A0A096N138_PAPAN Loading...

Aldo-keto reductase family 1 member A1

AlphaFold DB (H9ETZ9), UniProt , Accession A0A096N138, Species PAPAN (Papio anubis, Olive baboon), Gene AKR1A1, Length 325 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
1M54.8Low88.5Confident130 Ų13056.8 Ų56.864%0.6435%0.351SS*.  0137.90-65.2-153.4-82.500109.4C5 R42M1-C5 VanDerWaalsContact CE-SG 3.53Å; M1-R42 HydrophobicContact CG-CB 4.46Å; M1-R42 HydrophobicContact CG-CG 3.86Å; M1-R42 HydrophobicContact SD-CB 3.71Å; M1-R42 HydrophobicContact SD-CG 3.74Å
2A64.7Low89.3Confident50 Ų5054.9 Ų54.941%0.41334%0.335SS..  trans-80.8-21.6179.900000113.5G40 I274A2-G40 PolarHBondContact N-O 3.49Å; A2-I274 HydrophobicContact CB-CD1 3.87Å; A2-I274 HydrophobicContact CB-CG1 4.16Å
3A73.6Confident90.1Very high12 Ų1262.1 Ų62.110%0.09936%0.358CS..SBendtrans-106.3144.6179.500000112.6P15 I17 I274 F277A3-P15 HydrophobicContact CB-CB 4.46Å; A3-I17 HydrophobicContact CB-CB 4.38Å; A3-I274 HydrophobicContact CB-CD1 4.22Å; A3-I274 HydrophobicContact CB-CG1 4.18Å; A3-F277 VanDerWaalsContact CA-CE2 3.44Å; A3-F277 HydrophobicContact CB-CD2 4.41Å; A3-F277 HydrophobicContact CB-CE2 3.48Å; A3-F277 VanDerWaalsContact CB-CE2 3.48Å; A3-F277 HydrophobicContact CB-CZ 3.7Å
4S92.3Very high90.7Very high65 Ų6557.6 Ų57.646%0.45533%0.333SS..  trans-68.7159.8165.5-650000110.8L16S4-L16 WeakPolarHBondContact O-CB 3.34Å; S4-L16 PolarHBondContact O-N 2.9Å
5C97.6Very high91.2Very high42 Ų4254.1 Ų54.128%0.28431%0.312SS..EExtended strand (participates in β ladder)trans-119.8158.1-179.2-51.80000111.8M1 K13 M14M1-C5 VanDerWaalsContact CE-SG 3.53Å; C5-K13 HydrophobicContact CB-CB 3.9Å; C5-M14 CarbonylContact C-O 3.53Å; C5-M14 VanDerWaalsContact CA-O 3.23Å; C5-M14 WeakPolarHBondContact CA-O 3.29Å; C5-M14 WeakPolarHBondContact CB-O 3.33Å
6V98.1Very high91.7Very high16 Ų1650.9 Ų50.910%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-99.8158.4157.8-66.50000109.4K13 M14 L16 E206 K257 I259V6-K13 WeakPolarHBondContact O-CA 3.22Å; V6-M14 HydrophobicContact CG2-CB 4.27Å; V6-M14 PolarHBondContact N-O 2.99Å; V6-M14 PolarHBondContact O-N 3.48Å; V6-L16 HydrophobicContact CG1-CD2 3.72Å; V6-L16 HydrophobicContact CG1-CG 4.13Å; V6-E206 HydrophobicContact CB-CG 4.48Å; V6-E206 HydrophobicContact CG2-CB 4.44Å; V6-E206 HydrophobicContact CG2-CG 4.05Å; V6-K257 HydrophobicContact CG1-CB 4.38Å; V6-I259 HydrophobicContact CG2-CD1 3.7Å; V6-I259 HydrophobicContact CG2-CG1 3.81Å
7L98.5Very high92.1Very high109 Ų10947.9 Ų47.957%0.57128%0.277SS*.EExtended strand (participates in β ladder)trans-100.9115.7178-170.469.9000108.4G11 K13L7-G11 WeakPolarHBondContact CD1-O 3.26Å; L7-K13 HydrophobicContact CD1-CG 4.25Å
8L98.8Very high92.5Very high3 Ų345.2 Ų45.22%0.01626%0.261CS..  trans-68.8158.4171.3-54.9-172.1000109.7T10 G11 Q12 M14 F76 A181 V182 E206L8-T10 PolarHBondContact O-N 3.28Å; L8-G11 PolarHBondContact O-N 3.02Å; L8-Q12 HydrophobicContact CB-CB 4.41Å; L8-Q12 HydrophobicContact CD1-CB 4.16Å; L8-Q12 HydrophobicContact CG-CB 4.38Å; L8-Q12 PolarHBondContact N-O 2.94Å; L8-M14 HydrophobicContact CD1-CB 4.34Å; L8-M14 HydrophobicContact CD1-SD 4.18Å; L8-M14 HydrophobicContact CD2-CB 4.06Å; L8-M14 HydrophobicContact CD2-SD 4.06Å; L8-M14 HydrophobicContact CG-CB 4.11Å; L8-F76 HydrophobicContact CD1-CE2 4.17Å; L8-F76 HydrophobicContact CD1-CZ 4.08Å; L8-A181 HydrophobicContact CD1-CB 4.26Å; L8-V182 HydrophobicContact CD1-CG2 4.18Å; L8-V182 HydrophobicContact CD2-CG2 3.81Å; L8-E206 HydrophobicContact CD2-CB 3.88Å; L8-E206 HydrophobicContact CD2-CG 3.65Å
9H98.5Very high92.8Very high88 Ų8843 Ų4341%0.40725%0.248SC..THydrogen-bonded Turntrans-60-20.117668.569.4000113.5G11 R179 P180 A181 G204H9-G11 PolarHBondContact O-N 2.86Å; H9-R179 PolarHBondContact CE1-O 3.38Å; H9-R179 VanDerWaalsContact CE1-O 3.26Å; H9-R179 PolarHBondContact NE2-O 3.24Å; H9-R179 VanDerWaalsContact NE2-O 3.16Å; H9-P180 PolarHBondContact NE2-O 2.88Å; H9-A181 WeakPolarHBondContact NE2-CA 3.38Å; H9-A181 WeakPolarHBondContact NE2-CB 3.38Å; H9-A181 PolarHBondContact NE2-N 3.14Å; H9-G204 PolarHBondContact CD2-O 2.94Å
10T98.3Very high93.1Very high62 Ų6241.1 Ų41.138%0.3824%0.238SC..THydrogen-bonded Turntrans-73.5-8.3172.361.60000113.9L8 Q12 A158L8-T10 PolarHBondContact O-N 3.28Å; T10-Q12 VanDerWaalsContact C-N 3.32Å; T10-Q12 PolarHBondContact OG1-N 2.73Å; T10-Q12 PolarHBondContact OG1-OE1 2.63Å; T10-A158 HydrophobicContact CG2-CB 4.1Å
11G98.4Very high93.4Very high48 Ų4839.1 Ų39.150%0.49523%0.227SC..SBendtrans85-2.2-172.600000114.4L7 L8 H9L7-G11 WeakPolarHBondContact CD1-O 3.26Å; L8-G11 PolarHBondContact O-N 3.02Å; H9-G11 PolarHBondContact O-N 2.86Å
12Q98.6Very high95.3Very high34 Ų3436.8 Ų36.816%0.15921%0.211CC..  trans-68.4137.5174.6-72.4166.5-88.600111.1L8 T10 F76 D108L8-Q12 HydrophobicContact CB-CB 4.41Å; L8-Q12 HydrophobicContact CD1-CB 4.16Å; L8-Q12 HydrophobicContact CG-CB 4.38Å; L8-Q12 PolarHBondContact N-O 2.94Å; T10-Q12 VanDerWaalsContact C-N 3.32Å; T10-Q12 PolarHBondContact OG1-N 2.73Å; T10-Q12 PolarHBondContact OG1-OE1 2.63Å; Q12-F76 HydrophobicContact CB-CE2 4.37Å; Q12-D108 PolarHBondContact NE2-O 2.64Å
13K98.7Very high96.7Very high148 Ų14836.6 Ų36.664%0.64320%0.201SC*.EExtended strand (participates in β ladder)trans-87.1109.3169.9-66178.9-175.8174.70108.9C5 V6 L7C5-K13 HydrophobicContact CB-CB 3.9Å; V6-K13 WeakPolarHBondContact O-CA 3.22Å; L7-K13 HydrophobicContact CD1-CG 4.25Å
14M98.8Very high97.6Very high0 Ų036.2 Ų36.20%020%0.197CC..EExtended strand (participates in β ladder)trans-97.3118.5177.4-169.5167.6-179.800109.8C5 V6 L8 L16 H43 F76 L109 V182 I259C5-M14 CarbonylContact C-O 3.53Å; C5-M14 VanDerWaalsContact CA-O 3.23Å; C5-M14 WeakPolarHBondContact CA-O 3.29Å; C5-M14 WeakPolarHBondContact CB-O 3.33Å; V6-M14 HydrophobicContact CG2-CB 4.27Å; V6-M14 PolarHBondContact N-O 2.99Å; V6-M14 PolarHBondContact O-N 3.48Å; L8-M14 HydrophobicContact CD1-CB 4.34Å; L8-M14 HydrophobicContact CD1-SD 4.18Å; L8-M14 HydrophobicContact CD2-CB 4.06Å; L8-M14 HydrophobicContact CD2-SD 4.06Å; L8-M14 HydrophobicContact CG-CB 4.11Å; M14-L16 PolarHBondContact O-N 3.39Å; M14-H43 WeakPolarHBondContact CE-CE1 3.38Å; M14-F76 HydrophobicContact CB-CD2 4.33Å; M14-F76 HydrophobicContact CB-CE2 3.98Å; M14-F76 HydrophobicContact CB-CZ 4.26Å; M14-F76 HydrophobicContact CE-CD1 4.3Å; M14-F76 HydrophobicContact CE-CE1 3.66Å; M14-F76 HydrophobicContact CE-CZ 4.1Å; M14-F76 HydrophobicContact CG-CD1 4.26Å; M14-F76 HydrophobicContact CG-CD2 4.23Å; M14-F76 HydrophobicContact CG-CE1 3.97Å; M14-F76 HydrophobicContact CG-CE2 3.93Å; M14-F76 HydrophobicContact CG-CG 4.38Å; M14-F76 HydrophobicContact CG-CZ 3.8Å; M14-F76 HydrophobicContact SD-CE1 3.83Å; M14-F76 HydrophobicContact SD-CE2 4.29Å; M14-F76 HydrophobicContact SD-CZ 3.62Å; M14-L109 HydrophobicContact CE-CD2 3.78Å; M14-L109 HydrophobicContact SD-CD2 4.3Å; M14-V182 HydrophobicContact SD-CG2 3.81Å; M14-I259 HydrophobicContact CB-CD1 4.43Å; M14-I259 HydrophobicContact CE-CD1 4.11Å; M14-I259 HydrophobicContact CE-CG2 4.44Å; M14-I259 HydrophobicContact CG-CD1 3.97Å; M14-I259 HydrophobicContact SD-CD1 3.6Å; M14-I259 VanDerWaalsContact SD-CD1 3.6Å
15P98.8Very high97.4Very high4 Ų438.5 Ų38.53%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-60.4132.7178.4-25.735.7000112.3A3 I17 R42 H43 I259A3-P15 HydrophobicContact CB-CB 4.46Å; P15-I17 PolarHBondContact O-N 3.31Å; P15-R42 HydrophobicContact CG-CB 4.26Å; P15-H43 HydrophobicContact CB-CB 3.81Å; P15-H43 HydrophobicContact CG-CB 3.82Å; P15-H43 PolarHBondContact O-ND1 3.22Å; P15-I259 WeakPolarHBondContact O-CG2 3.26Å
16L98.8Very high96.8Very high3 Ų339.7 Ų39.72%0.01621%0.208CC..SBendtrans-63.8-19179.8-83.1167.3000113.3S4 V6 M14 V254 I259 C260 F277S4-L16 WeakPolarHBondContact O-CB 3.34Å; S4-L16 PolarHBondContact O-N 2.9Å; V6-L16 HydrophobicContact CG1-CD2 3.72Å; V6-L16 HydrophobicContact CG1-CG 4.13Å; M14-L16 PolarHBondContact O-N 3.39Å; L16-V254 HydrophobicContact CB-CG1 4.04Å; L16-V254 HydrophobicContact CD1-CB 4.38Å; L16-I259 HydrophobicContact CD2-CG1 4.11Å; L16-I259 CarbonylContact O-C 3.58Å; L16-I259 WeakPolarHBondContact O-CA 3.4Å; L16-C260 PolarHBondContact O-N 2.94Å; L16-F277 HydrophobicContact CB-CE1 4.06Å; L16-F277 HydrophobicContact CB-CZ 3.94Å; L16-F277 HydrophobicContact CD1-CE1 4.02Å
17I98.9Very high96.3Very high0 Ų042 Ų420%024%0.235CC..BIsolated β-bridgetrans-122.6123.2171.8-63.4-63.7000108.9A3 P15 Y41 L250 V254 C260 I274 V276 F277A3-I17 HydrophobicContact CB-CB 4.38Å; P15-I17 PolarHBondContact O-N 3.31Å; I17-Y41 HydrophobicContact CG2-CD1 4.37Å; I17-Y41 HydrophobicContact CG2-CE1 3.54Å; I17-L250 HydrophobicContact CD1-CD2 4.26Å; I17-V254 HydrophobicContact CD1-CG1 3.85Å; I17-V254 HydrophobicContact CG1-CG1 4.24Å; I17-C260 CarbonylContact C-O 3.46Å; I17-C260 WeakPolarHBondContact CA-O 3.38Å; I17-C260 HydrophobicContact CD1-CB 3.89Å; I17-I274 HydrophobicContact CB-CG1 4.4Å; I17-I274 HydrophobicContact CG2-CB 4.24Å; I17-I274 HydrophobicContact CG2-CG1 4.23Å; I17-V276 HydrophobicContact CD1-CG2 4.04Å; I17-V276 HydrophobicContact CG1-CG2 3.9Å; I17-F277 HydrophobicContact CG1-CE2 3.92Å; I17-F277 HydrophobicContact CG1-CZ 3.82Å
18G98.8Very high96.1Very high0 Ų041.2 Ų41.20%023%0.229CC..  trans-118.4166.516700000112.3H43 C260 I261 P262G18-H43 CarbonylContact C-O 3.58Å; G18-H43 WeakPolarHBondContact CA-O 3.44Å; G18-C260 PolarHBondContact N-O 3.24Å; G18-I261 WeakPolarHBondContact O-CA 3.44Å; G18-P262 WeakPolarHBondContact O-CD 3.31Å
19L98.9Very high96.1Very high3 Ų341.1 Ų41.12%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-90.5117172.1179.869.3000109.3V33 A36 Y41 H43 I44 D45 I270L19-V33 HydrophobicContact CD2-CG2 4.17Å; L19-A36 HydrophobicContact CB-CB 4.43Å; L19-A36 HydrophobicContact CD2-CB 3.79Å; L19-Y41 HydrophobicContact CB-CD1 4.04Å; L19-Y41 HydrophobicContact CB-CE1 4.16Å; L19-H43 PolarHBondContact N-O 2.98Å; L19-I44 HydrophobicContact CB-CD1 3.9Å; L19-I44 HydrophobicContact CD2-CD1 4.29Å; L19-D45 PolarHBondContact O-N 3.36Å; L19-I270 HydrophobicContact CD1-CG1 4.35Å
20G98.6Very high96.1Very high4 Ų439.6 Ų39.64%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-75.6141.3168.500000111.5P262 K263G20-P262 PolarHBondContact N-O 3.44Å; G20-K263 WeakPolarHBondContact O-CA 3.36Å; G20-K263 WeakPolarHBondContact O-CB 3.41Å; G20-K263 WeakPolarHBondContact O-CG 3.35Å
21T98.4Very high96.1Very high0 Ų039.9 Ų39.90%023%0.229CC..  trans-116.6-0.2-175.360.60000114.9K23 S24 V29 I44 D45 N52 I56T21-K23 PolarHBondContact O-N 3.03Å; T21-S24 WeakPolarHBondContact O-CB 3.49Å; T21-S24 PolarHBondContact O-N 3.31Å; T21-V29 HydrophobicContact CG2-CG2 4.33Å; T21-I44 HydrophobicContact CG2-CG2 3.95Å; T21-D45 WeakPolarHBondContact CB-O 3.42Å; T21-D45 WeakPolarHBondContact CG2-O 3.49Å; T21-D45 PolarHBondContact N-O 2.98Å; T21-D45 PolarHBondContact OG1-O 2.96Å; T21-N52 PolarHBondContact O-ND2 3.04Å; T21-I56 HydrophobicContact CG2-CD1 3.86Å
22W95.8Very high96.1Very high82 Ų8237.8 Ų37.831%0.31121%0.207SC..THydrogen-bonded Turntrans-59.9131.1176.1-179.843.9000111.9S24 Y50 W220 K263 I299W22-S24 PolarHBondContact O-N 3.07Å; W22-Y50 HydrophobicContact CB-CD1 4.14Å; W22-Y50 HydrophobicContact CB-CD2 4.14Å; W22-Y50 HydrophobicContact CB-CE1 3.95Å; W22-Y50 HydrophobicContact CB-CE2 3.95Å; W22-Y50 HydrophobicContact CB-CG 4.26Å; W22-Y50 AromaticContact CD1-CD1 3.54Å; W22-Y50 AromaticContact CD1-CE1 3.75Å; W22-Y50 HydrophobicContact CG-CD1 4.11Å; W22-Y50 AromaticContact CG-CE1 3.98Å; W22-Y50 HydrophobicContact CG-CE1 3.98Å; W22-W220 HydrophobicContact CH2-CH2 4.25Å; W22-W220 HydrophobicContact CZ2-CH2 4.36Å; W22-K263 WeakPolarHBondContact O-CD 3.44Å; W22-K263 WeakPolarHBondContact O-CE 3.5Å; W22-K263 VanDerWaalsContact O-CG 3.3Å; W22-K263 WeakPolarHBondContact O-CG 3.21Å; W22-I299 HydrophobicContact CH2-CD1 4.22Å; W22-I299 HydrophobicContact CZ3-CD1 4.11Å
23K92.9Very high96.1Very high46 Ų4636.1 Ų36.120%0.220%0.199CC..THydrogen-bonded Turntrans61.116.7-173.5-46.8176-175.31640115T21 E25 D217 R218 K263T21-K23 PolarHBondContact O-N 3.03Å; K23-E25 PolarHBondContact O-N 3.11Å; K23-D217 PolarHBondContact NZ-O 2.89Å; K23-D217 IonicContact NZ-OD1 2.72Å; K23-D217 PolarHBondContact NZ-OD1 3.06Å; K23-D217 IonicContact NZ-OD2 3.83Å; K23-R218 VanDerWaalsContact NZ-CA 3.34Å; K23-K263 WeakPolarHBondContact O-CE 3.38Å; K23-K263 PolarHBondContact O-NZ 3.5Å
24S92.6Very high96.1Very high3 Ų332.2 Ų32.22%0.02118%0.182CC..  trans-83.699.5164.9-65.10000106.2T21 W22 N52 K263 I265T21-S24 WeakPolarHBondContact O-CB 3.49Å; T21-S24 PolarHBondContact O-N 3.31Å; W22-S24 PolarHBondContact O-N 3.07Å; S24-N52 PolarHBondContact O-ND2 3.26Å; S24-K263 WeakPolarHBondContact OG-CE 3.39Å; S24-I265 WeakPolarHBondContact OG-CG2 3.47Å
25E89.4Confident96.1Very high113 Ų11335.6 Ų35.653%0.52820%0.195SC..  trans-63.4151.9-171.5-61.7-61.5159.700112K23 G27 Q28 V29K23-E25 PolarHBondContact O-N 3.11Å; E25-G27 PolarHBondContact O-N 3.09Å; E25-Q28 PolarHBondContact O-N 3.37Å; E25-V29 PolarHBondContact O-N 3.34Å; E25-V29 VanDerWaalsContact O-N 3.12Å
26P84.4Confident96.1Very high67 Ų6735.4 Ų35.444%0.43519%0.194SC..THydrogen-bonded Turntrans-43.2135.3158.5-32.140000112.1Q28 E55P26-Q28 VanDerWaalsContact C-N 3.35Å; P26-E55 VanDerWaalsContact CA-CD 3.42Å; P26-E55 WeakPolarHBondContact CA-OE1 3.24Å; P26-E55 VanDerWaalsContact CA-OE2 3.3Å; P26-E55 WeakPolarHBondContact CA-OE2 3.41Å; P26-E55 WeakPolarHBondContact CB-OE1 3.48Å
27G88Confident96Very high65 Ų6535.5 Ų35.567%0.6719%0.194SC*.THydrogen-bonded Turntrans88.2-13.7-172.500000115.1E25 E55E25-G27 PolarHBondContact O-N 3.09Å; G27-E55 PolarHBondContact N-OE1 3.38Å; G27-E55 PolarHBondContact N-OE2 3.26Å
28Q94.8Very high96Very high93 Ų9339.7 Ų39.744%0.43522%0.224SC..THydrogen-bonded Turntrans-119.7-35.3179.9-61.3-179.5-30.500113E25 P26 K30 A31 A32 I265E25-Q28 PolarHBondContact O-N 3.37Å; P26-Q28 VanDerWaalsContact C-N 3.35Å; Q28-K30 VanDerWaalsContact C-N 3.31Å; Q28-K30 PolarHBondContact O-N 3.4Å; Q28-A31 PolarHBondContact O-N 3Å; Q28-A32 PolarHBondContact O-N 3.5Å; Q28-I265 HydrophobicContact CB-CD1 4.41Å; Q28-I265 HydrophobicContact CB-CG2 4.44Å
29V97.3Very high96Very high1 Ų141.2 Ų41.21%0.00623%0.233CC..Hα-helixtrans-62.4-37.1-173.171.40000112.6T21 E25 A31 A32 V33 N52 E55 I56T21-V29 HydrophobicContact CG2-CG2 4.33Å; E25-V29 PolarHBondContact O-N 3.34Å; E25-V29 VanDerWaalsContact O-N 3.12Å; V29-A31 PolarHBondContact O-N 3.29Å; V29-A32 WeakPolarHBondContact O-CB 3.33Å; V29-A32 PolarHBondContact O-N 3.47Å; V29-V33 HydrophobicContact CG2-CG2 4.24Å; V29-V33 WeakPolarHBondContact O-CG2 3.27Å; V29-V33 PolarHBondContact O-N 3.22Å; V29-N52 HydrophobicContact CG1-CB 4.23Å; V29-E55 HydrophobicContact CG1-CB 3.63Å; V29-I56 HydrophobicContact CG1-CG1 4.14Å; V29-I56 HydrophobicContact CG2-CD1 4Å; V29-I56 HydrophobicContact CG2-CG1 3.58Å
30K98.1Very high96Very high55 Ų5541.7 Ų41.724%0.23924%0.239CC..Hα-helixtrans-56.4-50.7177.9-177.5171.2-171.9170.60111.5Q28 A32 V33 K34 E58 A59 E62Q28-K30 VanDerWaalsContact C-N 3.31Å; Q28-K30 PolarHBondContact O-N 3.4Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.77Å; K30-V33 PolarHBondContact O-N 3.01Å; K30-K34 WeakPolarHBondContact O-CG 3.23Å; K30-K34 PolarHBondContact O-N 3.22Å; K30-E58 HydrophobicContact CD-CB 4.3Å; K30-E58 IonicContact NZ-OE2 3.86Å; K30-E58 PolarHBondContact NZ-OE2 3.05Å; K30-A59 HydrophobicContact CB-CB 4.49Å; K30-A59 HydrophobicContact CG-CB 3.94Å; K30-E62 WeakPolarHBondContact CE-OE1 3.36Å; K30-E62 IonicContact NZ-OE1 2.6Å; K30-E62 PolarHBondContact NZ-OE1 3.47Å
31A98.3Very high96Very high68 Ų6841.5 Ų41.556%0.56224%0.237SC*.Hα-helixtrans-63.3-39.3178.500000112.3Q28 V29 Y35Q28-A31 PolarHBondContact O-N 3Å; V29-A31 PolarHBondContact O-N 3.29Å; A31-Y35 WeakPolarHBondContact O-CB 3.26Å; A31-Y35 PolarHBondContact O-N 3.2Å
32A98.6Very high96Very high4 Ų443.3 Ų43.33%0.03324%0.244CC..Hα-helixtrans-63.4-44.1177.200000112.2Q28 V29 K30 Y35 A36 I265 I270Q28-A32 PolarHBondContact O-N 3.5Å; V29-A32 WeakPolarHBondContact O-CB 3.33Å; V29-A32 PolarHBondContact O-N 3.47Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.77Å; A32-Y35 PolarHBondContact O-N 3.12Å; A32-A36 WeakPolarHBondContact O-CB 3.36Å; A32-A36 PolarHBondContact O-N 2.94Å; A32-I265 HydrophobicContact CB-CB 4.34Å; A32-I265 HydrophobicContact CB-CG2 4.09Å; A32-I270 HydrophobicContact CB-CD1 4.09Å
33V98.7Very high96.1Very high0 Ų039.4 Ų39.40%023%0.229CC..Hα-helixtrans-64.1-50177.5172.10000110.8L19 V29 K30 Y35 A36 L37 I56 A59 L60L19-V33 HydrophobicContact CD2-CG2 4.17Å; V29-V33 HydrophobicContact CG2-CG2 4.24Å; V29-V33 WeakPolarHBondContact O-CG2 3.27Å; V29-V33 PolarHBondContact O-N 3.22Å; K30-V33 PolarHBondContact O-N 3.01Å; V33-Y35 VanDerWaalsContact C-N 3.31Å; V33-Y35 PolarHBondContact O-N 2.99Å; V33-A36 PolarHBondContact O-N 3.32Å; V33-A36 VanDerWaalsContact O-N 3.15Å; V33-L37 HydrophobicContact CG1-CD1 4.09Å; V33-L37 HydrophobicContact CG1-CG 4.4Å; V33-L37 WeakPolarHBondContact O-CG 3.39Å; V33-L37 PolarHBondContact O-N 3.01Å; V33-I56 HydrophobicContact CG2-CG1 4.25Å; V33-I56 HydrophobicContact CG2-CG2 4.34Å; V33-A59 HydrophobicContact CB-CB 3.87Å; V33-A59 HydrophobicContact CG1-CB 3.73Å; V33-L60 HydrophobicContact CG1-CD2 4.06Å
34K98.6Very high96.4Very high66 Ų6637.2 Ų37.229%0.28722%0.219SC..Hα-helixtrans-57.9-44.6178-66.2-166.972.81640111.9K30 L37 S38 A59 E62 D63K30-K34 WeakPolarHBondContact O-CG 3.23Å; K30-K34 PolarHBondContact O-N 3.22Å; K34-L37 PolarHBondContact O-N 2.99Å; K34-S38 PolarHBondContact O-N 3.39Å; K34-A59 HydrophobicContact CG-CB 4.04Å; K34-E62 IonicContact NZ-OE2 2.95Å; K34-E62 PolarHBondContact NZ-OE2 3.47Å; K34-D63 WeakPolarHBondContact CE-OD1 3.45Å; K34-D63 WeakPolarHBondContact CE-OD2 3.27Å; K34-D63 WeakPolarHBondContact CG-OD2 3.37Å; K34-D63 IonicContact NZ-OD1 3.27Å
35Y98.7Very high96.7Very high70 Ų7037.2 Ų37.228%0.27522%0.219SC..Hα-helixtrans-64-42.9176.8-172.9-91.1000112A31 A32 V33 L37 S38 V39 P267 I270 L271A31-Y35 WeakPolarHBondContact O-CB 3.26Å; A31-Y35 PolarHBondContact O-N 3.2Å; A32-Y35 PolarHBondContact O-N 3.12Å; V33-Y35 VanDerWaalsContact C-N 3.31Å; V33-Y35 PolarHBondContact O-N 2.99Å; Y35-L37 PolarHBondContact O-N 2.91Å; Y35-S38 PolarHBondContact O-N 3.44Å; Y35-S38 PolarHBondContact O-OG 3.05Å; Y35-V39 HydrophobicContact CD1-CG1 4.17Å; Y35-V39 HydrophobicContact CD1-CG2 4.39Å; Y35-V39 HydrophobicContact CE1-CG1 3.62Å; Y35-V39 HydrophobicContact CE1-CG2 4.19Å; Y35-V39 HydrophobicContact CE2-CG1 4.16Å; Y35-V39 WeakPolarHBondContact O-CG2 3.36Å; Y35-V39 PolarHBondContact O-N 3.38Å; Y35-V39 VanDerWaalsContact O-N 3.08Å; Y35-P267 HydrophobicContact CD1-CB 3.96Å; Y35-P267 HydrophobicContact CD2-CB 4.05Å; Y35-P267 HydrophobicContact CE1-CB 3.72Å; Y35-P267 WeakPolarHBondContact CE1-O 3.43Å; Y35-P267 HydrophobicContact CE2-CB 3.82Å; Y35-P267 HydrophobicContact CG-CB 4.12Å; Y35-I270 HydrophobicContact CD1-CB 4.02Å; Y35-I270 HydrophobicContact CD1-CD1 4.2Å; Y35-I270 HydrophobicContact CD1-CG2 3.9Å; Y35-I270 HydrophobicContact CE1-CB 4.21Å; Y35-I270 HydrophobicContact CE1-CG2 4.3Å; Y35-L271 HydrophobicContact CE1-CB 4.24Å
36A98.8Very high97.2Very high0 Ų031.8 Ų31.80%019%0.194CC..Hα-helixtrans-59.9-46.2176.900000111.6L19 A32 V33 S38 V39 G40 Y41 I270L19-A36 HydrophobicContact CB-CB 4.43Å; L19-A36 HydrophobicContact CD2-CB 3.79Å; A32-A36 WeakPolarHBondContact O-CB 3.36Å; A32-A36 PolarHBondContact O-N 2.94Å; V33-A36 PolarHBondContact O-N 3.32Å; V33-A36 VanDerWaalsContact O-N 3.15Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.01Å; A36-V39 WeakPolarHBondContact O-CG2 3.38Å; A36-V39 PolarHBondContact O-N 3.45Å; A36-G40 PolarHBondContact O-N 2.92Å; A36-Y41 HydrophobicContact CB-CD1 4.44Å; A36-Y41 HydrophobicContact CB-CD2 3.8Å; A36-Y41 HydrophobicContact CB-CE2 4.44Å; A36-Y41 HydrophobicContact CB-CG 3.81Å; A36-Y41 VanDerWaalsContact O-CB 3.26Å; A36-Y41 WeakPolarHBondContact O-CB 3.16Å; A36-Y41 WeakPolarHBondContact O-CD2 3.1Å; A36-Y41 PolarHBondContact O-N 3.4Å; A36-I270 HydrophobicContact CB-CG2 3.82Å
37L98.6Very high97.9Very high5 Ų528.6 Ų28.63%0.02617%0.173CC..Hα-helixtrans-59.8-42.8177.4-67.6175.3000112V33 K34 Y35 V39 G40 R42 L60 D63 V64 L75V33-L37 HydrophobicContact CG1-CD1 4.09Å; V33-L37 HydrophobicContact CG1-CG 4.4Å; V33-L37 WeakPolarHBondContact O-CG 3.39Å; V33-L37 PolarHBondContact O-N 3.01Å; K34-L37 PolarHBondContact O-N 2.99Å; Y35-L37 PolarHBondContact O-N 2.91Å; L37-V39 PolarHBondContact O-N 3.34Å; L37-G40 PolarHBondContact O-N 3.21Å; L37-R42 PolarHBondContact O-NH1 3.31Å; L37-L60 HydrophobicContact CD1-CD2 4.31Å; L37-D63 HydrophobicContact CD1-CB 3.99Å; L37-V64 HydrophobicContact CD1-CG2 3.82Å; L37-L75 HydrophobicContact CD2-CD1 3.72Å
38S98.4Very high98.4Very high89 Ų8927.7 Ų27.762%0.62216%0.159SC*.Hα-helixtrans-67.8-32.4-178.977.50000113.1K34 Y35 A36 G40K34-S38 PolarHBondContact O-N 3.39Å; Y35-S38 PolarHBondContact O-N 3.44Å; Y35-S38 PolarHBondContact O-OG 3.05Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.01Å; S38-G40 VanDerWaalsContact C-N 3.29Å
39V98.3Very high98.5Very high31 Ų3125.1 Ų25.119%0.18815%0.148CC..THydrogen-bonded Turntrans-897.8175.5-53.90000114Y35 A36 L37 Y41 I270 L271Y35-V39 HydrophobicContact CD1-CG1 4.17Å; Y35-V39 HydrophobicContact CD1-CG2 4.39Å; Y35-V39 HydrophobicContact CE1-CG1 3.62Å; Y35-V39 HydrophobicContact CE1-CG2 4.19Å; Y35-V39 HydrophobicContact CE2-CG1 4.16Å; Y35-V39 WeakPolarHBondContact O-CG2 3.36Å; Y35-V39 PolarHBondContact O-N 3.38Å; Y35-V39 VanDerWaalsContact O-N 3.08Å; A36-V39 WeakPolarHBondContact O-CG2 3.38Å; A36-V39 PolarHBondContact O-N 3.45Å; L37-V39 PolarHBondContact O-N 3.34Å; V39-Y41 HydrophobicContact CG2-CD2 3.97Å; V39-Y41 HydrophobicContact CG2-CE2 4.17Å; V39-I270 HydrophobicContact CG2-CG2 4.25Å; V39-L271 HydrophobicContact CB-CD1 3.82Å; V39-L271 HydrophobicContact CG1-CD1 4.03Å; V39-L271 HydrophobicContact CG2-CD1 4.29Å
40G98.3Very high98.6Very high13 Ų1327.1 Ų27.113%0.13416%0.156CC..THydrogen-bonded Turntrans102.412.3166.700000116.2A2 A36 L37 S38A2-G40 PolarHBondContact N-O 3.49Å; A36-G40 PolarHBondContact O-N 2.92Å; L37-G40 PolarHBondContact O-N 3.21Å; S38-G40 VanDerWaalsContact C-N 3.29Å
41Y98.8Very high98.6Very high1 Ų127.1 Ų27.10%0.00417%0.172CC..  trans-63.8141.4167-78.4-109.6000110.4I17 L19 A36 V39 I270 N273 I274I17-Y41 HydrophobicContact CG2-CD1 4.37Å; I17-Y41 HydrophobicContact CG2-CE1 3.54Å; L19-Y41 HydrophobicContact CB-CD1 4.04Å; L19-Y41 HydrophobicContact CB-CE1 4.16Å; A36-Y41 HydrophobicContact CB-CD1 4.44Å; A36-Y41 HydrophobicContact CB-CD2 3.8Å; A36-Y41 HydrophobicContact CB-CE2 4.44Å; A36-Y41 HydrophobicContact CB-CG 3.81Å; A36-Y41 VanDerWaalsContact O-CB 3.26Å; A36-Y41 WeakPolarHBondContact O-CB 3.16Å; A36-Y41 WeakPolarHBondContact O-CD2 3.1Å; A36-Y41 PolarHBondContact O-N 3.4Å; V39-Y41 HydrophobicContact CG2-CD2 3.97Å; V39-Y41 HydrophobicContact CG2-CE2 4.17Å; Y41-I270 HydrophobicContact CD2-CG2 4.22Å; Y41-I270 HydrophobicContact CE2-CG2 3.63Å; Y41-I270 WeakPolarHBondContact CE2-O 3.3Å; Y41-I270 PolarHBondContact OH-O 3.17Å; Y41-N273 WeakPolarHBondContact OH-CB 3.19Å; Y41-I274 HydrophobicContact CD1-CD1 4.24Å; Y41-I274 HydrophobicContact CD2-CB 4.26Å; Y41-I274 HydrophobicContact CD2-CD1 3.58Å; Y41-I274 HydrophobicContact CD2-CG2 4.37Å; Y41-I274 HydrophobicContact CE1-CD1 4.42Å; Y41-I274 HydrophobicContact CE2-CB 3.56Å; Y41-I274 HydrophobicContact CE2-CD1 3.78Å; Y41-I274 HydrophobicContact CE2-CG1 4.25Å; Y41-I274 HydrophobicContact CE2-CG2 3.74Å; Y41-I274 HydrophobicContact CG-CD1 3.82Å; Y41-I274 PolarHBondContact OH-N 3.36Å
42R98.8Very high98.6Very high37 Ų3724 Ų2414%0.1415%0.145CC..  trans-13621.2175.3-69.1-61.1-178.5-90.14.8111.7M1 P15 L37 E74 F76M1-R42 HydrophobicContact CG-CB 4.46Å; M1-R42 HydrophobicContact CG-CG 3.86Å; M1-R42 HydrophobicContact SD-CB 3.71Å; M1-R42 HydrophobicContact SD-CG 3.74Å; P15-R42 HydrophobicContact CG-CB 4.26Å; L37-R42 PolarHBondContact O-NH1 3.31Å; R42-E74 WeakPolarHBondContact CB-O 3.43Å; R42-E74 WeakPolarHBondContact CD-O 3.42Å; R42-E74 IonicContact NE-OE2 2.67Å; R42-F76 WeakPolarHBondContact O-CB 3.39Å; R42-F76 PolarHBondContact O-N 2.85Å
43H98.9Very high98.6Very high0 Ų023.9 Ų23.90%014%0.144CC..EExtended strand (participates in β ladder)trans-143.3123.3176.4174.8-166.1000109.2M14 P15 G18 L19 F76M14-H43 WeakPolarHBondContact CE-CE1 3.38Å; P15-H43 HydrophobicContact CB-CB 3.81Å; P15-H43 HydrophobicContact CG-CB 3.82Å; P15-H43 PolarHBondContact O-ND1 3.22Å; G18-H43 CarbonylContact C-O 3.58Å; G18-H43 WeakPolarHBondContact CA-O 3.44Å; L19-H43 PolarHBondContact N-O 2.98Å; H43-F76 CarbonylContact C-O 3.58Å; H43-F76 VanDerWaalsContact CA-O 3.23Å; H43-F76 WeakPolarHBondContact CA-O 3.32Å; H43-F76 HydrophobicContact CB-CB 4.28Å; H43-F76 AromaticContact CD2-CD1 3.8Å
44I98.9Very high98.6Very high0 Ų026.7 Ų26.70%016%0.163CC..EExtended strand (participates in β ladder)trans-122.5129.1175.6-48.5-64.2000108.6L19 T21 L75 F76 T78L19-I44 HydrophobicContact CB-CD1 3.9Å; L19-I44 HydrophobicContact CD2-CD1 4.29Å; T21-I44 HydrophobicContact CG2-CG2 3.95Å; I44-L75 HydrophobicContact CG1-CD1 4.21Å; I44-F76 PolarHBondContact N-O 3.35Å; I44-T78 PolarHBondContact O-N 2.84Å
45D98.9Very high98.6Very high3 Ų325.8 Ų25.82%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-103.7118.3175.1176.3-91.2000110.2L19 T21 K80 Q184 I261L19-D45 PolarHBondContact O-N 3.36Å; T21-D45 WeakPolarHBondContact CB-O 3.42Å; T21-D45 WeakPolarHBondContact CG2-O 3.49Å; T21-D45 PolarHBondContact N-O 2.98Å; T21-D45 PolarHBondContact OG1-O 2.96Å; D45-K80 IonicContact OD1-NZ 2.76Å; D45-K80 PolarHBondContact OD1-NZ 3.24Å; D45-K80 WeakPolarHBondContact OD2-CE 3.39Å; D45-K80 IonicContact OD2-NZ 3.17Å; D45-K80 PolarHBondContact OD2-NZ 2.86Å; D45-Q184 PolarHBondContact OD2-NE2 2.89Å; D45-I261 HydrophobicContact CB-CB 4.11Å; D45-I261 HydrophobicContact CB-CD1 3.86Å; D45-I261 HydrophobicContact CB-CG2 3.83Å; D45-I261 WeakPolarHBondContact OD1-CD1 3.27Å
46C98.9Very high98.6Very high0 Ų022.5 Ų22.50%015%0.146CC..  trans-117173.8-179.2-53.40000110.8E53 T78 K80C46-E53 HydrophobicContact CB-CG 4.4Å; C46-T78 WeakPolarHBondContact CA-O 3.17Å; C46-T78 VanDerWaalsContact CB-O 3.26Å; C46-T78 WeakPolarHBondContact CB-O 3.43Å; C46-T78 PolarHBondContact N-O 2.81Å; C46-K80 PolarHBondContact O-NZ 2.62Å
47A98.8Very high98.6Very high0 Ų022.5 Ų22.50%015%0.146CC..  trans-162.6144.5160.600000108.8I49 Y50 K80A47-I49 HydrophobicContact CB-CG2 4.02Å; A47-I49 PolarHBondContact O-N 3.44Å; A47-I49 VanDerWaalsContact O-N 3.15Å; A47-Y50 HydrophobicContact CB-CD1 3.95Å; A47-Y50 HydrophobicContact CB-CD2 3.76Å; A47-Y50 HydrophobicContact CB-CE1 3.73Å; A47-Y50 HydrophobicContact CB-CE2 3.53Å; A47-Y50 HydrophobicContact CB-CG 3.94Å; A47-Y50 VanDerWaalsContact CB-CZ 3.49Å; A47-Y50 WeakPolarHBondContact O-CB 3.27Å; A47-Y50 PolarHBondContact O-N 3.08Å; A47-K80 HydrophobicContact CB-CB 3.88Å; A47-K80 HydrophobicContact CB-CD 4.04Å; A47-K80 HydrophobicContact CB-CG 3.89Å
48A98.6Very high98.6Very high45 Ų4526.3 Ų26.337%0.37216%0.164SC..G310 helixtrans-53-39.9176.400000112.5Y50 G51 E53A48-Y50 PolarHBondContact O-N 3.21Å; A48-Y50 VanDerWaalsContact O-N 3.15Å; A48-G51 PolarHBondContact O-N 2.78Å; A48-G51 VanDerWaalsContact O-N 3.12Å; A48-E53 WeakPolarHBondContact CA-OE2 3.3Å
49I98.4Very high98.6Very high40 Ų4022 Ų2221%0.20513%0.134CC..G310 helixtrans-65.9-15.9-178.9-166.756000114.2A47 G51 W82 H113 P124 F125A47-I49 HydrophobicContact CB-CG2 4.02Å; A47-I49 PolarHBondContact O-N 3.44Å; A47-I49 VanDerWaalsContact O-N 3.15Å; I49-G51 PolarHBondContact O-N 3.33Å; I49-W82 HydrophobicContact CB-CB 4.49Å; I49-W82 HydrophobicContact CB-CD2 3.67Å; I49-W82 HydrophobicContact CB-CE3 3.57Å; I49-W82 HydrophobicContact CB-CG 4.07Å; I49-W82 HydrophobicContact CB-CZ3 4.08Å; I49-W82 HydrophobicContact CD1-CD2 3.8Å; I49-W82 HydrophobicContact CD1-CE3 4.39Å; I49-W82 HydrophobicContact CD1-CG 4.13Å; I49-W82 HydrophobicContact CD1-CH2 4.46Å; I49-W82 HydrophobicContact CD1-CZ2 3.9Å; I49-W82 HydrophobicContact CG1-CD2 3.58Å; I49-W82 HydrophobicContact CG1-CE3 3.66Å; I49-W82 HydrophobicContact CG1-CG 4.26Å; I49-W82 HydrophobicContact CG1-CH2 3.86Å; I49-W82 HydrophobicContact CG1-CZ2 3.8Å; I49-W82 HydrophobicContact CG1-CZ3 3.79Å; I49-W82 HydrophobicContact CG2-CD2 4.25Å; I49-W82 HydrophobicContact CG2-CE3 3.61Å; I49-W82 HydrophobicContact CG2-CZ3 3.86Å; I49-H113 WeakPolarHBondContact CG2-CE1 3.39Å; I49-P124 HydrophobicContact CD1-CB 3.53Å; I49-P124 HydrophobicContact CD1-CG 4.31Å; I49-F125 HydrophobicContact CD1-CE2 3.81Å; I49-F125 HydrophobicContact CD1-CZ 3.82Å; I49-F125 HydrophobicContact CG1-CZ 4.12Å
50Y98.2Very high98.6Very high42 Ų4220.7 Ų20.717%0.16513%0.126CC..G310 helixtrans-74.7-12.8177.1-57-16.5000112.1W22 A47 A48 N52 K80 H113W22-Y50 HydrophobicContact CB-CD1 4.14Å; W22-Y50 HydrophobicContact CB-CD2 4.14Å; W22-Y50 HydrophobicContact CB-CE1 3.95Å; W22-Y50 HydrophobicContact CB-CE2 3.95Å; W22-Y50 HydrophobicContact CB-CG 4.26Å; W22-Y50 AromaticContact CD1-CD1 3.54Å; W22-Y50 AromaticContact CD1-CE1 3.75Å; W22-Y50 HydrophobicContact CG-CD1 4.11Å; W22-Y50 AromaticContact CG-CE1 3.98Å; W22-Y50 HydrophobicContact CG-CE1 3.98Å; A47-Y50 HydrophobicContact CB-CD1 3.95Å; A47-Y50 HydrophobicContact CB-CD2 3.76Å; A47-Y50 HydrophobicContact CB-CE1 3.73Å; A47-Y50 HydrophobicContact CB-CE2 3.53Å; A47-Y50 HydrophobicContact CB-CG 3.94Å; A47-Y50 VanDerWaalsContact CB-CZ 3.49Å; A47-Y50 WeakPolarHBondContact O-CB 3.27Å; A47-Y50 PolarHBondContact O-N 3.08Å; A48-Y50 PolarHBondContact O-N 3.21Å; A48-Y50 VanDerWaalsContact O-N 3.15Å; Y50-N52 WeakPolarHBondContact CB-OD1 3.4Å; Y50-N52 PolarHBondContact O-N 2.95Å; Y50-K80 PolarHBondContact OH-NZ 3.12Å; Y50-H113 AromaticContact CE1-CE1 3.82Å
51G97.8Very high98.6Very high56 Ų5625.9 Ų25.958%0.57715%0.145SC*.SBendtrans70.414.2172.900000114.6A48 I49A48-G51 PolarHBondContact O-N 2.78Å; A48-G51 VanDerWaalsContact O-N 3.12Å; I49-G51 PolarHBondContact O-N 3.33Å
52N98.4Very high98.6Very high1 Ų130 Ų301%0.00516%0.164CC..  trans-129.26.7-171.3641.9000114.1T21 S24 V29 Y50 P54 E55 I56T21-N52 PolarHBondContact O-ND2 3.04Å; S24-N52 PolarHBondContact O-ND2 3.26Å; V29-N52 HydrophobicContact CG1-CB 4.23Å; Y50-N52 WeakPolarHBondContact CB-OD1 3.4Å; Y50-N52 PolarHBondContact O-N 2.95Å; N52-P54 VanDerWaalsContact C-CD 3.5Å; N52-E55 PolarHBondContact O-N 3.02Å; N52-I56 WeakPolarHBondContact O-CG1 3.34Å; N52-I56 PolarHBondContact O-N 3.24Å
53E98.8Very high98.6Very high2 Ų229.8 Ų29.81%0.00917%0.166CC..Hα-helixtrans-57.2-39.5176.6-65.7-162.6136.400114.1C46 A48 E55 I56 G57 S79 T98 D101 L102C46-E53 HydrophobicContact CB-CG 4.4Å; A48-E53 WeakPolarHBondContact CA-OE2 3.3Å; E53-E55 PolarHBondContact O-N 2.94Å; E53-I56 PolarHBondContact O-N 2.88Å; E53-G57 PolarHBondContact O-N 3.45Å; E53-S79 WeakPolarHBondContact OE1-CB 3.48Å; E53-S79 PolarHBondContact OE1-OG 3.09Å; E53-T98 WeakPolarHBondContact OE2-CA 2.98Å; E53-T98 VanDerWaalsContact OE2-CB 3.32Å; E53-T98 WeakPolarHBondContact OE2-CB 3.37Å; E53-T98 WeakPolarHBondContact OE2-CG2 3.38Å; E53-T98 PolarHBondContact OE2-OG1 2.86Å; E53-D101 HydrophobicContact CB-CB 3.88Å; E53-L102 HydrophobicContact CB-CD2 3.92Å; E53-L102 HydrophobicContact CB-CG 4.13Å; E53-L102 HydrophobicContact CG-CD2 4.18Å; E53-L102 HydrophobicContact CG-CG 4.42Å
54P98.8Very high98.6Very high60 Ų6030.2 Ų30.239%0.3917%0.169SC..Hα-helixtrans-56.9-45.3177.8-2835.9000113.8N52 G57 E58 D101N52-P54 VanDerWaalsContact C-CD 3.5Å; P54-G57 PolarHBondContact O-N 3.37Å; P54-E58 PolarHBondContact O-N 3.05Å; P54-D101 WeakPolarHBondContact CA-O 3.49Å; P54-D101 HydrophobicContact CG-CB 4Å
55E98.6Very high98.5Very high47 Ų4730.7 Ų30.722%0.2217%0.173CC..Hα-helixtrans-73.6-31.8179.9-70.6-167.1-166.400113.2P26 G27 V29 N52 E53 G57 E58 A59P26-E55 VanDerWaalsContact CA-CD 3.42Å; P26-E55 WeakPolarHBondContact CA-OE1 3.24Å; P26-E55 VanDerWaalsContact CA-OE2 3.3Å; P26-E55 WeakPolarHBondContact CA-OE2 3.41Å; P26-E55 WeakPolarHBondContact CB-OE1 3.48Å; G27-E55 PolarHBondContact N-OE1 3.38Å; G27-E55 PolarHBondContact N-OE2 3.26Å; V29-E55 HydrophobicContact CG1-CB 3.63Å; N52-E55 PolarHBondContact O-N 3.02Å; E53-E55 PolarHBondContact O-N 2.94Å; E55-G57 VanDerWaalsContact C-N 3.28Å; E55-E58 PolarHBondContact O-N 3.32Å; E55-A59 PolarHBondContact O-N 3.39Å; E55-A59 VanDerWaalsContact O-N 3.13Å
56I98.8Very high98.4Very high0 Ų036.8 Ų36.80%021%0.213CC..Hα-helixtrans-61.3-45.4168.9-65.4164.3000108.6T21 V29 V33 N52 E53 E58 A59 L60 L102T21-I56 HydrophobicContact CG2-CD1 3.86Å; V29-I56 HydrophobicContact CG1-CG1 4.14Å; V29-I56 HydrophobicContact CG2-CD1 4Å; V29-I56 HydrophobicContact CG2-CG1 3.58Å; V33-I56 HydrophobicContact CG2-CG1 4.25Å; V33-I56 HydrophobicContact CG2-CG2 4.34Å; N52-I56 WeakPolarHBondContact O-CG1 3.34Å; N52-I56 PolarHBondContact O-N 3.24Å; E53-I56 PolarHBondContact O-N 2.88Å; I56-E58 VanDerWaalsContact C-N 3.31Å; I56-E58 PolarHBondContact O-N 3.38Å; I56-A59 WeakPolarHBondContact O-CA 3.38Å; I56-A59 VanDerWaalsContact O-CB 3.32Å; I56-A59 WeakPolarHBondContact O-CB 3.35Å; I56-A59 PolarHBondContact O-N 3.21Å; I56-L60 HydrophobicContact CG2-CD1 4.05Å; I56-L60 HydrophobicContact CG2-CG 4.17Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 2.87Å; I56-L102 HydrophobicContact CB-CD2 3.95Å; I56-L102 HydrophobicContact CG2-CD2 3.69Å
57G98.8Very high98.3Very high0 Ų041.3 Ų41.30%026%0.259CS..Hα-helixtrans-58.5-40.2177.300000113.2E53 P54 E55 A59 L60 K61 D101 L102 Q103E53-G57 PolarHBondContact O-N 3.45Å; P54-G57 PolarHBondContact O-N 3.37Å; E55-G57 VanDerWaalsContact C-N 3.28Å; G57-A59 PolarHBondContact O-N 3.19Å; G57-L60 PolarHBondContact O-N 3.49Å; G57-K61 VanDerWaalsContact O-CB 3.31Å; G57-K61 WeakPolarHBondContact O-CB 3.35Å; G57-K61 PolarHBondContact O-N 3.49Å; G57-D101 WeakPolarHBondContact CA-O 3.49Å; G57-L102 VanDerWaalsContact CA-C 3.46Å; G57-L102 WeakPolarHBondContact CA-O 3.27Å; G57-Q103 PolarHBondContact O-NE2 3.39Å
58E98.7Very high98.3Very high85 Ų8545.2 Ų45.240%0.39728%0.276SS..Hα-helixtrans-60.3-44171.5-66.7-177.9-169.400112.9K30 P54 E55 I56 K61 E62K30-E58 HydrophobicContact CD-CB 4.3Å; K30-E58 IonicContact NZ-OE2 3.86Å; K30-E58 PolarHBondContact NZ-OE2 3.05Å; P54-E58 PolarHBondContact O-N 3.05Å; E55-E58 PolarHBondContact O-N 3.32Å; I56-E58 VanDerWaalsContact C-N 3.31Å; I56-E58 PolarHBondContact O-N 3.38Å; E58-K61 PolarHBondContact O-N 3.36Å; E58-E62 WeakPolarHBondContact O-CG 3.48Å; E58-E62 PolarHBondContact O-N 2.83Å; E58-E62 VanDerWaalsContact O-N 3.12Å
59A98.4Very high98.2Very high0 Ų047 Ų470%029%0.291CS..Hα-helixtrans-60.2-46.1176.400000111.6K30 V33 K34 E55 I56 G57 E62 D63K30-A59 HydrophobicContact CB-CB 4.49Å; K30-A59 HydrophobicContact CG-CB 3.94Å; V33-A59 HydrophobicContact CB-CB 3.87Å; V33-A59 HydrophobicContact CG1-CB 3.73Å; K34-A59 HydrophobicContact CG-CB 4.04Å; E55-A59 PolarHBondContact O-N 3.39Å; E55-A59 VanDerWaalsContact O-N 3.13Å; I56-A59 WeakPolarHBondContact O-CA 3.38Å; I56-A59 VanDerWaalsContact O-CB 3.32Å; I56-A59 WeakPolarHBondContact O-CB 3.35Å; I56-A59 PolarHBondContact O-N 3.21Å; G57-A59 PolarHBondContact O-N 3.19Å; A59-E62 PolarHBondContact O-N 3.38Å; A59-D63 PolarHBondContact O-N 2.73Å
60L98.8Very high98.2Very high3 Ų345.3 Ų45.32%0.01628%0.283CS..Hα-helixtrans-64.7-40.6177.9-61.3-178.2000110.9V33 L37 I56 G57 E62 D63 V64 L75 V77 L104V33-L60 HydrophobicContact CG1-CD2 4.06Å; L37-L60 HydrophobicContact CD1-CD2 4.31Å; I56-L60 HydrophobicContact CG2-CD1 4.05Å; I56-L60 HydrophobicContact CG2-CG 4.17Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 2.87Å; G57-L60 PolarHBondContact O-N 3.49Å; L60-E62 PolarHBondContact O-N 3.05Å; L60-D63 PolarHBondContact O-N 2.89Å; L60-V64 HydrophobicContact CB-CG2 4.39Å; L60-V64 HydrophobicContact CD2-CG2 3.96Å; L60-V64 WeakPolarHBondContact O-CA 3.4Å; L60-V64 VanDerWaalsContact O-CB 3.22Å; L60-V64 WeakPolarHBondContact O-CB 3.28Å; L60-V64 PolarHBondContact O-N 3.22Å; L60-L75 HydrophobicContact CD2-CD2 3.68Å; L60-V77 HydrophobicContact CD1-CG2 4.46Å; L60-L104 HydrophobicContact CD1-CD1 4.12Å; L60-L104 HydrophobicContact CD1-CD2 4.33Å; L60-L104 HydrophobicContact CD1-CG 4.42Å
61K98.4Very high98.2Very high122 Ų12245.3 Ų45.353%0.5329%0.288SS..Hα-helixtrans-63.5-26176.6-159.4-155.3-161.1139.70112.3G57 E58 K68 Q103G57-K61 VanDerWaalsContact O-CB 3.31Å; G57-K61 WeakPolarHBondContact O-CB 3.35Å; G57-K61 PolarHBondContact O-N 3.49Å; E58-K61 PolarHBondContact O-N 3.36Å; K61-K68 WeakPolarHBondContact O-CE 3.16Å; K61-K68 PolarHBondContact O-NZ 2.95Å; K61-Q103 VanDerWaalsContact CE-OE1 3.29Å
62E98.4Very high98.3Very high88 Ų8844 Ų4441%0.41127%0.266SS..Hα-helixtrans-80.4-42.1176.9-72.1174-155.400112K30 K34 E58 A59 L60 K68K30-E62 WeakPolarHBondContact CE-OE1 3.36Å; K30-E62 IonicContact NZ-OE1 2.6Å; K30-E62 PolarHBondContact NZ-OE1 3.47Å; K34-E62 IonicContact NZ-OE2 2.95Å; K34-E62 PolarHBondContact NZ-OE2 3.47Å; E58-E62 WeakPolarHBondContact O-CG 3.48Å; E58-E62 PolarHBondContact O-N 2.83Å; E58-E62 VanDerWaalsContact O-N 3.12Å; A59-E62 PolarHBondContact O-N 3.38Å; L60-E62 PolarHBondContact O-N 3.05Å; E62-K68 WeakPolarHBondContact O-CD 3.38Å
63D98.1Very high98.2Very high31 Ų3151 Ų5117%0.16630%0.298CS..Hα-helixtrans-108.2-12.9-167.4-65-16.1000114.6K34 L37 A59 L60 K68 A69 V70K34-D63 WeakPolarHBondContact CE-OD1 3.45Å; K34-D63 WeakPolarHBondContact CE-OD2 3.27Å; K34-D63 WeakPolarHBondContact CG-OD2 3.37Å; K34-D63 IonicContact NZ-OD1 3.27Å; L37-D63 HydrophobicContact CD1-CB 3.99Å; A59-D63 PolarHBondContact O-N 2.73Å; L60-D63 PolarHBondContact O-N 2.89Å; D63-K68 WeakPolarHBondContact O-CB 3.44Å; D63-A69 PolarHBondContact O-N 2.96Å; D63-V70 PolarHBondContact O-N 2.97Å
64V98.8Very high98.2Very high10 Ų1055.4 Ų55.46%0.06132%0.319CS..BIsolated β-bridgetrans-122.5128.7-169.1-170.10000113.1L37 L60 K68 V70 R72 L75L37-V64 HydrophobicContact CD1-CG2 3.82Å; L60-V64 HydrophobicContact CB-CG2 4.39Å; L60-V64 HydrophobicContact CD2-CG2 3.96Å; L60-V64 WeakPolarHBondContact O-CA 3.4Å; L60-V64 VanDerWaalsContact O-CB 3.22Å; L60-V64 WeakPolarHBondContact O-CB 3.28Å; L60-V64 PolarHBondContact O-N 3.22Å; V64-K68 VanDerWaalsContact C-CD 3.44Å; V64-K68 WeakPolarHBondContact O-CD 3.48Å; V64-K68 PolarHBondContact O-NZ 3.14Å; V64-V70 CarbonylContact C-O 3.47Å; V64-V70 VanDerWaalsContact CA-O 3.23Å; V64-V70 WeakPolarHBondContact CA-O 3.41Å; V64-V70 HydrophobicContact CG2-CB 4.23Å; V64-R72 HydrophobicContact CG1-CB 4.25Å; V64-L75 HydrophobicContact CB-CD2 4.48Å; V64-L75 HydrophobicContact CG1-CB 4.35Å; V64-L75 HydrophobicContact CG1-CD2 3.92Å; V64-L75 HydrophobicContact CG2-CD2 3.9Å
65G98Very high98.2Very high10 Ų1052.7 Ų52.710%0.10330%0.301CS..SBendtrans122.3-168.7176.800000114.3G67 K68 V70G65-G67 PolarHBondContact O-N 3.06Å; G65-K68 PolarHBondContact O-N 3.09Å; G65-K68 VanDerWaalsContact O-N 3.13Å; G65-V70 PolarHBondContact N-O 2.68Å
66P96.8Very high98.2Very high131 Ų13150.8 Ų50.885%0.85129%0.292SS*.THydrogen-bonded Turntrans-57.2127.4-175.3-25.334.6000112.5K68P66-K68 VanDerWaalsContact C-N 3.27Å; P66-K68 PolarHBondContact O-N 2.89Å
67G96.3Very high98.2Very high94 Ų9450.8 Ų50.897%0.96929%0.292SS*.THydrogen-bonded Turntrans73.59.417900000115.5G65G65-G67 PolarHBondContact O-N 3.06Å
68K97.9Very high98.2Very high82 Ų8250.8 Ų50.836%0.35729%0.292SS..SBendtrans-108.7176.6178.8-61.5168.6-170.6166.40112.1K61 E62 D63 V64 G65 P66 V70K61-K68 WeakPolarHBondContact O-CE 3.16Å; K61-K68 PolarHBondContact O-NZ 2.95Å; E62-K68 WeakPolarHBondContact O-CD 3.38Å; D63-K68 WeakPolarHBondContact O-CB 3.44Å; V64-K68 VanDerWaalsContact C-CD 3.44Å; V64-K68 WeakPolarHBondContact O-CD 3.48Å; V64-K68 PolarHBondContact O-NZ 3.14Å; G65-K68 PolarHBondContact O-N 3.09Å; G65-K68 VanDerWaalsContact O-N 3.13Å; P66-K68 VanDerWaalsContact C-N 3.27Å; P66-K68 PolarHBondContact O-N 2.89Å; K68-V70 VanDerWaalsContact C-N 3.27Å; K68-V70 PolarHBondContact O-N 3.4Å
69A97.3Very high98.2Very high83 Ų8346.8 Ų46.869%0.68627%0.273SS*.SBendtrans-62.7-29.2-173.600000114.1D63D63-A69 PolarHBondContact O-N 2.96Å
70V98.4Very high98.3Very high4 Ų446.8 Ų46.82%0.02427%0.273CS..BIsolated β-bridgetrans-127120.1-179-1760000110.1D63 V64 G65 K68 E74 L75D63-V70 PolarHBondContact O-N 2.97Å; V64-V70 CarbonylContact C-O 3.47Å; V64-V70 VanDerWaalsContact CA-O 3.23Å; V64-V70 WeakPolarHBondContact CA-O 3.41Å; V64-V70 HydrophobicContact CG2-CB 4.23Å; G65-V70 PolarHBondContact N-O 2.68Å; K68-V70 VanDerWaalsContact C-N 3.27Å; K68-V70 PolarHBondContact O-N 3.4Å; V70-E74 HydrophobicContact CG1-CB 4.5Å; V70-L75 HydrophobicContact CG1-CB 4.49Å
71P98.4Very high98.3Very high42 Ų4246.7 Ų46.727%0.27327%0.273SS..  trans-60.6142.6170.2-20.932.5000111.1E73 E74P71-E73 VanDerWaalsContact C-N 3.27Å; P71-E73 HydrophobicContact CB-CG 4.25Å; P71-E73 WeakPolarHBondContact CB-OE2 3.37Å; P71-E73 PolarHBondContact O-N 3.49Å; P71-E74 HydrophobicContact CB-CB 4.47Å; P71-E74 HydrophobicContact CB-CG 4.13Å; P71-E74 HydrophobicContact CG-CG 4.15Å; P71-E74 PolarHBondContact O-N 3.05Å; P71-E74 VanDerWaalsContact O-N 3.11Å
72R98.6Very high98.3Very high29 Ų2941.9 Ų41.911%0.10925%0.251CS..G310 helixtrans-62.5-37.4-176.5170.259.5-169.994.1-8.5111.4V64 E74 L75 Y106 D108V64-R72 HydrophobicContact CG1-CB 4.25Å; R72-E74 PolarHBondContact O-N 3.06Å; R72-L75 PolarHBondContact NH1-O 3.38Å; R72-L75 PolarHBondContact O-N 3.26Å; R72-L75 VanDerWaalsContact O-N 3.15Å; R72-Y106 HydrophobicContact CG-CE1 4.2Å; R72-Y106 PolarHBondContact NH1-OH 3.17Å; R72-Y106 VanDerWaalsContact NH2-CE2 3.29Å; R72-Y106 PolarHBondContact NH2-O 2.82Å; R72-D108 IonicContact CZ-OD2 3.93Å; R72-D108 VanDerWaalsContact CZ-OD2 3.32Å; R72-D108 IonicContact NH1-OD1 3.82Å; R72-D108 IonicContact NH1-OD2 2.55Å; R72-D108 PolarHBondContact NH1-OD2 3.46Å; R72-D108 IonicContact NH2-OD2 3.12Å; R72-D108 PolarHBondContact NH2-OD2 3.16Å
73E97.9Very high98.3Very high148 Ų14837.7 Ų37.769%0.69223%0.232SC*.G310 helixtrans-68.8-16178.565.2-88.9-149.500114P71P71-E73 VanDerWaalsContact C-N 3.27Å; P71-E73 HydrophobicContact CB-CG 4.25Å; P71-E73 WeakPolarHBondContact CB-OE2 3.37Å; P71-E73 PolarHBondContact O-N 3.49Å
74E98.1Very high98.4Very high95 Ų9536.5 Ų36.544%0.44423%0.226SC..G310 helixtrans-87.6-12.8172.1-70.9-169-174.600112.9R42 V70 P71 R72R42-E74 WeakPolarHBondContact CB-O 3.43Å; R42-E74 WeakPolarHBondContact CD-O 3.42Å; R42-E74 IonicContact NE-OE2 2.67Å; V70-E74 HydrophobicContact CG1-CB 4.5Å; P71-E74 HydrophobicContact CB-CB 4.47Å; P71-E74 HydrophobicContact CB-CG 4.13Å; P71-E74 HydrophobicContact CG-CG 4.15Å; P71-E74 PolarHBondContact O-N 3.05Å; P71-E74 VanDerWaalsContact O-N 3.11Å; R72-E74 PolarHBondContact O-N 3.06Å
75L98.8Very high98.4Very high2 Ų238.1 Ų38.11%0.0123%0.232CC..  trans-98.5132.4-179.3-174.867.5000110.7L37 I44 L60 V64 V70 R72 V77 D108L37-L75 HydrophobicContact CD2-CD1 3.72Å; I44-L75 HydrophobicContact CG1-CD1 4.21Å; L60-L75 HydrophobicContact CD2-CD2 3.68Å; V64-L75 HydrophobicContact CB-CD2 4.48Å; V64-L75 HydrophobicContact CG1-CB 4.35Å; V64-L75 HydrophobicContact CG1-CD2 3.92Å; V64-L75 HydrophobicContact CG2-CD2 3.9Å; V70-L75 HydrophobicContact CG1-CB 4.49Å; R72-L75 PolarHBondContact NH1-O 3.38Å; R72-L75 PolarHBondContact O-N 3.26Å; R72-L75 VanDerWaalsContact O-N 3.15Å; L75-V77 HydrophobicContact CD2-CG2 3.59Å; L75-V77 HydrophobicContact CG-CG2 3.78Å; L75-D108 VanDerWaalsContact O-OD2 3.12Å
76F98.9Very high98.4Very high8 Ų837.7 Ų37.74%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-100115.7170.8-162.4-75.6000110.1L8 Q12 M14 R42 H43 I44 T78 D108 L109L8-F76 HydrophobicContact CD1-CE2 4.17Å; L8-F76 HydrophobicContact CD1-CZ 4.08Å; Q12-F76 HydrophobicContact CB-CE2 4.37Å; M14-F76 HydrophobicContact CB-CD2 4.33Å; M14-F76 HydrophobicContact CB-CE2 3.98Å; M14-F76 HydrophobicContact CB-CZ 4.26Å; M14-F76 HydrophobicContact CE-CD1 4.3Å; M14-F76 HydrophobicContact CE-CE1 3.66Å; M14-F76 HydrophobicContact CE-CZ 4.1Å; M14-F76 HydrophobicContact CG-CD1 4.26Å; M14-F76 HydrophobicContact CG-CD2 4.23Å; M14-F76 HydrophobicContact CG-CE1 3.97Å; M14-F76 HydrophobicContact CG-CE2 3.93Å; M14-F76 HydrophobicContact CG-CG 4.38Å; M14-F76 HydrophobicContact CG-CZ 3.8Å; M14-F76 HydrophobicContact SD-CE1 3.83Å; M14-F76 HydrophobicContact SD-CE2 4.29Å; M14-F76 HydrophobicContact SD-CZ 3.62Å; R42-F76 WeakPolarHBondContact O-CB 3.39Å; R42-F76 PolarHBondContact O-N 2.85Å; H43-F76 CarbonylContact C-O 3.58Å; H43-F76 VanDerWaalsContact CA-O 3.23Å; H43-F76 WeakPolarHBondContact CA-O 3.32Å; H43-F76 HydrophobicContact CB-CB 4.28Å; H43-F76 AromaticContact CD2-CD1 3.8Å; I44-F76 PolarHBondContact N-O 3.35Å; F76-T78 WeakPolarHBondContact CE1-OG1 3.23Å; F76-D108 WeakPolarHBondContact CA-OD2 3.39Å; F76-D108 HydrophobicContact CD1-CB 3.88Å; F76-D108 HydrophobicContact CD2-CB 3.77Å; F76-D108 HydrophobicContact CE1-CB 3.93Å; F76-D108 HydrophobicContact CE2-CB 3.83Å; F76-D108 HydrophobicContact CG-CB 3.8Å; F76-D108 HydrophobicContact CZ-CB 3.91Å; F76-L109 HydrophobicContact CE1-CB 3.59Å; F76-L109 HydrophobicContact CE1-CD2 4.09Å; F76-L109 HydrophobicContact CZ-CB 3.77Å; F76-L109 HydrophobicContact CZ-CD2 4.33Å
77V98.9Very high98.5Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-114.1122.7177.9-1730000110.6L60 L75 L102 L104 L107 D108 L109L60-V77 HydrophobicContact CD1-CG2 4.46Å; L75-V77 HydrophobicContact CD2-CG2 3.59Å; L75-V77 HydrophobicContact CG-CG2 3.78Å; V77-L102 HydrophobicContact CG1-CD1 4.24Å; V77-L104 HydrophobicContact CB-CD1 4.05Å; V77-L104 HydrophobicContact CG1-CD1 3.89Å; V77-L104 HydrophobicContact CG2-CD1 3.97Å; V77-L107 HydrophobicContact CB-CD2 4.42Å; V77-L107 HydrophobicContact CG1-CD2 3.99Å; V77-D108 PolarHBondContact N-OD2 3.27Å; V77-D108 PolarHBondContact O-N 3.11Å; V77-L109 PolarHBondContact O-N 2.97Å
78T99Very high98.6Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-104.8134.8174.7-56.20000109.8I44 C46 F76 L109 L111I44-T78 PolarHBondContact O-N 2.84Å; C46-T78 WeakPolarHBondContact CA-O 3.17Å; C46-T78 VanDerWaalsContact CB-O 3.26Å; C46-T78 WeakPolarHBondContact CB-O 3.43Å; C46-T78 PolarHBondContact N-O 2.81Å; F76-T78 WeakPolarHBondContact CE1-OG1 3.23Å; T78-L109 WeakPolarHBondContact CA-O 3.29Å; T78-L109 HydrophobicContact CG2-CB 4.16Å; T78-L109 HydrophobicContact CG2-CD2 3.86Å; T78-L109 HydrophobicContact CG2-CG 4Å; T78-L111 HydrophobicContact CG2-CD1 3.91Å; T78-L111 HydrophobicContact CG2-CG 4.07Å
79S98.9Very high98.7Very high0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-134.3177.9162.4-170.10000111.2E53 T98 L109 Y110 L111E53-S79 WeakPolarHBondContact OE1-CB 3.48Å; E53-S79 PolarHBondContact OE1-OG 3.09Å; S79-T98 WeakPolarHBondContact OG-CG2 3.37Å; S79-L109 PolarHBondContact N-O 2.85Å; S79-L109 VanDerWaalsContact N-O 3.1Å; S79-Y110 VanDerWaalsContact C-CD2 3.5Å; S79-Y110 WeakPolarHBondContact O-CA 3.39Å; S79-Y110 WeakPolarHBondContact O-CD2 3.33Å; S79-L111 PolarHBondContact O-N 3.33Å
80K98.9Very high98.8Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-139.4132.5-169.3-42.4-174.9-176.673.80112.2D45 C46 A47 Y50 L111 H113D45-K80 IonicContact OD1-NZ 2.76Å; D45-K80 PolarHBondContact OD1-NZ 3.24Å; D45-K80 WeakPolarHBondContact OD2-CE 3.39Å; D45-K80 IonicContact OD2-NZ 3.17Å; D45-K80 PolarHBondContact OD2-NZ 2.86Å; C46-K80 PolarHBondContact O-NZ 2.62Å; A47-K80 HydrophobicContact CB-CB 3.88Å; A47-K80 HydrophobicContact CB-CD 4.04Å; A47-K80 HydrophobicContact CB-CG 3.89Å; Y50-K80 PolarHBondContact OH-NZ 3.12Å; K80-L111 CarbonylContact C-O 3.54Å; K80-L111 WeakPolarHBondContact CA-O 3.35Å; K80-L111 HydrophobicContact CB-CB 4.41Å; K80-L111 HydrophobicContact CD-CD1 4.4Å; K80-L111 HydrophobicContact CG-CB 4.12Å; K80-L111 HydrophobicContact CG-CD1 4.35Å; K80-H113 HydrophobicContact CB-CB 4.01Å
81L98.9Very high98.8Very high1 Ų131.3 Ų31.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-70.8122.6170.5-177.671.2000109.8K85 V91 A94 Y110 L111 H113 T143 L147L81-K85 HydrophobicContact CD1-CB 3.67Å; L81-K85 HydrophobicContact CG-CB 4.4Å; L81-V91 HydrophobicContact CD2-CG2 3.94Å; L81-A94 HydrophobicContact CD1-CB 3.6Å; L81-Y110 WeakPolarHBondContact CA-OH 3.36Å; L81-Y110 HydrophobicContact CB-CE1 3.86Å; L81-Y110 HydrophobicContact CD1-CE1 4.36Å; L81-L111 PolarHBondContact N-O 3.46Å; L81-H113 WeakPolarHBondContact O-CB 3.44Å; L81-H113 PolarHBondContact O-N 2.62Å; L81-T143 HydrophobicContact CD2-CG2 3.56Å; L81-L147 HydrophobicContact CD2-CD2 4.25Å
82W98.9Very high98.8Very high22 Ų2231.5 Ų31.58%0.08315%0.15CC..  trans-81.7157.6-179.8-174.9-116.7000113.2I49 T84 K85 H86 H113 W114 F118 P124 F125I49-W82 HydrophobicContact CB-CB 4.49Å; I49-W82 HydrophobicContact CB-CD2 3.67Å; I49-W82 HydrophobicContact CB-CE3 3.57Å; I49-W82 HydrophobicContact CB-CG 4.07Å; I49-W82 HydrophobicContact CB-CZ3 4.08Å; I49-W82 HydrophobicContact CD1-CD2 3.8Å; I49-W82 HydrophobicContact CD1-CE3 4.39Å; I49-W82 HydrophobicContact CD1-CG 4.13Å; I49-W82 HydrophobicContact CD1-CH2 4.46Å; I49-W82 HydrophobicContact CD1-CZ2 3.9Å; I49-W82 HydrophobicContact CG1-CD2 3.58Å; I49-W82 HydrophobicContact CG1-CE3 3.66Å; I49-W82 HydrophobicContact CG1-CG 4.26Å; I49-W82 HydrophobicContact CG1-CH2 3.86Å; I49-W82 HydrophobicContact CG1-CZ2 3.8Å; I49-W82 HydrophobicContact CG1-CZ3 3.79Å; I49-W82 HydrophobicContact CG2-CD2 4.25Å; I49-W82 HydrophobicContact CG2-CE3 3.61Å; I49-W82 HydrophobicContact CG2-CZ3 3.86Å; W82-T84 PolarHBondContact O-N 3.38Å; W82-T84 VanDerWaalsContact O-N 3.11Å; W82-K85 PolarHBondContact O-N 2.94Å; W82-H86 PolarHBondContact O-CD2 2.75Å; W82-H113 HydrophobicContact CE3-CB 4.27Å; W82-H113 AromaticContact CE3-ND1 3.77Å; W82-W114 AromaticContact CZ3-CD1 3.89Å; W82-W114 AromaticContact CZ3-NE1 3.96Å; W82-F118 HydrophobicContact CZ2-CD2 4.4Å; W82-F118 AromaticContact CZ2-CE2 3.95Å; W82-F118 HydrophobicContact CZ2-CE2 3.95Å; W82-P124 PolarHBondContact NE1-O 2.67Å; W82-F125 AromaticContact CH2-CE1 3.95Å; W82-F125 HydrophobicContact CH2-CE1 3.95Å; W82-F125 HydrophobicContact CH2-CZ 4.26Å; W82-F125 HydrophobicContact CZ2-CD1 4.12Å; W82-F125 AromaticContact CZ2-CE1 3.43Å; W82-F125 HydrophobicContact CZ2-CE1 3.43Å; W82-F125 VanDerWaalsContact CZ2-CE1 3.43Å; W82-F125 AromaticContact CZ2-CZ 3.8Å; W82-F125 HydrophobicContact CZ2-CZ 3.8Å
83N98.9Very high98.8Very high0 Ų033.7 Ų33.70%017%0.168CC..G310 helixtrans-55.6-31.8-171.3-61.420.4000114.4K85 Y116 A117 F118N83-K85 PolarHBondContact O-N 3.46Å; N83-Y116 WeakPolarHBondContact ND2-CE2 3.47Å; N83-A117 WeakPolarHBondContact O-CA 3.31Å; N83-F118 HydrophobicContact CB-CB 4Å; N83-F118 HydrophobicContact CB-CD1 3.98Å; N83-F118 HydrophobicContact CB-CD2 3.62Å; N83-F118 HydrophobicContact CB-CE1 4.35Å; N83-F118 HydrophobicContact CB-CE2 4.05Å; N83-F118 HydrophobicContact CB-CG 3.58Å; N83-F118 HydrophobicContact CB-CZ 4.4Å; N83-F118 WeakPolarHBondContact ND2-CZ 3.41Å; N83-F118 PolarHBondContact O-N 3.35Å
84T98.8Very high98.9Very high6 Ų627.4 Ų27.44%0.03714%0.141CC..G310 helixtrans-79-0.9-179.6590000114W82 F118 E119 N123 P126W82-T84 PolarHBondContact O-N 3.38Å; W82-T84 VanDerWaalsContact O-N 3.11Å; T84-F118 HydrophobicContact CG2-CB 3.62Å; T84-F118 HydrophobicContact CG2-CD2 4.29Å; T84-F118 HydrophobicContact CG2-CG 4.49Å; T84-E119 WeakPolarHBondContact CG2-O 3.48Å; T84-N123 WeakPolarHBondContact CG2-O 3.11Å; T84-P126 HydrophobicContact CG2-CG 4.23Å
85K98.9Very high98.9Very high43 Ų4322.9 Ų22.919%0.18712%0.12CC..G310 helixtrans-121.724.2-175.4-53.6-61.2-176.3-169.90112.1L81 W82 N83 D90 A94 G121 D122L81-K85 HydrophobicContact CD1-CB 3.67Å; L81-K85 HydrophobicContact CG-CB 4.4Å; W82-K85 PolarHBondContact O-N 2.94Å; N83-K85 PolarHBondContact O-N 3.46Å; K85-D90 HydrophobicContact CB-CB 4.15Å; K85-D90 HydrophobicContact CD-CB 4.11Å; K85-A94 HydrophobicContact CB-CB 3.82Å; K85-A94 HydrophobicContact CG-CB 3.9Å; K85-G121 WeakPolarHBondContact CE-O 3.49Å; K85-G121 PolarHBondContact NZ-O 2.98Å; K85-D122 IonicContact NZ-OD1 3.04Å; K85-D122 PolarHBondContact NZ-OD1 2.89Å
86H98.9Very high98.9Very high1 Ų128.7 Ų28.71%0.00514%0.142CC..  trans-75.3-24.8179.9-81.5-151.3000113.8W82 W114 Y116 A117 T138 T143W82-H86 PolarHBondContact O-CD2 2.75Å; H86-W114 PolarHBondContact CE1-O 3.34Å; H86-Y116 PolarHBondContact CE1-O 3.48Å; H86-A117 HydrophobicContact CB-CB 3.61Å; H86-T138 HydrophobicContact CB-CG2 4.44Å; H86-T143 HydrophobicContact CB-CG2 4.25Å; H86-T143 WeakPolarHBondContact O-CB 3.46Å; H86-T143 WeakPolarHBondContact O-CG2 3.24Å; H86-T143 PolarHBondContact O-OG1 3.46Å
87H98.9Very high98.9Very high63 Ų6333.9 Ų33.929%0.29216%0.164SC..SBendtrans-58.8133.9176.8-171.2-95.1000110E89 D90H87-E89 IonicContact CE1-OE2 2.69Å; H87-E89 PolarHBondContact ND1-N 2.93Å; H87-E89 IonicContact ND1-OE2 3.78Å; H87-E89 PolarHBondContact O-N 2.54Å; H87-D90 PolarHBondContact O-N 3.37Å
88P98.9Very high98.9Very high55 Ų5533.9 Ų33.936%0.35717%0.165SC..Hα-helixtrans-50.5-36.2-173.1-33.137.7000115.3D90 E142 A146P88-D90 VanDerWaalsContact C-N 3.31Å; P88-D90 PolarHBondContact O-N 2.92Å; P88-E142 HydrophobicContact CG-CB 4.32Å; P88-A146 HydrophobicContact CB-CB 3.98Å
89E98.8Very high98.9Very high124 Ų12434.5 Ų34.558%0.57917%0.168SC*.Hα-helixtrans-69.4-22.9179.2-64178.8166.300114.4H87 P93 R120H87-E89 IonicContact CE1-OE2 2.69Å; H87-E89 PolarHBondContact ND1-N 2.93Å; H87-E89 IonicContact ND1-OE2 3.78Å; H87-E89 PolarHBondContact O-N 2.54Å; E89-P93 WeakPolarHBondContact O-CD 3.48Å; E89-P93 WeakPolarHBondContact O-CG 3.43Å; E89-R120 IonicContact OE2-CZ 3.21Å; E89-R120 IonicContact OE2-NH1 3.49Å; E89-R120 PolarHBondContact OE2-NH1 2.89Å; E89-R120 IonicContact OE2-NH2 2.92Å; E89-R120 PolarHBondContact OE2-NH2 3.28Å
90D98.9Very high98.9Very high17 Ų1737.6 Ų37.69%0.09119%0.194CC..Hα-helixtrans-94.3-15.1-176.9-62.4-39000113.5K85 H87 P88 E92 P93 A94 R120K85-D90 HydrophobicContact CB-CB 4.15Å; K85-D90 HydrophobicContact CD-CB 4.11Å; H87-D90 PolarHBondContact O-N 3.37Å; P88-D90 VanDerWaalsContact C-N 3.31Å; P88-D90 PolarHBondContact O-N 2.92Å; D90-E92 PolarHBondContact O-N 2.89Å; D90-P93 WeakPolarHBondContact O-CD 3.41Å; D90-A94 WeakPolarHBondContact O-CB 3.42Å; D90-A94 PolarHBondContact O-N 3.31Å; D90-R120 IonicContact OD1-CZ 2.9Å; D90-R120 IonicContact OD1-NE 3.52Å; D90-R120 PolarHBondContact OD1-NE 2.82Å; D90-R120 IonicContact OD1-NH2 2.65Å; D90-R120 PolarHBondContact OD1-NH2 2.91Å; D90-R120 WeakPolarHBondContact OD2-CD 3.23Å; D90-R120 WeakPolarHBondContact OD2-CG 3.45Å; D90-R120 IonicContact OD2-CZ 3.76Å; D90-R120 IonicContact OD2-NE 3.52Å; D90-R120 PolarHBondContact OD2-NE 2.69Å; D90-R120 IonicContact OD2-NH2 3.67Å
91V98.9Very high98.9Very high1 Ų139.2 Ų39.21%0.00620%0.202CC..Hα-helixtrans-59.9-48.7-174.9169.70000111.5L81 L95 T143 A146 L147 L150L81-V91 HydrophobicContact CD2-CG2 3.94Å; V91-L95 PolarHBondContact O-N 3.42Å; V91-L95 VanDerWaalsContact O-N 3.09Å; V91-T143 HydrophobicContact CG2-CG2 3.99Å; V91-A146 HydrophobicContact CB-CB 3.98Å; V91-A146 HydrophobicContact CG1-CB 4.15Å; V91-A146 HydrophobicContact CG2-CB 3.84Å; V91-L147 HydrophobicContact CG1-CD2 3.7Å; V91-L147 HydrophobicContact CG1-CG 4.02Å; V91-L150 HydrophobicContact CG1-CD1 3.76Å; V91-L150 HydrophobicContact CG1-CG 4.39Å
92E98.9Very high98.9Very high46 Ų4639.1 Ų39.122%0.21520%0.202CC..Hα-helixtrans-71.1-47.1178.7179.3173.7174.400113.1D90 A94 L95 R96 L150 K153D90-E92 PolarHBondContact O-N 2.89Å; E92-A94 PolarHBondContact O-N 3.21Å; E92-L95 PolarHBondContact O-N 3.17Å; E92-R96 HydrophobicContact CG-CG 4.2Å; E92-R96 WeakPolarHBondContact O-CB 3.15Å; E92-R96 WeakPolarHBondContact O-CG 3.4Å; E92-R96 PolarHBondContact O-N 3.28Å; E92-R96 IonicContact OE1-CZ 3.2Å; E92-R96 VanDerWaalsContact OE1-CZ 3.27Å; E92-R96 IonicContact OE1-NE 2.71Å; E92-R96 PolarHBondContact OE1-NE 3.41Å; E92-R96 IonicContact OE1-NH2 3.09Å; E92-R96 PolarHBondContact OE1-NH2 3.05Å; E92-L150 HydrophobicContact CB-CD2 3.71Å; E92-L150 HydrophobicContact CG-CD2 4.01Å; E92-K153 IonicContact OE1-NZ 3.86Å; E92-K153 PolarHBondContact OE1-NZ 3.39Å; E92-K153 IonicContact OE2-NZ 3.87Å; E92-K153 PolarHBondContact OE2-NZ 3.48Å
93P98.9Very high98.9Very high75 Ų7541.8 Ų41.849%0.48722%0.215SC..Hα-helixtrans-52.3-41.8171.9-29.235.2000113.3E89 D90 R96 K97E89-P93 WeakPolarHBondContact O-CD 3.48Å; E89-P93 WeakPolarHBondContact O-CG 3.43Å; D90-P93 WeakPolarHBondContact O-CD 3.41Å; P93-R96 PolarHBondContact O-N 2.94Å; P93-K97 PolarHBondContact O-N 3.21Å
94A98.9Very high98.9Very high16 Ų1642.7 Ų42.713%0.13222%0.22CC..Hα-helixtrans-64-47.2177.600000112.2L81 K85 D90 E92 R96 K97 T98L81-A94 HydrophobicContact CD1-CB 3.6Å; K85-A94 HydrophobicContact CB-CB 3.82Å; K85-A94 HydrophobicContact CG-CB 3.9Å; D90-A94 WeakPolarHBondContact O-CB 3.42Å; D90-A94 PolarHBondContact O-N 3.31Å; E92-A94 PolarHBondContact O-N 3.21Å; A94-R96 PolarHBondContact O-N 2.8Å; A94-K97 PolarHBondContact O-N 2.73Å; A94-T98 PolarHBondContact O-N 3.5Å; A94-T98 VanDerWaalsContact O-N 3.13Å
95L98.9Very high98.9Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-61.5-44.4175.3174.663.8000111.6V91 E92 K97 T98 L99 L107 Y110 L150 L155 V156V91-L95 PolarHBondContact O-N 3.42Å; V91-L95 VanDerWaalsContact O-N 3.09Å; E92-L95 PolarHBondContact O-N 3.17Å; L95-K97 VanDerWaalsContact C-N 3.26Å; L95-K97 PolarHBondContact O-N 3.01Å; L95-T98 WeakPolarHBondContact O-CB 3.44Å; L95-T98 PolarHBondContact O-N 3.21Å; L95-T98 VanDerWaalsContact O-N 3.14Å; L95-L99 HydrophobicContact CD1-CD1 4.35Å; L95-L99 HydrophobicContact CD1-CG 4.11Å; L95-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.24Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.46Å; L95-L107 HydrophobicContact CD1-CD1 3.54Å; L95-L107 HydrophobicContact CD1-CG 4.16Å; L95-Y110 HydrophobicContact CB-CE1 3.96Å; L95-Y110 HydrophobicContact CD1-CD1 4.11Å; L95-Y110 HydrophobicContact CD1-CD2 3.98Å; L95-Y110 HydrophobicContact CD1-CE1 4.06Å; L95-Y110 HydrophobicContact CD1-CE2 3.94Å; L95-Y110 HydrophobicContact CD1-CG 4.08Å; L95-Y110 HydrophobicContact CG-CE1 4.48Å; L95-L150 HydrophobicContact CB-CD1 4.11Å; L95-L150 HydrophobicContact CD2-CB 3.97Å; L95-L150 HydrophobicContact CD2-CD1 3.49Å; L95-L150 VanDerWaalsContact CD2-CD1 3.49Å; L95-L150 HydrophobicContact CD2-CD2 4.24Å; L95-L150 HydrophobicContact CD2-CG 4.1Å; L95-L150 HydrophobicContact CG-CD1 4.4Å; L95-L155 HydrophobicContact CD2-CB 3.67Å; L95-L155 HydrophobicContact CD2-CD1 4.25Å; L95-V156 HydrophobicContact CD1-CG2 4.08Å; L95-V156 HydrophobicContact CD2-CG2 3.35Å; L95-V156 HydrophobicContact CG-CG2 4.39Å
96R98.9Very high98.9Very high124 Ų12450.1 Ų50.147%0.46825%0.253SS..Hα-helixtrans-61.5-36.4-179.8-74.2-176.9178.3-74-1.9112E92 P93 A94 L99 A100E92-R96 HydrophobicContact CG-CG 4.2Å; E92-R96 WeakPolarHBondContact O-CB 3.15Å; E92-R96 WeakPolarHBondContact O-CG 3.4Å; E92-R96 PolarHBondContact O-N 3.28Å; E92-R96 IonicContact OE1-CZ 3.2Å; E92-R96 VanDerWaalsContact OE1-CZ 3.27Å; E92-R96 IonicContact OE1-NE 2.71Å; E92-R96 PolarHBondContact OE1-NE 3.41Å; E92-R96 IonicContact OE1-NH2 3.09Å; E92-R96 PolarHBondContact OE1-NH2 3.05Å; P93-R96 PolarHBondContact O-N 2.94Å; A94-R96 PolarHBondContact O-N 2.8Å; R96-L99 PolarHBondContact O-N 3.13Å; R96-A100 WeakPolarHBondContact O-CB 3.45Å; R96-A100 PolarHBondContact O-N 2.99Å
97K98.9Very high98.9Very high117 Ų11750 Ų5051%0.50925%0.253SS..Hα-helixtrans-62.5-48.7172.3-179.158.9165.778.10111.5P93 A94 L95 L99 A100 D101P93-K97 PolarHBondContact O-N 3.21Å; A94-K97 PolarHBondContact O-N 2.73Å; L95-K97 VanDerWaalsContact C-N 3.26Å; L95-K97 PolarHBondContact O-N 3.01Å; K97-L99 VanDerWaalsContact C-N 3.35Å; K97-L99 PolarHBondContact O-N 3.03Å; K97-A100 PolarHBondContact O-N 3.44Å; K97-D101 IonicContact NZ-OD1 3.65Å; K97-D101 PolarHBondContact NZ-OD1 3.03Å; K97-D101 IonicContact NZ-OD2 2.9Å; K97-D101 PolarHBondContact NZ-OD2 3.47Å; K97-D101 WeakPolarHBondContact O-CB 3.5Å; K97-D101 VanDerWaalsContact O-CG 3.28Å; K97-D101 PolarHBondContact O-N 3.02Å
98T98.9Very high98.9Very high1 Ų147.7 Ų47.71%0.00624%0.243CC..Hα-helixtrans-57.7-44.6175-79.50000112.2E53 S79 A94 L95 D101 L102 L107E53-T98 WeakPolarHBondContact OE2-CA 2.98Å; E53-T98 VanDerWaalsContact OE2-CB 3.32Å; E53-T98 WeakPolarHBondContact OE2-CB 3.37Å; E53-T98 WeakPolarHBondContact OE2-CG2 3.38Å; E53-T98 PolarHBondContact OE2-OG1 2.86Å; S79-T98 WeakPolarHBondContact OG-CG2 3.37Å; A94-T98 PolarHBondContact O-N 3.5Å; A94-T98 VanDerWaalsContact O-N 3.13Å; L95-T98 WeakPolarHBondContact O-CB 3.44Å; L95-T98 PolarHBondContact O-N 3.21Å; L95-T98 VanDerWaalsContact O-N 3.14Å; T98-D101 PolarHBondContact O-N 3.28Å; T98-L102 HydrophobicContact CG2-CD1 3.67Å; T98-L102 HydrophobicContact CG2-CG 4.44Å; T98-L102 VanDerWaalsContact O-CB 3.31Å; T98-L102 WeakPolarHBondContact O-CB 3.44Å; T98-L102 VanDerWaalsContact O-CG 3.3Å; T98-L102 WeakPolarHBondContact O-CG 3.5Å; T98-L102 PolarHBondContact O-N 3.22Å; T98-L107 HydrophobicContact CG2-CD1 4.04Å
99L98.9Very high98.9Very high13 Ų1345.1 Ų45.17%0.06823%0.226CC..Hα-helixtrans-62.7-42.3177-73.8176.3000112L95 R96 K97 Q103 L104 L107 L155L95-L99 HydrophobicContact CD1-CD1 4.35Å; L95-L99 HydrophobicContact CD1-CG 4.11Å; L95-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.24Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.46Å; R96-L99 PolarHBondContact O-N 3.13Å; K97-L99 VanDerWaalsContact C-N 3.35Å; K97-L99 PolarHBondContact O-N 3.03Å; L99-Q103 WeakPolarHBondContact O-CA 3.35Å; L99-Q103 PolarHBondContact O-N 2.9Å; L99-L104 WeakPolarHBondContact CB-O 3.48Å; L99-L104 HydrophobicContact CD2-CB 4.18Å; L99-L104 PolarHBondContact O-N 3.08Å; L99-L107 HydrophobicContact CD2-CD2 4.1Å; L99-L107 HydrophobicContact CD2-CG 3.81Å; L99-L155 HydrophobicContact CD1-CB 4.21Å; L99-L155 HydrophobicContact CD1-CD2 4.12Å
100A98.9Very high98.9Very high65 Ų6539.2 Ų39.254%0.53720%0.198SC..Hα-helixtrans-63.5-45.5176.300000111.8R96 K97 Q103R96-A100 WeakPolarHBondContact O-CB 3.45Å; R96-A100 PolarHBondContact O-N 2.99Å; K97-A100 PolarHBondContact O-N 3.44Å; A100-Q103 WeakPolarHBondContact O-CG 3.25Å; A100-Q103 PolarHBondContact O-N 3.24Å; A100-Q103 VanDerWaalsContact O-N 3.17Å
101D98.9Very high98.9Very high33 Ų3338.4 Ų38.418%0.17619%0.194CC..Hα-helixtrans-63.7-46.4178.5-72-13.5000111.7E53 P54 G57 K97 T98 Q103E53-D101 HydrophobicContact CB-CB 3.88Å; P54-D101 WeakPolarHBondContact CA-O 3.49Å; P54-D101 HydrophobicContact CG-CB 4Å; G57-D101 WeakPolarHBondContact CA-O 3.49Å; K97-D101 IonicContact NZ-OD1 3.65Å; K97-D101 PolarHBondContact NZ-OD1 3.03Å; K97-D101 IonicContact NZ-OD2 2.9Å; K97-D101 PolarHBondContact NZ-OD2 3.47Å; K97-D101 WeakPolarHBondContact O-CB 3.5Å; K97-D101 VanDerWaalsContact O-CG 3.28Å; K97-D101 PolarHBondContact O-N 3.02Å; T98-D101 PolarHBondContact O-N 3.28Å; D101-Q103 PolarHBondContact O-N 3.22Å
102L98.9Very high98.9Very high0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-73.6-9.6176.8-66.6172.6000113E53 I56 G57 V77 T98 L104 L107E53-L102 HydrophobicContact CB-CD2 3.92Å; E53-L102 HydrophobicContact CB-CG 4.13Å; E53-L102 HydrophobicContact CG-CD2 4.18Å; E53-L102 HydrophobicContact CG-CG 4.42Å; I56-L102 HydrophobicContact CB-CD2 3.95Å; I56-L102 HydrophobicContact CG2-CD2 3.69Å; G57-L102 VanDerWaalsContact CA-C 3.46Å; G57-L102 WeakPolarHBondContact CA-O 3.27Å; V77-L102 HydrophobicContact CG1-CD1 4.24Å; T98-L102 HydrophobicContact CG2-CD1 3.67Å; T98-L102 HydrophobicContact CG2-CG 4.44Å; T98-L102 VanDerWaalsContact O-CB 3.31Å; T98-L102 WeakPolarHBondContact O-CB 3.44Å; T98-L102 VanDerWaalsContact O-CG 3.3Å; T98-L102 WeakPolarHBondContact O-CG 3.5Å; T98-L102 PolarHBondContact O-N 3.22Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 HydrophobicContact CB-CB 4.49Å; L102-L104 HydrophobicContact CB-CD1 3.94Å; L102-L104 HydrophobicContact CB-CG 3.95Å; L102-L104 HydrophobicContact CD1-CD1 4.37Å; L102-L104 PolarHBondContact O-N 3.45Å; L102-L107 HydrophobicContact CD1-CD2 3.87Å
103Q98.8Very high98.9Very high77 Ų7736.9 Ų36.936%0.3619%0.187SC..THydrogen-bonded Turntrans53.846.8-175.1-59.4177.974.800112.3G57 K61 L99 A100 D101G57-Q103 PolarHBondContact O-NE2 3.39Å; K61-Q103 VanDerWaalsContact CE-OE1 3.29Å; L99-Q103 WeakPolarHBondContact O-CA 3.35Å; L99-Q103 PolarHBondContact O-N 2.9Å; A100-Q103 WeakPolarHBondContact O-CG 3.25Å; A100-Q103 PolarHBondContact O-N 3.24Å; A100-Q103 VanDerWaalsContact O-N 3.17Å; D101-Q103 PolarHBondContact O-N 3.22Å
104L98.9Very high98.9Very high19 Ų1934 Ų3410%0.09917%0.166CC..  trans-121.9148.5-178.9-62.6178.6000111.3L60 V77 L99 L102 L107L60-L104 HydrophobicContact CD1-CD1 4.12Å; L60-L104 HydrophobicContact CD1-CD2 4.33Å; L60-L104 HydrophobicContact CD1-CG 4.42Å; V77-L104 HydrophobicContact CB-CD1 4.05Å; V77-L104 HydrophobicContact CG1-CD1 3.89Å; V77-L104 HydrophobicContact CG2-CD1 3.97Å; L99-L104 WeakPolarHBondContact CB-O 3.48Å; L99-L104 HydrophobicContact CD2-CB 4.18Å; L99-L104 PolarHBondContact O-N 3.08Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 HydrophobicContact CB-CB 4.49Å; L102-L104 HydrophobicContact CB-CD1 3.94Å; L102-L104 HydrophobicContact CB-CG 3.95Å; L102-L104 HydrophobicContact CD1-CD1 4.37Å; L102-L104 PolarHBondContact O-N 3.45Å; L104-L107 HydrophobicContact CD1-CD2 4.16Å
105E98.8Very high98.9Very high166 Ų16633.2 Ų33.278%0.77616%0.16SC*.SBendtrans-81-27.1173.7-58.8-58.3140.900112.7
106Y98.9Very high98.9Very high39 Ų3933.2 Ų33.215%0.15316%0.16CC..  trans-151.8157.6179.370.2-88.5000111.8R72 L155 R157R72-Y106 HydrophobicContact CG-CE1 4.2Å; R72-Y106 PolarHBondContact NH1-OH 3.17Å; R72-Y106 VanDerWaalsContact NH2-CE2 3.29Å; R72-Y106 PolarHBondContact NH2-O 2.82Å; Y106-L155 VanDerWaalsContact CA-O 3.25Å; Y106-L155 WeakPolarHBondContact CA-O 3.25Å; Y106-R157 HydrophobicContact CD2-CG 3.71Å; Y106-R157 HydrophobicContact CE2-CG 3.93Å
107L98.9Very high98.9Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-99.9146.3165.8-64-178.2000111.5V77 L95 T98 L99 L102 L104 Y110 L155 V156 R157V77-L107 HydrophobicContact CB-CD2 4.42Å; V77-L107 HydrophobicContact CG1-CD2 3.99Å; L95-L107 HydrophobicContact CD1-CD1 3.54Å; L95-L107 HydrophobicContact CD1-CG 4.16Å; T98-L107 HydrophobicContact CG2-CD1 4.04Å; L99-L107 HydrophobicContact CD2-CD2 4.1Å; L99-L107 HydrophobicContact CD2-CG 3.81Å; L102-L107 HydrophobicContact CD1-CD2 3.87Å; L104-L107 HydrophobicContact CD1-CD2 4.16Å; L107-Y110 HydrophobicContact CD1-CD2 3.47Å; L107-Y110 VanDerWaalsContact CD1-CD2 3.47Å; L107-Y110 HydrophobicContact CD1-CE2 4.1Å; L107-Y110 HydrophobicContact CD1-CG 4.14Å; L107-L155 PolarHBondContact N-O 3.31Å; L107-V156 HydrophobicContact CB-CG1 4.47Å; L107-V156 CarbonylContact O-C 3.47Å; L107-V156 WeakPolarHBondContact O-CA 3.41Å; L107-R157 PolarHBondContact O-N 3.34Å
108D98.9Very high98.9Very high14 Ų1421.9 Ų21.98%0.07511%0.114CC..EExtended strand (participates in β ladder)trans-74.6-34.4173-62.9-84.4000111Q12 R72 L75 F76 V77 A158Q12-D108 PolarHBondContact NE2-O 2.64Å; R72-D108 IonicContact CZ-OD2 3.93Å; R72-D108 VanDerWaalsContact CZ-OD2 3.32Å; R72-D108 IonicContact NH1-OD1 3.82Å; R72-D108 IonicContact NH1-OD2 2.55Å; R72-D108 PolarHBondContact NH1-OD2 3.46Å; R72-D108 IonicContact NH2-OD2 3.12Å; R72-D108 PolarHBondContact NH2-OD2 3.16Å; L75-D108 VanDerWaalsContact O-OD2 3.12Å; F76-D108 WeakPolarHBondContact CA-OD2 3.39Å; F76-D108 HydrophobicContact CD1-CB 3.88Å; F76-D108 HydrophobicContact CD2-CB 3.77Å; F76-D108 HydrophobicContact CE1-CB 3.93Å; F76-D108 HydrophobicContact CE2-CB 3.83Å; F76-D108 HydrophobicContact CG-CB 3.8Å; F76-D108 HydrophobicContact CZ-CB 3.91Å; V77-D108 PolarHBondContact N-OD2 3.27Å; V77-D108 PolarHBondContact O-N 3.11Å; D108-A158 PolarHBondContact O-N 2.88Å; D108-A158 VanDerWaalsContact O-N 3.08Å
109L99Very high98.9Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-144.2133.6178-178.661.5000111.1M14 F76 V77 T78 S79 L111 A158 V182M14-L109 HydrophobicContact CE-CD2 3.78Å; M14-L109 HydrophobicContact SD-CD2 4.3Å; F76-L109 HydrophobicContact CE1-CB 3.59Å; F76-L109 HydrophobicContact CE1-CD2 4.09Å; F76-L109 HydrophobicContact CZ-CB 3.77Å; F76-L109 HydrophobicContact CZ-CD2 4.33Å; V77-L109 PolarHBondContact O-N 2.97Å; T78-L109 WeakPolarHBondContact CA-O 3.29Å; T78-L109 HydrophobicContact CG2-CB 4.16Å; T78-L109 HydrophobicContact CG2-CD2 3.86Å; T78-L109 HydrophobicContact CG2-CG 4Å; S79-L109 PolarHBondContact N-O 2.85Å; S79-L109 VanDerWaalsContact N-O 3.1Å; L109-L111 HydrophobicContact CD1-CD2 3.76Å; L109-L111 HydrophobicContact CD2-CD2 3.88Å; L109-L111 HydrophobicContact CD2-CG 4.38Å; L109-L111 HydrophobicContact CG-CD2 3.69Å; L109-L111 HydrophobicContact CG-CG 4.17Å; L109-A158 WeakPolarHBondContact CA-O 3.01Å; L109-A158 HydrophobicContact CD1-CB 4.07Å; L109-V182 HydrophobicContact CD1-CB 4.32Å; L109-V182 HydrophobicContact CD1-CG2 4.29Å; L109-V182 HydrophobicContact CD2-CB 3.92Å; L109-V182 HydrophobicContact CD2-CG1 4.16Å; L109-V182 HydrophobicContact CD2-CG2 3.82Å
110Y98.9Very high98.8Very high1 Ų131.5 Ų31.50%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-124.8125170.3-161.4-132000110.5S79 L81 L95 L107 L147 L150 V156 A158 L159 G160S79-Y110 VanDerWaalsContact C-CD2 3.5Å; S79-Y110 WeakPolarHBondContact O-CA 3.39Å; S79-Y110 WeakPolarHBondContact O-CD2 3.33Å; L81-Y110 WeakPolarHBondContact CA-OH 3.36Å; L81-Y110 HydrophobicContact CB-CE1 3.86Å; L81-Y110 HydrophobicContact CD1-CE1 4.36Å; L95-Y110 HydrophobicContact CB-CE1 3.96Å; L95-Y110 HydrophobicContact CD1-CD1 4.11Å; L95-Y110 HydrophobicContact CD1-CD2 3.98Å; L95-Y110 HydrophobicContact CD1-CE1 4.06Å; L95-Y110 HydrophobicContact CD1-CE2 3.94Å; L95-Y110 HydrophobicContact CD1-CG 4.08Å; L95-Y110 HydrophobicContact CG-CE1 4.48Å; L107-Y110 HydrophobicContact CD1-CD2 3.47Å; L107-Y110 VanDerWaalsContact CD1-CD2 3.47Å; L107-Y110 HydrophobicContact CD1-CE2 4.1Å; L107-Y110 HydrophobicContact CD1-CG 4.14Å; Y110-L147 HydrophobicContact CD1-CD2 3.61Å; Y110-L147 HydrophobicContact CE1-CD2 3.82Å; Y110-L150 HydrophobicContact CD1-CD1 4.2Å; Y110-L150 HydrophobicContact CE1-CD1 4.32Å; Y110-V156 HydrophobicContact CG-CG2 4.41Å; Y110-A158 PolarHBondContact N-O 3.26Å; Y110-L159 WeakPolarHBondContact O-CA 3.44Å; Y110-G160 PolarHBondContact O-N 2.98Å
111L99Very high98.8Very high0 Ų029.8 Ų29.80%014%0.142CC..EExtended strand (participates in β ladder)trans-108.3144.9-174.8-53.4179.1000111.5T78 S79 K80 L81 L109 H113 G160 Q184T78-L111 HydrophobicContact CG2-CD1 3.91Å; T78-L111 HydrophobicContact CG2-CG 4.07Å; S79-L111 PolarHBondContact O-N 3.33Å; K80-L111 CarbonylContact C-O 3.54Å; K80-L111 WeakPolarHBondContact CA-O 3.35Å; K80-L111 HydrophobicContact CB-CB 4.41Å; K80-L111 HydrophobicContact CD-CD1 4.4Å; K80-L111 HydrophobicContact CG-CB 4.12Å; K80-L111 HydrophobicContact CG-CD1 4.35Å; L81-L111 PolarHBondContact N-O 3.46Å; L109-L111 HydrophobicContact CD1-CD2 3.76Å; L109-L111 HydrophobicContact CD2-CD2 3.88Å; L109-L111 HydrophobicContact CD2-CG 4.38Å; L109-L111 HydrophobicContact CG-CD2 3.69Å; L109-L111 HydrophobicContact CG-CG 4.17Å; L111-H113 PolarHBondContact O-N 3.42Å; L111-G160 WeakPolarHBondContact CA-O 3.24Å; L111-Q184 HydrophobicContact CD1-CB 3.74Å; L111-Q184 HydrophobicContact CD1-CG 4.47Å
112M98.9Very high98.7Very high0 Ų035.2 Ų35.20%017%0.171CC..EExtended strand (participates in β ladder)trans-75.9118159-163.8-178.7-51.100108.6W114 Y140 T143 W144 L147 G160 S162 F164M112-W114 WeakPolarHBondContact CG-O 3.36Å; M112-W114 PolarHBondContact O-N 3.46Å; M112-Y140 WeakPolarHBondContact CE-O 3.11Å; M112-T143 HydrophobicContact CE-CG2 3.56Å; M112-T143 HydrophobicContact SD-CG2 4.1Å; M112-W144 HydrophobicContact CE-CE3 4.38Å; M112-L147 HydrophobicContact CB-CD1 4.3Å; M112-L147 HydrophobicContact CE-CD1 3.71Å; M112-G160 PolarHBondContact N-O 3.46Å; M112-G160 VanDerWaalsContact N-O 3.15Å; M112-S162 VanDerWaalsContact O-CB 3.28Å; M112-S162 WeakPolarHBondContact O-CB 3.48Å; M112-S162 PolarHBondContact O-N 2.91Å; M112-F164 HydrophobicContact CB-CE2 4.22Å; M112-F164 HydrophobicContact CB-CZ 4.45Å; M112-F164 HydrophobicContact CE-CZ 4.49Å; M112-F164 HydrophobicContact CG-CE2 4.38Å; M112-F164 HydrophobicContact CG-CZ 4.41Å; M112-F164 HydrophobicContact SD-CE2 4.19Å; M112-F164 HydrophobicContact SD-CZ 3.65Å
113H98.9Very high98.7Very high15 Ų1539.6 Ų39.67%0.06919%0.194CC..SBendtrans-67-36.2-167.5-154.8138.4000112.9I49 Y50 K80 L81 W82 L111 S162 N163I49-H113 WeakPolarHBondContact CG2-CE1 3.39Å; Y50-H113 AromaticContact CE1-CE1 3.82Å; K80-H113 HydrophobicContact CB-CB 4.01Å; L81-H113 WeakPolarHBondContact O-CB 3.44Å; L81-H113 PolarHBondContact O-N 2.62Å; W82-H113 HydrophobicContact CE3-CB 4.27Å; W82-H113 AromaticContact CE3-ND1 3.77Å; L111-H113 PolarHBondContact O-N 3.42Å; H113-S162 CarbonylContact C-O 3.56Å; H113-S162 CarbonylContact O-C 3.45Å; H113-S162 VanDerWaalsContact O-CB 3.29Å; H113-S162 WeakPolarHBondContact O-CB 3.34Å; H113-S162 PolarHBondContact O-OG 3.16Å; H113-N163 PolarHBondContact O-ND2 3.25Å
114W98.9Very high98.6Very high14 Ų1438.2 Ų38.25%0.05319%0.192CC..  trans-142.8160.5177.2-69.789.7000109.8W82 H86 M112 Y116 N163 P301 P320 F321W82-W114 AromaticContact CZ3-CD1 3.89Å; W82-W114 AromaticContact CZ3-NE1 3.96Å; H86-W114 PolarHBondContact CE1-O 3.34Å; M112-W114 WeakPolarHBondContact CG-O 3.36Å; M112-W114 PolarHBondContact O-N 3.46Å; W114-Y116 VanDerWaalsContact C-N 3.31Å; W114-Y116 HydrophobicContact CB-CD1 4.4Å; W114-Y116 HydrophobicContact CB-CE1 4.15Å; W114-Y116 HydrophobicContact CB-CE2 4.36Å; W114-Y116 HydrophobicContact CD2-CE1 4.15Å; W114-Y116 AromaticContact CD2-CZ 3.87Å; W114-Y116 AromaticContact CE3-CE1 3.52Å; W114-Y116 HydrophobicContact CE3-CE1 3.52Å; W114-Y116 AromaticContact CE3-CZ 3.59Å; W114-Y116 HydrophobicContact CG-CE1 4.44Å; W114-Y116 HydrophobicContact CZ3-CE1 4.28Å; W114-Y116 PolarHBondContact O-N 3.17Å; W114-N163 HydrophobicContact CD2-CB 3.95Å; W114-N163 HydrophobicContact CE3-CB 3.44Å; W114-N163 VanDerWaalsContact CE3-CB 3.44Å; W114-N163 HydrophobicContact CH2-CB 4.17Å; W114-N163 HydrophobicContact CZ3-CB 3.58Å; W114-P301 HydrophobicContact CH2-CG 3.61Å; W114-P301 HydrophobicContact CZ2-CG 3.75Å; W114-P301 HydrophobicContact CZ3-CG 4.3Å; W114-P320 HydrophobicContact CE3-CG 4.31Å; W114-P320 HydrophobicContact CZ3-CG 4.2Å; W114-F321 AromaticContact CH2-CE2 3.89Å; W114-F321 HydrophobicContact CH2-CE2 3.89Å; W114-F321 AromaticContact CH2-CZ 3.94Å; W114-F321 HydrophobicContact CH2-CZ 3.94Å; W114-F321 AromaticContact CZ3-CE2 3.69Å; W114-F321 HydrophobicContact CZ3-CE2 3.69Å; W114-F321 AromaticContact CZ3-CZ 3.62Å; W114-F321 HydrophobicContact CZ3-CZ 3.62Å
115P98.8Very high98.5Very high0 Ų041 Ų410%020%0.203CC..SBendtrans-82-2.917830.9-34.9000114.4Y140 N163 F164 L318 P320P115-Y140 HydrophobicContact CB-CD1 4.15Å; P115-Y140 WeakPolarHBondContact O-CD1 3.2Å; P115-N163 WeakPolarHBondContact CD-O 3.5Å; P115-F164 HydrophobicContact CB-CD1 4.17Å; P115-F164 HydrophobicContact CB-CD2 4.1Å; P115-F164 HydrophobicContact CB-CE1 3.81Å; P115-F164 HydrophobicContact CB-CE2 3.76Å; P115-F164 HydrophobicContact CB-CG 4.28Å; P115-F164 HydrophobicContact CB-CZ 3.59Å; P115-F164 HydrophobicContact CG-CE2 4.49Å; P115-L318 WeakPolarHBondContact CG-O 3.46Å; P115-P320 HydrophobicContact CG-CB 4.09Å; P115-P320 HydrophobicContact CG-CG 4.05Å
116Y98.8Very high98.4Very high0 Ų033.3 Ų33.30%017%0.168CC..SBendtrans-120146.6-178.149.4-95000111.8N83 H86 W114 F118 D313 H316 Y319N83-Y116 WeakPolarHBondContact ND2-CE2 3.47Å; H86-Y116 PolarHBondContact CE1-O 3.48Å; W114-Y116 VanDerWaalsContact C-N 3.31Å; W114-Y116 HydrophobicContact CB-CD1 4.4Å; W114-Y116 HydrophobicContact CB-CE1 4.15Å; W114-Y116 HydrophobicContact CB-CE2 4.36Å; W114-Y116 HydrophobicContact CD2-CE1 4.15Å; W114-Y116 AromaticContact CD2-CZ 3.87Å; W114-Y116 AromaticContact CE3-CE1 3.52Å; W114-Y116 HydrophobicContact CE3-CE1 3.52Å; W114-Y116 AromaticContact CE3-CZ 3.59Å; W114-Y116 HydrophobicContact CG-CE1 4.44Å; W114-Y116 HydrophobicContact CZ3-CE1 4.28Å; W114-Y116 PolarHBondContact O-N 3.17Å; Y116-F118 HydrophobicContact CD2-CD1 4.36Å; Y116-F118 AromaticContact CD2-CE1 3.74Å; Y116-F118 HydrophobicContact CD2-CE1 3.74Å; Y116-F118 AromaticContact CE2-CE1 3.66Å; Y116-F118 HydrophobicContact CE2-CE1 3.66Å; Y116-F118 HydrophobicContact CE2-CZ 4.08Å; Y116-D313 HydrophobicContact CE1-CB 4.39Å; Y116-D313 HydrophobicContact CE2-CB 3.92Å; Y116-D313 WeakPolarHBondContact CE2-OD2 3.1Å; Y116-D313 WeakPolarHBondContact OH-CB 3.38Å; Y116-D313 VanDerWaalsContact OH-CG 3.31Å; Y116-D313 PolarHBondContact OH-OD2 3.3Å; Y116-H316 WeakPolarHBondContact CB-CE1 3.06Å; Y116-H316 WeakPolarHBondContact CB-ND1 3.34Å; Y116-Y319 HydrophobicContact CE1-CD2 4.04Å
117A98.8Very high98.2Very high1 Ų137.1 Ų37.11%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-97148.8-176.300000111.9N83 H86 D136N83-A117 WeakPolarHBondContact O-CA 3.31Å; H86-A117 HydrophobicContact CB-CB 3.61Å; A117-D136 HydrophobicContact CB-CB 3.88Å; A117-D136 PolarHBondContact O-N 3.07Å
118F98.7Very high97.9Very high2 Ų240.7 Ų40.71%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-105161.1168.1-69-7000109.5W82 N83 T84 Y116 R120 F125 P126 I133 C134 Y135 D136W82-F118 HydrophobicContact CZ2-CD2 4.4Å; W82-F118 AromaticContact CZ2-CE2 3.95Å; W82-F118 HydrophobicContact CZ2-CE2 3.95Å; N83-F118 HydrophobicContact CB-CB 4Å; N83-F118 HydrophobicContact CB-CD1 3.98Å; N83-F118 HydrophobicContact CB-CD2 3.62Å; N83-F118 HydrophobicContact CB-CE1 4.35Å; N83-F118 HydrophobicContact CB-CE2 4.05Å; N83-F118 HydrophobicContact CB-CG 3.58Å; N83-F118 HydrophobicContact CB-CZ 4.4Å; N83-F118 WeakPolarHBondContact ND2-CZ 3.41Å; N83-F118 PolarHBondContact O-N 3.35Å; T84-F118 HydrophobicContact CG2-CB 3.62Å; T84-F118 HydrophobicContact CG2-CD2 4.29Å; T84-F118 HydrophobicContact CG2-CG 4.49Å; Y116-F118 HydrophobicContact CD2-CD1 4.36Å; Y116-F118 AromaticContact CD2-CE1 3.74Å; Y116-F118 HydrophobicContact CD2-CE1 3.74Å; Y116-F118 AromaticContact CE2-CE1 3.66Å; Y116-F118 HydrophobicContact CE2-CE1 3.66Å; Y116-F118 HydrophobicContact CE2-CZ 4.08Å; F118-R120 PolarHBondContact O-N 3.37Å; F118-F125 HydrophobicContact CE2-CD1 4.27Å; F118-P126 HydrophobicContact CB-CG 3.91Å; F118-I133 HydrophobicContact CD1-CG2 3.5Å; F118-I133 VanDerWaalsContact CD1-CG2 3.5Å; F118-I133 HydrophobicContact CD2-CG2 4.16Å; F118-I133 HydrophobicContact CE1-CG2 3.52Å; F118-I133 HydrophobicContact CE2-CD1 4.36Å; F118-I133 HydrophobicContact CE2-CG2 4.16Å; F118-I133 HydrophobicContact CG-CG2 3.85Å; F118-I133 HydrophobicContact CZ-CG1 4.31Å; F118-I133 HydrophobicContact CZ-CG2 3.85Å; F118-C134 WeakPolarHBondContact CA-O 3.43Å; F118-Y135 AromaticContact CD1-CD1 3.9Å; F118-Y135 HydrophobicContact CD1-CD1 3.9Å; F118-Y135 HydrophobicContact CD1-CE1 4.2Å; F118-Y135 AromaticContact CE1-CD1 3.97Å; F118-Y135 HydrophobicContact CE1-CD1 3.97Å; F118-Y135 AromaticContact CE1-CE1 3.79Å; F118-Y135 HydrophobicContact CE1-CE1 3.79Å; F118-D136 VanDerWaalsContact O-CB 3.25Å; F118-D136 WeakPolarHBondContact O-CB 3.44Å
119E98.7Very high97.6Very high102 Ų10245.7 Ų45.748%0.47725%0.248SC..  trans-46.7132.5175.5-177.6-178.3-107.500111.4T84 G121 P126 C134T84-E119 WeakPolarHBondContact CG2-O 3.48Å; E119-G121 PolarHBondContact O-N 2.94Å; E119-P126 HydrophobicContact CB-CB 3.94Å; E119-P126 HydrophobicContact CB-CG 3.79Å; E119-C134 HydrophobicContact CB-CB 3.64Å; E119-C134 HydrophobicContact CG-CB 4.43Å; E119-C134 PolarHBondContact N-O 2.99Å
120R98.4Very high97Very high114 Ų11451.2 Ų51.243%0.4328%0.277SS..SBendtrans-63.2130.9-177.7-175.7174.7178.2-173.45.2110.2E89 D90 F118E89-R120 IonicContact OE2-CZ 3.21Å; E89-R120 IonicContact OE2-NH1 3.49Å; E89-R120 PolarHBondContact OE2-NH1 2.89Å; E89-R120 IonicContact OE2-NH2 2.92Å; E89-R120 PolarHBondContact OE2-NH2 3.28Å; D90-R120 IonicContact OD1-CZ 2.9Å; D90-R120 IonicContact OD1-NE 3.52Å; D90-R120 PolarHBondContact OD1-NE 2.82Å; D90-R120 IonicContact OD1-NH2 2.65Å; D90-R120 PolarHBondContact OD1-NH2 2.91Å; D90-R120 WeakPolarHBondContact OD2-CD 3.23Å; D90-R120 WeakPolarHBondContact OD2-CG 3.45Å; D90-R120 IonicContact OD2-CZ 3.76Å; D90-R120 IonicContact OD2-NE 3.52Å; D90-R120 PolarHBondContact OD2-NE 2.69Å; D90-R120 IonicContact OD2-NH2 3.67Å; F118-R120 PolarHBondContact O-N 3.37Å
121G97.4Very high96.5Very high28 Ų2852.5 Ų52.529%0.28929%0.291SS..SBendtrans157.8-171.3176.500000113.2K85 E119K85-G121 WeakPolarHBondContact CE-O 3.49Å; K85-G121 PolarHBondContact NZ-O 2.98Å; E119-G121 PolarHBondContact O-N 2.94Å
122D97.4Very high96.1Very high147 Ų14754.7 Ų54.779%0.78631%0.305SS*.SBendtrans-96-11.2-178.5-65-30.2000113.6K85 P124K85-D122 IonicContact NZ-OD1 3.04Å; K85-D122 PolarHBondContact NZ-OD1 2.89Å; D122-P124 VanDerWaalsContact O-CD 3.24Å; D122-P124 WeakPolarHBondContact O-CD 3.46Å
123N97.9Very high95.9Very high92 Ų9254.8 Ų54.849%0.49231%0.305SS..  trans-74.6113.8166.5178.83.6000109T84 F125 P126T84-N123 WeakPolarHBondContact CG2-O 3.11Å; N123-F125 PolarHBondContact ND2-O 2.95Å; N123-F125 PolarHBondContact O-N 2.87Å; N123-F125 PolarHBondContact OD1-N 3.42Å; N123-F125 PolarHBondContact OD1-O 3.22Å; N123-P126 WeakPolarHBondContact ND2-CA 3.41Å; N123-P126 WeakPolarHBondContact O-CD 3.42Å
124P96.9Very high95.8Very high48 Ų4854.7 Ų54.731%0.31231%0.306SS..SBendtrans-70.3-18.1-177.728-35000114I49 W82 D122I49-P124 HydrophobicContact CD1-CB 3.53Å; I49-P124 HydrophobicContact CD1-CG 4.31Å; W82-P124 PolarHBondContact NE1-O 2.67Å; D122-P124 VanDerWaalsContact O-CD 3.24Å; D122-P124 WeakPolarHBondContact O-CD 3.46Å
125F96.6Very high95.8Very high77 Ų7758 Ų5834%0.33832%0.319SS..SBendtrans-129.672.3177.2-59.8-77.3000108.8I49 W82 F118 N123 K127 I133I49-F125 HydrophobicContact CD1-CE2 3.81Å; I49-F125 HydrophobicContact CD1-CZ 3.82Å; I49-F125 HydrophobicContact CG1-CZ 4.12Å; W82-F125 AromaticContact CH2-CE1 3.95Å; W82-F125 HydrophobicContact CH2-CE1 3.95Å; W82-F125 HydrophobicContact CH2-CZ 4.26Å; W82-F125 HydrophobicContact CZ2-CD1 4.12Å; W82-F125 AromaticContact CZ2-CE1 3.43Å; W82-F125 HydrophobicContact CZ2-CE1 3.43Å; W82-F125 VanDerWaalsContact CZ2-CE1 3.43Å; W82-F125 AromaticContact CZ2-CZ 3.8Å; W82-F125 HydrophobicContact CZ2-CZ 3.8Å; F118-F125 HydrophobicContact CE2-CD1 4.27Å; N123-F125 PolarHBondContact ND2-O 2.95Å; N123-F125 PolarHBondContact O-N 2.87Å; N123-F125 PolarHBondContact OD1-N 3.42Å; N123-F125 PolarHBondContact OD1-O 3.22Å; F125-K127 PolarHBondContact O-N 3.25Å; F125-I133 HydrophobicContact CB-CD1 4.35Å
126P96.9Very high95.8Very high5 Ų560.3 Ų60.33%0.03233%0.331CS..  trans-65134.5177.631.3-34.7000109.1T84 F118 E119 N123 I133 C134T84-P126 HydrophobicContact CG2-CG 4.23Å; F118-P126 HydrophobicContact CB-CG 3.91Å; E119-P126 HydrophobicContact CB-CB 3.94Å; E119-P126 HydrophobicContact CB-CG 3.79Å; N123-P126 WeakPolarHBondContact ND2-CA 3.41Å; N123-P126 WeakPolarHBondContact O-CD 3.42Å; P126-I133 WeakPolarHBondContact O-CA 3.26Å; P126-C134 HydrophobicContact CB-CB 4.01Å; P126-C134 HydrophobicContact CG-CB 4.22Å; P126-C134 PolarHBondContact O-N 3.38Å
127K94.5Very high95.8Very high119 Ų11965.8 Ų65.852%0.51737%0.37SS..BIsolated β-bridgetrans-126.8139-173.9-71.1-179.3-179.9-176.10111.6F125 T132 I133F125-K127 PolarHBondContact O-N 3.25Å; K127-T132 CarbonylContact C-O 3.56Å; K127-T132 WeakPolarHBondContact CA-O 3.38Å; K127-I133 HydrophobicContact CG-CD1 4.45Å
128N93.2Very high95.8Very high75 Ų7566.3 Ų66.340%0.40137%0.373SS..  trans-66.6169.8167.9-66.6-55000110.2D130 G131 T132 I133 C134N128-D130 VanDerWaalsContact CB-OD1 3.31Å; N128-D130 WeakPolarHBondContact CB-OD1 3.4Å; N128-D130 PolarHBondContact O-N 2.93Å; N128-D130 VanDerWaalsContact O-N 3.17Å; N128-G131 PolarHBondContact O-N 3.28Å; N128-T132 PolarHBondContact N-O 3.39Å; N128-T132 PolarHBondContact ND2-OG1 3.35Å; N128-I133 PolarHBondContact ND2-O 3.42Å; N128-I133 VanDerWaalsContact ND2-O 3.14Å; N128-C134 PolarHBondContact N-SG 3.31Å; N128-C134 PolarHBondContact OD1-SG 2.94Å
129A92.3Very high95.8Very high120 Ų12068.7 Ų68.799%0.99238%0.384SS*.THydrogen-bonded Turntrans-58.8-27.817700000113.4G131A129-G131 VanDerWaalsContact C-N 3.3Å
130D87.8Confident95.8Very high115 Ų11563.9 Ų63.962%0.61536%0.361SS*.THydrogen-bonded Turntrans-84.40.8177.168.43.6000113.9N128 T132N128-D130 VanDerWaalsContact CB-OD1 3.31Å; N128-D130 WeakPolarHBondContact CB-OD1 3.4Å; N128-D130 PolarHBondContact O-N 2.93Å; N128-D130 VanDerWaalsContact O-N 3.17Å; D130-T132 VanDerWaalsContact C-N 3.34Å; D130-T132 VanDerWaalsContact OD1-CB 3.3Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.33Å; D130-T132 PolarHBondContact OD1-N 3.02Å; D130-T132 PolarHBondContact OD1-OG1 2.95Å; D130-T132 PolarHBondContact OD2-OG1 3.38Å
131G87.6Confident95.8Very high28 Ų2861.5 Ų61.529%0.28935%0.354SS..SBendtrans84.8-2.9179.400000115.5N128 A129N128-G131 PolarHBondContact O-N 3.28Å; A129-G131 VanDerWaalsContact C-N 3.3Å
132T90.8Very high95.9Very high47 Ų4765.1 Ų65.129%0.28836%0.363SS..  trans-71.7164.3170.7650000111.2K127 N128 D130K127-T132 CarbonylContact C-O 3.56Å; K127-T132 WeakPolarHBondContact CA-O 3.38Å; N128-T132 PolarHBondContact N-O 3.39Å; N128-T132 PolarHBondContact ND2-OG1 3.35Å; D130-T132 VanDerWaalsContact C-N 3.34Å; D130-T132 VanDerWaalsContact OD1-CB 3.3Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.33Å; D130-T132 PolarHBondContact OD1-N 3.02Å; D130-T132 PolarHBondContact OD1-OG1 2.95Å; D130-T132 PolarHBondContact OD2-OG1 3.38Å
133I94.8Very high95.9Very high2 Ų258.1 Ų58.11%0.0133%0.326CS..BIsolated β-bridgetrans-74.1137.5180-67.2-64.4000111.6F118 F125 P126 K127 N128 Y135 L303 R312F118-I133 HydrophobicContact CD1-CG2 3.5Å; F118-I133 VanDerWaalsContact CD1-CG2 3.5Å; F118-I133 HydrophobicContact CD2-CG2 4.16Å; F118-I133 HydrophobicContact CE1-CG2 3.52Å; F118-I133 HydrophobicContact CE2-CD1 4.36Å; F118-I133 HydrophobicContact CE2-CG2 4.16Å; F118-I133 HydrophobicContact CG-CG2 3.85Å; F118-I133 HydrophobicContact CZ-CG1 4.31Å; F118-I133 HydrophobicContact CZ-CG2 3.85Å; F125-I133 HydrophobicContact CB-CD1 4.35Å; P126-I133 WeakPolarHBondContact O-CA 3.26Å; K127-I133 HydrophobicContact CG-CD1 4.45Å; N128-I133 PolarHBondContact ND2-O 3.42Å; N128-I133 VanDerWaalsContact ND2-O 3.14Å; I133-Y135 HydrophobicContact CB-CE1 4.15Å; I133-Y135 HydrophobicContact CB-CE2 4.32Å; I133-Y135 HydrophobicContact CG2-CD1 3.99Å; I133-Y135 HydrophobicContact CG2-CE1 3.83Å; I133-Y135 HydrophobicContact CG2-CG 4.42Å; I133-Y135 WeakPolarHBondContact O-CD2 3.3Å; I133-Y135 WeakPolarHBondContact O-CE2 3.3Å; I133-Y135 PolarHBondContact O-N 3.48Å; I133-L303 HydrophobicContact CG1-CD1 4.44Å; I133-R312 VanDerWaalsContact CG1-CD 3.47Å; I133-R312 HydrophobicContact CG1-CG 3.71Å
134C97.2Very high96Very high13 Ų1353.8 Ų53.89%0.08830%0.303CS..  trans-76.9113.1163.6-57.30000109.2F118 E119 P126 N128F118-C134 WeakPolarHBondContact CA-O 3.43Å; E119-C134 HydrophobicContact CB-CB 3.64Å; E119-C134 HydrophobicContact CG-CB 4.43Å; E119-C134 PolarHBondContact N-O 2.99Å; P126-C134 HydrophobicContact CB-CB 4.01Å; P126-C134 HydrophobicContact CG-CB 4.22Å; P126-C134 PolarHBondContact O-N 3.38Å; N128-C134 PolarHBondContact N-SG 3.31Å; N128-C134 PolarHBondContact OD1-SG 2.94Å
135Y98.3Very high96.1Very high84 Ų8455.5 Ų55.533%0.32931%0.305SS..EExtended strand (participates in β ladder)trans-88.3154.1176.3-59.3-76.6000111.4F118 I133 R312 D313 H316F118-Y135 AromaticContact CD1-CD1 3.9Å; F118-Y135 HydrophobicContact CD1-CD1 3.9Å; F118-Y135 HydrophobicContact CD1-CE1 4.2Å; F118-Y135 AromaticContact CE1-CD1 3.97Å; F118-Y135 HydrophobicContact CE1-CD1 3.97Å; F118-Y135 AromaticContact CE1-CE1 3.79Å; F118-Y135 HydrophobicContact CE1-CE1 3.79Å; I133-Y135 HydrophobicContact CB-CE1 4.15Å; I133-Y135 HydrophobicContact CB-CE2 4.32Å; I133-Y135 HydrophobicContact CG2-CD1 3.99Å; I133-Y135 HydrophobicContact CG2-CE1 3.83Å; I133-Y135 HydrophobicContact CG2-CG 4.42Å; I133-Y135 WeakPolarHBondContact O-CD2 3.3Å; I133-Y135 WeakPolarHBondContact O-CE2 3.3Å; I133-Y135 PolarHBondContact O-N 3.48Å; Y135-R312 PolarHBondContact OH-O 3.16Å; Y135-R312 VanDerWaalsContact OH-O 3.07Å; Y135-D313 PolarHBondContact OH-OD1 2.93Å; Y135-D313 VanDerWaalsContact OH-OD1 3.12Å; Y135-H316 AromaticContact CD1-CD2 3.43Å; Y135-H316 VanDerWaalsContact CD1-CD2 3.43Å; Y135-H316 WeakPolarHBondContact CD1-CD2 3.39Å; Y135-H316 AromaticContact CD1-NE2 3.99Å; Y135-H316 AromaticContact CE1-CD2 3.76Å; Y135-H316 AromaticContact CG-CD2 3.68Å
136D98.5Very high96.2Very high48 Ų4852.7 Ų52.726%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-111.3153.8165.5178.2-98.3000109.5A117 F118 T138A117-D136 HydrophobicContact CB-CB 3.88Å; A117-D136 PolarHBondContact O-N 3.07Å; F118-D136 VanDerWaalsContact O-CB 3.25Å; F118-D136 WeakPolarHBondContact O-CB 3.44Å; D136-T138 WeakPolarHBondContact OD1-CB 3.37Å; D136-T138 PolarHBondContact OD1-N 3.28Å; D136-T138 PolarHBondContact OD1-OG1 2.81Å
137S98.3Very high96.3Very high115 Ų11552.4 Ų52.480%0.80429%0.294SS*.  trans-93.2-0.4-174.165.80000115H139S137-H139 PolarHBondContact O-N 3.03Å
138T98.8Very high96.5Very high12 Ų1247.6 Ų47.67%0.07427%0.274CS..  trans-53.2122.7178.9-59.50000110.2H86 D136 E142H86-T138 HydrophobicContact CB-CG2 4.44Å; D136-T138 WeakPolarHBondContact OD1-CB 3.37Å; D136-T138 PolarHBondContact OD1-N 3.28Å; D136-T138 PolarHBondContact OD1-OG1 2.81Å; T138-E142 HydrophobicContact CG2-CB 4.23Å
139H98.9Very high96.8Very high52 Ų5246.3 Ų46.324%0.24127%0.273CS..  trans-76.6140.3180-163.2-87000110.1S137 K141 E142 T143 D171S137-H139 PolarHBondContact O-N 3.03Å; H139-K141 VanDerWaalsContact CE1-CE 3.44Å; H139-K141 WeakPolarHBondContact CE1-CE 3.25Å; H139-K141 PolarHBondContact ND1-N 3.21Å; H139-K141 PolarHBondContact O-N 2.84Å; H139-E142 HydrophobicContact CB-CG 4.43Å; H139-E142 PolarHBondContact N-OE2 2.78Å; H139-E142 VanDerWaalsContact N-OE2 3.12Å; H139-E142 WeakPolarHBondContact O-CB 3.41Å; H139-E142 PolarHBondContact O-N 3.33Å; H139-T143 PolarHBondContact O-N 3.09Å; H139-D171 IonicContact CE1-OD2 3.16Å; H139-D171 PolarHBondContact CE1-OD2 3.01Å
140Y98.9Very high97.1Very high1 Ų140.6 Ų40.60%0.00423%0.226CC..Hα-helixtrans-57.3-20.5-179.953.1-103.5000114.1M112 P115 W144 F164 Q168 D171 I172 L318M112-Y140 WeakPolarHBondContact CE-O 3.11Å; P115-Y140 HydrophobicContact CB-CD1 4.15Å; P115-Y140 WeakPolarHBondContact O-CD1 3.2Å; Y140-W144 WeakPolarHBondContact O-CB 3.12Å; Y140-W144 PolarHBondContact O-N 2.9Å; Y140-F164 HydrophobicContact CD1-CE1 4.45Å; Y140-F164 AromaticContact CD2-CE1 3.96Å; Y140-F164 HydrophobicContact CD2-CE1 3.96Å; Y140-F164 HydrophobicContact CE2-CE1 4.48Å; Y140-F164 AromaticContact CG-CE1 3.92Å; Y140-F164 HydrophobicContact CG-CE1 3.92Å; Y140-F164 HydrophobicContact CG-CZ 4.3Å; Y140-Q168 HydrophobicContact CE1-CG 4.2Å; Y140-D171 HydrophobicContact CE2-CB 4.07Å; Y140-D171 WeakPolarHBondContact CE2-OD2 3.45Å; Y140-D171 PolarHBondContact OH-OD2 3.38Å; Y140-I172 HydrophobicContact CD2-CD1 3.56Å; Y140-I172 HydrophobicContact CD2-CG1 3.9Å; Y140-I172 HydrophobicContact CE2-CD1 4.19Å; Y140-I172 HydrophobicContact CE2-CG1 4.13Å; Y140-L318 HydrophobicContact CD1-CD1 4.07Å; Y140-L318 HydrophobicContact CE1-CD1 4.26Å; Y140-L318 HydrophobicContact CE1-CD2 4.15Å
141K98.9Very high97.6Very high63 Ų6337 Ų3727%0.27421%0.208SC..Hα-helixtrans-69.5-36.3173.6-73-171.2-71.6-155.50112.6H139 W144 K145 D171 I172 V175H139-K141 VanDerWaalsContact CE1-CE 3.44Å; H139-K141 WeakPolarHBondContact CE1-CE 3.25Å; H139-K141 PolarHBondContact ND1-N 3.21Å; H139-K141 PolarHBondContact O-N 2.84Å; K141-W144 PolarHBondContact O-N 2.8Å; K141-K145 WeakPolarHBondContact O-CG 3.5Å; K141-K145 PolarHBondContact O-N 3.36Å; K141-K145 VanDerWaalsContact O-N 3.12Å; K141-D171 VanDerWaalsContact CD-OD2 3.27Å; K141-D171 WeakPolarHBondContact CD-OD2 3.34Å; K141-D171 WeakPolarHBondContact CE-OD2 3.36Å; K141-D171 VanDerWaalsContact NZ-CG 3.26Å; K141-D171 IonicContact NZ-OD1 3.2Å; K141-D171 PolarHBondContact NZ-OD1 2.9Å; K141-D171 IonicContact NZ-OD2 3.65Å; K141-D171 PolarHBondContact NZ-OD2 2.9Å; K141-I172 HydrophobicContact CG-CD1 4.37Å; K141-V175 HydrophobicContact CB-CG2 4.23Å; K141-V175 HydrophobicContact CD-CG1 3.95Å; K141-V175 HydrophobicContact CD-CG2 3.87Å; K141-V175 HydrophobicContact CG-CG2 3.9Å
142E98.8Very high98.1Very high105 Ų10540.2 Ų40.249%0.49123%0.232SC..Hα-helixtrans-69.7-44.4176-59.6178.797.200109.9P88 T138 H139 W144 K145 A146P88-E142 HydrophobicContact CG-CB 4.32Å; T138-E142 HydrophobicContact CG2-CB 4.23Å; H139-E142 HydrophobicContact CB-CG 4.43Å; H139-E142 PolarHBondContact N-OE2 2.78Å; H139-E142 VanDerWaalsContact N-OE2 3.12Å; H139-E142 WeakPolarHBondContact O-CB 3.41Å; H139-E142 PolarHBondContact O-N 3.33Å; E142-W144 VanDerWaalsContact C-N 3.31Å; E142-W144 PolarHBondContact O-N 3.15Å; E142-K145 PolarHBondContact O-N 3.11Å; E142-A146 PolarHBondContact O-N 3.28Å
143T98.9Very high98.5Very high0 Ų043.4 Ų43.40%024%0.242CC..Hα-helixtrans-59.2-41.6172.1-46.70000111.6L81 H86 V91 M112 H139 K145 A146 L147L81-T143 HydrophobicContact CD2-CG2 3.56Å; H86-T143 HydrophobicContact CB-CG2 4.25Å; H86-T143 WeakPolarHBondContact O-CB 3.46Å; H86-T143 WeakPolarHBondContact O-CG2 3.24Å; H86-T143 PolarHBondContact O-OG1 3.46Å; V91-T143 HydrophobicContact CG2-CG2 3.99Å; M112-T143 HydrophobicContact CE-CG2 3.56Å; M112-T143 HydrophobicContact SD-CG2 4.1Å; H139-T143 PolarHBondContact O-N 3.09Å; T143-K145 PolarHBondContact O-N 3Å; T143-A146 PolarHBondContact O-N 3.26Å; T143-L147 HydrophobicContact CG2-CD1 4.39Å; T143-L147 WeakPolarHBondContact O-CG 3.46Å; T143-L147 PolarHBondContact O-N 3.39Å
144W98.9Very high98.6Very high0 Ų044.9 Ų44.90%026%0.258CS..Hα-helixtrans-59.5-46.5177.2-171-99.2000111.9M112 Y140 K141 E142 A146 L147 E148 L159 L161 I172 V178 P180M112-W144 HydrophobicContact CE-CE3 4.38Å; Y140-W144 WeakPolarHBondContact O-CB 3.12Å; Y140-W144 PolarHBondContact O-N 2.9Å; K141-W144 PolarHBondContact O-N 2.8Å; E142-W144 VanDerWaalsContact C-N 3.31Å; E142-W144 PolarHBondContact O-N 3.15Å; W144-A146 VanDerWaalsContact C-N 3.27Å; W144-A146 PolarHBondContact O-N 3.47Å; W144-L147 HydrophobicContact CE3-CD1 4.1Å; W144-L147 HydrophobicContact CZ3-CD1 4.47Å; W144-L147 WeakPolarHBondContact O-CA 3.08Å; W144-L147 WeakPolarHBondContact O-CB 3.37Å; W144-L147 PolarHBondContact O-N 2.93Å; W144-E148 PolarHBondContact NE1-OE1 3.23Å; W144-E148 WeakPolarHBondContact O-CG 3.27Å; W144-E148 PolarHBondContact O-N 3.35Å; W144-L159 HydrophobicContact CH2-CB 3.46Å; W144-L159 VanDerWaalsContact CH2-CB 3.46Å; W144-L159 HydrophobicContact CH2-CD1 4.38Å; W144-L159 HydrophobicContact CZ2-CB 4.02Å; W144-L159 HydrophobicContact CZ2-CD1 4.31Å; W144-L159 HydrophobicContact CZ3-CB 4.09Å; W144-L161 HydrophobicContact CE3-CD2 3.8Å; W144-L161 HydrophobicContact CH2-CD2 4.39Å; W144-L161 HydrophobicContact CZ3-CD2 3.52Å; W144-L161 HydrophobicContact CZ3-CG 4.25Å; W144-I172 HydrophobicContact CB-CD1 3.61Å; W144-I172 HydrophobicContact CD2-CD1 4.1Å; W144-I172 HydrophobicContact CD2-CG2 3.79Å; W144-I172 HydrophobicContact CE3-CD1 4.29Å; W144-I172 HydrophobicContact CE3-CG2 4.24Å; W144-I172 HydrophobicContact CG-CD1 3.8Å; W144-I172 HydrophobicContact CG-CG2 4.11Å; W144-I172 HydrophobicContact CZ2-CG2 4.23Å; W144-V178 VanDerWaalsContact CZ2-O 3.25Å; W144-V178 WeakPolarHBondContact CZ2-O 3.45Å; W144-V178 PolarHBondContact NE1-O 3.02Å; W144-P180 HydrophobicContact CH2-CB 3.57Å; W144-P180 HydrophobicContact CH2-CG 4.31Å; W144-P180 HydrophobicContact CZ2-CB 3.94Å; W144-P180 HydrophobicContact CZ2-CG 4.25Å; W144-P180 HydrophobicContact CZ3-CB 4.43Å
145K98.8Very high98.7Very high85 Ų8545.3 Ų45.337%0.3726%0.259SS..Hα-helixtrans-58.7-38.1177-71.8-75.5156.4-154.80112.6K141 E142 T143 E148 V175 S177K141-K145 WeakPolarHBondContact O-CG 3.5Å; K141-K145 PolarHBondContact O-N 3.36Å; K141-K145 VanDerWaalsContact O-N 3.12Å; E142-K145 PolarHBondContact O-N 3.11Å; T143-K145 PolarHBondContact O-N 3Å; K145-E148 WeakPolarHBondContact CD-OE2 3.42Å; K145-E148 WeakPolarHBondContact CE-OE2 3.38Å; K145-E148 IonicContact NZ-OE1 2.84Å; K145-E148 IonicContact NZ-OE2 3.73Å; K145-E148 PolarHBondContact NZ-OE2 3.05Å; K145-E148 PolarHBondContact O-N 2.84Å; K145-V175 WeakPolarHBondContact CE-O 3.41Å; K145-V175 PolarHBondContact NZ-O 3.28Å; K145-S177 PolarHBondContact NZ-OG 2.84Å
146A98.9Very high98.7Very high17 Ų1741.3 Ų41.314%0.1424%0.243CC..Hα-helixtrans-68.6-37.9173.900000112.7P88 V91 E142 T143 W144 E148 A149P88-A146 HydrophobicContact CB-CB 3.98Å; V91-A146 HydrophobicContact CB-CB 3.98Å; V91-A146 HydrophobicContact CG1-CB 4.15Å; V91-A146 HydrophobicContact CG2-CB 3.84Å; E142-A146 PolarHBondContact O-N 3.28Å; T143-A146 PolarHBondContact O-N 3.26Å; W144-A146 VanDerWaalsContact C-N 3.27Å; W144-A146 PolarHBondContact O-N 3.47Å; A146-E148 VanDerWaalsContact C-N 3.34Å; A146-E148 PolarHBondContact O-N 2.85Å; A146-A149 WeakPolarHBondContact O-CB 3.44Å; A146-A149 PolarHBondContact O-N 3.48Å
147L98.9Very high98.8Very high0 Ų045.4 Ų45.40%026%0.255CS..Hα-helixtrans-62.1-39.3174.2-72167.3000111.9L81 V91 Y110 M112 T143 W144 A149 L150 L159L81-L147 HydrophobicContact CD2-CD2 4.25Å; V91-L147 HydrophobicContact CG1-CD2 3.7Å; V91-L147 HydrophobicContact CG1-CG 4.02Å; Y110-L147 HydrophobicContact CD1-CD2 3.61Å; Y110-L147 HydrophobicContact CE1-CD2 3.82Å; M112-L147 HydrophobicContact CB-CD1 4.3Å; M112-L147 HydrophobicContact CE-CD1 3.71Å; T143-L147 HydrophobicContact CG2-CD1 4.39Å; T143-L147 WeakPolarHBondContact O-CG 3.46Å; T143-L147 PolarHBondContact O-N 3.39Å; W144-L147 HydrophobicContact CE3-CD1 4.1Å; W144-L147 HydrophobicContact CZ3-CD1 4.47Å; W144-L147 WeakPolarHBondContact O-CA 3.08Å; W144-L147 WeakPolarHBondContact O-CB 3.37Å; W144-L147 PolarHBondContact O-N 2.93Å; L147-A149 PolarHBondContact O-N 3.46Å; L147-L150 HydrophobicContact CD2-CD1 3.96Å; L147-L150 VanDerWaalsContact O-CB 3.31Å; L147-L150 WeakPolarHBondContact O-CB 3.38Å; L147-L150 WeakPolarHBondContact O-CG 3.36Å; L147-L150 PolarHBondContact O-N 3.17Å; L147-L159 HydrophobicContact CB-CD1 3.9Å; L147-L159 HydrophobicContact CB-CD2 4.05Å; L147-L159 HydrophobicContact CD2-CD2 4.46Å
148E98.9Very high98.8Very high18 Ų1840 Ų408%0.08422%0.217CC..Hα-helixtrans-57.1-36.4178.1-66.7-177.2149.200112.4W144 K145 A146 L150 V151 L159 A176 S177 V178W144-E148 PolarHBondContact NE1-OE1 3.23Å; W144-E148 WeakPolarHBondContact O-CG 3.27Å; W144-E148 PolarHBondContact O-N 3.35Å; K145-E148 WeakPolarHBondContact CD-OE2 3.42Å; K145-E148 WeakPolarHBondContact CE-OE2 3.38Å; K145-E148 IonicContact NZ-OE1 2.84Å; K145-E148 IonicContact NZ-OE2 3.73Å; K145-E148 PolarHBondContact NZ-OE2 3.05Å; K145-E148 PolarHBondContact O-N 2.84Å; A146-E148 VanDerWaalsContact C-N 3.34Å; A146-E148 PolarHBondContact O-N 2.85Å; E148-L150 PolarHBondContact O-N 2.92Å; E148-V151 PolarHBondContact O-N 3.19Å; E148-L159 HydrophobicContact CG-CD1 4.29Å; E148-A176 WeakPolarHBondContact OE1-CA 3.27Å; E148-S177 WeakPolarHBondContact OE1-CA 3.43Å; E148-S177 PolarHBondContact OE1-N 3.47Å; E148-V178 HydrophobicContact CB-CG2 4.16Å; E148-V178 HydrophobicContact CG-CB 4.01Å; E148-V178 HydrophobicContact CG-CG2 4.13Å; E148-V178 PolarHBondContact OE1-N 2.94Å
149A98.8Very high98.8Very high47 Ų4739.4 Ų39.439%0.38821%0.214SC..Hα-helixtrans-63.7-26.2177.700000113.1A146 L147 V151 A152 K153A146-A149 WeakPolarHBondContact O-CB 3.44Å; A146-A149 PolarHBondContact O-N 3.48Å; L147-A149 PolarHBondContact O-N 3.46Å; A149-V151 VanDerWaalsContact C-N 3.32Å; A149-A152 PolarHBondContact O-N 2.96Å; A149-K153 WeakPolarHBondContact O-CG 3.33Å; A149-K153 PolarHBondContact O-N 3.4Å
150L98.9Very high98.8Very high1 Ų137 Ų371%0.00520%0.203CC..Hα-helixtrans-70.6-30.9179.3-49.7179.3000112V91 E92 L95 Y110 L147 E148 K153 G154 L155 V156V91-L150 HydrophobicContact CG1-CD1 3.76Å; V91-L150 HydrophobicContact CG1-CG 4.39Å; E92-L150 HydrophobicContact CB-CD2 3.71Å; E92-L150 HydrophobicContact CG-CD2 4.01Å; L95-L150 HydrophobicContact CB-CD1 4.11Å; L95-L150 HydrophobicContact CD2-CB 3.97Å; L95-L150 HydrophobicContact CD2-CD1 3.49Å; L95-L150 VanDerWaalsContact CD2-CD1 3.49Å; L95-L150 HydrophobicContact CD2-CD2 4.24Å; L95-L150 HydrophobicContact CD2-CG 4.1Å; L95-L150 HydrophobicContact CG-CD1 4.4Å; Y110-L150 HydrophobicContact CD1-CD1 4.2Å; Y110-L150 HydrophobicContact CE1-CD1 4.32Å; L147-L150 HydrophobicContact CD2-CD1 3.96Å; L147-L150 VanDerWaalsContact O-CB 3.31Å; L147-L150 WeakPolarHBondContact O-CB 3.38Å; L147-L150 WeakPolarHBondContact O-CG 3.36Å; L147-L150 PolarHBondContact O-N 3.17Å; E148-L150 PolarHBondContact O-N 2.92Å; L150-K153 PolarHBondContact O-N 2.9Å; L150-G154 PolarHBondContact O-N 3.08Å; L150-L155 PolarHBondContact O-N 3.39Å; L150-L155 VanDerWaalsContact O-N 3.1Å; L150-V156 HydrophobicContact CB-CG2 4.14Å
151V98.7Very high98.8Very high39 Ų3936.9 Ų36.924%0.23620%0.202CC..Hα-helixtrans-68.7-44.6175.9179.60000110.1E148 A149 K153 G154 L159 V178E148-V151 PolarHBondContact O-N 3.19Å; A149-V151 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.04Å; V151-G154 PolarHBondContact O-N 3.34Å; V151-L159 HydrophobicContact CG2-CD1 3.81Å; V151-L159 HydrophobicContact CG2-CD2 4.18Å; V151-L159 HydrophobicContact CG2-CG 3.7Å; V151-V178 HydrophobicContact CG2-CG1 4.36Å
152A97.8Very high98.8Very high96 Ų9634 Ų3479%0.79319%0.19SC*.Hα-helixtrans-60.6-30.1175.700000112.7A149 G154A149-A152 PolarHBondContact O-N 2.96Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 2.74Å
153K98.7Very high98.8Very high114 Ų11429.1 Ų29.150%0.49617%0.167SC..THydrogen-bonded Turntrans-80.3-3.8174.7-68.4178.6178.1-168.90114E92 A149 L150 V151 L155E92-K153 IonicContact OE1-NZ 3.86Å; E92-K153 PolarHBondContact OE1-NZ 3.39Å; E92-K153 IonicContact OE2-NZ 3.87Å; E92-K153 PolarHBondContact OE2-NZ 3.48Å; A149-K153 WeakPolarHBondContact O-CG 3.33Å; A149-K153 PolarHBondContact O-N 3.4Å; L150-K153 PolarHBondContact O-N 2.9Å; V151-K153 PolarHBondContact O-N 3.04Å; K153-L155 HydrophobicContact CB-CD1 4.13Å; K153-L155 HydrophobicContact CB-CG 3.95Å; K153-L155 HydrophobicContact CD-CD1 4.43Å; K153-L155 PolarHBondContact O-N 3.02Å
154G98.6Very high98.8Very high33 Ų3329.2 Ų29.234%0.3417%0.167SC..THydrogen-bonded Turntrans72.19.6-178.300000114.9L150 V151 A152 V156L150-G154 PolarHBondContact O-N 3.08Å; V151-G154 PolarHBondContact O-N 3.34Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 2.74Å; G154-V156 VanDerWaalsContact C-N 3.34Å
155L98.9Very high98.8Very high21 Ų2129.3 Ų29.311%0.1117%0.168CC..SBendtrans-78.3-22.1-178.6-58.6176.8000112.3L95 L99 Y106 L107 L150 K153L95-L155 HydrophobicContact CD2-CB 3.67Å; L95-L155 HydrophobicContact CD2-CD1 4.25Å; L99-L155 HydrophobicContact CD1-CB 4.21Å; L99-L155 HydrophobicContact CD1-CD2 4.12Å; Y106-L155 VanDerWaalsContact CA-O 3.25Å; Y106-L155 WeakPolarHBondContact CA-O 3.25Å; L107-L155 PolarHBondContact N-O 3.31Å; L150-L155 PolarHBondContact O-N 3.39Å; L150-L155 VanDerWaalsContact O-N 3.1Å; K153-L155 HydrophobicContact CB-CD1 4.13Å; K153-L155 HydrophobicContact CB-CG 3.95Å; K153-L155 HydrophobicContact CD-CD1 4.43Å; K153-L155 PolarHBondContact O-N 3.02Å
156V98.8Very high98.8Very high1 Ų126.1 Ų26.11%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-139.1139178-170.70000109.6L95 L107 Y110 L150 G154 A158 L159L95-V156 HydrophobicContact CD1-CG2 4.08Å; L95-V156 HydrophobicContact CD2-CG2 3.35Å; L95-V156 HydrophobicContact CG-CG2 4.39Å; L107-V156 HydrophobicContact CB-CG1 4.47Å; L107-V156 CarbonylContact O-C 3.47Å; L107-V156 WeakPolarHBondContact O-CA 3.41Å; Y110-V156 HydrophobicContact CG-CG2 4.41Å; L150-V156 HydrophobicContact CB-CG2 4.14Å; G154-V156 VanDerWaalsContact C-N 3.34Å; V156-A158 WeakPolarHBondContact CG1-O 3.33Å; V156-L159 HydrophobicContact CG1-CD2 4.18Å
157R98.8Very high98.8Very high133 Ų13330.8 Ų30.850%0.50217%0.17SC..EExtended strand (participates in β ladder)trans-86.1-39.6177.5-58.6-62.4-176.3179.4-1.3113.6Y106 L107Y106-R157 HydrophobicContact CD2-CG 3.71Å; Y106-R157 HydrophobicContact CE2-CG 3.93Å; L107-R157 PolarHBondContact O-N 3.34Å
158A98.9Very high98.8Very high1 Ų130.8 Ų30.81%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-137.1150.7175.100000112.4T10 D108 L109 Y110 V156 A181T10-A158 HydrophobicContact CG2-CB 4.1Å; D108-A158 PolarHBondContact O-N 2.88Å; D108-A158 VanDerWaalsContact O-N 3.08Å; L109-A158 WeakPolarHBondContact CA-O 3.01Å; L109-A158 HydrophobicContact CD1-CB 4.07Å; Y110-A158 PolarHBondContact N-O 3.26Å; V156-A158 WeakPolarHBondContact CG1-O 3.33Å; A158-A181 HydrophobicContact CB-CB 4.04Å
159L99Very high98.8Very high1 Ų129.9 Ų29.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-107.4157173.1-62.7173.7000110.5Y110 W144 L147 E148 V151 V156 V178 P180 A181Y110-L159 WeakPolarHBondContact O-CA 3.44Å; W144-L159 HydrophobicContact CH2-CB 3.46Å; W144-L159 VanDerWaalsContact CH2-CB 3.46Å; W144-L159 HydrophobicContact CH2-CD1 4.38Å; W144-L159 HydrophobicContact CZ2-CB 4.02Å; W144-L159 HydrophobicContact CZ2-CD1 4.31Å; W144-L159 HydrophobicContact CZ3-CB 4.09Å; L147-L159 HydrophobicContact CB-CD1 3.9Å; L147-L159 HydrophobicContact CB-CD2 4.05Å; L147-L159 HydrophobicContact CD2-CD2 4.46Å; E148-L159 HydrophobicContact CG-CD1 4.29Å; V151-L159 HydrophobicContact CG2-CD1 3.81Å; V151-L159 HydrophobicContact CG2-CD2 4.18Å; V151-L159 HydrophobicContact CG2-CG 3.7Å; V156-L159 HydrophobicContact CG1-CD2 4.18Å; L159-V178 HydrophobicContact CD1-CB 4.44Å; L159-V178 HydrophobicContact CD1-CG1 4.31Å; L159-P180 WeakPolarHBondContact O-CA 3.45Å; L159-A181 PolarHBondContact O-N 2.9Å
160G98.9Very high98.8Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-159.9-174.6173.900000113.5Y110 L111 M112 V182Y110-G160 PolarHBondContact O-N 2.98Å; L111-G160 WeakPolarHBondContact CA-O 3.24Å; M112-G160 PolarHBondContact N-O 3.46Å; M112-G160 VanDerWaalsContact N-O 3.15Å; G160-V182 CarbonylContact C-O 3.47Å; G160-V182 VanDerWaalsContact CA-O 3.25Å; G160-V182 WeakPolarHBondContact CA-O 3.46Å
161L99Very high98.8Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-122.7144.8-172.4-57.8174.8000109.5W144 F164 I169 I172 P180 V182 L183 Q184W144-L161 HydrophobicContact CE3-CD2 3.8Å; W144-L161 HydrophobicContact CH2-CD2 4.39Å; W144-L161 HydrophobicContact CZ3-CD2 3.52Å; W144-L161 HydrophobicContact CZ3-CG 4.25Å; L161-F164 HydrophobicContact CB-CB 4.1Å; L161-F164 HydrophobicContact CB-CD1 4.44Å; L161-F164 HydrophobicContact CB-CD2 3.74Å; L161-F164 HydrophobicContact CB-CE2 4.29Å; L161-F164 HydrophobicContact CB-CG 3.84Å; L161-F164 HydrophobicContact CD1-CB 4.29Å; L161-F164 HydrophobicContact CD1-CD1 3.95Å; L161-F164 HydrophobicContact CD1-CG 4.08Å; L161-F164 HydrophobicContact CD2-CD1 4.08Å; L161-F164 HydrophobicContact CD2-CD2 4.2Å; L161-F164 HydrophobicContact CD2-CE1 3.9Å; L161-F164 HydrophobicContact CD2-CE2 4.01Å; L161-F164 HydrophobicContact CD2-CG 4.25Å; L161-F164 HydrophobicContact CD2-CZ 3.87Å; L161-F164 HydrophobicContact CG-CD1 4.38Å; L161-F164 HydrophobicContact CG-CD2 4.41Å; L161-F164 HydrophobicContact CG-CG 4.27Å; L161-I169 HydrophobicContact CD1-CG1 3.97Å; L161-I172 HydrophobicContact CD1-CB 4.39Å; L161-I172 HydrophobicContact CD1-CG1 4.28Å; L161-I172 HydrophobicContact CD1-CG2 4.37Å; L161-I172 HydrophobicContact CD2-CG1 4.21Å; L161-P180 HydrophobicContact CD1-CB 4.26Å; L161-P180 HydrophobicContact CD1-CG 4.35Å; L161-P180 HydrophobicContact CG-CB 4.15Å; L161-V182 PolarHBondContact N-O 2.92Å; L161-L183 HydrophobicContact CB-CD1 4.09Å; L161-L183 CarbonylContact O-C 3.53Å; L161-L183 WeakPolarHBondContact O-CA 3.32Å; L161-Q184 PolarHBondContact O-N 2.96Å
162S98.9Very high98.8Very high1 Ų130.5 Ų30.51%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-128.4133172.4176.70000109.6M112 H113 F164 Q184M112-S162 VanDerWaalsContact O-CB 3.28Å; M112-S162 WeakPolarHBondContact O-CB 3.48Å; M112-S162 PolarHBondContact O-N 2.91Å; H113-S162 CarbonylContact C-O 3.56Å; H113-S162 CarbonylContact O-C 3.45Å; H113-S162 VanDerWaalsContact O-CB 3.29Å; H113-S162 WeakPolarHBondContact O-CB 3.34Å; H113-S162 PolarHBondContact O-OG 3.16Å; S162-F164 VanDerWaalsContact C-N 3.28Å; S162-F164 VanDerWaalsContact O-CD2 3.24Å; S162-F164 WeakPolarHBondContact O-CD2 3.45Å; S162-F164 PolarHBondContact O-N 3.04Å; S162-Q184 VanDerWaalsContact CA-O 3.27Å; S162-Q184 WeakPolarHBondContact CA-O 3.27Å; S162-Q184 PolarHBondContact OG-O 2.96Å
163N98.9Very high98.9Very high3 Ų327.4 Ų27.42%0.01613%0.132CC..SBendtrans59.732.2-176.7-52.9-63.7000114.5H113 W114 P115 Q184 Y210 P320 F321H113-N163 PolarHBondContact O-ND2 3.25Å; W114-N163 HydrophobicContact CD2-CB 3.95Å; W114-N163 HydrophobicContact CE3-CB 3.44Å; W114-N163 VanDerWaalsContact CE3-CB 3.44Å; W114-N163 HydrophobicContact CH2-CB 4.17Å; W114-N163 HydrophobicContact CZ3-CB 3.58Å; P115-N163 WeakPolarHBondContact CD-O 3.5Å; N163-Q184 PolarHBondContact N-O 2.67Å; N163-Y210 VanDerWaalsContact OD1-CE1 3.24Å; N163-Y210 WeakPolarHBondContact OD1-CE1 3.23Å; N163-Y210 PolarHBondContact OD1-OH 2.77Å; N163-P320 HydrophobicContact CB-CG 4.42Å; N163-P320 WeakPolarHBondContact O-CB 3.31Å; N163-P320 WeakPolarHBondContact O-CG 3.47Å; N163-F321 HydrophobicContact CB-CE1 4.36Å; N163-F321 HydrophobicContact CB-CZ 4.1Å
164F98.9Very high98.9Very high2 Ų226 Ų261%0.00914%0.136CC..  trans-93.3142172.1-80.4-120.4000109.9M112 P115 Y140 L161 S162 Q168 I169 I172 L183M112-F164 HydrophobicContact CB-CE2 4.22Å; M112-F164 HydrophobicContact CB-CZ 4.45Å; M112-F164 HydrophobicContact CE-CZ 4.49Å; M112-F164 HydrophobicContact CG-CE2 4.38Å; M112-F164 HydrophobicContact CG-CZ 4.41Å; M112-F164 HydrophobicContact SD-CE2 4.19Å; M112-F164 HydrophobicContact SD-CZ 3.65Å; P115-F164 HydrophobicContact CB-CD1 4.17Å; P115-F164 HydrophobicContact CB-CD2 4.1Å; P115-F164 HydrophobicContact CB-CE1 3.81Å; P115-F164 HydrophobicContact CB-CE2 3.76Å; P115-F164 HydrophobicContact CB-CG 4.28Å; P115-F164 HydrophobicContact CB-CZ 3.59Å; P115-F164 HydrophobicContact CG-CE2 4.49Å; Y140-F164 HydrophobicContact CD1-CE1 4.45Å; Y140-F164 AromaticContact CD2-CE1 3.96Å; Y140-F164 HydrophobicContact CD2-CE1 3.96Å; Y140-F164 HydrophobicContact CE2-CE1 4.48Å; Y140-F164 AromaticContact CG-CE1 3.92Å; Y140-F164 HydrophobicContact CG-CE1 3.92Å; Y140-F164 HydrophobicContact CG-CZ 4.3Å; L161-F164 HydrophobicContact CB-CB 4.1Å; L161-F164 HydrophobicContact CB-CD1 4.44Å; L161-F164 HydrophobicContact CB-CD2 3.74Å; L161-F164 HydrophobicContact CB-CE2 4.29Å; L161-F164 HydrophobicContact CB-CG 3.84Å; L161-F164 HydrophobicContact CD1-CB 4.29Å; L161-F164 HydrophobicContact CD1-CD1 3.95Å; L161-F164 HydrophobicContact CD1-CG 4.08Å; L161-F164 HydrophobicContact CD2-CD1 4.08Å; L161-F164 HydrophobicContact CD2-CD2 4.2Å; L161-F164 HydrophobicContact CD2-CE1 3.9Å; L161-F164 HydrophobicContact CD2-CE2 4.01Å; L161-F164 HydrophobicContact CD2-CG 4.25Å; L161-F164 HydrophobicContact CD2-CZ 3.87Å; L161-F164 HydrophobicContact CG-CD1 4.38Å; L161-F164 HydrophobicContact CG-CD2 4.41Å; L161-F164 HydrophobicContact CG-CG 4.27Å; S162-F164 VanDerWaalsContact C-N 3.28Å; S162-F164 VanDerWaalsContact O-CD2 3.24Å; S162-F164 WeakPolarHBondContact O-CD2 3.45Å; S162-F164 PolarHBondContact O-N 3.04Å; F164-Q168 HydrophobicContact CB-CB 4.36Å; F164-Q168 HydrophobicContact CD1-CB 3.61Å; F164-Q168 HydrophobicContact CE1-CB 4.34Å; F164-Q168 HydrophobicContact CG-CB 4.36Å; F164-I169 HydrophobicContact CB-CG1 3.97Å; F164-I172 HydrophobicContact CD1-CG1 4.45Å; F164-I172 HydrophobicContact CE1-CG1 4.05Å; F164-L183 HydrophobicContact CB-CD1 4.09Å
165N98.9Very high98.9Very high3 Ų326.9 Ų26.92%0.01614%0.135CC..  trans-88.7171.6169.874.726.3000111.8R167 Q168 I169 P320 D323 Y325N165-R167 VanDerWaalsContact C-N 3.34Å; N165-R167 PolarHBondContact O-N 2.98Å; N165-R167 PolarHBondContact OD1-N 3.32Å; N165-Q168 PolarHBondContact O-N 2.92Å; N165-Q168 VanDerWaalsContact O-N 3.16Å; N165-Q168 VanDerWaalsContact OD1-CG 3.27Å; N165-Q168 WeakPolarHBondContact OD1-CG 3.48Å; N165-Q168 PolarHBondContact OD1-N 3.15Å; N165-I169 VanDerWaalsContact O-CG1 3.29Å; N165-I169 WeakPolarHBondContact O-CG1 3.29Å; N165-I169 PolarHBondContact O-N 3.08Å; N165-P320 HydrophobicContact CB-CB 4.44Å; N165-P320 WeakPolarHBondContact CB-O 2.96Å; N165-P320 PolarHBondContact ND2-O 3.44Å; N165-D323 PolarHBondContact ND2-OD2 2.93Å; N165-Y325 WeakPolarHBondContact CA-OXT 3.11Å; N165-Y325 WeakPolarHBondContact CB-OXT 3.24Å
166S98.8Very high98.9Very high17 Ų1727.2 Ų27.212%0.11914%0.141CC..Hα-helixtrans-56.6-43.9-174.770.70000113.4Q168 I169 D170 H199 Y325S166-Q168 PolarHBondContact O-N 3.05Å; S166-I169 WeakPolarHBondContact O-CB 3.37Å; S166-I169 PolarHBondContact O-N 3.25Å; S166-D170 PolarHBondContact O-N 3.06Å; S166-H199 PolarHBondContact O-NE2 2.93Å; S166-Y325 VanDerWaalsContact CB-O 3.27Å; S166-Y325 WeakPolarHBondContact CB-O 3.47Å; S166-Y325 PolarHBondContact N-O 3.27Å; S166-Y325 PolarHBondContact N-OXT 3.23Å; S166-Y325 PolarHBondContact OG-O 3.24Å
167R98.9Very high98.9Very high115 Ų11532.1 Ų32.143%0.43418%0.175SC..Hα-helixtrans-63.6-42.2177.8-178.5-176.760.880.9-2.6112N165 D170 D171 D323N165-R167 VanDerWaalsContact C-N 3.34Å; N165-R167 PolarHBondContact O-N 2.98Å; N165-R167 PolarHBondContact OD1-N 3.32Å; R167-D170 PolarHBondContact O-N 2.98Å; R167-D171 PolarHBondContact O-N 2.73Å; R167-D323 IonicContact CZ-OD2 3.68Å; R167-D323 IonicContact NE-OD2 2.71Å; R167-D323 PolarHBondContact NE-OD2 2.97Å; R167-D323 VanDerWaalsContact NE-OD2 3.09Å; R167-D323 IonicContact NH2-OD2 3.34Å
168Q98.9Very high98.9Very high0 Ų027.9 Ų27.90%016%0.164CC..Hα-helixtrans-69.7-34.5178.5-65.7168.2-30.700111.8Y140 F164 N165 S166 D171 I172 L318Y140-Q168 HydrophobicContact CE1-CG 4.2Å; F164-Q168 HydrophobicContact CB-CB 4.36Å; F164-Q168 HydrophobicContact CD1-CB 3.61Å; F164-Q168 HydrophobicContact CE1-CB 4.34Å; F164-Q168 HydrophobicContact CG-CB 4.36Å; N165-Q168 PolarHBondContact O-N 2.92Å; N165-Q168 VanDerWaalsContact O-N 3.16Å; N165-Q168 VanDerWaalsContact OD1-CG 3.27Å; N165-Q168 WeakPolarHBondContact OD1-CG 3.48Å; N165-Q168 PolarHBondContact OD1-N 3.15Å; S166-Q168 PolarHBondContact O-N 3.05Å; Q168-D171 PolarHBondContact O-N 3.48Å; Q168-I172 WeakPolarHBondContact O-CG1 3.12Å; Q168-I172 PolarHBondContact O-N 2.82Å; Q168-L318 PolarHBondContact NE2-O 3.02Å
169I98.9Very high98.9Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-61.4-48.2171.8-66.6164000109.9L161 F164 N165 S166 D171 I172 L173 L183 L196 L205L161-I169 HydrophobicContact CD1-CG1 3.97Å; F164-I169 HydrophobicContact CB-CG1 3.97Å; N165-I169 VanDerWaalsContact O-CG1 3.29Å; N165-I169 WeakPolarHBondContact O-CG1 3.29Å; N165-I169 PolarHBondContact O-N 3.08Å; S166-I169 WeakPolarHBondContact O-CB 3.37Å; S166-I169 PolarHBondContact O-N 3.25Å; I169-D171 VanDerWaalsContact C-N 3.31Å; I169-D171 PolarHBondContact O-N 3.32Å; I169-I172 PolarHBondContact O-N 2.98Å; I169-L173 HydrophobicContact CG2-CD1 3.95Å; I169-L173 HydrophobicContact CG2-CG 4.4Å; I169-L173 VanDerWaalsContact O-CG 3.3Å; I169-L173 WeakPolarHBondContact O-CG 3.14Å; I169-L173 PolarHBondContact O-N 3.1Å; I169-L183 HydrophobicContact CD1-CD1 4.15Å; I169-L183 HydrophobicContact CD1-CD2 3.8Å; I169-L183 HydrophobicContact CD1-CG 4.46Å; I169-L196 HydrophobicContact CD1-CD1 3.84Å; I169-L205 HydrophobicContact CG2-CD2 4.15Å
170D98.9Very high98.9Very high63 Ų6332.7 Ų32.734%0.33718%0.182SC..Hα-helixtrans-59.9-40.1176.1-84.7-23.5000112.8S166 R167 L173 S174 H199 R203S166-D170 PolarHBondContact O-N 3.06Å; R167-D170 PolarHBondContact O-N 2.98Å; D170-L173 PolarHBondContact O-N 2.98Å; D170-S174 PolarHBondContact O-N 2.85Å; D170-H199 IonicContact OD1-CE1 2.9Å; D170-H199 IonicContact OD1-NE2 2.88Å; D170-H199 IonicContact OD2-CE1 2.73Å; D170-H199 PolarHBondContact OD2-CE1 2.82Å; D170-H199 IonicContact OD2-NE2 3.32Å; D170-R203 IonicContact OD1-CZ 2.64Å; D170-R203 IonicContact OD1-NE 2.73Å; D170-R203 PolarHBondContact OD1-NE 3.47Å; D170-R203 IonicContact OD1-NH2 3.65Å; D170-R203 PolarHBondContact OD1-NH2 3.38Å; D170-R203 IonicContact OD2-CZ 3.76Å; D170-R203 IonicContact OD2-NE 2.8Å; D170-R203 IonicContact OD2-NH2 3.32Å; D170-R203 PolarHBondContact OD2-NH2 2.8Å
171D98.9Very high98.9Very high36 Ų3632.8 Ų32.819%0.19318%0.182CC..Hα-helixtrans-65.6-40177.8-16639.7000112H139 Y140 K141 R167 Q168 I169 S174H139-D171 IonicContact CE1-OD2 3.16Å; H139-D171 PolarHBondContact CE1-OD2 3.01Å; Y140-D171 HydrophobicContact CE2-CB 4.07Å; Y140-D171 WeakPolarHBondContact CE2-OD2 3.45Å; Y140-D171 PolarHBondContact OH-OD2 3.38Å; K141-D171 VanDerWaalsContact CD-OD2 3.27Å; K141-D171 WeakPolarHBondContact CD-OD2 3.34Å; K141-D171 WeakPolarHBondContact CE-OD2 3.36Å; K141-D171 VanDerWaalsContact NZ-CG 3.26Å; K141-D171 IonicContact NZ-OD1 3.2Å; K141-D171 PolarHBondContact NZ-OD1 2.9Å; K141-D171 IonicContact NZ-OD2 3.65Å; K141-D171 PolarHBondContact NZ-OD2 2.9Å; R167-D171 PolarHBondContact O-N 2.73Å; Q168-D171 PolarHBondContact O-N 3.48Å; I169-D171 VanDerWaalsContact C-N 3.31Å; I169-D171 PolarHBondContact O-N 3.32Å; D171-S174 PolarHBondContact O-N 2.88Å; D171-S174 PolarHBondContact O-OG 2.88Å
172I98.9Very high98.9Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-61.3-48.6170.5-72.9-67.7000110.9Y140 K141 W144 L161 F164 Q168 I169 S174 V175 A176 P180Y140-I172 HydrophobicContact CD2-CD1 3.56Å; Y140-I172 HydrophobicContact CD2-CG1 3.9Å; Y140-I172 HydrophobicContact CE2-CD1 4.19Å; Y140-I172 HydrophobicContact CE2-CG1 4.13Å; K141-I172 HydrophobicContact CG-CD1 4.37Å; W144-I172 HydrophobicContact CB-CD1 3.61Å; W144-I172 HydrophobicContact CD2-CD1 4.1Å; W144-I172 HydrophobicContact CD2-CG2 3.79Å; W144-I172 HydrophobicContact CE3-CD1 4.29Å; W144-I172 HydrophobicContact CE3-CG2 4.24Å; W144-I172 HydrophobicContact CG-CD1 3.8Å; W144-I172 HydrophobicContact CG-CG2 4.11Å; W144-I172 HydrophobicContact CZ2-CG2 4.23Å; L161-I172 HydrophobicContact CD1-CB 4.39Å; L161-I172 HydrophobicContact CD1-CG1 4.28Å; L161-I172 HydrophobicContact CD1-CG2 4.37Å; L161-I172 HydrophobicContact CD2-CG1 4.21Å; F164-I172 HydrophobicContact CD1-CG1 4.45Å; F164-I172 HydrophobicContact CE1-CG1 4.05Å; Q168-I172 WeakPolarHBondContact O-CG1 3.12Å; Q168-I172 PolarHBondContact O-N 2.82Å; I169-I172 PolarHBondContact O-N 2.98Å; I172-S174 PolarHBondContact O-N 2.79Å; I172-V175 WeakPolarHBondContact O-CG2 3.48Å; I172-V175 PolarHBondContact O-N 3.13Å; I172-A176 HydrophobicContact CG2-CB 4.48Å; I172-A176 WeakPolarHBondContact O-CB 3.28Å; I172-A176 PolarHBondContact O-N 3.37Å; I172-P180 HydrophobicContact CG2-CG 4.11Å
173L98.9Very high98.9Very high32 Ų3232.7 Ų32.717%0.16818%0.182CC..Hα-helixtrans-61.2-29.3-178.5-72.4174.5000112.9I169 D170 V175 R179 P180 R203I169-L173 HydrophobicContact CG2-CD1 3.95Å; I169-L173 HydrophobicContact CG2-CG 4.4Å; I169-L173 VanDerWaalsContact O-CG 3.3Å; I169-L173 WeakPolarHBondContact O-CG 3.14Å; I169-L173 PolarHBondContact O-N 3.1Å; D170-L173 PolarHBondContact O-N 2.98Å; L173-V175 PolarHBondContact O-N 3.31Å; L173-R179 HydrophobicContact CD2-CG 3.7Å; L173-P180 HydrophobicContact CD2-CG 3.85Å; L173-P180 HydrophobicContact CG-CG 4.5Å; L173-R203 HydrophobicContact CD1-CB 3.99Å; L173-R203 VanDerWaalsContact CD1-CD 3.48Å; L173-R203 HydrophobicContact CD1-CG 3.72Å
174S98.8Very high98.9Very high84 Ų8432.7 Ų32.759%0.58718%0.181SC*.Hα-helixtrans-64.3-24176.980.30000113.7D170 D171 I172D170-S174 PolarHBondContact O-N 2.85Å; D171-S174 PolarHBondContact O-N 2.88Å; D171-S174 PolarHBondContact O-OG 2.88Å; I172-S174 PolarHBondContact O-N 2.79Å
175V98.8Very high98.9Very high51 Ų5132.7 Ų32.731%0.30918%0.182SC..Hα-helixtrans-116.9-10.4-178.5-60.80000113.6K141 K145 I172 L173 S177K141-V175 HydrophobicContact CB-CG2 4.23Å; K141-V175 HydrophobicContact CD-CG1 3.95Å; K141-V175 HydrophobicContact CD-CG2 3.87Å; K141-V175 HydrophobicContact CG-CG2 3.9Å; K145-V175 WeakPolarHBondContact CE-O 3.41Å; K145-V175 PolarHBondContact NZ-O 3.28Å; I172-V175 WeakPolarHBondContact O-CG2 3.48Å; I172-V175 PolarHBondContact O-N 3.13Å; L173-V175 PolarHBondContact O-N 3.31Å; V175-S177 PolarHBondContact O-N 3.43Å
176A98.7Very high98.9Very high29 Ų2932.5 Ų32.524%0.2418%0.181CC..  trans-68.7122.3-170.900000113.1E148 I172E148-A176 WeakPolarHBondContact OE1-CA 3.27Å; I172-A176 HydrophobicContact CG2-CB 4.48Å; I172-A176 WeakPolarHBondContact O-CB 3.28Å; I172-A176 PolarHBondContact O-N 3.37Å
177S98.8Very high98.9Very high104 Ų10431.7 Ų31.773%0.72718%0.175SC*.SBendtrans-86.4-35.9164.4-58.20000111.2K145 E148 V175K145-S177 PolarHBondContact NZ-OG 2.84Å; E148-S177 WeakPolarHBondContact OE1-CA 3.43Å; E148-S177 PolarHBondContact OE1-N 3.47Å; V175-S177 PolarHBondContact O-N 3.43Å
178V98.8Very high98.9Very high43 Ų4326.2 Ų26.226%0.26115%0.154SC..SBendtrans-105.6115.9166.7-177.50000107.1W144 E148 V151 L159W144-V178 VanDerWaalsContact CZ2-O 3.25Å; W144-V178 WeakPolarHBondContact CZ2-O 3.45Å; W144-V178 PolarHBondContact NE1-O 3.02Å; E148-V178 HydrophobicContact CB-CG2 4.16Å; E148-V178 HydrophobicContact CG-CB 4.01Å; E148-V178 HydrophobicContact CG-CG2 4.13Å; E148-V178 PolarHBondContact OE1-N 2.94Å; V151-V178 HydrophobicContact CG2-CG1 4.36Å; L159-V178 HydrophobicContact CD1-CB 4.44Å; L159-V178 HydrophobicContact CD1-CG1 4.31Å
179R98.8Very high98.9Very high104 Ų10426.2 Ų26.239%0.39215%0.154SC..  trans-70.2135.7-176.5-165.5-178.1-175.985.92.8110.9H9 L173 A181 R203H9-R179 PolarHBondContact CE1-O 3.38Å; H9-R179 VanDerWaalsContact CE1-O 3.26Å; H9-R179 PolarHBondContact NE2-O 3.24Å; H9-R179 VanDerWaalsContact NE2-O 3.16Å; L173-R179 HydrophobicContact CD2-CG 3.7Å; R179-A181 PolarHBondContact O-N 3.49Å; R179-R203 PolarHBondContact NE-O 3.16Å; R179-R203 VanDerWaalsContact NH2-CA 3.3Å; R179-R203 VanDerWaalsContact NH2-CB 3.31Å; R179-R203 PolarHBondContact NH2-O 2.83Å
180P98.9Very high98.8Very high0 Ų026.4 Ų26.40%016%0.155CC..  trans-56.7135.2169.223.3-32.3000110.1H9 W144 L159 L161 I172 L173 L205H9-P180 PolarHBondContact NE2-O 2.88Å; W144-P180 HydrophobicContact CH2-CB 3.57Å; W144-P180 HydrophobicContact CH2-CG 4.31Å; W144-P180 HydrophobicContact CZ2-CB 3.94Å; W144-P180 HydrophobicContact CZ2-CG 4.25Å; W144-P180 HydrophobicContact CZ3-CB 4.43Å; L159-P180 WeakPolarHBondContact O-CA 3.45Å; L161-P180 HydrophobicContact CD1-CB 4.26Å; L161-P180 HydrophobicContact CD1-CG 4.35Å; L161-P180 HydrophobicContact CG-CB 4.15Å; I172-P180 HydrophobicContact CG2-CG 4.11Å; L173-P180 HydrophobicContact CD2-CG 3.85Å; L173-P180 HydrophobicContact CG-CG 4.5Å; P180-L205 HydrophobicContact CB-CD2 4.06Å; P180-L205 HydrophobicContact CB-CG 4.44Å; P180-L205 HydrophobicContact CG-CD1 4.29Å; P180-L205 HydrophobicContact CG-CD2 4.05Å; P180-L205 HydrophobicContact CG-CG 4.41Å; P180-L205 WeakPolarHBondContact O-CG 3.44Å
181A98.9Very high98.8Very high1 Ų123.9 Ų23.91%0.00814%0.141CC..  trans-97.4-29.1-17900000113.1L8 H9 A158 L159 R179 E206L8-A181 HydrophobicContact CD1-CB 4.26Å; H9-A181 WeakPolarHBondContact NE2-CA 3.38Å; H9-A181 WeakPolarHBondContact NE2-CB 3.38Å; H9-A181 PolarHBondContact NE2-N 3.14Å; A158-A181 HydrophobicContact CB-CB 4.04Å; L159-A181 PolarHBondContact O-N 2.9Å; R179-A181 PolarHBondContact O-N 3.49Å; A181-E206 PolarHBondContact O-N 2.71Å
182V98.9Very high98.8Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-136.6138.6-173.6178.20000110.4L8 M14 L109 G160 L161 E206 T208L8-V182 HydrophobicContact CD1-CG2 4.18Å; L8-V182 HydrophobicContact CD2-CG2 3.81Å; M14-V182 HydrophobicContact SD-CG2 3.81Å; L109-V182 HydrophobicContact CD1-CB 4.32Å; L109-V182 HydrophobicContact CD1-CG2 4.29Å; L109-V182 HydrophobicContact CD2-CB 3.92Å; L109-V182 HydrophobicContact CD2-CG1 4.16Å; L109-V182 HydrophobicContact CD2-CG2 3.82Å; G160-V182 CarbonylContact C-O 3.47Å; G160-V182 VanDerWaalsContact CA-O 3.25Å; G160-V182 WeakPolarHBondContact CA-O 3.46Å; L161-V182 PolarHBondContact N-O 2.92Å; V182-E206 CarbonylContact C-O 3.48Å; V182-E206 VanDerWaalsContact CA-O 3.28Å; V182-E206 WeakPolarHBondContact CA-O 3.12Å; V182-T208 WeakPolarHBondContact CG1-OG1 3.44Å
183L98.9Very high98.8Very high0 Ų023 Ų230%014%0.136CC..EExtended strand (participates in β ladder)trans-104126.1159176.869.3000109.4L161 F164 I169 V185 L196 C200 L205 E206 V207 T208L161-L183 HydrophobicContact CB-CD1 4.09Å; L161-L183 CarbonylContact O-C 3.53Å; L161-L183 WeakPolarHBondContact O-CA 3.32Å; F164-L183 HydrophobicContact CB-CD1 4.09Å; I169-L183 HydrophobicContact CD1-CD1 4.15Å; I169-L183 HydrophobicContact CD1-CD2 3.8Å; I169-L183 HydrophobicContact CD1-CG 4.46Å; L183-V185 HydrophobicContact CD1-CG1 3.91Å; L183-V185 HydrophobicContact CD2-CG1 3.89Å; L183-V185 HydrophobicContact CD2-CG2 4.25Å; L183-V185 HydrophobicContact CG-CG1 3.8Å; L183-V185 HydrophobicContact CG-CG2 4.44Å; L183-L196 HydrophobicContact CD2-CD1 4Å; L183-L196 HydrophobicContact CD2-CD2 3.83Å; L183-L196 HydrophobicContact CD2-CG 3.73Å; L183-C200 WeakPolarHBondContact CD2-SG 3.44Å; L183-L205 HydrophobicContact CB-CD2 4.47Å; L183-E206 PolarHBondContact N-O 3.47Å; L183-V207 CarbonylContact O-C 3.59Å; L183-V207 WeakPolarHBondContact O-CA 3.28Å; L183-T208 PolarHBondContact O-N 3.12Å
184Q98.9Very high98.8Very high2 Ų224.4 Ų24.41%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-106118.2171.5-165.1179.7114.300110.8D45 L111 L161 S162 N163 T208 Y210 I261D45-Q184 PolarHBondContact OD2-NE2 2.89Å; L111-Q184 HydrophobicContact CD1-CB 3.74Å; L111-Q184 HydrophobicContact CD1-CG 4.47Å; L161-Q184 PolarHBondContact O-N 2.96Å; S162-Q184 VanDerWaalsContact CA-O 3.27Å; S162-Q184 WeakPolarHBondContact CA-O 3.27Å; S162-Q184 PolarHBondContact OG-O 2.96Å; N163-Q184 PolarHBondContact N-O 2.67Å; Q184-T208 VanDerWaalsContact CA-O 3.31Å; Q184-T208 WeakPolarHBondContact CA-O 3.45Å; Q184-T208 HydrophobicContact CG-CG2 3.89Å; Q184-Y210 HydrophobicContact CG-CD1 4.2Å; Q184-I261 HydrophobicContact CG-CD1 4.34Å
185V98.9Very high98.8Very high2 Ų224.9 Ų24.91%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-143161.9-177.3-73.20000111.9L183 C187 Q193 L196 V207 T208 A209 Y210L183-V185 HydrophobicContact CD1-CG1 3.91Å; L183-V185 HydrophobicContact CD2-CG1 3.89Å; L183-V185 HydrophobicContact CD2-CG2 4.25Å; L183-V185 HydrophobicContact CG-CG1 3.8Å; L183-V185 HydrophobicContact CG-CG2 4.44Å; V185-C187 PolarHBondContact O-N 3.29Å; V185-Q193 HydrophobicContact CG2-CG 4.34Å; V185-L196 HydrophobicContact CG1-CD2 4.24Å; V185-L196 HydrophobicContact CG2-CD2 4.48Å; V185-V207 HydrophobicContact CG2-CG1 4.13Å; V185-T208 PolarHBondContact N-O 3.41Å; V185-A209 WeakPolarHBondContact O-CA 3.4Å; V185-Y210 VanDerWaalsContact CA-CE1 3.43Å; V185-Y210 PolarHBondContact O-N 3.41Å
186E98.8Very high98.8Very high0 Ų022.8 Ų22.80%012%0.124CC..EExtended strand (participates in β ladder)trans-61123.5169.6-169.5167.9170.500108.9H188 L191 Q193 Y210 R297 Y298 I299E186-H188 IonicContact OE1-CE1 3.35Å; E186-H188 IonicContact OE1-NE2 3.95Å; E186-H188 PolarHBondContact OE1-NE2 3.3Å; E186-L191 HydrophobicContact CB-CD2 3.91Å; E186-L191 HydrophobicContact CG-CD2 3.92Å; E186-Q193 VanDerWaalsContact O-CG 3.23Å; E186-Q193 WeakPolarHBondContact O-CG 3.34Å; E186-Q193 PolarHBondContact O-NE2 2.9Å; E186-Y210 VanDerWaalsContact CA-CE2 3.45Å; E186-Y210 HydrophobicContact CB-CD2 4.11Å; E186-Y210 HydrophobicContact CB-CE1 4.34Å; E186-Y210 HydrophobicContact CB-CE2 3.35Å; E186-Y210 VanDerWaalsContact CB-CZ 3.48Å; E186-Y210 WeakPolarHBondContact CB-OH 3.02Å; E186-Y210 HydrophobicContact CG-CD2 4.47Å; E186-Y210 HydrophobicContact CG-CE2 3.89Å; E186-Y210 PolarHBondContact N-OH 2.91Å; E186-R297 WeakPolarHBondContact OE2-CG 3.43Å; E186-Y298 WeakPolarHBondContact OE1-CA 3.36Å; E186-Y298 VanDerWaalsContact OE1-CB 3.28Å; E186-Y298 WeakPolarHBondContact OE1-CB 3.43Å; E186-Y298 PolarHBondContact OE1-N 2.91Å; E186-I299 PolarHBondContact OE1-N 3.16Å; E186-I299 WeakPolarHBondContact OE2-CA 3.35Å; E186-I299 VanDerWaalsContact OE2-CB 3.27Å; E186-I299 WeakPolarHBondContact OE2-CB 3.49Å; E186-I299 PolarHBondContact OE2-N 2.9Å
187C98.8Very high98.8Very high0 Ų021.9 Ų21.90%012%0.115CC..  trans-152.6126.5178.2-173.50000111.2V185 L191 A192 Q193 A209 Y210 Q253V185-C187 PolarHBondContact O-N 3.29Å; C187-L191 WeakPolarHBondContact CA-O 3.37Å; C187-A192 PolarHBondContact SG-O 2.88Å; C187-A192 VanDerWaalsContact SG-O 3.41Å; C187-Q193 HydrophobicContact CB-CG 3.95Å; C187-A209 HydrophobicContact CB-CB 3.7Å; C187-Y210 PolarHBondContact N-O 3.28Å; C187-Q253 PolarHBondContact O-NE2 2.88Å; C187-Q253 PolarHBondContact SG-NE2 3.31Å
188H98.8Very high98.8Very high0 Ų019.4 Ų19.40%010%0.101CC..BIsolated β-bridgetrans-166.5171.9178.24964.7000108.5E186 Y190 L191 A192 S211 L228 W296 Y298E186-H188 IonicContact OE1-CE1 3.35Å; E186-H188 IonicContact OE1-NE2 3.95Å; E186-H188 PolarHBondContact OE1-NE2 3.3Å; H188-Y190 PolarHBondContact O-N 3.42Å; H188-L191 PolarHBondContact N-O 3.15Å; H188-L191 PolarHBondContact ND1-N 3.36Å; H188-L191 CarbonylContact O-C 3.43Å; H188-L191 WeakPolarHBondContact O-CA 3.09Å; H188-L191 PolarHBondContact O-N 3.33Å; H188-A192 PolarHBondContact O-N 2.71Å; H188-S211 PolarHBondContact CD2-O 3.03Å; H188-L228 HydrophobicContact CB-CD2 3.61Å; H188-W296 PolarHBondContact CE1-O 2.99Å; H188-Y298 AromaticContact CE1-CD2 3.64Å; H188-Y298 AromaticContact CE1-CE2 3.58Å; H188-Y298 AromaticContact NE2-CD2 3.3Å; H188-Y298 VanDerWaalsContact NE2-CD2 3.3Å; H188-Y298 WeakPolarHBondContact NE2-CD2 3.45Å; H188-Y298 AromaticContact NE2-CE2 3.65Å
189P98.8Very high98.8Very high0 Ų018.4 Ų18.40%09%0.093CC..THydrogen-bonded Turntrans-52.4-33.7-173.6-31.937.4000116.1L228 L249 W252 L292 N293P189-L228 HydrophobicContact CB-CD1 4.12Å; P189-L228 HydrophobicContact CG-CD1 4.26Å; P189-L249 HydrophobicContact CG-CD2 3.77Å; P189-W252 HydrophobicContact CG-CD2 4.12Å; P189-W252 HydrophobicContact CG-CE3 3.8Å; P189-W252 HydrophobicContact CG-CH2 4.37Å; P189-W252 HydrophobicContact CG-CZ3 3.94Å; P189-L292 HydrophobicContact CB-CB 3.87Å; P189-L292 HydrophobicContact CB-CD1 3.7Å; P189-L292 HydrophobicContact CB-CG 4.41Å; P189-L292 CarbonylContact O-C 3.59Å; P189-N293 WeakPolarHBondContact O-CA 3.25Å; P189-N293 PolarHBondContact O-N 3.41Å; P189-N293 VanDerWaalsContact O-N 3.13Å
190Y98.6Very high98.8Very high3 Ų313.4 Ų13.41%0.0127%0.074CC..THydrogen-bonded Turntrans-74.2-19.7174.9-61.2-22.9000116.4H188 P226 L228 E231 L292 N293 K294 N295 W296 Y298H188-Y190 PolarHBondContact O-N 3.42Å; Y190-P226 HydrophobicContact CE2-CB 4.02Å; Y190-P226 HydrophobicContact CE2-CG 3.76Å; Y190-P226 WeakPolarHBondContact OH-CB 3.47Å; Y190-L228 HydrophobicContact CD1-CD1 3.99Å; Y190-L228 HydrophobicContact CD2-CB 4.4Å; Y190-L228 HydrophobicContact CD2-CD1 4.23Å; Y190-L228 HydrophobicContact CE1-CD1 3.92Å; Y190-L228 HydrophobicContact CE2-CB 4.02Å; Y190-L228 HydrophobicContact CE2-CD1 4.14Å; Y190-L228 HydrophobicContact CG-CD1 4.14Å; Y190-E231 HydrophobicContact CE1-CG 3.66Å; Y190-E231 WeakPolarHBondContact CE1-OE1 3.44Å; Y190-E231 VanDerWaalsContact CZ-OE1 3.26Å; Y190-E231 WeakPolarHBondContact OH-CG 3.26Å; Y190-E231 PolarHBondContact OH-OE1 3.25Å; Y190-L292 HydrophobicContact CD1-CB 4.15Å; Y190-L292 WeakPolarHBondContact CD1-O 3.43Å; Y190-L292 HydrophobicContact CE1-CB 4.43Å; Y190-N293 PolarHBondContact O-OD1 3.47Å; Y190-K294 HydrophobicContact CD1-CD 4.21Å; Y190-K294 VanDerWaalsContact CD1-CE 3.4Å; Y190-K294 HydrophobicContact CD1-CG 4.28Å; Y190-K294 HydrophobicContact CE1-CD 4.5Å; Y190-K294 VanDerWaalsContact CE1-CE 3.49Å; Y190-K294 VanDerWaalsContact CE1-NZ 3.26Å; Y190-K294 HydrophobicContact CG-CD 4.43Å; Y190-K294 VanDerWaalsContact CG-CE 3.46Å; Y190-K294 HydrophobicContact CG-CG 4.29Å; Y190-K294 CarbonylContact O-C 3.42Å; Y190-K294 PolarHBondContact O-N 2.94Å; Y190-K294 PolarHBondContact OH-NZ 3.12Å; Y190-N295 PolarHBondContact O-N 3.38Å; Y190-W296 HydrophobicContact CD2-CB 4.45Å; Y190-W296 PolarHBondContact O-N 3.46Å; Y190-Y298 HydrophobicContact CD2-CE2 4.15Å; Y190-Y298 AromaticContact CD2-CZ 3.89Å; Y190-Y298 WeakPolarHBondContact CD2-OH 3.49Å; Y190-Y298 WeakPolarHBondContact CE2-OH 3.42Å
191L98.7Very high98.7Very high10 Ų1018.7 Ų18.75%0.05210%0.099CC..BIsolated β-bridgetrans-136.175.1177.6-173.769.4000106.7E186 C187 H188 Q193 W296 R297E186-L191 HydrophobicContact CB-CD2 3.91Å; E186-L191 HydrophobicContact CG-CD2 3.92Å; C187-L191 WeakPolarHBondContact CA-O 3.37Å; H188-L191 PolarHBondContact N-O 3.15Å; H188-L191 PolarHBondContact ND1-N 3.36Å; H188-L191 CarbonylContact O-C 3.43Å; H188-L191 WeakPolarHBondContact O-CA 3.09Å; H188-L191 PolarHBondContact O-N 3.33Å; L191-Q193 HydrophobicContact CG-CG 4.35Å; L191-Q193 PolarHBondContact O-N 3.43Å; L191-W296 WeakPolarHBondContact CB-O 3.12Å; L191-R297 HydrophobicContact CD2-CB 4.08Å; L191-R297 HydrophobicContact CD2-CG 4.13Å
192A98.6Very high98.7Very high0 Ų022.7 Ų22.70%013%0.132CC..  trans-72.6-17-166.100000113.5C187 H188 N194 I197 W252 R256 N293C187-A192 PolarHBondContact SG-O 2.88Å; C187-A192 VanDerWaalsContact SG-O 3.41Å; H188-A192 PolarHBondContact O-N 2.71Å; A192-N194 PolarHBondContact O-N 2.92Å; A192-I197 WeakPolarHBondContact O-CD1 3.4Å; A192-W252 HydrophobicContact CB-CH2 3.9Å; A192-W252 HydrophobicContact CB-CZ2 4.24Å; A192-R256 PolarHBondContact O-NH1 3.46Å; A192-R256 PolarHBondContact O-NH2 3.44Å; A192-N293 HydrophobicContact CB-CB 4Å; A192-N293 PolarHBondContact N-OD1 3.14Å
193Q98.7Very high98.7Very high17 Ų1725.5 Ų25.58%0.07914%0.143CC..  trans56.431.5178.7-59.1-77.317.300113.2V185 E186 C187 L191 E195 L196 I197V185-Q193 HydrophobicContact CG2-CG 4.34Å; E186-Q193 VanDerWaalsContact O-CG 3.23Å; E186-Q193 WeakPolarHBondContact O-CG 3.34Å; E186-Q193 PolarHBondContact O-NE2 2.9Å; C187-Q193 HydrophobicContact CB-CG 3.95Å; L191-Q193 HydrophobicContact CG-CG 4.35Å; L191-Q193 PolarHBondContact O-N 3.43Å; Q193-E195 VanDerWaalsContact C-N 3.31Å; Q193-E195 PolarHBondContact O-N 2.67Å; Q193-L196 HydrophobicContact CB-CB 4.49Å; Q193-L196 PolarHBondContact O-N 2.83Å; Q193-I197 HydrophobicContact CB-CD1 3.96Å; Q193-I197 HydrophobicContact CB-CG1 4.1Å; Q193-I197 VanDerWaalsContact O-CB 3.27Å; Q193-I197 WeakPolarHBondContact O-CB 3.41Å; Q193-I197 WeakPolarHBondContact O-CD1 3.35Å; Q193-I197 WeakPolarHBondContact O-CG1 3.39Å; Q193-I197 PolarHBondContact O-N 3.14Å
194N98.7Very high98.7Very high62 Ų6227.2 Ų27.233%0.33216%0.16SC..Hα-helixtrans-58.9-44.4-171.1-67.5-41.2000111.9A192 A198 R256A192-N194 PolarHBondContact O-N 2.92Å; N194-A198 WeakPolarHBondContact O-CB 3.43Å; N194-A198 PolarHBondContact O-N 3.34Å; N194-R256 PolarHBondContact OD1-NH2 3.4Å
195E98.8Very high98.7Very high95 Ų9527.2 Ų27.244%0.44416%0.16SC..Hα-helixtrans-65.9-47.3-179.5-62.472.5-161.700111Q193 A198 H199 Y325Q193-E195 VanDerWaalsContact C-N 3.31Å; Q193-E195 PolarHBondContact O-N 2.67Å; E195-A198 PolarHBondContact O-N 3.01Å; E195-H199 WeakPolarHBondContact O-CB 3.37Å; E195-H199 PolarHBondContact O-N 3.1Å; E195-Y325 HydrophobicContact CB-CD1 3.61Å; E195-Y325 HydrophobicContact CB-CD2 4.08Å; E195-Y325 HydrophobicContact CB-CE1 4.01Å; E195-Y325 HydrophobicContact CB-CE2 4.45Å; E195-Y325 HydrophobicContact CB-CG 3.65Å; E195-Y325 HydrophobicContact CG-CD1 3.95Å; E195-Y325 HydrophobicContact CG-CE1 4.1Å; E195-Y325 HydrophobicContact CG-CG 4.49Å
196L98.9Very high98.7Very high6 Ų629.4 Ų29.43%0.03117%0.17CC..Hα-helixtrans-68.8-38.1179.8-17353.5000112.2I169 L183 V185 Q193 H199 C200 Y325I169-L196 HydrophobicContact CD1-CD1 3.84Å; L183-L196 HydrophobicContact CD2-CD1 4Å; L183-L196 HydrophobicContact CD2-CD2 3.83Å; L183-L196 HydrophobicContact CD2-CG 3.73Å; V185-L196 HydrophobicContact CG1-CD2 4.24Å; V185-L196 HydrophobicContact CG2-CD2 4.48Å; Q193-L196 HydrophobicContact CB-CB 4.49Å; Q193-L196 PolarHBondContact O-N 2.83Å; L196-H199 WeakPolarHBondContact O-CB 3.49Å; L196-H199 PolarHBondContact O-N 3.02Å; L196-C200 PolarHBondContact O-N 3.19Å; L196-C200 PolarHBondContact O-SG 2.98Å; L196-C200 VanDerWaalsContact O-SG 3.37Å; L196-Y325 WeakPolarHBondContact CD1-OXT 3.43Å
197I98.9Very high98.7Very high10 Ų1029.6 Ų29.65%0.05117%0.172CC..Hα-helixtrans-62.6-48173.7-70.8163.7000110.3A192 Q193 H199 C200 Q201 V207 V258A192-I197 WeakPolarHBondContact O-CD1 3.4Å; Q193-I197 HydrophobicContact CB-CD1 3.96Å; Q193-I197 HydrophobicContact CB-CG1 4.1Å; Q193-I197 VanDerWaalsContact O-CB 3.27Å; Q193-I197 WeakPolarHBondContact O-CB 3.41Å; Q193-I197 WeakPolarHBondContact O-CD1 3.35Å; Q193-I197 WeakPolarHBondContact O-CG1 3.39Å; Q193-I197 PolarHBondContact O-N 3.14Å; I197-H199 VanDerWaalsContact C-N 3.28Å; I197-H199 PolarHBondContact O-N 3.24Å; I197-C200 WeakPolarHBondContact O-CB 3.48Å; I197-C200 PolarHBondContact O-N 3.1Å; I197-Q201 HydrophobicContact CG2-CG 4.39Å; I197-Q201 WeakPolarHBondContact O-CG 3.42Å; I197-Q201 PolarHBondContact O-N 3.31Å; I197-V207 HydrophobicContact CG1-CB 4.31Å; I197-V207 HydrophobicContact CG1-CG1 4.11Å; I197-V207 HydrophobicContact CG1-CG2 4.11Å; I197-V258 HydrophobicContact CD1-CG2 3.91Å
198A98.8Very high98.7Very high52 Ų5229.6 Ų29.643%0.4317%0.172SC..Hα-helixtrans-60.9-39.9177.200000111.5N194 E195 Q201 A202N194-A198 WeakPolarHBondContact O-CB 3.43Å; N194-A198 PolarHBondContact O-N 3.34Å; E195-A198 PolarHBondContact O-N 3.01Å; A198-Q201 PolarHBondContact O-N 3.07Å; A198-A202 WeakPolarHBondContact O-CB 3.31Å; A198-A202 PolarHBondContact O-N 3Å
199H98.9Very high98.7Very high22 Ų2229.6 Ų29.610%0.10217%0.172CC..Hα-helixtrans-60.5-44.9175-179.2102.1000112.3S166 D170 E195 L196 I197 R203S166-H199 PolarHBondContact O-NE2 2.93Å; D170-H199 IonicContact OD1-CE1 2.9Å; D170-H199 IonicContact OD1-NE2 2.88Å; D170-H199 IonicContact OD2-CE1 2.73Å; D170-H199 PolarHBondContact OD2-CE1 2.82Å; D170-H199 IonicContact OD2-NE2 3.32Å; E195-H199 WeakPolarHBondContact O-CB 3.37Å; E195-H199 PolarHBondContact O-N 3.1Å; L196-H199 WeakPolarHBondContact O-CB 3.49Å; L196-H199 PolarHBondContact O-N 3.02Å; I197-H199 VanDerWaalsContact C-N 3.28Å; I197-H199 PolarHBondContact O-N 3.24Å; H199-R203 PolarHBondContact CE1-NE 3.01Å; H199-R203 PolarHBondContact CE1-NH1 3.31Å; H199-R203 VanDerWaalsContact CE1-NH1 3.32Å; H199-R203 PolarHBondContact CE1-NH2 2.88Å; H199-R203 PolarHBondContact ND1-NH1 3.35Å; H199-R203 WeakPolarHBondContact NE2-CD 3.36Å; H199-R203 PolarHBondContact NE2-NE 3.24Å; H199-R203 VanDerWaalsContact NE2-NE 3.12Å; H199-R203 WeakPolarHBondContact O-CD 3.4Å; H199-R203 PolarHBondContact O-N 3.26Å; H199-R203 PolarHBondContact O-NH1 3.5Å
200C98.9Very high98.7Very high0 Ų030.9 Ų30.90%018%0.177CC..Hα-helixtrans-62.7-45.7174.9-74.60000112.5L183 L196 I197 A202 R203 G204 L205 V207L183-C200 WeakPolarHBondContact CD2-SG 3.44Å; L196-C200 PolarHBondContact O-N 3.19Å; L196-C200 PolarHBondContact O-SG 2.98Å; L196-C200 VanDerWaalsContact O-SG 3.37Å; I197-C200 WeakPolarHBondContact O-CB 3.48Å; I197-C200 PolarHBondContact O-N 3.1Å; C200-A202 PolarHBondContact O-N 3.33Å; C200-R203 CarbonylContact O-C 2.96Å; C200-R203 VanDerWaalsContact O-C 3.28Å; C200-R203 WeakPolarHBondContact O-CA 3.25Å; C200-R203 WeakPolarHBondContact O-CB 3.33Å; C200-R203 PolarHBondContact O-N 3.3Å; C200-G204 PolarHBondContact O-N 3.27Å; C200-L205 CarbonylContact C-O 3.37Å; C200-L205 HydrophobicContact CB-CB 3.9Å; C200-L205 PolarHBondContact O-N 3.34Å; C200-V207 HydrophobicContact CB-CG2 3.68Å
201Q97.4Very high98.7Very high111 Ų11131.6 Ų31.652%0.51918%0.182SC..Hα-helixtrans-60.5-43.6179.1-73.3171.6-14.700111.9I197 A198 R203 G204I197-Q201 HydrophobicContact CG2-CG 4.39Å; I197-Q201 WeakPolarHBondContact O-CG 3.42Å; I197-Q201 PolarHBondContact O-N 3.31Å; A198-Q201 PolarHBondContact O-N 3.07Å; Q201-R203 PolarHBondContact O-N 3.22Å; Q201-G204 PolarHBondContact O-N 3.29Å
202A98.6Very high98.7Very high85 Ų8531.2 Ų31.270%0.70218%0.18SC*.THydrogen-bonded Turntrans-60.3-18.2174.600000113.2A198 C200A198-A202 WeakPolarHBondContact O-CB 3.31Å; A198-A202 PolarHBondContact O-N 3Å; C200-A202 PolarHBondContact O-N 3.33Å
203R98.7Very high98.7Very high59 Ų5932.6 Ų32.622%0.22319%0.188CC..THydrogen-bonded Turntrans-109.35.8178.7-72.9159178.778.8-3.2112.8D170 L173 R179 H199 C200 Q201 L205D170-R203 IonicContact OD1-CZ 2.64Å; D170-R203 IonicContact OD1-NE 2.73Å; D170-R203 PolarHBondContact OD1-NE 3.47Å; D170-R203 IonicContact OD1-NH2 3.65Å; D170-R203 PolarHBondContact OD1-NH2 3.38Å; D170-R203 IonicContact OD2-CZ 3.76Å; D170-R203 IonicContact OD2-NE 2.8Å; D170-R203 IonicContact OD2-NH2 3.32Å; D170-R203 PolarHBondContact OD2-NH2 2.8Å; L173-R203 HydrophobicContact CD1-CB 3.99Å; L173-R203 VanDerWaalsContact CD1-CD 3.48Å; L173-R203 HydrophobicContact CD1-CG 3.72Å; R179-R203 PolarHBondContact NE-O 3.16Å; R179-R203 VanDerWaalsContact NH2-CA 3.3Å; R179-R203 VanDerWaalsContact NH2-CB 3.31Å; R179-R203 PolarHBondContact NH2-O 2.83Å; H199-R203 PolarHBondContact CE1-NE 3.01Å; H199-R203 PolarHBondContact CE1-NH1 3.31Å; H199-R203 VanDerWaalsContact CE1-NH1 3.32Å; H199-R203 PolarHBondContact CE1-NH2 2.88Å; H199-R203 PolarHBondContact ND1-NH1 3.35Å; H199-R203 WeakPolarHBondContact NE2-CD 3.36Å; H199-R203 PolarHBondContact NE2-NE 3.24Å; H199-R203 VanDerWaalsContact NE2-NE 3.12Å; H199-R203 WeakPolarHBondContact O-CD 3.4Å; H199-R203 PolarHBondContact O-N 3.26Å; H199-R203 PolarHBondContact O-NH1 3.5Å; C200-R203 CarbonylContact O-C 2.96Å; C200-R203 VanDerWaalsContact O-C 3.28Å; C200-R203 WeakPolarHBondContact O-CA 3.25Å; C200-R203 WeakPolarHBondContact O-CB 3.33Å; C200-R203 PolarHBondContact O-N 3.3Å; Q201-R203 PolarHBondContact O-N 3.22Å; R203-L205 VanDerWaalsContact C-N 3.25Å; R203-L205 HydrophobicContact CB-CD1 3.82Å; R203-L205 WeakPolarHBondContact O-CD1 3.42Å; R203-L205 PolarHBondContact O-N 3.2Å
204G98.4Very high98.5Very high36 Ų3632 Ų3237%0.37119%0.185SC..THydrogen-bonded Turntrans64.526.8-179.200000114.3H9 C200 Q201H9-G204 PolarHBondContact CD2-O 2.94Å; C200-G204 PolarHBondContact O-N 3.27Å; Q201-G204 PolarHBondContact O-N 3.29Å
205L98.9Very high98.2Very high1 Ų129.7 Ų29.71%0.00517%0.174CC..  trans-93.9132.4167-78.470000108.5I169 P180 L183 C200 R203I169-L205 HydrophobicContact CG2-CD2 4.15Å; P180-L205 HydrophobicContact CB-CD2 4.06Å; P180-L205 HydrophobicContact CB-CG 4.44Å; P180-L205 HydrophobicContact CG-CD1 4.29Å; P180-L205 HydrophobicContact CG-CD2 4.05Å; P180-L205 HydrophobicContact CG-CG 4.41Å; P180-L205 WeakPolarHBondContact O-CG 3.44Å; L183-L205 HydrophobicContact CB-CD2 4.47Å; C200-L205 CarbonylContact C-O 3.37Å; C200-L205 HydrophobicContact CB-CB 3.9Å; C200-L205 PolarHBondContact O-N 3.34Å; R203-L205 VanDerWaalsContact C-N 3.25Å; R203-L205 HydrophobicContact CB-CD1 3.82Å; R203-L205 WeakPolarHBondContact O-CD1 3.42Å; R203-L205 PolarHBondContact O-N 3.2Å
206E98.9Very high97.6Very high48 Ų4827.8 Ų27.822%0.22417%0.172CC..EExtended strand (participates in β ladder)trans-80.2155.2166.4-63.8-57.3148.700110.2V6 L8 A181 V182 L183 I259V6-E206 HydrophobicContact CB-CG 4.48Å; V6-E206 HydrophobicContact CG2-CB 4.44Å; V6-E206 HydrophobicContact CG2-CG 4.05Å; L8-E206 HydrophobicContact CD2-CB 3.88Å; L8-E206 HydrophobicContact CD2-CG 3.65Å; A181-E206 PolarHBondContact O-N 2.71Å; V182-E206 CarbonylContact C-O 3.48Å; V182-E206 VanDerWaalsContact CA-O 3.28Å; V182-E206 WeakPolarHBondContact CA-O 3.12Å; L183-E206 PolarHBondContact N-O 3.47Å; E206-I259 HydrophobicContact CB-CD1 4.2Å
207V98.9Very high96.9Very high5 Ų531.7 Ų31.73%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-113.3131.1-178.8-179.20000111L183 V185 I197 C200 V258 I259L183-V207 CarbonylContact O-C 3.59Å; L183-V207 WeakPolarHBondContact O-CA 3.28Å; V185-V207 HydrophobicContact CG2-CG1 4.13Å; I197-V207 HydrophobicContact CG1-CB 4.31Å; I197-V207 HydrophobicContact CG1-CG1 4.11Å; I197-V207 HydrophobicContact CG1-CG2 4.11Å; C200-V207 HydrophobicContact CB-CG2 3.68Å; V207-V258 HydrophobicContact CG1-CG1 4.32Å; V207-I259 PolarHBondContact O-N 3.27Å
208T98.9Very high96.3Very high0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-108.1121.2170.4-60.60000110.4V182 L183 Q184 V185 I259 I261V182-T208 WeakPolarHBondContact CG1-OG1 3.44Å; L183-T208 PolarHBondContact O-N 3.12Å; Q184-T208 VanDerWaalsContact CA-O 3.31Å; Q184-T208 WeakPolarHBondContact CA-O 3.45Å; Q184-T208 HydrophobicContact CG-CG2 3.89Å; V185-T208 PolarHBondContact N-O 3.41Å; T208-I259 CarbonylContact C-O 3.57Å; T208-I259 WeakPolarHBondContact CA-O 3.22Å; T208-I259 HydrophobicContact CG2-CB 4.31Å; T208-I259 HydrophobicContact CG2-CG2 4.05Å; T208-I261 HydrophobicContact CG2-CD1 4.01Å; T208-I261 HydrophobicContact CG2-CG1 3.9Å; T208-I261 HydrophobicContact CG2-CG2 3.96Å
209A98.9Very high95.3Very high0 Ų033.2 Ų33.20%020%0.204CC..EExtended strand (participates in β ladder)trans-81.4110.1173.400000110.8V185 C187 P212 V258 I259 I261V185-A209 WeakPolarHBondContact O-CA 3.4Å; C187-A209 HydrophobicContact CB-CB 3.7Å; A209-P212 HydrophobicContact CB-CB 4.37Å; A209-V258 HydrophobicContact CB-CG1 3.82Å; A209-I259 WeakPolarHBondContact CB-O 3.37Å; A209-I259 PolarHBondContact N-O 3.45Å; A209-I261 WeakPolarHBondContact O-CG1 3.22Å; A209-I261 PolarHBondContact O-N 2.9Å
210Y98.8Very high94.3Very high26 Ų2635.5 Ų35.510%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-84.5160.1159.777.3-114.8000110.3N163 Q184 V185 E186 C187 P212 I299N163-Y210 VanDerWaalsContact OD1-CE1 3.24Å; N163-Y210 WeakPolarHBondContact OD1-CE1 3.23Å; N163-Y210 PolarHBondContact OD1-OH 2.77Å; Q184-Y210 HydrophobicContact CG-CD1 4.2Å; V185-Y210 VanDerWaalsContact CA-CE1 3.43Å; V185-Y210 PolarHBondContact O-N 3.41Å; E186-Y210 VanDerWaalsContact CA-CE2 3.45Å; E186-Y210 HydrophobicContact CB-CD2 4.11Å; E186-Y210 HydrophobicContact CB-CE1 4.34Å; E186-Y210 HydrophobicContact CB-CE2 3.35Å; E186-Y210 VanDerWaalsContact CB-CZ 3.48Å; E186-Y210 WeakPolarHBondContact CB-OH 3.02Å; E186-Y210 HydrophobicContact CG-CD2 4.47Å; E186-Y210 HydrophobicContact CG-CE2 3.89Å; E186-Y210 PolarHBondContact N-OH 2.91Å; C187-Y210 PolarHBondContact N-O 3.28Å; Y210-P212 VanDerWaalsContact C-N 3.29Å; Y210-I299 HydrophobicContact CD2-CG1 4.34Å; Y210-I299 HydrophobicContact CE2-CB 3.78Å; Y210-I299 HydrophobicContact CE2-CG1 3.69Å; Y210-I299 HydrophobicContact CE2-CG2 4.07Å
211S98.1Very high93.6Very high18 Ų1839.7 Ų39.713%0.12623%0.228CC..SBendtrans49.140.8-172.2-65.60000114.4H188 L213 G214 I299H188-S211 PolarHBondContact CD2-O 3.03Å; S211-L213 PolarHBondContact O-N 2.94Å; S211-G214 PolarHBondContact O-N 2.86Å; S211-I299 WeakPolarHBondContact OG-CG1 3.48Å
212P98.6Very high92.7Very high2 Ų238.2 Ų38.21%0.01322%0.224CC..THydrogen-bonded Turntrans-65.1-13.8-17430.1-37.2000113.5A209 Y210 L250 C260 P262A209-P212 HydrophobicContact CB-CB 4.37Å; Y210-P212 VanDerWaalsContact C-N 3.29Å; P212-L250 HydrophobicContact CB-CD2 4Å; P212-L250 HydrophobicContact CG-CD2 3.94Å; P212-C260 HydrophobicContact CB-CB 4.2Å; P212-C260 HydrophobicContact CG-CB 4.17Å; P212-P262 HydrophobicContact CG-CB 4.07Å
213L98.3Very high92Very high30 Ų3039.3 Ų39.316%0.15722%0.224CC..THydrogen-bonded Turntrans-10312.3177.3-53.3-177.2000113S211 S215 A246 L249 L250 P262S211-L213 PolarHBondContact O-N 2.94Å; L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 3.48Å; L213-A246 HydrophobicContact CD1-CB 4.17Å; L213-A246 HydrophobicContact CD2-CB 3.82Å; L213-L249 HydrophobicContact CD2-CB 4.15Å; L213-L249 HydrophobicContact CD2-CD1 4.19Å; L213-L250 HydrophobicContact CD2-CD1 4.26Å; L213-L250 HydrophobicContact CD2-CD2 4.24Å; L213-L250 HydrophobicContact CD2-CG 3.9Å; L213-P262 HydrophobicContact CD1-CB 3.93Å; L213-P262 HydrophobicContact CG-CB 4.2Å
214G95.8Very high91.4Very high3 Ų343.6 Ų43.63%0.03125%0.251CS..  trans73.416.2178.200000115.4S211 S216 R218S211-G214 PolarHBondContact O-N 2.86Å; G214-S216 PolarHBondContact O-N 3.1Å; G214-S216 VanDerWaalsContact O-N 3.14Å; G214-R218 PolarHBondContact O-NH1 3.49Å
215S91.8Very high90.7Very high14 Ų1443.1 Ų43.110%0.09824%0.239CC..  trans36.957.7176.1-160.60000114L213 D217 R218L213-S215 VanDerWaalsContact C-N 3.32Å; L213-S215 PolarHBondContact O-N 3.48Å; S215-D217 PolarHBondContact O-N 2.97Å; S215-D217 VanDerWaalsContact O-N 3.1Å; S215-D217 PolarHBondContact OG-OD1 2.98Å; S215-R218 WeakPolarHBondContact O-CB 3.18Å; S215-R218 WeakPolarHBondContact O-CG 3.47Å; S215-R218 PolarHBondContact O-N 3.04Å; S215-R218 VanDerWaalsContact O-N 3.1Å; S215-R218 PolarHBondContact O-NH1 3.12Å
216S86.4Confident90.1Very high56 Ų5644.9 Ų44.939%0.39225%0.251SS..THydrogen-bonded Turntrans-62.7-16.9-175.4560000114.3G214G214-S216 PolarHBondContact O-N 3.1Å; G214-S216 VanDerWaalsContact O-N 3.14Å
217D84.1Confident89.9Confident87 Ų8743.6 Ų43.647%0.46525%0.246SC..THydrogen-bonded Turntrans-93.816.1176.973.9-22000113.8K23 S215K23-D217 PolarHBondContact NZ-O 2.89Å; K23-D217 IonicContact NZ-OD1 2.72Å; K23-D217 PolarHBondContact NZ-OD1 3.06Å; K23-D217 IonicContact NZ-OD2 3.83Å; S215-D217 PolarHBondContact O-N 2.97Å; S215-D217 VanDerWaalsContact O-N 3.1Å; S215-D217 PolarHBondContact OG-OD1 2.98Å
218R86.1Confident89.7Confident10 Ų1043.5 Ų43.54%0.03825%0.245CC..  trans-66.6133.6178.267.4-177.3170.3-83.5-5111.5K23 G214 S215 W220 R221 E225 Y298K23-R218 VanDerWaalsContact NZ-CA 3.34Å; G214-R218 PolarHBondContact O-NH1 3.49Å; S215-R218 WeakPolarHBondContact O-CB 3.18Å; S215-R218 WeakPolarHBondContact O-CG 3.47Å; S215-R218 PolarHBondContact O-N 3.04Å; S215-R218 VanDerWaalsContact O-N 3.1Å; S215-R218 PolarHBondContact O-NH1 3.12Å; R218-W220 PolarHBondContact O-N 3.11Å; R218-W220 VanDerWaalsContact O-N 3.11Å; R218-R221 HydrophobicContact CG-CB 3.8Å; R218-R221 WeakPolarHBondContact O-CB 3.34Å; R218-R221 PolarHBondContact O-N 2.79Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R218-E225 IonicContact CZ-OE2 2.81Å; R218-E225 IonicContact NE-OE2 2.67Å; R218-E225 PolarHBondContact NE-OE2 3.25Å; R218-E225 VanDerWaalsContact NE-OE2 3.16Å; R218-E225 VanDerWaalsContact NH2-CD 3.3Å; R218-E225 IonicContact NH2-OE1 2.91Å; R218-E225 IonicContact NH2-OE2 2.62Å; R218-E225 PolarHBondContact NH2-OE2 3.42Å; R218-Y298 VanDerWaalsContact NH1-CD1 3.26Å
219A78Confident89.7Confident84 Ų8445.5 Ų45.569%0.69426%0.256SS*.THydrogen-bonded Turntrans-61.9-24.7-172.300000113.4
220W78.3Confident89.6Confident71 Ų7151.7 Ų51.727%0.26929%0.285SS..THydrogen-bonded Turntrans-109.620.5-177.958.383.7000114.1W22 R218 D222 Y298 M302 R309W22-W220 HydrophobicContact CH2-CH2 4.25Å; W22-W220 HydrophobicContact CZ2-CH2 4.36Å; R218-W220 PolarHBondContact O-N 3.11Å; R218-W220 VanDerWaalsContact O-N 3.11Å; W220-D222 PolarHBondContact O-N 3.47Å; W220-Y298 PolarHBondContact NE1-O 2.91Å; W220-M302 HydrophobicContact CG-CG 4.27Å; W220-R309 VanDerWaalsContact C-NH1 3.3Å; W220-R309 PolarHBondContact O-NH1 3.05Å
221R83.3Confident89.6Confident88 Ų8852.1 Ų52.133%0.33229%0.288SS..  trans-52.6131.2176.1177173.5172.7-155.8-9.7110R218 E225 V227R218-R221 HydrophobicContact CG-CB 3.8Å; R218-R221 WeakPolarHBondContact O-CB 3.34Å; R218-R221 PolarHBondContact O-N 2.79Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R221-E225 WeakPolarHBondContact CA-OE2 3.13Å; R221-V227 VanDerWaalsContact CZ-CG2 3.42Å
222D79.6Confident89.6Confident80 Ų8055.9 Ų55.943%0.42831%0.312SS..  trans-82.3129.3166.4168.7-12000108W220 D224 E225W220-D222 PolarHBondContact O-N 3.47Å; D222-D224 PolarHBondContact O-N 2.54Å; D222-D224 PolarHBondContact OD1-N 2.89Å; D222-E225 HydrophobicContact CB-CG 3.6Å; D222-E225 PolarHBondContact N-OE2 2.62Å; D222-E225 WeakPolarHBondContact O-CB 3.4Å; D222-E225 WeakPolarHBondContact O-CG 3.13Å; D222-E225 PolarHBondContact O-N 2.62Å
223P83.9Confident89.6Confident108 Ų10857.2 Ų57.270%0.70132%0.319SS*.THydrogen-bonded Turntrans-54.1-30.4-178.8-26.134.8000114E225P223-E225 VanDerWaalsContact C-N 3.29Å
224D84.4Confident89.6Confident149 Ų14955.8 Ų55.880%0.79731%0.312SS*.THydrogen-bonded Turntrans-83.9-6.7-178.7-61.8-33.3000112.2D222D222-D224 PolarHBondContact O-N 2.54Å; D222-D224 PolarHBondContact OD1-N 2.89Å
225E85.1Confident89.7Confident26 Ų2659.4 Ų59.412%0.12133%0.33CS..SBendtrans-68.3136.4175.4-58.4-173.2102.200111.1R218 R221 D222 P223 W296R218-E225 IonicContact CZ-OE2 2.81Å; R218-E225 IonicContact NE-OE2 2.67Å; R218-E225 PolarHBondContact NE-OE2 3.25Å; R218-E225 VanDerWaalsContact NE-OE2 3.16Å; R218-E225 VanDerWaalsContact NH2-CD 3.3Å; R218-E225 IonicContact NH2-OE1 2.91Å; R218-E225 IonicContact NH2-OE2 2.62Å; R218-E225 PolarHBondContact NH2-OE2 3.42Å; R221-E225 WeakPolarHBondContact CA-OE2 3.13Å; D222-E225 HydrophobicContact CB-CG 3.6Å; D222-E225 PolarHBondContact N-OE2 2.62Å; D222-E225 WeakPolarHBondContact O-CB 3.4Å; D222-E225 WeakPolarHBondContact O-CG 3.13Å; D222-E225 PolarHBondContact O-N 2.62Å; P223-E225 VanDerWaalsContact C-N 3.29Å; E225-W296 HydrophobicContact CB-CZ2 4.2Å; E225-W296 HydrophobicContact CG-CZ2 3.73Å; E225-W296 WeakPolarHBondContact OE1-CZ2 3.19Å; E225-W296 PolarHBondContact OE1-NE1 2.9Å
226P85.5Confident90.1Very high38 Ų3861.3 Ų61.325%0.24735%0.347CS..  trans-66.7140-179.829.5-36000111Y190 Y298Y190-P226 HydrophobicContact CE2-CB 4.02Å; Y190-P226 HydrophobicContact CE2-CG 3.76Å; Y190-P226 WeakPolarHBondContact OH-CB 3.47Å; P226-Y298 PolarHBondContact O-OH 3.24Å
227V94.4Very high90.7Very high20 Ų2059 Ų5912%0.12133%0.33CS..  trans-91.4108.9176-175.40000109.1R221 L229 E230 E231R221-V227 VanDerWaalsContact CZ-CG2 3.42Å; V227-L229 HydrophobicContact CG1-CB 4.25Å; V227-L229 PolarHBondContact O-N 2.85Å; V227-L229 VanDerWaalsContact O-N 3.16Å; V227-E230 HydrophobicContact CB-CB 4.09Å; V227-E230 HydrophobicContact CB-CG 4.02Å; V227-E230 HydrophobicContact CG1-CB 4.3Å; V227-E230 HydrophobicContact CG1-CG 3.83Å; V227-E230 PolarHBondContact O-N 2.8Å; V227-E231 PolarHBondContact O-N 2.81Å
228L96.3Very high91.4Very high3 Ų355.2 Ų55.22%0.01631%0.311CS..G310 helixtrans-56.2-33.2-178.5178.465.3000113.9H188 P189 Y190 E230 E231 L249H188-L228 HydrophobicContact CB-CD2 3.61Å; P189-L228 HydrophobicContact CB-CD1 4.12Å; P189-L228 HydrophobicContact CG-CD1 4.26Å; Y190-L228 HydrophobicContact CD1-CD1 3.99Å; Y190-L228 HydrophobicContact CD2-CB 4.4Å; Y190-L228 HydrophobicContact CD2-CD1 4.23Å; Y190-L228 HydrophobicContact CE1-CD1 3.92Å; Y190-L228 HydrophobicContact CE2-CB 4.02Å; Y190-L228 HydrophobicContact CE2-CD1 4.14Å; Y190-L228 HydrophobicContact CG-CD1 4.14Å; L228-E230 PolarHBondContact O-N 3.04Å; L228-E231 HydrophobicContact CD1-CG 4.42Å; L228-E231 PolarHBondContact O-N 2.64Å; L228-L249 HydrophobicContact CD1-CD2 4.04Å; L228-L249 HydrophobicContact CD2-CD1 3.8Å; L228-L249 HydrophobicContact CD2-CD2 4.06Å; L228-L249 HydrophobicContact CG-CD1 3.81Å; L228-L249 HydrophobicContact CG-CD2 3.86Å
229L97.6Very high92Very high42 Ų4262.8 Ų62.822%0.2235%0.347CS..G310 helixtrans-70.6-14.4177.3-73.6165.1000113.5V227 P245 A246 L249V227-L229 HydrophobicContact CG1-CB 4.25Å; V227-L229 PolarHBondContact O-N 2.85Å; V227-L229 VanDerWaalsContact O-N 3.16Å; L229-P245 HydrophobicContact CD2-CB 3.9Å; L229-P245 WeakPolarHBondContact O-CB 3.4Å; L229-A246 HydrophobicContact CD2-CB 4.12Å; L229-L249 HydrophobicContact CD2-CD1 3.63Å; L229-L249 HydrophobicContact CG-CD1 4.17Å
230E97.4Very high93Very high130 Ų13065.5 Ų65.561%0.60734%0.343SS*.G310 helixtrans-107.46.3-179.2-61.7174-160.600112.1V227 L228 L235V227-E230 HydrophobicContact CB-CB 4.09Å; V227-E230 HydrophobicContact CB-CG 4.02Å; V227-E230 HydrophobicContact CG1-CB 4.3Å; V227-E230 HydrophobicContact CG1-CG 3.83Å; V227-E230 PolarHBondContact O-N 2.8Å; L228-E230 PolarHBondContact O-N 3.04Å; E230-L235 WeakPolarHBondContact O-CD1 3.33Å
231E98.1Very high93.9Very high36 Ų3664.6 Ų64.617%0.16834%0.34CS..  trans-59127.9176.6-93.2-71.4174.700111.2Y190 V227 L228 V233 V234 L235 L292 K294Y190-E231 HydrophobicContact CE1-CG 3.66Å; Y190-E231 WeakPolarHBondContact CE1-OE1 3.44Å; Y190-E231 VanDerWaalsContact CZ-OE1 3.26Å; Y190-E231 WeakPolarHBondContact OH-CG 3.26Å; Y190-E231 PolarHBondContact OH-OE1 3.25Å; V227-E231 PolarHBondContact O-N 2.81Å; L228-E231 HydrophobicContact CD1-CG 4.42Å; L228-E231 PolarHBondContact O-N 2.64Å; E231-V233 VanDerWaalsContact C-N 3.26Å; E231-V233 PolarHBondContact O-N 3.26Å; E231-V233 VanDerWaalsContact O-N 3.14Å; E231-V234 HydrophobicContact CB-CB 4.04Å; E231-V234 HydrophobicContact CB-CG2 3.69Å; E231-V234 WeakPolarHBondContact O-CA 3.39Å; E231-V234 WeakPolarHBondContact O-CB 3.44Å; E231-V234 PolarHBondContact O-N 3.34Å; E231-L235 PolarHBondContact O-N 2.91Å; E231-L292 HydrophobicContact CG-CD1 4.43Å; E231-K294 IonicContact OE1-NZ 3.77Å
232P98.4Very high94.6Very high97 Ų9763.2 Ų63.263%0.6335%0.353SS*.Hα-helixtrans-54-39.1-175.3-31.437.4000114.1V234 L235 A236P232-V234 VanDerWaalsContact C-N 3.33Å; P232-V234 PolarHBondContact O-N 3.36Å; P232-L235 PolarHBondContact O-N 3.22Å; P232-A236 WeakPolarHBondContact O-CB 3.34Å; P232-A236 PolarHBondContact O-N 3.23Å
233V98.5Very high95.6Very high29 Ų2963 Ų6318%0.17635%0.346CS..Hα-helixtrans-67.2-35176.869.20000112.2E231 L237 Q288 L289 L292E231-V233 VanDerWaalsContact C-N 3.26Å; E231-V233 PolarHBondContact O-N 3.26Å; E231-V233 VanDerWaalsContact O-N 3.14Å; V233-L237 HydrophobicContact CG2-CD1 4.38Å; V233-L237 WeakPolarHBondContact O-CB 3.42Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.21Å; V233-L237 PolarHBondContact O-N 2.8Å; V233-Q288 HydrophobicContact CG2-CB 3.85Å; V233-L289 HydrophobicContact CG1-CD2 4.39Å; V233-L292 HydrophobicContact CG1-CD1 3.56Å; V233-L292 HydrophobicContact CG1-CD2 3.73Å; V233-L292 HydrophobicContact CG1-CG 3.89Å
234V98.8Very high96.3Very high0 Ų059 Ų590%032%0.321CS..Hα-helixtrans-69.2-43.1177.3177.50000109.7E231 P232 L237 A238 P245 I248 L249 L289 L292E231-V234 HydrophobicContact CB-CB 4.04Å; E231-V234 HydrophobicContact CB-CG2 3.69Å; E231-V234 WeakPolarHBondContact O-CA 3.39Å; E231-V234 WeakPolarHBondContact O-CB 3.44Å; E231-V234 PolarHBondContact O-N 3.34Å; P232-V234 VanDerWaalsContact C-N 3.33Å; P232-V234 PolarHBondContact O-N 3.36Å; V234-L237 PolarHBondContact O-N 2.91Å; V234-A238 VanDerWaalsContact O-CB 3.27Å; V234-A238 WeakPolarHBondContact O-CB 3.34Å; V234-A238 PolarHBondContact O-N 3.33Å; V234-P245 HydrophobicContact CG1-CB 3.82Å; V234-I248 HydrophobicContact CG1-CB 4.17Å; V234-I248 HydrophobicContact CG1-CG2 4.13Å; V234-L249 HydrophobicContact CG1-CD2 4.19Å; V234-L249 HydrophobicContact CG1-CG 4.27Å; V234-L249 HydrophobicContact CG2-CD2 3.86Å; V234-L289 HydrophobicContact CG2-CD2 4.08Å; V234-L292 HydrophobicContact CG2-CD1 4.26Å
235L98.8Very high96.9Very high80 Ų8053.6 Ų53.642%0.41929%0.294SS..Hα-helixtrans-63.9-43.7176.1-63.5178.5000111.9E230 E231 P232 L237 A238 E239 P245E230-L235 WeakPolarHBondContact O-CD1 3.33Å; E231-L235 PolarHBondContact O-N 2.91Å; P232-L235 PolarHBondContact O-N 3.22Å; L235-L237 PolarHBondContact O-N 3.04Å; L235-A238 WeakPolarHBondContact O-CB 3.39Å; L235-A238 PolarHBondContact O-N 3.18Å; L235-E239 PolarHBondContact O-N 3.42Å; L235-P245 HydrophobicContact CD2-CG 3.84Å
236A98.8Very high97.6Very high54 Ų5453.1 Ų53.145%0.44629%0.294SS..Hα-helixtrans-63.1-41.1177.700000112.3P232 K240P232-A236 WeakPolarHBondContact O-CB 3.34Å; P232-A236 PolarHBondContact O-N 3.23Å; A236-K240 WeakPolarHBondContact O-CB 3.37Å; A236-K240 PolarHBondContact O-N 3.02Å
237L98.8Very high98.2Very high6 Ų652 Ų523%0.03129%0.286CS..Hα-helixtrans-69.3-36.6174.4-69.7173.3000112V233 V234 L235 E239 K240 Y241 I248 E285 L289V233-L237 HydrophobicContact CG2-CD1 4.38Å; V233-L237 WeakPolarHBondContact O-CB 3.42Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.21Å; V233-L237 PolarHBondContact O-N 2.8Å; V234-L237 PolarHBondContact O-N 2.91Å; L235-L237 PolarHBondContact O-N 3.04Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 3.37Å; L237-K240 PolarHBondContact O-N 2.9Å; L237-Y241 HydrophobicContact CD2-CE2 4.25Å; L237-Y241 WeakPolarHBondContact O-CD2 3.36Å; L237-Y241 PolarHBondContact O-N 3.43Å; L237-I248 HydrophobicContact CB-CD1 4.16Å; L237-I248 HydrophobicContact CB-CG1 4.28Å; L237-I248 HydrophobicContact CB-CG2 3.93Å; L237-I248 HydrophobicContact CD1-CG2 4.14Å; L237-E285 HydrophobicContact CD2-CB 4.06Å; L237-E285 HydrophobicContact CD2-CG 3.73Å; L237-L289 HydrophobicContact CD1-CD1 3.76Å; L237-L289 HydrophobicContact CD1-CD2 3.97Å; L237-L289 HydrophobicContact CD1-CG 3.77Å
238A98.8Very high98.4Very high9 Ų951 Ų517%0.07428%0.28CS..Hα-helixtrans-59.1-46.3175.200000111.1V234 L235 G242 R243 P245 I248V234-A238 VanDerWaalsContact O-CB 3.27Å; V234-A238 WeakPolarHBondContact O-CB 3.34Å; V234-A238 PolarHBondContact O-N 3.33Å; L235-A238 WeakPolarHBondContact O-CB 3.39Å; L235-A238 PolarHBondContact O-N 3.18Å; A238-G242 PolarHBondContact O-N 3.49Å; A238-R243 CarbonylContact C-O 3.28Å; A238-R243 WeakPolarHBondContact CA-O 3.32Å; A238-R243 VanDerWaalsContact CB-O 3.27Å; A238-R243 WeakPolarHBondContact CB-O 3.5Å; A238-R243 PolarHBondContact O-N 2.97Å; A238-R243 VanDerWaalsContact O-O 3.09Å; A238-P245 HydrophobicContact CB-CG 4.16Å; A238-I248 HydrophobicContact CB-CG1 3.89Å
239E98.8Very high98.6Very high168 Ų16850.9 Ų50.979%0.78528%0.279SS*.Hα-helixtrans-61.2-52.7173.9-175.6177.8-17500111.5L235 L237 Y241 G242L235-E239 PolarHBondContact O-N 3.42Å; L237-E239 VanDerWaalsContact C-N 3.34Å; L237-E239 PolarHBondContact O-N 3.37Å; E239-Y241 VanDerWaalsContact C-N 3.28Å; E239-Y241 PolarHBondContact O-N 3.23Å; E239-G242 PolarHBondContact O-N 3.22Å; E239-G242 VanDerWaalsContact O-N 3.09Å
240K98.7Very high98.6Very high142 Ų14248.9 Ų48.962%0.61727%0.269SS*.Hα-helixtrans-54.2-42.2-178.5178.9177.4179-179.70113.2A236 L237 E285A236-K240 WeakPolarHBondContact O-CB 3.37Å; A236-K240 PolarHBondContact O-N 3.02Å; L237-K240 PolarHBondContact O-N 2.9Å; K240-E285 WeakPolarHBondContact CD-OE1 3.32Å; K240-E285 VanDerWaalsContact CE-OE1 3.26Å; K240-E285 WeakPolarHBondContact CE-OE1 3.36Å; K240-E285 IonicContact NZ-OE1 3.94Å; K240-E285 PolarHBondContact NZ-OE1 2.85Å
241Y98.6Very high98.7Very high52 Ų5243.9 Ų43.920%0.20424%0.244CC..Hα-helixtrans-91.2-6.3-177.1-78.4-86.8000113.8L237 E239 R243 F279 T280 F281 E285L237-Y241 HydrophobicContact CD2-CE2 4.25Å; L237-Y241 WeakPolarHBondContact O-CD2 3.36Å; L237-Y241 PolarHBondContact O-N 3.43Å; E239-Y241 VanDerWaalsContact C-N 3.28Å; E239-Y241 PolarHBondContact O-N 3.23Å; Y241-R243 VanDerWaalsContact C-N 3.32Å; Y241-R243 PolarHBondContact O-N 3.23Å; Y241-R243 PolarHBondContact O-NH1 3.41Å; Y241-R243 VanDerWaalsContact O-NH1 3.12Å; Y241-F279 HydrophobicContact CD1-CB 3.97Å; Y241-F279 AromaticContact CD1-CD2 3.53Å; Y241-F279 HydrophobicContact CD1-CD2 3.53Å; Y241-F279 HydrophobicContact CD1-CE2 4.37Å; Y241-F279 HydrophobicContact CD1-CG 4.1Å; Y241-F279 HydrophobicContact CE1-CB 4.24Å; Y241-F279 AromaticContact CE1-CD2 3.86Å; Y241-F279 HydrophobicContact CE1-CD2 3.86Å; Y241-F279 AromaticContact CG-CD2 3.97Å; Y241-F279 HydrophobicContact CG-CD2 3.97Å; Y241-F279 HydrophobicContact CG-CE2 4.37Å; Y241-T280 PolarHBondContact OH-O 3.42Å; Y241-F281 HydrophobicContact CD2-CD1 4.33Å; Y241-F281 AromaticContact CD2-CE1 3.97Å; Y241-F281 HydrophobicContact CD2-CE1 3.97Å; Y241-F281 AromaticContact CE2-CD1 3.61Å; Y241-F281 HydrophobicContact CE2-CD1 3.61Å; Y241-F281 AromaticContact CE2-CE1 3.72Å; Y241-F281 HydrophobicContact CE2-CE1 3.72Å; Y241-F281 AromaticContact CZ-CD1 3.78Å; Y241-E285 WeakPolarHBondContact CE2-OE1 2.99Å; Y241-E285 PolarHBondContact OH-OE1 3.27Å; Y241-E285 PolarHBondContact OH-OE2 3.38Å
242G98.4Very high98.7Very high59 Ų5942.2 Ų42.261%0.60824%0.236SC*.THydrogen-bonded Turntrans56.548.1-170.100000111.2A238 E239A238-G242 PolarHBondContact O-N 3.49Å; E239-G242 PolarHBondContact O-N 3.22Å; E239-G242 VanDerWaalsContact O-N 3.09Å
243R98.6Very high98.8Very high75 Ų7537.6 Ų37.628%0.28321%0.206SC..  trans-131.3162.8-177.9-67.8-64.6179.7-76.60.5109.9A238 Y241 Q247 I248 D278 F279A238-R243 CarbonylContact C-O 3.28Å; A238-R243 WeakPolarHBondContact CA-O 3.32Å; A238-R243 VanDerWaalsContact CB-O 3.27Å; A238-R243 WeakPolarHBondContact CB-O 3.5Å; A238-R243 PolarHBondContact O-N 2.97Å; A238-R243 VanDerWaalsContact O-O 3.09Å; Y241-R243 VanDerWaalsContact C-N 3.32Å; Y241-R243 PolarHBondContact O-N 3.23Å; Y241-R243 PolarHBondContact O-NH1 3.41Å; Y241-R243 VanDerWaalsContact O-NH1 3.12Å; R243-Q247 HydrophobicContact CB-CB 4.1Å; R243-I248 HydrophobicContact CB-CD1 4.18Å; R243-D278 IonicContact CZ-OD2 2.77Å; R243-D278 IonicContact NE-OD2 2.98Å; R243-D278 IonicContact NH2-OD2 3.81Å; R243-D278 PolarHBondContact NH2-OD2 2.8Å; R243-F279 HydrophobicContact CG-CD1 4.25Å; R243-F279 HydrophobicContact CG-CE1 3.96Å; R243-F279 HydrophobicContact CG-CE2 4.49Å; R243-F279 HydrophobicContact CG-CZ 4.09Å
244S98.8Very high98.8Very high24 Ų2436.4 Ų36.417%0.16820%0.199CC..  trans-76.5155.6175.274.20000111.6A246 Q247 I248S244-A246 PolarHBondContact O-N 3.16Å; S244-Q247 WeakPolarHBondContact O-CB 3.1Å; S244-Q247 PolarHBondContact O-N 3.04Å; S244-Q247 PolarHBondContact OG-N 3.29Å; S244-Q247 PolarHBondContact OG-OE1 3.16Å; S244-I248 PolarHBondContact O-N 3.11Å; S244-I248 VanDerWaalsContact O-N 3.11Å
245P98.8Very high98.8Very high36 Ų3638.8 Ų38.823%0.23421%0.21CC..Hα-helixtrans-52.3-37.6172.3-30.538.1000113.1L229 V234 L235 A238 Q247 I248 L249L229-P245 HydrophobicContact CD2-CB 3.9Å; L229-P245 WeakPolarHBondContact O-CB 3.4Å; V234-P245 HydrophobicContact CG1-CB 3.82Å; L235-P245 HydrophobicContact CD2-CG 3.84Å; A238-P245 HydrophobicContact CB-CG 4.16Å; P245-Q247 PolarHBondContact O-N 2.97Å; P245-I248 WeakPolarHBondContact O-CB 3.36Å; P245-I248 PolarHBondContact O-N 3.2Å; P245-I248 VanDerWaalsContact O-N 3.17Å; P245-L249 WeakPolarHBondContact O-CG 3.34Å; P245-L249 PolarHBondContact O-N 2.92Å; P245-L249 VanDerWaalsContact O-N 3.08Å
246A98.7Very high98.8Very high15 Ų1537 Ų3712%0.12420%0.198CC..Hα-helixtrans-62.8-41.2176.100000112.5L213 L229 S244 I248 L249 L250L213-A246 HydrophobicContact CD1-CB 4.17Å; L213-A246 HydrophobicContact CD2-CB 3.82Å; L229-A246 HydrophobicContact CD2-CB 4.12Å; S244-A246 PolarHBondContact O-N 3.16Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 2.9Å; A246-L249 PolarHBondContact O-N 3.18Å; A246-L250 WeakPolarHBondContact O-CB 3.19Å; A246-L250 VanDerWaalsContact O-CG 3.24Å; A246-L250 WeakPolarHBondContact O-CG 3.3Å; A246-L250 PolarHBondContact O-N 2.55Å
247Q98.9Very high98.7Very high15 Ų1540.4 Ų40.47%0.0720%0.203CC..Hα-helixtrans-65.2-34174.9-72.8174-62.500111.8R243 S244 P245 R251 Q272 K275 V276 F279R243-Q247 HydrophobicContact CB-CB 4.1Å; S244-Q247 WeakPolarHBondContact O-CB 3.1Å; S244-Q247 PolarHBondContact O-N 3.04Å; S244-Q247 PolarHBondContact OG-N 3.29Å; S244-Q247 PolarHBondContact OG-OE1 3.16Å; P245-Q247 PolarHBondContact O-N 2.97Å; Q247-R251 WeakPolarHBondContact O-CB 3.47Å; Q247-R251 PolarHBondContact O-N 2.76Å; Q247-Q272 HydrophobicContact CG-CB 4.47Å; Q247-Q272 WeakPolarHBondContact CG-O 3.35Å; Q247-Q272 PolarHBondContact NE2-O 3.15Å; Q247-K275 PolarHBondContact NE2-O 3.37Å; Q247-V276 HydrophobicContact CB-CG1 4.11Å; Q247-V276 HydrophobicContact CG-CG1 4.1Å; Q247-F279 HydrophobicContact CB-CZ 4.39Å
248I98.9Very high98.8Very high0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-63.1-50175-59.3-52.5000110.8V234 L237 A238 R243 S244 P245 A246 L250 R251 W252 F279 F281 L289V234-I248 HydrophobicContact CG1-CB 4.17Å; V234-I248 HydrophobicContact CG1-CG2 4.13Å; L237-I248 HydrophobicContact CB-CD1 4.16Å; L237-I248 HydrophobicContact CB-CG1 4.28Å; L237-I248 HydrophobicContact CB-CG2 3.93Å; L237-I248 HydrophobicContact CD1-CG2 4.14Å; A238-I248 HydrophobicContact CB-CG1 3.89Å; R243-I248 HydrophobicContact CB-CD1 4.18Å; S244-I248 PolarHBondContact O-N 3.11Å; S244-I248 VanDerWaalsContact O-N 3.11Å; P245-I248 WeakPolarHBondContact O-CB 3.36Å; P245-I248 PolarHBondContact O-N 3.2Å; P245-I248 VanDerWaalsContact O-N 3.17Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 2.9Å; I248-L250 PolarHBondContact O-N 3.17Å; I248-R251 PolarHBondContact O-N 2.91Å; I248-W252 PolarHBondContact O-N 3.17Å; I248-F279 HydrophobicContact CD1-CE2 4.06Å; I248-F279 HydrophobicContact CD1-CZ 4.36Å; I248-F281 HydrophobicContact CB-CZ 4.26Å; I248-F281 HydrophobicContact CD1-CE1 3.99Å; I248-F281 HydrophobicContact CD1-CZ 3.89Å; I248-F281 HydrophobicContact CG2-CE1 4.44Å; I248-F281 HydrophobicContact CG2-CE2 4.49Å; I248-F281 HydrophobicContact CG2-CZ 3.74Å; I248-L289 HydrophobicContact CG2-CD1 4.39Å; I248-L289 HydrophobicContact CG2-CD2 4.39Å
249L98.9Very high98.8Very high0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-61-43.2179.1-63.2178000112.3P189 L213 L228 L229 V234 P245 A246 Q253P189-L249 HydrophobicContact CG-CD2 3.77Å; L213-L249 HydrophobicContact CD2-CB 4.15Å; L213-L249 HydrophobicContact CD2-CD1 4.19Å; L228-L249 HydrophobicContact CD1-CD2 4.04Å; L228-L249 HydrophobicContact CD2-CD1 3.8Å; L228-L249 HydrophobicContact CD2-CD2 4.06Å; L228-L249 HydrophobicContact CG-CD1 3.81Å; L228-L249 HydrophobicContact CG-CD2 3.86Å; L229-L249 HydrophobicContact CD2-CD1 3.63Å; L229-L249 HydrophobicContact CG-CD1 4.17Å; V234-L249 HydrophobicContact CG1-CD2 4.19Å; V234-L249 HydrophobicContact CG1-CG 4.27Å; V234-L249 HydrophobicContact CG2-CD2 3.86Å; P245-L249 WeakPolarHBondContact O-CG 3.34Å; P245-L249 PolarHBondContact O-N 2.92Å; P245-L249 VanDerWaalsContact O-N 3.08Å; A246-L249 PolarHBondContact O-N 3.18Å; L249-Q253 PolarHBondContact O-N 3.42Å
250L98.9Very high98.8Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-70-40.5178.3-68.9170000111.8I17 P212 L213 A246 I248 W252 Q253 V254 C260 P262 N273 V276I17-L250 HydrophobicContact CD1-CD2 4.26Å; P212-L250 HydrophobicContact CB-CD2 4Å; P212-L250 HydrophobicContact CG-CD2 3.94Å; L213-L250 HydrophobicContact CD2-CD1 4.26Å; L213-L250 HydrophobicContact CD2-CD2 4.24Å; L213-L250 HydrophobicContact CD2-CG 3.9Å; A246-L250 WeakPolarHBondContact O-CB 3.19Å; A246-L250 VanDerWaalsContact O-CG 3.24Å; A246-L250 WeakPolarHBondContact O-CG 3.3Å; A246-L250 PolarHBondContact O-N 2.55Å; I248-L250 PolarHBondContact O-N 3.17Å; L250-W252 VanDerWaalsContact C-N 3.26Å; L250-W252 PolarHBondContact O-N 2.7Å; L250-Q253 PolarHBondContact O-N 3.3Å; L250-V254 PolarHBondContact O-N 3.46Å; L250-C260 HydrophobicContact CD2-CB 3.65Å; L250-P262 HydrophobicContact CD1-CB 4.36Å; L250-P262 HydrophobicContact CD1-CG 3.97Å; L250-P262 HydrophobicContact CD2-CB 4.09Å; L250-P262 HydrophobicContact CD2-CG 3.8Å; L250-N273 HydrophobicContact CD1-CB 3.72Å; L250-N273 WeakPolarHBondContact CD1-O 3.21Å; L250-V276 HydrophobicContact CB-CG1 3.86Å
251R98.9Very high98.8Very high25 Ų2525.5 Ų25.59%0.09413%0.134CC..Hα-helixtrans-58.7-42.2176.6175.363.5-156-172.2-8.1111.4Q247 I248 Q253 V254 Q255 V276 F279 T280 F281Q247-R251 WeakPolarHBondContact O-CB 3.47Å; Q247-R251 PolarHBondContact O-N 2.76Å; I248-R251 PolarHBondContact O-N 2.91Å; R251-Q253 VanDerWaalsContact C-N 3.28Å; R251-Q253 PolarHBondContact O-N 3.23Å; R251-V254 WeakPolarHBondContact O-CG2 3.1Å; R251-V254 PolarHBondContact O-N 3.09Å; R251-Q255 VanDerWaalsContact O-CB 3.26Å; R251-Q255 WeakPolarHBondContact O-CB 3.4Å; R251-Q255 PolarHBondContact O-N 2.82Å; R251-V276 HydrophobicContact CB-CB 4.49Å; R251-V276 WeakPolarHBondContact CD-O 3.45Å; R251-V276 PolarHBondContact NH1-O 3.12Å; R251-V276 VanDerWaalsContact NH1-O 3.11Å; R251-F279 HydrophobicContact CB-CE1 4.16Å; R251-F279 HydrophobicContact CB-CE2 3.65Å; R251-F279 HydrophobicContact CB-CZ 3.37Å; R251-F279 WeakPolarHBondContact CD-O 3.49Å; R251-F279 HydrophobicContact CG-CD2 4.03Å; R251-F279 HydrophobicContact CG-CE1 4.36Å; R251-F279 HydrophobicContact CG-CE2 3.49Å; R251-F279 VanDerWaalsContact CG-CE2 3.49Å; R251-F279 HydrophobicContact CG-CZ 3.69Å; R251-F279 PolarHBondContact NE-O 3.5Å; R251-F279 PolarHBondContact NH1-O 3.13Å; R251-F279 PolarHBondContact NH2-O 3.12Å; R251-T280 PolarHBondContact NH2-OG1 3.02Å; R251-F281 HydrophobicContact CB-CD2 4.44Å; R251-F281 HydrophobicContact CB-CE2 3.62Å; R251-F281 HydrophobicContact CB-CZ 3.88Å; R251-F281 HydrophobicContact CG-CD2 3.74Å; R251-F281 HydrophobicContact CG-CE1 4.5Å; R251-F281 HydrophobicContact CG-CE2 3.38Å; R251-F281 HydrophobicContact CG-CG 4.44Å; R251-F281 HydrophobicContact CG-CZ 3.79Å
252W98.9Very high98.8Very high0 Ų023.1 Ų23.10%013%0.125CC..Hα-helixtrans-57.1-44.5179175.675.6000111.3P189 A192 I248 L250 R256 F281 M286 L289 N290P189-W252 HydrophobicContact CG-CD2 4.12Å; P189-W252 HydrophobicContact CG-CE3 3.8Å; P189-W252 HydrophobicContact CG-CH2 4.37Å; P189-W252 HydrophobicContact CG-CZ3 3.94Å; A192-W252 HydrophobicContact CB-CH2 3.9Å; A192-W252 HydrophobicContact CB-CZ2 4.24Å; I248-W252 PolarHBondContact O-N 3.17Å; L250-W252 VanDerWaalsContact C-N 3.26Å; L250-W252 PolarHBondContact O-N 2.7Å; W252-R256 VanDerWaalsContact CZ3-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CD 3.12Å; W252-R256 VanDerWaalsContact O-CG 3.26Å; W252-R256 WeakPolarHBondContact O-CG 3.4Å; W252-R256 PolarHBondContact O-N 3.13Å; W252-F281 HydrophobicContact CB-CE2 4.14Å; W252-M286 HydrophobicContact CG-CE 4.42Å; W252-L289 HydrophobicContact CB-CD1 3.96Å; W252-L289 HydrophobicContact CG-CB 4.24Å; W252-L289 HydrophobicContact CG-CD1 4.01Å; W252-N290 PolarHBondContact NE1-OD1 2.9Å
253Q98.9Very high98.7Very high0 Ų023.2 Ų23.20%011%0.109CC..Hα-helixtrans-67.8-50.3177.4-63.4-71.832.800112.9C187 L249 L250 R251 Q255 R256 K257 V258 C260C187-Q253 PolarHBondContact O-NE2 2.88Å; C187-Q253 PolarHBondContact SG-NE2 3.31Å; L249-Q253 PolarHBondContact O-N 3.42Å; L250-Q253 PolarHBondContact O-N 3.3Å; R251-Q253 VanDerWaalsContact C-N 3.28Å; R251-Q253 PolarHBondContact O-N 3.23Å; Q253-Q255 PolarHBondContact O-N 3.43Å; Q253-R256 CarbonylContact O-C 3.54Å; Q253-R256 WeakPolarHBondContact O-CA 3.48Å; Q253-R256 WeakPolarHBondContact O-CB 3.5Å; Q253-R256 PolarHBondContact O-N 3.48Å; Q253-K257 PolarHBondContact O-N 3.35Å; Q253-V258 CarbonylContact C-O 3.59Å; Q253-V258 HydrophobicContact CB-CB 4.24Å; Q253-V258 PolarHBondContact O-N 2.95Å; Q253-C260 WeakPolarHBondContact CB-SG 3.42Å; Q253-C260 WeakPolarHBondContact CG-SG 3.46Å
254V98.6Very high98.7Very high4 Ų420.1 Ų20.12%0.02410%0.098CC..Hα-helixtrans-66.6-27.9-177.1-57.80000112.2L16 I17 L250 R251 R256 K257 V276 F277L16-V254 HydrophobicContact CB-CG1 4.04Å; L16-V254 HydrophobicContact CD1-CB 4.38Å; I17-V254 HydrophobicContact CD1-CG1 3.85Å; I17-V254 HydrophobicContact CG1-CG1 4.24Å; L250-V254 PolarHBondContact O-N 3.46Å; R251-V254 WeakPolarHBondContact O-CG2 3.1Å; R251-V254 PolarHBondContact O-N 3.09Å; V254-R256 VanDerWaalsContact C-N 3.3Å; V254-K257 PolarHBondContact O-N 3.14Å; V254-K257 VanDerWaalsContact O-N 3.08Å; V254-V276 HydrophobicContact CG1-CG2 4.29Å; V254-V276 HydrophobicContact CG2-CG2 4.1Å; V254-F277 HydrophobicContact CB-CE1 4.21Å; V254-F277 HydrophobicContact CG1-CE1 4.34Å; V254-F277 HydrophobicContact CG1-CZ 4.36Å; V254-F277 HydrophobicContact CG2-CE1 4.33Å
255Q98.8Very high98.7Very high50 Ų5021.6 Ų21.623%0.23410%0.104CC..Hα-helixtrans-69.2-28.8172.7-171.2160.4-50.900112.2R251 Q253 K257 F281 M286R251-Q255 VanDerWaalsContact O-CB 3.26Å; R251-Q255 WeakPolarHBondContact O-CB 3.4Å; R251-Q255 PolarHBondContact O-N 2.82Å; Q253-Q255 PolarHBondContact O-N 3.43Å; Q255-K257 PolarHBondContact O-N 3.33Å; Q255-F281 PolarHBondContact NE2-O 3.41Å; Q255-M286 HydrophobicContact CB-SD 4.36Å; Q255-M286 HydrophobicContact CG-CE 4.49Å; Q255-M286 HydrophobicContact CG-SD 4.2Å; Q255-M286 VanDerWaalsContact NE2-CG 3.31Å; Q255-M286 PolarHBondContact NE2-SD 2.56Å; Q255-M286 VanDerWaalsContact NE2-SD 3.44Å
256R98.6Very high98.6Very high42 Ų4222.1 Ų22.116%0.15811%0.107CC..THydrogen-bonded Turntrans-81.21.9169.5-61.5163.473.5-146.29.7113.2A192 N194 W252 Q253 V254 V258 M286A192-R256 PolarHBondContact O-NH1 3.46Å; A192-R256 PolarHBondContact O-NH2 3.44Å; N194-R256 PolarHBondContact OD1-NH2 3.4Å; W252-R256 VanDerWaalsContact CZ3-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CD 3.12Å; W252-R256 VanDerWaalsContact O-CG 3.26Å; W252-R256 WeakPolarHBondContact O-CG 3.4Å; W252-R256 PolarHBondContact O-N 3.13Å; Q253-R256 CarbonylContact O-C 3.54Å; Q253-R256 WeakPolarHBondContact O-CA 3.48Å; Q253-R256 WeakPolarHBondContact O-CB 3.5Å; Q253-R256 PolarHBondContact O-N 3.48Å; V254-R256 VanDerWaalsContact C-N 3.3Å; R256-V258 HydrophobicContact CB-CG2 4.03Å; R256-V258 PolarHBondContact O-N 2.85Å; R256-M286 HydrophobicContact CG-CE 3.69Å
257K98.6Very high98.6Very high127 Ų12724.5 Ų24.555%0.55212%0.121SC*.THydrogen-bonded Turntrans61.824.8-172.6-52.6-61.7-177178.40114V6 Q253 V254 Q255V6-K257 HydrophobicContact CG1-CB 4.38Å; Q253-K257 PolarHBondContact O-N 3.35Å; V254-K257 PolarHBondContact O-N 3.14Å; V254-K257 VanDerWaalsContact O-N 3.08Å; Q255-K257 PolarHBondContact O-N 3.33Å
258V98.9Very high98.6Very high3 Ų327 Ų272%0.01814%0.14CC..  trans-88.9126.4172.9178.50000109I197 V207 A209 Q253 R256I197-V258 HydrophobicContact CD1-CG2 3.91Å; V207-V258 HydrophobicContact CG1-CG1 4.32Å; A209-V258 HydrophobicContact CB-CG1 3.82Å; Q253-V258 CarbonylContact C-O 3.59Å; Q253-V258 HydrophobicContact CB-CB 4.24Å; Q253-V258 PolarHBondContact O-N 2.95Å; R256-V258 HydrophobicContact CB-CG2 4.03Å; R256-V258 PolarHBondContact O-N 2.85Å
259I98.9Very high98.6Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-69143.8176.6-58.5149.9000108.8V6 M14 P15 L16 E206 V207 T208 A209V6-I259 HydrophobicContact CG2-CD1 3.7Å; V6-I259 HydrophobicContact CG2-CG1 3.81Å; M14-I259 HydrophobicContact CB-CD1 4.43Å; M14-I259 HydrophobicContact CE-CD1 4.11Å; M14-I259 HydrophobicContact CE-CG2 4.44Å; M14-I259 HydrophobicContact CG-CD1 3.97Å; M14-I259 HydrophobicContact SD-CD1 3.6Å; M14-I259 VanDerWaalsContact SD-CD1 3.6Å; P15-I259 WeakPolarHBondContact O-CG2 3.26Å; L16-I259 HydrophobicContact CD2-CG1 4.11Å; L16-I259 CarbonylContact O-C 3.58Å; L16-I259 WeakPolarHBondContact O-CA 3.4Å; E206-I259 HydrophobicContact CB-CD1 4.2Å; V207-I259 PolarHBondContact O-N 3.27Å; T208-I259 CarbonylContact C-O 3.57Å; T208-I259 WeakPolarHBondContact CA-O 3.22Å; T208-I259 HydrophobicContact CG2-CB 4.31Å; T208-I259 HydrophobicContact CG2-CG2 4.05Å; A209-I259 WeakPolarHBondContact CB-O 3.37Å; A209-I259 PolarHBondContact N-O 3.45Å
260C98.9Very high98.6Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-127.4142.7176.8-70.20000112.1L16 I17 G18 P212 L250 Q253 P262L16-C260 PolarHBondContact O-N 2.94Å; I17-C260 CarbonylContact C-O 3.46Å; I17-C260 WeakPolarHBondContact CA-O 3.38Å; I17-C260 HydrophobicContact CD1-CB 3.89Å; G18-C260 PolarHBondContact N-O 3.24Å; P212-C260 HydrophobicContact CB-CB 4.2Å; P212-C260 HydrophobicContact CG-CB 4.17Å; L250-C260 HydrophobicContact CD2-CB 3.65Å; Q253-C260 WeakPolarHBondContact CB-SG 3.42Å; Q253-C260 WeakPolarHBondContact CG-SG 3.46Å; C260-P262 WeakPolarHBondContact O-CD 3.48Å
261I98.8Very high98.6Very high9 Ų936.5 Ų36.55%0.04618%0.179CC..  trans-124.160.2179.250.1166.4000111.3G18 D45 Q184 T208 A209 K263G18-I261 WeakPolarHBondContact O-CA 3.44Å; D45-I261 HydrophobicContact CB-CB 4.11Å; D45-I261 HydrophobicContact CB-CD1 3.86Å; D45-I261 HydrophobicContact CB-CG2 3.83Å; D45-I261 WeakPolarHBondContact OD1-CD1 3.27Å; Q184-I261 HydrophobicContact CG-CD1 4.34Å; T208-I261 HydrophobicContact CG2-CD1 4.01Å; T208-I261 HydrophobicContact CG2-CG1 3.9Å; T208-I261 HydrophobicContact CG2-CG2 3.96Å; A209-I261 WeakPolarHBondContact O-CG1 3.22Å; A209-I261 PolarHBondContact O-N 2.9Å; I261-K263 PolarHBondContact O-N 3.05Å
262P98.5Very high98.5Very high2 Ų239 Ų391%0.01319%0.192CC..  trans-62.2127.1179.228.1-35.7000110.6G18 G20 P212 L213 L250 C260 N273G18-P262 WeakPolarHBondContact O-CD 3.31Å; G20-P262 PolarHBondContact N-O 3.44Å; P212-P262 HydrophobicContact CG-CB 4.07Å; L213-P262 HydrophobicContact CD1-CB 3.93Å; L213-P262 HydrophobicContact CG-CB 4.2Å; L250-P262 HydrophobicContact CD1-CB 4.36Å; L250-P262 HydrophobicContact CD1-CG 3.97Å; L250-P262 HydrophobicContact CD2-CB 4.09Å; L250-P262 HydrophobicContact CD2-CG 3.8Å; C260-P262 WeakPolarHBondContact O-CD 3.48Å; P262-N273 HydrophobicContact CG-CB 3.98Å
263K98.1Very high98.5Very high61 Ų6139.1 Ų39.127%0.26519%0.193SC..BIsolated β-bridgetrans-81.4135.4173.7-179.7-102.8-175.1168.10111G20 W22 K23 S24 I261G20-K263 WeakPolarHBondContact O-CA 3.36Å; G20-K263 WeakPolarHBondContact O-CB 3.41Å; G20-K263 WeakPolarHBondContact O-CG 3.35Å; W22-K263 WeakPolarHBondContact O-CD 3.44Å; W22-K263 WeakPolarHBondContact O-CE 3.5Å; W22-K263 VanDerWaalsContact O-CG 3.3Å; W22-K263 WeakPolarHBondContact O-CG 3.21Å; K23-K263 WeakPolarHBondContact O-CE 3.38Å; K23-K263 PolarHBondContact O-NZ 3.5Å; S24-K263 WeakPolarHBondContact OG-CE 3.39Å; I261-K263 PolarHBondContact O-N 3.05Å
264S97.9Very high98.5Very high9 Ų939.4 Ų39.46%0.06319%0.194CC..  trans-158.2145167.1-178.90000110.1T266 R269 I270S264-T266 PolarHBondContact OG-N 3.21Å; S264-T266 PolarHBondContact OG-O 2.91Å; S264-R269 WeakPolarHBondContact OG-CB 3.4Å; S264-I270 WeakPolarHBondContact O-CD1 3.32Å
265I97.7Very high98.5Very high55 Ų5544.3 Ų44.328%0.28222%0.215SC..  trans-105.8-6164.659.9171.6000111.7S24 Q28 A32 P267S24-I265 WeakPolarHBondContact OG-CG2 3.47Å; Q28-I265 HydrophobicContact CB-CD1 4.41Å; Q28-I265 HydrophobicContact CB-CG2 4.44Å; A32-I265 HydrophobicContact CB-CB 4.34Å; A32-I265 HydrophobicContact CB-CG2 4.09Å; I265-P267 WeakPolarHBondContact O-CD 3.46Å
266T98.3Very high98.5Very high48 Ų4841.9 Ų41.929%0.29420%0.204SC..  trans-84.1117-179.6-48.80000109.5S264 S268 R269 I270S264-T266 PolarHBondContact OG-N 3.21Å; S264-T266 PolarHBondContact OG-O 2.91Å; T266-S268 PolarHBondContact O-N 3.11Å; T266-R269 HydrophobicContact CG2-CG 4.21Å; T266-R269 PolarHBondContact O-N 2.69Å; T266-R269 VanDerWaalsContact O-N 3.07Å; T266-I270 WeakPolarHBondContact O-CG1 3.31Å; T266-I270 PolarHBondContact O-N 2.89Å
267P98.5Very high98.5Very high64 Ų6442.6 Ų42.642%0.41621%0.208SC..Hα-helixtrans-55.1-45.8-174.1-29.736.8000114.1Y35 I265 R269 I270 L271Y35-P267 HydrophobicContact CD1-CB 3.96Å; Y35-P267 HydrophobicContact CD2-CB 4.05Å; Y35-P267 HydrophobicContact CE1-CB 3.72Å; Y35-P267 WeakPolarHBondContact CE1-O 3.43Å; Y35-P267 HydrophobicContact CE2-CB 3.82Å; Y35-P267 HydrophobicContact CG-CB 4.12Å; I265-P267 WeakPolarHBondContact O-CD 3.46Å; P267-R269 VanDerWaalsContact C-N 3.3Å; P267-R269 PolarHBondContact O-N 3.39Å; P267-I270 PolarHBondContact O-N 3.3Å; P267-L271 PolarHBondContact O-N 3.07Å
268S98.5Very high98.4Very high69 Ų6941.1 Ų41.148%0.48321%0.207SC..Hα-helixtrans-59.4-39.4178.756.20000112.8T266 Q272T266-S268 PolarHBondContact O-N 3.11Å; S268-Q272 WeakPolarHBondContact O-CB 3.46Å; S268-Q272 VanDerWaalsContact O-CG 3.25Å; S268-Q272 WeakPolarHBondContact O-CG 3.46Å; S268-Q272 PolarHBondContact O-N 2.98Å
269R98.4Very high98.4Very high147 Ų14741.8 Ų41.856%0.55521%0.209SC*.Hα-helixtrans-72.5-39.2176.9-65177.2-177.4162.3-3.1111.9S264 T266 P267 L271 Q272 N273S264-R269 WeakPolarHBondContact OG-CB 3.4Å; T266-R269 HydrophobicContact CG2-CG 4.21Å; T266-R269 PolarHBondContact O-N 2.69Å; T266-R269 VanDerWaalsContact O-N 3.07Å; P267-R269 VanDerWaalsContact C-N 3.3Å; P267-R269 PolarHBondContact O-N 3.39Å; R269-L271 VanDerWaalsContact C-N 3.32Å; R269-L271 PolarHBondContact O-N 3.12Å; R269-Q272 PolarHBondContact O-N 3.15Å; R269-N273 VanDerWaalsContact O-CB 3.3Å; R269-N273 WeakPolarHBondContact O-CB 3.31Å; R269-N273 PolarHBondContact O-N 2.84Å; R269-N273 PolarHBondContact O-ND2 3.2Å; R269-N273 PolarHBondContact O-OD1 3.04Å
270I98.7Very high98.4Very high1 Ų146 Ų461%0.00524%0.235CC..Hα-helixtrans-57.1-48.9173.8-65.5168.1000109.4L19 A32 Y35 A36 V39 Y41 S264 T266 P267 Q272 N273L19-I270 HydrophobicContact CD1-CG1 4.35Å; A32-I270 HydrophobicContact CB-CD1 4.09Å; Y35-I270 HydrophobicContact CD1-CB 4.02Å; Y35-I270 HydrophobicContact CD1-CD1 4.2Å; Y35-I270 HydrophobicContact CD1-CG2 3.9Å; Y35-I270 HydrophobicContact CE1-CB 4.21Å; Y35-I270 HydrophobicContact CE1-CG2 4.3Å; A36-I270 HydrophobicContact CB-CG2 3.82Å; V39-I270 HydrophobicContact CG2-CG2 4.25Å; Y41-I270 HydrophobicContact CD2-CG2 4.22Å; Y41-I270 HydrophobicContact CE2-CG2 3.63Å; Y41-I270 WeakPolarHBondContact CE2-O 3.3Å; Y41-I270 PolarHBondContact OH-O 3.17Å; S264-I270 WeakPolarHBondContact O-CD1 3.32Å; T266-I270 WeakPolarHBondContact O-CG1 3.31Å; T266-I270 PolarHBondContact O-N 2.89Å; P267-I270 PolarHBondContact O-N 3.3Å; I270-Q272 PolarHBondContact O-N 3.14Å; I270-N273 PolarHBondContact O-N 2.92Å
271L98.7Very high98.4Very high50 Ų5046.3 Ų46.326%0.26224%0.236SC..Hα-helixtrans-63.5-41.3177.4178.963.3000112.9Y35 V39 P267 R269 I274 K275Y35-L271 HydrophobicContact CE1-CB 4.24Å; V39-L271 HydrophobicContact CB-CD1 3.82Å; V39-L271 HydrophobicContact CG1-CD1 4.03Å; V39-L271 HydrophobicContact CG2-CD1 4.29Å; P267-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact C-N 3.32Å; R269-L271 PolarHBondContact O-N 3.12Å; L271-I274 WeakPolarHBondContact O-CG2 3.37Å; L271-K275 HydrophobicContact CG-CD 4.5Å; L271-K275 WeakPolarHBondContact O-CG 3.4Å
272Q98.3Very high98.4Very high77 Ų7748.1 Ų48.136%0.3625%0.25SC..Hα-helixtrans-64.8-41.2178.1-77.3174.21.100112.1Q247 S268 R269 I270 I274 K275Q247-Q272 HydrophobicContact CG-CB 4.47Å; Q247-Q272 WeakPolarHBondContact CG-O 3.35Å; Q247-Q272 PolarHBondContact NE2-O 3.15Å; S268-Q272 WeakPolarHBondContact O-CB 3.46Å; S268-Q272 VanDerWaalsContact O-CG 3.25Å; S268-Q272 WeakPolarHBondContact O-CG 3.46Å; S268-Q272 PolarHBondContact O-N 2.98Å; R269-Q272 PolarHBondContact O-N 3.15Å; I270-Q272 PolarHBondContact O-N 3.14Å; Q272-I274 VanDerWaalsContact C-N 3.26Å; Q272-I274 PolarHBondContact O-N 3.26Å; Q272-K275 PolarHBondContact O-N 3.19Å
273N98.7Very high98.4Very high4 Ų453.6 Ų53.62%0.02129%0.285CS..Hα-helixtrans-64.9-26.3-173.3-73.3-10000113.6Y41 L250 P262 R269 I270Y41-N273 WeakPolarHBondContact OH-CB 3.19Å; L250-N273 HydrophobicContact CD1-CB 3.72Å; L250-N273 WeakPolarHBondContact CD1-O 3.21Å; P262-N273 HydrophobicContact CG-CB 3.98Å; R269-N273 VanDerWaalsContact O-CB 3.3Å; R269-N273 WeakPolarHBondContact O-CB 3.31Å; R269-N273 PolarHBondContact O-N 2.84Å; R269-N273 PolarHBondContact O-ND2 3.2Å; R269-N273 PolarHBondContact O-OD1 3.04Å; I270-N273 PolarHBondContact O-N 2.92Å
274I98.4Very high98.4Very high5 Ų555.5 Ų55.53%0.02630%0.295CS..Hα-helixtrans-86.8-16.6174.7-163.2159.7000113.4A2 A3 I17 Y41 L271 Q272 V276 F277A2-I274 HydrophobicContact CB-CD1 3.87Å; A2-I274 HydrophobicContact CB-CG1 4.16Å; A3-I274 HydrophobicContact CB-CD1 4.22Å; A3-I274 HydrophobicContact CB-CG1 4.18Å; I17-I274 HydrophobicContact CB-CG1 4.4Å; I17-I274 HydrophobicContact CG2-CB 4.24Å; I17-I274 HydrophobicContact CG2-CG1 4.23Å; Y41-I274 HydrophobicContact CD1-CD1 4.24Å; Y41-I274 HydrophobicContact CD2-CB 4.26Å; Y41-I274 HydrophobicContact CD2-CD1 3.58Å; Y41-I274 HydrophobicContact CD2-CG2 4.37Å; Y41-I274 HydrophobicContact CE1-CD1 4.42Å; Y41-I274 HydrophobicContact CE2-CB 3.56Å; Y41-I274 HydrophobicContact CE2-CD1 3.78Å; Y41-I274 HydrophobicContact CE2-CG1 4.25Å; Y41-I274 HydrophobicContact CE2-CG2 3.74Å; Y41-I274 HydrophobicContact CG-CD1 3.82Å; Y41-I274 PolarHBondContact OH-N 3.36Å; L271-I274 WeakPolarHBondContact O-CG2 3.37Å; Q272-I274 VanDerWaalsContact C-N 3.26Å; Q272-I274 PolarHBondContact O-N 3.26Å; I274-V276 VanDerWaalsContact C-N 3.3Å; I274-V276 PolarHBondContact O-N 3.32Å; I274-F277 WeakPolarHBondContact O-CD2 3.41Å; I274-F277 WeakPolarHBondContact O-CE2 3.32Å
275K98.4Very high98.5Very high107 Ų10755.3 Ų55.347%0.46529%0.293SS..  trans-85.467.5178.6-70.1-178.7175.8-174.80111.3Q247 L271 Q272Q247-K275 PolarHBondContact NE2-O 3.37Å; L271-K275 HydrophobicContact CG-CD 4.5Å; L271-K275 WeakPolarHBondContact O-CG 3.4Å; Q272-K275 PolarHBondContact O-N 3.19Å
276V98.6Very high98.5Very high0 Ų053.9 Ų53.90%029%0.286CS..  trans-129.312.5-177.7-62.10000113.5I17 Q247 L250 R251 V254 I274I17-V276 HydrophobicContact CD1-CG2 4.04Å; I17-V276 HydrophobicContact CG1-CG2 3.9Å; Q247-V276 HydrophobicContact CB-CG1 4.11Å; Q247-V276 HydrophobicContact CG-CG1 4.1Å; L250-V276 HydrophobicContact CB-CG1 3.86Å; R251-V276 HydrophobicContact CB-CB 4.49Å; R251-V276 WeakPolarHBondContact CD-O 3.45Å; R251-V276 PolarHBondContact NH1-O 3.12Å; R251-V276 VanDerWaalsContact NH1-O 3.11Å; V254-V276 HydrophobicContact CG1-CG2 4.29Å; V254-V276 HydrophobicContact CG2-CG2 4.1Å; I274-V276 VanDerWaalsContact C-N 3.3Å; I274-V276 PolarHBondContact O-N 3.32Å
277F98.3Very high98.6Very high57 Ų5757.8 Ų57.825%0.2530%0.299CS..SBendtrans-107.8-3.9-176.1-59.2-77.3000113.2A3 L16 I17 V254 I274A3-F277 VanDerWaalsContact CA-CE2 3.44Å; A3-F277 HydrophobicContact CB-CD2 4.41Å; A3-F277 HydrophobicContact CB-CE2 3.48Å; A3-F277 VanDerWaalsContact CB-CE2 3.48Å; A3-F277 HydrophobicContact CB-CZ 3.7Å; L16-F277 HydrophobicContact CB-CE1 4.06Å; L16-F277 HydrophobicContact CB-CZ 3.94Å; L16-F277 HydrophobicContact CD1-CE1 4.02Å; I17-F277 HydrophobicContact CG1-CE2 3.92Å; I17-F277 HydrophobicContact CG1-CZ 3.82Å; V254-F277 HydrophobicContact CB-CE1 4.21Å; V254-F277 HydrophobicContact CG1-CE1 4.34Å; V254-F277 HydrophobicContact CG1-CZ 4.36Å; V254-F277 HydrophobicContact CG2-CE1 4.33Å; I274-F277 WeakPolarHBondContact O-CD2 3.41Å; I274-F277 WeakPolarHBondContact O-CE2 3.32Å
278D97.6Very high98.6Very high96 Ų9658.6 Ų58.651%0.51330%0.297SS..SBendtrans-102.36.4-173.765-41.5000114R243R243-D278 IonicContact CZ-OD2 2.77Å; R243-D278 IonicContact NE-OD2 2.98Å; R243-D278 IonicContact NH2-OD2 3.81Å; R243-D278 PolarHBondContact NH2-OD2 2.8Å
279F98.6Very high98.6Very high17 Ų1755.3 Ų55.38%0.07527%0.274CS..  trans-145.3162.3172.669.5-77.1000110.7Y241 R243 Q247 I248 R251 F281Y241-F279 HydrophobicContact CD1-CB 3.97Å; Y241-F279 AromaticContact CD1-CD2 3.53Å; Y241-F279 HydrophobicContact CD1-CD2 3.53Å; Y241-F279 HydrophobicContact CD1-CE2 4.37Å; Y241-F279 HydrophobicContact CD1-CG 4.1Å; Y241-F279 HydrophobicContact CE1-CB 4.24Å; Y241-F279 AromaticContact CE1-CD2 3.86Å; Y241-F279 HydrophobicContact CE1-CD2 3.86Å; Y241-F279 AromaticContact CG-CD2 3.97Å; Y241-F279 HydrophobicContact CG-CD2 3.97Å; Y241-F279 HydrophobicContact CG-CE2 4.37Å; R243-F279 HydrophobicContact CG-CD1 4.25Å; R243-F279 HydrophobicContact CG-CE1 3.96Å; R243-F279 HydrophobicContact CG-CE2 4.49Å; R243-F279 HydrophobicContact CG-CZ 4.09Å; Q247-F279 HydrophobicContact CB-CZ 4.39Å; I248-F279 HydrophobicContact CD1-CE2 4.06Å; I248-F279 HydrophobicContact CD1-CZ 4.36Å; R251-F279 HydrophobicContact CB-CE1 4.16Å; R251-F279 HydrophobicContact CB-CE2 3.65Å; R251-F279 HydrophobicContact CB-CZ 3.37Å; R251-F279 WeakPolarHBondContact CD-O 3.49Å; R251-F279 HydrophobicContact CG-CD2 4.03Å; R251-F279 HydrophobicContact CG-CE1 4.36Å; R251-F279 HydrophobicContact CG-CE2 3.49Å; R251-F279 VanDerWaalsContact CG-CE2 3.49Å; R251-F279 HydrophobicContact CG-CZ 3.69Å; R251-F279 PolarHBondContact NE-O 3.5Å; R251-F279 PolarHBondContact NH1-O 3.13Å; R251-F279 PolarHBondContact NH2-O 3.12Å; F279-F281 HydrophobicContact CD2-CE1 4.27Å; F279-F281 AromaticContact CE2-CE1 3.76Å; F279-F281 HydrophobicContact CE2-CE1 3.76Å; F279-F281 AromaticContact CE2-CZ 3.76Å; F279-F281 HydrophobicContact CE2-CZ 3.76Å
280T98.7Very high98.6Very high89 Ų8951.2 Ų51.255%0.54626%0.263SS..  trans-139.6136.4-176.1-64.30000110.1Y241 R251Y241-T280 PolarHBondContact OH-O 3.42Å; R251-T280 PolarHBondContact NH2-OG1 3.02Å
281F98.8Very high98.6Very high5 Ų555.1 Ų55.12%0.02230%0.296CS..  trans-80.2138.5172-63.6-46.3000110.7Y241 I248 R251 W252 Q255 F279 E285 M286 L289Y241-F281 HydrophobicContact CD2-CD1 4.33Å; Y241-F281 AromaticContact CD2-CE1 3.97Å; Y241-F281 HydrophobicContact CD2-CE1 3.97Å; Y241-F281 AromaticContact CE2-CD1 3.61Å; Y241-F281 HydrophobicContact CE2-CD1 3.61Å; Y241-F281 AromaticContact CE2-CE1 3.72Å; Y241-F281 HydrophobicContact CE2-CE1 3.72Å; Y241-F281 AromaticContact CZ-CD1 3.78Å; I248-F281 HydrophobicContact CB-CZ 4.26Å; I248-F281 HydrophobicContact CD1-CE1 3.99Å; I248-F281 HydrophobicContact CD1-CZ 3.89Å; I248-F281 HydrophobicContact CG2-CE1 4.44Å; I248-F281 HydrophobicContact CG2-CE2 4.49Å; I248-F281 HydrophobicContact CG2-CZ 3.74Å; R251-F281 HydrophobicContact CB-CD2 4.44Å; R251-F281 HydrophobicContact CB-CE2 3.62Å; R251-F281 HydrophobicContact CB-CZ 3.88Å; R251-F281 HydrophobicContact CG-CD2 3.74Å; R251-F281 HydrophobicContact CG-CE1 4.5Å; R251-F281 HydrophobicContact CG-CE2 3.38Å; R251-F281 HydrophobicContact CG-CG 4.44Å; R251-F281 HydrophobicContact CG-CZ 3.79Å; W252-F281 HydrophobicContact CB-CE2 4.14Å; Q255-F281 PolarHBondContact NE2-O 3.41Å; F279-F281 HydrophobicContact CD2-CE1 4.27Å; F279-F281 AromaticContact CE2-CE1 3.76Å; F279-F281 HydrophobicContact CE2-CE1 3.76Å; F279-F281 AromaticContact CE2-CZ 3.76Å; F279-F281 HydrophobicContact CE2-CZ 3.76Å; F281-E285 HydrophobicContact CB-CB 4.09Å; F281-E285 HydrophobicContact CD1-CB 4.41Å; F281-E285 HydrophobicContact CG-CB 4.49Å; F281-M286 HydrophobicContact CB-CG 3.92Å; F281-M286 HydrophobicContact CB-SD 3.88Å; F281-M286 HydrophobicContact CD2-SD 3.78Å; F281-M286 HydrophobicContact CG-SD 4.3Å; F281-L289 HydrophobicContact CD2-CD1 4.11Å; F281-L289 HydrophobicContact CE2-CD1 3.85Å; F281-L289 HydrophobicContact CZ-CD1 4.31Å
282S98.8Very high98.6Very high47 Ų4754 Ų5433%0.32929%0.29SS..  trans-64.5163.4166.8680000111.5E284 E285 M286S282-E284 PolarHBondContact O-N 3.34Å; S282-E285 VanDerWaalsContact CB-OE2 3.22Å; S282-E285 WeakPolarHBondContact CB-OE2 3.41Å; S282-E285 PolarHBondContact N-OE2 3.47Å; S282-E285 PolarHBondContact O-N 2.94Å; S282-E285 VanDerWaalsContact OG-CD 3.23Å; S282-E285 VanDerWaalsContact OG-CG 3.29Å; S282-E285 WeakPolarHBondContact OG-CG 3.34Å; S282-E285 PolarHBondContact OG-N 2.95Å; S282-E285 PolarHBondContact OG-OE2 2.78Å; S282-M286 PolarHBondContact O-N 3.2Å
283P98.7Very high98.6Very high117 Ų11752.7 Ų52.776%0.7629%0.285SS*.Hα-helixtrans-56.2-36.9175.8-26.936.1000113.8M286 K287P283-M286 PolarHBondContact O-N 3.26Å; P283-K287 PolarHBondContact O-N 2.8Å
284E98.7Very high98.5Very high102 Ų10256.8 Ų56.848%0.47730%0.303SS..Hα-helixtrans-71.3-38.2179.9-170.957.6-148.700111.8S282 K287 Q288S282-E284 PolarHBondContact O-N 3.34Å; E284-K287 WeakPolarHBondContact O-CB 3.29Å; E284-K287 PolarHBondContact O-N 2.67Å; E284-K287 VanDerWaalsContact O-N 3.14Å; E284-Q288 WeakPolarHBondContact O-CG 3.47Å; E284-Q288 PolarHBondContact O-N 2.72Å
285E98.8Very high98.5Very high5 Ų562.4 Ų62.42%0.02333%0.333CS..Hα-helixtrans-68.9-36.7176.1-65.9162.5136.700111.7L237 K240 Y241 F281 S282 K287 Q288 L289L237-E285 HydrophobicContact CD2-CB 4.06Å; L237-E285 HydrophobicContact CD2-CG 3.73Å; K240-E285 WeakPolarHBondContact CD-OE1 3.32Å; K240-E285 VanDerWaalsContact CE-OE1 3.26Å; K240-E285 WeakPolarHBondContact CE-OE1 3.36Å; K240-E285 IonicContact NZ-OE1 3.94Å; K240-E285 PolarHBondContact NZ-OE1 2.85Å; Y241-E285 WeakPolarHBondContact CE2-OE1 2.99Å; Y241-E285 PolarHBondContact OH-OE1 3.27Å; Y241-E285 PolarHBondContact OH-OE2 3.38Å; F281-E285 HydrophobicContact CB-CB 4.09Å; F281-E285 HydrophobicContact CD1-CB 4.41Å; F281-E285 HydrophobicContact CG-CB 4.49Å; S282-E285 VanDerWaalsContact CB-OE2 3.22Å; S282-E285 WeakPolarHBondContact CB-OE2 3.41Å; S282-E285 PolarHBondContact N-OE2 3.47Å; S282-E285 PolarHBondContact O-N 2.94Å; S282-E285 VanDerWaalsContact OG-CD 3.23Å; S282-E285 VanDerWaalsContact OG-CG 3.29Å; S282-E285 WeakPolarHBondContact OG-CG 3.34Å; S282-E285 PolarHBondContact OG-N 2.95Å; S282-E285 PolarHBondContact OG-OE2 2.78Å; E285-K287 VanDerWaalsContact C-N 3.29Å; E285-K287 PolarHBondContact O-N 3.5Å; E285-Q288 PolarHBondContact O-N 2.71Å; E285-L289 PolarHBondContact O-N 3.32Å; E285-L289 VanDerWaalsContact O-N 3.09Å
286M98.8Very high98.4Very high24 Ų2461.9 Ų61.912%0.11833%0.328CS..Hα-helixtrans-59.6-42.5169.1-72.2-61.2-63.800111W252 Q255 R256 F281 S282 P283 L289 N290W252-M286 HydrophobicContact CG-CE 4.42Å; Q255-M286 HydrophobicContact CB-SD 4.36Å; Q255-M286 HydrophobicContact CG-CE 4.49Å; Q255-M286 HydrophobicContact CG-SD 4.2Å; Q255-M286 VanDerWaalsContact NE2-CG 3.31Å; Q255-M286 PolarHBondContact NE2-SD 2.56Å; Q255-M286 VanDerWaalsContact NE2-SD 3.44Å; R256-M286 HydrophobicContact CG-CE 3.69Å; F281-M286 HydrophobicContact CB-CG 3.92Å; F281-M286 HydrophobicContact CB-SD 3.88Å; F281-M286 HydrophobicContact CD2-SD 3.78Å; F281-M286 HydrophobicContact CG-SD 4.3Å; S282-M286 PolarHBondContact O-N 3.2Å; P283-M286 PolarHBondContact O-N 3.26Å; M286-L289 PolarHBondContact O-N 3.12Å; M286-N290 WeakPolarHBondContact O-CB 3.22Å; M286-N290 PolarHBondContact O-N 3.02Å; M286-N290 PolarHBondContact O-ND2 3.44Å; M286-N290 PolarHBondContact O-OD1 3.31Å
287K98.6Very high98.2Very high130 Ų13064.7 Ų64.757%0.56534%0.338SS*.Hα-helixtrans-63.6-41.6177-174.6-173.9174.2-167.20112.2P283 E284 E285 L289 N290 A291P283-K287 PolarHBondContact O-N 2.8Å; E284-K287 WeakPolarHBondContact O-CB 3.29Å; E284-K287 PolarHBondContact O-N 2.67Å; E284-K287 VanDerWaalsContact O-N 3.14Å; E285-K287 VanDerWaalsContact C-N 3.29Å; E285-K287 PolarHBondContact O-N 3.5Å; K287-L289 PolarHBondContact O-N 2.98Å; K287-N290 PolarHBondContact O-N 2.89Å; K287-A291 PolarHBondContact O-N 3.02Å
288Q98.8Very high98Very high81 Ų8162.2 Ų62.238%0.37933%0.327SS..Hα-helixtrans-59.2-45.9175.6-70.9171.311.500111.8V233 E284 E285 A291V233-Q288 HydrophobicContact CG2-CB 3.85Å; E284-Q288 WeakPolarHBondContact O-CG 3.47Å; E284-Q288 PolarHBondContact O-N 2.72Å; E285-Q288 PolarHBondContact O-N 2.71Å; Q288-A291 PolarHBondContact O-N 2.95Å
289L98.8Very high97.9Very high0 Ų058.4 Ų58.40%031%0.307CS..Hα-helixtrans-68.4-37.5176.6-71167.3000112.4V233 V234 L237 I248 W252 F281 E285 M286 K287 A291 L292V233-L289 HydrophobicContact CG1-CD2 4.39Å; V234-L289 HydrophobicContact CG2-CD2 4.08Å; L237-L289 HydrophobicContact CD1-CD1 3.76Å; L237-L289 HydrophobicContact CD1-CD2 3.97Å; L237-L289 HydrophobicContact CD1-CG 3.77Å; I248-L289 HydrophobicContact CG2-CD1 4.39Å; I248-L289 HydrophobicContact CG2-CD2 4.39Å; W252-L289 HydrophobicContact CB-CD1 3.96Å; W252-L289 HydrophobicContact CG-CB 4.24Å; W252-L289 HydrophobicContact CG-CD1 4.01Å; F281-L289 HydrophobicContact CD2-CD1 4.11Å; F281-L289 HydrophobicContact CE2-CD1 3.85Å; F281-L289 HydrophobicContact CZ-CD1 4.31Å; E285-L289 PolarHBondContact O-N 3.32Å; E285-L289 VanDerWaalsContact O-N 3.09Å; M286-L289 PolarHBondContact O-N 3.12Å; K287-L289 PolarHBondContact O-N 2.98Å; L289-A291 VanDerWaalsContact C-N 3.25Å; L289-A291 PolarHBondContact O-N 2.6Å; L289-L292 HydrophobicContact CD2-CD1 4.24Å; L289-L292 VanDerWaalsContact O-CB 3.32Å; L289-L292 WeakPolarHBondContact O-CB 3.39Å; L289-L292 PolarHBondContact O-N 2.65Å
290N98.3Very high97.7Very high62 Ų6259 Ų5933%0.33231%0.312SS..Hα-helixtrans-64.2-31.3176.3-68.4-12.2000112.3W252 M286 K287 L292 N293W252-N290 PolarHBondContact NE1-OD1 2.9Å; M286-N290 WeakPolarHBondContact O-CB 3.22Å; M286-N290 PolarHBondContact O-N 3.02Å; M286-N290 PolarHBondContact O-ND2 3.44Å; M286-N290 PolarHBondContact O-OD1 3.31Å; K287-N290 PolarHBondContact O-N 2.89Å; N290-L292 PolarHBondContact O-N 2.9Å; N290-N293 PolarHBondContact O-N 3Å
291A98.5Very high97.3Very high83 Ų8355.5 Ų55.569%0.68629%0.291SS*.THydrogen-bonded Turntrans-67.8-12.6177.700000113.5K287 Q288 L289 N293K287-A291 PolarHBondContact O-N 3.02Å; Q288-A291 PolarHBondContact O-N 2.95Å; L289-A291 VanDerWaalsContact C-N 3.25Å; L289-A291 PolarHBondContact O-N 2.6Å; A291-N293 PolarHBondContact O-N 2.9Å
292L98.6Very high96.8Very high27 Ų2757.9 Ų57.914%0.14130%0.302CS..THydrogen-bonded Turntrans-73-11.7174.4-63.8-179.4000113.5P189 Y190 E231 V233 V234 L289 N290 K294P189-L292 HydrophobicContact CB-CB 3.87Å; P189-L292 HydrophobicContact CB-CD1 3.7Å; P189-L292 HydrophobicContact CB-CG 4.41Å; P189-L292 CarbonylContact O-C 3.59Å; Y190-L292 HydrophobicContact CD1-CB 4.15Å; Y190-L292 WeakPolarHBondContact CD1-O 3.43Å; Y190-L292 HydrophobicContact CE1-CB 4.43Å; E231-L292 HydrophobicContact CG-CD1 4.43Å; V233-L292 HydrophobicContact CG1-CD1 3.56Å; V233-L292 HydrophobicContact CG1-CD2 3.73Å; V233-L292 HydrophobicContact CG1-CG 3.89Å; V234-L292 HydrophobicContact CG2-CD1 4.26Å; L289-L292 HydrophobicContact CD2-CD1 4.24Å; L289-L292 VanDerWaalsContact O-CB 3.32Å; L289-L292 WeakPolarHBondContact O-CB 3.39Å; L289-L292 PolarHBondContact O-N 2.65Å; N290-L292 PolarHBondContact O-N 2.9Å; L292-K294 PolarHBondContact O-N 2.79Å
293N98.6Very high96.1Very high48 Ų4857.1 Ų57.126%0.25729%0.294SS..  trans-61.4124.8-177.3-171.746.4000111.1P189 Y190 A192 N290 A291P189-N293 WeakPolarHBondContact O-CA 3.25Å; P189-N293 PolarHBondContact O-N 3.41Å; P189-N293 VanDerWaalsContact O-N 3.13Å; Y190-N293 PolarHBondContact O-OD1 3.47Å; A192-N293 HydrophobicContact CB-CB 4Å; A192-N293 PolarHBondContact N-OD1 3.14Å; N290-N293 PolarHBondContact O-N 3Å; A291-N293 PolarHBondContact O-N 2.9Å
294K97.8Very high95.3Very high91 Ų9157 Ų5740%0.39629%0.285SS..  trans-143.520.6-177.461.2-177.9176.4-1580112.7Y190 E231 L292 W296Y190-K294 HydrophobicContact CD1-CD 4.21Å; Y190-K294 VanDerWaalsContact CD1-CE 3.4Å; Y190-K294 HydrophobicContact CD1-CG 4.28Å; Y190-K294 HydrophobicContact CE1-CD 4.5Å; Y190-K294 VanDerWaalsContact CE1-CE 3.49Å; Y190-K294 VanDerWaalsContact CE1-NZ 3.26Å; Y190-K294 HydrophobicContact CG-CD 4.43Å; Y190-K294 VanDerWaalsContact CG-CE 3.46Å; Y190-K294 HydrophobicContact CG-CG 4.29Å; Y190-K294 CarbonylContact O-C 3.42Å; Y190-K294 PolarHBondContact O-N 2.94Å; Y190-K294 PolarHBondContact OH-NZ 3.12Å; E231-K294 IonicContact OE1-NZ 3.77Å; L292-K294 PolarHBondContact O-N 2.79Å; K294-W296 HydrophobicContact CG-CB 4.03Å; K294-W296 PolarHBondContact O-N 2.73Å
295N97.3Very high94.1Very high122 Ų12254.6 Ų54.665%0.65228%0.278SS*.  trans51.635.7-178.2-62.1-20.4000113.5Y190 R297Y190-N295 PolarHBondContact O-N 3.38Å; N295-R297 PolarHBondContact O-N 3.38Å
296W96.1Very high93.2Very high96 Ų9662.1 Ų62.136%0.36432%0.318SS..  trans-88.4108.8-178.9-167.3-79.6000111.3H188 Y190 L191 E225 K294 Y298H188-W296 PolarHBondContact CE1-O 2.99Å; Y190-W296 HydrophobicContact CD2-CB 4.45Å; Y190-W296 PolarHBondContact O-N 3.46Å; L191-W296 WeakPolarHBondContact CB-O 3.12Å; E225-W296 HydrophobicContact CB-CZ2 4.2Å; E225-W296 HydrophobicContact CG-CZ2 3.73Å; E225-W296 WeakPolarHBondContact OE1-CZ2 3.19Å; E225-W296 PolarHBondContact OE1-NE1 2.9Å; K294-W296 HydrophobicContact CG-CB 4.03Å; K294-W296 PolarHBondContact O-N 2.73Å; W296-Y298 AromaticContact CD1-CD1 3.4Å; W296-Y298 AromaticContact CD1-CE1 3.24Å; W296-Y298 AromaticContact CD1-CG 3.96Å; W296-Y298 AromaticContact CD1-CZ 3.65Å; W296-Y298 HydrophobicContact CG-CE1 4.44Å; W296-Y298 AromaticContact NE1-CD1 3.2Å; W296-Y298 AromaticContact NE1-CE1 3.1Å; W296-Y298 AromaticContact NE1-CZ 3.97Å
297R95.9Very high92.3Very high59 Ų5964.1 Ų64.122%0.22335%0.345CS..  trans-100.2118.8177.4-172.6-178.9-66.8-78.22.9110.7E186 L191 N295 V300E186-R297 WeakPolarHBondContact OE2-CG 3.43Å; L191-R297 HydrophobicContact CD2-CB 4.08Å; L191-R297 HydrophobicContact CD2-CG 4.13Å; N295-R297 PolarHBondContact O-N 3.38Å; R297-V300 HydrophobicContact CG-CG2 4.1Å
298Y94.3Very high91.5Very high5 Ų565.4 Ų65.42%0.0235%0.35CS..  trans-85.8-34.9176.6-62.1-64.1000113.5E186 H188 Y190 R218 W220 P226 W296 V300E186-Y298 WeakPolarHBondContact OE1-CA 3.36Å; E186-Y298 VanDerWaalsContact OE1-CB 3.28Å; E186-Y298 WeakPolarHBondContact OE1-CB 3.43Å; E186-Y298 PolarHBondContact OE1-N 2.91Å; H188-Y298 AromaticContact CE1-CD2 3.64Å; H188-Y298 AromaticContact CE1-CE2 3.58Å; H188-Y298 AromaticContact NE2-CD2 3.3Å; H188-Y298 VanDerWaalsContact NE2-CD2 3.3Å; H188-Y298 WeakPolarHBondContact NE2-CD2 3.45Å; H188-Y298 AromaticContact NE2-CE2 3.65Å; Y190-Y298 HydrophobicContact CD2-CE2 4.15Å; Y190-Y298 AromaticContact CD2-CZ 3.89Å; Y190-Y298 WeakPolarHBondContact CD2-OH 3.49Å; Y190-Y298 WeakPolarHBondContact CE2-OH 3.42Å; R218-Y298 VanDerWaalsContact NH1-CD1 3.26Å; W220-Y298 PolarHBondContact NE1-O 2.91Å; P226-Y298 PolarHBondContact O-OH 3.24Å; W296-Y298 AromaticContact CD1-CD1 3.4Å; W296-Y298 AromaticContact CD1-CE1 3.24Å; W296-Y298 AromaticContact CD1-CG 3.96Å; W296-Y298 AromaticContact CD1-CZ 3.65Å; W296-Y298 HydrophobicContact CG-CE1 4.44Å; W296-Y298 AromaticContact NE1-CD1 3.2Å; W296-Y298 AromaticContact NE1-CE1 3.1Å; W296-Y298 AromaticContact NE1-CZ 3.97Å; Y298-V300 PolarHBondContact O-N 3.21Å
299I94.6Very high90.7Very high17 Ų1767.8 Ų67.89%0.08736%0.356CS..  trans-95.579-173.7-48.6-53.6000109.5W22 E186 Y210 S211W22-I299 HydrophobicContact CH2-CD1 4.22Å; W22-I299 HydrophobicContact CZ3-CD1 4.11Å; E186-I299 PolarHBondContact OE1-N 3.16Å; E186-I299 WeakPolarHBondContact OE2-CA 3.35Å; E186-I299 VanDerWaalsContact OE2-CB 3.27Å; E186-I299 WeakPolarHBondContact OE2-CB 3.49Å; E186-I299 PolarHBondContact OE2-N 2.9Å; Y210-I299 HydrophobicContact CD2-CG1 4.34Å; Y210-I299 HydrophobicContact CE2-CB 3.78Å; Y210-I299 HydrophobicContact CE2-CG1 3.69Å; Y210-I299 HydrophobicContact CE2-CG2 4.07Å; S211-I299 WeakPolarHBondContact OG-CG1 3.48Å
300V94Very high90Very high30 Ų3070.4 Ų70.418%0.18237%0.372CS..  trans-106.6125.4167.21790000107.3R297 Y298 M302 P311R297-V300 HydrophobicContact CG-CG2 4.1Å; Y298-V300 PolarHBondContact O-N 3.21Å; V300-M302 HydrophobicContact CB-SD 4.11Å; V300-M302 HydrophobicContact CG1-SD 3.76Å; V300-M302 WeakPolarHBondContact O-CG 3.45Å; V300-M302 PolarHBondContact O-N 2.69Å; V300-P311 HydrophobicContact CG1-CB 4.09Å; V300-P311 HydrophobicContact CG1-CG 4.48Å
301P90.6Very high89.7Confident14 Ų1470.7 Ų70.79%0.09138%0.377CS..  trans-60.5123172.3-23.234000110.1W114 R312W114-P301 HydrophobicContact CH2-CG 3.61Å; W114-P301 HydrophobicContact CZ2-CG 3.75Å; W114-P301 HydrophobicContact CZ3-CG 4.3Å; P301-R312 HydrophobicContact CB-CB 4.17Å; P301-R312 WeakPolarHBondContact O-CB 3.09Å; P301-R312 PolarHBondContact O-N 3.28Å
302M88.8Confident89.4Confident55 Ų5568.5 Ų68.527%0.27135%0.351SS..EExtended strand (participates in β ladder)trans-114151.9-177.6-56.5-58.6-77.200111.2W220 V300 R309 V310 P311W220-M302 HydrophobicContact CG-CG 4.27Å; V300-M302 HydrophobicContact CB-SD 4.11Å; V300-M302 HydrophobicContact CG1-SD 3.76Å; V300-M302 WeakPolarHBondContact O-CG 3.45Å; V300-M302 PolarHBondContact O-N 2.69Å; M302-R309 HydrophobicContact CE-CB 3.88Å; M302-V310 WeakPolarHBondContact CA-O 3.3Å; M302-P311 HydrophobicContact SD-CG 4.45Å
303L84.2Confident89.2Confident31 Ų3167.2 Ų67.216%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-125.6156.2163.7-82.4177.4000110.4I133 V305 R309 V310 R312I133-L303 HydrophobicContact CG1-CD1 4.44Å; L303-V305 HydrophobicContact CB-CG2 4.48Å; L303-R309 WeakPolarHBondContact O-CA 3.47Å; L303-V310 PolarHBondContact N-O 3.29Å; L303-V310 PolarHBondContact O-N 3.29Å; L303-R312 HydrophobicContact CB-CB 4.43Å; L303-R312 HydrophobicContact CD1-CB 4.25Å; L303-R312 HydrophobicContact CD1-CG 3.51Å; L303-R312 HydrophobicContact CG-CB 3.92Å; L303-R312 HydrophobicContact CG-CG 3.56Å
304M80.7Confident89Confident114 Ų11466.4 Ų66.456%0.56234%0.344SS*.EExtended strand (participates in β ladder)trans-90.5119.8165.7-70.9-63.5-61.100108.6G307 K308 R309M304-G307 WeakPolarHBondContact CE-O 3.46Å; M304-K308 WeakPolarHBondContact CA-O 3.47Å; M304-R309 HydrophobicContact SD-CB 4.36Å; M304-R309 HydrophobicContact SD-CG 3.29Å; M304-R309 WeakPolarHBondContact SD-CG 3.37Å
305V74.9Confident88.9Confident53 Ų5365.9 Ų65.932%0.32137%0.365SS..EExtended strand (participates in β ladder)trans-128.1122.4172.9-178.80000106.9L303 G307 K308 V310L303-V305 HydrophobicContact CB-CG2 4.48Å; V305-G307 VanDerWaalsContact C-N 3.25Å; V305-G307 PolarHBondContact O-N 3.35Å; V305-G307 VanDerWaalsContact O-N 3.16Å; V305-K308 PolarHBondContact N-O 3.45Å; V305-K308 PolarHBondContact O-N 2.92Å; V305-K308 VanDerWaalsContact O-O 3.11Å; V305-V310 HydrophobicContact CB-CG2 4.12Å; V305-V310 HydrophobicContact CG2-CG2 3.71Å
306D79.9Confident88.9Confident162 Ų16261.2 Ų61.287%0.86634%0.339SS*.THydrogen-bonded Turntrans49.142-179.1-57.1-32.3000114.5K308D306-K308 PolarHBondContact O-N 2.78Å
307G79.7Confident88.9Confident67 Ų6762 Ų6269%0.69136%0.356SS*.THydrogen-bonded Turntrans74.92.5179.800000115M304 V305M304-G307 WeakPolarHBondContact CE-O 3.46Å; V305-G307 VanDerWaalsContact C-N 3.25Å; V305-G307 PolarHBondContact O-N 3.35Å; V305-G307 VanDerWaalsContact O-N 3.16Å
308K80.9Confident89.1Confident156 Ų15660.7 Ų60.768%0.67835%0.354SS*.EExtended strand (participates in β ladder)trans-109.4143.6174.5-66.6-179-179.4176.80111.3M304 V305 D306M304-K308 WeakPolarHBondContact CA-O 3.47Å; V305-K308 PolarHBondContact N-O 3.45Å; V305-K308 PolarHBondContact O-N 2.92Å; V305-K308 VanDerWaalsContact O-O 3.11Å; D306-K308 PolarHBondContact O-N 2.78Å
309R81.8Confident89.3Confident131 Ų13161 Ų6149%0.49436%0.355SS..EExtended strand (participates in β ladder)trans-82124.6170.5-73.3-177.5-175.9159.91.1109.3W220 M302 L303 M304W220-R309 VanDerWaalsContact C-NH1 3.3Å; W220-R309 PolarHBondContact O-NH1 3.05Å; M302-R309 HydrophobicContact CE-CB 3.88Å; L303-R309 WeakPolarHBondContact O-CA 3.47Å; M304-R309 HydrophobicContact SD-CB 4.36Å; M304-R309 HydrophobicContact SD-CG 3.29Å; M304-R309 WeakPolarHBondContact SD-CG 3.37Å
310V85.6Confident89.4Confident56 Ų5660.3 Ų60.334%0.33935%0.351SS..EExtended strand (participates in β ladder)trans-126.7148.6175.4-62.90000109.9M302 L303 V305 R312M302-V310 WeakPolarHBondContact CA-O 3.3Å; L303-V310 PolarHBondContact N-O 3.29Å; L303-V310 PolarHBondContact O-N 3.29Å; V305-V310 HydrophobicContact CB-CG2 4.12Å; V305-V310 HydrophobicContact CG2-CG2 3.71Å; V310-R312 PolarHBondContact O-N 2.93Å
311P91Very high89.6Confident67 Ų6760.8 Ų60.844%0.43535%0.351SS..EExtended strand (participates in β ladder)trans-56.2122.3169.9-25.235.6000110.2V300 M302 A314V300-P311 HydrophobicContact CG1-CB 4.09Å; V300-P311 HydrophobicContact CG1-CG 4.48Å; M302-P311 HydrophobicContact SD-CG 4.45Å; P311-A314 HydrophobicContact CB-CB 3.56Å; P311-A314 HydrophobicContact CG-CB 4.44Å
312R92.1Very high90Very high38 Ų3865 Ų6514%0.14337%0.373CS..SBendtrans-63.8-47.3-174.7-178.6179.980.1-164.5-7.6112.3I133 Y135 P301 L303 V310I133-R312 VanDerWaalsContact CG1-CD 3.47Å; I133-R312 HydrophobicContact CG1-CG 3.71Å; Y135-R312 PolarHBondContact OH-O 3.16Å; Y135-R312 VanDerWaalsContact OH-O 3.07Å; P301-R312 HydrophobicContact CB-CB 4.17Å; P301-R312 WeakPolarHBondContact O-CB 3.09Å; P301-R312 PolarHBondContact O-N 3.28Å; L303-R312 HydrophobicContact CB-CB 4.43Å; L303-R312 HydrophobicContact CD1-CB 4.25Å; L303-R312 HydrophobicContact CD1-CG 3.51Å; L303-R312 HydrophobicContact CG-CB 3.92Å; L303-R312 HydrophobicContact CG-CG 3.56Å; V310-R312 PolarHBondContact O-N 2.93Å
313D95.3Very high90.4Very high0 Ų065.1 Ų65.10%037%0.374CS..SBendtrans-113.83-166-51.7-45000113.1Y116 Y135 G315 H316 Y319Y116-D313 HydrophobicContact CE1-CB 4.39Å; Y116-D313 HydrophobicContact CE2-CB 3.92Å; Y116-D313 WeakPolarHBondContact CE2-OD2 3.1Å; Y116-D313 WeakPolarHBondContact OH-CB 3.38Å; Y116-D313 VanDerWaalsContact OH-CG 3.31Å; Y116-D313 PolarHBondContact OH-OD2 3.3Å; Y135-D313 PolarHBondContact OH-OD1 2.93Å; Y135-D313 VanDerWaalsContact OH-OD1 3.12Å; D313-G315 PolarHBondContact O-N 2.61Å; D313-G315 VanDerWaalsContact O-N 3.14Å; D313-H316 WeakPolarHBondContact O-CB 3.44Å; D313-H316 PolarHBondContact O-N 3.49Å; D313-Y319 HydrophobicContact CB-CD2 3.85Å; D313-Y319 HydrophobicContact CB-CE2 3.93Å; D313-Y319 WeakPolarHBondContact O-CD2 3.12Å
314A94.6Very high91Very high31 Ų3169.7 Ų69.726%0.25641%0.406SS..THydrogen-bonded Turntrans-63.5-24.7-170.700000114.3P311 H316 Y319 N322P311-A314 HydrophobicContact CB-CB 3.56Å; P311-A314 HydrophobicContact CG-CB 4.44Å; A314-H316 VanDerWaalsContact C-N 3.32Å; A314-Y319 HydrophobicContact CB-CD1 4.33Å; A314-Y319 HydrophobicContact CB-CE1 4.01Å; A314-N322 PolarHBondContact O-ND2 3.03Å
315G94.3Very high91.4Very high80 Ų8069.7 Ų69.783%0.82540%0.401SS*.THydrogen-bonded Turntrans-81.5-6.1174.500000114.5D313D313-G315 PolarHBondContact O-N 2.61Å; D313-G315 VanDerWaalsContact O-N 3.14Å
316H97.5Very high92.3Very high23 Ų2370.6 Ų70.611%0.10641%0.405CS..SBendtrans-69.9134.4-179.4-168.6-84.8000110.5Y116 Y135 D313 A314 L318 Y319Y116-H316 WeakPolarHBondContact CB-CE1 3.06Å; Y116-H316 WeakPolarHBondContact CB-ND1 3.34Å; Y135-H316 AromaticContact CD1-CD2 3.43Å; Y135-H316 VanDerWaalsContact CD1-CD2 3.43Å; Y135-H316 WeakPolarHBondContact CD1-CD2 3.39Å; Y135-H316 AromaticContact CD1-NE2 3.99Å; Y135-H316 AromaticContact CE1-CD2 3.76Å; Y135-H316 AromaticContact CG-CD2 3.68Å; D313-H316 WeakPolarHBondContact O-CB 3.44Å; D313-H316 PolarHBondContact O-N 3.49Å; A314-H316 VanDerWaalsContact C-N 3.32Å; H316-L318 PolarHBondContact ND1-N 2.92Å; H316-L318 PolarHBondContact O-N 2.81Å; H316-L318 VanDerWaalsContact O-N 3.11Å; H316-Y319 WeakPolarHBondContact O-CB 3.24Å; H316-Y319 PolarHBondContact O-N 3.49Å
317P97.2Very high92.9Very high112 Ų11265.7 Ų65.773%0.72738%0.38SS*.THydrogen-bonded Turntrans-60.2-26.5-178.2-26.435000114.6
318L98.3Very high93.6Very high32 Ų3265.7 Ų65.717%0.16836%0.363CS..THydrogen-bonded Turntrans-96.615.3175.8-50.1-179.2000113.1P115 Y140 Q168 H316P115-L318 WeakPolarHBondContact CG-O 3.46Å; Y140-L318 HydrophobicContact CD1-CD1 4.07Å; Y140-L318 HydrophobicContact CE1-CD1 4.26Å; Y140-L318 HydrophobicContact CE1-CD2 4.15Å; Q168-L318 PolarHBondContact NE2-O 3.02Å; H316-L318 PolarHBondContact ND1-N 2.92Å; H316-L318 PolarHBondContact O-N 2.81Å; H316-L318 VanDerWaalsContact O-N 3.11Å
319Y98.6Very high94.4Very high13 Ų1360.4 Ų60.45%0.05135%0.345CS..  trans-65.6124.9178.8-171.4-110.6000110.7Y116 D313 A314 H316 F321 N322Y116-Y319 HydrophobicContact CE1-CD2 4.04Å; D313-Y319 HydrophobicContact CB-CD2 3.85Å; D313-Y319 HydrophobicContact CB-CE2 3.93Å; D313-Y319 WeakPolarHBondContact O-CD2 3.12Å; A314-Y319 HydrophobicContact CB-CD1 4.33Å; A314-Y319 HydrophobicContact CB-CE1 4.01Å; H316-Y319 WeakPolarHBondContact O-CB 3.24Å; H316-Y319 PolarHBondContact O-N 3.49Å; Y319-F321 HydrophobicContact CD1-CB 4.28Å; Y319-F321 HydrophobicContact CE1-CB 3.68Å; Y319-F321 HydrophobicContact CE1-CD2 4.03Å; Y319-F321 HydrophobicContact CE1-CG 4.21Å; Y319-F321 HydrophobicContact CE2-CD2 4.29Å; Y319-F321 AromaticContact CZ-CD2 3.64Å; Y319-F321 PolarHBondContact O-N 3.3Å; Y319-F321 WeakPolarHBondContact OH-CD2 3.38Å; Y319-N322 WeakPolarHBondContact CD1-OD1 3.3Å
320P98.3Very high95.2Very high1 Ų155.9 Ų55.91%0.00634%0.335CS..G310 helixtrans-74.5-25.9-167.726.4-34.9000114W114 P115 N163 N165 N322W114-P320 HydrophobicContact CE3-CG 4.31Å; W114-P320 HydrophobicContact CZ3-CG 4.2Å; P115-P320 HydrophobicContact CG-CB 4.09Å; P115-P320 HydrophobicContact CG-CG 4.05Å; N163-P320 HydrophobicContact CB-CG 4.42Å; N163-P320 WeakPolarHBondContact O-CB 3.31Å; N163-P320 WeakPolarHBondContact O-CG 3.47Å; N165-P320 HydrophobicContact CB-CB 4.44Å; N165-P320 WeakPolarHBondContact CB-O 2.96Å; N165-P320 PolarHBondContact ND2-O 3.44Å; P320-N322 PolarHBondContact O-N 3.22Å
321F98.3Very high95.8Very high41 Ų4155.9 Ų55.918%0.1834%0.335CS..G310 helixtrans-95.411.6-167.5-46.2-36.6000114.1W114 N163 Y319W114-F321 AromaticContact CH2-CE2 3.89Å; W114-F321 HydrophobicContact CH2-CE2 3.89Å; W114-F321 AromaticContact CH2-CZ 3.94Å; W114-F321 HydrophobicContact CH2-CZ 3.94Å; W114-F321 AromaticContact CZ3-CE2 3.69Å; W114-F321 HydrophobicContact CZ3-CE2 3.69Å; W114-F321 AromaticContact CZ3-CZ 3.62Å; W114-F321 HydrophobicContact CZ3-CZ 3.62Å; N163-F321 HydrophobicContact CB-CE1 4.36Å; N163-F321 HydrophobicContact CB-CZ 4.1Å; Y319-F321 HydrophobicContact CD1-CB 4.28Å; Y319-F321 HydrophobicContact CE1-CB 3.68Å; Y319-F321 HydrophobicContact CE1-CD2 4.03Å; Y319-F321 HydrophobicContact CE1-CG 4.21Å; Y319-F321 HydrophobicContact CE2-CD2 4.29Å; Y319-F321 AromaticContact CZ-CD2 3.64Å; Y319-F321 PolarHBondContact O-N 3.3Å; Y319-F321 WeakPolarHBondContact OH-CD2 3.38Å
322N97.6Very high96.2Very high103 Ų10355.1 Ų55.155%0.55133%0.328SS*.G310 helixtrans-82.4-33.2173.1-70.7-20.2000112A314 Y319 P320A314-N322 PolarHBondContact O-ND2 3.03Å; Y319-N322 WeakPolarHBondContact CD1-OD1 3.3Å; P320-N322 PolarHBondContact O-N 3.22Å
323D97.3Very high96.5Very high56 Ų5656.5 Ų56.530%0.29934%0.342SS..SBendtrans-75.7150.7173.8-65.6-27.6000109.6N165 R167 Y325N165-D323 PolarHBondContact ND2-OD2 2.93Å; R167-D323 IonicContact CZ-OD2 3.68Å; R167-D323 IonicContact NE-OD2 2.71Å; R167-D323 PolarHBondContact NE-OD2 2.97Å; R167-D323 VanDerWaalsContact NE-OD2 3.09Å; R167-D323 IonicContact NH2-OD2 3.34Å; D323-Y325 VanDerWaalsContact C-N 3.29Å; D323-Y325 PolarHBondContact O-N 3.17Å
324P96.4Very high96.6Very high128 Ų12861.2 Ų61.283%0.83137%0.371SS*.  trans-57.1-35.9178.7-27.935.8000114.9
325Y90.6Very high96.8Very high114 Ų11463.9 Ų63.945%0.44738%0.381SS..  trans-159.5017451.1-95.1000111.6N165 S166 E195 L196 D323N165-Y325 WeakPolarHBondContact CA-OXT 3.11Å; N165-Y325 WeakPolarHBondContact CB-OXT 3.24Å; S166-Y325 VanDerWaalsContact CB-O 3.27Å; S166-Y325 WeakPolarHBondContact CB-O 3.47Å; S166-Y325 PolarHBondContact N-O 3.27Å; S166-Y325 PolarHBondContact N-OXT 3.23Å; S166-Y325 PolarHBondContact OG-O 3.24Å; E195-Y325 HydrophobicContact CB-CD1 3.61Å; E195-Y325 HydrophobicContact CB-CD2 4.08Å; E195-Y325 HydrophobicContact CB-CE1 4.01Å; E195-Y325 HydrophobicContact CB-CE2 4.45Å; E195-Y325 HydrophobicContact CB-CG 3.65Å; E195-Y325 HydrophobicContact CG-CD1 3.95Å; E195-Y325 HydrophobicContact CG-CE1 4.1Å; E195-Y325 HydrophobicContact CG-CG 4.49Å; L196-Y325 WeakPolarHBondContact CD1-OXT 3.43Å; D323-Y325 VanDerWaalsContact C-N 3.29Å; D323-Y325 PolarHBondContact O-N 3.17Å

Retrieved 325 of 325 residues in 1440.2 ms (Link to these results)

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