarHBondContact O-N 3.3Å; L60-K62 VanDerWaalsContact C-N 3.26Å; L60-K62 PolarHBondContact O-N 3.2Å; K62-F127 HydrophobicContact CB-CE2 4.5Å; K62-F127 HydrophobicContact CD-CE2 4.04Å; K62-F127 HydrophobicContact CD-CZ 4.16Å
63L87.7Confident87.4Confident9 Ų957.5 Ų57.55%0.04726%0.264CS..  trans-106.5110.7-172.3-64.4171.7000110.9S59 L60 V68 Y121 I122 H125 F150S59-L63 VanDerWaalsContact O-CG 3.23Å; S59-L63 WeakPolarHBondContact O-CG 3.41Å; S59-L63 PolarHBondContact O-N 3.18Å; L60-L63 PolarHBondContact O-N 2.96Å; L63-V68 HydrophobicContact CB-CG1 4.26Å; L63-Y121 HydrophobicContact CB-CE1 4.28Å; L63-Y121 HydrophobicContact CD2-CD1 4.03Å; L63-Y121 HydrophobicContact CD2-CE1 3.74Å; L63-I122 HydrophobicContact CD1-CG1 4.33Å; L63-I122 HydrophobicContact CD2-CG1 4.29Å; L63-H125 HydrophobicContact CD2-CB 3.9Å; L63-F150 HydrophobicContact CD1-CD1 3.97Å; L63-F150 HydrophobicContact CD1-CE1 3.59Å; L63-F150 HydrophobicContact CD1-CZ 4.12Å
64N91.7Very high87.8Confident113 Ų11354 Ų5460%0.60425%0.246SC*.  trans-13397.8174.5-17828.3000110.2Y121N64-Y121 PolarHBondContact N-OH 2.83Å; N64-Y121 VanDerWaalsContact N-OH 3.09Å; N64-Y121 PolarHBondContact O-OH 3.01Å; N64-Y121 VanDerWaalsContact O-OH 3.12Å
65H95.8Very high88.4Confident47 Ų4752.6 Ų52.622%0.21824%0.238CC..  trans-147.5149.5-175.8-177-100.4000111.3N67 V68 Y121H65-N67 PolarHBondContact CE1-OD1 3.12Å; H65-N67 PolarHBondContact ND1-N 3.16Å; H65-N67 PolarHBondContact O-N 3.29Å; H65-V68 HydrophobicContact CB-CB 4.17Å; H65-V68 HydrophobicContact CB-CG2 3.99Å; H65-V68 PolarHBondContact O-N 3.5Å; H65-Y121 HydrophobicContact CB-CD1 3.5Å; H65-Y121 HydrophobicContact CB-CD2 4.01Å; H65-Y121 HydrophobicContact CB-CE1 3.7Å; H65-Y121 HydrophobicContact CB-CE2 4.19Å; H65-Y121 HydrophobicContact CB-CG 3.66Å; H65-Y121 AromaticContact CD2-CD2 3.66Å; H65-Y121 AromaticContact CD2-CG 3.75Å; H65-Y121 AromaticContact CG-CG 3.71Å
66V96.7Very high89.1Confident79 Ų7949.8 Ų49.848%0.47923%0.228SC..THydrogen-bonded Turntrans-60.3-29.3-177.565.70000113Q144 K146V66-Q144 PolarHBondContact O-NE2 3.29Å; V66-K146 WeakPolarHBondContact O-CE 3.31Å; V66-K146 WeakPolarHBondContact O-CG 3.42Å
67N97.7Very high89.8Confident7 Ų751.7 Ų51.74%0.03724%0.237CC..THydrogen-bonded Turntrans-103.122177.2-54.6117.9000113.9H65 Q114 V145 K146 I147H65-N67 PolarHBondContact CE1-OD1 3.12Å; H65-N67 PolarHBondContact ND1-N 3.16Å; H65-N67 PolarHBondContact O-N 3.29Å; N67-Q114 WeakPolarHBondContact CB-O 3.28Å; N67-Q114 VanDerWaalsContact CG-O 3.29Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.45Å; N67-Q114 PolarHBondContact ND2-OE1 3.39Å; N67-Q114 PolarHBondContact OD1-O 3.22Å; N67-V145 WeakPolarHBondContact CA-O 3.15Å; N67-V145 PolarHBondContact ND2-O 3.16Å; N67-K146 WeakPolarHBondContact O-CA 3.34Å; N67-I147 PolarHBondContact O-N 2.9Å
68V96.2Very high90.3Very high2 Ų258 Ų581%0.01227%0.271CS..BIsolated β-bridgetrans-127.5135.8172.1177.20000108.4L63 H65 K70 Y121 I122 F150L63-V68 HydrophobicContact CB-CG1 4.26Å; H65-V68 HydrophobicContact CB-CB 4.17Å; H65-V68 HydrophobicContact CB-CG2 3.99Å; H65-V68 PolarHBondContact O-N 3.5Å; V68-K70 PolarHBondContact O-N 2.91Å; V68-Y121 HydrophobicContact CG2-CD1 4.48Å; V68-I122 HydrophobicContact CG2-CD1 3.93Å; V68-I122 HydrophobicContact CG2-CG1 3.93Å; V68-F150 HydrophobicContact CG1-CE2 3.83Å; V68-F150 HydrophobicContact CG1-CZ 3.57Å
69V95Very high90.8Very high5 Ų556.5 Ų56.53%0.0327%0.267CS..  trans-62.7131-18072.70000110.5L71 F85 E86 L138 I147 A148 F150V69-L71 PolarHBondContact O-N 3.1Å; V69-F85 HydrophobicContact CG1-CD1 4.1Å; V69-F85 HydrophobicContact CG1-CE1 4.23Å; V69-F85 HydrophobicContact CG2-CB 4.28Å; V69-F85 HydrophobicContact CG2-CD1 4.1Å; V69-E86 HydrophobicContact CG2-CG 3.99Å; V69-L138 HydrophobicContact CG2-CD1 4.15Å; V69-I147 WeakPolarHBondContact CG1-O 3.31Å; V69-I147 PolarHBondContact N-O 3.45Å; V69-A148 HydrophobicContact CB-CB 4.11Å; V69-A148 HydrophobicContact CG1-CB 3.75Å; V69-F150 HydrophobicContact CG1-CE2 4.39Å
70K92.9Very high91.4Very high108 Ų10857.1 Ų57.147%0.4727%0.27SS..  trans-84.2116.5-177.7-171.8171.9-176.6174.50110.7V68 K72 F85 E86V68-K70 PolarHBondContact O-N 2.91Å; K70-K72 HydrophobicContact CG-CG 4.49Å; K70-K72 PolarHBondContact O-N 3.22Å; K70-F85 WeakPolarHBondContact O-CA 3.24Å; K70-E86 HydrophobicContact CB-CG 4.23Å; K70-E86 WeakPolarHBondContact CB-OE1 3.43Å; K70-E86 PolarHBondContact N-OE1 2.87Å; K70-E86 PolarHBondContact O-N 3.31Å; K70-E86 VanDerWaalsContact O-N 3.07Å
71L92.5Very high92Very high25 Ų2556.8 Ų56.813%0.13127%0.269CS..EExtended strand (participates in β ladder)trans-72.9114.8161.4-18065.1000108.3L60 V69 E73 V74 F83 F85L60-L71 HydrophobicContact CB-CB 3.97Å; L60-L71 HydrophobicContact CB-CD2 3.63Å; L60-L71 HydrophobicContact CB-CG 4.45Å; L60-L71 HydrophobicContact CD1-CB 4.37Å; L60-L71 HydrophobicContact CD1-CD2 4.09Å; V69-L71 PolarHBondContact O-N 3.1Å; L71-E73 WeakPolarHBondContact CD1-O 3.11Å; L71-V74 HydrophobicContact CD1-CG2 4.37Å; L71-V74 HydrophobicContact CD2-CG2 3.84Å; L71-V74 HydrophobicContact CG-CG2 4.38Å; L71-F83 HydrophobicContact CD1-CB 3.81Å; L71-F83 HydrophobicContact CD1-CD1 4.17Å; L71-F83 HydrophobicContact CD1-CG 4.33Å; L71-F85 HydrophobicContact CB-CD1 4.17Å; L71-F85 HydrophobicContact CB-CE1 3.93Å; L71-F85 HydrophobicContact CD1-CD1 4.18Å; L71-F85 HydrophobicContact CD1-CE1 3.84Å; L71-F85 HydrophobicContact CD1-CE2 4.4Å; L71-F85 HydrophobicContact CD1-CZ 3.95Å; L71-F85 HydrophobicContact CG-CE1 4.47Å
72K92.5Very high92.5Very high70 Ų7049.2 Ų49.230%0.30424%0.24SC..EExtended strand (participates in β ladder)trans-88.6-42.5-178.1-62.3-179.964.1-177.40111.8E34 V36 K70 V84 E86E34-K72 IonicContact OE1-NZ 3.59Å; E34-K72 PolarHBondContact OE1-NZ 2.87Å; E34-K72 IonicContact OE2-NZ 3.34Å; E34-K72 PolarHBondContact OE2-NZ 2.82Å; V36-K72 HydrophobicContact CG1-CD 4.3Å; K70-K72 HydrophobicContact CG-CG 4.49Å; K70-K72 PolarHBondContact O-N 3.22Å; K72-V84 WeakPolarHBondContact CA-O 3.41Å; K72-V84 WeakPolarHBondContact CB-O 3.45Å; K72-V84 PolarHBondContact N-O 3.2Å; K72-E86 HydrophobicContact CD-CB 4.45Å
73E92.2Very high92.9Very high55 Ų5543.5 Ų43.526%0.25722%0.215SC..EExtended strand (participates in β ladder)trans-153149.5-175.2-162.3176.8166.200110.4R9 Y10 L71 I75 V84R9-E73 IonicContact CZ-OE1 3.53Å; R9-E73 IonicContact NE-OE1 3.47Å; R9-E73 PolarHBondContact NE-OE1 3.18Å; R9-E73 IonicContact NE-OE2 2.77Å; R9-E73 IonicContact NH2-OE1 2.65Å; R9-E73 PolarHBondContact NH2-OE1 3.2Å; Y10-E73 PolarHBondContact OH-OE2 2.73Å; L71-E73 WeakPolarHBondContact CD1-O 3.11Å; E73-I75 HydrophobicContact CG-CG1 3.99Å; E73-V84 HydrophobicContact CB-CB 4.01Å; E73-V84 HydrophobicContact CB-CG2 4.16Å; E73-V84 PolarHBondContact N-O 3.22Å; E73-V84 PolarHBondContact O-N 3.32Å
74V92Very high93.2Very high22 Ų2243 Ų4313%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-113.7133.2165.8-173.50000107.2W48 M52 V57 L71 L81 Y82 F83W48-V74 HydrophobicContact CH2-CB 4.25Å; W48-V74 HydrophobicContact CH2-CG1 4.23Å; W48-V74 WeakPolarHBondContact CH2-O 3.35Å; M52-V74 HydrophobicContact CE-CB 3.83Å; M52-V74 HydrophobicContact CE-CG1 3.54Å; M52-V74 HydrophobicContact CE-CG2 4.16Å; V57-V74 HydrophobicContact CG1-CG2 4.43Å; L71-V74 HydrophobicContact CD1-CG2 4.37Å; L71-V74 HydrophobicContact CD2-CG2 3.84Å; L71-V74 HydrophobicContact CG-CG2 4.38Å; V74-L81 HydrophobicContact CG1-CD1 3.54Å; V74-L81 HydrophobicContact CG1-CG 4.31Å; V74-Y82 WeakPolarHBondContact CA-O 3.46Å; V74-F83 HydrophobicContact CB-CD1 4.38Å; V74-F83 HydrophobicContact CG1-CD1 3.88Å; V74-F83 HydrophobicContact CG1-CE1 3.76Å; V74-F83 HydrophobicContact CG2-CD1 3.92Å; V74-F83 HydrophobicContact CG2-CE1 4.14Å
75I93.4Very high93.4Very high7 Ų738.7 Ų38.74%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-128.4135.1-177.5-58.9173.4000108.1V6 A7 Y10 E73 L81 Y82 V84V6-I75 HydrophobicContact CG1-CD1 4.34Å; V6-I75 HydrophobicContact CG1-CG2 4.28Å; A7-I75 HydrophobicContact CB-CD1 4.37Å; A7-I75 HydrophobicContact CB-CG2 3.62Å; Y10-I75 HydrophobicContact CD2-CD1 3.73Å; Y10-I75 HydrophobicContact CE2-CD1 3.61Å; E73-I75 HydrophobicContact CG-CG1 3.99Å; I75-L81 CarbonylContact O-C 3.44Å; I75-Y82 HydrophobicContact CG2-CD2 4.47Å; I75-Y82 PolarHBondContact N-O 3.22Å; I75-Y82 PolarHBondContact O-N 3.3Å; I75-V84 HydrophobicContact CD1-CG2 3.74Å; I75-V84 HydrophobicContact CG1-CG2 4.32Å
76R91.5Very high93.4Very high82 Ų8238.4 Ų38.431%0.30919%0.187SC..EExtended strand (participates in β ladder)trans-118.5125.2168.9-172.8-166133.51808108.5F45 F46 W48 D79 T80 L81F45-R76 PolarHBondContact O-NE 3.29Å; F46-R76 VanDerWaalsContact C-NH1 3.25Å; F46-R76 PolarHBondContact O-NH1 3.4Å; F46-R76 PolarHBondContact O-NH2 2.72Å; W48-R76 HydrophobicContact CE3-CB 3.64Å; W48-R76 HydrophobicContact CZ3-CB 3.62Å; R76-D79 IonicContact CZ-OD1 2.67Å; R76-D79 IonicContact NE-OD1 3.38Å; R76-D79 IonicContact NH2-OD1 2.92Å; R76-D79 PolarHBondContact NH2-OD1 2.8Å; R76-T80 WeakPolarHBondContact CA-O 3.33Å; R76-L81 HydrophobicContact CB-CD1 4.31Å
77E91.7Very high93.3Very high60 Ų6037.5 Ų37.528%0.2818%0.176SC..EExtended strand (participates in β ladder)trans-143.7127.3179-178.4171.8-138.600108.4A7 D79 T80 Y82A7-E77 PolarHBondContact N-OE2 3.11Å; E77-D79 VanDerWaalsContact C-N 3.31Å; E77-D79 PolarHBondContact O-N 3.36Å; E77-T80 PolarHBondContact N-O 3.43Å; E77-T80 WeakPolarHBondContact O-CA 3.41Å; E77-T80 VanDerWaalsContact O-CB 3.28Å; E77-T80 WeakPolarHBondContact O-CB 3.08Å; E77-T80 PolarHBondContact O-N 3.19Å; E77-Y82 HydrophobicContact CB-CE2 4.26Å
78N90.8Very high93.2Very high133 Ų13337.8 Ų37.871%0.71118%0.177SC*.THydrogen-bonded Turntrans48.951.2-179.8-56.1-36.2000112.9K44 T80K44-N78 PolarHBondContact NZ-O 2.88Å; N78-T80 PolarHBondContact O-N 3.35Å; N78-T80 PolarHBondContact O-OG1 2.9Å; N78-T80 VanDerWaalsContact O-OG1 3.14Å
79D91.8Very high93.1Very high55 Ų5543.1 Ų43.129%0.29420%0.2SC..THydrogen-bonded Turntrans54.715.8-176-55.7-29.2000115.3K44 F45 F46 R76 E77K44-D79 CarbonylContact C-O 3.48Å; K44-D79 VanDerWaalsContact CA-O 3.31Å; K44-D79 WeakPolarHBondContact CA-O 3.36Å; K44-D79 HydrophobicContact CD-CB 4.16Å; K44-D79 WeakPolarHBondContact CD-O 3.42Å; F45-D79 PolarHBondContact N-O 3.32Å; F45-D79 VanDerWaalsContact O-CA 3.31Å; F45-D79 WeakPolarHBondContact O-CA 3.3Å; F45-D79 WeakPolarHBondContact O-CB 3.4Å; F46-D79 HydrophobicContact CD1-CB 4.31Å; R76-D79 IonicContact CZ-OD1 2.67Å; R76-D79 IonicContact NE-OD1 3.38Å; R76-D79 IonicContact NH2-OD1 2.92Å; R76-D79 PolarHBondContact NH2-OD1 2.8Å; E77-D79 VanDerWaalsContact C-N 3.31Å; E77-D79 PolarHBondContact O-N 3.36Å
80T91.6Very high93Very high14 Ų1443.6 Ų43.69%0.08620%0.202CC..EExtended strand (participates in β ladder)trans-104129.8176.9-48.70000108.4R40 K44 R76 E77 N78 Y82R40-T80 HydrophobicContact CG-CG2 3.64Å; K44-T80 PolarHBondContact NZ-OG1 2.9Å; R76-T80 WeakPolarHBondContact CA-O 3.33Å; E77-T80 PolarHBondContact N-O 3.43Å; E77-T80 WeakPolarHBondContact O-CA 3.41Å; E77-T80 VanDerWaalsContact O-CB 3.28Å; E77-T80 WeakPolarHBondContact O-CB 3.08Å; E77-T80 PolarHBondContact O-N 3.19Å; N78-T80 PolarHBondContact O-N 3.35Å; N78-T80 PolarHBondContact O-OG1 2.9Å; N78-T80 VanDerWaalsContact O-OG1 3.14Å; T80-Y82 HydrophobicContact CG2-CD2 4.38Å; T80-Y82 HydrophobicContact CG2-CE1 4.22Å; T80-Y82 HydrophobicContact CG2-CE2 3.64Å; T80-Y82 WeakPolarHBondContact O-CD2 3.47Å; T80-Y82 WeakPolarHBondContact O-CE2 3.33Å
81L92Very high93.1Very high0 Ų039.6 Ų39.60%019%0.186CC..EExtended strand (participates in β ladder)trans-97135.7178.6-170.166000109.9M41 F45 A51 L54 V74 I75 R76 F83M41-L81 HydrophobicContact CB-CB 4.17Å; M41-L81 WeakPolarHBondContact CB-O 3.36Å; M41-L81 HydrophobicContact CG-CB 4Å; M41-L81 HydrophobicContact CG-CD2 4.29Å; M41-L81 HydrophobicContact CG-CG 4.31Å; M41-L81 WeakPolarHBondContact CG-O 3.27Å; M41-L81 PolarHBondContact N-O 2.85Å; F45-L81 HydrophobicContact CD2-CB 3.52Å; F45-L81 HydrophobicContact CD2-CD2 4Å; F45-L81 HydrophobicContact CD2-CG 4.4Å; F45-L81 HydrophobicContact CE2-CB 4.02Å; F45-L81 HydrophobicContact CE2-CD2 3.98Å; F45-L81 HydrophobicContact CG-CB 4.17Å; F45-L81 HydrophobicContact CG-CD2 4.28Å; F45-L81 HydrophobicContact CZ-CD2 4.27Å; A51-L81 HydrophobicContact CB-CD1 3.57Å; A51-L81 HydrophobicContact CB-CD2 3.75Å; A51-L81 HydrophobicContact CB-CG 4.28Å; L54-L81 HydrophobicContact CD1-CD2 3.47Å; L54-L81 VanDerWaalsContact CD1-CD2 3.47Å; V74-L81 HydrophobicContact CG1-CD1 3.54Å; V74-L81 HydrophobicContact CG1-CG 4.31Å; I75-L81 CarbonylContact O-C 3.44Å; R76-L81 HydrophobicContact CB-CD1 4.31Å; L81-F83 HydrophobicContact CD2-CE1 3.85Å; L81-F83 HydrophobicContact CD2-CE2 4.46Å; L81-F83 HydrophobicContact CD2-CZ 3.61Å; L81-F83 HydrophobicContact CG-CE1 4.15Å; L81-F83 HydrophobicContact CG-CZ 4.25Å
82Y93.1Very high93.3Very high20 Ų2038.5 Ų38.58%0.07818%0.18CC..EExtended strand (participates in β ladder)trans-127132.7178.1-55.3-98.3000109.7V6 V38 K39 R40 V74 I75 E77 T80V6-Y82 HydrophobicContact CG1-CD1 3.99Å; V6-Y82 HydrophobicContact CG1-CD2 3.97Å; V6-Y82 HydrophobicContact CG1-CE1 4.18Å; V6-Y82 HydrophobicContact CG1-CE2 4.19Å; V6-Y82 HydrophobicContact CG1-CG 3.88Å; V6-Y82 HydrophobicContact CG2-CD1 4.22Å; V6-Y82 HydrophobicContact CG2-CE1 3.92Å; V38-Y82 HydrophobicContact CG1-CD1 3.83Å; V38-Y82 HydrophobicContact CG1-CG 4.41Å; K39-Y82 CarbonylContact O-C 3.56Å; K39-Y82 VanDerWaalsContact O-CA 3.31Å; K39-Y82 WeakPolarHBondContact O-CA 3.14Å; R40-Y82 HydrophobicContact CB-CD1 3.81Å; R40-Y82 HydrophobicContact CB-CE1 3.79Å; R40-Y82 HydrophobicContact CG-CD1 3.95Å; R40-Y82 HydrophobicContact CG-CE1 3.52Å; V74-Y82 WeakPolarHBondContact CA-O 3.46Å; I75-Y82 HydrophobicContact CG2-CD2 4.47Å; I75-Y82 PolarHBondContact N-O 3.22Å; I75-Y82 PolarHBondContact O-N 3.3Å; E77-Y82 HydrophobicContact CB-CE2 4.26Å; T80-Y82 HydrophobicContact CG2-CD2 4.38Å; T80-Y82 HydrophobicContact CG2-CE1 4.22Å; T80-Y82 HydrophobicContact CG2-CE2 3.64Å; T80-Y82 WeakPolarHBondContact O-CD2 3.47Å; T80-Y82 WeakPolarHBondContact O-CE2 3.33Å
83F92.3Very high93.4Very high0 Ų039.6 Ų39.60%018%0.183CC..EExtended strand (participates in β ladder)trans-104.3121.7168.7-59.6-50.2000109.5V38 K39 M41 L54 V57 L71 V74 L81 F85V38-F83 CarbonylContact C-O 3.59Å; V38-F83 WeakPolarHBondContact CA-O 3.19Å; K39-F83 HydrophobicContact CB-CB 4.28Å; K39-F83 HydrophobicContact CD-CD2 4.33Å; K39-F83 PolarHBondContact N-O 2.87Å; K39-F83 PolarHBondContact O-N 3.29Å; M41-F83 HydrophobicContact CE-CE2 4.18Å; M41-F83 HydrophobicContact CG-CD2 4.28Å; M41-F83 HydrophobicContact CG-CE2 3.89Å; M41-F83 HydrophobicContact CG-CZ 4.5Å; M41-F83 HydrophobicContact SD-CD2 3.79Å; M41-F83 HydrophobicContact SD-CE2 3.51Å; M41-F83 VanDerWaalsContact SD-CE2 3.51Å; L54-F83 HydrophobicContact CD1-CZ 4.09Å; V57-F83 HydrophobicContact CG2-CD1 4.39Å; V57-F83 HydrophobicContact CG2-CE1 3.27Å; V57-F83 HydrophobicContact CG2-CZ 3.51Å; L71-F83 HydrophobicContact CD1-CB 3.81Å; L71-F83 HydrophobicContact CD1-CD1 4.17Å; L71-F83 HydrophobicContact CD1-CG 4.33Å; V74-F83 HydrophobicContact CB-CD1 4.38Å; V74-F83 HydrophobicContact CG1-CD1 3.88Å; V74-F83 HydrophobicContact CG1-CE1 3.76Å; V74-F83 HydrophobicContact CG2-CD1 3.92Å; V74-F83 HydrophobicContact CG2-CE1 4.14Å; L81-F83 HydrophobicContact CD2-CE1 3.85Å; L81-F83 HydrophobicContact CD2-CE2 4.46Å; L81-F83 HydrophobicContact CD2-CZ 3.61Å; L81-F83 HydrophobicContact CG-CE1 4.15Å; L81-F83 HydrophobicContact CG-CZ 4.25Å; F83-F85 HydrophobicContact CB-CD2 4.04Å; F83-F85 HydrophobicContact CB-CE2 3.31Å; F83-F85 HydrophobicContact CB-CZ 3.8Å; F83-F85 HydrophobicContact CG-CE2 4.27Å; F83-F85 HydrophobicContact CG-CZ 4.41Å
84V94.6Very high93.4Very high0 Ų040.5 Ų40.50%019%0.187CC..EExtended strand (participates in β ladder)trans-98.1112.4176.9-173.40000108.3Y10 V36 V38 K72 E73 I75Y10-V84 HydrophobicContact CD1-CG1 4.46Å; Y10-V84 HydrophobicContact CD2-CG2 4.37Å; Y10-V84 HydrophobicContact CE1-CG1 3.81Å; Y10-V84 HydrophobicContact CE2-CG1 4.48Å; Y10-V84 HydrophobicContact CE2-CG2 4.04Å; V36-V84 HydrophobicContact CB-CG1 3.87Å; V36-V84 HydrophobicContact CG1-CG1 4.05Å; V36-V84 HydrophobicContact CG2-CG1 3.98Å; V38-V84 HydrophobicContact CG2-CG2 4.42Å; K72-V84 WeakPolarHBondContact CA-O 3.41Å; K72-V84 WeakPolarHBondContact CB-O 3.45Å; K72-V84 PolarHBondContact N-O 3.2Å; E73-V84 HydrophobicContact CB-CB 4.01Å; E73-V84 HydrophobicContact CB-CG2 4.16Å; E73-V84 PolarHBondContact N-O 3.22Å; E73-V84 PolarHBondContact O-N 3.32Å; I75-V84 HydrophobicContact CD1-CG2 3.74Å; I75-V84 HydrophobicContact CG1-CG2 4.32Å
85F94.9Very high93.6Very high22 Ų2240 Ų4010%0.09618%0.184CC..EExtended strand (participates in β ladder)trans-104.2160.9176.9-64.1-85000111.4V36 A37 K39 L60 V69 K70 L71 F83V36-F85 WeakPolarHBondContact CA-O 3.25Å; V36-F85 WeakPolarHBondContact CB-O 3.31Å; A37-F85 HydrophobicContact CB-CB 4.38Å; A37-F85 PolarHBondContact N-O 3.44Å; A37-F85 VanDerWaalsContact N-O 3.09Å; A37-F85 PolarHBondContact O-N 3Å; K39-F85 HydrophobicContact CB-CE2 4.11Å; K39-F85 HydrophobicContact CD-CE2 4.41Å; L60-F85 HydrophobicContact CD1-CE1 3.67Å; L60-F85 HydrophobicContact CD1-CZ 3.71Å; L60-F85 HydrophobicContact CD2-CE1 4.22Å; V69-F85 HydrophobicContact CG1-CD1 4.1Å; V69-F85 HydrophobicContact CG1-CE1 4.23Å; V69-F85 HydrophobicContact CG2-CB 4.28Å; V69-F85 HydrophobicContact CG2-CD1 4.1Å; K70-F85 WeakPolarHBondContact O-CA 3.24Å; L71-F85 HydrophobicContact CB-CD1 4.17Å; L71-F85 HydrophobicContact CB-CE1 3.93Å; L71-F85 HydrophobicContact CD1-CD1 4.18Å; L71-F85 HydrophobicContact CD1-CE1 3.84Å; L71-F85 HydrophobicContact CD1-CE2 4.4Å; L71-F85 HydrophobicContact CD1-CZ 3.95Å; L71-F85 HydrophobicContact CG-CE1 4.47Å; F83-F85 HydrophobicContact CB-CD2 4.04Å; F83-F85 HydrophobicContact CB-CE2 3.31Å; F83-F85 HydrophobicContact CB-CZ 3.8Å; F83-F85 HydrophobicContact CG-CE2 4.27Å; F83-F85 HydrophobicContact CG-CZ 4.41Å
86E95.2Very high93.7Very high40 Ų4040.4 Ų40.419%0.18719%0.187CC..EExtended strand (participates in β ladder)trans-56.2143.1159.869.3-175.2124.400110.4V69 K70 K72 K146V69-E86 HydrophobicContact CG2-CG 3.99Å; K70-E86 HydrophobicContact CB-CG 4.23Å; K70-E86 WeakPolarHBondContact CB-OE1 3.43Å; K70-E86 PolarHBondContact N-OE1 2.87Å; K70-E86 PolarHBondContact O-N 3.31Å; K70-E86 VanDerWaalsContact O-N 3.07Å; K72-E86 HydrophobicContact CD-CB 4.45Å; E86-K146 WeakPolarHBondContact OE1-CD 3.34Å; E86-K146 IonicContact OE1-NZ 2.65Å; E86-K146 PolarHBondContact OE1-NZ 3.34Å; E86-K146 WeakPolarHBondContact OE2-CE 3.44Å; E86-K146 IonicContact OE2-NZ 3.72Å; E86-K146 PolarHBondContact OE2-NZ 2.86Å
87Y95.8Very high93.7Very high60 Ų6043.1 Ų43.124%0.23520%0.201CC..  trans-79.8129.4175.9173.7-104.4000110.8I16 L26 K35I16-Y87 HydrophobicContact CD1-CE2 4.41Å; L26-Y87 HydrophobicContact CD1-CD2 3.6Å; L26-Y87 HydrophobicContact CD1-CE2 3.74Å; L26-Y87 HydrophobicContact CD1-CG 4.14Å; K35-Y87 HydrophobicContact CB-CD1 4.1Å; K35-Y87 HydrophobicContact CB-CG 4.11Å; K35-Y87 HydrophobicContact CD-CD1 4.15Å; K35-Y87 HydrophobicContact CD-CE1 4.25Å
88M95.8Very high93.7Very high14 Ų1446.9 Ų46.97%0.06922%0.217CC..  trans-111.7149169-60.1-65.8-7200109L138 L140 K146M88-L138 HydrophobicContact CB-CB 3.66Å; M88-L138 HydrophobicContact CB-CD1 4.02Å; M88-L138 HydrophobicContact CB-CG 4.4Å; M88-L138 HydrophobicContact CE-CB 4.17Å; M88-L138 HydrophobicContact CG-CB 3.69Å; M88-L138 HydrophobicContact CG-CD1 3.85Å; M88-L138 HydrophobicContact CG-CG 4.43Å; M88-L140 HydrophobicContact CE-CG 4Å; M88-L140 HydrophobicContact SD-CD1 4.47Å; M88-L140 HydrophobicContact SD-CD2 4.45Å; M88-L140 HydrophobicContact SD-CG 4.08Å; M88-K146 HydrophobicContact CE-CB 4.07Å; M88-K146 HydrophobicContact CE-CD 4Å; M88-K146 HydrophobicContact CE-CG 3.77Å; M88-K146 HydrophobicContact SD-CD 3.9Å; M88-K146 HydrophobicContact SD-CG 4.35Å
89K93.6Very high93.9Very high114 Ų11444.6 Ų44.650%0.49620%0.199SC..SBendtrans-72.4-45.3-168.4-177.1-171.4171-143.30112.5C139 L140K89-C139 PolarHBondContact N-O 2.97Å; K89-C139 VanDerWaalsContact N-O 3.15Å; K89-L140 HydrophobicContact CB-CD2 4.06Å
90E93.8Very high94Very high15 Ų1551.4 Ų51.47%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-155.9172.8-175.357.5-164.7121.400109.6E94 M95 K98 C139E90-E94 HydrophobicContact CB-CB 4.29Å; E90-E94 WeakPolarHBondContact CB-OE2 3.36Å; E90-M95 HydrophobicContact CG-CB 4.28Å; E90-K98 IonicContact OE2-NZ 3.76Å; E90-K98 PolarHBondContact OE2-NZ 3.04Å; E90-C139 HydrophobicContact CG-CB 4.47Å; E90-C139 PolarHBondContact N-O 2.86Å; E90-C139 PolarHBondContact O-N 3.42Å
91N94.6Very high94.1Very high24 Ų2454.9 Ų54.913%0.12825%0.25CC..EExtended strand (participates in β ladder)trans-99.7169.3168.757.857000111.2Y93 E94 M95 E135 V137 L138N91-Y93 VanDerWaalsContact C-N 3.29Å; N91-Y93 PolarHBondContact O-N 3.49Å; N91-Y93 WeakPolarHBondContact OD1-CB 3.29Å; N91-Y93 PolarHBondContact OD1-N 3.11Å; N91-E94 PolarHBondContact ND2-OE1 3.23Å; N91-E94 PolarHBondContact O-N 3.47Å; N91-E94 WeakPolarHBondContact OD1-CB 3.5Å; N91-E94 WeakPolarHBondContact OD1-CG 3.29Å; N91-E94 PolarHBondContact OD1-N 3.39Å; N91-M95 WeakPolarHBondContact O-CB 3.41Å; N91-M95 PolarHBondContact O-N 3.26Å; N91-E135 WeakPolarHBondContact CB-O 3.27Å; N91-V137 CarbonylContact C-O 3.34Å; N91-V137 VanDerWaalsContact CA-O 3.29Å; N91-V137 WeakPolarHBondContact CA-O 3.27Å; N91-L138 HydrophobicContact CB-CD2 4.03Å
92L96.6Very high94.2Very high1 Ų157.6 Ų57.61%0.00527%0.267CS..Hα-helixtrans-65.5-33.3-176.8-174.861.4000111.7M95 A96 M111 I115 P134 V137 I195 L199L92-M95 HydrophobicContact CD1-CE 3.45Å; L92-M95 VanDerWaalsContact CD1-CE 3.45Å; L92-M95 PolarHBondContact O-N 3.33Å; L92-A96 WeakPolarHBondContact O-CB 3.49Å; L92-A96 PolarHBondContact O-N 3.47Å; L92-M111 HydrophobicContact CD1-CE 4.33Å; L92-M111 HydrophobicContact CD1-SD 3.76Å; L92-I115 HydrophobicContact CD2-CD1 4.25Å; L92-P134 HydrophobicContact CB-CB 4.24Å; L92-P134 WeakPolarHBondContact CB-O 3.33Å; L92-P134 HydrophobicContact CG-CB 4.48Å; L92-P134 PolarHBondContact N-O 3.49Å; L92-P134 VanDerWaalsContact N-O 3.13Å; L92-V137 HydrophobicContact CB-CB 3.92Å; L92-V137 HydrophobicContact CB-CG1 3.98Å; L92-V137 HydrophobicContact CD2-CB 4.22Å; L92-V137 HydrophobicContact CD2-CG1 3.96Å; L92-V137 PolarHBondContact N-O 3.08Å; L92-I195 HydrophobicContact CD2-CG2 3.65Å; L92-L199 HydrophobicContact CD1-CD2 3.88Å; L92-L199 HydrophobicContact CD2-CD1 4.28Å; L92-L199 HydrophobicContact CD2-CD2 4.31Å; L92-L199 HydrophobicContact CG-CD2 4.09Å
93Y93.9Very high94.2Very high93 Ų9357.5 Ų57.537%0.36527%0.267SS..Hα-helixtrans-59.3-54.2173.6174.8-109.6000111.4N91 M95 A96 K97 P134 E135N91-Y93 VanDerWaalsContact C-N 3.29Å; N91-Y93 PolarHBondContact O-N 3.49Å; N91-Y93 WeakPolarHBondContact OD1-CB 3.29Å; N91-Y93 PolarHBondContact OD1-N 3.11Å; Y93-M95 VanDerWaalsContact C-N 3.28Å; Y93-M95 PolarHBondContact O-N 2.99Å; Y93-A96 PolarHBondContact O-N 2.88Å; Y93-K97 HydrophobicContact CE1-CD 3.98Å; Y93-K97 VanDerWaalsContact O-CB 3.26Å; Y93-K97 WeakPolarHBondContact O-CB 3.42Å; Y93-K97 PolarHBondContact O-N 3.14Å; Y93-P134 PolarHBondContact N-O 3.38Å; Y93-E135 HydrophobicContact CG-CG 4.38Å
94E93.4Very high94.3Very high75 Ų7561.1 Ų61.135%0.3529%0.291SS..Hα-helixtrans-59.7-40.8178.2-74.8169.7-156.400111.9E90 N91 K97 K98E90-E94 HydrophobicContact CB-CB 4.29Å; E90-E94 WeakPolarHBondContact CB-OE2 3.36Å; N91-E94 PolarHBondContact ND2-OE1 3.23Å; N91-E94 PolarHBondContact O-N 3.47Å; N91-E94 WeakPolarHBondContact OD1-CB 3.5Å; N91-E94 WeakPolarHBondContact OD1-CG 3.29Å; N91-E94 PolarHBondContact OD1-N 3.39Å; E94-K97 PolarHBondContact O-N 3.01Å; E94-K98 WeakPolarHBondContact O-CD 3.31Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.46Å; E94-K98 PolarHBondContact O-N 2.83Å
95M95.3Very high94.3Very high12 Ų1263.5 Ų63.56%0.05930%0.302CS..Hα-helixtrans-67.1-38.8-179.7-165.3179.852.500111.8E90 N91 L92 Y93 F103 M111 C139 P142E90-M95 HydrophobicContact CG-CB 4.28Å; N91-M95 WeakPolarHBondContact O-CB 3.41Å; N91-M95 PolarHBondContact O-N 3.26Å; L92-M95 HydrophobicContact CD1-CE 3.45Å; L92-M95 VanDerWaalsContact CD1-CE 3.45Å; L92-M95 PolarHBondContact O-N 3.33Å; Y93-M95 VanDerWaalsContact C-N 3.28Å; Y93-M95 PolarHBondContact O-N 2.99Å; M95-F103 HydrophobicContact CE-CZ 4.09Å; M95-F103 HydrophobicContact CG-CZ 4Å; M95-F103 HydrophobicContact SD-CZ 4.29Å; M95-M111 HydrophobicContact CE-CE 4.5Å; M95-M111 HydrophobicContact CE-SD 3.38Å; M95-M111 WeakPolarHBondContact CE-SD 3.33Å; M95-C139 HydrophobicContact CE-CB 4.23Å; M95-C139 HydrophobicContact SD-CB 4.2Å; M95-P142 HydrophobicContact CE-CG 4.45Å; M95-P142 HydrophobicContact SD-CG 4.17Å
96A94.4Very high94.3Very high14 Ų1465.4 Ų65.412%0.11632%0.317CS..Hα-helixtrans-70.6-46.9174.600000111.3L92 Y93 K98 R99 L199 M202L92-A96 WeakPolarHBondContact O-CB 3.49Å; L92-A96 PolarHBondContact O-N 3.47Å; Y93-A96 PolarHBondContact O-N 2.88Å; A96-K98 PolarHBondContact O-N 2.94Å; A96-K98 VanDerWaalsContact O-N 3.11Å; A96-R99 WeakPolarHBondContact O-CB 3.48Å; A96-R99 PolarHBondContact O-N 3.17Å; A96-L199 HydrophobicContact CB-CD2 4.28Å; A96-M202 WeakPolarHBondContact O-CE 3.49Å
97K91.8Very high94.3Very high139 Ų13963.8 Ų63.860%0.60431%0.309SS*.Hα-helixtrans-58-27.9-177.5-176173.2-177.9171.60114.2Y93 E94 R99Y93-K97 HydrophobicContact CE1-CD 3.98Å; Y93-K97 VanDerWaalsContact O-CB 3.26Å; Y93-K97 WeakPolarHBondContact O-CB 3.42Å; Y93-K97 PolarHBondContact O-N 3.14Å; E94-K97 PolarHBondContact O-N 3.01Å; K97-R99 PolarHBondContact O-N 2.94Å
98K93.4Very high94.3Very high139 Ų13960.9 Ų60.960%0.60430%0.298SS*.THydrogen-bonded Turntrans-73.9-5.6178.5-72.7165.1-168.8166.10114.1E90 E94 A96E90-K98 IonicContact OE2-NZ 3.76Å; E90-K98 PolarHBondContact OE2-NZ 3.04Å; E94-K98 WeakPolarHBondContact O-CD 3.31Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.46Å; E94-K98 PolarHBondContact O-N 2.83Å; A96-K98 PolarHBondContact O-N 2.94Å; A96-K98 VanDerWaalsContact O-N 3.11Å
99R94Very high94.3Very high86 Ų8660.3 Ų60.333%0.32530%0.295SS..  trans-102.6146.5-173.7-62.6-178.158.778.62.7111.8A96 K97 T101 P102 F103 M202A96-R99 WeakPolarHBondContact O-CB 3.48Å; A96-R99 PolarHBondContact O-N 3.17Å; K97-R99 PolarHBondContact O-N 2.94Å; R99-T101 WeakPolarHBondContact CB-O 3.43Å; R99-T101 PolarHBondContact NE-O 2.86Å; R99-T101 PolarHBondContact NH2-O 3.1Å; R99-P102 PolarHBondContact NH2-O 3.31Å; R99-F103 HydrophobicContact CG-CZ 4.42Å; R99-M202 HydrophobicContact CB-CE 3.64Å; R99-M202 WeakPolarHBondContact O-CE 3.35Å
100E93.9Very high94.4Very high197 Ų19755.1 Ų55.192%0.92127%0.273SS*.SBendtrans-88.5-24.8170.8-63.6177179.800112.1
101T94.2Very high94.6Very high87 Ų8754.4 Ų54.453%0.53427%0.269SS..SBendtrans-128.9152.2179.456.90000111.4R99R99-T101 WeakPolarHBondContact CB-O 3.43Å; R99-T101 PolarHBondContact NE-O 2.86Å; R99-T101 PolarHBondContact NH2-O 3.1Å
102P93.8Very high94.8Very high57 Ų5753.3 Ų53.337%0.3726%0.263SS..PPolyproline II helixtrans-53.7158.9175.5-24.333.3000112.7R99 Y200 M202R99-P102 PolarHBondContact NH2-O 3.31Å; P102-Y200 WeakPolarHBondContact CG-O 3.34Å; P102-M202 HydrophobicContact CB-CG 4.27Å; P102-M202 HydrophobicContact CG-CG 3.83Å
103F93.7Very high94.9Very high18 Ų1853.3 Ų53.38%0.07926%0.264CS..PPolyproline II helixtrans-66.3148.3168.3-72.7-81.9000110.1M95 R99 Q105 I107 I108 M111 P142 L199M95-F103 HydrophobicContact CE-CZ 4.09Å; M95-F103 HydrophobicContact CG-CZ 4Å; M95-F103 HydrophobicContact SD-CZ 4.29Å; R99-F103 HydrophobicContact CG-CZ 4.42Å; F103-Q105 PolarHBondContact O-N 3.46Å; F103-I107 HydrophobicContact CB-CB 4.32Å; F103-I107 HydrophobicContact CB-CG2 4.31Å; F103-I107 HydrophobicContact CD1-CG2 3.88Å; F103-I107 HydrophobicContact CG-CG2 4.33Å; F103-I108 HydrophobicContact CB-CD1 4.22Å; F103-I108 HydrophobicContact CB-CG1 3.64Å; F103-I108 VanDerWaalsContact O-CD1 3.32Å; F103-I108 WeakPolarHBondContact O-CD1 3.38Å; F103-M111 HydrophobicContact CB-CE 4.47Å; F103-M111 HydrophobicContact CD1-CE 4.48Å; F103-M111 HydrophobicContact CD2-CE 3.78Å; F103-M111 HydrophobicContact CE2-CE 4.04Å; F103-M111 HydrophobicContact CG-CE 4Å; F103-M111 HydrophobicContact CZ-CE 4.48Å; F103-P142 HydrophobicContact CE1-CG 4.05Å; F103-L199 HydrophobicContact CD2-CD2 4.43Å
104P93.6Very high95.1Very high77 Ų7749.4 Ų49.450%0.525%0.249SC..PPolyproline II helixtrans-55.5140.5168.1-23.433.5000110.6P106 I107 I108P104-P106 VanDerWaalsContact C-CD 3.43Å; P104-P106 VanDerWaalsContact C-N 3.32Å; P104-P106 VanDerWaalsContact O-N 3.15Å; P104-I107 HydrophobicContact CB-CG1 4.39Å; P104-I107 WeakPolarHBondContact O-CA 3.24Å; P104-I107 WeakPolarHBondContact O-CB 3.44Å; P104-I107 PolarHBondContact O-N 3.32Å; P104-I108 PolarHBondContact O-N 3.27Å
105Q94.5Very high95.3Very high49 Ų4945.9 Ų45.923%0.22923%0.233CC..Hα-helixtrans-46.2-46.6-178.6160.4167.6-48.300114F103 I107 I108 C109 Y200 S260 V263F103-Q105 PolarHBondContact O-N 3.46Å; Q105-I107 PolarHBondContact O-N 3.43Å; Q105-I107 VanDerWaalsContact O-N 3.09Å; Q105-I108 PolarHBondContact O-N 3.4Å; Q105-C109 PolarHBondContact O-N 3.28Å; Q105-C109 PolarHBondContact O-SG 3.44Å; Q105-Y200 HydrophobicContact CB-CE1 4.33Å; Q105-Y200 WeakPolarHBondContact CB-OH 3.19Å; Q105-Y200 VanDerWaalsContact CG-OH 3.22Å; Q105-Y200 WeakPolarHBondContact CG-OH 3.02Å; Q105-Y200 PolarHBondContact OE1-OH 2.86Å; Q105-S260 VanDerWaalsContact NE2-CB 3.31Å; Q105-S260 PolarHBondContact NE2-OG 2.92Å; Q105-S260 PolarHBondContact OE1-OG 3.07Å; Q105-V263 HydrophobicContact CG-CG2 4.33Å
106P94.2Very high95.5Very high62 Ų6245.3 Ų45.340%0.40323%0.23SC..Hα-helixtrans-56.6-31.1179.5-27.436.1000113.5P104 L110 A296P104-P106 VanDerWaalsContact C-CD 3.43Å; P104-P106 VanDerWaalsContact C-N 3.32Å; P104-P106 VanDerWaalsContact O-N 3.15Å; P106-L110 VanDerWaalsContact O-CB 3.31Å; P106-L110 WeakPolarHBondContact O-CB 3.45Å; P106-L110 PolarHBondContact O-N 3.27Å; P106-A296 HydrophobicContact CB-CB 3.5Å
107I95.1Very high95.6Very high6 Ų649.1 Ų49.13%0.03124%0.241CC..Hα-helixtrans-78.1-39.8177.9-55.7-52.9000111.4F103 P104 Q105 L110 M111 P142 A296 V300F103-I107 HydrophobicContact CB-CB 4.32Å; F103-I107 HydrophobicContact CB-CG2 4.31Å; F103-I107 HydrophobicContact CD1-CG2 3.88Å; F103-I107 HydrophobicContact CG-CG2 4.33Å; P104-I107 HydrophobicContact CB-CG1 4.39Å; P104-I107 WeakPolarHBondContact O-CA 3.24Å; P104-I107 WeakPolarHBondContact O-CB 3.44Å; P104-I107 PolarHBondContact O-N 3.32Å; Q105-I107 PolarHBondContact O-N 3.43Å; Q105-I107 VanDerWaalsContact O-N 3.09Å; I107-L110 PolarHBondContact O-N 2.82Å; I107-M111 HydrophobicContact CG2-CE 4.21Å; I107-M111 WeakPolarHBondContact O-CG 3.48Å; I107-M111 PolarHBondContact O-N 3.01Å; I107-P142 HydrophobicContact CG2-CB 3.4Å; I107-P142 HydrophobicContact CG2-CG 3.81Å; I107-A296 HydrophobicContact CD1-CB 3.67Å; I107-V300 HydrophobicContact CD1-CG2 3.38Å; I107-V300 HydrophobicContact CG1-CG2 3.88Å
108I96.3Very high95.9Very high0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-61-46.9172.2-59.9177.6000110.3F103 P104 Q105 L110 M111 T112 M196 L199 Y200F103-I108 HydrophobicContact CB-CD1 4.22Å; F103-I108 HydrophobicContact CB-CG1 3.64Å; F103-I108 VanDerWaalsContact O-CD1 3.32Å; F103-I108 WeakPolarHBondContact O-CD1 3.38Å; P104-I108 PolarHBondContact O-N 3.27Å; Q105-I108 PolarHBondContact O-N 3.4Å; I108-L110 VanDerWaalsContact C-N 3.33Å; I108-L110 PolarHBondContact O-N 3.31Å; I108-M111 PolarHBondContact O-N 3.36Å; I108-T112 WeakPolarHBondContact O-CB 3.46Å; I108-T112 PolarHBondContact O-N 3.48Å; I108-T112 PolarHBondContact O-OG1 3.44Å; I108-M196 HydrophobicContact CG2-CE 4.49Å; I108-M196 HydrophobicContact CG2-CG 4.1Å; I108-L199 HydrophobicContact CD1-CB 4.14Å; I108-L199 HydrophobicContact CG1-CB 4.14Å; I108-L199 HydrophobicContact CG2-CB 3.93Å; I108-L199 HydrophobicContact CG2-CD1 4Å; I108-Y200 HydrophobicContact CB-CE2 4.08Å; I108-Y200 HydrophobicContact CD1-CD1 3.85Å; I108-Y200 HydrophobicContact CD1-CD2 3.7Å; I108-Y200 HydrophobicContact CD1-CE1 3.91Å; I108-Y200 HydrophobicContact CD1-CE2 3.74Å; I108-Y200 HydrophobicContact CD1-CG 3.74Å; I108-Y200 HydrophobicContact CG2-CD2 3.96Å; I108-Y200 HydrophobicContact CG2-CE2 3.53Å
109C96.7Very high96.2Very high1 Ų135.9 Ų35.91%0.00718%0.183CC..Hα-helixtrans-59.4-42.4175.3-71.10000111.8Q105 T112 A113 C289 F290 A293Q105-C109 PolarHBondContact O-N 3.28Å; Q105-C109 PolarHBondContact O-SG 3.44Å; C109-T112 PolarHBondContact O-N 2.67Å; C109-A113 VanDerWaalsContact O-CB 3.27Å; C109-A113 WeakPolarHBondContact O-CB 3.41Å; C109-A113 PolarHBondContact O-N 2.94Å; C109-C289 WeakPolarHBondContact CB-O 3.49Å; C109-C289 PolarHBondContact SG-O 3.16Å; C109-C289 VanDerWaalsContact SG-O 3.32Å; C109-F290 HydrophobicContact CB-CD1 4.08Å; C109-F290 HydrophobicContact CB-CE1 4.39Å; C109-F290 WeakPolarHBondContact O-CD1 3.46Å; C109-F290 VanDerWaalsContact O-CE1 3.31Å; C109-F290 WeakPolarHBondContact O-CE1 3.46Å; C109-A293 HydrophobicContact CB-CB 4.29Å
110L96.2Very high96.4Very high5 Ų532.5 Ų32.53%0.02617%0.174CC..Hα-helixtrans-61.1-49.4177.6173.967.6000112.2P106 I107 I108 A113 Q114 A293 I297P106-L110 VanDerWaalsContact O-CB 3.31Å; P106-L110 WeakPolarHBondContact O-CB 3.45Å; P106-L110 PolarHBondContact O-N 3.27Å; I107-L110 PolarHBondContact O-N 2.82Å; I108-L110 VanDerWaalsContact C-N 3.33Å; I108-L110 PolarHBondContact O-N 3.31Å; L110-A113 PolarHBondContact O-N 3.11Å; L110-Q114 WeakPolarHBondContact O-CG 3.45Å; L110-Q114 PolarHBondContact O-N 3.49Å; L110-Q114 VanDerWaalsContact O-N 3.08Å; L110-A293 HydrophobicContact CB-CB 4.15Å; L110-I297 HydrophobicContact CD1-CD1 3.98Å; L110-I297 HydrophobicContact CD1-CG1 4.28Å; L110-I297 HydrophobicContact CD2-CD1 3.76Å; L110-I297 HydrophobicContact CD2-CG1 3.3Å; L110-I297 HydrophobicContact CG-CD1 4.5Å; L110-I297 HydrophobicContact CG-CG1 4.41Å
111M97.5Very high96.5Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-63.6-45179.4-66.9-172.3-68.200110.7L92 M95 F103 I107 I108 A113 Q114 I115 P142 V145 L199L92-M111 HydrophobicContact CD1-CE 4.33Å; L92-M111 HydrophobicContact CD1-SD 3.76Å; M95-M111 HydrophobicContact CE-CE 4.5Å; M95-M111 HydrophobicContact CE-SD 3.38Å; M95-M111 WeakPolarHBondContact CE-SD 3.33Å; F103-M111 HydrophobicContact CB-CE 4.47Å; F103-M111 HydrophobicContact CD1-CE 4.48Å; F103-M111 HydrophobicContact CD2-CE 3.78Å; F103-M111 HydrophobicContact CE2-CE 4.04Å; F103-M111 HydrophobicContact CG-CE 4Å; F103-M111 HydrophobicContact CZ-CE 4.48Å; I107-M111 HydrophobicContact CG2-CE 4.21Å; I107-M111 WeakPolarHBondContact O-CG 3.48Å; I107-M111 PolarHBondContact O-N 3.01Å; I108-M111 PolarHBondContact O-N 3.36Å; M111-A113 VanDerWaalsContact C-N 3.35Å; M111-A113 PolarHBondContact O-N 3.36Å; M111-Q114 WeakPolarHBondContact O-CB 3.09Å; M111-Q114 PolarHBondContact O-N 2.98Å; M111-Q114 VanDerWaalsContact O-N 3.15Å; M111-I115 WeakPolarHBondContact O-CG1 3.18Å; M111-I115 PolarHBondContact O-N 3.48Å; M111-P142 HydrophobicContact CG-CB 3.96Å; M111-P142 HydrophobicContact SD-CB 3.91Å; M111-P142 HydrophobicContact SD-CG 4.4Å; M111-V145 HydrophobicContact CB-CG2 4.22Å; M111-V145 HydrophobicContact CG-CG2 3.97Å; M111-L199 HydrophobicContact CE-CD1 3.87Å; M111-L199 HydrophobicContact CE-CD2 4.25Å
112T98.1Very high96.6Very high1 Ų121.4 Ų21.41%0.00611%0.114CC..Hα-helixtrans-60.3-43.8177.2-54.80000111.5I108 C109 Q114 I115 L116 V192 M196 F290I108-T112 WeakPolarHBondContact O-CB 3.46Å; I108-T112 PolarHBondContact O-N 3.48Å; I108-T112 PolarHBondContact O-OG1 3.44Å; C109-T112 PolarHBondContact O-N 2.67Å; T112-Q114 VanDerWaalsContact C-N 3.31Å; T112-Q114 PolarHBondContact O-N 2.81Å; T112-I115 PolarHBondContact O-N 2.95Å; T112-L116 HydrophobicContact CG2-CD1 4.13Å; T112-L116 HydrophobicContact CG2-CG 4.46Å; T112-L116 WeakPolarHBondContact O-CG 3.32Å; T112-L116 PolarHBondContact O-N 2.92Å; T112-V192 HydrophobicContact CG2-CG1 3.93Å; T112-M196 HydrophobicContact CG2-CB 4.29Å; T112-M196 HydrophobicContact CG2-CG 4.24Å; T112-M196 HydrophobicContact CG2-SD 3.82Å; T112-F290 HydrophobicContact CG2-CE1 4.26Å; T112-F290 HydrophobicContact CG2-CZ 4.19Å
113A97.9Very high96.7Very high1 Ų120.1 Ų20.11%0.00810%0.103CC..Hα-helixtrans-62.1-37.9176.600000112.3C109 L110 M111 L116 R117 L285 F290C109-A113 VanDerWaalsContact O-CB 3.27Å; C109-A113 WeakPolarHBondContact O-CB 3.41Å; C109-A113 PolarHBondContact O-N 2.94Å; L110-A113 PolarHBondContact O-N 3.11Å; M111-A113 VanDerWaalsContact C-N 3.35Å; M111-A113 PolarHBondContact O-N 3.36Å; A113-L116 PolarHBondContact O-N 3.24Å; A113-R117 WeakPolarHBondContact O-CB 3.29Å; A113-R117 VanDerWaalsContact O-CG 3.27Å; A113-R117 WeakPolarHBondContact O-CG 3.43Å; A113-R117 PolarHBondContact O-N 2.86Å; A113-R117 PolarHBondContact O-NH1 3.17Å; A113-L285 HydrophobicContact CB-CD2 4.1Å; A113-F290 HydrophobicContact CB-CD1 3.64Å; A113-F290 HydrophobicContact CB-CE1 3.85Å; A113-F290 HydrophobicContact CB-CG 4.18Å
114Q98Very high96.7Very high11 Ų1128 Ų285%0.05114%0.138CC..Hα-helixtrans-65-43.2175.2-75.8-178.884.600111.9N67 L110 M111 T112 R117 G118 P142 E143 V145N67-Q114 WeakPolarHBondContact CB-O 3.28Å; N67-Q114 VanDerWaalsContact CG-O 3.29Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.45Å; N67-Q114 PolarHBondContact ND2-OE1 3.39Å; N67-Q114 PolarHBondContact OD1-O 3.22Å; L110-Q114 WeakPolarHBondContact O-CG 3.45Å; L110-Q114 PolarHBondContact O-N 3.49Å; L110-Q114 VanDerWaalsContact O-N 3.08Å; M111-Q114 WeakPolarHBondContact O-CB 3.09Å; M111-Q114 PolarHBondContact O-N 2.98Å; M111-Q114 VanDerWaalsContact O-N 3.15Å; T112-Q114 VanDerWaalsContact C-N 3.31Å; T112-Q114 PolarHBondContact O-N 2.81Å; Q114-R117 PolarHBondContact O-N 3.11Å; Q114-G118 PolarHBondContact O-N 3.49Å; Q114-P142 PolarHBondContact NE2-O 3.04Å; Q114-E143 PolarHBondContact OE1-O 3.32Å; Q114-V145 HydrophobicContact CB-CB 4.05Å
115I98.7Very high96.7Very high2 Ų228.1 Ų28.11%0.0113%0.131CC..Hα-helixtrans-60.5-48.7174.7-61.3164.2000110L92 M111 T112 R117 G118 L119 M132 V137 V145 I147 V192 I195L92-I115 HydrophobicContact CD2-CD1 4.25Å; M111-I115 WeakPolarHBondContact O-CG1 3.18Å; M111-I115 PolarHBondContact O-N 3.48Å; T112-I115 PolarHBondContact O-N 2.95Å; I115-R117 VanDerWaalsContact C-N 3.35Å; I115-R117 PolarHBondContact O-N 2.96Å; I115-G118 WeakPolarHBondContact O-CA 3.45Å; I115-G118 PolarHBondContact O-N 3.11Å; I115-G118 VanDerWaalsContact O-N 3.12Å; I115-L119 HydrophobicContact CG2-CD1 4.36Å; I115-L119 PolarHBondContact O-N 3.25Å; I115-M132 HydrophobicContact CG2-CE 3.6Å; I115-V137 HydrophobicContact CD1-CG1 3.96Å; I115-V137 HydrophobicContact CD1-CG2 4.29Å; I115-V137 HydrophobicContact CG1-CG1 3.98Å; I115-V137 HydrophobicContact CG1-CG2 4.47Å; I115-V145 HydrophobicContact CG1-CG1 3.87Å; I115-I147 HydrophobicContact CG2-CD1 4.35Å; I115-I147 HydrophobicContact CG2-CG1 4.49Å; I115-V192 HydrophobicContact CG2-CG2 3.67Å; I115-I195 HydrophobicContact CD1-CG2 4.34Å
116L98.7Very high96.5Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-61.9-38178.6-71.6171.6000112.8T112 A113 G118 L119 A120 L189 V192 A281 A284 L285 F290T112-L116 HydrophobicContact CG2-CD1 4.13Å; T112-L116 HydrophobicContact CG2-CG 4.46Å; T112-L116 WeakPolarHBondContact O-CG 3.32Å; T112-L116 PolarHBondContact O-N 2.92Å; A113-L116 PolarHBondContact O-N 3.24Å; L116-G118 VanDerWaalsContact C-N 3.35Å; L116-L119 PolarHBondContact O-N 3.39Å; L116-A120 VanDerWaalsContact O-CB 3.29Å; L116-A120 WeakPolarHBondContact O-CB 3.26Å; L116-A120 PolarHBondContact O-N 2.79Å; L116-L189 HydrophobicContact CD2-CD1 3.7Å; L116-V192 HydrophobicContact CD2-CG1 3.98Å; L116-V192 HydrophobicContact CG-CG1 4.2Å; L116-A281 HydrophobicContact CD2-CB 4.33Å; L116-A284 HydrophobicContact CD1-CB 3.96Å; L116-A284 HydrophobicContact CD2-CB 4.17Å; L116-L285 HydrophobicContact CB-CD1 4.28Å; L116-L285 HydrophobicContact CB-CD2 3.79Å; L116-L285 HydrophobicContact CB-CG 3.81Å; L116-L285 HydrophobicContact CD1-CD2 4.4Å; L116-L285 HydrophobicContact CD1-CG 4.48Å; L116-F290 HydrophobicContact CD1-CE2 3.92Å; L116-F290 HydrophobicContact CD1-CZ 3.6Å
117R98.3Very high96.3Very high93 Ų9324.4 Ų24.435%0.35112%0.115SC..Hα-helixtrans-63.2-41.6173.3-73.9177.2-164.8105.8-0.8111.7A113 Q114 I115 Y121 L285A113-R117 WeakPolarHBondContact O-CB 3.29Å; A113-R117 VanDerWaalsContact O-CG 3.27Å; A113-R117 WeakPolarHBondContact O-CG 3.43Å; A113-R117 PolarHBondContact O-N 2.86Å; A113-R117 PolarHBondContact O-NH1 3.17Å; Q114-R117 PolarHBondContact O-N 3.11Å; I115-R117 VanDerWaalsContact C-N 3.35Å; I115-R117 PolarHBondContact O-N 2.96Å; R117-Y121 PolarHBondContact O-N 2.79Å; R117-Y121 VanDerWaalsContact O-N 3.1Å; R117-L285 HydrophobicContact CB-CD1 4.49Å; R117-L285 HydrophobicContact CG-CD1 3.75Å; R117-L285 HydrophobicContact CG-CD2 3.98Å
118G98Very high96.2Very high0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-59-51173.300000112Q114 I115 L116 Y121 I122Q114-G118 PolarHBondContact O-N 3.49Å; I115-G118 WeakPolarHBondContact O-CA 3.45Å; I115-G118 PolarHBondContact O-N 3.11Å; I115-G118 VanDerWaalsContact O-N 3.12Å; L116-G118 VanDerWaalsContact C-N 3.35Å; G118-Y121 WeakPolarHBondContact O-CB 3.47Å; G118-Y121 PolarHBondContact O-N 3.36Å; G118-I122 WeakPolarHBondContact O-CD1 3.44Å; G118-I122 VanDerWaalsContact O-CG1 3.26Å; G118-I122 WeakPolarHBondContact O-CG1 3.19Å; G118-I122 PolarHBondContact O-N 3.42Å
119L98.2Very high96Very high0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-63.1-42.7178-74178.1000112.6I115 L116 Y121 I122 H123 H129 M132 I147 D188 V192 A281I115-L119 HydrophobicContact CG2-CD1 4.36Å; I115-L119 PolarHBondContact O-N 3.25Å; L116-L119 PolarHBondContact O-N 3.39Å; L119-Y121 PolarHBondContact O-N 3.41Å; L119-I122 HydrophobicContact CD2-CD1 4.31Å; L119-I122 PolarHBondContact O-N 3.2Å; L119-I122 VanDerWaalsContact O-N 3.14Å; L119-H123 VanDerWaalsContact O-CB 3.31Å; L119-H123 WeakPolarHBondContact O-CB 3.38Å; L119-H123 PolarHBondContact O-CD2 3.31Å; L119-H123 PolarHBondContact O-N 3Å; L119-H129 HydrophobicContact CD2-CB 4.2Å; L119-M132 HydrophobicContact CD2-CG 4.2Å; L119-M132 HydrophobicContact CD2-SD 3.96Å; L119-I147 HydrophobicContact CB-CD1 4.49Å; L119-I147 HydrophobicContact CD2-CD1 3.87Å; L119-I147 HydrophobicContact CG-CD1 3.73Å; L119-D188 HydrophobicContact CD1-CB 3.91Å; L119-D188 HydrophobicContact CD2-CB 3.94Å; L119-V192 HydrophobicContact CD1-CG2 3.47Å; L119-V192 VanDerWaalsContact CD1-CG2 3.47Å; L119-A281 HydrophobicContact CB-CB 4.19Å
120A98Very high95.8Very high16 Ų1624.2 Ų24.213%0.13211%0.113CC..Hα-helixtrans-55.7-42.1175.200000111.6L116 K124 A281 T282L116-A120 VanDerWaalsContact O-CB 3.29Å; L116-A120 WeakPolarHBondContact O-CB 3.26Å; L116-A120 PolarHBondContact O-N 2.79Å; A120-K124 VanDerWaalsContact O-CB 3.25Å; A120-K124 WeakPolarHBondContact O-CB 3.48Å; A120-K124 PolarHBondContact O-N 2.83Å; A120-A281 HydrophobicContact CB-CB 3.82Å; A120-T282 HydrophobicContact CB-CG2 3.79Å
121Y97Very high95.6Very high50 Ų5024.3 Ų24.320%0.19611%0.114CC..Hα-helixtrans-66.7-46.2175.9-179.7-90.2000112.3L63 N64 H65 V68 R117 G118 L119 K124 H125L63-Y121 HydrophobicContact CB-CE1 4.28Å; L63-Y121 HydrophobicContact CD2-CD1 4.03Å; L63-Y121 HydrophobicContact CD2-CE1 3.74Å; N64-Y121 PolarHBondContact N-OH 2.83Å; N64-Y121 VanDerWaalsContact N-OH 3.09Å; N64-Y121 PolarHBondContact O-OH 3.01Å; N64-Y121 VanDerWaalsContact O-OH 3.12Å; H65-Y121 HydrophobicContact CB-CD1 3.5Å; H65-Y121 HydrophobicContact CB-CD2 4.01Å; H65-Y121 HydrophobicContact CB-CE1 3.7Å; H65-Y121 HydrophobicContact CB-CE2 4.19Å; H65-Y121 HydrophobicContact CB-CG 3.66Å; H65-Y121 AromaticContact CD2-CD2 3.66Å; H65-Y121 AromaticContact CD2-CG 3.75Å; H65-Y121 AromaticContact CG-CG 3.71Å; V68-Y121 HydrophobicContact CG2-CD1 4.48Å; R117-Y121 PolarHBondContact O-N 2.79Å; R117-Y121 VanDerWaalsContact O-N 3.1Å; G118-Y121 WeakPolarHBondContact O-CB 3.47Å; G118-Y121 PolarHBondContact O-N 3.36Å; L119-Y121 PolarHBondContact O-N 3.41Å; Y121-K124 PolarHBondContact O-N 2.8Å; Y121-H125 AromaticContact CD1-ND1 3.95Å; Y121-H125 AromaticContact CD2-CE1 3.72Å; Y121-H125 AromaticContact CD2-ND1 3.98Å; Y121-H125 AromaticContact CE1-CE1 3.84Å; Y121-H125 AromaticContact CE1-ND1 3.75Å; Y121-H125 AromaticContact CE2-CE1 3.19Å; Y121-H125 WeakPolarHBondContact CE2-CE1 3.38Å; Y121-H125 AromaticContact CE2-ND1 3.8Å; Y121-H125 AromaticContact CZ-CE1 3.26Å; Y121-H125 AromaticContact CZ-ND1 3.67Å; Y121-H125 AromaticContact CZ-NE2 3.82Å; Y121-H125 PolarHBondContact O-N 2.97Å; Y121-H125 VanDerWaalsContact O-N 3.14Å; Y121-H125 PolarHBondContact O-ND1 3.28Å
122I95.6Very high95.5Very high0 Ų024.4 Ų24.40%011%0.114CC..Hα-helixtrans-60-48.8178.2-66.4160.3000110.6L63 V68 G118 L119 K124 H125 G126 F127 I147 F150L63-I122 HydrophobicContact CD1-CG1 4.33Å; L63-I122 HydrophobicContact CD2-CG1 4.29Å; V68-I122 HydrophobicContact CG2-CD1 3.93Å; V68-I122 HydrophobicContact CG2-CG1 3.93Å; G118-I122 WeakPolarHBondContact O-CD1 3.44Å; G118-I122 VanDerWaalsContact O-CG1 3.26Å; G118-I122 WeakPolarHBondContact O-CG1 3.19Å; G118-I122 PolarHBondContact O-N 3.42Å; L119-I122 HydrophobicContact CD2-CD1 4.31Å; L119-I122 PolarHBondContact O-N 3.2Å; L119-I122 VanDerWaalsContact O-N 3.14Å; I122-K124 PolarHBondContact O-N 3.14Å; I122-H125 CarbonylContact O-C 3.6Å; I122-H125 PolarHBondContact O-N 3.28Å; I122-H125 VanDerWaalsContact O-N 3.11Å; I122-G126 PolarHBondContact O-N 3.4Å; I122-F127 CarbonylContact C-O 3.54Å; I122-F127 HydrophobicContact CG2-CB 3.75Å; I122-F127 PolarHBondContact O-N 2.84Å; I122-F127 VanDerWaalsContact O-N 3.11Å; I122-I147 HydrophobicContact CD1-CB 4.4Å; I122-I147 HydrophobicContact CD1-CD1 3.8Å; I122-I147 HydrophobicContact CD1-CG2 4.18Å; I122-F150 HydrophobicContact CD1-CE1 3.64Å; I122-F150 HydrophobicContact CD1-CZ 3.7Å; I122-F150 HydrophobicContact CG1-CE1 3.99Å; I122-F150 HydrophobicContact CG1-CZ 4.26Å; I122-F150 HydrophobicContact CG2-CE1 4.32Å
123H95.8Very high95.3Very high31 Ų3125.6 Ų25.614%0.14412%0.12CC..Hα-helixtrans-62.2-41.7179.3-63.4172.8000111.8L119 H125 G126 F127 D188L119-H123 VanDerWaalsContact O-CB 3.31Å; L119-H123 WeakPolarHBondContact O-CB 3.38Å; L119-H123 PolarHBondContact O-CD2 3.31Å; L119-H123 PolarHBondContact O-N 3Å; H123-H125 VanDerWaalsContact C-N 3.26Å; H123-H125 PolarHBondContact O-N 2.97Å; H123-G126 PolarHBondContact O-N 2.99Å; H123-F127 WeakPolarHBondContact CA-O 3.19Å; H123-F127 PolarHBondContact CD2-O 3.12Å; H123-F127 VanDerWaalsContact CD2-O 3.25Å; H123-F127 PolarHBondContact N-O 2.91Å; H123-D188 IonicContact CD2-OD2 2.8Å; H123-D188 IonicContact CE1-OD2 2.65Å; H123-D188 IonicContact NE2-OD2 3.24Å; H123-D188 PolarHBondContact NE2-OD2 2.94Å
124K95.1Very high95.2Very high183 Ų18325.8 Ų25.880%0.79612%0.12SC*.Hα-helixtrans-61.6-33174.8-176.2178.7178.7-1780112.7A120 Y121 I122 G126A120-K124 VanDerWaalsContact O-CB 3.25Å; A120-K124 WeakPolarHBondContact O-CB 3.48Å; A120-K124 PolarHBondContact O-N 2.83Å; Y121-K124 PolarHBondContact O-N 2.8Å; I122-K124 PolarHBondContact O-N 3.14Å; K124-G126 PolarHBondContact O-N 3.33Å
125H93Very high95Very high79 Ų7928.3 Ų28.337%0.36613%0.132SC..THydrogen-bonded Turntrans-82.611.1175.7-7277000113.1L63 Y121 I122 H123 F127L63-H125 HydrophobicContact CD2-CB 3.9Å; Y121-H125 AromaticContact CD1-ND1 3.95Å; Y121-H125 AromaticContact CD2-CE1 3.72Å; Y121-H125 AromaticContact CD2-ND1 3.98Å; Y121-H125 AromaticContact CE1-CE1 3.84Å; Y121-H125 AromaticContact CE1-ND1 3.75Å; Y121-H125 AromaticContact CE2-CE1 3.19Å; Y121-H125 WeakPolarHBondContact CE2-CE1 3.38Å; Y121-H125 AromaticContact CE2-ND1 3.8Å; Y121-H125 AromaticContact CZ-CE1 3.26Å; Y121-H125 AromaticContact CZ-ND1 3.67Å; Y121-H125 AromaticContact CZ-NE2 3.82Å; Y121-H125 PolarHBondContact O-N 2.97Å; Y121-H125 VanDerWaalsContact O-N 3.14Å; Y121-H125 PolarHBondContact O-ND1 3.28Å; I122-H125 CarbonylContact O-C 3.6Å; I122-H125 PolarHBondContact O-N 3.28Å; I122-H125 VanDerWaalsContact O-N 3.11Å; H123-H125 VanDerWaalsContact C-N 3.26Å; H123-H125 PolarHBondContact O-N 2.97Å; H125-F127 HydrophobicContact CB-CD2 4.27Å; H125-F127 VanDerWaalsContact O-CD2 3.26Å; H125-F127 WeakPolarHBondContact O-CD2 3.26Å; H125-F127 WeakPolarHBondContact O-CE2 3.4Å
126G90.3Very high94.8Very high23 Ų2328.9 Ų28.924%0.23714%0.135CC..THydrogen-bonded Turntrans75.226.117500000112.9I122 H123 K124 E155 V156I122-G126 PolarHBondContact O-N 3.4Å; H123-G126 PolarHBondContact O-N 2.99Å; K124-G126 PolarHBondContact O-N 3.33Å; G126-E155 CarbonylContact O-C 3.59Å; G126-E155 WeakPolarHBondContact O-CA 3.41Å; G126-V156 PolarHBondContact O-N 2.97Å
127F90.8Very high94.7Very high10 Ų1028.9 Ų28.94%0.04414%0.135CC..EExtended strand (participates in β ladder)trans-118.9157.4171.8-65-84.3000111.4K62 I122 H123 H125 R154 E155K62-F127 HydrophobicContact CB-CE2 4.5Å; K62-F127 HydrophobicContact CD-CE2 4.04Å; K62-F127 HydrophobicContact CD-CZ 4.16Å; I122-F127 CarbonylContact C-O 3.54Å; I122-F127 HydrophobicContact CG2-CB 3.75Å; I122-F127 PolarHBondContact O-N 2.84Å; I122-F127 VanDerWaalsContact O-N 3.11Å; H123-F127 WeakPolarHBondContact CA-O 3.19Å; H123-F127 PolarHBondContact CD2-O 3.12Å; H123-F127 VanDerWaalsContact CD2-O 3.25Å; H123-F127 PolarHBondContact N-O 2.91Å; H125-F127 HydrophobicContact CB-CD2 4.27Å; H125-F127 VanDerWaalsContact O-CD2 3.26Å; H125-F127 WeakPolarHBondContact O-CD2 3.26Å; H125-F127 WeakPolarHBondContact O-CE2 3.4Å; F127-R154 CarbonylContact C-O 3.39Å; F127-R154 WeakPolarHBondContact CA-O 3.34Å; F127-E155 HydrophobicContact CD1-CG 3.92Å; F127-E155 HydrophobicContact CE1-CG 3.47Å; F127-E155 VanDerWaalsContact CE1-CG 3.47Å; F127-E155 HydrophobicContact CZ-CG 4.08Å
128F92.3Very high94.7Very high0 Ų026.3 Ų26.30%013%0.128CC..EExtended strand (participates in β ladder)trans-135.6147.3165.261-74.7000109.3R130 A153 R154 E155 V156 Y162 Y183 I187 D188F128-R130 HydrophobicContact CD2-CG 3.34Å; F128-R130 VanDerWaalsContact CE2-CD 3.45Å; F128-R130 HydrophobicContact CE2-CG 3.35Å; F128-R130 HydrophobicContact CG-CG 4.32Å; F128-R130 HydrophobicContact CZ-CG 4.33Å; F128-A153 WeakPolarHBondContact O-CA 3.46Å; F128-R154 HydrophobicContact CD1-CB 4.38Å; F128-R154 VanDerWaalsContact CD1-O 3.28Å; F128-R154 WeakPolarHBondContact CD1-O 3.25Å; F128-R154 HydrophobicContact CE1-CB 3.77Å; F128-R154 HydrophobicContact CZ-CB 3.86Å; F128-R154 PolarHBondContact N-O 3.29Å; F128-R154 PolarHBondContact O-N 3.18Å; F128-E155 WeakPolarHBondContact CE1-O 3.44Å; F128-V156 HydrophobicContact CB-CG2 4.33Å; F128-V156 HydrophobicContact CD1-CB 4.3Å; F128-V156 HydrophobicContact CD1-CG2 3.72Å; F128-V156 HydrophobicContact CG-CG2 4.47Å; F128-Y162 HydrophobicContact CZ-CE2 4.38Å; F128-Y183 AromaticContact CE2-CD2 3.97Å; F128-Y183 HydrophobicContact CE2-CD2 3.97Å; F128-Y183 HydrophobicContact CE2-CE2 4Å; F128-I187 HydrophobicContact CD2-CD1 4.16Å; F128-I187 HydrophobicContact CE2-CD1 4.2Å; F128-D188 WeakPolarHBondContact CB-OD2 3.46Å
129H92.4Very high94.6Very high0 Ų026.3 Ų26.30%013%0.128CC..  trans-76.8-45.8-160.7-168.8-92.8000112.5L119 D131 M132 A148 D149 F150 A153 D188L119-H129 HydrophobicContact CD2-CB 4.2Å; H129-D131 PolarHBondContact CE1-O 3.04Å; H129-D131 PolarHBondContact ND1-N 3.48Å; H129-D131 PolarHBondContact ND1-O 3.09Å; H129-D131 PolarHBondContact O-N 2.92Å; H129-D131 VanDerWaalsContact O-N 3.16Å; H129-M132 HydrophobicContact CB-CG 3.99Å; H129-M132 HydrophobicContact CB-SD 3.94Å; H129-M132 VanDerWaalsContact CG-SD 3.57Å; H129-M132 PolarHBondContact ND1-N 3.22Å; H129-M132 PolarHBondContact ND1-SD 3.1Å; H129-A148 PolarHBondContact CE1-O 3.39Å; H129-A148 PolarHBondContact NE2-O 3.12Å; H129-D149 PolarHBondContact CE1-O 2.89Å; H129-D149 PolarHBondContact NE2-O 3.01Å; H129-F150 AromaticContact CD2-CD1 3.91Å; H129-F150 AromaticContact CD2-CE1 3.78Å; H129-A153 WeakPolarHBondContact O-CA 3.44Å; H129-A153 PolarHBondContact O-N 2.94Å; H129-D188 PolarHBondContact N-OD1 3.4Å; H129-D188 PolarHBondContact N-OD2 3.17Å
130R91.8Very high94.4Very high4 Ų429.8 Ų29.82%0.01515%0.146CC..SBendtrans64.74.2179.5-50.6178.855.1-135.85.1116F128 L152 R154 T163 Y165 Y183 I187 D188F128-R130 HydrophobicContact CD2-CG 3.34Å; F128-R130 VanDerWaalsContact CE2-CD 3.45Å; F128-R130 HydrophobicContact CE2-CG 3.35Å; F128-R130 HydrophobicContact CG-CG 4.32Å; F128-R130 HydrophobicContact CZ-CG 4.33Å; R130-L152 HydrophobicContact CB-CB 4.5Å; R130-L152 VanDerWaalsContact CD-O 3.32Å; R130-L152 WeakPolarHBondContact CD-O 3.25Å; R130-L152 PolarHBondContact NH1-O 3.35Å; R130-R154 VanDerWaalsContact NH1-NE 3.19Å; R130-T163 PolarHBondContact NH2-O 2.89Å; R130-Y165 WeakPolarHBondContact O-CE2 3.34Å; R130-Y165 PolarHBondContact O-OH 3.38Å; R130-Y183 PolarHBondContact NH2-OH 3.34Å; R130-I187 HydrophobicContact CB-CD1 4.22Å; R130-I187 HydrophobicContact CG-CD1 3.96Å; R130-D188 PolarHBondContact N-OD1 3.05Å
131D91.3Very high94.2Very high7 Ų729 Ų294%0.03714%0.14CC..  trans-147.346.2173.2-161.432.9000112.4H129 K133 N136 L152 S167H129-D131 PolarHBondContact CE1-O 3.04Å; H129-D131 PolarHBondContact ND1-N 3.48Å; H129-D131 PolarHBondContact ND1-O 3.09Å; H129-D131 PolarHBondContact O-N 2.92Å; H129-D131 VanDerWaalsContact O-N 3.16Å; D131-K133 PolarHBondContact O-N 3.03Å; D131-K133 WeakPolarHBondContact OD2-CE 3.39Å; D131-K133 IonicContact OD2-NZ 2.79Å; D131-K133 PolarHBondContact OD2-NZ 3.22Å; D131-N136 PolarHBondContact O-ND2 2.89Å; D131-N136 PolarHBondContact OD2-ND2 3.45Å; D131-L152 HydrophobicContact CB-CB 4.35Å; D131-L152 HydrophobicContact CB-CD1 3.88Å; D131-S167 WeakPolarHBondContact OD1-CB 3.45Å; D131-S167 PolarHBondContact OD1-OG 2.7Å; D131-S167 PolarHBondContact OD2-OG 2.75Å; D131-S167 VanDerWaalsContact OD2-OG 3.13Å
132M96.1Very high94Very high1 Ų126.9 Ų26.91%0.00513%0.133CC..  trans-71121175-71-56-58.600109.5I115 L119 H129 V137 I147 Y171 D188 A191 I195I115-M132 HydrophobicContact CG2-CE 3.6Å; L119-M132 HydrophobicContact CD2-CG 4.2Å; L119-M132 HydrophobicContact CD2-SD 3.96Å; H129-M132 HydrophobicContact CB-CG 3.99Å; H129-M132 HydrophobicContact CB-SD 3.94Å; H129-M132 VanDerWaalsContact CG-SD 3.57Å; H129-M132 PolarHBondContact ND1-N 3.22Å; H129-M132 PolarHBondContact ND1-SD 3.1Å; M132-V137 HydrophobicContact CE-CG2 3.84Å; M132-I147 HydrophobicContact CE-CD1 4.25Å; M132-I147 HydrophobicContact CE-CG1 4.14Å; M132-I147 HydrophobicContact CE-CG2 4.38Å; M132-I147 HydrophobicContact SD-CD1 4.37Å; M132-I147 HydrophobicContact SD-CG1 4.48Å; M132-I147 HydrophobicContact SD-CG2 3.78Å; M132-Y171 VanDerWaalsContact O-CB 3.31Å; M132-Y171 WeakPolarHBondContact O-CB 3.46Å; M132-D188 HydrophobicContact CG-CB 4.18Å; M132-A191 HydrophobicContact CB-CB 3.54Å; M132-I195 HydrophobicContact CB-CD1 4.39Å; M132-I195 HydrophobicContact CE-CD1 4.48Å
133K94.8Very high93.9Very high27 Ų2729.1 Ų29.112%0.11714%0.143CC..  trans-159160.5175.759-175.6175-170.80109.4D131 E135 N136 V137 S167 Y171D131-K133 PolarHBondContact O-N 3.03Å; D131-K133 WeakPolarHBondContact OD2-CE 3.39Å; D131-K133 IonicContact OD2-NZ 2.79Å; D131-K133 PolarHBondContact OD2-NZ 3.22Å; K133-E135 WeakPolarHBondContact CB-OE2 3.48Å; K133-E135 WeakPolarHBondContact CD-OE2 3.35Å; K133-E135 HydrophobicContact CG-CB 4.43Å; K133-E135 VanDerWaalsContact CG-OE2 3.32Å; K133-E135 WeakPolarHBondContact CG-OE2 3.18Å; K133-E135 PolarHBondContact O-N 2.79Å; K133-E135 VanDerWaalsContact O-N 3.15Å; K133-N136 VanDerWaalsContact CE-ND2 3.32Å; K133-N136 WeakPolarHBondContact CE-ND2 3.49Å; K133-N136 HydrophobicContact CG-CB 4.06Å; K133-N136 PolarHBondContact O-N 3.29Å; K133-V137 PolarHBondContact O-N 3.48Å; K133-S167 PolarHBondContact NZ-OG 3.06Å; K133-Y171 HydrophobicContact CB-CD2 3.48Å; K133-Y171 VanDerWaalsContact CB-CD2 3.48Å; K133-Y171 HydrophobicContact CB-CE2 3.65Å; K133-Y171 HydrophobicContact CB-CG 4.07Å
134P95.7Very high93.9Very high4 Ų429.8 Ų29.83%0.02615%0.146CC..G310 helixtrans-56.7-30.4-176.7-27.337.3000114.4L92 Y93 N136 V137 Y171 I195L92-P134 HydrophobicContact CB-CB 4.24Å; L92-P134 WeakPolarHBondContact CB-O 3.33Å; L92-P134 HydrophobicContact CG-CB 4.48Å; L92-P134 PolarHBondContact N-O 3.49Å; L92-P134 VanDerWaalsContact N-O 3.13Å; Y93-P134 PolarHBondContact N-O 3.38Å; P134-N136 VanDerWaalsContact C-N 3.31Å; P134-N136 PolarHBondContact O-N 3.44Å; P134-V137 PolarHBondContact O-N 3.15Å; P134-Y171 VanDerWaalsContact CD-OH 3.25Å; P134-Y171 WeakPolarHBondContact CD-OH 3.06Å; P134-Y171 HydrophobicContact CG-CE1 4.07Å; P134-Y171 WeakPolarHBondContact CG-OH 3.33Å; P134-I195 HydrophobicContact CG-CG1 4.14Å
135E92.7Very high94Very high64 Ų6421.1 Ų21.130%0.29911%0.109SC..G310 helixtrans-68.6-28.9176.8-56.493.5143.100112.9N91 Y93 K133 V137N91-E135 WeakPolarHBondContact CB-O 3.27Å; Y93-E135 HydrophobicContact CG-CG 4.38Å; K133-E135 WeakPolarHBondContact CB-OE2 3.48Å; K133-E135 WeakPolarHBondContact CD-OE2 3.35Å; K133-E135 HydrophobicContact CG-CB 4.43Å; K133-E135 VanDerWaalsContact CG-OE2 3.32Å; K133-E135 WeakPolarHBondContact CG-OE2 3.18Å; K133-E135 PolarHBondContact O-N 2.79Å; K133-E135 VanDerWaalsContact O-N 3.15Å; E135-V137 VanDerWaalsContact C-N 3.32Å
136N94.6Very high94.2Very high14 Ų1418.4 Ų18.48%0.07510%0.096CC..G310 helixtrans-926.4178.9-72.5-3.5000112.8D131 K133 P134 A148D131-N136 PolarHBondContact O-ND2 2.89Å; D131-N136 PolarHBondContact OD2-ND2 3.45Å; K133-N136 VanDerWaalsContact CE-ND2 3.32Å; K133-N136 WeakPolarHBondContact CE-ND2 3.49Å; K133-N136 HydrophobicContact CG-CB 4.06Å; K133-N136 PolarHBondContact O-N 3.29Å; P134-N136 VanDerWaalsContact C-N 3.31Å; P134-N136 PolarHBondContact O-N 3.44Å; N136-A148 PolarHBondContact O-N 3.41Å
137V97.1Very high94.6Very high0 Ų017.4 Ų17.40%09%0.085CC..EExtended strand (participates in β ladder)trans-110.8102.5175.11780000108.2N91 L92 I115 M132 K133 P134 E135 V145N91-V137 CarbonylContact C-O 3.34Å; N91-V137 VanDerWaalsContact CA-O 3.29Å; N91-V137 WeakPolarHBondContact CA-O 3.27Å; L92-V137 HydrophobicContact CB-CB 3.92Å; L92-V137 HydrophobicContact CB-CG1 3.98Å; L92-V137 HydrophobicContact CD2-CB 4.22Å; L92-V137 HydrophobicContact CD2-CG1 3.96Å; L92-V137 PolarHBondContact N-O 3.08Å; I115-V137 HydrophobicContact CD1-CG1 3.96Å; I115-V137 HydrophobicContact CD1-CG2 4.29Å; I115-V137 HydrophobicContact CG1-CG1 3.98Å; I115-V137 HydrophobicContact CG1-CG2 4.47Å; M132-V137 HydrophobicContact CE-CG2 3.84Å; K133-V137 PolarHBondContact O-N 3.48Å; P134-V137 PolarHBondContact O-N 3.15Å; E135-V137 VanDerWaalsContact C-N 3.32Å; V137-V145 HydrophobicContact CG1-CG1 3.16Å
138L97.2Very high94.6Very high39 Ų3917.3 Ų17.320%0.2049%0.086CC..EExtended strand (participates in β ladder)trans-87146.5-176.5-54.2-177000112V69 M88 N91 V145 K146 A148V69-L138 HydrophobicContact CG2-CD1 4.15Å; M88-L138 HydrophobicContact CB-CB 3.66Å; M88-L138 HydrophobicContact CB-CD1 4.02Å; M88-L138 HydrophobicContact CB-CG 4.4Å; M88-L138 HydrophobicContact CE-CB 4.17Å; M88-L138 HydrophobicContact CG-CB 3.69Å; M88-L138 HydrophobicContact CG-CD1 3.85Å; M88-L138 HydrophobicContact CG-CG 4.43Å; N91-L138 HydrophobicContact CB-CD2 4.03Å; L138-V145 CarbonylContact O-C 3.58Å; L138-V145 WeakPolarHBondContact O-CA 3.44Å; L138-K146 PolarHBondContact N-O 3.09Å; L138-K146 PolarHBondContact O-N 2.97Å; L138-A148 HydrophobicContact CD1-CB 3.47Å; L138-A148 VanDerWaalsContact CD1-CB 3.47Å; L138-A148 HydrophobicContact CD2-CB 4.4Å; L138-A148 HydrophobicContact CG-CB 3.58Å
139C96.6Very high94.2Very high0 Ų020 Ų200%010%0.101CC..EExtended strand (participates in β ladder)trans-136.4138.8-171.1-53.10000111.2K89 E90 M95 G141 Q144K89-C139 PolarHBondContact N-O 2.97Å; K89-C139 VanDerWaalsContact N-O 3.15Å; E90-C139 HydrophobicContact CG-CB 4.47Å; E90-C139 PolarHBondContact N-O 2.86Å; E90-C139 PolarHBondContact O-N 3.42Å; M95-C139 HydrophobicContact CE-CB 4.23Å; M95-C139 HydrophobicContact SD-CB 4.2Å; C139-G141 VanDerWaalsContact C-N 3.3Å; C139-Q144 WeakPolarHBondContact CA-O 3.22Å
140L95Very high93.4Very high73 Ų7320.2 Ų20.238%0.38210%0.101SC..EExtended strand (participates in β ladder)trans-90.3-7.9155.2-65.8172.5000111.5M88 K89 Q144M88-L140 HydrophobicContact CE-CG 4Å; M88-L140 HydrophobicContact SD-CD1 4.47Å; M88-L140 HydrophobicContact SD-CD2 4.45Å; M88-L140 HydrophobicContact SD-CG 4.08Å; K89-L140 HydrophobicContact CB-CD2 4.06Å; L140-Q144 HydrophobicContact CB-CB 4.29Å; L140-Q144 HydrophobicContact CD1-CG 4.2Å; L140-Q144 PolarHBondContact N-O 3.37Å
141G93.5Very high92.3Very high0 Ų021.2 Ų21.20%011%0.113CC..EExtended strand (participates in β ladder)trans149.5179.8-173.800000108.1C139 E143 Q144C139-G141 VanDerWaalsContact C-N 3.3Å; G141-E143 WeakPolarHBondContact CA-OE2 3.45Å; G141-E143 PolarHBondContact O-N 3.42Å; G141-E143 VanDerWaalsContact O-N 3.12Å; G141-Q144 CarbonylContact O-C 3.58Å; G141-Q144 PolarHBondContact O-N 3.48Å; G141-Q144 VanDerWaalsContact O-N 3.16Å
142P93.1Very high91.1Very high6 Ų622.3 Ų22.34%0.03912%0.119CC..THydrogen-bonded Turntrans-60.7-22.9179-20.731.8000113.9M95 F103 I107 M111 Q114 Q144M95-P142 HydrophobicContact CE-CG 4.45Å; M95-P142 HydrophobicContact SD-CG 4.17Å; F103-P142 HydrophobicContact CE1-CG 4.05Å; I107-P142 HydrophobicContact CG2-CB 3.4Å; I107-P142 HydrophobicContact CG2-CG 3.81Å; M111-P142 HydrophobicContact CG-CB 3.96Å; M111-P142 HydrophobicContact SD-CB 3.91Å; M111-P142 HydrophobicContact SD-CG 4.4Å; Q114-P142 PolarHBondContact NE2-O 3.04Å; P142-Q144 VanDerWaalsContact C-N 3.29Å; P142-Q144 PolarHBondContact O-N 2.93Å
143E92.4Very high89.5Confident46 Ų4622.5 Ų22.522%0.21512%0.12CC..THydrogen-bonded Turntrans-68.7-23178.668.5-81.4-165.600114.2Q114 G141 I297 R304Q114-E143 PolarHBondContact OE1-O 3.32Å; G141-E143 WeakPolarHBondContact CA-OE2 3.45Å; G141-E143 PolarHBondContact O-N 3.42Å; G141-E143 VanDerWaalsContact O-N 3.12Å; E143-I297 HydrophobicContact CB-CG2 4.18Å; E143-R304 IonicContact OE1-NH1 2.59Å; E143-R304 PolarHBondContact OE1-NH1 2.86Å; E143-R304 IonicContact OE2-CZ 3.28Å; E143-R304 IonicContact OE2-NH1 2.69Å; E143-R304 PolarHBondContact OE2-NH1 3.43Å; E143-R304 IonicContact OE2-NH2 3.81Å
144Q95.6Very high88.3Confident46 Ų4622.7 Ų22.722%0.21512%0.121CC..EExtended strand (participates in β ladder)trans-147.4101.9-174.9-176.163.650.700110.1V66 C139 L140 G141 P142 K146V66-Q144 PolarHBondContact O-NE2 3.29Å; C139-Q144 WeakPolarHBondContact CA-O 3.22Å; L140-Q144 HydrophobicContact CB-CB 4.29Å; L140-Q144 HydrophobicContact CD1-CG 4.2Å; L140-Q144 PolarHBondContact N-O 3.37Å; G141-Q144 CarbonylContact O-C 3.58Å; G141-Q144 PolarHBondContact O-N 3.48Å; G141-Q144 VanDerWaalsContact O-N 3.16Å; P142-Q144 VanDerWaalsContact C-N 3.29Å; P142-Q144 PolarHBondContact O-N 2.93Å; Q144-K146 VanDerWaalsContact NE2-CE 3.34Å
145V97.6Very high87Confident1 Ų127 Ų271%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-114.5137.6179.2177.30000109.8N67 M111 Q114 I115 V137 L138N67-V145 WeakPolarHBondContact CA-O 3.15Å; N67-V145 PolarHBondContact ND2-O 3.16Å; M111-V145 HydrophobicContact CB-CG2 4.22Å; M111-V145 HydrophobicContact CG-CG2 3.97Å; Q114-V145 HydrophobicContact CB-CB 4.05Å; I115-V145 HydrophobicContact CG1-CG1 3.87Å; V137-V145 HydrophobicContact CG1-CG1 3.16Å; L138-V145 CarbonylContact O-C 3.58Å; L138-V145 WeakPolarHBondContact O-CA 3.44Å
146K97.9Very high85.9Confident22 Ų2226.1 Ų26.110%0.09614%0.139CC..EExtended strand (participates in β ladder)trans-136.7136.4-179.8-60.3-165.5176.6-147.30111.7V66 N67 E86 M88 L138 Q144V66-K146 WeakPolarHBondContact O-CE 3.31Å; V66-K146 WeakPolarHBondContact O-CG 3.42Å; N67-K146 WeakPolarHBondContact O-CA 3.34Å; E86-K146 WeakPolarHBondContact OE1-CD 3.34Å; E86-K146 IonicContact OE1-NZ 2.65Å; E86-K146 PolarHBondContact OE1-NZ 3.34Å; E86-K146 WeakPolarHBondContact OE2-CE 3.44Å; E86-K146 IonicContact OE2-NZ 3.72Å; E86-K146 PolarHBondContact OE2-NZ 2.86Å; M88-K146 HydrophobicContact CE-CB 4.07Å; M88-K146 HydrophobicContact CE-CD 4Å; M88-K146 HydrophobicContact CE-CG 3.77Å; M88-K146 HydrophobicContact SD-CD 3.9Å; M88-K146 HydrophobicContact SD-CG 4.35Å; L138-K146 PolarHBondContact N-O 3.09Å; L138-K146 PolarHBondContact O-N 2.97Å; Q144-K146 VanDerWaalsContact NE2-CE 3.34Å
147I97.4Very high84.7Confident1 Ų136.4 Ų36.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-75.2136.1172.9-58.3172.4000109.4N67 V69 I115 L119 I122 M132 F150N67-I147 PolarHBondContact O-N 2.9Å; V69-I147 WeakPolarHBondContact CG1-O 3.31Å; V69-I147 PolarHBondContact N-O 3.45Å; I115-I147 HydrophobicContact CG2-CD1 4.35Å; I115-I147 HydrophobicContact CG2-CG1 4.49Å; L119-I147 HydrophobicContact CB-CD1 4.49Å; L119-I147 HydrophobicContact CD2-CD1 3.87Å; L119-I147 HydrophobicContact CG-CD1 3.73Å; I122-I147 HydrophobicContact CD1-CB 4.4Å; I122-I147 HydrophobicContact CD1-CD1 3.8Å; I122-I147 HydrophobicContact CD1-CG2 4.18Å; M132-I147 HydrophobicContact CE-CD1 4.25Å; M132-I147 HydrophobicContact CE-CG1 4.14Å; M132-I147 HydrophobicContact CE-CG2 4.38Å; M132-I147 HydrophobicContact SD-CD1 4.37Å; M132-I147 HydrophobicContact SD-CG1 4.48Å; M132-I147 HydrophobicContact SD-CG2 3.78Å; I147-F150 HydrophobicContact CG2-CE2 4.43Å; I147-F150 HydrophobicContact CG2-CZ 4.04Å
148A92.4Very high83.3Confident9 Ų937.9 Ų37.97%0.07419%0.187CC..  trans-135.7174.617900000112.2V69 H129 N136 L138V69-A148 HydrophobicContact CB-CB 4.11Å; V69-A148 HydrophobicContact CG1-CB 3.75Å; H129-A148 PolarHBondContact CE1-O 3.39Å; H129-A148 PolarHBondContact NE2-O 3.12Å; N136-A148 PolarHBondContact O-N 3.41Å; L138-A148 HydrophobicContact CD1-CB 3.47Å; L138-A148 VanDerWaalsContact CD1-CB 3.47Å; L138-A148 HydrophobicContact CD2-CB 4.4Å; L138-A148 HydrophobicContact CG-CB 3.58Å
149D83.2Confident81.8Confident57 Ų5743.2 Ų43.231%0.30522%0.215SC..  trans61.372.6179.8-157.314.2000115.9K39 H129 G151K39-D149 IonicContact NZ-OD1 3.26Å; K39-D149 PolarHBondContact NZ-OD1 3.27Å; H129-D149 PolarHBondContact CE1-O 2.89Å; H129-D149 PolarHBondContact NE2-O 3.01Å; D149-G151 PolarHBondContact O-N 3.32Å
150F75.6Confident80.4Confident3 Ų345.1 Ų45.11%0.01323%0.227CC..G310 helixtrans-82.915.8177.8-66.9-98.7000113.2L60 L63 V68 V69 I122 H129 I147 L152 A153L60-F150 HydrophobicContact CD2-CB 4.46Å; L60-F150 HydrophobicContact CD2-CD2 3.52Å; L60-F150 HydrophobicContact CD2-CE2 3.99Å; L60-F150 HydrophobicContact CD2-CG 4.09Å; L60-F150 HydrophobicContact CG-CB 4.42Å; L60-F150 HydrophobicContact CG-CD2 4.36Å; L63-F150 HydrophobicContact CD1-CD1 3.97Å; L63-F150 HydrophobicContact CD1-CE1 3.59Å; L63-F150 HydrophobicContact CD1-CZ 4.12Å; V68-F150 HydrophobicContact CG1-CE2 3.83Å; V68-F150 HydrophobicContact CG1-CZ 3.57Å; V69-F150 HydrophobicContact CG1-CE2 4.39Å; I122-F150 HydrophobicContact CD1-CE1 3.64Å; I122-F150 HydrophobicContact CD1-CZ 3.7Å; I122-F150 HydrophobicContact CG1-CE1 3.99Å; I122-F150 HydrophobicContact CG1-CZ 4.26Å; I122-F150 HydrophobicContact CG2-CE1 4.32Å; H129-F150 AromaticContact CD2-CD1 3.91Å; H129-F150 AromaticContact CD2-CE1 3.78Å; I147-F150 HydrophobicContact CG2-CE2 4.43Å; I147-F150 HydrophobicContact CG2-CZ 4.04Å; F150-L152 PolarHBondContact O-N 3.46Å; F150-L152 VanDerWaalsContact O-N 3.13Å; F150-A153 HydrophobicContact CB-CB 3.94Å; F150-A153 HydrophobicContact CD1-CB 3.9Å; F150-A153 HydrophobicContact CG-CB 4.43Å; F150-A153 WeakPolarHBondContact O-CB 3.33Å; F150-A153 PolarHBondContact O-N 3.35Å
151G68.6Low78.9Confident26 Ų2645.9 Ų45.927%0.26824%0.236SC..G310 helixtrans-58.7-26-178.900000113.6D149D149-G151 PolarHBondContact O-N 3.32Å
152L67Low77.6Confident30 Ų3047.2 Ų47.216%0.15724%0.241CC..G310 helixtrans-104.4-3.2177.4-64.8179.1000114.3R130 D131 F150R130-L152 HydrophobicContact CB-CB 4.5Å; R130-L152 VanDerWaalsContact CD-O 3.32Å; R130-L152 WeakPolarHBondContact CD-O 3.25Å; R130-L152 PolarHBondContact NH1-O 3.35Å; D131-L152 HydrophobicContact CB-CB 4.35Å; D131-L152 HydrophobicContact CB-CD1 3.88Å; F150-L152 PolarHBondContact O-N 3.46Å; F150-L152 VanDerWaalsContact O-N 3.13Å
153A61.7Low76.1Confident4 Ų450.2 Ų50.23%0.03326%0.259CS..  trans-60.8146.7-176.400000112.2F128 H129 F150F128-A153 WeakPolarHBondContact O-CA 3.46Å; H129-A153 WeakPolarHBondContact O-CA 3.44Å; H129-A153 PolarHBondContact O-N 2.94Å; F150-A153 HydrophobicContact CB-CB 3.94Å; F150-A153 HydrophobicContact CD1-CB 3.9Å; F150-A153 HydrophobicContact CG-CB 4.43Å; F150-A153 WeakPolarHBondContact O-CB 3.33Å; F150-A153 PolarHBondContact O-N 3.35Å
154R69.7Low74.2Confident32 Ų3254.9 Ų54.912%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-135.2153.7179.6-77.9-168174.1-122.2-2.8112F127 F128 R130 Y162 T163F127-R154 CarbonylContact C-O 3.39Å; F127-R154 WeakPolarHBondContact CA-O 3.34Å; F128-R154 HydrophobicContact CD1-CB 4.38Å; F128-R154 VanDerWaalsContact CD1-O 3.28Å; F128-R154 WeakPolarHBondContact CD1-O 3.25Å; F128-R154 HydrophobicContact CE1-CB 3.77Å; F128-R154 HydrophobicContact CZ-CB 3.86Å; F128-R154 PolarHBondContact N-O 3.29Å; F128-R154 PolarHBondContact O-N 3.18Å; R130-R154 VanDerWaalsContact NH1-NE 3.19Å; R154-Y162 VanDerWaalsContact NH1-CD1 3.29Å; R154-T163 PolarHBondContact NH2-OG1 2.94Å
155E68.6Low72.2Confident95 Ų9554 Ų5444%0.44428%0.281SS..EExtended strand (participates in β ladder)trans-68.2131.4170.4-66.9-179.4-167.200109.8G126 F127 F128 R157 S158G126-E155 CarbonylContact O-C 3.59Å; G126-E155 WeakPolarHBondContact O-CA 3.41Å; F127-E155 HydrophobicContact CD1-CG 3.92Å; F127-E155 HydrophobicContact CE1-CG 3.47Å; F127-E155 VanDerWaalsContact CE1-CG 3.47Å; F127-E155 HydrophobicContact CZ-CG 4.08Å; F128-E155 WeakPolarHBondContact CE1-O 3.44Å; E155-R157 PolarHBondContact O-N 3.26Å; E155-S158 VanDerWaalsContact O-CB 3.24Å; E155-S158 WeakPolarHBondContact O-CB 3.26Å; E155-S158 PolarHBondContact O-N 3.39Å; E155-S158 PolarHBondContact O-OG 3.06Å
156V69Low70.2Confident45 Ų4559.1 Ų59.127%0.27331%0.312SS..THydrogen-bonded Turntrans-56.4-32.6177.9173.60000111.3G126 F128 S158G126-V156 PolarHBondContact O-N 2.97Å; F128-V156 HydrophobicContact CB-CG2 4.33Å; F128-V156 HydrophobicContact CD1-CB 4.3Å; F128-V156 HydrophobicContact CD1-CG2 3.72Å; F128-V156 HydrophobicContact CG-CG2 4.47Å; V156-S158 VanDerWaalsContact C-N 3.35Å
157R70.7Confident68.5Low229 Ų22959.3 Ų59.386%0.86432%0.316SS*.THydrogen-bonded Turntrans-88.92.3178.2-60.6-178-177.4166.1-0.4113.5E155 I159E155-R157 PolarHBondContact O-N 3.26Å; R157-I159 PolarHBondContact O-N 2.84Å
158S67.5Low67.6Low31 Ų3161.5 Ų61.522%0.21733%0.329CS..PPolyproline II helixtrans-66.8136.1177.664.40000110.4E155 V156 P160E155-S158 VanDerWaalsContact O-CB 3.24Å; E155-S158 WeakPolarHBondContact O-CB 3.26Å; E155-S158 PolarHBondContact O-N 3.39Å; E155-S158 PolarHBondContact O-OG 3.06Å; V156-S158 VanDerWaalsContact C-N 3.35Å; S158-P160 WeakPolarHBondContact O-CD 3.35Å
159I64.1Low67.6Low152 Ų15264.9 Ų64.978%0.77934%0.34SS*.PPolyproline II helixtrans-77.5129.5-178.9-51.9173.2000108.3R157R157-I159 PolarHBondContact O-N 2.84Å
160P67.7Low68.2Low39 Ų3966.3 Ų66.325%0.25334%0.341SS..SBendtrans-53.2157.5167.3-29.437.7000113.4S158 Y162 R181 N182S158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-Y162 HydrophobicContact CB-CE1 4.48Å; P160-Y162 HydrophobicContact CG-CE1 4.03Å; P160-Y162 HydrophobicContact CG-CE2 4.17Å; P160-R181 HydrophobicContact CB-CB 4.49Å; P160-R181 VanDerWaalsContact CB-O 3.28Å; P160-R181 WeakPolarHBondContact CB-O 3.46Å; P160-R181 WeakPolarHBondContact CG-O 3.49Å; P160-N182 WeakPolarHBondContact CG-OD1 3.44Å
161P63.2Low69.2Low89 Ų8966.4 Ų66.458%0.57834%0.342SS*.PPolyproline II helixcis-83.2149.38.532.2-34.7000113.5
162Y67.6Low70.5Confident28 Ų2866 Ų6611%0.1133%0.332CS..PPolyproline II helixtrans-89.7154.7173.8-48.8-46000111.4F128 R154 P160 R181 Y183F128-Y162 HydrophobicContact CZ-CE2 4.38Å; R154-Y162 VanDerWaalsContact NH1-CD1 3.29Å; P160-Y162 HydrophobicContact CB-CE1 4.48Å; P160-Y162 HydrophobicContact CG-CE1 4.03Å; P160-Y162 HydrophobicContact CG-CE2 4.17Å; Y162-R181 WeakPolarHBondContact CD2-O 3.37Å; Y162-R181 WeakPolarHBondContact CE2-O 3.47Å; Y162-Y183 WeakPolarHBondContact CB-OH 3.38Å; Y162-Y183 AromaticContact CD2-CD1 4Å; Y162-Y183 HydrophobicContact CD2-CD1 4Å; Y162-Y183 AromaticContact CD2-CD2 3.79Å; Y162-Y183 HydrophobicContact CD2-CD2 3.79Å; Y162-Y183 AromaticContact CD2-CE1 3.62Å; Y162-Y183 HydrophobicContact CD2-CE1 3.62Å; Y162-Y183 AromaticContact CD2-CE2 3.37Å; Y162-Y183 HydrophobicContact CD2-CE2 3.37Å; Y162-Y183 HydrophobicContact CD2-CG 4.09Å; Y162-Y183 AromaticContact CD2-CZ 3.3Å; Y162-Y183 HydrophobicContact CE2-CD1 4.26Å; Y162-Y183 AromaticContact CE2-CD2 3.71Å; Y162-Y183 HydrophobicContact CE2-CD2 3.71Å; Y162-Y183 HydrophobicContact CE2-CE1 4.32Å; Y162-Y183 AromaticContact CE2-CE2 3.77Å; Y162-Y183 HydrophobicContact CE2-CE2 3.77Å; Y162-Y183 AromaticContact CE2-CG 3.98Å; Y162-Y183 HydrophobicContact CE2-CG 3.98Å; Y162-Y183 WeakPolarHBondContact CE2-O 3.46Å; Y162-Y183 HydrophobicContact CG-CE2 4.24Å; Y162-Y183 PolarHBondContact OH-O 3.37Å
163T61Low71.9Confident69 Ų6964.6 Ų64.642%0.42333%0.325SS..PPolyproline II helixtrans-62.6141.8173.531.90000109.6R130 R154R130-T163 PolarHBondContact NH2-O 2.89Å; R154-T163 PolarHBondContact NH2-OG1 2.94Å
164D52.6Low73.6Confident144 Ų14464.5 Ų64.577%0.7732%0.324SS*.PPolyproline II helixtrans-50.4141.2177.4-65.4-33.7000111.4V166D164-V166 PolarHBondContact O-N 2.9Å
165Y52.3Low74.9Confident28 Ų2863.2 Ų63.211%0.1132%0.319CS..  trans-79.3113.7-174.8-161.7-67.8000109.5R130 R172 V176R130-Y165 WeakPolarHBondContact O-CE2 3.34Å; R130-Y165 PolarHBondContact O-OH 3.38Å; Y165-R172 HydrophobicContact CD1-CG 4.06Å; Y165-R172 HydrophobicContact CE1-CG 3.66Å; Y165-R172 HydrophobicContact CE2-CG 4.32Å; Y165-R172 PolarHBondContact O-NH2 3.41Å; Y165-V176 HydrophobicContact CD2-CG1 3.75Å; Y165-V176 HydrophobicContact CE2-CG1 4.37Å; Y165-V176 HydrophobicContact CG-CG1 4.22Å
166V55.7Low76.2Confident108 Ų10859.2 Ų59.266%0.65530%0.301SS*.  trans-117.284.5-179-171.90000109.3D164D164-V166 PolarHBondContact O-N 2.9Å
167S64Low77.4Confident26 Ų2657.1 Ų57.118%0.18229%0.288CS..SBendtrans-168.8175.6174.5-179.80000110.5D131 K133 R169 R172D131-S167 WeakPolarHBondContact OD1-CB 3.45Å; D131-S167 PolarHBondContact OD1-OG 2.7Å; D131-S167 PolarHBondContact OD2-OG 2.75Å; D131-S167 VanDerWaalsContact OD2-OG 3.13Å; K133-S167 PolarHBondContact NZ-OG 3.06Å; S167-R169 PolarHBondContact O-N 3.05Å; S167-R172 PolarHBondContact O-NH2 2.98Å
168T77Confident78.6Confident47 Ų4746.3 Ų46.329%0.28825%0.248SC..  trans-45.6126.1174.5-520000110.6W170 Y171T168-W170 HydrophobicContact CG2-CB 4.25Å; T168-W170 HydrophobicContact CG2-CD2 4.02Å; T168-W170 HydrophobicContact CG2-CE3 4.2Å; T168-W170 HydrophobicContact CG2-CG 4.01Å; T168-Y171 HydrophobicContact CG2-CD2 4.28Å; T168-Y171 HydrophobicContact CG2-CE2 4.07Å
169R92.4Very high79.8Confident80 Ų8052.5 Ų52.530%0.30227%0.266SS..G310 helixtrans-81.5-18.2-171.468.2176.462.181-0.2115S167 Y171 R172 G208 S209 S210S167-R169 PolarHBondContact O-N 3.05Å; R169-Y171 PolarHBondContact O-N 3.46Å; R169-R172 WeakPolarHBondContact O-CB 3.32Å; R169-R172 WeakPolarHBondContact O-CG 3.09Å; R169-R172 PolarHBondContact O-N 3.02Å; R169-G208 WeakPolarHBondContact CD-O 2.86Å; R169-G208 PolarHBondContact NH1-O 2.86Å; R169-S209 PolarHBondContact NH1-O 3.49Å; R169-S210 VanDerWaalsContact CD-C 3.46Å; R169-S210 VanDerWaalsContact CD-O 3.25Å; R169-S210 WeakPolarHBondContact CD-O 3.32Å
170W96Very high81.2Confident87 Ų8746 Ų4633%0.3323%0.234SC..G310 helixtrans-62.3-15.8-171.6-55.2-16000115.2T168 P204 F206 P207 G208 E214T168-W170 HydrophobicContact CG2-CB 4.25Å; T168-W170 HydrophobicContact CG2-CD2 4.02Å; T168-W170 HydrophobicContact CG2-CE3 4.2Å; T168-W170 HydrophobicContact CG2-CG 4.01Å; W170-P204 HydrophobicContact CD2-CB 4.28Å; W170-P204 HydrophobicContact CD2-CG 4.43Å; W170-P204 HydrophobicContact CE3-CB 3.61Å; W170-P204 HydrophobicContact CE3-CG 3.4Å; W170-P204 HydrophobicContact CH2-CG 4.25Å; W170-P204 HydrophobicContact CZ3-CB 4.03Å; W170-P204 HydrophobicContact CZ3-CG 3.3Å; W170-F206 WeakPolarHBondContact CA-O 3.45Å; W170-F206 VanDerWaalsContact CB-O 3.29Å; W170-F206 WeakPolarHBondContact CB-O 3.23Å; W170-F206 VanDerWaalsContact CD1-O 3.29Å; W170-P207 HydrophobicContact CD2-CB 4.25Å; W170-P207 HydrophobicContact CH2-CB 4.45Å; W170-P207 HydrophobicContact CZ2-CB 4.01Å; W170-P207 VanDerWaalsContact NE1-C 3.28Å; W170-G208 VanDerWaalsContact CD1-N 3.3Å; W170-G208 PolarHBondContact NE1-O 3.04Å; W170-E214 VanDerWaalsContact CA-OE1 3.32Å; W170-E214 WeakPolarHBondContact CA-OE1 3.11Å
171Y96.9Very high82.2Confident6 Ų652.8 Ų52.82%0.02426%0.255CS..G310 helixtrans-1133.8-179.5-49.1-80.3000112.3M132 K133 P134 T168 R169 A191 C194 I195 E198M132-Y171 VanDerWaalsContact O-CB 3.31Å; M132-Y171 WeakPolarHBondContact O-CB 3.46Å; K133-Y171 HydrophobicContact CB-CD2 3.48Å; K133-Y171 VanDerWaalsContact CB-CD2 3.48Å; K133-Y171 HydrophobicContact CB-CE2 3.65Å; K133-Y171 HydrophobicContact CB-CG 4.07Å; P134-Y171 VanDerWaalsContact CD-OH 3.25Å; P134-Y171 WeakPolarHBondContact CD-OH 3.06Å; P134-Y171 HydrophobicContact CG-CE1 4.07Å; P134-Y171 WeakPolarHBondContact CG-OH 3.33Å; T168-Y171 HydrophobicContact CG2-CD2 4.28Å; T168-Y171 HydrophobicContact CG2-CE2 4.07Å; R169-Y171 PolarHBondContact O-N 3.46Å; Y171-A191 WeakPolarHBondContact O-CB 3.42Å; Y171-C194 HydrophobicContact CD1-CB 3.72Å; Y171-C194 HydrophobicContact CE1-CB 4.34Å; Y171-I195 HydrophobicContact CD1-CG1 4.04Å; Y171-I195 HydrophobicContact CE1-CG1 4.11Å; Y171-E198 VanDerWaalsContact CE1-OE2 3.26Å; Y171-E198 WeakPolarHBondContact CE1-OE2 3.47Å; Y171-E198 PolarHBondContact OH-OE2 2.96Å
172R95.7Very high83.4Confident17 Ų1754.4 Ų54.46%0.06426%0.259CS..  trans-75.1136.3-179.5-67.8179.2-168.5-167.50.1110.2Y165 S167 R169 L177 W190 E211Y165-R172 HydrophobicContact CD1-CG 4.06Å; Y165-R172 HydrophobicContact CE1-CG 3.66Å; Y165-R172 HydrophobicContact CE2-CG 4.32Å; Y165-R172 PolarHBondContact O-NH2 3.41Å; S167-R172 PolarHBondContact O-NH2 2.98Å; R169-R172 WeakPolarHBondContact O-CB 3.32Å; R169-R172 WeakPolarHBondContact O-CG 3.09Å; R169-R172 PolarHBondContact O-N 3.02Å; R172-L177 HydrophobicContact CB-CD2 3.93Å; R172-L177 HydrophobicContact CB-CG 3.99Å; R172-W190 PolarHBondContact O-NE1 2.84Å; R172-W190 VanDerWaalsContact O-NE1 3.11Å; R172-E211 IonicContact NH1-OE1 3.79Å; R172-E211 PolarHBondContact NH1-OE1 3.27Å
173A97.2Very high84.5Confident1 Ų154.1 Ų54.11%0.00826%0.258CS..  trans-69.9151.2174.700000112E175 V176 L177 I187 W190A173-E175 VanDerWaalsContact C-N 3.28Å; A173-E175 HydrophobicContact CB-CG 4.48Å; A173-E175 WeakPolarHBondContact CB-OE1 3.35Å; A173-E175 WeakPolarHBondContact CB-OE2 3.29Å; A173-E175 PolarHBondContact O-N 3.21Å; A173-V176 HydrophobicContact CB-CG2 4.36Å; A173-V176 WeakPolarHBondContact O-CA 3.4Å; A173-V176 WeakPolarHBondContact O-CB 3.23Å; A173-V176 PolarHBondContact O-N 3Å; A173-L177 PolarHBondContact O-N 3.26Å; A173-L177 VanDerWaalsContact O-N 3.11Å; A173-I187 HydrophobicContact CB-CB 4.01Å; A173-I187 HydrophobicContact CB-CG2 4.04Å; A173-W190 VanDerWaalsContact CA-CD1 3.48Å; A173-W190 HydrophobicContact CB-CB 3.81Å; A173-W190 HydrophobicContact CB-CD2 4.33Å; A173-W190 HydrophobicContact CB-CG 3.76Å
174P97.4Very high86.1Confident1 Ų152.6 Ų52.61%0.00625%0.25CS..Hα-helixtrans-51.1-42.5179.9-30.835.8000114.3V176 L177 L178 W190 I218 W230 W273P174-V176 PolarHBondContact O-N 2.67Å; P174-L177 PolarHBondContact O-N 2.99Å; P174-L178 WeakPolarHBondContact O-CB 3.34Å; P174-L178 WeakPolarHBondContact O-CG 3.31Å; P174-L178 PolarHBondContact O-N 3.27Å; P174-W190 HydrophobicContact CG-CE3 4.23Å; P174-W190 HydrophobicContact CG-CH2 3.47Å; P174-W190 VanDerWaalsContact CG-CH2 3.47Å; P174-W190 HydrophobicContact CG-CZ2 3.82Å; P174-W190 HydrophobicContact CG-CZ3 3.7Å; P174-I218 HydrophobicContact CG-CD1 4.38Å; P174-W230 HydrophobicContact CB-CH2 3.56Å; P174-W230 HydrophobicContact CB-CZ3 3.72Å; P174-W273 HydrophobicContact CB-CE3 3.74Å; P174-W273 HydrophobicContact CB-CZ3 3.7Å; P174-W273 HydrophobicContact CG-CE3 3.68Å; P174-W273 HydrophobicContact CG-CZ3 3.75Å
175E96.9Very high88.1Confident6 Ų647.1 Ų47.13%0.02822%0.223CC..Hα-helixtrans-64.8-28.5179.164.9-85.6-157.800112.9A173 R179 S180 I187 W230 P275 R278A173-E175 VanDerWaalsContact C-N 3.28Å; A173-E175 HydrophobicContact CB-CG 4.48Å; A173-E175 WeakPolarHBondContact CB-OE1 3.35Å; A173-E175 WeakPolarHBondContact CB-OE2 3.29Å; A173-E175 PolarHBondContact O-N 3.21Å; E175-R179 PolarHBondContact O-N 3.16Å; E175-S180 WeakPolarHBondContact O-CB 3.26Å; E175-S180 PolarHBondContact O-N 3.34Å; E175-I187 HydrophobicContact CG-CG2 4.26Å; E175-I187 WeakPolarHBondContact OE1-CG2 3.21Å; E175-W230 HydrophobicContact CB-CH2 4.35Å; E175-W230 HydrophobicContact CB-CZ2 3.89Å; E175-P275 WeakPolarHBondContact OE1-CB 3.42Å; E175-R278 IonicContact OE1-CZ 3.84Å; E175-R278 IonicContact OE1-NH1 2.72Å; E175-R278 PolarHBondContact OE1-NH1 3.24Å; E175-R278 IonicContact OE1-NH2 2.85Å; E175-R278 IonicContact OE2-CZ 3.58Å; E175-R278 IonicContact OE2-NH1 3.36Å; E175-R278 PolarHBondContact OE2-NH1 2.82Å; E175-R278 IonicContact OE2-NH2 3.62Å; E175-R278 PolarHBondContact OE2-NH2 2.78Å
176V95Very high90.3Very high11 Ų1147.3 Ų47.37%0.06723%0.227CC..Hα-helixtrans-76.4-42.2175.4-1800000109.9Y165 A173 P174 L178 R179 Y183 I187Y165-V176 HydrophobicContact CD2-CG1 3.75Å; Y165-V176 HydrophobicContact CE2-CG1 4.37Å; Y165-V176 HydrophobicContact CG-CG1 4.22Å; A173-V176 HydrophobicContact CB-CG2 4.36Å; A173-V176 WeakPolarHBondContact O-CA 3.4Å; A173-V176 WeakPolarHBondContact O-CB 3.23Å; A173-V176 PolarHBondContact O-N 3Å; P174-V176 PolarHBondContact O-N 2.67Å; V176-L178 VanDerWaalsContact C-N 3.28Å; V176-L178 PolarHBondContact O-N 3.44Å; V176-R179 PolarHBondContact O-N 3.26Å; V176-Y183 HydrophobicContact CG2-CD1 4.17Å; V176-Y183 HydrophobicContact CG2-CE1 4.37Å; V176-Y183 HydrophobicContact CG2-CG 4.26Å; V176-I187 HydrophobicContact CG2-CB 4.27Å; V176-I187 HydrophobicContact CG2-CD1 4.35Å; V176-I187 HydrophobicContact CG2-CG2 3.64Å
177L95.4Very high92.2Very high0 Ų042.5 Ų42.50%020%0.198CC..Hα-helixtrans-63.4-35.8175.9-65.2167.3000111.8R172 A173 P174 R179 E211 E214 I215 I218R172-L177 HydrophobicContact CB-CD2 3.93Å; R172-L177 HydrophobicContact CB-CG 3.99Å; A173-L177 PolarHBondContact O-N 3.26Å; A173-L177 VanDerWaalsContact O-N 3.11Å; P174-L177 PolarHBondContact O-N 2.99Å; L177-R179 PolarHBondContact O-N 2.93Å; L177-E211 HydrophobicContact CD2-CB 4.4Å; L177-E214 HydrophobicContact CD1-CB 4.03Å; L177-E214 HydrophobicContact CD1-CG 3.42Å; L177-E214 VanDerWaalsContact CD1-CG 3.42Å; L177-E214 HydrophobicContact CD2-CB 4.14Å; L177-E214 HydrophobicContact CD2-CG 3.92Å; L177-E214 HydrophobicContact CG-CG 4.32Å; L177-I215 HydrophobicContact CB-CD1 3.98Å; L177-I215 HydrophobicContact CB-CG1 3.83Å; L177-I215 HydrophobicContact CD1-CG1 3.99Å; L177-I218 HydrophobicContact CD1-CD1 3.62Å
178L95.8Very high93.8Very high3 Ų341.3 Ų41.32%0.01619%0.19CC..THydrogen-bonded Turntrans-81.716.8172.5-63.3176.2000113.6P174 V176 S180 I215 W230 L236 A237 M240 F242 F244P174-L178 WeakPolarHBondContact O-CB 3.34Å; P174-L178 WeakPolarHBondContact O-CG 3.31Å; P174-L178 PolarHBondContact O-N 3.27Å; V176-L178 VanDerWaalsContact C-N 3.28Å; V176-L178 PolarHBondContact O-N 3.44Å; L178-S180 PolarHBondContact O-N 3.36Å; L178-S180 VanDerWaalsContact O-N 3.12Å; L178-I215 HydrophobicContact CD2-CD1 3.64Å; L178-I215 HydrophobicContact CG-CD1 4.22Å; L178-W230 HydrophobicContact CD1-CH2 3.55Å; L178-W230 HydrophobicContact CD1-CZ3 3.81Å; L178-L236 HydrophobicContact CB-CB 3.79Å; L178-L236 HydrophobicContact CB-CD1 4.33Å; L178-L236 HydrophobicContact CD1-CB 4.27Å; L178-A237 HydrophobicContact CD2-CB 4.18Å; L178-M240 VanDerWaalsContact CA-SD 3.56Å; L178-M240 HydrophobicContact CB-SD 4.44Å; L178-M240 HydrophobicContact CD2-SD 4.49Å; L178-M240 VanDerWaalsContact O-SD 3.4Å; L178-F242 HydrophobicContact CD2-CD1 3.99Å; L178-F242 HydrophobicContact CD2-CE1 4.46Å; L178-F244 HydrophobicContact CD1-CE1 4.41Å; L178-F244 HydrophobicContact CD1-CZ 3.75Å
179R93.1Very high94.9Very high160 Ų16039.2 Ų39.260%0.60418%0.177SC*.THydrogen-bonded Turntrans55.832.9171.9-56.1-179.2179.5-179.5-0.7114.2E175 V176 L177 R181 E211 M240E175-R179 PolarHBondContact O-N 3.16Å; V176-R179 PolarHBondContact O-N 3.26Å; L177-R179 PolarHBondContact O-N 2.93Å; R179-R181 PolarHBondContact O-N 3.49Å; R179-E211 IonicContact CZ-OE2 3.55Å; R179-E211 IonicContact NE-OE2 3.53Å; R179-E211 IonicContact NH2-OE2 3.77Å; R179-E211 PolarHBondContact NH2-OE2 3.38Å; R179-M240 HydrophobicContact CB-SD 3.94Å; R179-M240 HydrophobicContact CG-CE 3.99Å; R179-M240 HydrophobicContact CG-SD 3.71Å
180S93.4Very high95.2Very high15 Ų1535.4 Ų35.411%0.10516%0.162CC..  trans-56.2131.6170.2-175.90000109.5E175 L178 N182 Y183E175-S180 WeakPolarHBondContact O-CB 3.26Å; E175-S180 PolarHBondContact O-N 3.34Å; L178-S180 PolarHBondContact O-N 3.36Å; L178-S180 VanDerWaalsContact O-N 3.12Å; S180-N182 VanDerWaalsContact C-N 3.34Å; S180-N182 PolarHBondContact OG-N 3.39Å; S180-N182 VanDerWaalsContact OG-N 3.16Å; S180-N182 PolarHBondContact OG-O 3.39Å; S180-N182 VanDerWaalsContact OG-O 3.1Å; S180-Y183 WeakPolarHBondContact O-CD1 3.48Å; S180-Y183 VanDerWaalsContact O-CE1 3.31Å; S180-Y183 WeakPolarHBondContact O-CE1 3.45Å
181R87.9Confident95.3Very high182 Ų18231.3 Ų31.369%0.68715%0.147SC*.SBendtrans-79.3-24.6169.3-65.5-176.4179.4179.91.8111.5P160 Y162 R179P160-R181 HydrophobicContact CB-CB 4.49Å; P160-R181 VanDerWaalsContact CB-O 3.28Å; P160-R181 WeakPolarHBondContact CB-O 3.46Å; P160-R181 WeakPolarHBondContact CG-O 3.49Å; Y162-R181 WeakPolarHBondContact CD2-O 3.37Å; Y162-R181 WeakPolarHBondContact CE2-O 3.47Å; R179-R181 PolarHBondContact O-N 3.49Å
182N88Confident95.3Very high124 Ų12431.1 Ų31.166%0.66315%0.146SC*.  trans-108.584.2-174-61.2-8.8000109P160 S180P160-N182 WeakPolarHBondContact CG-OD1 3.44Å; S180-N182 VanDerWaalsContact C-N 3.34Å; S180-N182 PolarHBondContact OG-N 3.39Å; S180-N182 VanDerWaalsContact OG-N 3.16Å; S180-N182 PolarHBondContact OG-O 3.39Å; S180-N182 VanDerWaalsContact OG-O 3.1Å
183Y91.4Very high95.5Very high22 Ų2230.3 Ų30.39%0.08614%0.143CC..  trans-126.1169.2169.558.4-104.8000111.2F128 R130 Y162 V176 S180 I187F128-Y183 AromaticContact CE2-CD2 3.97Å; F128-Y183 HydrophobicContact CE2-CD2 3.97Å; F128-Y183 HydrophobicContact CE2-CE2 4Å; R130-Y183 PolarHBondContact NH2-OH 3.34Å; Y162-Y183 WeakPolarHBondContact CB-OH 3.38Å; Y162-Y183 AromaticContact CD2-CD1 4Å; Y162-Y183 HydrophobicContact CD2-CD1 4Å; Y162-Y183 AromaticContact CD2-CD2 3.79Å; Y162-Y183 HydrophobicContact CD2-CD2 3.79Å; Y162-Y183 AromaticContact CD2-CE1 3.62Å; Y162-Y183 HydrophobicContact CD2-CE1 3.62Å; Y162-Y183 AromaticContact CD2-CE2 3.37Å; Y162-Y183 HydrophobicContact CD2-CE2 3.37Å; Y162-Y183 HydrophobicContact CD2-CG 4.09Å; Y162-Y183 AromaticContact CD2-CZ 3.3Å; Y162-Y183 HydrophobicContact CE2-CD1 4.26Å; Y162-Y183 AromaticContact CE2-CD2 3.71Å; Y162-Y183 HydrophobicContact CE2-CD2 3.71Å; Y162-Y183 HydrophobicContact CE2-CE1 4.32Å; Y162-Y183 AromaticContact CE2-CE2 3.77Å; Y162-Y183 HydrophobicContact CE2-CE2 3.77Å; Y162-Y183 AromaticContact CE2-CG 3.98Å; Y162-Y183 HydrophobicContact CE2-CG 3.98Å; Y162-Y183 WeakPolarHBondContact CE2-O 3.46Å; Y162-Y183 HydrophobicContact CG-CE2 4.24Å; Y162-Y183 PolarHBondContact OH-O 3.37Å; V176-Y183 HydrophobicContact CG2-CD1 4.17Å; V176-Y183 HydrophobicContact CG2-CE1 4.37Å; V176-Y183 HydrophobicContact CG2-CG 4.26Å; S180-Y183 WeakPolarHBondContact O-CD1 3.48Å; S180-Y183 VanDerWaalsContact O-CE1 3.31Å; S180-Y183 WeakPolarHBondContact O-CE1 3.45Å; Y183-I187 HydrophobicContact CD2-CD1 3.78Å; Y183-I187 HydrophobicContact CD2-CG2 4.23Å; Y183-I187 HydrophobicContact CE2-CD1 3.9Å; Y183-I187 HydrophobicContact CG-CG2 4.32Å
184S93.2Very high95.6Very high37 Ų3730.3 Ų30.326%0.25914%0.143SC..  trans-152.5-156.9-175.6-169.40000110.6P186 I187S184-P186 VanDerWaalsContact C-N 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.39Å; S184-P186 VanDerWaalsContact O-N 3.14Å; S184-I187 WeakPolarHBondContact O-CG1 3.34Å; S184-I187 PolarHBondContact O-N 2.81Å
185S95.5Very high95.6Very high29 Ų2930.3 Ų30.320%0.20314%0.143CC..THydrogen-bonded Turntrans-50.2-28.7179.854.50000117.1I187 D188 L189S185-I187 PolarHBondContact O-N 3.22Å; S185-D188 WeakPolarHBondContact O-CB 3.31Å; S185-D188 PolarHBondContact O-N 3.32Å; S185-L189 WeakPolarHBondContact O-CD2 3.5Å
186P97.6Very high95.7Very high31 Ų3130 Ų3020%0.20114%0.142CC..Hα-helixtrans-57.2-20.3177.6-29.738.7000115.7S184 D188 L189 W190 P275 R278S184-P186 VanDerWaalsContact C-N 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.39Å; S184-P186 VanDerWaalsContact O-N 3.14Å; P186-D188 VanDerWaalsContact C-N 3.29Å; P186-D188 PolarHBondContact O-N 3.38Å; P186-L189 PolarHBondContact O-N 3.06Å; P186-W190 PolarHBondContact O-N 2.76Å; P186-P275 HydrophobicContact CB-CB 3.91Å; P186-P275 WeakPolarHBondContact CB-O 3.34Å; P186-P275 HydrophobicContact CG-CB 4.48Å; P186-R278 PolarHBondContact O-NH1 2.88Å; P186-R278 VanDerWaalsContact O-NH1 3.11Å
187I97Very high95.8Very high8 Ų829.5 Ų29.54%0.04114%0.139CC..Hα-helixtrans-67.7-32.4175.474.8179.2000111.8F128 R130 A173 E175 V176 Y183 S184 S185 L189 A191F128-I187 HydrophobicContact CD2-CD1 4.16Å; F128-I187 HydrophobicContact CE2-CD1 4.2Å; R130-I187 HydrophobicContact CB-CD1 4.22Å; R130-I187 HydrophobicContact CG-CD1 3.96Å; A173-I187 HydrophobicContact CB-CB 4.01Å; A173-I187 HydrophobicContact CB-CG2 4.04Å; E175-I187 HydrophobicContact CG-CG2 4.26Å; E175-I187 WeakPolarHBondContact OE1-CG2 3.21Å; V176-I187 HydrophobicContact CG2-CB 4.27Å; V176-I187 HydrophobicContact CG2-CD1 4.35Å; V176-I187 HydrophobicContact CG2-CG2 3.64Å; Y183-I187 HydrophobicContact CD2-CD1 3.78Å; Y183-I187 HydrophobicContact CD2-CG2 4.23Å; Y183-I187 HydrophobicContact CE2-CD1 3.9Å; Y183-I187 HydrophobicContact CG-CG2 4.32Å; S184-I187 WeakPolarHBondContact O-CG1 3.34Å; S184-I187 PolarHBondContact O-N 2.81Å; S185-I187 PolarHBondContact O-N 3.22Å; I187-L189 VanDerWaalsContact C-N 3.26Å; I187-L189 PolarHBondContact O-N 3.33Å; I187-A191 PolarHBondContact O-N 2.91Å
188D97.6Very high95.9Very high1 Ų130.3 Ų30.31%0.00514%0.143CC..Hα-helixtrans-69.6-32.1178.7-65.3-25.4000110.1L119 H123 F128 H129 R130 M132 S185 P186 A191 V192L119-D188 HydrophobicContact CD1-CB 3.91Å; L119-D188 HydrophobicContact CD2-CB 3.94Å; H123-D188 IonicContact CD2-OD2 2.8Å; H123-D188 IonicContact CE1-OD2 2.65Å; H123-D188 IonicContact NE2-OD2 3.24Å; H123-D188 PolarHBondContact NE2-OD2 2.94Å; F128-D188 WeakPolarHBondContact CB-OD2 3.46Å; H129-D188 PolarHBondContact N-OD1 3.4Å; H129-D188 PolarHBondContact N-OD2 3.17Å; R130-D188 PolarHBondContact N-OD1 3.05Å; M132-D188 HydrophobicContact CG-CB 4.18Å; S185-D188 WeakPolarHBondContact O-CB 3.31Å; S185-D188 PolarHBondContact O-N 3.32Å; P186-D188 VanDerWaalsContact C-N 3.29Å; P186-D188 PolarHBondContact O-N 3.38Å; D188-A191 PolarHBondContact O-N 3.49Å; D188-V192 WeakPolarHBondContact O-CG2 3.12Å; D188-V192 PolarHBondContact O-N 3.3Å
189L98.7Very high96Very high2 Ų230.4 Ų30.41%0.0114%0.143CC..Hα-helixtrans-72.8-39.1-179.8-72.8-54.1000111.4L116 S185 P186 I187 A191 V192 G193 L270 P279 A281L116-L189 HydrophobicContact CD2-CD1 3.7Å; S185-L189 WeakPolarHBondContact O-CD2 3.5Å; P186-L189 PolarHBondContact O-N 3.06Å; I187-L189 VanDerWaalsContact C-N 3.26Å; I187-L189 PolarHBondContact O-N 3.33Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-V192 PolarHBondContact O-N 3.08Å; L189-G193 PolarHBondContact O-N 3.34Å; L189-L270 HydrophobicContact CB-CD2 4.03Å; L189-L270 HydrophobicContact CD1-CD2 4.13Å; L189-P279 WeakPolarHBondContact CG-O 3.41Å; L189-A281 HydrophobicContact CD1-CB 3.99Å
190W98.7Very high96.2Very high0 Ų023.9 Ų23.90%012%0.119CC..Hα-helixtrans-55.6-50.9169.1176.1-85.4000111.3R172 A173 P174 P186 V192 G193 C194 F206 I218 L222 L270 L271R172-W190 PolarHBondContact O-NE1 2.84Å; R172-W190 VanDerWaalsContact O-NE1 3.11Å; A173-W190 VanDerWaalsContact CA-CD1 3.48Å; A173-W190 HydrophobicContact CB-CB 3.81Å; A173-W190 HydrophobicContact CB-CD2 4.33Å; A173-W190 HydrophobicContact CB-CG 3.76Å; P174-W190 HydrophobicContact CG-CE3 4.23Å; P174-W190 HydrophobicContact CG-CH2 3.47Å; P174-W190 VanDerWaalsContact CG-CH2 3.47Å; P174-W190 HydrophobicContact CG-CZ2 3.82Å; P174-W190 HydrophobicContact CG-CZ3 3.7Å; P186-W190 PolarHBondContact O-N 2.76Å; W190-V192 VanDerWaalsContact C-N 3.27Å; W190-V192 PolarHBondContact O-N 3.28Å; W190-G193 WeakPolarHBondContact O-CA 3.43Å; W190-G193 PolarHBondContact O-N 2.93Å; W190-C194 PolarHBondContact O-N 2.86Å; W190-F206 HydrophobicContact CZ2-CD2 4.34Å; W190-F206 AromaticContact CZ2-CE2 3.76Å; W190-F206 HydrophobicContact CZ2-CE2 3.76Å; W190-F206 HydrophobicContact CZ2-CZ 4.44Å; W190-I218 HydrophobicContact CH2-CG2 3.68Å; W190-I218 HydrophobicContact CZ2-CD1 3.83Å; W190-I218 HydrophobicContact CZ2-CG1 4.07Å; W190-I218 HydrophobicContact CZ2-CG2 3.91Å; W190-L222 HydrophobicContact CH2-CD1 3.52Å; W190-L222 HydrophobicContact CZ2-CD1 4.46Å; W190-L222 HydrophobicContact CZ3-CD1 4.07Å; W190-L270 WeakPolarHBondContact CA-O 3.39Å; W190-L271 HydrophobicContact CD2-CD2 4.09Å; W190-L271 HydrophobicContact CE3-CD2 4.19Å; W190-L271 HydrophobicContact CH2-CD2 4.49Å; W190-L271 HydrophobicContact CZ2-CD2 4.36Å; W190-L271 HydrophobicContact CZ3-CB 4.27Å; W190-L271 HydrophobicContact CZ3-CD2 4.41Å; W190-L271 VanDerWaalsContact CZ3-O 3.27Å; W190-L271 WeakPolarHBondContact CZ3-O 3.46Å
191A98.3Very high96.3Very high2 Ų224.8 Ų24.82%0.01712%0.122CC..Hα-helixtrans-59.4-38.2179.100000112.2M132 Y171 I187 D188 L189 G193 C194 I195M132-A191 HydrophobicContact CB-CB 3.54Å; Y171-A191 WeakPolarHBondContact O-CB 3.42Å; I187-A191 PolarHBondContact O-N 2.91Å; D188-A191 PolarHBondContact O-N 3.49Å; L189-A191 VanDerWaalsContact C-N 3.34Å; A191-G193 VanDerWaalsContact C-N 3.34Å; A191-C194 WeakPolarHBondContact O-CB 3.34Å; A191-C194 PolarHBondContact O-N 3.06Å; A191-I195 VanDerWaalsContact O-CG1 3.25Å; A191-I195 WeakPolarHBondContact O-CG1 3.44Å; A191-I195 PolarHBondContact O-N 2.88Å
192V98.7Very high96.6Very high1 Ų119.1 Ų19.11%0.00610%0.104CC..Hα-helixtrans-63.4-38.9172.3173.30000112T112 I115 L116 L119 D188 L189 W190 I195 M196 L270T112-V192 HydrophobicContact CG2-CG1 3.93Å; I115-V192 HydrophobicContact CG2-CG2 3.67Å; L116-V192 HydrophobicContact CD2-CG1 3.98Å; L116-V192 HydrophobicContact CG-CG1 4.2Å; L119-V192 HydrophobicContact CD1-CG2 3.47Å; L119-V192 VanDerWaalsContact CD1-CG2 3.47Å; D188-V192 WeakPolarHBondContact O-CG2 3.12Å; D188-V192 PolarHBondContact O-N 3.3Å; L189-V192 PolarHBondContact O-N 3.08Å; W190-V192 VanDerWaalsContact C-N 3.27Å; W190-V192 PolarHBondContact O-N 3.28Å; V192-I195 PolarHBondContact O-N 3.26Å; V192-M196 WeakPolarHBondContact O-CB 3.38Å; V192-M196 PolarHBondContact O-N 3.4Å; V192-L270 HydrophobicContact CG1-CD1 4.21Å
193G98.7Very high96.9Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-57.3-47.2172.100000112L189 W190 A191 M196 A197 L267L189-G193 PolarHBondContact O-N 3.34Å; W190-G193 WeakPolarHBondContact O-CA 3.43Å; W190-G193 PolarHBondContact O-N 2.93Å; A191-G193 VanDerWaalsContact C-N 3.34Å; G193-M196 PolarHBondContact O-N 2.89Å; G193-A197 WeakPolarHBondContact O-CB 3.38Å; G193-A197 PolarHBondContact O-N 2.99Å; G193-L267 WeakPolarHBondContact O-CD2 3.32Å
194C98.6Very high97.1Very high1 Ų119.7 Ų19.71%0.00710%0.1CC..Hα-helixtrans-60.9-46.6175.1-65.80000112.4Y171 W190 A191 A197 E198Y171-C194 HydrophobicContact CD1-CB 3.72Å; Y171-C194 HydrophobicContact CE1-CB 4.34Å; W190-C194 PolarHBondContact O-N 2.86Å; A191-C194 WeakPolarHBondContact O-CB 3.34Å; A191-C194 PolarHBondContact O-N 3.06Å; C194-A197 PolarHBondContact O-N 3.18Å; C194-E198 WeakPolarHBondContact O-CB 3.41Å; C194-E198 PolarHBondContact O-N 2.86Å
195I98.5Very high97.3Very high1 Ų118.2 Ų18.21%0.0059%0.089CC..Hα-helixtrans-61.2-45.5178.2-68.2164.2000110.6L92 I115 M132 P134 Y171 A191 V192 E198 L199L92-I195 HydrophobicContact CD2-CG2 3.65Å; I115-I195 HydrophobicContact CD1-CG2 4.34Å; M132-I195 HydrophobicContact CB-CD1 4.39Å; M132-I195 HydrophobicContact CE-CD1 4.48Å; P134-I195 HydrophobicContact CG-CG1 4.14Å; Y171-I195 HydrophobicContact CD1-CG1 4.04Å; Y171-I195 HydrophobicContact CE1-CG1 4.11Å; A191-I195 VanDerWaalsContact O-CG1 3.25Å; A191-I195 WeakPolarHBondContact O-CG1 3.44Å; A191-I195 PolarHBondContact O-N 2.88Å; V192-I195 PolarHBondContact O-N 3.26Å; I195-E198 PolarHBondContact O-N 3.47Å; I195-L199 WeakPolarHBondContact O-CG 3.22Å; I195-L199 PolarHBondContact O-N 3.28Å
196M98.3Very high97.4Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-63.1-45.2-179.9-175.6-179.4-169.100111I108 T112 V192 G193 E198 L199 Y200 V263 L266 L267I108-M196 HydrophobicContact CG2-CE 4.49Å; I108-M196 HydrophobicContact CG2-CG 4.1Å; T112-M196 HydrophobicContact CG2-CB 4.29Å; T112-M196 HydrophobicContact CG2-CG 4.24Å; T112-M196 HydrophobicContact CG2-SD 3.82Å; V192-M196 WeakPolarHBondContact O-CB 3.38Å; V192-M196 PolarHBondContact O-N 3.4Å; G193-M196 PolarHBondContact O-N 2.89Å; M196-E198 PolarHBondContact O-N 3.3Å; M196-L199 PolarHBondContact O-N 3.43Å; M196-Y200 HydrophobicContact CE-CE2 4.3Å; M196-Y200 HydrophobicContact CG-CE2 4.49Å; M196-Y200 WeakPolarHBondContact O-CD2 3.37Å; M196-V263 HydrophobicContact CE-CB 4.39Å; M196-V263 HydrophobicContact CE-CG1 3.67Å; M196-V263 HydrophobicContact CE-CG2 4.13Å; M196-L266 HydrophobicContact CE-CD2 4.15Å; M196-L266 HydrophobicContact SD-CD2 3.88Å; M196-L267 HydrophobicContact CB-CD2 3.93Å; M196-L267 HydrophobicContact CG-CD2 4.02Å; M196-L267 HydrophobicContact SD-CD2 3.96Å; M196-L267 HydrophobicContact SD-CG 4.18Å
197A98.2Very high97.3Very high0 Ų017.6 Ų17.60%08%0.084CC..Hα-helixtrans-61.7-42.5175.400000112G193 C194 L199 Y200 L201 L205 I256 L267G193-A197 WeakPolarHBondContact O-CB 3.38Å; G193-A197 PolarHBondContact O-N 2.99Å; C194-A197 PolarHBondContact O-N 3.18Å; A197-L199 VanDerWaalsContact C-N 3.28Å; A197-L199 PolarHBondContact O-N 2.89Å; A197-Y200 PolarHBondContact O-N 2.98Å; A197-Y200 VanDerWaalsContact O-N 3.08Å; A197-L201 WeakPolarHBondContact O-CB 3.44Å; A197-L201 VanDerWaalsContact O-CG 3.31Å; A197-L201 WeakPolarHBondContact O-CG 3.38Å; A197-L201 PolarHBondContact O-N 2.97Å; A197-L205 HydrophobicContact CB-CB 4.3Å; A197-L205 HydrophobicContact CB-CD1 4.3Å; A197-L205 HydrophobicContact CB-CD2 3.77Å; A197-L205 HydrophobicContact CB-CG 4.35Å; A197-I256 HydrophobicContact CB-CD1 4.03Å; A197-L267 HydrophobicContact CB-CD2 4.27Å
198E97.5Very high97.3Very high17 Ų1717.3 Ų17.38%0.0798%0.083CC..Hα-helixtrans-60.5-35.6177174.8167-179.500112.7Y171 C194 I195 M196 Y200 L201 M202Y171-E198 VanDerWaalsContact CE1-OE2 3.26Å; Y171-E198 WeakPolarHBondContact CE1-OE2 3.47Å; Y171-E198 PolarHBondContact OH-OE2 2.96Å; C194-E198 WeakPolarHBondContact O-CB 3.41Å; C194-E198 PolarHBondContact O-N 2.86Å; I195-E198 PolarHBondContact O-N 3.47Å; M196-E198 PolarHBondContact O-N 3.3Å; E198-Y200 VanDerWaalsContact C-N 3.25Å; E198-Y200 PolarHBondContact O-N 2.92Å; E198-L201 PolarHBondContact O-N 3.31Å; E198-M202 WeakPolarHBondContact O-CA 3.41Å; E198-M202 PolarHBondContact O-N 3.3Å
199L96.9Very high97.1Very high5 Ų521.6 Ų21.63%0.02611%0.113CC..Hα-helixtrans-65.1-27.4175.7-69.7174.3000113.7L92 A96 F103 I108 M111 I195 M196 A197L92-L199 HydrophobicContact CD1-CD2 3.88Å; L92-L199 HydrophobicContact CD2-CD1 4.28Å; L92-L199 HydrophobicContact CD2-CD2 4.31Å; L92-L199 HydrophobicContact CG-CD2 4.09Å; A96-L199 HydrophobicContact CB-CD2 4.28Å; F103-L199 HydrophobicContact CD2-CD2 4.43Å; I108-L199 HydrophobicContact CD1-CB 4.14Å; I108-L199 HydrophobicContact CG1-CB 4.14Å; I108-L199 HydrophobicContact CG2-CB 3.93Å; I108-L199 HydrophobicContact CG2-CD1 4Å; M111-L199 HydrophobicContact CE-CD1 3.87Å; M111-L199 HydrophobicContact CE-CD2 4.25Å; I195-L199 WeakPolarHBondContact O-CG 3.22Å; I195-L199 PolarHBondContact O-N 3.28Å; M196-L199 PolarHBondContact O-N 3.43Å; A197-L199 VanDerWaalsContact C-N 3.28Å; A197-L199 PolarHBondContact O-N 2.89Å
200Y96.9Very high96.8Very high24 Ų2423.9 Ų23.99%0.09413%0.129CC..Hα-helixtrans-82.1-41.6171.7-80.8-88.7000112.1P102 Q105 I108 M196 A197 E198 I256 A259 V263P102-Y200 WeakPolarHBondContact CG-O 3.34Å; Q105-Y200 HydrophobicContact CB-CE1 4.33Å; Q105-Y200 WeakPolarHBondContact CB-OH 3.19Å; Q105-Y200 VanDerWaalsContact CG-OH 3.22Å; Q105-Y200 WeakPolarHBondContact CG-OH 3.02Å; Q105-Y200 PolarHBondContact OE1-OH 2.86Å; I108-Y200 HydrophobicContact CB-CE2 4.08Å; I108-Y200 HydrophobicContact CD1-CD1 3.85Å; I108-Y200 HydrophobicContact CD1-CD2 3.7Å; I108-Y200 HydrophobicContact CD1-CE1 3.91Å; I108-Y200 HydrophobicContact CD1-CE2 3.74Å; I108-Y200 HydrophobicContact CD1-CG 3.74Å; I108-Y200 HydrophobicContact CG2-CD2 3.96Å; I108-Y200 HydrophobicContact CG2-CE2 3.53Å; M196-Y200 HydrophobicContact CE-CE2 4.3Å; M196-Y200 HydrophobicContact CG-CE2 4.49Å; M196-Y200 WeakPolarHBondContact O-CD2 3.37Å; A197-Y200 PolarHBondContact O-N 2.98Å; A197-Y200 VanDerWaalsContact O-N 3.08Å; E198-Y200 VanDerWaalsContact C-N 3.25Å; E198-Y200 PolarHBondContact O-N 2.92Å; Y200-I256 HydrophobicContact CD1-CG2 3.62Å; Y200-I256 HydrophobicContact CD2-CG2 3.97Å; Y200-I256 HydrophobicContact CE1-CG2 4.28Å; Y200-I256 HydrophobicContact CG-CG2 3.44Å; Y200-I256 VanDerWaalsContact CG-CG2 3.44Å; Y200-A259 HydrophobicContact CD1-CB 4.34Å; Y200-A259 HydrophobicContact CE1-CB 3.8Å; Y200-V263 HydrophobicContact CE2-CG1 3.84Å
201L95.8Very high96.5Very high33 Ų3326.4 Ų26.417%0.17314%0.141CC..Hα-helixtrans-82.5-16.8-173.3-63.8176.1000113.5A197 E198 R203 L205 L255 I256A197-L201 WeakPolarHBondContact O-CB 3.44Å; A197-L201 VanDerWaalsContact O-CG 3.31Å; A197-L201 WeakPolarHBondContact O-CG 3.38Å; A197-L201 PolarHBondContact O-N 2.97Å; E198-L201 PolarHBondContact O-N 3.31Å; L201-R203 HydrophobicContact CB-CG 4.09Å; L201-R203 PolarHBondContact O-N 2.87Å; L201-R203 VanDerWaalsContact O-N 3.1Å; L201-L205 HydrophobicContact CD1-CD1 3.71Å; L201-L255 HydrophobicContact CD1-CD2 4.21Å; L201-L255 HydrophobicContact CD1-CG 4.28Å; L201-L255 HydrophobicContact CD2-CD1 4.44Å; L201-L255 HydrophobicContact CD2-CG 4.11Å; L201-L255 WeakPolarHBondContact CD2-O 3.28Å; L201-I256 HydrophobicContact CD2-CG1 4.27Å; L201-I256 HydrophobicContact CG-CG1 4.48Å
202M94.2Very high96.4Very high63 Ų6330.6 Ų30.631%0.3116%0.163SC..SBendtrans58.616-172.6-64.6-74.3-71.200113.8A96 R99 P102 E198A96-M202 WeakPolarHBondContact O-CE 3.49Å; R99-M202 HydrophobicContact CB-CE 3.64Å; R99-M202 WeakPolarHBondContact O-CE 3.35Å; P102-M202 HydrophobicContact CB-CG 4.27Å; P102-M202 HydrophobicContact CG-CG 3.83Å; E198-M202 WeakPolarHBondContact O-CA 3.41Å; E198-M202 PolarHBondContact O-N 3.3Å
203R94.4Very high96.3Very high134 Ų13432.6 Ų32.651%0.50617%0.173SC..SBendtrans-150.3152.6176.664.8-176.8177.186.3-2.8109.4L201L201-R203 HydrophobicContact CB-CG 4.09Å; L201-R203 PolarHBondContact O-N 2.87Å; L201-R203 VanDerWaalsContact O-N 3.1Å
204P96.4Very high96.2Very high24 Ų2432.6 Ų32.616%0.15617%0.173CC..  trans-55.4140.7177.4-21.528.6000111.9W170 P207W170-P204 HydrophobicContact CD2-CB 4.28Å; W170-P204 HydrophobicContact CD2-CG 4.43Å; W170-P204 HydrophobicContact CE3-CB 3.61Å; W170-P204 HydrophobicContact CE3-CG 3.4Å; W170-P204 HydrophobicContact CH2-CG 4.25Å; W170-P204 HydrophobicContact CZ3-CB 4.03Å; W170-P204 HydrophobicContact CZ3-CG 3.3Å; P204-P207 HydrophobicContact CB-CB 4.28Å
205L97.6Very high96.1Very high7 Ų732.7 Ų32.74%0.03717%0.174CC..SBendtrans-68.7-44.5-179.5-17761.8000111.7A197 L201 P207 I221 L255 L271A197-L205 HydrophobicContact CB-CB 4.3Å; A197-L205 HydrophobicContact CB-CD1 4.3Å; A197-L205 HydrophobicContact CB-CD2 3.77Å; A197-L205 HydrophobicContact CB-CG 4.35Å; L201-L205 HydrophobicContact CD1-CD1 3.71Å; L205-P207 WeakPolarHBondContact O-CD 3.25Å; L205-I221 HydrophobicContact CD1-CD1 3.76Å; L205-I221 HydrophobicContact CG-CD1 4.3Å; L205-L255 HydrophobicContact CD1-CD2 3.65Å; L205-L271 HydrophobicContact CD2-CD1 3.72Å
206F97.7Very high96.1Very high1 Ų137 Ų370%0.00419%0.193CC..  trans-125.778.2-177-51.2-58.1000111W170 W190 G208 E214 K217 I218 I221 L222 L271W170-F206 WeakPolarHBondContact CA-O 3.45Å; W170-F206 VanDerWaalsContact CB-O 3.29Å; W170-F206 WeakPolarHBondContact CB-O 3.23Å; W170-F206 VanDerWaalsContact CD1-O 3.29Å; W190-F206 HydrophobicContact CZ2-CD2 4.34Å; W190-F206 AromaticContact CZ2-CE2 3.76Å; W190-F206 HydrophobicContact CZ2-CE2 3.76Å; W190-F206 HydrophobicContact CZ2-CZ 4.44Å; F206-G208 VanDerWaalsContact C-N 3.3Å; F206-G208 PolarHBondContact O-N 2.79Å; F206-E214 WeakPolarHBondContact CB-OE1 3.42Å; F206-K217 HydrophobicContact CB-CB 4.47Å; F206-I218 HydrophobicContact CB-CG1 4.3Å; F206-I218 HydrophobicContact CD1-CB 4.45Å; F206-I218 HydrophobicContact CD1-CG1 3.96Å; F206-I218 HydrophobicContact CD2-CG1 3.91Å; F206-I218 HydrophobicContact CE1-CB 4.38Å; F206-I218 HydrophobicContact CE1-CG1 4.21Å; F206-I218 HydrophobicContact CE2-CG1 4.17Å; F206-I218 HydrophobicContact CG-CG1 3.8Å; F206-I218 HydrophobicContact CZ-CG1 4.32Å; F206-I218 HydrophobicContact CZ-CG2 4.46Å; F206-I221 HydrophobicContact CD1-CD1 3.99Å; F206-I221 HydrophobicContact CE1-CB 3.96Å; F206-I221 HydrophobicContact CE1-CD1 3.73Å; F206-I221 HydrophobicContact CE1-CG1 4.26Å; F206-I221 HydrophobicContact CE1-CG2 4.36Å; F206-L222 HydrophobicContact CZ-CD1 4.23Å; F206-L222 HydrophobicContact CZ-CG 4.23Å; F206-L271 HydrophobicContact CE2-CD2 4.29Å
207P95.8Very high96.1Very high45 Ų4540.2 Ų40.229%0.29221%0.206SC..  trans-83.161-175.431.5-35.1000113W170 P204 L205 K217W170-P207 HydrophobicContact CD2-CB 4.25Å; W170-P207 HydrophobicContact CH2-CB 4.45Å; W170-P207 HydrophobicContact CZ2-CB 4.01Å; W170-P207 VanDerWaalsContact NE1-C 3.28Å; P204-P207 HydrophobicContact CB-CB 4.28Å; L205-P207 WeakPolarHBondContact O-CD 3.25Å; P207-K217 HydrophobicContact CG-CD 4.38Å; P207-K217 PolarHBondContact O-NZ 2.58Å
208G95.7Very high96.1Very high2 Ų240.2 Ų40.22%0.02121%0.206CC..  trans-68.3140.7-176.500000115R169 W170 F206 D213 E214R169-G208 WeakPolarHBondContact CD-O 2.86Å; R169-G208 PolarHBondContact NH1-O 2.86Å; W170-G208 VanDerWaalsContact CD1-N 3.3Å; W170-G208 PolarHBondContact NE1-O 3.04Å; F206-G208 VanDerWaalsContact C-N 3.3Å; F206-G208 PolarHBondContact O-N 2.79Å; G208-D213 WeakPolarHBondContact CA-OD2 3.25Å; G208-E214 WeakPolarHBondContact CA-OE2 3.36Å; G208-E214 PolarHBondContact N-OE2 2.53Å
209S93.5Very high96.2Very high91 Ų9139.4 Ų39.464%0.63620%0.203SC*.SBendtrans-82.6-25.4177.459.70000113.2R169 D213R169-S209 PolarHBondContact NH1-O 3.49Å; S209-D213 WeakPolarHBondContact CB-OD2 3.46Å; S209-D213 PolarHBondContact N-OD2 3.07Å; S209-D213 WeakPolarHBondContact OG-CB 3.32Å; S209-D213 VanDerWaalsContact OG-CG 3.31Å; S209-D213 PolarHBondContact OG-OD2 2.88Å
210S93.5Very high96.2Very high50 Ų5041.7 Ų41.735%0.3522%0.223SC..SBendtrans-141.8170.8176.469.30000110.6R169 I212 D213 E214R169-S210 VanDerWaalsContact CD-C 3.46Å; R169-S210 VanDerWaalsContact CD-O 3.25Å; R169-S210 WeakPolarHBondContact CD-O 3.32Å; S210-I212 PolarHBondContact O-N 3.43Å; S210-D213 PolarHBondContact O-N 2.98Å; S210-D213 WeakPolarHBondContact OG-CB 3.35Å; S210-D213 PolarHBondContact OG-N 3.34Å; S210-E214 WeakPolarHBondContact O-CB 3.38Å; S210-E214 PolarHBondContact O-N 3.1Å
211E92.6Very high96.3Very high54 Ų5441.9 Ų41.925%0.25223%0.225SC..Hα-helixtrans-60.3-37.4176.1-60.1-173.7141.300112R172 L177 R179 E214 I215R172-E211 IonicContact NH1-OE1 3.79Å; R172-E211 PolarHBondContact NH1-OE1 3.27Å; L177-E211 HydrophobicContact CD2-CB 4.4Å; R179-E211 IonicContact CZ-OE2 3.55Å; R179-E211 IonicContact NE-OE2 3.53Å; R179-E211 IonicContact NH2-OE2 3.77Å; R179-E211 PolarHBondContact NH2-OE2 3.38Å; E211-E214 WeakPolarHBondContact O-CB 3.45Å; E211-I215 WeakPolarHBondContact O-CG1 3.35Å; E211-I215 PolarHBondContact O-N 2.9Å
212I94.7Very high96.4Very high90 Ų9041.8 Ų41.846%0.46222%0.224SC..Hα-helixtrans-71-50.8178-66.5173.6000109.6S210 E214 I215 F216 F242S210-I212 PolarHBondContact O-N 3.43Å; I212-E214 PolarHBondContact O-N 3.37Å; I212-I215 WeakPolarHBondContact O-CB 3.29Å; I212-I215 PolarHBondContact O-N 3.13Å; I212-F216 HydrophobicContact CG2-CD2 3.74Å; I212-F216 HydrophobicContact CG2-CE2 3.53Å; I212-F216 WeakPolarHBondContact O-CD2 3.07Å; I212-F216 PolarHBondContact O-N 2.96Å; I212-F242 HydrophobicContact CG2-CD2 4.5Å; I212-F242 HydrophobicContact CG2-CE2 4.03Å
213D96.1Very high96.6Very high42 Ų4239 Ų3923%0.22521%0.211CC..Hα-helixtrans-57.8-35.7178.1-178.847.4000112.1G208 S209 S210 I215 F216 K217G208-D213 WeakPolarHBondContact CA-OD2 3.25Å; S209-D213 WeakPolarHBondContact CB-OD2 3.46Å; S209-D213 PolarHBondContact N-OD2 3.07Å; S209-D213 WeakPolarHBondContact OG-CB 3.32Å; S209-D213 VanDerWaalsContact OG-CG 3.31Å; S209-D213 PolarHBondContact OG-OD2 2.88Å; S210-D213 PolarHBondContact O-N 2.98Å; S210-D213 WeakPolarHBondContact OG-CB 3.35Å; S210-D213 PolarHBondContact OG-N 3.34Å; D213-I215 PolarHBondContact O-N 3.34Å; D213-F216 WeakPolarHBondContact O-CB 3.39Å; D213-F216 PolarHBondContact O-N 3.23Å; D213-K217 WeakPolarHBondContact O-CG 3.44Å; D213-K217 PolarHBondContact O-N 3.35Å; D213-K217 VanDerWaalsContact OD2-CE 3.26Å; D213-K217 WeakPolarHBondContact OD2-CE 3.48Å; D213-K217 IonicContact OD2-NZ 3.33Å
214E97.3Very high96.7Very high0 Ų033.9 Ų33.90%020%0.195CC..Hα-helixtrans-57-48.8172.1-17167.9-155.700111.6W170 L177 F206 G208 S210 E211 I212 F216 K217 I218W170-E214 VanDerWaalsContact CA-OE1 3.32Å; W170-E214 WeakPolarHBondContact CA-OE1 3.11Å; L177-E214 HydrophobicContact CD1-CB 4.03Å; L177-E214 HydrophobicContact CD1-CG 3.42Å; L177-E214 VanDerWaalsContact CD1-CG 3.42Å; L177-E214 HydrophobicContact CD2-CB 4.14Å; L177-E214 HydrophobicContact CD2-CG 3.92Å; L177-E214 HydrophobicContact CG-CG 4.32Å; F206-E214 WeakPolarHBondContact CB-OE1 3.42Å; G208-E214 WeakPolarHBondContact CA-OE2 3.36Å; G208-E214 PolarHBondContact N-OE2 2.53Å; S210-E214 WeakPolarHBondContact O-CB 3.38Å; S210-E214 PolarHBondContact O-N 3.1Å; E211-E214 WeakPolarHBondContact O-CB 3.45Å; I212-E214 PolarHBondContact O-N 3.37Å; E214-F216 VanDerWaalsContact C-N 3.31Å; E214-F216 PolarHBondContact O-N 2.98Å; E214-K217 PolarHBondContact O-N 3.17Å; E214-K217 VanDerWaalsContact O-N 3.17Å; E214-I218 HydrophobicContact CG-CD1 4.3Å; E214-I218 VanDerWaalsContact O-CG1 3.29Å; E214-I218 WeakPolarHBondContact O-CG1 3.41Å; E214-I218 PolarHBondContact O-N 3.13Å
215I97.7Very high96.8Very high4 Ų432.8 Ų32.82%0.02119%0.188CC..Hα-helixtrans-61.6-40.2176.7-61.6164.3000111L177 L178 E211 I212 D213 K217 I218 C219 F242 F244L177-I215 HydrophobicContact CB-CD1 3.98Å; L177-I215 HydrophobicContact CB-CG1 3.83Å; L177-I215 HydrophobicContact CD1-CG1 3.99Å; L178-I215 HydrophobicContact CD2-CD1 3.64Å; L178-I215 HydrophobicContact CG-CD1 4.22Å; E211-I215 WeakPolarHBondContact O-CG1 3.35Å; E211-I215 PolarHBondContact O-N 2.9Å; I212-I215 WeakPolarHBondContact O-CB 3.29Å; I212-I215 PolarHBondContact O-N 3.13Å; D213-I215 PolarHBondContact O-N 3.34Å; I215-K217 VanDerWaalsContact C-N 3.35Å; I215-K217 PolarHBondContact O-N 3.04Å; I215-I218 PolarHBondContact O-N 2.97Å; I215-C219 PolarHBondContact O-N 3.45Å; I215-C219 PolarHBondContact O-SG 3.46Å; I215-F242 HydrophobicContact CB-CZ 4.26Å; I215-F242 HydrophobicContact CD1-CE1 4.34Å; I215-F242 HydrophobicContact CG2-CE1 3.71Å; I215-F242 HydrophobicContact CG2-CZ 3.68Å; I215-F244 HydrophobicContact CG2-CD1 4.03Å; I215-F244 HydrophobicContact CG2-CE1 3.93Å
216F97.7Very high96.8Very high92 Ų9235 Ų3540%0.40420%0.204SC..Hα-helixtrans-60.3-43.4175.1-86.1-93.3000111.8I212 D213 E214 I218 C219 A220 F242 P245I212-F216 HydrophobicContact CG2-CD2 3.74Å; I212-F216 HydrophobicContact CG2-CE2 3.53Å; I212-F216 WeakPolarHBondContact O-CD2 3.07Å; I212-F216 PolarHBondContact O-N 2.96Å; D213-F216 WeakPolarHBondContact O-CB 3.39Å; D213-F216 PolarHBondContact O-N 3.23Å; E214-F216 VanDerWaalsContact C-N 3.31Å; E214-F216 PolarHBondContact O-N 2.98Å; F216-I218 VanDerWaalsContact C-N 3.35Å; F216-C219 PolarHBondContact O-N 3.33Å; F216-A220 WeakPolarHBondContact O-CB 3.4Å; F216-A220 PolarHBondContact O-N 2.98Å; F216-F242 AromaticContact CE2-CE2 3.92Å; F216-F242 HydrophobicContact CE2-CE2 3.92Å; F216-F242 HydrophobicContact CE2-CZ 4.4Å; F216-P245 HydrophobicContact CD1-CB 3.89Å; F216-P245 HydrophobicContact CD1-CG 3.71Å; F216-P245 HydrophobicContact CE1-CB 3.66Å; F216-P245 HydrophobicContact CE1-CG 3.88Å; F216-P245 HydrophobicContact CG-CG 4.32Å
217K98.1Very high96.7Very high66 Ų6642.7 Ų42.729%0.28723%0.233SC..Hα-helixtrans-66.2-36.7177.4-69.8-174.3-171.9-167.10112.7F206 P207 D213 E214 I215 A220 I221F206-K217 HydrophobicContact CB-CB 4.47Å; P207-K217 HydrophobicContact CG-CD 4.38Å; P207-K217 PolarHBondContact O-NZ 2.58Å; D213-K217 WeakPolarHBondContact O-CG 3.44Å; D213-K217 PolarHBondContact O-N 3.35Å; D213-K217 VanDerWaalsContact OD2-CE 3.26Å; D213-K217 WeakPolarHBondContact OD2-CE 3.48Å; D213-K217 IonicContact OD2-NZ 3.33Å; E214-K217 PolarHBondContact O-N 3.17Å; E214-K217 VanDerWaalsContact O-N 3.17Å; I215-K217 VanDerWaalsContact C-N 3.35Å; I215-K217 PolarHBondContact O-N 3.04Å; K217-A220 PolarHBondContact O-N 3.15Å; K217-I221 PolarHBondContact O-N 3.28Å
218I98.6Very high96.8Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-61.8-50172.7-63.4166.6000109.9P174 L177 W190 F206 E214 I215 F216 A220 I221 L222 W273P174-I218 HydrophobicContact CG-CD1 4.38Å; L177-I218 HydrophobicContact CD1-CD1 3.62Å; W190-I218 HydrophobicContact CH2-CG2 3.68Å; W190-I218 HydrophobicContact CZ2-CD1 3.83Å; W190-I218 HydrophobicContact CZ2-CG1 4.07Å; W190-I218 HydrophobicContact CZ2-CG2 3.91Å; F206-I218 HydrophobicContact CB-CG1 4.3Å; F206-I218 HydrophobicContact CD1-CB 4.45Å; F206-I218 HydrophobicContact CD1-CG1 3.96Å; F206-I218 HydrophobicContact CD2-CG1 3.91Å; F206-I218 HydrophobicContact CE1-CB 4.38Å; F206-I218 HydrophobicContact CE1-CG1 4.21Å; F206-I218 HydrophobicContact CE2-CG1 4.17Å; F206-I218 HydrophobicContact CG-CG1 3.8Å; F206-I218 HydrophobicContact CZ-CG1 4.32Å; F206-I218 HydrophobicContact CZ-CG2 4.46Å; E214-I218 HydrophobicContact CG-CD1 4.3Å; E214-I218 VanDerWaalsContact O-CG1 3.29Å; E214-I218 WeakPolarHBondContact O-CG1 3.41Å; E214-I218 PolarHBondContact O-N 3.13Å; I215-I218 PolarHBondContact O-N 2.97Å; F216-I218 VanDerWaalsContact C-N 3.35Å; I218-A220 VanDerWaalsContact C-N 3.3Å; I218-A220 PolarHBondContact O-N 3.13Å; I218-I221 PolarHBondContact O-N 2.86Å; I218-L222 HydrophobicContact CG2-CD1 3.78Å; I218-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 PolarHBondContact O-N 2.86Å; I218-W273 HydrophobicContact CB-CH2 4.11Å; I218-W273 HydrophobicContact CG2-CH2 3.39Å; I218-W273 HydrophobicContact CG2-CZ2 3.6Å; I218-W273 HydrophobicContact CG2-CZ3 4.02Å
219C98.4Very high96.8Very high0 Ų051.6 Ų51.60%028%0.275CS..Hα-helixtrans-61.3-36.7178.5-63.10000112.6I215 F216 I221 G223 P245 C247I215-C219 PolarHBondContact O-N 3.45Å; I215-C219 PolarHBondContact O-SG 3.46Å; F216-C219 PolarHBondContact O-N 3.33Å; C219-I221 PolarHBondContact O-N 3.45Å; C219-G223 CarbonylContact O-C 3.44Å; C219-G223 WeakPolarHBondContact O-CA 3.45Å; C219-G223 PolarHBondContact O-N 3.36Å; C219-P245 HydrophobicContact CB-CG 3.63Å; C219-C247 HydrophobicContact CB-CB 4.22Å; C219-C247 WeakPolarHBondContact O-CB 3.21Å
220A98Very high97Very high54 Ų5447.4 Ų47.445%0.44625%0.245SC..Hα-helixtrans-63.4-23.7-179.800000113.5F216 K217 I218F216-A220 WeakPolarHBondContact O-CB 3.4Å; F216-A220 PolarHBondContact O-N 2.98Å; K217-A220 PolarHBondContact O-N 3.15Å; I218-A220 VanDerWaalsContact C-N 3.3Å; I218-A220 PolarHBondContact O-N 3.13Å
221I97.9Very high97.2Very high27 Ų2748.3 Ų48.314%0.13825%0.25CC..Hα-helixtrans-103.8-50.6178.4-64.5178000110.8L205 F206 K217 I218 C219 G223 V250 L252 L255L205-I221 HydrophobicContact CD1-CD1 3.76Å; L205-I221 HydrophobicContact CG-CD1 4.3Å; F206-I221 HydrophobicContact CD1-CD1 3.99Å; F206-I221 HydrophobicContact CE1-CB 3.96Å; F206-I221 HydrophobicContact CE1-CD1 3.73Å; F206-I221 HydrophobicContact CE1-CG1 4.26Å; F206-I221 HydrophobicContact CE1-CG2 4.36Å; K217-I221 PolarHBondContact O-N 3.28Å; I218-I221 PolarHBondContact O-N 2.86Å; C219-I221 PolarHBondContact O-N 3.45Å; I221-G223 VanDerWaalsContact C-N 3.33Å; I221-V250 PolarHBondContact O-N 3.45Å; I221-L252 HydrophobicContact CG2-CD2 3.91Å; I221-L255 HydrophobicContact CD1-CD2 4.17Å; I221-L255 HydrophobicContact CG2-CD2 4.03Å
222L98.2Very high97.4Very high32 Ų3251.1 Ų51.117%0.16826%0.261CS..Hα-helixtrans-85.6-6.1-174.2-57.9-176.1000113.6W190 F206 I218 A249 L252 L271 W273W190-L222 HydrophobicContact CH2-CD1 3.52Å; W190-L222 HydrophobicContact CZ2-CD1 4.46Å; W190-L222 HydrophobicContact CZ3-CD1 4.07Å; F206-L222 HydrophobicContact CZ-CD1 4.23Å; F206-L222 HydrophobicContact CZ-CG 4.23Å; I218-L222 HydrophobicContact CG2-CD1 3.78Å; I218-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 PolarHBondContact O-N 2.86Å; L222-A249 WeakPolarHBondContact O-CB 3.42Å; L222-L252 HydrophobicContact CD2-CD2 4.32Å; L222-L271 HydrophobicContact CD1-CB 4.16Å; L222-L271 WeakPolarHBondContact CD1-O 3.31Å; L222-L271 HydrophobicContact CD2-CB 4.36Å; L222-W273 HydrophobicContact CB-CZ2 4.37Å
223G98.2Very high97.5Very high3 Ų346.9 Ų46.93%0.03124%0.239CC..  trans74.7169.9-169.100000112C219 I221 C247 W273C219-G223 CarbonylContact O-C 3.44Å; C219-G223 WeakPolarHBondContact O-CA 3.45Å; C219-G223 PolarHBondContact O-N 3.36Å; I221-G223 VanDerWaalsContact C-N 3.33Å; G223-C247 VanDerWaalsContact CA-O 3.31Å; G223-C247 WeakPolarHBondContact CA-O 3.48Å; G223-W273 VanDerWaalsContact O-CZ2 3.25Å; G223-W273 WeakPolarHBondContact O-CZ2 3.23Å; G223-W273 PolarHBondContact O-NE1 2.88Å
224T98.2Very high97.6Very high28 Ų2846.9 Ų46.917%0.17224%0.236CC..PPolyproline II helixtrans-71.4130.7175-51.40000109.9S226 F244 P245 Q246 C247T224-S226 PolarHBondContact O-N 3.49Å; T224-F244 HydrophobicContact CG2-CB 3.76Å; T224-F244 HydrophobicContact CG2-CG 4.49Å; T224-P245 WeakPolarHBondContact CB-O 3.41Å; T224-P245 VanDerWaalsContact CG2-O 3.27Å; T224-P245 WeakPolarHBondContact CG2-O 3.48Å; T224-P245 PolarHBondContact OG1-O 3.44Å; T224-Q246 WeakPolarHBondContact OG1-CA 3.26Å; T224-C247 PolarHBondContact N-O 3.1Å; T224-C247 PolarHBondContact OG1-N 3.46Å; T224-C247 PolarHBondContact OG1-O 3.02Å
225P97.8Very high97.6Very high0 Ų052.1 Ų52.10%026%0.261CS..PPolyproline II helixtrans-61.7140.4174.425.1-30.8000109.2W230 Y234 F244 W273P225-W230 HydrophobicContact CB-CB 4.46Å; P225-W230 HydrophobicContact CB-CE3 4.41Å; P225-W230 HydrophobicContact CG-CE3 4.36Å; P225-Y234 HydrophobicContact CG-CE2 4.49Å; P225-Y234 WeakPolarHBondContact O-CE2 3.39Å; P225-Y234 PolarHBondContact O-OH 3.06Å; P225-F244 HydrophobicContact CG-CD1 4.22Å; P225-F244 HydrophobicContact CG-CD2 4.38Å; P225-F244 HydrophobicContact CG-CE1 4.01Å; P225-F244 HydrophobicContact CG-CE2 4.17Å; P225-F244 HydrophobicContact CG-CG 4.39Å; P225-F244 HydrophobicContact CG-CZ 3.98Å; P225-W273 HydrophobicContact CB-CB 4.07Å; P225-W273 HydrophobicContact CB-CD2 3.76Å; P225-W273 HydrophobicContact CB-CE3 4.29Å; P225-W273 HydrophobicContact CB-CG 3.64Å; P225-W273 HydrophobicContact CG-CD2 3.87Å; P225-W273 HydrophobicContact CG-CE3 4Å; P225-W273 HydrophobicContact CG-CG 4.31Å; P225-W273 HydrophobicContact CG-CH2 4.43Å; P225-W273 HydrophobicContact CG-CZ2 4.33Å; P225-W273 HydrophobicContact CG-CZ3 4.27Å
226S96.8Very high97.6Very high53 Ų5353.1 Ų53.137%0.37127%0.266SS..PPolyproline II helixtrans-76157.2170.780.30000110.5T224 D228 E229 W230T224-S226 PolarHBondContact O-N 3.49Å; S226-D228 PolarHBondContact O-N 3.39Å; S226-D228 PolarHBondContact OG-N 2.7Å; S226-E229 PolarHBondContact O-N 2.76Å; S226-E229 VanDerWaalsContact OG-CB 3.28Å; S226-E229 WeakPolarHBondContact OG-CB 3.32Å; S226-E229 PolarHBondContact OG-N 2.78Å; S226-W230 PolarHBondContact O-N 2.79Å; S226-W230 VanDerWaalsContact O-N 3.11Å
227R96.3Very high97.6Very high164 Ų16448.9 Ų48.962%0.61925%0.248SC*.THydrogen-bonded Turntrans-61.4-30.7173.3-95.6-175.3-164.1-950.1112.3P231 Y234R227-P231 VanDerWaalsContact O-CA 3.24Å; R227-P231 WeakPolarHBondContact O-CA 3.31Å; R227-P231 WeakPolarHBondContact O-CD 3.46Å; R227-P231 WeakPolarHBondContact O-CG 3.39Å; R227-P231 VanDerWaalsContact O-N 3.11Å; R227-Y234 HydrophobicContact CB-CD2 4.33Å; R227-Y234 HydrophobicContact CB-CE2 4.26Å; R227-Y234 HydrophobicContact CG-CD1 3.75Å; R227-Y234 HydrophobicContact CG-CD2 3.58Å; R227-Y234 HydrophobicContact CG-CE1 3.84Å; R227-Y234 HydrophobicContact CG-CE2 3.68Å; R227-Y234 HydrophobicContact CG-CG 3.6Å
228D96.9Very high97.5Very high151 Ų15148.7 Ų48.781%0.80726%0.259SS*.THydrogen-bonded Turntrans-77.1-36.7-179.6-57.4-34.7000111.4S226S226-D228 PolarHBondContact O-N 3.39Å; S226-D228 PolarHBondContact OG-N 2.7Å
229E96.4Very high97.4Very high82 Ų8252.8 Ų52.838%0.38329%0.293SS..THydrogen-bonded Turntrans-67.6-44.9177.1-177.7-170.4-177.300111.5S226S226-E229 PolarHBondContact O-N 2.76Å; S226-E229 VanDerWaalsContact OG-CB 3.28Å; S226-E229 WeakPolarHBondContact OG-CB 3.32Å; S226-E229 PolarHBondContact OG-N 2.78Å
230W97.6Very high97.2Very high4 Ų455.5 Ų55.52%0.01531%0.306CS..  trans-140.270.6-176.7-167.134.8000113.8P174 E175 L178 P225 S226 K232 G233 Y234 L236 F244 W273 N274P174-W230 HydrophobicContact CB-CH2 3.56Å; P174-W230 HydrophobicContact CB-CZ3 3.72Å; E175-W230 HydrophobicContact CB-CH2 4.35Å; E175-W230 HydrophobicContact CB-CZ2 3.89Å; L178-W230 HydrophobicContact CD1-CH2 3.55Å; L178-W230 HydrophobicContact CD1-CZ3 3.81Å; P225-W230 HydrophobicContact CB-CB 4.46Å; P225-W230 HydrophobicContact CB-CE3 4.41Å; P225-W230 HydrophobicContact CG-CE3 4.36Å; S226-W230 PolarHBondContact O-N 2.79Å; S226-W230 VanDerWaalsContact O-N 3.11Å; W230-K232 PolarHBondContact O-N 2.91Å; W230-G233 VanDerWaalsContact CD2-CA 3.42Å; W230-G233 PolarHBondContact O-N 2.76Å; W230-Y234 PolarHBondContact O-N 3.24Å; W230-L236 HydrophobicContact CZ2-CD1 4.45Å; W230-F244 HydrophobicContact CZ3-CZ 4.16Å; W230-W273 HydrophobicContact CB-CB 4.36Å; W230-W273 HydrophobicContact CD2-CB 4.42Å; W230-W273 HydrophobicContact CE3-CB 4.07Å; W230-W273 HydrophobicContact CE3-CD2 4.46Å; W230-W273 AromaticContact CE3-CE3 3.78Å; W230-W273 HydrophobicContact CE3-CE3 3.78Å; W230-W273 AromaticContact CZ3-CE3 3.58Å; W230-W273 HydrophobicContact CZ3-CE3 3.58Å; W230-W273 HydrophobicContact CZ3-CZ3 4.07Å; W230-N274 HydrophobicContact CB-CB 4.36Å; W230-N274 HydrophobicContact CG-CB 4.27Å
231P97.4Very high97.1Very high69 Ų6960.7 Ų60.745%0.44833%0.326SS..Hα-helixtrans-56.5-38.2-179.4-19.625.3000112.7R227 G233 Y234 Q235R227-P231 VanDerWaalsContact O-CA 3.24Å; R227-P231 WeakPolarHBondContact O-CA 3.31Å; R227-P231 WeakPolarHBondContact O-CD 3.46Å; R227-P231 WeakPolarHBondContact O-CG 3.39Å; R227-P231 VanDerWaalsContact O-N 3.11Å; P231-G233 VanDerWaalsContact C-N 3.33Å; P231-G233 PolarHBondContact O-N 2.75Å; P231-Y234 PolarHBondContact O-N 3.31Å; P231-Q235 PolarHBondContact O-N 3.42Å
232K96.9Very high97Very high113 Ų11360.6 Ų60.649%0.49133%0.325SS..Hα-helixtrans-67.1-33.8-179.7-169.361.2-180-179.20112.5W230 Y234 Q235 L236W230-K232 PolarHBondContact O-N 2.91Å; K232-Y234 VanDerWaalsContact C-N 3.32Å; K232-Y234 PolarHBondContact O-N 2.81Å; K232-Q235 HydrophobicContact CD-CB 4.43Å; K232-Q235 VanDerWaalsContact CD-OE1 3.22Å; K232-Q235 WeakPolarHBondContact O-CB 3.38Å; K232-Q235 PolarHBondContact O-N 3.12Å; K232-L236 WeakPolarHBondContact O-CG 3.34Å; K232-L236 PolarHBondContact O-N 3.21Å
233G97.5Very high96.9Very high0 Ų069.9 Ų69.90%036%0.358CS..Hα-helixtrans-59.8-42.6174.700000112.2W230 P231 Q235 L236 A237W230-G233 VanDerWaalsContact CD2-CA 3.42Å; W230-G233 PolarHBondContact O-N 2.76Å; P231-G233 VanDerWaalsContact C-N 3.33Å; P231-G233 PolarHBondContact O-N 2.75Å; G233-Q235 VanDerWaalsContact C-N 3.33Å; G233-Q235 PolarHBondContact O-N 3.16Å; G233-L236 PolarHBondContact O-N 3.32Å; G233-A237 WeakPolarHBondContact O-CB 3.49Å; G233-A237 PolarHBondContact O-N 3.41Å
234Y97.9Very high96.9Very high42 Ų4270.4 Ų70.417%0.16536%0.359CS..Hα-helixtrans-64.8-34.7175.3-83.6-94.6000113.2P225 R227 W230 P231 K232 A238 F244P225-Y234 HydrophobicContact CG-CE2 4.49Å; P225-Y234 WeakPolarHBondContact O-CE2 3.39Å; P225-Y234 PolarHBondContact O-OH 3.06Å; R227-Y234 HydrophobicContact CB-CD2 4.33Å; R227-Y234 HydrophobicContact CB-CE2 4.26Å; R227-Y234 HydrophobicContact CG-CD1 3.75Å; R227-Y234 HydrophobicContact CG-CD2 3.58Å; R227-Y234 HydrophobicContact CG-CE1 3.84Å; R227-Y234 HydrophobicContact CG-CE2 3.68Å; R227-Y234 HydrophobicContact CG-CG 3.6Å; W230-Y234 PolarHBondContact O-N 3.24Å; P231-Y234 PolarHBondContact O-N 3.31Å; K232-Y234 VanDerWaalsContact C-N 3.32Å; K232-Y234 PolarHBondContact O-N 2.81Å; Y234-A238 WeakPolarHBondContact O-CB 3.38Å; Y234-A238 PolarHBondContact O-N 2.94Å; Y234-F244 HydrophobicContact CD1-CD2 4.47Å; Y234-F244 HydrophobicContact CD2-CE2 4.43Å; Y234-F244 HydrophobicContact CE1-CD2 4.2Å; Y234-F244 HydrophobicContact CE2-CD2 4.47Å; Y234-F244 HydrophobicContact CE2-CE2 4.49Å
235Q97.4Very high96.8Very high111 Ų11170.2 Ų70.252%0.51936%0.358SS..Hα-helixtrans-65.6-44.1173.7-63.8174.912.500111.5P231 K232 G233 A238 A239P231-Q235 PolarHBondContact O-N 3.42Å; K232-Q235 HydrophobicContact CD-CB 4.43Å; K232-Q235 VanDerWaalsContact CD-OE1 3.22Å; K232-Q235 WeakPolarHBondContact O-CB 3.38Å; K232-Q235 PolarHBondContact O-N 3.12Å; G233-Q235 VanDerWaalsContact C-N 3.33Å; G233-Q235 PolarHBondContact O-N 3.16Å; Q235-A238 PolarHBondContact O-N 2.85Å; Q235-A239 PolarHBondContact O-N 3.42Å
236L97.1Very high96.8Very high25 Ų2577.9 Ų77.913%0.13139%0.394CS..Hα-helixtrans-65.2-44.3178.2-66.7168.2000111.6L178 W230 K232 G233 A238 A239 M240L178-L236 HydrophobicContact CB-CB 3.79Å; L178-L236 HydrophobicContact CB-CD1 4.33Å; L178-L236 HydrophobicContact CD1-CB 4.27Å; W230-L236 HydrophobicContact CZ2-CD1 4.45Å; K232-L236 WeakPolarHBondContact O-CG 3.34Å; K232-L236 PolarHBondContact O-N 3.21Å; G233-L236 PolarHBondContact O-N 3.32Å; L236-A238 PolarHBondContact O-N 3.47Å; L236-A239 PolarHBondContact O-N 3.01Å; L236-M240 PolarHBondContact O-N 3.04Å
237A97.5Very high96.8Very high2 Ų277.3 Ų77.32%0.01739%0.39CS..Hα-helixtrans-58.6-47.4175.400000111.7L178 G233 A239 M240 N241 F242 F244L178-A237 HydrophobicContact CD2-CB 4.18Å; G233-A237 WeakPolarHBondContact O-CB 3.49Å; G233-A237 PolarHBondContact O-N 3.41Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-A239 PolarHBondContact O-N 3.46Å; A237-M240 CarbonylContact O-C 3.56Å; A237-M240 PolarHBondContact O-N 2.94Å; A237-N241 PolarHBondContact O-N 3.24Å; A237-F242 CarbonylContact C-O 3.49Å; A237-F242 HydrophobicContact CB-CB 4.48Å; A237-F242 HydrophobicContact CB-CD1 3.91Å; A237-F242 PolarHBondContact O-N 2.66Å; A237-F244 HydrophobicContact CB-CD2 4.32Å; A237-F244 HydrophobicContact CB-CE2 3.78Å; A237-F244 HydrophobicContact CB-CZ 4.3Å
238A96.9Very high96.8Very high63 Ų6376 Ų7652%0.52140%0.4SS..Hα-helixtrans-60.4-39.917700000112.5Y234 Q235 L236 M240 N241Y234-A238 WeakPolarHBondContact O-CB 3.38Å; Y234-A238 PolarHBondContact O-N 2.94Å; Q235-A238 PolarHBondContact O-N 2.85Å; L236-A238 PolarHBondContact O-N 3.47Å; A238-M240 PolarHBondContact O-N 2.93Å; A238-N241 PolarHBondContact O-N 3.19Å
239A96Very high96.8Very high86 Ų8671.3 Ų71.371%0.71138%0.382SS*.Hα-helixtrans-63.2-20.6176.500000113.5Q235 L236 A237Q235-A239 PolarHBondContact O-N 3.42Å; L236-A239 PolarHBondContact O-N 3.01Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-A239 PolarHBondContact O-N 3.46Å
240M94.5Very high96.9Very high56 Ų5670.3 Ų70.328%0.27638%0.382SS..THydrogen-bonded Turntrans-99.17.2174.2-66.8179.457.200113.3L178 R179 L236 A237 A238 F242L178-M240 VanDerWaalsContact CA-SD 3.56Å; L178-M240 HydrophobicContact CB-SD 4.44Å; L178-M240 HydrophobicContact CD2-SD 4.49Å; L178-M240 VanDerWaalsContact O-SD 3.4Å; R179-M240 HydrophobicContact CB-SD 3.94Å; R179-M240 HydrophobicContact CG-CE 3.99Å; R179-M240 HydrophobicContact CG-SD 3.71Å; L236-M240 PolarHBondContact O-N 3.04Å; A237-M240 CarbonylContact O-C 3.56Å; A237-M240 PolarHBondContact O-N 2.94Å; A238-M240 PolarHBondContact O-N 2.93Å; M240-F242 HydrophobicContact CB-CB 4.28Å; M240-F242 PolarHBondContact O-N 2.95Å
241N96Very high96.8Very high163 Ų16373 Ų7387%0.87240%0.399SS*.THydrogen-bonded Turntrans52.331.5-168.8-66.2-47.9000113.1A237 A238A237-N241 PolarHBondContact O-N 3.24Å; A238-N241 PolarHBondContact O-N 3.19Å
242F96Very high96.8Very high25 Ų2570 Ų7011%0.1138%0.38CS..  trans-99.9138.3179.2177.8-104.8000110.4L178 I212 I215 F216 A237 M240 F244L178-F242 HydrophobicContact CD2-CD1 3.99Å; L178-F242 HydrophobicContact CD2-CE1 4.46Å; I212-F242 HydrophobicContact CG2-CD2 4.5Å; I212-F242 HydrophobicContact CG2-CE2 4.03Å; I215-F242 HydrophobicContact CB-CZ 4.26Å; I215-F242 HydrophobicContact CD1-CE1 4.34Å; I215-F242 HydrophobicContact CG2-CE1 3.71Å; I215-F242 HydrophobicContact CG2-CZ 3.68Å; F216-F242 AromaticContact CE2-CE2 3.92Å; F216-F242 HydrophobicContact CE2-CE2 3.92Å; F216-F242 HydrophobicContact CE2-CZ 4.4Å; A237-F242 CarbonylContact C-O 3.49Å; A237-F242 HydrophobicContact CB-CB 4.48Å; A237-F242 HydrophobicContact CB-CD1 3.91Å; A237-F242 PolarHBondContact O-N 2.66Å; M240-F242 HydrophobicContact CB-CB 4.28Å; M240-F242 PolarHBondContact O-N 2.95Å; F242-F244 AromaticContact CE1-CD1 3.73Å; F242-F244 HydrophobicContact CE1-CD1 3.73Å; F242-F244 HydrophobicContact CE1-CE1 4.06Å; F242-F244 HydrophobicContact CE1-CG 4.05Å; F242-F244 HydrophobicContact CZ-CD1 4.5Å
243R96.1Very high96.7Very high227 Ų22768.6 Ų68.686%0.85738%0.375SS*.  trans-117.4130.8169.7-66-174.9-177.2-1601.4108.2
244F97.4Very high96.7Very high15 Ų1576 Ų767%0.06641%0.407CS..  trans-61.2140.1175-69-81000110.8L178 I215 T224 P225 W230 Y234 A237 F242 W273L178-F244 HydrophobicContact CD1-CE1 4.41Å; L178-F244 HydrophobicContact CD1-CZ 3.75Å; I215-F244 HydrophobicContact CG2-CD1 4.03Å; I215-F244 HydrophobicContact CG2-CE1 3.93Å; T224-F244 HydrophobicContact CG2-CB 3.76Å; T224-F244 HydrophobicContact CG2-CG 4.49Å; P225-F244 HydrophobicContact CG-CD1 4.22Å; P225-F244 HydrophobicContact CG-CD2 4.38Å; P225-F244 HydrophobicContact CG-CE1 4.01Å; P225-F244 HydrophobicContact CG-CE2 4.17Å; P225-F244 HydrophobicContact CG-CG 4.39Å; P225-F244 HydrophobicContact CG-CZ 3.98Å; W230-F244 HydrophobicContact CZ3-CZ 4.16Å; Y234-F244 HydrophobicContact CD1-CD2 4.47Å; Y234-F244 HydrophobicContact CD2-CE2 4.43Å; Y234-F244 HydrophobicContact CE1-CD2 4.2Å; Y234-F244 HydrophobicContact CE2-CD2 4.47Å; Y234-F244 HydrophobicContact CE2-CE2 4.49Å; A237-F244 HydrophobicContact CB-CD2 4.32Å; A237-F244 HydrophobicContact CB-CE2 3.78Å; A237-F244 HydrophobicContact CB-CZ 4.3Å; F242-F244 AromaticContact CE1-CD1 3.73Å; F242-F244 HydrophobicContact CE1-CD1 3.73Å; F242-F244 HydrophobicContact CE1-CE1 4.06Å; F242-F244 HydrophobicContact CE1-CG 4.05Å; F242-F244 HydrophobicContact CZ-CD1 4.5Å; F244-W273 HydrophobicContact CE1-CH2 4.33Å; F244-W273 HydrophobicContact CE1-CZ3 4.05Å
245P96.6Very high96.5Very high23 Ų2376 Ų7615%0.14941%0.41CS..  trans-61.3158.1166.930.5-36.1000109.7F216 C219 T224F216-P245 HydrophobicContact CD1-CB 3.89Å; F216-P245 HydrophobicContact CD1-CG 3.71Å; F216-P245 HydrophobicContact CE1-CB 3.66Å; F216-P245 HydrophobicContact CE1-CG 3.88Å; F216-P245 HydrophobicContact CG-CG 4.32Å; C219-P245 HydrophobicContact CB-CG 3.63Å; T224-P245 WeakPolarHBondContact CB-O 3.41Å; T224-P245 VanDerWaalsContact CG2-O 3.27Å; T224-P245 WeakPolarHBondContact CG2-O 3.48Å; T224-P245 PolarHBondContact OG1-O 3.44Å
246Q96.9Very high96.4Very high161 Ų16171 Ų7175%0.75239%0.386SS*.  trans-93.5109.5171.6-62.4-56.2-58.700108.7T224T224-Q246 WeakPolarHBondContact OG1-CA 3.26Å
247C97.3Very high96.1Very high42 Ų4275.6 Ų75.628%0.28442%0.415SS..  trans-133.3136.7-175-61.40000109.5C219 G223 T224C219-C247 HydrophobicContact CB-CB 4.22Å; C219-C247 WeakPolarHBondContact O-CB 3.21Å; G223-C247 VanDerWaalsContact CA-O 3.31Å; G223-C247 WeakPolarHBondContact CA-O 3.48Å; T224-C247 PolarHBondContact N-O 3.1Å; T224-C247 PolarHBondContact OG1-N 3.46Å; T224-C247 PolarHBondContact OG1-O 3.02Å
248V97.1Very high95.5Very high135 Ų13578.8 Ų78.882%0.81845%0.449SS*.PPolyproline II helixtrans-84.9134.3170.4-178.90000108.3
249A97.4Very high95.4Very high54 Ų5476.8 Ų76.845%0.44643%0.432SS..PPolyproline II helixtrans-61.3137.3177.900000111.6L222L222-A249 WeakPolarHBondContact O-CB 3.42Å
250V97.1Very high95.4Very high61 Ų6174.4 Ų74.437%0.3741%0.41SS..PPolyproline II helixtrans-88.1123.6169-179.60000107.7I221 L252I221-V250 PolarHBondContact O-N 3.45Å; V250-L252 PolarHBondContact O-N 3.3Å; V250-L252 VanDerWaalsContact O-N 3.17Å
251P96.6Very high95.5Very high59 Ų5977.8 Ų77.838%0.38343%0.425SS..PPolyproline II helixtrans-55.9123.3174.8-24.733.5000110.7E253 K254P251-E253 WeakPolarHBondContact CB-OE2 3.48Å; P251-E253 PolarHBondContact O-N 2.89Å; P251-E253 VanDerWaalsContact O-N 3.17Å; P251-K254 HydrophobicContact CB-CD 4.42Å; P251-K254 HydrophobicContact CB-CG 4.26Å; P251-K254 HydrophobicContact CG-CD 4.26Å; P251-K254 WeakPolarHBondContact O-CB 3.26Å; P251-K254 PolarHBondContact O-N 3.46Å
252L96.7Very high95.6Very high8 Ų872.8 Ų72.84%0.04240%0.398CS..Hα-helixtrans-61.6-26.9-176-69.1-175.1000112.1I221 L222 V250 K254 L255 I256 I264 L267 Q268 L271I221-L252 HydrophobicContact CG2-CD2 3.91Å; L222-L252 HydrophobicContact CD2-CD2 4.32Å; V250-L252 PolarHBondContact O-N 3.3Å; V250-L252 VanDerWaalsContact O-N 3.17Å; L252-K254 PolarHBondContact O-N 2.86Å; L252-L255 HydrophobicContact CD2-CD2 4.49Å; L252-L255 PolarHBondContact O-N 3.21Å; L252-L255 VanDerWaalsContact O-N 3.1Å; L252-I256 PolarHBondContact O-N 2.85Å; L252-I264 HydrophobicContact CB-CD1 4.41Å; L252-I264 HydrophobicContact CB-CG2 4.03Å; L252-L267 HydrophobicContact CD1-CB 4.06Å; L252-Q268 HydrophobicContact CD1-CG 3.86Å; L252-L271 HydrophobicContact CD1-CD1 4.5Å
253E96Very high95.7Very high82 Ų8271.6 Ų71.638%0.38339%0.393SS..Hα-helixtrans-57.9-33.9172.9-58.677.3-175.900112.2P251 I264P251-E253 WeakPolarHBondContact CB-OE2 3.48Å; P251-E253 PolarHBondContact O-N 2.89Å; P251-E253 VanDerWaalsContact O-N 3.17Å; E253-I264 VanDerWaalsContact CD-CG2 3.49Å; E253-I264 HydrophobicContact CG-CB 4.39Å; E253-I264 HydrophobicContact CG-CG1 4.12Å; E253-I264 HydrophobicContact CG-CG2 3.87Å; E253-I264 WeakPolarHBondContact OE1-CG2 3.4Å
254K95.7Very high95.8Very high157 Ų15760.9 Ų60.968%0.68335%0.353SS*.Hα-helixtrans-78.5-28.3177.7-66.9-175.2178.6-179.40112.2P251 L252P251-K254 HydrophobicContact CB-CD 4.42Å; P251-K254 HydrophobicContact CB-CG 4.26Å; P251-K254 HydrophobicContact CG-CD 4.26Å; P251-K254 WeakPolarHBondContact O-CB 3.26Å; P251-K254 PolarHBondContact O-N 3.46Å; L252-K254 PolarHBondContact O-N 2.86Å
255L95.2Very high95.8Very high42 Ų4262.5 Ų62.522%0.2236%0.361CS..Hα-helixtrans-81.9-43.7179.8-174.265.4000111.2L201 L205 I221 L252 V257L201-L255 HydrophobicContact CD1-CD2 4.21Å; L201-L255 HydrophobicContact CD1-CG 4.28Å; L201-L255 HydrophobicContact CD2-CD1 4.44Å; L201-L255 HydrophobicContact CD2-CG 4.11Å; L201-L255 WeakPolarHBondContact CD2-O 3.28Å; L205-L255 HydrophobicContact CD1-CD2 3.65Å; I221-L255 HydrophobicContact CD1-CD2 4.17Å; I221-L255 HydrophobicContact CG2-CD2 4.03Å; L252-L255 HydrophobicContact CD2-CD2 4.49Å; L252-L255 PolarHBondContact O-N 3.21Å; L252-L255 VanDerWaalsContact O-N 3.1Å; L255-V257 PolarHBondContact O-N 3.24Å
256I94.8Very high95.9Very high4 Ų461.4 Ų61.42%0.02135%0.354CS..SBendtrans-105.469.1-173.1-55.7177.9000108.6A197 Y200 L201 L252 G258 A259 I264 L267A197-I256 HydrophobicContact CB-CD1 4.03Å; Y200-I256 HydrophobicContact CD1-CG2 3.62Å; Y200-I256 HydrophobicContact CD2-CG2 3.97Å; Y200-I256 HydrophobicContact CE1-CG2 4.28Å; Y200-I256 HydrophobicContact CG-CG2 3.44Å; Y200-I256 VanDerWaalsContact CG-CG2 3.44Å; L201-I256 HydrophobicContact CD2-CG1 4.27Å; L201-I256 HydrophobicContact CG-CG1 4.48Å; L252-I256 PolarHBondContact O-N 2.85Å; I256-G258 PolarHBondContact O-N 3.24Å; I256-A259 HydrophobicContact CB-CB 4.44Å; I256-A259 HydrophobicContact CG2-CB 3.62Å; I256-A259 WeakPolarHBondContact O-CB 3.35Å; I256-A259 PolarHBondContact O-N 2.75Å; I256-I264 HydrophobicContact CB-CD1 4.11Å; I256-I264 HydrophobicContact CG2-CD1 4.5Å; I256-L267 HydrophobicContact CD1-CD1 3.3Å
257V90.1Very high96Very high122 Ų12253.7 Ų53.774%0.73932%0.318SS*.THydrogen-bonded Turntrans-62.4131.2-176.3-174.60000110.1L255L255-V257 PolarHBondContact O-N 3.24Å
258G85.6Confident96Very high70 Ų7055.9 Ų55.972%0.72232%0.324SS*.THydrogen-bonded Turntrans88.3-2.3179.200000115.1I256I256-G258 PolarHBondContact O-N 3.24Å
259A95.2Very high96.1Very high20 Ų2053.2 Ų53.217%0.16530%0.303CS..  trans-73.7139.5167.300000111.1Y200 I256 V263 I264Y200-A259 HydrophobicContact CD1-CB 4.34Å; Y200-A259 HydrophobicContact CE1-CB 3.8Å; I256-A259 HydrophobicContact CB-CB 4.44Å; I256-A259 HydrophobicContact CG2-CB 3.62Å; I256-A259 WeakPolarHBondContact O-CB 3.35Å; I256-A259 PolarHBondContact O-N 2.75Å; A259-V263 HydrophobicContact CB-CB 4.16Å; A259-V263 HydrophobicContact CB-CG1 3.86Å; A259-I264 HydrophobicContact CB-CD1 3.85Å; A259-I264 HydrophobicContact CB-CG1 4.23Å
260S96.1Very high96.1Very high36 Ų3650.6 Ų50.625%0.25228%0.282SS..  trans-66.6157.4171.863.10000111.5Q105 D262 V263 I264Q105-S260 VanDerWaalsContact NE2-CB 3.31Å; Q105-S260 PolarHBondContact NE2-OG 2.92Å; Q105-S260 PolarHBondContact OE1-OG 3.07Å; S260-D262 VanDerWaalsContact C-N 3.25Å; S260-D262 PolarHBondContact O-N 3.41Å; S260-V263 WeakPolarHBondContact O-CB 3.45Å; S260-V263 PolarHBondContact O-N 3.27Å; S260-V263 WeakPolarHBondContact OG-CG2 3.44Å; S260-I264 PolarHBondContact O-N 3.03Å
261H96.7Very high96.2Very high127 Ų12748 Ų4859%0.58827%0.265SS*.Hα-helixtrans-51.5-41.4175.5-171.759.8000113.7V263 I264 I265H261-V263 VanDerWaalsContact C-N 3.29Å; H261-V263 PolarHBondContact O-N 3.36Å; H261-I264 PolarHBondContact O-N 3.28Å; H261-I264 VanDerWaalsContact O-N 3.1Å; H261-I265 WeakPolarHBondContact NE2-CD1 3.36Å; H261-I265 WeakPolarHBondContact O-CG1 3.44Å; H261-I265 PolarHBondContact O-N 2.86Å
262D97.3Very high96.3Very high58 Ų5846.3 Ų46.331%0.3126%0.255SS..Hα-helixtrans-60.5-37178.8-64.9-43000113.3S260 L266 N287 P288 C289S260-D262 VanDerWaalsContact C-N 3.25Å; S260-D262 PolarHBondContact O-N 3.41Å; D262-L266 PolarHBondContact O-N 2.84Å; D262-N287 PolarHBondContact O-ND2 2.59Å; D262-N287 PolarHBondContact O-OD1 3.19Å; D262-P288 HydrophobicContact CB-CB 4.39Å; D262-C289 HydrophobicContact CB-CB 3.8Å
263V97.8Very high96.4Very high0 Ų046.3 Ų46.30%026%0.255CS..Hα-helixtrans-68.2-42.4176.2166.60000110.3Q105 M196 Y200 A259 S260 H261 L266 L267 C289Q105-V263 HydrophobicContact CG-CG2 4.33Å; M196-V263 HydrophobicContact CE-CB 4.39Å; M196-V263 HydrophobicContact CE-CG1 3.67Å; M196-V263 HydrophobicContact CE-CG2 4.13Å; Y200-V263 HydrophobicContact CE2-CG1 3.84Å; A259-V263 HydrophobicContact CB-CB 4.16Å; A259-V263 HydrophobicContact CB-CG1 3.86Å; S260-V263 WeakPolarHBondContact O-CB 3.45Å; S260-V263 PolarHBondContact O-N 3.27Å; S260-V263 WeakPolarHBondContact OG-CG2 3.44Å; H261-V263 VanDerWaalsContact C-N 3.29Å; H261-V263 PolarHBondContact O-N 3.36Å; V263-L266 WeakPolarHBondContact O-CB 3.32Å; V263-L266 PolarHBondContact O-N 3.33Å; V263-L267 HydrophobicContact CG1-CD1 3.98Å; V263-L267 HydrophobicContact CG1-CG 4.49Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.11Å; V263-C289 HydrophobicContact CG2-CB 3.64Å
264I98.2Very high96.5Very high2 Ų243.6 Ų43.61%0.0124%0.243CC..Hα-helixtrans-64.9-42.9179.3-59.1-63.7000110.8L252 E253 I256 A259 S260 H261 L266 L267 Q268L252-I264 HydrophobicContact CB-CD1 4.41Å; L252-I264 HydrophobicContact CB-CG2 4.03Å; E253-I264 VanDerWaalsContact CD-CG2 3.49Å; E253-I264 HydrophobicContact CG-CB 4.39Å; E253-I264 HydrophobicContact CG-CG1 4.12Å; E253-I264 HydrophobicContact CG-CG2 3.87Å; E253-I264 WeakPolarHBondContact OE1-CG2 3.4Å; I256-I264 HydrophobicContact CB-CD1 4.11Å; I256-I264 HydrophobicContact CG2-CD1 4.5Å; A259-I264 HydrophobicContact CB-CD1 3.85Å; A259-I264 HydrophobicContact CB-CG1 4.23Å; S260-I264 PolarHBondContact O-N 3.03Å; H261-I264 PolarHBondContact O-N 3.28Å; H261-I264 VanDerWaalsContact O-N 3.1Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 3.03Å; I264-L267 PolarHBondContact O-N 3.5Å; I264-Q268 HydrophobicContact CG2-CG 4.42Å; I264-Q268 WeakPolarHBondContact O-CG 3.5Å; I264-Q268 PolarHBondContact O-N 3.15Å
265I97.8Very high96.6Very high49 Ų4937.4 Ų37.425%0.25122%0.219SC..Hα-helixtrans-56.2-47.8172.4-70.6167.3000110.7H261 L267 Q268 Q269H261-I265 WeakPolarHBondContact NE2-CD1 3.36Å; H261-I265 WeakPolarHBondContact O-CG1 3.44Å; H261-I265 PolarHBondContact O-N 2.86Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 3.37Å; I265-Q268 PolarHBondContact O-N 3.2Å; I265-Q269 HydrophobicContact CG2-CG 4.48Å; I265-Q269 VanDerWaalsContact O-CG 3.3Å; I265-Q269 WeakPolarHBondContact O-CG 3.04Å; I265-Q269 PolarHBondContact O-N 2.65Å
266L98.4Very high96.7Very high0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-59.6-44.2179.2-179.760.5000111.5M196 D262 V263 I264 Q269 L270 A284 N287 F290M196-L266 HydrophobicContact CE-CD2 4.15Å; M196-L266 HydrophobicContact SD-CD2 3.88Å; D262-L266 PolarHBondContact O-N 2.84Å; V263-L266 WeakPolarHBondContact O-CB 3.32Å; V263-L266 PolarHBondContact O-N 3.33Å; I264-L266 VanDerWaalsContact C-N 3.33Å; I264-L266 PolarHBondContact O-N 3.03Å; L266-Q269 PolarHBondContact O-N 2.95Å; L266-L270 HydrophobicContact CD1-CD1 4.04Å; L266-L270 HydrophobicContact CD1-CG 4.06Å; L266-L270 HydrophobicContact CD2-CD1 4.43Å; L266-L270 HydrophobicContact CG-CD1 3.88Å; L266-L270 HydrophobicContact CG-CG 4.29Å; L266-L270 VanDerWaalsContact O-CG 3.32Å; L266-L270 WeakPolarHBondContact O-CG 3.24Å; L266-L270 PolarHBondContact O-N 2.92Å; L266-A284 HydrophobicContact CD1-CB 4.13Å; L266-N287 HydrophobicContact CD1-CB 4.18Å; L266-F290 HydrophobicContact CD2-CE1 4.22Å; L266-F290 HydrophobicContact CD2-CE2 3.76Å; L266-F290 HydrophobicContact CD2-CZ 3.36Å
267L98.5Very high96.8Very high0 Ų046.9 Ų46.90%027%0.27CS..Hα-helixtrans-64.4-42.6179.3-75.8170000112G193 M196 A197 L252 I256 V263 I264 I265 Q269 L270 L271G193-L267 WeakPolarHBondContact O-CD2 3.32Å; M196-L267 HydrophobicContact CB-CD2 3.93Å; M196-L267 HydrophobicContact CG-CD2 4.02Å; M196-L267 HydrophobicContact SD-CD2 3.96Å; M196-L267 HydrophobicContact SD-CG 4.18Å; A197-L267 HydrophobicContact CB-CD2 4.27Å; L252-L267 HydrophobicContact CD1-CB 4.06Å; I256-L267 HydrophobicContact CD1-CD1 3.3Å; V263-L267 HydrophobicContact CG1-CD1 3.98Å; V263-L267 HydrophobicContact CG1-CG 4.49Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.11Å; I264-L267 PolarHBondContact O-N 3.5Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 3.37Å; L267-Q269 VanDerWaalsContact C-N 3.28Å; L267-Q269 PolarHBondContact O-N 3.26Å; L267-L270 PolarHBondContact O-N 3.35Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.42Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 2.97Å
268Q98.2Very high97.2Very high87 Ų8741.7 Ų41.741%0.40724%0.237SC..Hα-helixtrans-58.8-41.4174.4-70.6170.2-12.400111.5L252 I264 I265 L271 S272L252-Q268 HydrophobicContact CD1-CG 3.86Å; I264-Q268 HydrophobicContact CG2-CG 4.42Å; I264-Q268 WeakPolarHBondContact O-CG 3.5Å; I264-Q268 PolarHBondContact O-N 3.15Å; I265-Q268 PolarHBondContact O-N 3.2Å; Q268-L271 CarbonylContact O-C 3.56Å; Q268-S272 PolarHBondContact O-N 3.44Å; Q268-S272 PolarHBondContact O-OG 3.37Å
269Q98.5Very high97.8Very high79 Ų7939.1 Ų39.137%0.36921%0.208SC..Hα-helixtrans-67.1-44.8176.9-71174.1-17.900112.5I265 L266 L267 L271 S272 P279I265-Q269 HydrophobicContact CG2-CG 4.48Å; I265-Q269 VanDerWaalsContact O-CG 3.3Å; I265-Q269 WeakPolarHBondContact O-CG 3.04Å; I265-Q269 PolarHBondContact O-N 2.65Å; L266-Q269 PolarHBondContact O-N 2.95Å; L267-Q269 VanDerWaalsContact C-N 3.28Å; L267-Q269 PolarHBondContact O-N 3.26Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; Q269-S272 PolarHBondContact O-OG 3.09Å; Q269-P279 HydrophobicContact CB-CG 4.08Å; Q269-P279 WeakPolarHBondContact O-CD 3.38Å
270L98.8Very high97.9Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-68.8-32.6179.3-68.3175.2000112.3L189 W190 V192 L266 L267 R278 P279 A284L189-L270 HydrophobicContact CB-CD2 4.03Å; L189-L270 HydrophobicContact CD1-CD2 4.13Å; W190-L270 WeakPolarHBondContact CA-O 3.39Å; V192-L270 HydrophobicContact CG1-CD1 4.21Å; L266-L270 HydrophobicContact CD1-CD1 4.04Å; L266-L270 HydrophobicContact CD1-CG 4.06Å; L266-L270 HydrophobicContact CD2-CD1 4.43Å; L266-L270 HydrophobicContact CG-CD1 3.88Å; L266-L270 HydrophobicContact CG-CG 4.29Å; L266-L270 VanDerWaalsContact O-CG 3.32Å; L266-L270 WeakPolarHBondContact O-CG 3.24Å; L266-L270 PolarHBondContact O-N 2.92Å; L267-L270 PolarHBondContact O-N 3.35Å; L270-R278 WeakPolarHBondContact O-CD 3.35Å; L270-P279 HydrophobicContact CD2-CG 4.24Å; L270-A284 HydrophobicContact CD2-CB 4.34Å
271L98.7Very high98.1Very high5 Ų538.7 Ų38.73%0.02621%0.206CC..THydrogen-bonded Turntrans-97.823.1-178.8-60.9174.6000113.1W190 L205 F206 L222 L252 L267 Q268 Q269W190-L271 HydrophobicContact CD2-CD2 4.09Å; W190-L271 HydrophobicContact CE3-CD2 4.19Å; W190-L271 HydrophobicContact CH2-CD2 4.49Å; W190-L271 HydrophobicContact CZ2-CD2 4.36Å; W190-L271 HydrophobicContact CZ3-CB 4.27Å; W190-L271 HydrophobicContact CZ3-CD2 4.41Å; W190-L271 VanDerWaalsContact CZ3-O 3.27Å; W190-L271 WeakPolarHBondContact CZ3-O 3.46Å; L205-L271 HydrophobicContact CD2-CD1 3.72Å; F206-L271 HydrophobicContact CE2-CD2 4.29Å; L222-L271 HydrophobicContact CD1-CB 4.16Å; L222-L271 WeakPolarHBondContact CD1-O 3.31Å; L222-L271 HydrophobicContact CD2-CB 4.36Å; L252-L271 HydrophobicContact CD1-CD1 4.5Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.42Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 2.97Å; Q268-L271 CarbonylContact O-C 3.56Å; Q269-L271 VanDerWaalsContact C-N 3.33Å
272S98.5Very high98.1Very high25 Ų2536.7 Ų36.718%0.17520%0.203CC..  trans-66.8139.9174.7-64.80000111.6Q268 Q269 R278Q268-S272 PolarHBondContact O-N 3.44Å; Q268-S272 PolarHBondContact O-OG 3.37Å; Q269-S272 PolarHBondContact O-OG 3.09Å; S272-R278 PolarHBondContact O-NE 2.95Å; S272-R278 PolarHBondContact O-NH2 2.89Å
273W98.3Very high98.2Very high7 Ų739.1 Ų39.13%0.02721%0.212CC..SBendtrans-61.8-51.3179.5-79.4107.9000111.9P174 I218 L222 G223 P225 W230 F244 P275 R278P174-W273 HydrophobicContact CB-CE3 3.74Å; P174-W273 HydrophobicContact CB-CZ3 3.7Å; P174-W273 HydrophobicContact CG-CE3 3.68Å; P174-W273 HydrophobicContact CG-CZ3 3.75Å; I218-W273 HydrophobicContact CB-CH2 4.11Å; I218-W273 HydrophobicContact CG2-CH2 3.39Å; I218-W273 HydrophobicContact CG2-CZ2 3.6Å; I218-W273 HydrophobicContact CG2-CZ3 4.02Å; L222-W273 HydrophobicContact CB-CZ2 4.37Å; G223-W273 VanDerWaalsContact O-CZ2 3.25Å; G223-W273 WeakPolarHBondContact O-CZ2 3.23Å; G223-W273 PolarHBondContact O-NE1 2.88Å; P225-W273 HydrophobicContact CB-CB 4.07Å; P225-W273 HydrophobicContact CB-CD2 3.76Å; P225-W273 HydrophobicContact CB-CE3 4.29Å; P225-W273 HydrophobicContact CB-CG 3.64Å; P225-W273 HydrophobicContact CG-CD2 3.87Å; P225-W273 HydrophobicContact CG-CE3 4Å; P225-W273 HydrophobicContact CG-CG 4.31Å; P225-W273 HydrophobicContact CG-CH2 4.43Å; P225-W273 HydrophobicContact CG-CZ2 4.33Å; P225-W273 HydrophobicContact CG-CZ3 4.27Å; W230-W273 HydrophobicContact CB-CB 4.36Å; W230-W273 HydrophobicContact CD2-CB 4.42Å; W230-W273 HydrophobicContact CE3-CB 4.07Å; W230-W273 HydrophobicContact CE3-CD2 4.46Å; W230-W273 AromaticContact CE3-CE3 3.78Å; W230-W273 HydrophobicContact CE3-CE3 3.78Å; W230-W273 AromaticContact CZ3-CE3 3.58Å; W230-W273 HydrophobicContact CZ3-CE3 3.58Å; W230-W273 HydrophobicContact CZ3-CZ3 4.07Å; F244-W273 HydrophobicContact CE1-CH2 4.33Å; F244-W273 HydrophobicContact CE1-CZ3 4.05Å; W273-P275 WeakPolarHBondContact O-CD 3.49Å; W273-R278 PolarHBondContact O-NH2 2.84Å
274N97.8Very high98.2Very high26 Ų2639.1 Ų39.114%0.13921%0.213CC..SBendtrans-70.6118.5176.5-175.6-3.5000110.1W230 E276 S277W230-N274 HydrophobicContact CB-CB 4.36Å; W230-N274 HydrophobicContact CG-CB 4.27Å; N274-E276 PolarHBondContact O-N 3.03Å; N274-E276 WeakPolarHBondContact OD1-CB 3.38Å; N274-E276 PolarHBondContact OD1-N 2.87Å; N274-S277 WeakPolarHBondContact O-CB 3.36Å; N274-S277 PolarHBondContact O-N 3.4Å
275P97.9Very high98.2Very high27 Ų2741.1 Ų41.118%0.17522%0.223CC..G310 helixtrans-60.3-25.717824-34.1000113.6E175 P186 W273 S277 R278E175-P275 WeakPolarHBondContact OE1-CB 3.42Å; P186-P275 HydrophobicContact CB-CB 3.91Å; P186-P275 WeakPolarHBondContact CB-O 3.34Å; P186-P275 HydrophobicContact CG-CB 4.48Å; W273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-S277 VanDerWaalsContact C-N 3.29Å; P275-R278 PolarHBondContact O-N 3.46Å
276E96.7Very high98.1Very high174 Ų17446.7 Ų46.781%0.81325%0.245SC*.G310 helixtrans-73.9-22.5177.4-61.9176.6175.800112.6N274 R278N274-E276 PolarHBondContact O-N 3.03Å; N274-E276 WeakPolarHBondContact OD1-CB 3.38Å; N274-E276 PolarHBondContact OD1-N 2.87Å; E276-R278 VanDerWaalsContact C-N 3.35Å
277S97.7Very high98.1Very high71 Ų7147.4 Ų47.450%0.49725%0.249SC..G310 helixtrans-82.7-13.5175.4-57.40000112.8N274 P275N274-S277 WeakPolarHBondContact O-CB 3.36Å; N274-S277 PolarHBondContact O-N 3.4Å; P275-S277 VanDerWaalsContact C-N 3.29Å
278R98.4Very high98Very high12 Ų1249.7 Ų49.75%0.04526%0.264CS..SBendtrans-74.6132.8177.6-62.9-177.9-158.8136.712.2109.8E175 P186 L270 S272 W273 P275 E276E175-R278 IonicContact OE1-CZ 3.84Å; E175-R278 IonicContact OE1-NH1 2.72Å; E175-R278 PolarHBondContact OE1-NH1 3.24Å; E175-R278 IonicContact OE1-NH2 2.85Å; E175-R278 IonicContact OE2-CZ 3.58Å; E175-R278 IonicContact OE2-NH1 3.36Å; E175-R278 PolarHBondContact OE2-NH1 2.82Å; E175-R278 IonicContact OE2-NH2 3.62Å; E175-R278 PolarHBondContact OE2-NH2 2.78Å; P186-R278 PolarHBondContact O-NH1 2.88Å; P186-R278 VanDerWaalsContact O-NH1 3.11Å; L270-R278 WeakPolarHBondContact O-CD 3.35Å; S272-R278 PolarHBondContact O-NE 2.95Å; S272-R278 PolarHBondContact O-NH2 2.89Å; W273-R278 PolarHBondContact O-NH2 2.84Å; P275-R278 PolarHBondContact O-N 3.46Å; E276-R278 VanDerWaalsContact C-N 3.35Å
279P98.4Very high97.8Very high17 Ų1746.1 Ų46.111%0.1125%0.248CC..PPolyproline II helixtrans-67.7145.3-179.228.7-35000110.5L189 Q269 L270 Q283 A284L189-P279 WeakPolarHBondContact CG-O 3.41Å; Q269-P279 HydrophobicContact CB-CG 4.08Å; Q269-P279 WeakPolarHBondContact O-CD 3.38Å; L270-P279 HydrophobicContact CD2-CG 4.24Å; P279-Q283 HydrophobicContact CB-CB 3.96Å; P279-A284 HydrophobicContact CB-CB 4.38Å; P279-A284 HydrophobicContact CG-CB 4.07Å
280A98.4Very high97.6Very high44 Ų4443.4 Ų43.436%0.36424%0.235SC..PPolyproline II helixtrans-59.6153.5165.100000110.2T282 Q283 A284A280-T282 PolarHBondContact O-N 2.86Å; A280-T282 VanDerWaalsContact O-N 3.09Å; A280-Q283 HydrophobicContact CB-CG 4.32Å; A280-Q283 WeakPolarHBondContact O-CA 3.44Å; A280-Q283 WeakPolarHBondContact O-CB 3.5Å; A280-Q283 PolarHBondContact O-N 2.65Å; A280-A284 PolarHBondContact O-N 3.28Å
281A98.5Very high97.1Very high2 Ų253.1 Ų53.12%0.01727%0.272CS..Hα-helixtrans-55.3-35.2-178.600000113.2L116 L119 A120 L189 L285L116-A281 HydrophobicContact CD2-CB 4.33Å; L119-A281 HydrophobicContact CB-CB 4.19Å; A120-A281 HydrophobicContact CB-CB 3.82Å; L189-A281 HydrophobicContact CD1-CB 3.99Å; A281-L285 WeakPolarHBondContact O-CD1 3.31Å; A281-L285 VanDerWaalsContact O-CG 3.29Å; A281-L285 WeakPolarHBondContact O-CG 3.42Å; A281-L285 PolarHBondContact O-N 2.8Å; A281-L285 VanDerWaalsContact O-N 3.13Å
282T97.8Very high95.8Very high85 Ų8555 Ų5552%0.52129%0.293SS..Hα-helixtrans-67.3-31.4174.351.50000113.6A120 A280A120-T282 HydrophobicContact CB-CG2 3.79Å; A280-T282 PolarHBondContact O-N 2.86Å; A280-T282 VanDerWaalsContact O-N 3.09Å
283Q98.3Very high94.5Very high109 Ų10954.1 Ų54.151%0.50929%0.287SS..Hα-helixtrans-77.9-44.6175.3-67.6169.9-2900110.6P279 A280 L285 K286P279-Q283 HydrophobicContact CB-CB 3.96Å; A280-Q283 HydrophobicContact CB-CG 4.32Å; A280-Q283 WeakPolarHBondContact O-CA 3.44Å; A280-Q283 WeakPolarHBondContact O-CB 3.5Å; A280-Q283 PolarHBondContact O-N 2.65Å; Q283-L285 PolarHBondContact O-N 2.98Å; Q283-K286 VanDerWaalsContact O-CB 3.29Å; Q283-K286 WeakPolarHBondContact O-CB 3.47Å; Q283-K286 PolarHBondContact O-N 2.84Å
284A98.5Very high93.2Very high1 Ų157.4 Ų57.41%0.00831%0.311CS..Hα-helixtrans-54.5-42.6176.500000111.4L116 L266 L270 P279 A280 K286 N287 F290L116-A284 HydrophobicContact CD1-CB 3.96Å; L116-A284 HydrophobicContact CD2-CB 4.17Å; L266-A284 HydrophobicContact CD1-CB 4.13Å; L270-A284 HydrophobicContact CD2-CB 4.34Å; P279-A284 HydrophobicContact CB-CB 4.38Å; P279-A284 HydrophobicContact CG-CB 4.07Å; A280-A284 PolarHBondContact O-N 3.28Å; A284-K286 PolarHBondContact O-N 2.79Å; A284-N287 VanDerWaalsContact O-CB 3.31Å; A284-N287 WeakPolarHBondContact O-CB 3.31Å; A284-N287 PolarHBondContact O-N 2.85Å; A284-F290 VanDerWaalsContact O-CE2 3.32Å; A284-F290 WeakPolarHBondContact O-CE2 3.33Å
285L97.3Very high91.9Very high43 Ų4364.1 Ų64.123%0.22534%0.339CS..THydrogen-bonded Turntrans-59.2-13.9176.6-78.5167000115.3A113 L116 R117 A281 Q283 N287A113-L285 HydrophobicContact CB-CD2 4.1Å; L116-L285 HydrophobicContact CB-CD1 4.28Å; L116-L285 HydrophobicContact CB-CD2 3.79Å; L116-L285 HydrophobicContact CB-CG 3.81Å; L116-L285 HydrophobicContact CD1-CD2 4.4Å; L116-L285 HydrophobicContact CD1-CG 4.48Å; R117-L285 HydrophobicContact CB-CD1 4.49Å; R117-L285 HydrophobicContact CG-CD1 3.75Å; R117-L285 HydrophobicContact CG-CD2 3.98Å; A281-L285 WeakPolarHBondContact O-CD1 3.31Å; A281-L285 VanDerWaalsContact O-CG 3.29Å; A281-L285 WeakPolarHBondContact O-CG 3.42Å; A281-L285 PolarHBondContact O-N 2.8Å; A281-L285 VanDerWaalsContact O-N 3.13Å; Q283-L285 PolarHBondContact O-N 2.98Å; L285-N287 VanDerWaalsContact C-N 3.29Å
286K97Very high90.6Very high167 Ų16763.4 Ų63.473%0.72634%0.335SS*.THydrogen-bonded Turntrans-81.5-8.1175.5-59.2-179.4-180-178.80113Q283 A284Q283-K286 VanDerWaalsContact O-CB 3.29Å; Q283-K286 WeakPolarHBondContact O-CB 3.47Å; Q283-K286 PolarHBondContact O-N 2.84Å; A284-K286 PolarHBondContact O-N 2.79Å
287N97.4Very high89.2Confident15 Ų1556.4 Ų56.48%0.0830%0.303CS..SBendtrans-59.6136.1-179.3-174.3-69.4000111.2D262 L266 A284 L285 C289 F290D262-N287 PolarHBondContact O-ND2 2.59Å; D262-N287 PolarHBondContact O-OD1 3.19Å; L266-N287 HydrophobicContact CD1-CB 4.18Å; A284-N287 VanDerWaalsContact O-CB 3.31Å; A284-N287 WeakPolarHBondContact O-CB 3.31Å; A284-N287 PolarHBondContact O-N 2.85Å; L285-N287 VanDerWaalsContact C-N 3.29Å; N287-C289 PolarHBondContact O-N 3.09Å; N287-C289 VanDerWaalsContact O-N 3.14Å; N287-C289 VanDerWaalsContact OD1-CB 3.24Å; N287-C289 WeakPolarHBondContact OD1-CB 3.47Å; N287-C289 PolarHBondContact OD1-N 3.12Å; N287-C289 PolarHBondContact OD1-SG 3.02Å; N287-F290 HydrophobicContact CB-CD2 4.13Å; N287-F290 HydrophobicContact CB-CE2 4.1Å; N287-F290 PolarHBondContact O-N 2.69Å
288P96.3Very high87.8Confident47 Ų4757.5 Ų57.531%0.30530%0.303SS..G310 helixtrans-59.9-22.3-178.4-23.133.4000115D262 F290 R291D262-P288 HydrophobicContact CB-CB 4.39Å; P288-F290 PolarHBondContact O-N 3.15Å; P288-R291 VanDerWaalsContact O-CB 3.24Å; P288-R291 WeakPolarHBondContact O-CB 3.28Å; P288-R291 WeakPolarHBondContact O-CG 3.27Å; P288-R291 PolarHBondContact O-N 3.28Å
289C94.6Very high86.2Confident12 Ų1259.8 Ų59.88%0.08132%0.321CS..G310 helixtrans-60.1-19.1178.479.30000113.5C109 D262 V263 N287C109-C289 WeakPolarHBondContact CB-O 3.49Å; C109-C289 PolarHBondContact SG-O 3.16Å; C109-C289 VanDerWaalsContact SG-O 3.32Å; D262-C289 HydrophobicContact CB-CB 3.8Å; V263-C289 HydrophobicContact CG2-CB 3.64Å; N287-C289 PolarHBondContact O-N 3.09Å; N287-C289 VanDerWaalsContact O-N 3.14Å; N287-C289 VanDerWaalsContact OD1-CB 3.24Å; N287-C289 WeakPolarHBondContact OD1-CB 3.47Å; N287-C289 PolarHBondContact OD1-N 3.12Å; N287-C289 PolarHBondContact OD1-SG 3.02Å
290F94.6Very high84.6Confident22 Ų2260.5 Ų60.510%0.09633%0.325CS..G310 helixtrans-86.5-9.5176.7-58.6-50.9000113.6C109 T112 A113 L116 L266 A284 N287 P288 G292 A293C109-F290 HydrophobicContact CB-CD1 4.08Å; C109-F290 HydrophobicContact CB-CE1 4.39Å; C109-F290 WeakPolarHBondContact O-CD1 3.46Å; C109-F290 VanDerWaalsContact O-CE1 3.31Å; C109-F290 WeakPolarHBondContact O-CE1 3.46Å; T112-F290 HydrophobicContact CG2-CE1 4.26Å; T112-F290 HydrophobicContact CG2-CZ 4.19Å; A113-F290 HydrophobicContact CB-CD1 3.64Å; A113-F290 HydrophobicContact CB-CE1 3.85Å; A113-F290 HydrophobicContact CB-CG 4.18Å; L116-F290 HydrophobicContact CD1-CE2 3.92Å; L116-F290 HydrophobicContact CD1-CZ 3.6Å; L266-F290 HydrophobicContact CD2-CE1 4.22Å; L266-F290 HydrophobicContact CD2-CE2 3.76Å; L266-F290 HydrophobicContact CD2-CZ 3.36Å; A284-F290 VanDerWaalsContact O-CE2 3.32Å; A284-F290 WeakPolarHBondContact O-CE2 3.33Å; N287-F290 HydrophobicContact CB-CD2 4.13Å; N287-F290 HydrophobicContact CB-CE2 4.1Å; N287-F290 PolarHBondContact O-N 2.69Å; P288-F290 PolarHBondContact O-N 3.15Å; F290-G292 PolarHBondContact O-N 2.84Å; F290-A293 WeakPolarHBondContact O-CB 3.33Å; F290-A293 PolarHBondContact O-N 2.8Å
291R87.3Confident83.1Confident204 Ų20465 Ų6577%0.7733%0.333SS*.THydrogen-bonded Turntrans-64.2127.9173.4-65.1177.8-179.3-1781.1109P288 A293P288-R291 VanDerWaalsContact O-CB 3.24Å; P288-R291 WeakPolarHBondContact O-CB 3.28Å; P288-R291 WeakPolarHBondContact O-CG 3.27Å; P288-R291 PolarHBondContact O-N 3.28Å; R291-A293 PolarHBondContact O-N 2.75Å
292G73Confident81.2Confident46 Ų4669.7 Ų69.747%0.47436%0.357SS..THydrogen-bonded Turntrans78.7-5.8179.600000115.8F290 S294 K295F290-G292 PolarHBondContact O-N 2.84Å; G292-S294 PolarHBondContact O-N 2.85Å; G292-K295 WeakPolarHBondContact O-CB 3.47Å; G292-K295 PolarHBondContact O-N 3.44Å
293A71Confident79.4Confident5 Ų569.6 Ų69.64%0.04135%0.353CS..G310 helixtrans-57.2-34.9178.800000112.8C109 L110 F290 R291 K295 A296C109-A293 HydrophobicContact CB-CB 4.29Å; L110-A293 HydrophobicContact CB-CB 4.15Å; F290-A293 WeakPolarHBondContact O-CB 3.33Å; F290-A293 PolarHBondContact O-N 2.8Å; R291-A293 PolarHBondContact O-N 2.75Å; A293-K295 VanDerWaalsContact C-N 3.34Å; A293-K295 PolarHBondContact O-N 2.97Å; A293-A296 WeakPolarHBondContact O-CB 3.43Å; A293-A296 PolarHBondContact O-N 2.96Å
294S70Confident77.7Confident76 Ų7669.4 Ų69.453%0.53135%0.348SS..G310 helixtrans-67.1-30.3175.2-65.80000113.7G292 A296 I297G292-S294 PolarHBondContact O-N 2.85Å; S294-A296 VanDerWaalsContact C-N 3.25Å; S294-A296 PolarHBondContact O-N 3.27Å; S294-I297 PolarHBondContact O-N 2.89Å
295K71.8Confident75.9Confident168 Ų16876.5 Ų76.573%0.7338%0.379SS*.G310 helixtrans-70.4-24.2177.7-63.6-174.9178.2-1770112G292 A293 I297 D298G292-K295 WeakPolarHBondContact O-CB 3.47Å; G292-K295 PolarHBondContact O-N 3.44Å; A293-K295 VanDerWaalsContact C-N 3.34Å; A293-K295 PolarHBondContact O-N 2.97Å; K295-I297 PolarHBondContact O-N 3.14Å; K295-D298 PolarHBondContact O-N 2.89Å
296A69.6Low73.9Confident12 Ų1282.1 Ų82.110%0.09940%0.397CS..Hα-helixtrans-70.9-14.2177.700000113.6P106 I107 A293 S294 D298 S299 V300P106-A296 HydrophobicContact CB-CB 3.5Å; I107-A296 HydrophobicContact CD1-CB 3.67Å; A293-A296 WeakPolarHBondContact O-CB 3.43Å; A293-A296 PolarHBondContact O-N 2.96Å; S294-A296 VanDerWaalsContact C-N 3.25Å; S294-A296 PolarHBondContact O-N 3.27Å; A296-D298 VanDerWaalsContact C-N 3.28Å; A296-S299 PolarHBondContact O-OG 3.04Å; A296-V300 PolarHBondContact O-N 2.78Å
297I67.7Low72.1Confident27 Ų2780.2 Ų80.214%0.13839%0.39CS..Hα-helixtrans-65-38.3173-65.6177.4000110.4L110 E143 S294 K295 S299 V300 R301L110-I297 HydrophobicContact CD1-CD1 3.98Å; L110-I297 HydrophobicContact CD1-CG1 4.28Å; L110-I297 HydrophobicContact CD2-CD1 3.76Å; L110-I297 HydrophobicContact CD2-CG1 3.3Å; L110-I297 HydrophobicContact CG-CD1 4.5Å; L110-I297 HydrophobicContact CG-CG1 4.41Å; E143-I297 HydrophobicContact CB-CG2 4.18Å; S294-I297 PolarHBondContact O-N 2.89Å; K295-I297 PolarHBondContact O-N 3.14Å; I297-S299 VanDerWaalsContact C-N 3.34Å; I297-S299 PolarHBondContact O-N 2.85Å; I297-V300 PolarHBondContact O-N 2.65Å; I297-R301 HydrophobicContact CG2-CG 4.07Å; I297-R301 WeakPolarHBondContact O-CB 3.48Å; I297-R301 WeakPolarHBondContact O-CG 3.34Å; I297-R301 PolarHBondContact O-N 3.47Å
298D68Low70.3Confident93 Ų9382.5 Ų82.550%0.49741%0.408SS..Hα-helixtrans-67-38.9-175.1-65.3-32.6000111K295 A296 R301 L302K295-D298 PolarHBondContact O-N 2.89Å; A296-D298 VanDerWaalsContact C-N 3.28Å; D298-R301 PolarHBondContact O-N 3.4Å; D298-L302 WeakPolarHBondContact O-CB 3.47Å; D298-L302 WeakPolarHBondContact O-CD1 3.33Å; D298-L302 VanDerWaalsContact O-CG 3.22Å; D298-L302 WeakPolarHBondContact O-CG 3.43Å; D298-L302 PolarHBondContact O-N 3.09Å
299S64.9Low68.5Low60 Ų6083.7 Ų83.742%0.4242%0.417SS..Hα-helixtrans-64.9-45.3173.756.50000112.2A296 I297 R301 L302 D303A296-S299 PolarHBondContact O-OG 3.04Å; I297-S299 VanDerWaalsContact C-N 3.34Å; I297-S299 PolarHBondContact O-N 2.85Å; S299-R301 VanDerWaalsContact C-N 3.35Å; S299-R301 PolarHBondContact O-N 2.84Å; S299-L302 WeakPolarHBondContact O-CB 3.21Å; S299-L302 PolarHBondContact O-N 3.25Å; S299-D303 PolarHBondContact O-N 2.81Å
300V65.2Low66.8Low33 Ų3387.6 Ų87.620%0.244%0.437CS..Hα-helixtrans-65.6-37178.2174.10000112.3I107 A296 I297 L302 D303 R304I107-V300 HydrophobicContact CD1-CG2 3.38Å; I107-V300 HydrophobicContact CG1-CG2 3.88Å; A296-V300 PolarHBondContact O-N 2.78Å; I297-V300 PolarHBondContact O-N 2.65Å; V300-L302 VanDerWaalsContact C-N 3.35Å; V300-D303 PolarHBondContact O-N 2.74Å; V300-R304 PolarHBondContact O-N 3.13Å
301R66.9Low64.9Low139 Ų13992 Ų9253%0.52546%0.462SS..Hα-helixtrans-65.3-39.7174.4-78179.6177.2164.7-1.3111.5I297 D298 S299 K305I297-R301 HydrophobicContact CG2-CG 4.07Å; I297-R301 WeakPolarHBondContact O-CB 3.48Å; I297-R301 WeakPolarHBondContact O-CG 3.34Å; I297-R301 PolarHBondContact O-N 3.47Å; D298-R301 PolarHBondContact O-N 3.4Å; S299-R301 VanDerWaalsContact C-N 3.35Å; S299-R301 PolarHBondContact O-N 2.84Å; R301-K305 WeakPolarHBondContact O-CG 3.44Å; R301-K305 PolarHBondContact O-N 3.5Å
302L59Low63.8Low99 Ų9989.5 Ų89.552%0.51846%0.456SS..Hα-helixtrans-64.5-44.1175.8-76.2161.6000111.4D298 S299 V300 K305 R306D298-L302 WeakPolarHBondContact O-CB 3.47Å; D298-L302 WeakPolarHBondContact O-CD1 3.33Å; D298-L302 VanDerWaalsContact O-CG 3.22Å; D298-L302 WeakPolarHBondContact O-CG 3.43Å; D298-L302 PolarHBondContact O-N 3.09Å; S299-L302 WeakPolarHBondContact O-CB 3.21Å; S299-L302 PolarHBondContact O-N 3.25Å; V300-L302 VanDerWaalsContact C-N 3.35Å; L302-K305 PolarHBondContact O-N 2.8Å; L302-R306 WeakPolarHBondContact O-CG 3.39Å; L302-R306 PolarHBondContact O-N 2.83Å
303D60.2Low63.5Low83 Ų8392.3 Ų92.344%0.44446%0.46SS..Hα-helixtrans-65.6-41.8178.5-72.3-22.1000112.4S299 V300 K305 R306 H307S299-D303 PolarHBondContact O-N 2.81Å; V300-D303 PolarHBondContact O-N 2.74Å; D303-K305 VanDerWaalsContact C-N 3.33Å; D303-K305 PolarHBondContact O-N 2.92Å; D303-R306 PolarHBondContact O-N 3.35Å; D303-H307 PolarHBondContact O-N 2.95Å
304R61.6Low63.1Low106 Ų10694.5 Ų94.540%0.448%0.478SS..Hα-helixtrans-62.5-39.1173.3-77.8-174.4-179177.13.4112.4E143 V300 S308E143-R304 IonicContact OE1-NH1 2.59Å; E143-R304 PolarHBondContact OE1-NH1 2.86Å; E143-R304 IonicContact OE2-CZ 3.28Å; E143-R304 IonicContact OE2-NH1 2.69Å; E143-R304 PolarHBondContact OE2-NH1 3.43Å; E143-R304 IonicContact OE2-NH2 3.81Å; V300-R304 PolarHBondContact O-N 3.13Å; R304-S308 WeakPolarHBondContact O-CB 3.38Å; R304-S308 PolarHBondContact O-N 2.93Å
305K60.1Low62.8Low149 Ų14996.4 Ų96.465%0.64848%0.482SS*.Hα-helixtrans-64.1-43.6175.3-80.5-177.8179.2-177.90111R301 L302 D303 S308 S309R301-K305 WeakPolarHBondContact O-CG 3.44Å; R301-K305 PolarHBondContact O-N 3.5Å; L302-K305 PolarHBondContact O-N 2.8Å; D303-K305 VanDerWaalsContact C-N 3.33Å; D303-K305 PolarHBondContact O-N 2.92Å; K305-S308 PolarHBondContact O-N 2.9Å; K305-S309 WeakPolarHBondContact O-CB 3.38Å; K305-S309 PolarHBondContact O-N 2.84Å; K305-S309 PolarHBondContact O-OG 3.49Å
306R56.5Low62.7Low161 Ų16191.8 Ų91.861%0.60847%0.471SS*.Hα-helixtrans-58.6-53.5175.4-73.2176.2177.9178.3-2.7111.5L302 D303 S308 S309 D310L302-R306 WeakPolarHBondContact O-CG 3.39Å; L302-R306 PolarHBondContact O-N 2.83Å; D303-R306 PolarHBondContact O-N 3.35Å; R306-S308 VanDerWaalsContact C-N 3.31Å; R306-S308 PolarHBondContact O-N 2.9Å; R306-S309 WeakPolarHBondContact O-CA 3.32Å; R306-S309 WeakPolarHBondContact O-CB 3.41Å; R306-S309 PolarHBondContact O-N 3.14Å; R306-D310 PolarHBondContact O-N 3.2Å
307H59Low62.6Low127 Ų12796.2 Ų96.259%0.58849%0.489SS*.Hα-helixtrans-62.7-33.3178.5-74.713.7000113.9D303 N311D303-H307 PolarHBondContact O-N 2.95Å; H307-N311 WeakPolarHBondContact O-CB 3.32Å; H307-N311 PolarHBondContact O-N 3.38Å; H307-N311 VanDerWaalsContact O-N 3.12Å; H307-N311 PolarHBondContact O-ND2 3.32Å
308S60.1Low62.6Low64 Ų64104.2 Ų104.245%0.44852%0.518SS..Hα-helixtrans-70.3-34.9173.2-175.40000112.3R304 K305 R306 K312R304-S308 WeakPolarHBondContact O-CB 3.38Å; R304-S308 PolarHBondContact O-N 2.93Å; K305-S308 PolarHBondContact O-N 2.9Å; R306-S308 VanDerWaalsContact C-N 3.31Å; R306-S308 PolarHBondContact O-N 2.9Å; S308-K312 WeakPolarHBondContact O-CG 3.32Å; S308-K312 PolarHBondContact O-N 3.04Å; S308-K312 VanDerWaalsContact O-N 3.15Å
309S57.3Low62.5Low71 Ų71104.9 Ų104.950%0.49752%0.521SS..Hα-helixtrans-71.2-43.6176.3-63.40000111.3K305 R306 N311 K312 L313K305-S309 WeakPolarHBondContact O-CB 3.38Å; K305-S309 PolarHBondContact O-N 2.84Å; K305-S309 PolarHBondContact O-OG 3.49Å; R306-S309 WeakPolarHBondContact O-CA 3.32Å; R306-S309 WeakPolarHBondContact O-CB 3.41Å; R306-S309 PolarHBondContact O-N 3.14Å; S309-N311 VanDerWaalsContact C-N 3.34Å; S309-N311 PolarHBondContact O-N 3.01Å; S309-K312 PolarHBondContact O-N 2.85Å; S309-K312 VanDerWaalsContact O-N 3.14Å; S309-L313 WeakPolarHBondContact O-CB 3.31Å; S309-L313 PolarHBondContact O-N 3.5Å
310D58.5Low62.5Low94 Ų94104.8 Ų104.850%0.50352%0.52SS..Hα-helixtrans-62.9-41.6178.1-61.7-28.1000111.1R306 K312 L313 A314R306-D310 PolarHBondContact O-N 3.2Å; D310-K312 PolarHBondContact O-N 3.38Å; D310-L313 PolarHBondContact O-N 3.48Å; D310-A314 VanDerWaalsContact O-CB 3.32Å; D310-A314 WeakPolarHBondContact O-CB 3.43Å; D310-A314 PolarHBondContact O-N 2.92Å
311N55.6Low62.2Low116 Ų116112.5 Ų112.562%0.6255%0.545SS*.Hα-helixtrans-64.8-38.3173.6-83-36.1000112.7H307 S309 L315H307-N311 WeakPolarHBondContact O-CB 3.32Å; H307-N311 PolarHBondContact O-N 3.38Å; H307-N311 VanDerWaalsContact O-N 3.12Å; H307-N311 PolarHBondContact O-ND2 3.32Å; S309-N311 VanDerWaalsContact C-N 3.34Å; S309-N311 PolarHBondContact O-N 3.01Å; N311-L315 WeakPolarHBondContact O-CB 3.4Å; N311-L315 PolarHBondContact O-N 3.45Å
312K64.8Low61.5Low151 Ų151112 Ų11266%0.65755%0.553SS**Hα-helixtrans-67.9-39.7174.3-81.3-177.5178.4-175.50111.9S308 S309 D310 L315 S316S308-K312 WeakPolarHBondContact O-CG 3.32Å; S308-K312 PolarHBondContact O-N 3.04Å; S308-K312 VanDerWaalsContact O-N 3.15Å; S309-K312 PolarHBondContact O-N 2.85Å; S309-K312 VanDerWaalsContact O-N 3.14Å; D310-K312 PolarHBondContact O-N 3.38Å; K312-L315 PolarHBondContact O-N 2.85Å; K312-S316 WeakPolarHBondContact O-CB 3.43Å; K312-S316 PolarHBondContact O-N 2.82Å
313L66.1Low61.1Low104 Ų104111.8 Ų111.855%0.54556%0.559SS.*Hα-helixtrans-66.1-43.6177.8-155.484.2000110.6S309 D310 L315 S316 Q317S309-L313 WeakPolarHBondContact O-CB 3.31Å; S309-L313 PolarHBondContact O-N 3.5Å; D310-L313 PolarHBondContact O-N 3.48Å; L313-L315 VanDerWaalsContact C-N 3.35Å; L313-L315 PolarHBondContact O-N 3.26Å; L313-S316 PolarHBondContact O-N 2.87Å; L313-Q317 WeakPolarHBondContact O-CB 3.47Å; L313-Q317 VanDerWaalsContact O-CG 3.31Å; L313-Q317 WeakPolarHBondContact O-CG 3.32Å; L313-Q317 PolarHBondContact O-N 3.31Å
314A61.4Low60.3Low51 Ų51113 Ų11342%0.42157%0.57SS.*Hα-helixtrans-62.9-39.5174.700000112.1D310 R318D310-A314 VanDerWaalsContact O-CB 3.32Å; D310-A314 WeakPolarHBondContact O-CB 3.43Å; D310-A314 PolarHBondContact O-N 2.92Å; A314-R318 WeakPolarHBondContact O-CB 3.32Å; A314-R318 PolarHBondContact O-N 2.91Å
315L65.1Low59.6Low116 Ų116114.8 Ų114.861%0.60759%0.586SS**Hα-helixtrans-66.6-42.7174.4-144102.5000111.3N311 K312 L313 R318 L319N311-L315 WeakPolarHBondContact O-CB 3.4Å; N311-L315 PolarHBondContact O-N 3.45Å; K312-L315 PolarHBondContact O-N 2.85Å; L313-L315 VanDerWaalsContact C-N 3.35Å; L313-L315 PolarHBondContact O-N 3.26Å; L315-R318 WeakPolarHBondContact O-CB 3.48Å; L315-R318 PolarHBondContact O-N 2.67Å; L315-L319 HydrophobicContact CD2-CD1 4.33Å; L315-L319 WeakPolarHBondContact O-CG 3.49Å; L315-L319 PolarHBondContact O-N 2.81Å
316S68.3Low58.7Low72 Ų72114.9 Ų114.950%0.50359%0.593SS.*Hα-helixtrans-64.4-40.8177.1-172.20000112.4K312 L313 R318 L319 S320K312-S316 WeakPolarHBondContact O-CB 3.43Å; K312-S316 PolarHBondContact O-N 2.82Å; L313-S316 PolarHBondContact O-N 2.87Å; S316-R318 VanDerWaalsContact C-N 3.32Å; S316-L319 PolarHBondContact O-N 3.09Å; S316-S320 WeakPolarHBondContact O-CB 3.43Å; S316-S320 PolarHBondContact O-N 3.38Å; S316-S320 PolarHBondContact O-OG 2.76Å
317Q69Low57.5Low105 Ų105112.2 Ų112.249%0.49160%0.6SS.*Hα-helixtrans-68.3-32175.7-75175.6-5.900112L313 S320 R321L313-Q317 WeakPolarHBondContact O-CB 3.47Å; L313-Q317 VanDerWaalsContact O-CG 3.31Å; L313-Q317 WeakPolarHBondContact O-CG 3.32Å; L313-Q317 PolarHBondContact O-N 3.31Å; Q317-S320 WeakPolarHBondContact CA-OG 3.48Å; Q317-S320 PolarHBondContact O-OG 3.28Å; Q317-S320 VanDerWaalsContact O-OG 3.11Å; Q317-R321 WeakPolarHBondContact O-CG 3.39Å; Q317-R321 PolarHBondContact O-N 3.04Å
318R66.4Low56.6Low195 Ų195112.1 Ų112.174%0.73661%0.61SS**Hα-helixtrans-67.5-41.5170.9-113.9175.2175.8164.7-1111.8A314 L315 S316 L322A314-R318 WeakPolarHBondContact O-CB 3.32Å; A314-R318 PolarHBondContact O-N 2.91Å; L315-R318 WeakPolarHBondContact O-CB 3.48Å; L315-R318 PolarHBondContact O-N 2.67Å; S316-R318 VanDerWaalsContact C-N 3.32Å; R318-L322 WeakPolarHBondContact O-CG 3.45Å; R318-L322 PolarHBondContact O-N 3.05Å
319L67.1Low55.4Low107 Ų107118.5 Ų118.556%0.5663%0.633SS**Hα-helixtrans-69.7-36.6177.7-69.9168.6000112.2L315 S316 L322 S323L315-L319 HydrophobicContact CD2-CD1 4.33Å; L315-L319 WeakPolarHBondContact O-CG 3.49Å; L315-L319 PolarHBondContact O-N 2.81Å; S316-L319 PolarHBondContact O-N 3.09Å; L319-L322 WeakPolarHBondContact O-CB 3.49Å; L319-L322 PolarHBondContact O-N 2.97Å; L319-S323 PolarHBondContact O-N 2.84Å
320S64.6Low54.2Low58 Ų58124.2 Ų124.241%0.40665%0.652SS.*Hα-helixtrans-71.5-30.1177.3690000113.2S316 Q317 L322 S323S316-S320 WeakPolarHBondContact O-CB 3.43Å; S316-S320 PolarHBondContact O-N 3.38Å; S316-S320 PolarHBondContact O-OG 2.76Å; Q317-S320 WeakPolarHBondContact CA-OG 3.48Å; Q317-S320 PolarHBondContact O-OG 3.28Å; Q317-S320 VanDerWaalsContact O-OG 3.11Å; S320-L322 PolarHBondContact O-N 2.96Å; S320-S323 WeakPolarHBondContact CA-OG 3.32Å; S320-S323 PolarHBondContact O-N 2.85Å; S320-S323 PolarHBondContact O-OG 2.96Å
321R59Low53Low194 Ų194128.8 Ų128.873%0.73267%0.67SS**Hα-helixtrans-70.4-20.9171.4-75.4179.7-176-170.42.1113.1Q317Q317-R321 WeakPolarHBondContact O-CG 3.39Å; Q317-R321 PolarHBondContact O-N 3.04Å
322L51.1Low52Low129 Ų129129.6 Ų129.668%0.67568%0.682SS**Hα-helixtrans-84.7-15.1174.7-69.3165.9000112.4R318 L319 S320R318-L322 WeakPolarHBondContact O-CG 3.45Å; R318-L322 PolarHBondContact O-N 3.05Å; L319-L322 WeakPolarHBondContact O-CB 3.49Å; L319-L322 PolarHBondContact O-N 2.97Å; S320-L322 PolarHBondContact O-N 2.96Å
323S50.6Low50.5Low94 Ų94125.9 Ų125.966%0.65769%0.687SS**SBendtrans-98.20.9179.659.80000114.8L319 S320L319-S323 PolarHBondContact O-N 2.84Å; S320-S323 WeakPolarHBondContact CA-OG 3.32Å; S320-S323 PolarHBondContact O-N 2.85Å; S320-S323 PolarHBondContact O-OG 2.96Å
324T45.3Very low48.8Very low109 Ų109128.6 Ų128.667%0.66970%0.701SS**  trans-108.127.2179.349.60000113.7D326T324-D326 PolarHBondContact O-N 3.4Å
325I45.9Very low47.6Very low144 Ų144133.9 Ų133.974%0.73872%0.718SS**  trans-92.296.9167-59.7178.2000107.1
326D41.9Very low45.8Very low150 Ų150135.2 Ų135.280%0.80273%0.73SS**  trans-66.7130.6169.5-105.5-39.8000110.8T324T324-D326 PolarHBondContact O-N 3.4Å
327S31.2Very low44.1Very low106 Ų106142.4 Ų142.474%0.74175%0.746SS**  trans22113.7153.4-50.60000119.5
328P38.6Very low42.3Very low125 Ų125146.3 Ų146.381%0.81277%0.765SS**PPolyproline II helixtrans-92.4129.2164.114.62.9000112
329Q36.3Very low40.4Very low198 Ų198143.5 Ų143.593%0.92577%0.769SS**PPolyproline II helixtrans-63.1141162.4-77.4-178-6300111
330E31.2Very low38.9Very low191 Ų191144.2 Ų144.289%0.89378%0.78SS**PPolyproline II helixtrans-64.9133.9178.7-64.6177.2145.800113.2
331Q33.9Very low37.4Very low190 Ų190147.5 Ų147.589%0.88880%0.798SS**  trans-148142.8134.7-72.5-159.4-5.400110.2
332P34Very low35.8Very low133 Ų133149.4 Ų149.486%0.86481%0.806SS**  trans-99.2148-169.837.3-30.8000112.7
333G33.1Very low34.7Very low73 Ų73152.9 Ų152.975%0.75382%0.816SS**  trans157.593165.400000115.5
334D31.9Very low33.5Very low160 Ų160153.9 Ų153.986%0.85682%0.823SS**  trans78.2133144.3-81.2-19.2000123.6
335Q34.9Very low32.7Very low163 Ų163156.7 Ų156.776%0.76283%0.833SS**  trans88.494.3160.6-61.3-175.432.100119.3R337Q335-R337 PolarHBondContact O-N 2.86Å
336V28.2Very low31.9Very low144 Ų144157.9 Ų157.987%0.87384%0.84SS**  trans-49.5116.1155.7178.40000110.5
337R32.4Very low31.1Very low223 Ų223160 Ų16084%0.84285%0.845SS**  trans-134.7130.9155.8-81.8-171176.8-179.70.3110.5Q335Q335-R337 PolarHBondContact O-N 2.86Å
338E31.6Very low30.9Very low187 Ų187160.1 Ų160.187%0.87485%0.846SS**PPolyproline II helixtrans-59.2145.5-176-63.1171.5144.700113.3
339V26.6Very low30.3Very low136 Ų136159.7 Ų159.782%0.82485%0.846SS**PPolyproline II helixtrans-95.6119.4176.8-175.80000109.4
340P35.2Very low29.8Very low122 Ų122157.8 Ų157.879%0.79284%0.842SS**PPolyproline II helixtrans-95.3129.1169.5-1.421.6000112.1
341T32.8Very low29.7Very low127 Ų127158 Ų15878%0.77984%0.843SS**PPolyproline II helixtrans-54.1142.8178.7-45.40000115K343T341-K343 PolarHBondContact O-N 3.36Å
342Y24.6Very low29.4Very low233 Ų233160.9 Ų160.991%0.91485%0.846SS**SBendtrans-13.588.9164.8-94.4-97.1000116.6
343K27.8Very low29.1Very low202 Ų202166 Ų16688%0.87885%0.848SS**  trans-160.871.8164.6-152.4-179.8-174.1-1740111.7T341T341-K343 PolarHBondContact O-N 3.36Å
344S26.3Very low29.1Very low116 Ų116168.7 Ų168.781%0.81185%0.852SS**  trans-159.138173.861.20000116.5
345L28.5Very low29.2Very low167 Ų167166.7 Ų166.787%0.87485%0.85SS**SBendtrans-111.819.1172.1-90.7165.5000114.7
346L28.2Very low28.8Very low169 Ų169167.6 Ų167.689%0.88586%0.86SS**SBendtrans-139.765.6175-81.9164000109.2
347E26.4Very low28.8Very low195 Ų195164.3 Ų164.391%0.91186%0.855SS**  trans-171.667.9167.7-107.2161.3-146.200108.9
348S25.5Very low28.8Very low109 Ų109158.9 Ų158.976%0.76286%0.858SS**  trans-151.956.7170.5500000110.5
349S26.2Very low28.5Very low115 Ų115161.6 Ų161.680%0.80486%0.86SS**SBendtrans-159.459.3166.9-61.80000110.1
350D26.6Very low28.8Very low159 Ų159165.3 Ų165.385%0.8587%0.865SS**  trans-172.8103.2157-103.1-27.8000109.4
351Q28.7Very low28.4Very low195 Ų195168.4 Ų168.491%0.91187%0.869SS**  trans175.491.5147.7-97.1170.742.400109.8
352R28.4Very low28.3Very low251 Ų251169.3 Ų169.395%0.94787%0.874SS**  trans-133.690.2142.8-76-165.2-163.8-162.45.5108.6
353R26.9Very low28.7Very low241 Ų241163.4 Ų163.491%0.90986%0.864SS**  trans-141.2129.2147.1-83.6-165178.2-163.8-0.3108.5
354P33.7Very low28.9Very low129 Ų129161.4 Ų161.484%0.83886%0.863SS**PPolyproline II helixtrans-82.7157.5175.9-018.8000112
355S33.7Very low29Very low117 Ų117164.8 Ų164.882%0.81887%0.868SS**PPolyproline II helixtrans-58.2151.6-178.546.40000116.3
356L27.2Very low29.2Very low183 Ų183162.7 Ų162.796%0.95886%0.864SS**PPolyproline II helixtrans-60.8145.8173.2-74147.7000114
357G28.5Very low29.2Very low75 Ų75160 Ų16077%0.77386%0.86SS**  trans-169.2130.6161.400000112.1
358A32.6Very low29.3Very low109 Ų109159.9 Ų159.990%0.90186%0.86SS**  trans89.9113.1168.100000119.6
359R25.1Very low29.4Very low244 Ų244164.9 Ų164.992%0.92187%0.868SS**  trans-52146.2167.6-70.8167163.8175.2-7.1113.6
360K32.3Very low29.3Very low214 Ų214164.6 Ų164.693%0.9387%0.872SS**  -161.5140.8129-104.5175.2-173.3-174.60110.3
361E27Very low29.2Very low187 Ų187161.7 Ų161.787%0.87487%0.87SS**  trans-78.6147.3-167.2-58.9167.8159.200113.2
362V30.7Very low29.1Very low145 Ų145161.3 Ų161.388%0.87987%0.868SS**  trans-145.3137.8139.8-177.40000107.9
363P33.1Very low28.9Very low109 Ų109157.5 Ų157.571%0.70887%0.866SS**  trans-104.5160.1-160.535.2-23.9000115.8
364N32.1Very low28.9Very low161 Ų161156.3 Ų156.386%0.86187%0.867SS**  trans47.3113.7151.1-74.7-13.3000120.9
365M27.3Very low28.6Very low187 Ų187154 Ų15492%0.92186%0.859SS**  trans-136.3143133.7-112.1-148.5-65.500110.6
366P33.7Very low28.4Very low122 Ų122155.2 Ų155.279%0.79286%0.862SS**  trans-85.8156-161.9-4.824.7000114.4
367S27.6Very low28.3Very low114 Ų114151.6 Ų151.680%0.79786%0.858SS**  trans-67.3125.7170.753.30000113.3
368E29Very low28.2Very low192 Ų192159.4 Ų159.490%0.89786%0.864SS**  trans-166.4109.2145.5-120.6178.1-179.100111.9
369K26.5Very low28.1Very low214 Ų214162.9 Ų162.993%0.9387%0.867SS**  trans143.366.9158.1-82.6178.8177.1179.10111.5
370A24.4Very low28.4Very low108 Ų108161.2 Ų161.289%0.89387%0.866SS**  trans-127.476.9161.600000108.8
371A25.7Very low28Very low98 Ų98154.2 Ų154.281%0.8186%0.855SS**  trans-144.260.5168.600000109.8
372E25.3Very low28.2Very low187 Ų187152.4 Ų152.487%0.87486%0.856SS**SBendtrans-167.1140.7151.4-113.6172.4170.700107.8
373L25Very low27.9Very low171 Ų171149.2 Ų149.290%0.89585%0.853SS**  trans84.767.6-169.6-67.4132.2000117.2
374K25.9Very low27.8Very low216 Ų216155.6 Ų155.694%0.93986%0.863SS**  trans-123.685.4145.3-88-174.6179.71740110.4
375A28.3Very low27.5Very low80 Ų80155.5 Ų155.566%0.66186%0.863SS**  trans-164121152.500000106.8
376T28.9Very low27.6Very low144 Ų144155.2 Ų155.288%0.88386%0.859SS**  cis-162.5111.6-8.7-9.70000103.1
377A24.8Very low27.3Very low106 Ų106158.9 Ų158.988%0.87686%0.863SS**  trans-101.2114.1165.300000108.7
378R26.6Very low27.2Very low240 Ų240157.5 Ų157.591%0.90685%0.853SS**  trans-141.697.6154.6-98.5-172.2179.4-177.60.8107.5
379L30.7Very low27.1Very low182 Ų182156.2 Ų156.295%0.95385%0.851SS**  -169.2129128-96.1157.8000108.6
380K30.8Very low27.1Very low208 Ų208154.6 Ų154.690%0.90485%0.846SS**  trans-80.9149.4-173.1-74.3174.8170.4-179.90111.3
381G25.3Very low27.1Very low67 Ų67153.9 Ų153.969%0.69184%0.841SS**  trans89.994.4133.300000117.1
382T30Very low27.2Very low149 Ų149156.8 Ų156.891%0.91484%0.842SS**  173.7136114.234.50000108.2
383G25Very low27.2Very low78 Ų78156 Ų15680%0.80484%0.843SS**  trans-66.3137.5-168.700000113.8
384R30.9Very low27.3Very low243 Ų243157.3 Ų157.392%0.91784%0.841SS**  trans-154.3124.4146.7-102.8173.9-169.5174.13.4107.8E386R384-E386 PolarHBondContact O-N 3.12Å; R384-E386 VanDerWaalsContact O-N 3.13Å
385N25.9Very low27.4Very low160 Ų160155 Ų15586%0.85684%0.839SS**  trans-65.7101.8168.1-75.1-28000108.7
386E28.7Very low27.3Very low180 Ų180154.6 Ų154.684%0.84184%0.842SS**  trans-130101.5151.5-88.9-175.5166.500107R384 S388R384-E386 PolarHBondContact O-N 3.12Å; R384-E386 VanDerWaalsContact O-N 3.13Å; E386-S388 PolarHBondContact O-N 3.29Å; E386-S388 VanDerWaalsContact O-N 3.09Å
387F27.1Very low27.3Very low200 Ų200154.6 Ų154.688%0.87784%0.842SS**  trans-62.2106.3164.5-93.6-94000107.9I389F387-I389 PolarHBondContact O-N 3.4Å
388S27.4Very low27.5Very low85 Ų85156.3 Ų156.359%0.59484%0.841SS**  trans-75.1112.7161.7-169.20000108.2E386 E390E386-S388 PolarHBondContact O-N 3.29Å; E386-S388 VanDerWaalsContact O-N 3.09Å; S388-E390 PolarHBondContact O-N 3.18Å
389I25.6Very low27.6Very low165 Ų165152.4 Ų152.485%0.84684%0.838SS**THydrogen-bonded Turntrans-71.974.4163.9-58.4-179.8000106.8F387F387-I389 PolarHBondContact O-N 3.4Å
390E26.5Very low27.5Very low179 Ų179146.5 Ų146.584%0.83682%0.822SS**THydrogen-bonded Turntrans-14111.4171.4-118.7-173.917700112.9S388S388-E390 PolarHBondContact O-N 3.18Å
391A25.3Very low27.3Very low94 Ų94147.9 Ų147.978%0.77782%0.821SS**SBendtrans-112.516.7-178.700000115.2
392L26.3Very low27.6Very low159 Ų159156.1 Ų156.183%0.83283%0.831SS**SBendtrans-125.28.5-178.1-89.5167.5000116.7
393L26.4Very low27.4Very low170 Ų170156.9 Ų156.989%0.8983%0.83SS**SBendtrans-134.645.2179.8-71.6174.3000114.6
394K26Very low27.6Very low199 Ų199156.5 Ų156.587%0.86583%0.826SS**  trans-13680.5160.5-82.4-174178.2174.40110.1
395N28.7Very low27.4Very low167 Ų167153.6 Ų153.689%0.89382%0.823SS**SBendtrans-170.5145.4142.3-85.3-29.3000107.8
396G26.9Very low27.5Very low71 Ų71154.6 Ų154.673%0.73283%0.827SS**  trans-50.6169.2-165.400000116.9
397V29.2Very low27.4Very low144 Ų144151 Ų15187%0.87382%0.822SS**  -156144.459.6165.80000110.8
398V27.7Very low27.4Very low142 Ų142149.7 Ų149.786%0.86182%0.818SS**  trans-93116.9166.4172.10000108.4
399D30.4Very low27.4Very low158 Ų158155.6 Ų155.685%0.84583%0.834SS**  trans179.9135.8142.9-131.4-16.2000105.9
400G27.6Very low27.5Very low59 Ų59154.6 Ų154.661%0.60884%0.835SS**  125.795.351.900000108.3
401R27.1Very low27.5Very low237 Ų237154.8 Ų154.889%0.89483%0.833SS**  trans54.2120.4164.4-52.4-174.9-168.3-1753.8120
402R30.3Very low27.6Very low239 Ų239160 Ų16090%0.90284%0.838SS**  176.6148.6102.9-99177.1-75.3-174.9-0.9112.5
403D27Very low27.7Very low166 Ų166158.7 Ų158.789%0.88884%0.837SS**  trans-56.4150174.1-60.6-65.7000113.6
404G28.3Very low27.9Very low69 Ų69156.2 Ų156.271%0.71183%0.831SS**  trans99.278.9165.900000114.3
405E27.5Very low28Very low183 Ų183155.2 Ų155.286%0.85583%0.834SS**  trans167.676.3146.1-94.1171-170.600109.3
406L27.4Very low28Very low180 Ų180151.2 Ų151.294%0.94282%0.824SS**  trans-116.429.7166.4-101.9165.4000110.8
407S26.3Very low27.9Very low106 Ų106155.6 Ų155.674%0.74183%0.831SS**SBendtrans-126.443.6-179.266.40000112.7
408E28.4Very low27.8Very low171 Ų171154.9 Ų154.980%0.79983%0.831SS**SBendtrans-153.510.7166.1-132.3171.1171.500116.8
409F27.7Very low27.7Very low209 Ų209153.8 Ų153.892%0.91783%0.829SS**THydrogen-bonded Turntrans-102.926.5-176.8-138.3-96.4000115.4
410V27.9Very low27.4Very low144 Ų144154.5 Ų154.587%0.87383%0.832SS**THydrogen-bonded Turntrans-121.95.7174.1-178.80000113.1
411K26.2Very low27.4Very low184 Ų184156 Ų15680%0.884%0.839SS**SBendtrans-112.985.5174.8-71.9-178.3-178.4173.70111.2
412K26Very low27.4Very low203 Ų203149.9 Ų149.988%0.88383%0.828SS**  trans16385.9147.7-90.5162-175.3179.80110.2
413V28.2Very low27.2Very low132 Ų132144.9 Ų144.980%0.883%0.83SS**  trans-122.8118.7150.4178.80000105.5L415V413-L415 PolarHBondContact O-N 3.11Å
414P32.2Very low27.2Very low118 Ų118143.8 Ų143.877%0.76682%0.822SS**  trans-70.1115172.8-5.421000108.2A416P414-A416 VanDerWaalsContact C-N 3.26Å; P414-A416 PolarHBondContact O-N 3.31Å
415L27.2Very low27.2Very low177 Ų177148.6 Ų148.693%0.92783%0.826SS**  trans-69.290.1158.3-76.7164.8000107.3V413V413-L415 PolarHBondContact O-N 3.11Å
416A27.8Very low27.3Very low83 Ų83147.5 Ų147.569%0.68682%0.821SS**  trans-86.5129.616200000108.2P414P414-A416 VanDerWaalsContact C-N 3.26Å; P414-A416 PolarHBondContact O-N 3.31Å
417N25.9Very low27.4Very low164 Ų164149.9 Ų149.988%0.87782%0.817SS**  trans94.558.8176.9-53.3-14.3000116.9
418C27.9Very low27.5Very low129 Ų129150.3 Ų150.387%0.87282%0.815SS**  trans-118.9105.2138.2-91.60000108.2L420C418-L420 PolarHBondContact O-N 3.46Å
419S24.7Very low27.5Very low119 Ų119148.6 Ų148.683%0.83281%0.812SS**  trans-77.296.3166580000108.8
420L24.5Very low27.6Very low172 Ų172145.9 Ų145.990%0.90180%0.802SS**  trans-157.888160.5-107.2142.4000108C418C418-L420 PolarHBondContact O-N 3.46Å
421A26.8Very low27.7Very low91 Ų91150.6 Ų150.675%0.75280%0.804SS**  trans-135.1101.6158.400000106.4
422T27Very low27.9Very low109 Ų109151.6 Ų151.667%0.66981%0.809SS**  76.296.196.7-45.10000112.3I424T422-I424 HydrophobicContact CG2-CB 4.5Å; T422-I424 HydrophobicContact CG2-CD1 3.71Å; T422-I424 HydrophobicContact CG2-CG1 3.67Å
423S27.1Very low28Very low134 Ų134147.9 Ų147.994%0.93781%0.805SS**  trans-95109.4148.2-78.80000108
424I25.6Very low28.2Very low142 Ų142147.1 Ų147.173%0.72881%0.806SS**  trans-104120.9158.9-73.5165.4000105.8T422T422-I424 HydrophobicContact CG2-CB 4.5Å; T422-I424 HydrophobicContact CG2-CD1 3.71Å; T422-I424 HydrophobicContact CG2-CG1 3.67Å
425Q29.2Very low27.9Very low171 Ų171149.5 Ų149.580%0.79981%0.811SS**  trans-169.3131.8138.3-109.6171-6.700112.7
426H29.2Very low28.2Very low159 Ų159146.6 Ų146.674%0.73680%0.803SS**  trans75.699.7158.2-75.4-70.5000121.6
427R28.9Very low28.3Very low231 Ų231153.2 Ų153.287%0.87281%0.81SS**  173.1104.1103.8-93.8-178.6179.1-173.4-0.3108.6
428T28.4Very low28.5Very low114 Ų114152 Ų15270%0.69980%0.802SS**  59.6121.5101.455.70000115.2
429D29.5Very low28.3Very low135 Ų135152.4 Ų152.472%0.72280%0.796SS**  trans98.8110.8148.5-75.5-38.6000121.7
430Q30.2Very low28.4Very low153 Ų153152 Ų15272%0.71579%0.793SS**  trans73.9100.8136.4-59.9-172.932.300119.4
431R29Very low28.5Very low243 Ų243150.1 Ų150.192%0.91779%0.788SS**  179.7146.992-90.3-178.2-174.7-1591.2111.6
432K29.8Very low28.4Very low205 Ų205154.4 Ų154.489%0.89179%0.79SS**  trans-73.4167.5-171.2-92.9178178.1178.70114.7
433P29.1Very low28.2Very low124 Ų124154.4 Ų154.481%0.80579%0.79SS**  trans-95161.8-168.738-33.1000113.7
434S31.6Very low28.2Very low117 Ų117156.5 Ų156.582%0.81878%0.782SS**  trans-138.5103.7169.661.40000112.7
435L27.2Very low28.3Very low168 Ų168156.8 Ų156.888%0.8879%0.785SS**  trans-170143.1145.5-95.3159.8000103.2
436P33.3Very low28.2Very low116 Ų116152.8 Ų152.875%0.75378%0.782SS**  cis-146.5-176.137.138.3-16.5000115
437R29.3Very low28Very low222 Ų222152 Ų15284%0.83879%0.788SS**  trans-165.1120.5145.5-101.4-172.2172.4-178.5-0.4112.5
438I30Very low27.9Very low137 Ų137145.9 Ų145.970%0.70378%0.78SS**  69.4144.6128.7-57.3168.3000118.1
439D24.9Very low27.9Very low139 Ų139145.4 Ų145.474%0.74378%0.782SS**  cis171.7145.8-34.1-114-30.6000106.4
440S25.4Very low27.9Very low110 Ų110143.9 Ų143.977%0.76978%0.781SS**  trans68.2142.7159.575.20000118.6
441V26.8Very low27.7Very low133 Ų133144 Ų14481%0.80679%0.786SS**  -158.2152.752.4170.30000112.5
442F25Very low27.9Very low181 Ų181144.7 Ų144.779%0.79479%0.789SS**  trans-59.8144.6175.2-96.3-105.3000118.5
443T23.6Very low27.9Very low108 Ų108138.6 Ų138.666%0.66378%0.784SS**  trans38.5132.3133.964.50000123.8
444K26.7Very low28Very low178 Ų178136.4 Ų136.477%0.77478%0.784SS**  140.1132.9108-106.7171.6-177.1-179.90115.8
445N26.2Very low28Very low148 Ų148139.3 Ų139.379%0.79179%0.785SS**  trans69.2150.5145.2-58.8-14.2000118.6
446A28Very low28.2Very low88 Ų88137.7 Ų137.773%0.72778%0.777SS**  cis-157.8143.315.800000108.6
447V24.5Very low28Very low143 Ų143144.6 Ų144.687%0.86779%0.788SS**  50.1116.494.9-1720000117.7
448S27.1Very low28.1Very low102 Ų102142 Ų14271%0.71379%0.791SS**  trans115.7108.5139.8-151.10000120.7
449S27.8Very low28.1Very low104 Ų104139 Ų13973%0.72779%0.794SS**  trans53.9124.7132.9670000122.4
450S30.6Very low28.2Very low102 Ų102138.9 Ų138.971%0.71380%0.798SS**  171.6126.395.6-158.40000114.3
451L26.7Very low28.4Very low157 Ų157140.3 Ų140.382%0.82280%0.797SS**  trans46.6119.3139.3-65.4166.9000123.8
452R33.2Very low28.3Very low256 Ų256141.7 Ų141.797%0.96680%0.799SS**  155.7133.5129.2-88176.9-163.1-117.32.9107.4
453G29.5Very low28.4Very low77 Ų77137.3 Ų137.379%0.79479%0.791SS**  cis172.1153.22.200000108.1
454G30.3Very low28.8Very low78 Ų78137.7 Ų137.780%0.80480%0.798SS**  trans81.1139.1166.500000116.1
455E31.8Very low28.6Very low179 Ų179137.6 Ų137.684%0.83681%0.805SS**  cis-165.4158.44.4-100.9173.7172.700107.2
456N32.1Very low28.9Very low134 Ų134135.6 Ų135.672%0.71780%0.8SS**  trans75.683.4164.5-63.7-19.9000120.3
457W27.6Very low29Very low260 Ų260139.8 Ų139.899%0.98581%0.805SS**  trans-135.598.9137.9-80.482.6000109.5
458N31.4Very low28.9Very low168 Ų168140.7 Ų140.790%0.89880%0.804SS**  trans-113.7119.5161.4-87.4-28.7000107
459G30.8Very low28.9Very low74 Ų74142.2 Ų142.276%0.76380%0.804SS**  trans167.652.3-178.700000113N461G459-N461 PolarHBondContact O-N 2.94Å
460V27.7Very low28.7Very low137 Ų137144.7 Ų144.783%0.8381%0.808SS**  trans-71119.3160.3176.50000107
461N28.7Very low28.5Very low139 Ų139143.9 Ų143.974%0.74380%0.802SS**  trans-139.398.4153.4-156.3-11.8000109.6G459 S463G459-N461 PolarHBondContact O-N 2.94Å; N461-S463 PolarHBondContact OD1-OG 3.36Å
462L24.2Very low28.6Very low162 Ų162144.7 Ų144.785%0.84881%0.808SS**  trans-95.6101.4162-91.5153.5000106.1
463S28.6Very low28.1Very low90 Ų90139.7 Ų139.763%0.62980%0.799SS**  trans-173138.7155.849.50000111.5N461N461-S463 PolarHBondContact OD1-OG 3.36Å
464S30.4Very low28.1Very low115 Ų115145.4 Ų145.480%0.80480%0.802SS**  trans80.774.616768.60000119.4
465L23.7Very low27.9Very low176 Ų176147.7 Ų147.792%0.92181%0.806SS**  trans-73139.7130.9-77.9159.7000108.2
466P31.9Very low27.7Very low106 Ų106144.3 Ų144.369%0.68880%0.8SS**  trans-123.4125.6144.531.6-18.7000111.6
467E29.7Very low27.3Very low177 Ų177147 Ų14783%0.82781%0.805SS**  trans68.499.5132-61.3-176168.400119.4N469E467-N469 PolarHBondContact O-N 3.19Å
468L23.5Very low27.3Very low162 Ų162144.1 Ų144.185%0.84880%0.799SS**  trans-36120.4131.6-75.7153.8000111.4
469N27.4Very low26.9Very low134 Ų134142.7 Ų142.772%0.71779%0.792SS**  trans-130.695.9153.1-153.4-19.4000109.7E467 S471E467-N469 PolarHBondContact O-N 3.19Å; N469-S471 PolarHBondContact OD1-OG 3Å; N469-S471 VanDerWaalsContact OD1-OG 3.13Å
470L23.2Very low26.7Very low156 Ų156145.6 Ų145.682%0.81780%0.795SS**  trans-8998.6164.1-82.7163.2000107.5
471S27Very low26.4Very low84 Ų84143.7 Ų143.759%0.58779%0.788SS**  trans-159.286.9158.848.60000110.6N469N469-S471 PolarHBondContact OD1-OG 3Å; N469-S471 VanDerWaalsContact OD1-OG 3.13Å
472N27.9Very low26.2Very low175 Ų175146 Ų14694%0.93679%0.794SS**  trans-168.571143.5-93.5-22.9000108.7
473L23.4Very low26.3Very low150 Ų150147.4 Ų147.479%0.78579%0.793SS**  trans-106113.5159.2-105.4150.5000105.4
474F28.4Very low26.2Very low197 Ų197151.6 Ų151.686%0.86480%0.802SS**  trans162.193.1142.7-87.6-64.4000110.4
475S26.2Very low25.9Very low127 Ų127153.6 Ų153.689%0.88880%0.804SS**  -171.4124.5127.6-85.30000109.8
476P27Very low26Very low107 Ų107154 Ų15470%0.69580%0.798SS**  trans-105.3167-167.241.8-35.8000113.4
477K23.8Very low25.7Very low192 Ų192156.8 Ų156.884%0.83581%0.807SS**  trans79.4113.4159.2-53.9-177.8-178.3178.90117.7
478K27.5Very low25.4Very low198 Ų198157.5 Ų157.586%0.86181%0.81SS**  -163105.4100.1-103.6175-176.4176.70111
479D23.7Very low25.6Very low138 Ų138153.9 Ų153.974%0.73880%0.804SS**  trans-66.9130.9155.7-157.7-16.6000108S481D479-S481 PolarHBondContact OD1-N 3.33Å; D479-S481 PolarHBondContact OD1-OG 3.47Å
480T26.5Very low25.6Very low135 Ų135157.2 Ų157.283%0.82881%0.812SS**  trans-13769.8164.9200000108.6
481S22.3Very low25.8Very low97 Ų97158.3 Ų158.368%0.67882%0.818SS**  trans-91.9102.1153.8-50.50000107.2D479D479-S481 PolarHBondContact OD1-N 3.33Å; D479-S481 PolarHBondContact OD1-OG 3.47Å
482Q24.9Very low25.6Very low188 Ų188157.9 Ų157.988%0.87983%0.826SS**  trans153.7106.2155.6-89.5175.810.200110.1
483K25.9Very low25.7Very low191 Ų191153.9 Ų153.983%0.8381%0.812SS**  trans-158.2127.1147.3-110.1173-171.7-177.60109.2
484H26.6Very low26.1Very low178 Ų178153.6 Ų153.682%0.82481%0.81SS**  trans105.269.8169.8-56.9-60.2000117.2
485L23Very low26.2Very low158 Ų158150.5 Ų150.583%0.82781%0.807SS**  trans-144.9144.3134.5-106.7140.9000108
486F25.2Very low26.3Very low183 Ų183147.8 Ų147.880%0.80380%0.799SS**  trans81.1103.1-176.2-74.4-90.3000118.2
487N27Very low26.4Very low166 Ų166152 Ų15289%0.88881%0.81SS**  -151.1110.1118.1-98.3-19000110.5
488H23.7Very low26.5Very low191 Ų191153.2 Ų153.288%0.88482%0.815SS**  trans-135.997.6157-129.9-77.5000105.3
489A27.8Very low26.5Very low87 Ų87148.1 Ų148.172%0.71981%0.809SS**  trans-167.5110.7159.800000110.5
490K26.5Very low26.7Very low204 Ų204151.1 Ų151.189%0.88782%0.816SS**  trans43.6106.9137.6-75.2175.2170.9177.50118.2
491L27.5Very low26.7Very low179 Ų179149.4 Ų149.494%0.93781%0.81SS**  trans-123.3100.4131.1-89.5162.9000108
492G23.5Very low27.1Very low74 Ų74149.4 Ų149.476%0.76381%0.81SS**  trans-98.1122.1153.300000106.7
493S29.7Very low27.3Very low91 Ų91151.1 Ų151.164%0.63681%0.808SS**  trans-163.7104.2162.11680000110.1
494I31.6Very low27.4Very low145 Ų145148.2 Ų148.274%0.74480%0.798SS**  70.596.1129.6-53.2169.8000116.5
495T29.4Very low27.5Very low132 Ų132151.2 Ų151.281%0.8180%0.803SS**  14.6133.1127.354.30000119.3
496G28.5Very low27.9Very low69 Ų69150.7 Ų150.771%0.71180%0.795SS**  119.6106.3127.200000117.5
497Q30.3Very low28.2Very low197 Ų197148.8 Ų148.892%0.92179%0.788SS**  trans74.4108.9142.6-66.8175.8-13.300119.7
498K25.4Very low28.4Very low217 Ų217147.8 Ų147.894%0.94378%0.783SS**  trans-120.6118.1142.2-89.7-175176179.10108.7
499A26.8Very low28.7Very low90 Ų90142.7 Ų142.774%0.74478%0.782SS**  trans-151.9145.9152.800000108.5
500F28.6Very low28.8Very low202 Ų202142.6 Ų142.689%0.88679%0.79SS**  trans87.381.3175.2-75.1-86.8000120
501S26.7Very low28.9Very low99 Ų99142.3 Ų142.369%0.69279%0.791SS**  36.4118.6103.8-1650000121
502S29.9Very low29.2Very low97 Ų97144.7 Ų144.768%0.67879%0.788SS**  130118.5120.6-79.30000117.5
503R30.3Very low29.6Very low223 Ų223147.8 Ų147.884%0.84279%0.787SS**  trans44.6145.5135.6-66.2-176.5179.5171.1-0.5119.1
504Q28.4Very low29.7Very low131 Ų131150.1 Ų150.161%0.61279%0.791SS**  cis-177.5139.41-114.6177.5-35.500103.4
505Y28.1Very low29.7Very low240 Ų240151.3 Ų151.394%0.94179%0.793SS**  trans-150.2120.8147.2-100.9-78.7000109.8
506F31.8Very low29.5Very low147 Ų147152.7 Ų152.765%0.64580%0.796SS**  trans-57.1167.4164.1-87.7-115.9000111.1
507Q31.7Very low29.7Very low144 Ų144153.5 Ų153.567%0.67380%0.795SS**  cis-171.1158.1-2.3-127.8178.4-10.900107.7
508N31.1Very low29.6Very low144 Ų144152.2 Ų152.277%0.7779%0.789SS**  trans76.1122.6145.2-65.3-12000123.5
509G29.5Very low29.8Very low85 Ų85149.8 Ų149.888%0.87679%0.786SS**  141.3106.5127.400000117.2
510G28.9Very low30Very low85 Ų85150.1 Ų150.188%0.87678%0.778SS**  trans137.785.515000000118.1
511E30.1Very low30Very low197 Ų197148.1 Ų148.192%0.92178%0.776SS**  trans-74.9146.5163.6-71.5179.413900112.7
512R33Very low29.9Very low230 Ų230150.9 Ų150.987%0.86878%0.783SS**  trans-155.2115.3141.9-93.8-169.3-176.5-171.60.1111.3
513L31.8Very low30Very low139 Ų139151.9 Ų151.973%0.72879%0.79SS**  59.9136.2125.6-60.3169.3000118.4
514L31.7Very low29.9Very low139 Ų139146.1 Ų146.173%0.72878%0.784SS**  cis-170.915416.8-105.6156.8000110.3
515H32Very low29.9Very low171 Ų171145 Ų14579%0.79279%0.791SS**  trans85.9108.9146.6-104.256000122.8
516N26.2Very low30.1Very low161 Ų161140.5 Ų140.586%0.86178%0.782SS**  trans-98.2146.8151.7-89.8-24.5000109.6
517A31.3Very low30.1Very low85 Ų85141.6 Ų141.670%0.70279%0.794SS**  trans-178111.4145.100000107.5
518E28.9Very low30Very low171 Ų171138.4 Ų138.480%0.79980%0.8SS**  84.6125.876.1-91.2-169.6160.200115.3
519L29.9Very low29.9Very low165 Ų165137.7 Ų137.786%0.86480%0.801SS**  177.7101.8128-90.6163000106.8
520V30Very low30.1Very low97 Ų97141.6 Ų141.659%0.58880%0.795SS**  69114.672.1-177.40000109.4
521L29Very low30.4Very low161 Ų161142.7 Ų142.784%0.84379%0.786SS**  -152.1140.165.3-77.5161.8000113.5
522N24.7Very low30.5Very low156 Ų156138.4 Ų138.483%0.83478%0.777SS**  trans-126.6135.4160.4-135.22.2000105.5
523S31.2Very low30.6Very low118 Ų118137.8 Ų137.883%0.82578%0.775SS**  trans-146.1112.4162.259.30000110.4
524S28.2Very low30.7Very low103 Ų103138.4 Ų138.472%0.7277%0.774SS**  trans-89.5145.3169.8-28.60000109.4
525S29.3Very low30.8Very low107 Ų107137.4 Ų137.475%0.74877%0.774SS**  140.9145127.571.10000115.6
526L32.6Very low31Very low146 Ų146138.2 Ų138.276%0.76478%0.776SS**  trans90.3104.8155.4-63.1163000120.2
527L31.1Very low31.7Very low170 Ų170137.5 Ų137.589%0.8977%0.771SS**  38.5126.5124.9-74.8160.3000119.6
528G29.8Very low32.3Very low77 Ų77144.6 Ų144.679%0.79480%0.797SS**  trans160.493.1156.500000114.5
529T29.8Very low32.5Very low129 Ų129143.3 Ų143.379%0.79180%0.797SS**  trans-62.6131.5163.745.60000111.4
530H33.3Very low32.6Very low166 Ų166142.2 Ų142.277%0.76979%0.793SS**  173.8121.4126.4-103.4-78.4000113.2
531T33.9Very low32.7Very low109 Ų109144.7 Ų144.767%0.66981%0.805SS**  trans30.8119.9137.345.30000122.2
532S33.4Very low33Very low107 Ų107143.7 Ų143.775%0.74880%0.803SS**  79.7128.6125.5660000122
533R34.3Very low33.5Very low217 Ų217142.9 Ų142.982%0.81980%0.801SS**  trans114.3123.3138.7-91.3177.2170-179.60119
534Q35Very low33.6Very low152 Ų152144.6 Ų144.671%0.7180%0.799SS**  trans80.5102.2137.5-83.9157.2-42.500120.8
535T33.8Very low34Very low117 Ų117147.6 Ų147.672%0.71881%0.805SS**  13.2122.3121.950.90000118.1
536F36.1Very low34.4Very low189 Ų189150.7 Ų150.783%0.82981%0.809SS**  -169.3114.5128.2-110.4-86.1000109.7
537L39.4Very low34.5Very low145 Ų145151.1 Ų151.176%0.75981%0.813SS**  trans34.9110138.6-68.7169.5000119.8
538D44.4Very low34.8Very low235 Ų235149.4 Ų149.4100%1.25781%0.806SS**  -168.10100-94.9-17.8000110.6

Retrieved 538 of 538 residues in 1339.5 ms (Link to these results)

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