A0A077YUN7_TRITR Loading...

Acyltransferase domain containing protein

AlphaFold DB , UniProt , Accession A0A077YUN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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
1M39.4Very low49.9Very low100 Ų10045.9 Ų45.949%0.49323%0.23SC..  0-61.50-124.7-175.8-8900113.5F3 C4 F5 W273M1-F3 PolarHBondContact O-N 2.92Å; M1-C4 PolarHBondContact O-N 3.1Å; M1-F5 HydrophobicContact CB-CE2 4.39Å; M1-F5 HydrophobicContact CG-CD2 4.49Å; M1-F5 HydrophobicContact CG-CE2 3.74Å; M1-F5 VanDerWaalsContact O-CD2 3.3Å; M1-F5 WeakPolarHBondContact O-CD2 3.5Å; M1-F5 HydrophobicContact SD-CE2 4.17Å; M1-W273 VanDerWaalsContact N-CE2 3.33Å; M1-W273 VanDerWaalsContact N-CZ2 3.27Å
2A45.5Very low50.2Low16 Ų1653 Ų5313%0.13227%0.268CS..Hα-helixtrans-44.1-42.6-17700000116.3W46A2-W46 HydrophobicContact CB-CD2 3.82Å; A2-W46 HydrophobicContact CB-CE3 3.14Å; A2-W46 HydrophobicContact CB-CH2 3.98Å; A2-W46 HydrophobicContact CB-CZ3 3.22Å
3F46.7Very low51Low47 Ų4752.1 Ų52.121%0.20627%0.269CS..Hα-helixtrans-78.5-33.4-176.4-63.9-85.1000114.2M1 F5 K6 S7 F50 L57 L266 V269M1-F3 PolarHBondContact O-N 2.92Å; F3-F5 PolarHBondContact O-N 3.05Å; F3-K6 PolarHBondContact O-N 2.83Å; F3-K6 VanDerWaalsContact O-N 3.14Å; F3-S7 PolarHBondContact O-OG 3.48Å; F3-F50 HydrophobicContact CD1-CD2 4.06Å; F3-F50 AromaticContact CD1-CE2 3.93Å; F3-F50 HydrophobicContact CD1-CE2 3.93Å; F3-F50 AromaticContact CE1-CD2 3.67Å; F3-F50 HydrophobicContact CE1-CD2 3.67Å; F3-F50 AromaticContact CE1-CE2 3.63Å; F3-F50 HydrophobicContact CE1-CE2 3.63Å; F3-L57 HydrophobicContact CD1-CD1 3.95Å; F3-L57 HydrophobicContact CE1-CB 4.46Å; F3-L57 HydrophobicContact CE1-CD1 3.49Å; F3-L57 VanDerWaalsContact CE1-CD1 3.49Å; F3-L57 HydrophobicContact CE2-CB 4.34Å; F3-L57 HydrophobicContact CE2-CD1 4.33Å; F3-L57 HydrophobicContact CZ-CB 3.85Å; F3-L57 HydrophobicContact CZ-CD1 3.7Å; F3-L57 HydrophobicContact CZ-CG 4.38Å; F3-L266 HydrophobicContact CD1-CD2 4.41Å; F3-V269 HydrophobicContact CB-CB 4.01Å; F3-V269 HydrophobicContact CB-CG1 3.17Å; F3-V269 HydrophobicContact CD2-CG1 4.19Å; F3-V269 HydrophobicContact CG-CG1 3.77Å
4C46.5Very low52.5Low35 Ų3560.5 Ų60.524%0.23630%0.302CS..Hα-helixtrans-63.9-33.5178.5-167.20000111.3M1 K6 S7 L8 W273M1-C4 PolarHBondContact O-N 3.1Å; C4-K6 VanDerWaalsContact C-N 3.29Å; C4-K6 PolarHBondContact O-N 2.81Å; C4-S7 PolarHBondContact O-OG 2.91Å; C4-L8 PolarHBondContact O-N 3.49Å; C4-W273 HydrophobicContact CB-CB 3.9Å; C4-W273 HydrophobicContact CB-CG 4.02Å
5F50.5Low54.4Low64 Ų6456.7 Ų56.728%0.28128%0.284SS..Hα-helixtrans-66.9-27.8176.2-73.5-70.2000112.7M1 F3 L8 L9 M43M1-F5 HydrophobicContact CB-CE2 4.39Å; M1-F5 HydrophobicContact CG-CD2 4.49Å; M1-F5 HydrophobicContact CG-CE2 3.74Å; M1-F5 VanDerWaalsContact O-CD2 3.3Å; M1-F5 WeakPolarHBondContact O-CD2 3.5Å; M1-F5 HydrophobicContact SD-CE2 4.17Å; F3-F5 PolarHBondContact O-N 3.05Å; F5-L8 HydrophobicContact CD1-CD2 4.47Å; F5-L8 WeakPolarHBondContact O-CB 3.29Å; F5-L9 HydrophobicContact CB-CD1 4.33Å; F5-L9 VanDerWaalsContact O-CB 3.26Å; F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 VanDerWaalsContact O-CD1 3.24Å; F5-L9 WeakPolarHBondContact O-CD1 3.03Å; F5-L9 WeakPolarHBondContact O-CG 3.21Å; F5-L9 PolarHBondContact O-N 3.41Å; F5-M43 HydrophobicContact CB-CG 4.32Å; F5-M43 HydrophobicContact CB-SD 4.41Å; F5-M43 HydrophobicContact CD1-SD 4.19Å; F5-M43 HydrophobicContact CG-SD 4.42Å
6K50.9Low56.3Low5 Ų559.7 Ų59.72%0.02229%0.291CS..Hα-helixtrans-78.2-45.9-179.6-179.3175.4165.6-157.70113.4F3 C4 L8 L9 T10 V47 F50 F258 L266F3-K6 PolarHBondContact O-N 2.83Å; F3-K6 VanDerWaalsContact O-N 3.14Å; C4-K6 VanDerWaalsContact C-N 3.29Å; C4-K6 PolarHBondContact O-N 2.81Å; K6-L8 CarbonylContact O-C 3.56Å; K6-L8 PolarHBondContact O-N 3.36Å; K6-L9 PolarHBondContact O-N 3.31Å; K6-T10 PolarHBondContact O-N 2.77Å; K6-V47 HydrophobicContact CB-CG2 4.21Å; K6-V47 HydrophobicContact CD-CB 4.44Å; K6-V47 HydrophobicContact CD-CG1 4Å; K6-V47 HydrophobicContact CD-CG2 4.15Å; K6-V47 HydrophobicContact CG-CG1 4.41Å; K6-V47 HydrophobicContact CG-CG2 4.01Å; K6-F50 HydrophobicContact CD-CD1 4.42Å; K6-F258 HydrophobicContact CD-CZ 4.32Å; K6-F258 VanDerWaalsContact NZ-CD1 3.27Å; K6-L266 HydrophobicContact CB-CD2 4.27Å; K6-L266 HydrophobicContact CD-CD1 3.88Å; K6-L266 HydrophobicContact CD-CD2 3.69Å; K6-L266 HydrophobicContact CD-CG 4.4Å; K6-L266 HydrophobicContact CG-CD1 4.49Å; K6-L266 HydrophobicContact CG-CD2 4.27Å
7S48.5Very low58.1Low15 Ų1556.4 Ų56.411%0.10528%0.275CS..Iπ-helixtrans-52.8-40.1173.720.40000109.5F3 C4 Y11 A270F3-S7 PolarHBondContact O-OG 3.48Å; C4-S7 PolarHBondContact O-OG 2.91Å; S7-Y11 VanDerWaalsContact O-CB 3.25Å; S7-Y11 WeakPolarHBondContact O-CB 3.18Å; S7-Y11 PolarHBondContact O-N 3.36Å; S7-A270 VanDerWaalsContact CB-CB 3.43Å; S7-A270 WeakPolarHBondContact OG-CB 3.39Å
8L53.6Low59.8Low67 Ų6753.3 Ų53.335%0.35126%0.26SS..Iπ-helixtrans-62.6-54.2168.3-17270000112.6C4 F5 K6 L12 C13C4-L8 PolarHBondContact O-N 3.49Å; F5-L8 HydrophobicContact CD1-CD2 4.47Å; F5-L8 WeakPolarHBondContact O-CB 3.29Å; K6-L8 CarbonylContact O-C 3.56Å; K6-L8 PolarHBondContact O-N 3.36Å; L8-L12 HydrophobicContact CB-CD1 4.48Å; L8-L12 HydrophobicContact CD1-CB 4.01Å; L8-L12 HydrophobicContact CD1-CD1 3.26Å; L8-L12 HydrophobicContact CD1-CG 4.18Å; L8-L12 HydrophobicContact CG-CD1 4.37Å; L8-L12 CarbonylContact O-C 3.52Å; L8-L12 WeakPolarHBondContact O-CA 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 PolarHBondContact O-N 3.06Å; L8-C13 PolarHBondContact O-N 2.99Å
9L56.2Low61.3Low2 Ų250.7 Ų50.71%0.0125%0.248CC..Iπ-helixtrans-65.8-47.4-173.9-77.2160.4000115.2F5 K6 C13 K14 V15 M43 F44 V47 F191F5-L9 HydrophobicContact CB-CD1 4.33Å; F5-L9 VanDerWaalsContact O-CB 3.26Å; F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 VanDerWaalsContact O-CD1 3.24Å; F5-L9 WeakPolarHBondContact O-CD1 3.03Å; F5-L9 WeakPolarHBondContact O-CG 3.21Å; F5-L9 PolarHBondContact O-N 3.41Å; K6-L9 PolarHBondContact O-N 3.31Å; L9-C13 CarbonylContact O-C 3.58Å; L9-C13 VanDerWaalsContact O-C 3.26Å; L9-C13 WeakPolarHBondContact O-CA 3.47Å; L9-C13 VanDerWaalsContact O-CB 3.3Å; L9-C13 WeakPolarHBondContact O-CB 3.36Å; L9-C13 PolarHBondContact O-N 2.8Å; L9-K14 PolarHBondContact O-N 2.94Å; L9-V15 HydrophobicContact CD2-CG2 4.14Å; L9-V15 PolarHBondContact O-N 3.39Å; L9-M43 HydrophobicContact CD1-CE 3.85Å; L9-M43 HydrophobicContact CD1-CG 3.68Å; L9-M43 HydrophobicContact CD1-SD 3.79Å; L9-M43 HydrophobicContact CD2-CE 3.68Å; L9-M43 HydrophobicContact CD2-SD 4.42Å; L9-M43 HydrophobicContact CG-CE 4.29Å; L9-M43 HydrophobicContact CG-SD 4.45Å; L9-F44 HydrophobicContact CD2-CD1 4.38Å; L9-F44 HydrophobicContact CD2-CE1 3.72Å; L9-F44 HydrophobicContact CD2-CZ 4.45Å; L9-V47 HydrophobicContact CD1-CG2 4.15Å; L9-F191 HydrophobicContact CD2-CE1 4.31Å; L9-F191 HydrophobicContact CD2-CE2 3.28Å; L9-F191 HydrophobicContact CD2-CZ 3.16Å; L9-F191 HydrophobicContact CG-CZ 4.01Å
10T54.8Low62.8Low41 Ų4148.9 Ų48.925%0.25224%0.24SC..Iπ-helixtrans-82.2-40-175.4-55.20000111.2K6 K14K6-T10 PolarHBondContact O-N 2.77Å; T10-K14 WeakPolarHBondContact O-CA 3.14Å
11Y56Low64.1Low113 Ų11348.4 Ų48.444%0.44325%0.247SC..Iπ-helixtrans-90.6-40-178.4-65-88000113.1S7S7-Y11 VanDerWaalsContact O-CB 3.25Å; S7-Y11 WeakPolarHBondContact O-CB 3.18Å; S7-Y11 PolarHBondContact O-N 3.36Å
12L53.6Low66.6Low131 Ų13147.5 Ų47.569%0.68624%0.242SC*.Iπ-helixtrans-89.9-44.5-179.2-58.1171.2000112L8L8-L12 HydrophobicContact CB-CD1 4.48Å; L8-L12 HydrophobicContact CD1-CB 4.01Å; L8-L12 HydrophobicContact CD1-CD1 3.26Å; L8-L12 HydrophobicContact CD1-CG 4.18Å; L8-L12 HydrophobicContact CG-CD1 4.37Å; L8-L12 CarbonylContact O-C 3.52Å; L8-L12 WeakPolarHBondContact O-CA 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 PolarHBondContact O-N 3.06Å
13C61.5Low68.7Low41 Ų4150.1 Ų50.128%0.27726%0.259SS..SBendtrans-91.3-7.2-179.4-50.80000114.3L8 L9 V15 F191 A196L8-C13 PolarHBondContact O-N 2.99Å; L9-C13 CarbonylContact O-C 3.58Å; L9-C13 VanDerWaalsContact O-C 3.26Å; L9-C13 WeakPolarHBondContact O-CA 3.47Å; L9-C13 VanDerWaalsContact O-CB 3.3Å; L9-C13 WeakPolarHBondContact O-CB 3.36Å; L9-C13 PolarHBondContact O-N 2.8Å; C13-V15 HydrophobicContact CB-CG2 3.9Å; C13-V15 PolarHBondContact O-N 3.31Å; C13-V15 VanDerWaalsContact O-N 3.12Å; C13-F191 HydrophobicContact CB-CZ 4.45Å; C13-F191 VanDerWaalsContact SG-CZ 3.56Å; C13-A196 HydrophobicContact CB-CB 3.92Å
14K71.6Confident71Confident170 Ų17048.1 Ų48.174%0.73925%0.25SC*.  trans52.429.4-179-60.3-178.1180175.40114.7L9 T10 R16L9-K14 PolarHBondContact O-N 2.94Å; T10-K14 WeakPolarHBondContact O-CA 3.14Å; K14-R16 PolarHBondContact O-N 3.29Å
15V81.5Confident73.3Confident4 Ų452.3 Ų52.32%0.02426%0.261CS..  trans-73.6123.9178.3-1770000110.4L9 C13 V17 F44 A196 P197 V200L9-V15 HydrophobicContact CD2-CG2 4.14Å; L9-V15 PolarHBondContact O-N 3.39Å; C13-V15 HydrophobicContact CB-CG2 3.9Å; C13-V15 PolarHBondContact O-N 3.31Å; C13-V15 VanDerWaalsContact O-N 3.12Å; V15-V17 HydrophobicContact CG1-CG2 4.36Å; V15-F44 HydrophobicContact CB-CE1 4.48Å; V15-F44 HydrophobicContact CG1-CD1 4.05Å; V15-F44 HydrophobicContact CG1-CE1 3.87Å; V15-F44 HydrophobicContact CG2-CE1 4.25Å; V15-A196 HydrophobicContact CG2-CB 3.82Å; V15-P197 HydrophobicContact CG1-CG 4.27Å; V15-P197 WeakPolarHBondContact CG1-O 3.33Å; V15-P197 WeakPolarHBondContact CG2-O 3.32Å; V15-V200 HydrophobicContact CG1-CG2 4.07Å
16R84Confident75.3Confident104 Ų10450.9 Ų50.939%0.39226%0.259SS..EExtended strand (participates in β ladder)trans-92102.5174.4-174.9-175.9174.6-175.2-6.1110.8K14 V18 K198 E199 V200 N256K14-R16 PolarHBondContact O-N 3.29Å; R16-V18 HydrophobicContact CG-CG2 3.88Å; R16-K198 PolarHBondContact N-O 2.99Å; R16-E199 HydrophobicContact CB-CB 4.17Å; R16-E199 CarbonylContact O-C 3.58Å; R16-E199 WeakPolarHBondContact O-CA 3.29Å; R16-E199 WeakPolarHBondContact O-CB 3.35Å; R16-V200 PolarHBondContact O-N 2.89Å; R16-N256 PolarHBondContact NE-OD1 3.45Å; R16-N256 PolarHBondContact NH2-ND2 3.14Å; R16-N256 PolarHBondContact NH2-OD1 2.85Å
17V87.5Confident77.4Confident4 Ų455.2 Ų55.22%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-82.9124.5170.5177.80000109.8V15 V47 A48 K51 V200 F202V15-V17 HydrophobicContact CG1-CG2 4.36Å; V17-V47 HydrophobicContact CB-CB 4.29Å; V17-V47 HydrophobicContact CB-CG1 3.81Å; V17-V47 HydrophobicContact CG1-CB 4.49Å; V17-V47 HydrophobicContact CG1-CG1 4.36Å; V17-V47 HydrophobicContact CG2-CB 3.87Å; V17-V47 HydrophobicContact CG2-CG1 3.7Å; V17-A48 HydrophobicContact CG1-CB 3.93Å; V17-K51 VanDerWaalsContact O-CE 3.27Å; V17-K51 WeakPolarHBondContact O-CE 3.27Å; V17-K51 PolarHBondContact O-NZ 3.48Å; V17-V200 CarbonylContact C-O 3.26Å; V17-V200 WeakPolarHBondContact CA-O 3.37Å; V17-V200 HydrophobicContact CG2-CB 4.47Å; V17-F202 HydrophobicContact CG1-CD2 3.77Å; V17-F202 HydrophobicContact CG1-CE2 3.78Å
18V87.6Confident79.7Confident1 Ų155 Ų551%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-115.5136.3-177-174.50000109.2R16 V200 H201 F202 H253R16-V18 HydrophobicContact CG-CG2 3.88Å; V18-V200 PolarHBondContact N-O 2.91Å; V18-H201 CarbonylContact O-C 3.55Å; V18-H201 WeakPolarHBondContact O-CA 3.26Å; V18-F202 PolarHBondContact O-N 3.36Å; V18-H253 HydrophobicContact CG1-CB 3.81Å; V18-H253 VanDerWaalsContact CG1-CE1 3.49Å; V18-H253 WeakPolarHBondContact CG1-CE1 3.4Å; V18-H253 WeakPolarHBondContact CG1-ND1 3.43Å
19V89.5Confident81.6Confident4 Ų452.4 Ų52.42%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-122.2139.1-179.9-64.90000110.3A48 Y52 F202 C254V19-A48 HydrophobicContact CG1-CB 3.73Å; V19-Y52 HydrophobicContact CB-CE1 4.21Å; V19-Y52 WeakPolarHBondContact CB-OH 3.28Å; V19-Y52 HydrophobicContact CG1-CE2 4.29Å; V19-Y52 HydrophobicContact CG2-CE1 4Å; V19-F202 CarbonylContact C-O 3.45Å; V19-F202 VanDerWaalsContact CA-O 3.31Å; V19-F202 WeakPolarHBondContact CA-O 3.46Å; V19-F202 HydrophobicContact CG1-CB 4.37Å; V19-C254 WeakPolarHBondContact CG2-O 3.41Å; V19-C254 PolarHBondContact O-N 2.81Å
20S90.4Very high83.6Confident14 Ų1452.3 Ų52.310%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-141.2167.6175.666.90000111.1F202 H203 V204S20-F202 PolarHBondContact N-O 3.33Å; S20-H203 WeakPolarHBondContact O-CA 3.41Å; S20-H203 PolarHBondContact OG-ND1 3.3Å; S20-V204 PolarHBondContact O-N 3.09Å
21G90.8Very high85.7Confident38 Ų3850.3 Ų50.339%0.39226%0.257SS..EExtended strand (participates in β ladder)trans78.4-142.9-173.100000111.8V204G21-V204 CarbonylContact C-O 3.6Å; G21-V204 WeakPolarHBondContact CA-O 3.43Å
22E91.2Very high87.7Confident81 Ų8145 Ų4538%0.37924%0.236SC..SBendtrans-78.5161.6-177.2-68.9-170.280.100113.5Y52 V204 R206E22-Y52 PolarHBondContact O-OH 2.92Å; E22-V204 PolarHBondContact N-O 2.68Å; E22-V204 WeakPolarHBondContact O-CB 3.36Å; E22-R206 VanDerWaalsContact CD-CB 3.49Å; E22-R206 WeakPolarHBondContact OE2-CA 3.41Å; E22-R206 WeakPolarHBondContact OE2-CB 3.48Å; E22-R206 PolarHBondContact OE2-N 2.71Å
23C90.7Very high89.8Confident72 Ų7238.8 Ų38.849%0.48620%0.203SC..PPolyproline II helixtrans-94.9134.8173.6-67.20000110.7R25 Y52 Y174C23-R25 PolarHBondContact O-N 3.46Å; C23-Y52 HydrophobicContact CB-CD1 3.76Å; C23-Y52 HydrophobicContact CB-CE1 3.92Å; C23-Y52 VanDerWaalsContact SG-CE1 3.59Å; C23-Y174 PolarHBondContact O-OH 3.34Å
24I93.9Very high91.6Very high4 Ų436.9 Ų36.92%0.02119%0.19CC..PPolyproline II helixtrans-71.6124.7170.9-58.9176.8000108.6F45 L49 Y52 L56 Y174 I176 V204I24-F45 HydrophobicContact CD1-CE2 4.06Å; I24-F45 HydrophobicContact CD1-CZ 3.69Å; I24-L49 HydrophobicContact CB-CD2 4.46Å; I24-L49 HydrophobicContact CD1-CD2 3.77Å; I24-L49 HydrophobicContact CG2-CD2 4.33Å; I24-Y52 HydrophobicContact CB-CD2 4.11Å; I24-Y52 HydrophobicContact CB-CE2 4.39Å; I24-Y52 HydrophobicContact CD1-CE2 4.3Å; I24-Y52 HydrophobicContact CG1-CD2 4.36Å; I24-Y52 HydrophobicContact CG1-CE2 4.14Å; I24-L56 HydrophobicContact CB-CD1 4.23Å; I24-L56 HydrophobicContact CG2-CD1 4.1Å; I24-L56 HydrophobicContact CG2-CD2 3.76Å; I24-Y174 HydrophobicContact CB-CE2 4.41Å; I24-Y174 HydrophobicContact CG1-CD1 4.12Å; I24-Y174 HydrophobicContact CG1-CD2 4.36Å; I24-Y174 HydrophobicContact CG1-CE1 4.21Å; I24-Y174 HydrophobicContact CG1-CE2 4.47Å; I24-Y174 HydrophobicContact CG1-CG 4.18Å; I24-Y174 HydrophobicContact CG2-CD2 4.16Å; I24-Y174 HydrophobicContact CG2-CE2 3.86Å; I24-I176 HydrophobicContact CD1-CD1 3.74Å; I24-V204 HydrophobicContact CG1-CG1 4.05Å
25R94.7Very high92.9Very high124 Ų12428.9 Ų28.947%0.46816%0.156SC..PPolyproline II helixtrans-91.9132-176.4-59.7173.8-168.1-177.33.8109.8C23 T27 D28 Y174C23-R25 PolarHBondContact O-N 3.46Å; R25-T27 PolarHBondContact O-N 2.86Å; R25-D28 HydrophobicContact CB-CB 4.36Å; R25-D28 PolarHBondContact O-N 3.24Å; R25-Y174 PolarHBondContact N-OH 2.65Å
26S93.7Very high93.6Very high33 Ų3330 Ų3023%0.23116%0.161CC..THydrogen-bonded Turntrans-70.8-10178.262.40000114.1P110S26-P110 VanDerWaalsContact O-CB 3.31Å; S26-P110 WeakPolarHBondContact O-CB 3.5Å
27T95Very high94.1Very high97 Ų9727.6 Ų27.660%0.59515%0.152SC*.THydrogen-bonded Turntrans-88.9-17.2177.549.60000112.7R25 P110R25-T27 PolarHBondContact O-N 2.86Å; T27-P110 WeakPolarHBondContact O-CG 3.34Å
28D95.4Very high94.3Very high10 Ų1027.4 Ų27.45%0.05315%0.15CC..  trans-81.9138.6-173.8-71.817.2000110.7R25 A30 F111 Q112 D171 C172 Y174 R206R25-D28 HydrophobicContact CB-CB 4.36Å; R25-D28 PolarHBondContact O-N 3.24Å; D28-A30 HydrophobicContact CB-CB 4.5Å; D28-F111 VanDerWaalsContact O-O 3.13Å; D28-Q112 PolarHBondContact O-NE2 2.96Å; D28-D171 HydrophobicContact CB-CB 4.39Å; D28-C172 PolarHBondContact OD2-SG 3.43Å; D28-Y174 HydrophobicContact CB-CE2 4.41Å; D28-Y174 PolarHBondContact OD2-OH 2.95Å; D28-Y174 VanDerWaalsContact OD2-OH 3.13Å; D28-R206 IonicContact OD1-NH2 3.31Å; D28-R206 IonicContact OD2-CZ 2.71Å; D28-R206 VanDerWaalsContact OD2-CZ 3.31Å; D28-R206 IonicContact OD2-NE 3.9Å; D28-R206 PolarHBondContact OD2-NE 3.1Å; D28-R206 IonicContact OD2-NH2 3.22Å; D28-R206 PolarHBondContact OD2-NH2 3.13Å
29K95.3Very high94.4Very high12 Ų1233.2 Ų33.25%0.05217%0.172CC..  trans-84.6108.6159.2-65.1173.8177.8-1770107.9F111 N168 L170 D171 C172K29-F111 WeakPolarHBondContact CA-O 3.32Å; K29-F111 HydrophobicContact CB-CD1 4.08Å; K29-F111 HydrophobicContact CB-CE1 3.64Å; K29-F111 HydrophobicContact CB-CE2 4.36Å; K29-F111 HydrophobicContact CB-CZ 3.81Å; K29-F111 HydrophobicContact CD-CD1 4.42Å; K29-F111 HydrophobicContact CD-CE1 3.92Å; K29-F111 HydrophobicContact CG-CD1 3.87Å; K29-F111 HydrophobicContact CG-CE1 3.7Å; K29-F111 HydrophobicContact CG-CZ 4.38Å; K29-N168 PolarHBondContact NZ-ND2 3.42Å; K29-N168 PolarHBondContact NZ-O 2.93Å; K29-N168 PolarHBondContact NZ-OD1 2.93Å; K29-L170 WeakPolarHBondContact O-CD1 3.43Å; K29-D171 WeakPolarHBondContact CB-OD2 3.28Å; K29-D171 PolarHBondContact N-OD2 2.82Å; K29-D171 PolarHBondContact O-N 3.43Å; K29-C172 PolarHBondContact O-N 3.14Å
30A97Very high94.5Very high0 Ų033.1 Ų33.10%017%0.172CC..EExtended strand (participates in β ladder)trans-136.3147.8-168.600000113.9D28 L32 F111 Q112 V113 C172 Y174D28-A30 HydrophobicContact CB-CB 4.5Å; A30-L32 HydrophobicContact CB-CD2 4.09Å; A30-F111 PolarHBondContact N-O 2.76Å; A30-Q112 CarbonylContact O-C 3.59Å; A30-Q112 VanDerWaalsContact O-CA 3.32Å; A30-Q112 WeakPolarHBondContact O-CA 3.44Å; A30-V113 PolarHBondContact O-N 3.48Å; A30-C172 WeakPolarHBondContact CA-O 3.4Å; A30-Y174 HydrophobicContact CB-CD2 3.69Å; A30-Y174 HydrophobicContact CB-CE2 3.92Å
31V98.1Very high94.7Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-96132.4159.6174.20000107.2L33 V113 V115 L156 F160 L170 C172 I173 Y174V31-L33 HydrophobicContact CG1-CD2 3.95Å; V31-V113 WeakPolarHBondContact CA-O 3.05Å; V31-V115 HydrophobicContact CG1-CG1 4.02Å; V31-L156 HydrophobicContact CG1-CD2 4.33Å; V31-F160 HydrophobicContact CG2-CD2 3.63Å; V31-F160 HydrophobicContact CG2-CE2 3.71Å; V31-L170 HydrophobicContact CG2-CD1 3.92Å; V31-C172 PolarHBondContact N-O 3.31Å; V31-I173 HydrophobicContact CB-CG1 4.35Å; V31-I173 CarbonylContact O-C 3.59Å; V31-I173 WeakPolarHBondContact O-CA 3.4Å; V31-Y174 PolarHBondContact O-N 3.16Å
32L98.6Very high94.8Very high2 Ų233.8 Ų33.81%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-106.3115.8177.3-43.3-178.3000108.6A30 F45 Q112 V113 L114 V115 Y174 I176A30-L32 HydrophobicContact CB-CD2 4.09Å; L32-F45 HydrophobicContact CD1-CE1 3.66Å; L32-F45 HydrophobicContact CD1-CZ 3.81Å; L32-Q112 HydrophobicContact CD1-CB 3.87Å; L32-Q112 HydrophobicContact CD1-CG 4.5Å; L32-Q112 HydrophobicContact CD2-CB 4.29Å; L32-Q112 HydrophobicContact CD2-CG 4.37Å; L32-Q112 HydrophobicContact CG-CB 4.08Å; L32-V113 PolarHBondContact N-O 2.89Å; L32-L114 HydrophobicContact CB-CB 4.41Å; L32-L114 HydrophobicContact CB-CD1 3.8Å; L32-L114 HydrophobicContact CD1-CB 4.43Å; L32-L114 HydrophobicContact CD1-CD1 4.49Å; L32-V115 WeakPolarHBondContact O-CG1 3.12Å; L32-V115 PolarHBondContact O-N 2.71Å; L32-Y174 HydrophobicContact CD2-CD2 3.55Å; L32-Y174 HydrophobicContact CD2-CG 4.02Å; L32-I176 HydrophobicContact CB-CD1 3.89Å; L32-I176 HydrophobicContact CD1-CD1 4.24Å; L32-I176 HydrophobicContact CD2-CD1 4.46Å; L32-I176 HydrophobicContact CG-CD1 4.43Å
33L98.7Very high94.8Very high0 Ų030.1 Ų30.10%014%0.143CC..EExtended strand (participates in β ladder)trans-94.9107.4175.9-58.1-177.2000108.9V31 V115 P117 T153 I157 I173 Y174 I176 W226 L227 W231V31-L33 HydrophobicContact CG1-CD2 3.95Å; L33-V115 HydrophobicContact CD2-CG1 3.36Å; L33-P117 HydrophobicContact CD2-CG 4.3Å; L33-T153 HydrophobicContact CD2-CG2 3.86Å; L33-I157 HydrophobicContact CD1-CD1 4.48Å; L33-I157 HydrophobicContact CD2-CD1 4.39Å; L33-I173 HydrophobicContact CD1-CG2 3.71Å; L33-I173 HydrophobicContact CG-CG2 3.74Å; L33-Y174 PolarHBondContact N-O 2.93Å; L33-I176 PolarHBondContact O-N 3.43Å; L33-W226 HydrophobicContact CD1-CH2 3.9Å; L33-W226 HydrophobicContact CD1-CZ3 4.15Å; L33-L227 HydrophobicContact CD1-CD1 3.95Å; L33-W231 HydrophobicContact CB-CH2 4.37Å; L33-W231 HydrophobicContact CB-CZ3 4.32Å
34M98.6Very high94.8Very high0 Ų026.8 Ų26.80%012%0.12CC..EExtended strand (participates in β ladder)trans-119.6139.1179.5-160.7161.77300111.3D41 F45 L114 V115 F116 I176 V178 F202M34-D41 HydrophobicContact CE-CB 4.01Å; M34-F45 HydrophobicContact CE-CB 4.07Å; M34-F45 HydrophobicContact CE-CD1 4.35Å; M34-F45 HydrophobicContact CE-CG 4.12Å; M34-F45 HydrophobicContact SD-CB 4.39Å; M34-F45 HydrophobicContact SD-CD1 4.45Å; M34-F45 HydrophobicContact SD-CD2 3.98Å; M34-F45 HydrophobicContact SD-CE2 4.41Å; M34-F45 HydrophobicContact SD-CG 4.02Å; M34-L114 HydrophobicContact CB-CD1 3.69Å; M34-L114 HydrophobicContact CE-CD1 4.18Å; M34-L114 HydrophobicContact CE-CD2 4.11Å; M34-L114 HydrophobicContact SD-CD1 4.47Å; M34-V115 PolarHBondContact N-O 3.17Å; M34-V115 VanDerWaalsContact N-O 3.1Å; M34-F116 HydrophobicContact CB-CD1 4.23Å; M34-F116 HydrophobicContact CB-CE1 4.07Å; M34-F116 HydrophobicContact CE-CD1 4.43Å; M34-F116 HydrophobicContact CE-CE1 3.26Å; M34-F116 HydrophobicContact CE-CZ 3.35Å; M34-F116 HydrophobicContact CG-CE1 4.24Å; M34-F116 WeakPolarHBondContact O-CA 3.4Å; M34-F116 WeakPolarHBondContact O-CD1 3.24Å; M34-I176 WeakPolarHBondContact CA-O 3.28Å; M34-I176 HydrophobicContact CB-CB 4.18Å; M34-I176 HydrophobicContact CG-CB 3.98Å; M34-I176 HydrophobicContact CG-CG2 3.9Å; M34-I176 HydrophobicContact SD-CB 4.24Å; M34-I176 HydrophobicContact SD-CG2 3.67Å; M34-V178 HydrophobicContact CG-CG1 4.35Å; M34-F202 HydrophobicContact SD-CD1 4.11Å; M34-F202 HydrophobicContact SD-CE1 3.8Å
35N98.2Very high94.8Very high3 Ų326.7 Ų26.72%0.01612%0.12CC..  trans-67.2157.8166.363-61.6000110.7F116 E118 L145 I176 T177 V178N35-F116 WeakPolarHBondContact O-CD1 3.44Å; N35-E118 WeakPolarHBondContact CA-OE1 3.48Å; N35-E118 WeakPolarHBondContact CB-OE1 3.06Å; N35-L145 HydrophobicContact CB-CD2 3.42Å; N35-L145 VanDerWaalsContact CB-CD2 3.42Å; N35-I176 PolarHBondContact OD1-O 2.87Å; N35-T177 VanDerWaalsContact OD1-CA 3.25Å; N35-T177 WeakPolarHBondContact OD1-CA 3.31Å; N35-V178 PolarHBondContact ND2-O 2.84Å; N35-V178 PolarHBondContact OD1-N 3.35Å
36H96Very high94.7Very high28 Ų2822.6 Ų22.613%0.1310%0.104CC..  trans-119.395.5-173.8-160.719.2000112.2T38 D41 F116 E118 N121 F122H36-T38 PolarHBondContact CE1-O 2.88Å; H36-T38 PolarHBondContact ND1-O 2.85Å; H36-D41 WeakPolarHBondContact CA-OD2 3.22Å; H36-D41 IonicContact CE1-OD2 2.76Å; H36-D41 IonicContact CG-OD2 2.67Å; H36-D41 IonicContact ND1-OD2 3.9Å; H36-D41 PolarHBondContact ND1-OD2 3.48Å; H36-F116 HydrophobicContact CB-CB 4.11Å; H36-F116 HydrophobicContact CB-CD1 3.6Å; H36-F116 HydrophobicContact CB-CE1 4.31Å; H36-F116 HydrophobicContact CB-CG 4.16Å; H36-F116 AromaticContact CG-CD1 3.71Å; H36-F116 AromaticContact ND1-CD1 3.8Å; H36-F116 AromaticContact ND1-CE1 3.75Å; H36-E118 HydrophobicContact CB-CB 4.44Å; H36-E118 PolarHBondContact N-OE1 2.78Å; H36-N121 PolarHBondContact NE2-OD1 3.41Å; H36-N121 VanDerWaalsContact NE2-OD1 3.09Å; H36-F122 PolarHBondContact O-N 3.14Å
37R94.4Very high94.4Very high52 Ų5221.2 Ų21.220%0.19610%0.095CC..  trans-85.4-43.4178.9-16870.4-173.584.5-9.7112.3D41 F122 Y180 I184 E186R37-D41 PolarHBondContact N-OD2 2.87Å; R37-F122 PolarHBondContact NH1-O 3.38Å; R37-Y180 HydrophobicContact CB-CD2 3.8Å; R37-Y180 HydrophobicContact CB-CE2 3.69Å; R37-Y180 HydrophobicContact CG-CD2 3.69Å; R37-Y180 HydrophobicContact CG-CE2 4.07Å; R37-I184 HydrophobicContact CG-CG2 4.26Å; R37-E186 IonicContact NH1-OE1 2.67Å; R37-E186 PolarHBondContact NH1-OE1 3.13Å
38T92.3Very high94.1Very high0 Ų016.6 Ų16.60%07%0.066CC..  trans-142.6162-170.574.50000112.2H36 L40 D41 N121 Y180 I184 V185H36-T38 PolarHBondContact CE1-O 2.88Å; H36-T38 PolarHBondContact ND1-O 2.85Å; T38-L40 PolarHBondContact O-N 2.92Å; T38-L40 PolarHBondContact OG1-N 3.41Å; T38-D41 PolarHBondContact N-OD1 2.9Å; T38-D41 VanDerWaalsContact N-OD1 3.14Å; T38-D41 PolarHBondContact N-OD2 3.19Å; T38-D41 PolarHBondContact O-N 3.47Å; T38-D41 VanDerWaalsContact O-OD2 3.08Å; T38-D41 PolarHBondContact OG1-N 2.92Å; T38-D41 PolarHBondContact OG1-OD1 2.95Å; T38-N121 VanDerWaalsContact C-ND2 3.28Å; T38-N121 WeakPolarHBondContact CA-ND2 3.25Å; T38-Y180 HydrophobicContact CG2-CE2 4.18Å; T38-Y180 PolarHBondContact OG1-OH 3.4Å; T38-I184 HydrophobicContact CG2-CG2 3.6Å; T38-V185 VanDerWaalsContact CB-O 3.28Å; T38-V185 WeakPolarHBondContact CB-O 3.5Å; T38-V185 WeakPolarHBondContact CG2-O 3.46Å
39R90.8Very high93.9Very high123 Ų12316.4 Ų16.446%0.4647%0.065SC..THydrogen-bonded Turntrans-65.2-14175.6-75.9168.459.2170.7-1.7112.8W42 N121 E186 E188R39-W42 PolarHBondContact O-NE1 2.95Å; R39-N121 WeakPolarHBondContact CG-ND2 3.47Å; R39-N121 PolarHBondContact N-ND2 3.35Å; R39-E186 WeakPolarHBondContact CB-O 3.16Å; R39-E188 IonicContact CZ-OE1 2.95Å; R39-E188 IonicContact CZ-OE2 3.88Å; R39-E188 IonicContact NE-OE1 3.14Å; R39-E188 PolarHBondContact NE-OE1 3.48Å; R39-E188 IonicContact NE-OE2 3.7Å; R39-E188 PolarHBondContact NE-OE2 2.76Å; R39-E188 IonicContact NH1-OE2 2.93Å; R39-E188 IonicContact NH2-OE1 2.68Å; R39-E188 PolarHBondContact NH2-OE1 3.42Å; R39-E188 IonicContact NH2-OE2 2.59Å; R39-E188 PolarHBondContact NH2-OE2 3.14Å
40L91.4Very high93.5Very high3 Ų316 Ų162%0.0166%0.064CC..THydrogen-bonded Turntrans-1022.6-173.8-59.9-178.3000113.1T38 W42 M43 F44 V185 E188 F191T38-L40 PolarHBondContact O-N 2.92Å; T38-L40 PolarHBondContact OG1-N 3.41Å; L40-W42 PolarHBondContact O-N 3.4Å; L40-M43 HydrophobicContact CB-CE 4.25Å; L40-M43 HydrophobicContact CD1-CE 4.34Å; L40-M43 VanDerWaalsContact O-CB 3.27Å; L40-M43 WeakPolarHBondContact O-CB 3.45Å; L40-M43 PolarHBondContact O-N 3.37Å; L40-F44 HydrophobicContact CB-CD2 4.21Å; L40-F44 HydrophobicContact CB-CE2 3.72Å; L40-F44 VanDerWaalsContact O-CD2 3.29Å; L40-F44 WeakPolarHBondContact O-CD2 3.21Å; L40-F44 PolarHBondContact O-N 3.46Å; L40-V185 HydrophobicContact CD1-CB 4.36Å; L40-V185 HydrophobicContact CD1-CG1 3.82Å; L40-E188 HydrophobicContact CD2-CG 3.88Å; L40-F191 HydrophobicContact CD1-CB 3.73Å; L40-F191 HydrophobicContact CD1-CD2 4.31Å; L40-F191 HydrophobicContact CD1-CG 4.12Å
41D94.4Very high93Very high0 Ų017.3 Ų17.30%07%0.069CC..Hα-helixtrans-53.3-42.5-177.5-66.2-21.5000112.4M34 H36 R37 T38 M43 F44 F45 F116 Y180M34-D41 HydrophobicContact CE-CB 4.01Å; H36-D41 WeakPolarHBondContact CA-OD2 3.22Å; H36-D41 IonicContact CE1-OD2 2.76Å; H36-D41 IonicContact CG-OD2 2.67Å; H36-D41 IonicContact ND1-OD2 3.9Å; H36-D41 PolarHBondContact ND1-OD2 3.48Å; R37-D41 PolarHBondContact N-OD2 2.87Å; T38-D41 PolarHBondContact N-OD1 2.9Å; T38-D41 VanDerWaalsContact N-OD1 3.14Å; T38-D41 PolarHBondContact N-OD2 3.19Å; T38-D41 PolarHBondContact O-N 3.47Å; T38-D41 VanDerWaalsContact O-OD2 3.08Å; T38-D41 PolarHBondContact OG1-N 2.92Å; T38-D41 PolarHBondContact OG1-OD1 2.95Å; D41-M43 PolarHBondContact O-N 2.85Å; D41-F44 PolarHBondContact O-N 3.31Å; D41-F45 WeakPolarHBondContact O-CB 3.18Å; D41-F45 PolarHBondContact O-N 3.46Å; D41-F116 HydrophobicContact CB-CE1 4.1Å; D41-F116 HydrophobicContact CB-CZ 4.18Å; D41-Y180 WeakPolarHBondContact CA-OH 3.47Å; D41-Y180 VanDerWaalsContact OD1-CE2 3.25Å; D41-Y180 WeakPolarHBondContact OD1-CE2 3.29Å; D41-Y180 VanDerWaalsContact OD1-CZ 3.26Å; D41-Y180 PolarHBondContact OD1-OH 3.45Å
42W92.8Very high92.5Very high65 Ų6519.3 Ų19.325%0.2468%0.077CC..Hα-helixtrans-58.1-35.2177.763.6-91.1000112.7R39 L40 F45 W46 I62R39-W42 PolarHBondContact O-NE1 2.95Å; L40-W42 PolarHBondContact O-N 3.4Å; W42-F45 PolarHBondContact O-N 2.96Å; W42-W46 AromaticContact CE3-CD2 3.95Å; W42-W46 HydrophobicContact CE3-CD2 3.95Å; W42-W46 AromaticContact CE3-CE3 3.7Å; W42-W46 HydrophobicContact CE3-CE3 3.7Å; W42-W46 AromaticContact CE3-CH2 3.79Å; W42-W46 HydrophobicContact CE3-CH2 3.79Å; W42-W46 HydrophobicContact CE3-CZ2 4Å; W42-W46 AromaticContact CE3-CZ3 3.63Å; W42-W46 HydrophobicContact CE3-CZ3 3.63Å; W42-W46 HydrophobicContact CH2-CZ3 4.34Å; W42-W46 HydrophobicContact CZ3-CD2 4.27Å; W42-W46 AromaticContact CZ3-CE3 3.53Å; W42-W46 HydrophobicContact CZ3-CE3 3.53Å; W42-W46 AromaticContact CZ3-CH2 3.69Å; W42-W46 HydrophobicContact CZ3-CH2 3.69Å; W42-W46 HydrophobicContact CZ3-CZ2 4.37Å; W42-W46 AromaticContact CZ3-CZ3 3.22Å; W42-W46 HydrophobicContact CZ3-CZ3 3.22Å; W42-W46 VanDerWaalsContact O-CG 3.3Å; W42-W46 PolarHBondContact O-N 2.95Å; W42-I62 HydrophobicContact CB-CD1 3.79Å
43M90.4Very high92Very high5 Ų520.7 Ų20.73%0.0259%0.087CC..Hα-helixtrans-72.2-47.2-176.4-174.8-172.863.800110.5F5 L9 L40 D41 F45 W46 V47 F191F5-M43 HydrophobicContact CB-CG 4.32Å; F5-M43 HydrophobicContact CB-SD 4.41Å; F5-M43 HydrophobicContact CD1-SD 4.19Å; F5-M43 HydrophobicContact CG-SD 4.42Å; L9-M43 HydrophobicContact CD1-CE 3.85Å; L9-M43 HydrophobicContact CD1-CG 3.68Å; L9-M43 HydrophobicContact CD1-SD 3.79Å; L9-M43 HydrophobicContact CD2-CE 3.68Å; L9-M43 HydrophobicContact CD2-SD 4.42Å; L9-M43 HydrophobicContact CG-CE 4.29Å; L9-M43 HydrophobicContact CG-SD 4.45Å; L40-M43 HydrophobicContact CB-CE 4.25Å; L40-M43 HydrophobicContact CD1-CE 4.34Å; L40-M43 VanDerWaalsContact O-CB 3.27Å; L40-M43 WeakPolarHBondContact O-CB 3.45Å; L40-M43 PolarHBondContact O-N 3.37Å; D41-M43 PolarHBondContact O-N 2.85Å; M43-F45 VanDerWaalsContact C-N 3.3Å; M43-W46 PolarHBondContact O-N 3.45Å; M43-V47 PolarHBondContact O-N 2.88Å; M43-F191 HydrophobicContact CE-CD2 4.24Å; M43-F191 HydrophobicContact CE-CE1 4.44Å; M43-F191 HydrophobicContact CE-CE2 4.03Å; M43-F191 HydrophobicContact CE-CZ 4.16Å
44F91Very high91.4Very high1 Ų122.9 Ų22.90%0.00410%0.101CC..Hα-helixtrans-67.9-34.6174.6-59.8-68.3000111.4L9 V15 L40 D41 W46 V47 A48 Y180 F191 P197 V200 F202L9-F44 HydrophobicContact CD2-CD1 4.38Å; L9-F44 HydrophobicContact CD2-CE1 3.72Å; L9-F44 HydrophobicContact CD2-CZ 4.45Å; V15-F44 HydrophobicContact CB-CE1 4.48Å; V15-F44 HydrophobicContact CG1-CD1 4.05Å; V15-F44 HydrophobicContact CG1-CE1 3.87Å; V15-F44 HydrophobicContact CG2-CE1 4.25Å; L40-F44 HydrophobicContact CB-CD2 4.21Å; L40-F44 HydrophobicContact CB-CE2 3.72Å; L40-F44 VanDerWaalsContact O-CD2 3.29Å; L40-F44 WeakPolarHBondContact O-CD2 3.21Å; L40-F44 PolarHBondContact O-N 3.46Å; D41-F44 PolarHBondContact O-N 3.31Å; F44-W46 VanDerWaalsContact C-N 3.33Å; F44-W46 PolarHBondContact O-N 2.91Å; F44-V47 WeakPolarHBondContact O-CB 3.29Å; F44-V47 PolarHBondContact O-N 3.44Å; F44-V47 VanDerWaalsContact O-N 3.09Å; F44-A48 PolarHBondContact O-N 2.75Å; F44-Y180 AromaticContact CD2-CE1 3.88Å; F44-Y180 HydrophobicContact CD2-CE1 3.88Å; F44-Y180 WeakPolarHBondContact CD2-OH 3.09Å; F44-Y180 AromaticContact CE2-CE1 3.97Å; F44-Y180 HydrophobicContact CE2-CE1 3.97Å; F44-F191 HydrophobicContact CZ-CE2 4.46Å; F44-P197 HydrophobicContact CE1-CG 3.8Å; F44-P197 HydrophobicContact CE2-CG 4.14Å; F44-P197 HydrophobicContact CZ-CG 3.5Å; F44-V200 HydrophobicContact CB-CB 4.39Å; F44-V200 HydrophobicContact CB-CG1 4.1Å; F44-V200 HydrophobicContact CB-CG2 4.32Å; F44-V200 HydrophobicContact CD1-CG2 3.87Å; F44-V200 HydrophobicContact CD2-CG2 4.31Å; F44-V200 HydrophobicContact CE1-CG2 4.23Å; F44-V200 HydrophobicContact CG-CG1 4.46Å; F44-V200 HydrophobicContact CG-CG2 3.91Å; F44-F202 HydrophobicContact CB-CE2 4.1Å; F44-F202 HydrophobicContact CB-CZ 3.96Å
45F94Very high90.9Very high2 Ų229.8 Ų29.81%0.00913%0.131CC..Hα-helixtrans-66-34.8176.2-174.2-122.6000112.4I24 L32 M34 D41 W42 M43 V47 A48 L49 L114 I176 F202I24-F45 HydrophobicContact CD1-CE2 4.06Å; I24-F45 HydrophobicContact CD1-CZ 3.69Å; L32-F45 HydrophobicContact CD1-CE1 3.66Å; L32-F45 HydrophobicContact CD1-CZ 3.81Å; M34-F45 HydrophobicContact CE-CB 4.07Å; M34-F45 HydrophobicContact CE-CD1 4.35Å; M34-F45 HydrophobicContact CE-CG 4.12Å; M34-F45 HydrophobicContact SD-CB 4.39Å; M34-F45 HydrophobicContact SD-CD1 4.45Å; M34-F45 HydrophobicContact SD-CD2 3.98Å; M34-F45 HydrophobicContact SD-CE2 4.41Å; M34-F45 HydrophobicContact SD-CG 4.02Å; D41-F45 WeakPolarHBondContact O-CB 3.18Å; D41-F45 PolarHBondContact O-N 3.46Å; W42-F45 PolarHBondContact O-N 2.96Å; M43-F45 VanDerWaalsContact C-N 3.3Å; F45-V47 PolarHBondContact O-N 2.86Å; F45-A48 HydrophobicContact CD2-CB 4.17Å; F45-A48 CarbonylContact O-C 3.56Å; F45-A48 WeakPolarHBondContact O-CA 3.45Å; F45-A48 WeakPolarHBondContact O-CB 3.29Å; F45-A48 PolarHBondContact O-N 3.47Å; F45-L49 HydrophobicContact CD1-CD1 4.03Å; F45-L49 HydrophobicContact CD1-CG 4.2Å; F45-L49 HydrophobicContact CE1-CD1 3.72Å; F45-L49 HydrophobicContact CE1-CD2 3.93Å; F45-L49 HydrophobicContact CE1-CG 3.83Å; F45-L49 HydrophobicContact CE2-CD2 4.18Å; F45-L49 HydrophobicContact CE2-CG 4.29Å; F45-L49 HydrophobicContact CZ-CD1 4.25Å; F45-L49 HydrophobicContact CZ-CD2 3.58Å; F45-L49 HydrophobicContact CZ-CG 3.86Å; F45-L49 WeakPolarHBondContact O-CG 3.36Å; F45-L49 PolarHBondContact O-N 3.39Å; F45-L114 HydrophobicContact CD1-CD2 3.99Å; F45-L114 HydrophobicContact CE1-CD1 4.42Å; F45-L114 HydrophobicContact CE1-CD2 4.31Å; F45-I176 HydrophobicContact CE1-CD1 4.28Å; F45-I176 HydrophobicContact CE2-CD1 3.62Å; F45-I176 HydrophobicContact CE2-CG2 4.19Å; F45-I176 HydrophobicContact CZ-CD1 3.34Å; F45-F202 HydrophobicContact CB-CE1 3.83Å; F45-F202 HydrophobicContact CB-CZ 3.84Å; F45-F202 AromaticContact CD2-CD1 3.77Å; F45-F202 HydrophobicContact CD2-CD1 3.77Å; F45-F202 AromaticContact CD2-CE1 3.69Å; F45-F202 HydrophobicContact CD2-CE1 3.69Å; F45-F202 HydrophobicContact CD2-CG 4.39Å; F45-F202 HydrophobicContact CD2-CZ 4.25Å; F45-F202 HydrophobicContact CE2-CD1 4.47Å; F45-F202 HydrophobicContact CG-CE1 4.17Å
46W91.9Very high90.6Very high38 Ų3829.6 Ų29.614%0.14413%0.13CC..Hα-helixtrans-61.2-33.3171.1-75.2-2.8000113A2 W42 M43 F44 A48 F50 L57 I62 F83A2-W46 HydrophobicContact CB-CD2 3.82Å; A2-W46 HydrophobicContact CB-CE3 3.14Å; A2-W46 HydrophobicContact CB-CH2 3.98Å; A2-W46 HydrophobicContact CB-CZ3 3.22Å; W42-W46 AromaticContact CE3-CD2 3.95Å; W42-W46 HydrophobicContact CE3-CD2 3.95Å; W42-W46 AromaticContact CE3-CE3 3.7Å; W42-W46 HydrophobicContact CE3-CE3 3.7Å; W42-W46 AromaticContact CE3-CH2 3.79Å; W42-W46 HydrophobicContact CE3-CH2 3.79Å; W42-W46 HydrophobicContact CE3-CZ2 4Å; W42-W46 AromaticContact CE3-CZ3 3.63Å; W42-W46 HydrophobicContact CE3-CZ3 3.63Å; W42-W46 HydrophobicContact CH2-CZ3 4.34Å; W42-W46 HydrophobicContact CZ3-CD2 4.27Å; W42-W46 AromaticContact CZ3-CE3 3.53Å; W42-W46 HydrophobicContact CZ3-CE3 3.53Å; W42-W46 AromaticContact CZ3-CH2 3.69Å; W42-W46 HydrophobicContact CZ3-CH2 3.69Å; W42-W46 HydrophobicContact CZ3-CZ2 4.37Å; W42-W46 AromaticContact CZ3-CZ3 3.22Å; W42-W46 HydrophobicContact CZ3-CZ3 3.22Å; W42-W46 VanDerWaalsContact O-CG 3.3Å; W42-W46 PolarHBondContact O-N 2.95Å; M43-W46 PolarHBondContact O-N 3.45Å; F44-W46 VanDerWaalsContact C-N 3.33Å; F44-W46 PolarHBondContact O-N 2.91Å; W46-A48 VanDerWaalsContact C-N 3.35Å; W46-F50 WeakPolarHBondContact O-CB 3.11Å; W46-F50 PolarHBondContact O-N 2.66Å; W46-L57 HydrophobicContact CB-CD2 3.69Å; W46-L57 HydrophobicContact CG-CD2 3.73Å; W46-I62 HydrophobicContact CZ2-CD1 4.33Å; W46-F83 HydrophobicContact CZ2-CZ 4.37Å
47V87.4Confident90.4Very high5 Ų528.7 Ų28.73%0.0313%0.126CC..Hα-helixtrans-65.6-40.9172.2179.90000110.7K6 L9 V17 M43 F44 F45 F50 K51 F258K6-V47 HydrophobicContact CB-CG2 4.21Å; K6-V47 HydrophobicContact CD-CB 4.44Å; K6-V47 HydrophobicContact CD-CG1 4Å; K6-V47 HydrophobicContact CD-CG2 4.15Å; K6-V47 HydrophobicContact CG-CG1 4.41Å; K6-V47 HydrophobicContact CG-CG2 4.01Å; L9-V47 HydrophobicContact CD1-CG2 4.15Å; V17-V47 HydrophobicContact CB-CB 4.29Å; V17-V47 HydrophobicContact CB-CG1 3.81Å; V17-V47 HydrophobicContact CG1-CB 4.49Å; V17-V47 HydrophobicContact CG1-CG1 4.36Å; V17-V47 HydrophobicContact CG2-CB 3.87Å; V17-V47 HydrophobicContact CG2-CG1 3.7Å; M43-V47 PolarHBondContact O-N 2.88Å; F44-V47 WeakPolarHBondContact O-CB 3.29Å; F44-V47 PolarHBondContact O-N 3.44Å; F44-V47 VanDerWaalsContact O-N 3.09Å; F45-V47 PolarHBondContact O-N 2.86Å; V47-F50 PolarHBondContact O-N 2.87Å; V47-K51 PolarHBondContact O-N 2.92Å; V47-K51 VanDerWaalsContact O-N 3.13Å; V47-F258 HydrophobicContact CG1-CZ 4.03Å
48A90.1Very high90.1Very high0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-62.8-47.6174.800000112V17 V19 F44 F45 W46 F50 K51 Y52 F202V17-A48 HydrophobicContact CG1-CB 3.93Å; V19-A48 HydrophobicContact CG1-CB 3.73Å; F44-A48 PolarHBondContact O-N 2.75Å; F45-A48 HydrophobicContact CD2-CB 4.17Å; F45-A48 CarbonylContact O-C 3.56Å; F45-A48 WeakPolarHBondContact O-CA 3.45Å; F45-A48 WeakPolarHBondContact O-CB 3.29Å; F45-A48 PolarHBondContact O-N 3.47Å; W46-A48 VanDerWaalsContact C-N 3.35Å; A48-F50 VanDerWaalsContact C-N 3.3Å; A48-F50 PolarHBondContact O-N 2.76Å; A48-K51 VanDerWaalsContact O-CB 3.29Å; A48-K51 WeakPolarHBondContact O-CB 3.26Å; A48-K51 PolarHBondContact O-N 3.4Å; A48-Y52 WeakPolarHBondContact O-CD2 3.34Å; A48-Y52 PolarHBondContact O-N 3Å; A48-F202 HydrophobicContact CB-CD2 3.8Å; A48-F202 HydrophobicContact CB-CE2 4.16Å; A48-F202 HydrophobicContact CB-CG 4.25Å
49L91.2Very high90.1Very high5 Ų532.4 Ų32.43%0.02616%0.155CC..Hα-helixtrans-58-42.6175.8-69.5179.6000112.1I24 F45 K51 Y52 C53 L56 L57I24-L49 HydrophobicContact CB-CD2 4.46Å; I24-L49 HydrophobicContact CD1-CD2 3.77Å; I24-L49 HydrophobicContact CG2-CD2 4.33Å; F45-L49 HydrophobicContact CD1-CD1 4.03Å; F45-L49 HydrophobicContact CD1-CG 4.2Å; F45-L49 HydrophobicContact CE1-CD1 3.72Å; F45-L49 HydrophobicContact CE1-CD2 3.93Å; F45-L49 HydrophobicContact CE1-CG 3.83Å; F45-L49 HydrophobicContact CE2-CD2 4.18Å; F45-L49 HydrophobicContact CE2-CG 4.29Å; F45-L49 HydrophobicContact CZ-CD1 4.25Å; F45-L49 HydrophobicContact CZ-CD2 3.58Å; F45-L49 HydrophobicContact CZ-CG 3.86Å; F45-L49 WeakPolarHBondContact O-CG 3.36Å; F45-L49 PolarHBondContact O-N 3.39Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.63Å; L49-Y52 PolarHBondContact O-N 3.49Å; L49-C53 CarbonylContact O-C 3.58Å; L49-C53 PolarHBondContact O-N 3.49Å; L49-C53 VanDerWaalsContact O-O 3.1Å; L49-L56 HydrophobicContact CB-CB 4Å; L49-L56 HydrophobicContact CB-CD1 4.48Å; L49-L56 HydrophobicContact CD1-CB 4.5Å; L49-L56 HydrophobicContact CD2-CB 4.17Å; L49-L56 HydrophobicContact CD2-CD1 4.01Å; L49-L56 HydrophobicContact CG-CB 4.46Å; L49-L57 HydrophobicContact CB-CD2 3.86Å; L49-L57 HydrophobicContact CD1-CD2 4.12Å
50F87.2Confident90.2Very high4 Ų427.2 Ų27.22%0.01814%0.139CC..Hα-helixtrans-64.1-32.7177-171.3-86.2000112.7F3 K6 W46 V47 A48 Y52 P54 L57 F258 Q262 L266F3-F50 HydrophobicContact CD1-CD2 4.06Å; F3-F50 AromaticContact CD1-CE2 3.93Å; F3-F50 HydrophobicContact CD1-CE2 3.93Å; F3-F50 AromaticContact CE1-CD2 3.67Å; F3-F50 HydrophobicContact CE1-CD2 3.67Å; F3-F50 AromaticContact CE1-CE2 3.63Å; F3-F50 HydrophobicContact CE1-CE2 3.63Å; K6-F50 HydrophobicContact CD-CD1 4.42Å; W46-F50 WeakPolarHBondContact O-CB 3.11Å; W46-F50 PolarHBondContact O-N 2.66Å; V47-F50 PolarHBondContact O-N 2.87Å; A48-F50 VanDerWaalsContact C-N 3.3Å; A48-F50 PolarHBondContact O-N 2.76Å; F50-Y52 VanDerWaalsContact C-N 3.34Å; F50-P54 HydrophobicContact CD2-CB 3.85Å; F50-P54 HydrophobicContact CD2-CG 3.96Å; F50-P54 HydrophobicContact CE1-CG 4.46Å; F50-P54 HydrophobicContact CE2-CB 3.67Å; F50-P54 HydrophobicContact CE2-CG 3.67Å; F50-P54 HydrophobicContact CG-CG 4.48Å; F50-P54 HydrophobicContact CZ-CB 4.43Å; F50-P54 HydrophobicContact CZ-CG 3.96Å; F50-L57 HydrophobicContact CB-CD1 4.09Å; F50-L57 HydrophobicContact CD2-CD1 3.9Å; F50-L57 HydrophobicContact CG-CD1 4.47Å; F50-F258 AromaticContact CD1-CD1 3.98Å; F50-F258 HydrophobicContact CD1-CD1 3.98Å; F50-F258 AromaticContact CD1-CE1 3.69Å; F50-F258 HydrophobicContact CD1-CE1 3.69Å; F50-F258 HydrophobicContact CE1-CD1 4.16Å; F50-F258 HydrophobicContact CE1-CE1 4.31Å; F50-Q262 HydrophobicContact CE1-CB 3.8Å; F50-Q262 HydrophobicContact CE1-CG 3.95Å; F50-Q262 HydrophobicContact CZ-CB 4.36Å; F50-Q262 HydrophobicContact CZ-CG 4.44Å; F50-Q262 PolarHBondContact O-NE2 3.45Å; F50-Q262 VanDerWaalsContact O-NE2 3.15Å; F50-L266 HydrophobicContact CD1-CD1 4.38Å; F50-L266 HydrophobicContact CD1-CD2 4.22Å; F50-L266 HydrophobicContact CD2-CD2 4.21Å; F50-L266 HydrophobicContact CE1-CD1 3.67Å; F50-L266 HydrophobicContact CE1-CD2 3.73Å; F50-L266 HydrophobicContact CE1-CG 3.66Å; F50-L266 HydrophobicContact CE2-CD2 3.74Å; F50-L266 HydrophobicContact CE2-CG 4.29Å; F50-L266 HydrophobicContact CG-CD2 4.43Å; F50-L266 HydrophobicContact CZ-CD1 4.08Å; F50-L266 HydrophobicContact CZ-CD2 3.47Å; F50-L266 VanDerWaalsContact CZ-CD2 3.47Å; F50-L266 HydrophobicContact CZ-CG 3.52Å
51K85.1Confident90.4Very high28 Ų2827.2 Ų27.212%0.12214%0.139CC..Hα-helixtrans-60.6-44.6173.4-76.7-176.9163.3-147.40111.2V17 V47 A48 L49 K255 N256 F258 Q262V17-K51 VanDerWaalsContact O-CE 3.27Å; V17-K51 WeakPolarHBondContact O-CE 3.27Å; V17-K51 PolarHBondContact O-NZ 3.48Å; V47-K51 PolarHBondContact O-N 2.92Å; V47-K51 VanDerWaalsContact O-N 3.13Å; A48-K51 VanDerWaalsContact O-CB 3.29Å; A48-K51 WeakPolarHBondContact O-CB 3.26Å; A48-K51 PolarHBondContact O-N 3.4Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.63Å; K51-K255 PolarHBondContact NZ-O 2.97Å; K51-N256 PolarHBondContact NZ-O 2.9Å; K51-F258 HydrophobicContact CB-CE1 4.01Å; K51-F258 HydrophobicContact CD-CE1 4.18Å; K51-F258 HydrophobicContact CD-CZ 3.95Å; K51-F258 HydrophobicContact CG-CD1 4.04Å; K51-F258 HydrophobicContact CG-CE1 3.08Å; K51-F258 HydrophobicContact CG-CE2 4.43Å; K51-F258 HydrophobicContact CG-CZ 3.29Å; K51-Q262 PolarHBondContact O-NE2 3.48Å
52Y87.4Confident90.6Very high42 Ų4227.5 Ų27.517%0.16514%0.141CC..Hα-helixtrans-68.4-59.7177.1-61.1-53.9000111.4V19 E22 C23 I24 A48 L49 F50 V204V19-Y52 HydrophobicContact CB-CE1 4.21Å; V19-Y52 WeakPolarHBondContact CB-OH 3.28Å; V19-Y52 HydrophobicContact CG1-CE2 4.29Å; V19-Y52 HydrophobicContact CG2-CE1 4Å; E22-Y52 PolarHBondContact O-OH 2.92Å; C23-Y52 HydrophobicContact CB-CD1 3.76Å; C23-Y52 HydrophobicContact CB-CE1 3.92Å; C23-Y52 VanDerWaalsContact SG-CE1 3.59Å; I24-Y52 HydrophobicContact CB-CD2 4.11Å; I24-Y52 HydrophobicContact CB-CE2 4.39Å; I24-Y52 HydrophobicContact CD1-CE2 4.3Å; I24-Y52 HydrophobicContact CG1-CD2 4.36Å; I24-Y52 HydrophobicContact CG1-CE2 4.14Å; A48-Y52 WeakPolarHBondContact O-CD2 3.34Å; A48-Y52 PolarHBondContact O-N 3Å; L49-Y52 PolarHBondContact O-N 3.49Å; F50-Y52 VanDerWaalsContact C-N 3.34Å; Y52-V204 WeakPolarHBondContact OH-CG2 3.33Å
53C88Confident90.8Very high31 Ų3125.2 Ų25.221%0.20913%0.133CC..  trans-161.3124179.6-173.90000111L49 K55 L56L49-C53 CarbonylContact O-C 3.58Å; L49-C53 PolarHBondContact O-N 3.49Å; L49-C53 VanDerWaalsContact O-O 3.1Å; C53-K55 PolarHBondContact O-N 2.99Å; C53-L56 HydrophobicContact CB-CD1 4.06Å; C53-L56 HydrophobicContact CB-CG 4.28Å; C53-L56 WeakPolarHBondContact O-CB 3.34Å; C53-L56 PolarHBondContact O-N 2.85Å
54P86.6Confident91.1Very high45 Ų4526.3 Ų26.329%0.29214%0.139SC..THydrogen-bonded Turntrans-54.6-27.3177.4-29.136.6000115F50 L56 L57F50-P54 HydrophobicContact CD2-CB 3.85Å; F50-P54 HydrophobicContact CD2-CG 3.96Å; F50-P54 HydrophobicContact CE1-CG 4.46Å; F50-P54 HydrophobicContact CE2-CB 3.67Å; F50-P54 HydrophobicContact CE2-CG 3.67Å; F50-P54 HydrophobicContact CG-CG 4.48Å; F50-P54 HydrophobicContact CZ-CB 4.43Å; F50-P54 HydrophobicContact CZ-CG 3.96Å; P54-L56 PolarHBondContact O-N 3.32Å; P54-L57 PolarHBondContact O-N 3.3Å
55K88.7Confident91.3Very high145 Ų14531.5 Ų31.563%0.6316%0.162SC*.THydrogen-bonded Turntrans-62.5-26.8176.8-66.3-176.3177.1-179.20113.1C53 L57 T58 T59C53-K55 PolarHBondContact O-N 2.99Å; K55-L57 PolarHBondContact O-N 3.47Å; K55-L57 VanDerWaalsContact O-N 3.16Å; K55-T58 PolarHBondContact O-N 2.94Å; K55-T58 PolarHBondContact O-OG1 3.26Å; K55-T59 PolarHBondContact O-OG1 2.84Å
56L91.9Very high91.4Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-61.6-25.2177.2-71.8162.9000112.7I24 L49 C53 P54 T58 G60 Q112I24-L56 HydrophobicContact CB-CD1 4.23Å; I24-L56 HydrophobicContact CG2-CD1 4.1Å; I24-L56 HydrophobicContact CG2-CD2 3.76Å; L49-L56 HydrophobicContact CB-CB 4Å; L49-L56 HydrophobicContact CB-CD1 4.48Å; L49-L56 HydrophobicContact CD1-CB 4.5Å; L49-L56 HydrophobicContact CD2-CB 4.17Å; L49-L56 HydrophobicContact CD2-CD1 4.01Å; L49-L56 HydrophobicContact CG-CB 4.46Å; C53-L56 HydrophobicContact CB-CD1 4.06Å; C53-L56 HydrophobicContact CB-CG 4.28Å; C53-L56 WeakPolarHBondContact O-CB 3.34Å; C53-L56 PolarHBondContact O-N 2.85Å; P54-L56 PolarHBondContact O-N 3.32Å; L56-T58 PolarHBondContact O-N 3.43Å; L56-G60 PolarHBondContact O-N 3.31Å; L56-Q112 HydrophobicContact CD2-CG 4.12Å
57L90.7Very high91.4Very high9 Ų933.8 Ų33.85%0.04718%0.184CC..Hα-helixtrans-74.2-14176.7-63.3-172.2000113.4F3 W46 L49 F50 P54 K55 K81F3-L57 HydrophobicContact CD1-CD1 3.95Å; F3-L57 HydrophobicContact CE1-CB 4.46Å; F3-L57 HydrophobicContact CE1-CD1 3.49Å; F3-L57 VanDerWaalsContact CE1-CD1 3.49Å; F3-L57 HydrophobicContact CE2-CB 4.34Å; F3-L57 HydrophobicContact CE2-CD1 4.33Å; F3-L57 HydrophobicContact CZ-CB 3.85Å; F3-L57 HydrophobicContact CZ-CD1 3.7Å; F3-L57 HydrophobicContact CZ-CG 4.38Å; W46-L57 HydrophobicContact CB-CD2 3.69Å; W46-L57 HydrophobicContact CG-CD2 3.73Å; L49-L57 HydrophobicContact CB-CD2 3.86Å; L49-L57 HydrophobicContact CD1-CD2 4.12Å; F50-L57 HydrophobicContact CB-CD1 4.09Å; F50-L57 HydrophobicContact CD2-CD1 3.9Å; F50-L57 HydrophobicContact CG-CD1 4.47Å; P54-L57 PolarHBondContact O-N 3.3Å; K55-L57 PolarHBondContact O-N 3.47Å; K55-L57 VanDerWaalsContact O-N 3.16Å; L57-K81 PolarHBondContact O-NZ 2.96Å
58T89.7Confident91.7Very high98 Ų9836.6 Ų36.660%0.60120%0.198SC*.Hα-helixtrans-95.2-25.3178.864.80000112.8K55 L56K55-T58 PolarHBondContact O-N 2.94Å; K55-T58 PolarHBondContact O-OG1 3.26Å; L56-T58 PolarHBondContact O-N 3.43Å
59T90.9Very high91.8Very high32 Ų3237.5 Ų37.520%0.19620%0.202CC..Hα-helixtrans-103.3-7.6-174.349.90000114.1K55 P110 F111 Q112K55-T59 PolarHBondContact O-OG1 2.84Å; T59-P110 WeakPolarHBondContact CB-O 3.29Å; T59-P110 WeakPolarHBondContact CG2-O 3.48Å; T59-F111 WeakPolarHBondContact O-CA 3.29Å; T59-Q112 PolarHBondContact O-N 3.35Å; T59-Q112 VanDerWaalsContact O-N 3.11Å; T59-Q112 PolarHBondContact OG1-OE1 2.99Å
60G93.4Very high91.7Very high14 Ų1440.8 Ų40.814%0.14422%0.22CC..EExtended strand (participates in β ladder)trans-80.5138.5-179.500000114.2L56 K81 F83 Q112L56-G60 PolarHBondContact O-N 3.31Å; G60-K81 VanDerWaalsContact O-CE 3.23Å; G60-K81 WeakPolarHBondContact O-CE 3.05Å; G60-F83 WeakPolarHBondContact O-CE1 3.36Å; G60-Q112 CarbonylContact C-O 3.54Å; G60-Q112 WeakPolarHBondContact CA-O 3.24Å
61A96.6Very high91.9Very high2 Ų243.5 Ų43.52%0.01724%0.237CC..EExtended strand (participates in β ladder)trans-124.4150.7170.300000110.7F83 Y104 Q112 L114A61-F83 HydrophobicContact CB-CD1 4.02Å; A61-F83 HydrophobicContact CB-CE1 4.39Å; A61-Y104 HydrophobicContact CB-CE1 4.4Å; A61-Y104 HydrophobicContact CB-CE2 4.46Å; A61-Y104 WeakPolarHBondContact CB-OH 3.32Å; A61-Q112 PolarHBondContact N-O 3.5Å; A61-Q112 VanDerWaalsContact O-O 3.11Å; A61-L114 PolarHBondContact O-N 2.83Å
62I97.5Very high92.2Very high6 Ų645.5 Ų45.53%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-121.8136.8-179.6-50.2179.6000108.7W42 W46 L64 F83 V84 L114 F116W42-I62 HydrophobicContact CB-CD1 3.79Å; W46-I62 HydrophobicContact CZ2-CD1 4.33Å; I62-L64 HydrophobicContact CB-CD2 4.24Å; I62-L64 HydrophobicContact CB-CG 4.17Å; I62-L64 HydrophobicContact CG2-CD2 3.58Å; I62-L64 HydrophobicContact CG2-CG 3.97Å; I62-F83 HydrophobicContact CB-CD2 4.02Å; I62-F83 HydrophobicContact CB-CE2 3.87Å; I62-F83 HydrophobicContact CB-CZ 4.27Å; I62-F83 HydrophobicContact CD1-CE2 3.89Å; I62-F83 HydrophobicContact CD1-CZ 4.05Å; I62-F83 HydrophobicContact CG1-CD2 4.44Å; I62-F83 HydrophobicContact CG1-CE1 4.47Å; I62-F83 HydrophobicContact CG1-CE2 3.8Å; I62-F83 HydrophobicContact CG1-CZ 3.8Å; I62-F83 WeakPolarHBondContact O-CB 3.42Å; I62-V84 PolarHBondContact O-N 3.06Å; I62-L114 HydrophobicContact CD1-CD2 4.34Å; I62-L114 HydrophobicContact CG1-CB 4.32Å; I62-L114 HydrophobicContact CG1-CD2 4.2Å; I62-L114 HydrophobicContact CG2-CB 4.46Å; I62-L114 HydrophobicContact CG2-CD2 4.24Å; I62-L114 HydrophobicContact CG2-CG 4.43Å; I62-F116 HydrophobicContact CG2-CE2 4.16Å
63I98.1Very high92.3Very high18 Ų1845.2 Ų45.29%0.09226%0.262CS..EExtended strand (participates in β ladder)trans-80.2119.4168.8-53.2-160.9000108.8V84 L86 L97 V113 L114 V115 L156I63-V84 CarbonylContact C-O 3.49Å; I63-V84 WeakPolarHBondContact CA-O 3.45Å; I63-V84 HydrophobicContact CB-CB 4.48Å; I63-V84 HydrophobicContact CG1-CB 4.03Å; I63-V84 HydrophobicContact CG1-CG1 4.48Å; I63-V84 HydrophobicContact CG1-CG2 4.45Å; I63-V84 HydrophobicContact CG2-CB 4.49Å; I63-V84 HydrophobicContact CG2-CG1 4.47Å; I63-L86 HydrophobicContact CG2-CD1 3.39Å; I63-L86 HydrophobicContact CG2-CG 3.68Å; I63-L97 HydrophobicContact CD1-CD2 4.23Å; I63-V113 HydrophobicContact CD1-CG1 3.99Å; I63-V113 HydrophobicContact CG1-CG1 3.84Å; I63-L114 PolarHBondContact N-O 3.48Å; I63-V115 HydrophobicContact CD1-CB 4Å; I63-V115 HydrophobicContact CD1-CG2 4.08Å; I63-V115 HydrophobicContact CG1-CB 4.28Å; I63-L156 HydrophobicContact CD1-CD1 4.42Å; I63-L156 HydrophobicContact CD1-CD2 3.54Å
64L96.4Very high92.4Very high28 Ų2845.4 Ų45.415%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-129.1164.6-170.2-68.1-176.7000112.1I62 L68 M78 F83 V84 F85 L86I62-L64 HydrophobicContact CB-CD2 4.24Å; I62-L64 HydrophobicContact CB-CG 4.17Å; I62-L64 HydrophobicContact CG2-CD2 3.58Å; I62-L64 HydrophobicContact CG2-CG 3.97Å; L64-L68 HydrophobicContact CB-CD1 4.07Å; L64-L68 HydrophobicContact CD1-CD1 4.19Å; L64-L68 HydrophobicContact CD2-CD1 4.14Å; L64-L68 HydrophobicContact CG-CD1 4.39Å; L64-M78 HydrophobicContact CD1-CG 4.47Å; L64-M78 HydrophobicContact CD1-SD 3.32Å; L64-M78 WeakPolarHBondContact CD1-SD 3.22Å; L64-F83 HydrophobicContact CD1-CD2 3.6Å; L64-F83 HydrophobicContact CD1-CE2 4.22Å; L64-F83 HydrophobicContact CG-CD2 4.36Å; L64-V84 PolarHBondContact N-O 3.33Å; L64-F85 HydrophobicContact CB-CD1 4.31Å; L64-F85 HydrophobicContact CB-CE1 4.46Å; L64-F85 HydrophobicContact CD1-CE1 4.46Å; L64-F85 WeakPolarHBondContact O-CA 3.5Å; L64-L86 PolarHBondContact O-N 3.25Å
65K95.4Very high92.8Very high110 Ų11043.3 Ų43.348%0.47825%0.252SS..EExtended strand (participates in β ladder)trans-68.4135.8170.4-172.6180175.6-177.20110.3S67 L68 L86K65-S67 VanDerWaalsContact CD-OG 3.31Å; K65-S67 WeakPolarHBondContact CD-OG 3.09Å; K65-S67 WeakPolarHBondContact CE-OG 3.11Å; K65-S67 PolarHBondContact O-N 3.47Å; K65-L68 WeakPolarHBondContact O-CB 3.21Å; K65-L68 PolarHBondContact O-N 2.72Å; K65-L86 CarbonylContact C-O 3.51Å
66S94.4Very high93.1Very high29 Ų2937.7 Ų37.720%0.20323%0.227CC..G310 helixtrans-59.7-30.1-176.6650000114.2L68 K69 L86 D87S66-L68 PolarHBondContact O-N 2.9Å; S66-L68 VanDerWaalsContact O-N 3.09Å; S66-K69 WeakPolarHBondContact O-CB 3.16Å; S66-K69 PolarHBondContact O-N 3.36Å; S66-L86 PolarHBondContact N-O 3.44Å; S66-D87 WeakPolarHBondContact CB-OD1 3.48Å; S66-D87 WeakPolarHBondContact OG-CA 3.33Å; S66-D87 PolarHBondContact OG-OD1 3.44Å
67S93.5Very high93.2Very high59 Ų5940.6 Ų40.641%0.41325%0.248SC..G310 helixtrans-58.6-24.9174.364.10000114K65 K69 N70K65-S67 VanDerWaalsContact CD-OG 3.31Å; K65-S67 WeakPolarHBondContact CD-OG 3.09Å; K65-S67 WeakPolarHBondContact CE-OG 3.11Å; K65-S67 PolarHBondContact O-N 3.47Å; S67-K69 PolarHBondContact O-N 3.45Å; S67-N70 PolarHBondContact O-N 3.23Å
68L93.1Very high93.4Very high63 Ų6342 Ų4233%0.3325%0.254SS..G310 helixtrans-69.7-20177.6-69.5171.8000112.9L64 K65 S66 N70 V71 G75 M78 F85L64-L68 HydrophobicContact CB-CD1 4.07Å; L64-L68 HydrophobicContact CD1-CD1 4.19Å; L64-L68 HydrophobicContact CD2-CD1 4.14Å; L64-L68 HydrophobicContact CG-CD1 4.39Å; K65-L68 WeakPolarHBondContact O-CB 3.21Å; K65-L68 PolarHBondContact O-N 2.72Å; S66-L68 PolarHBondContact O-N 2.9Å; S66-L68 VanDerWaalsContact O-N 3.09Å; L68-N70 PolarHBondContact O-N 2.81Å; L68-V71 PolarHBondContact O-N 3Å; L68-G75 WeakPolarHBondContact O-CA 3.27Å; L68-M78 HydrophobicContact CB-CE 4.3Å; L68-F85 HydrophobicContact CB-CE1 4.47Å
69K92.1Very high93.7Very high19 Ų1937.4 Ų37.48%0.08323%0.226CC..G310 helixtrans-57.4-33.5176-170.2172.7-167.91460112.8S66 S67 G75 Q79 F85 G310 D313S66-K69 WeakPolarHBondContact O-CB 3.16Å; S66-K69 PolarHBondContact O-N 3.36Å; S67-K69 PolarHBondContact O-N 3.45Å; K69-G75 CarbonylContact O-C 3.38Å; K69-G75 WeakPolarHBondContact O-CA 3.42Å; K69-Q79 HydrophobicContact CD-CG 4.33Å; K69-Q79 VanDerWaalsContact CE-CD 3.46Å; K69-Q79 HydrophobicContact CG-CG 3.56Å; K69-Q79 VanDerWaalsContact CG-NE2 3.35Å; K69-Q79 PolarHBondContact O-NE2 2.87Å; K69-F85 HydrophobicContact CB-CD1 3.92Å; K69-F85 HydrophobicContact CB-CE1 3.92Å; K69-F85 HydrophobicContact CB-CG 4.31Å; K69-F85 HydrophobicContact CB-CZ 4.32Å; K69-F85 HydrophobicContact CD-CD2 4.46Å; K69-F85 HydrophobicContact CD-CG 4.48Å; K69-F85 HydrophobicContact CG-CE2 4.5Å; K69-F85 HydrophobicContact CG-CZ 4.46Å; K69-G310 WeakPolarHBondContact CE-O 3.29Å; K69-G310 PolarHBondContact NZ-O 2.71Å; K69-D313 WeakPolarHBondContact CE-OD1 3.27Å; K69-D313 IonicContact NZ-OD1 2.75Å; K69-D313 PolarHBondContact NZ-OD1 3.43Å; K69-D313 IonicContact NZ-OD2 2.66Å; K69-D313 PolarHBondContact NZ-OD2 2.88Å
70N88.6Confident93.9Very high74 Ų7438.8 Ų38.840%0.39624%0.236SC..G310 helixtrans-92.4-0.3-168.9-60.5-11.2000113S67 L68 P72 E306S67-N70 PolarHBondContact O-N 3.23Å; L68-N70 PolarHBondContact O-N 2.81Å; N70-P72 VanDerWaalsContact O-CD 3.29Å; N70-P72 WeakPolarHBondContact O-CD 3.42Å; N70-E306 VanDerWaalsContact OD1-CD 3.28Å; N70-E306 PolarHBondContact OD1-OE1 3.23Å; N70-E306 PolarHBondContact OD1-OE2 3.4Å
71V92.1Very high93.9Very high62 Ų6241.2 Ų41.238%0.37624%0.243SC..SBendtrans-72.6118.4176.1-178.90000108.9L68 G73 A74 G75L68-V71 PolarHBondContact O-N 3Å; V71-G73 PolarHBondContact O-N 3.42Å; V71-A74 HydrophobicContact CG1-CB 4.07Å; V71-G75 WeakPolarHBondContact O-CA 3.44Å; V71-G75 PolarHBondContact O-N 3.21Å
72P91Very high93.9Very high70 Ų7041.3 Ų41.346%0.45524%0.243SC..THydrogen-bonded Turntrans-58138.5-179.9-26.837.2000112.4N70 A74 W76 F299N70-P72 VanDerWaalsContact O-CD 3.29Å; N70-P72 WeakPolarHBondContact O-CD 3.42Å; P72-A74 PolarHBondContact O-N 3.42Å; P72-W76 HydrophobicContact CB-CH2 3.83Å; P72-W76 HydrophobicContact CB-CZ2 3.77Å; P72-W76 HydrophobicContact CB-CZ3 4.36Å; P72-W76 HydrophobicContact CG-CZ2 4.28Å; P72-F299 HydrophobicContact CB-CE1 3.89Å; P72-F299 HydrophobicContact CB-CZ 3.65Å; P72-F299 HydrophobicContact CG-CE1 3.59Å; P72-F299 HydrophobicContact CG-CZ 3.73Å
73G89Confident93.9Very high35 Ų3541.4 Ų41.436%0.36124%0.243SC..THydrogen-bonded Turntrans73.4-65-175.800000113.5V71 S77V71-G73 PolarHBondContact O-N 3.42Å; G73-S77 WeakPolarHBondContact O-CB 3.2Å; G73-S77 PolarHBondContact O-N 3.09Å
74A91.1Very high93.9Very high36 Ų3640.6 Ų40.630%0.29824%0.239SC..Hα-helixtrans-68.3-51.8-176.400000112.2V71 P72 W76 S77 M78V71-A74 HydrophobicContact CG1-CB 4.07Å; P72-A74 PolarHBondContact O-N 3.42Å; A74-W76 VanDerWaalsContact C-N 3.35Å; A74-W76 PolarHBondContact O-N 2.95Å; A74-S77 WeakPolarHBondContact O-CB 3.47Å; A74-S77 PolarHBondContact O-N 3Å; A74-M78 HydrophobicContact CB-CE 4.29Å; A74-M78 WeakPolarHBondContact O-CE 3.3Å; A74-M78 WeakPolarHBondContact O-CG 3.29Å; A74-M78 PolarHBondContact O-N 3.26Å
75G94.4Very high93.9Very high0 Ų039.7 Ų39.70%023%0.234CC..Hα-helixtrans-59-45.6175.600000112.1L68 K69 V71 S77 M78 Q79L68-G75 WeakPolarHBondContact O-CA 3.27Å; K69-G75 CarbonylContact O-C 3.38Å; K69-G75 WeakPolarHBondContact O-CA 3.42Å; V71-G75 WeakPolarHBondContact O-CA 3.44Å; V71-G75 PolarHBondContact O-N 3.21Å; G75-S77 PolarHBondContact O-N 3.43Å; G75-M78 WeakPolarHBondContact O-CB 3.39Å; G75-M78 PolarHBondContact O-N 3.37Å; G75-M78 VanDerWaalsContact O-N 3.17Å; G75-Q79 WeakPolarHBondContact O-CG 2.99Å; G75-Q79 PolarHBondContact O-N 3.4Å
76W94.8Very high94Very high27 Ų2735.1 Ų35.110%0.10222%0.215CC..Hα-helixtrans-59.1-44.5175.6-58.8-15.4000112.7P72 A74 M78 Q79 C80 F299 F302P72-W76 HydrophobicContact CB-CH2 3.83Å; P72-W76 HydrophobicContact CB-CZ2 3.77Å; P72-W76 HydrophobicContact CB-CZ3 4.36Å; P72-W76 HydrophobicContact CG-CZ2 4.28Å; A74-W76 VanDerWaalsContact C-N 3.35Å; A74-W76 PolarHBondContact O-N 2.95Å; W76-M78 VanDerWaalsContact C-N 3.34Å; W76-M78 PolarHBondContact O-N 2.68Å; W76-Q79 WeakPolarHBondContact O-CB 3.24Å; W76-Q79 PolarHBondContact O-N 2.89Å; W76-C80 PolarHBondContact O-N 3.17Å; W76-C80 PolarHBondContact O-SG 2.94Å; W76-F299 HydrophobicContact CH2-CB 4.49Å; W76-F299 AromaticContact CH2-CD1 3.74Å; W76-F299 HydrophobicContact CH2-CD1 3.74Å; W76-F299 AromaticContact CH2-CD2 3.78Å; W76-F299 HydrophobicContact CH2-CD2 3.78Å; W76-F299 AromaticContact CH2-CE1 3.8Å; W76-F299 HydrophobicContact CH2-CE1 3.8Å; W76-F299 AromaticContact CH2-CE2 3.82Å; W76-F299 HydrophobicContact CH2-CE2 3.82Å; W76-F299 AromaticContact CH2-CG 3.73Å; W76-F299 HydrophobicContact CH2-CG 3.73Å; W76-F299 AromaticContact CH2-CZ 3.83Å; W76-F299 HydrophobicContact CH2-CZ 3.83Å; W76-F299 AromaticContact CZ2-CD1 3.66Å; W76-F299 HydrophobicContact CZ2-CD1 3.66Å; W76-F299 AromaticContact CZ2-CE1 3.77Å; W76-F299 HydrophobicContact CZ2-CE1 3.77Å; W76-F299 HydrophobicContact CZ2-CG 4.06Å; W76-F299 HydrophobicContact CZ2-CZ 4.24Å; W76-F302 HydrophobicContact CB-CD1 3.79Å; W76-F302 HydrophobicContact CB-CD2 4.24Å; W76-F302 HydrophobicContact CB-CE1 3.54Å; W76-F302 HydrophobicContact CB-CE2 4.04Å; W76-F302 HydrophobicContact CB-CG 4.15Å; W76-F302 HydrophobicContact CB-CZ 3.69Å; W76-F302 AromaticContact CD1-CD1 3.72Å; W76-F302 AromaticContact CD1-CG 3.73Å; W76-F302 HydrophobicContact CD2-CB 4.06Å; W76-F302 HydrophobicContact CD2-CD1 4.21Å; W76-F302 AromaticContact CD2-CD2 3.53Å; W76-F302 HydrophobicContact CD2-CD2 3.53Å; W76-F302 HydrophobicContact CD2-CE2 4.02Å; W76-F302 AromaticContact CD2-CG 3.66Å; W76-F302 HydrophobicContact CD2-CG 3.66Å; W76-F302 AromaticContact CE2-CG 3.9Å; W76-F302 AromaticContact CE3-CD2 3.62Å; W76-F302 HydrophobicContact CE3-CD2 3.62Å; W76-F302 AromaticContact CE3-CE2 3.88Å; W76-F302 HydrophobicContact CE3-CE2 3.88Å; W76-F302 HydrophobicContact CE3-CG 4.25Å; W76-F302 HydrophobicContact CG-CB 4.17Å; W76-F302 AromaticContact CG-CD1 3.63Å; W76-F302 HydrophobicContact CG-CD1 3.63Å; W76-F302 AromaticContact CG-CD2 3.82Å; W76-F302 HydrophobicContact CG-CD2 3.82Å; W76-F302 AromaticContact CG-CE1 3.91Å; W76-F302 HydrophobicContact CG-CE1 3.91Å; W76-F302 HydrophobicContact CG-CE2 4.11Å; W76-F302 AromaticContact CG-CG 3.59Å; W76-F302 HydrophobicContact CG-CG 3.59Å; W76-F302 HydrophobicContact CG-CZ 4.16Å; W76-F302 HydrophobicContact CZ2-CB 4.27Å; W76-F302 HydrophobicContact CZ3-CD2 4.22Å; W76-F302 AromaticContact NE1-CG 3.91Å
77S93.7Very high94Very high62 Ų6237.7 Ų37.743%0.43423%0.226SC..Hα-helixtrans-61.8-41.4175-179.40000112G73 A74 G75 C80 K81G73-S77 WeakPolarHBondContact O-CB 3.2Å; G73-S77 PolarHBondContact O-N 3.09Å; A74-S77 WeakPolarHBondContact O-CB 3.47Å; A74-S77 PolarHBondContact O-N 3Å; G75-S77 PolarHBondContact O-N 3.43Å; S77-C80 PolarHBondContact O-N 2.86Å; S77-K81 WeakPolarHBondContact O-CB 3.41Å; S77-K81 PolarHBondContact O-N 3.01Å
78M95.7Very high94Very high38 Ų3840.9 Ų40.919%0.18723%0.229CC..Hα-helixtrans-65.3-38176.1-69.6-176.5-79.500112L64 L68 A74 G75 W76 K81 N82 F83 F85L64-M78 HydrophobicContact CD1-CG 4.47Å; L64-M78 HydrophobicContact CD1-SD 3.32Å; L64-M78 WeakPolarHBondContact CD1-SD 3.22Å; L68-M78 HydrophobicContact CB-CE 4.3Å; A74-M78 HydrophobicContact CB-CE 4.29Å; A74-M78 WeakPolarHBondContact O-CE 3.3Å; A74-M78 WeakPolarHBondContact O-CG 3.29Å; A74-M78 PolarHBondContact O-N 3.26Å; G75-M78 WeakPolarHBondContact O-CB 3.39Å; G75-M78 PolarHBondContact O-N 3.37Å; G75-M78 VanDerWaalsContact O-N 3.17Å; W76-M78 VanDerWaalsContact C-N 3.34Å; W76-M78 PolarHBondContact O-N 2.68Å; M78-K81 PolarHBondContact O-N 3.23Å; M78-N82 PolarHBondContact O-N 3.44Å; M78-F83 HydrophobicContact CB-CB 4.34Å; M78-F83 HydrophobicContact CB-CD2 3.74Å; M78-F83 HydrophobicContact CB-CE2 4.35Å; M78-F83 HydrophobicContact CB-CG 4.19Å; M78-F83 HydrophobicContact CG-CD2 3.67Å; M78-F83 HydrophobicContact CG-CE2 3.82Å; M78-F83 WeakPolarHBondContact O-CB 3.41Å; M78-F83 PolarHBondContact O-N 2.97Å; M78-F83 HydrophobicContact SD-CD2 4.05Å; M78-F83 HydrophobicContact SD-CE2 4.19Å; M78-F85 HydrophobicContact CB-CE1 4.43Å; M78-F85 HydrophobicContact CB-CZ 3.74Å
79Q96Very high94.1Very high1 Ų140.6 Ų40.61%0.00523%0.232CC..Hα-helixtrans-63-47.9172-66.3178.966.700111.9K69 G75 W76 K81 N82 F85 M312 D313K69-Q79 HydrophobicContact CD-CG 4.33Å; K69-Q79 VanDerWaalsContact CE-CD 3.46Å; K69-Q79 HydrophobicContact CG-CG 3.56Å; K69-Q79 VanDerWaalsContact CG-NE2 3.35Å; K69-Q79 PolarHBondContact O-NE2 2.87Å; G75-Q79 WeakPolarHBondContact O-CG 2.99Å; G75-Q79 PolarHBondContact O-N 3.4Å; W76-Q79 WeakPolarHBondContact O-CB 3.24Å; W76-Q79 PolarHBondContact O-N 2.89Å; Q79-K81 PolarHBondContact O-N 3.31Å; Q79-N82 WeakPolarHBondContact O-CA 3.39Å; Q79-N82 PolarHBondContact O-N 3.28Å; Q79-F85 HydrophobicContact CB-CE2 4.42Å; Q79-F85 HydrophobicContact CG-CE2 3.8Å; Q79-F85 HydrophobicContact CG-CZ 4Å; Q79-M312 HydrophobicContact CB-CB 3.96Å; Q79-D313 HydrophobicContact CB-CB 4.47Å; Q79-D313 WeakPolarHBondContact CG-OD1 3.11Å; Q79-D313 PolarHBondContact OE1-OD1 3.37Å
80C95.2Very high94.2Very high61 Ų6144.5 Ų44.541%0.41225%0.247SC..Hα-helixtrans-65.6-21.5177.7-64.50000113.1W76 S77W76-C80 PolarHBondContact O-N 3.17Å; W76-C80 PolarHBondContact O-SG 2.94Å; S77-C80 PolarHBondContact O-N 2.86Å
81K94.4Very high94.5Very high65 Ų6547.3 Ų47.328%0.28326%0.262SS..THydrogen-bonded Turntrans-84.92.4171-160.3161.4-177.6-168.90113L57 G60 S77 M78 Q79 F83L57-K81 PolarHBondContact O-NZ 2.96Å; G60-K81 VanDerWaalsContact O-CE 3.23Å; G60-K81 WeakPolarHBondContact O-CE 3.05Å; S77-K81 WeakPolarHBondContact O-CB 3.41Å; S77-K81 PolarHBondContact O-N 3.01Å; M78-K81 PolarHBondContact O-N 3.23Å; Q79-K81 PolarHBondContact O-N 3.31Å; K81-F83 VanDerWaalsContact C-N 3.27Å; K81-F83 HydrophobicContact CB-CD1 3.94Å; K81-F83 HydrophobicContact CB-CE1 3.94Å; K81-F83 HydrophobicContact CD-CD1 4.41Å; K81-F83 HydrophobicContact CD-CE1 3.57Å; K81-F83 HydrophobicContact CD-CZ 4.09Å; K81-F83 HydrophobicContact CG-CD1 4Å; K81-F83 HydrophobicContact CG-CE1 3.62Å; K81-F83 PolarHBondContact O-N 2.85Å
82N95.5Very high94.6Very high4 Ų446 Ų462%0.02126%0.255CS..THydrogen-bonded Turntrans57.137-178.5-150.376.5000113.1M78 Q79 Y103 Y104 D313 T317M78-N82 PolarHBondContact O-N 3.44Å; Q79-N82 WeakPolarHBondContact O-CA 3.39Å; Q79-N82 PolarHBondContact O-N 3.28Å; N82-Y103 HydrophobicContact CB-CE1 4.36Å; N82-Y103 WeakPolarHBondContact ND2-CD1 3.39Å; N82-Y103 WeakPolarHBondContact ND2-CE1 3.31Å; N82-Y104 PolarHBondContact O-OH 3.35Å; N82-D313 WeakPolarHBondContact OD1-CA 3.37Å; N82-D313 PolarHBondContact OD1-O 3.41Å; N82-T317 PolarHBondContact ND2-OG1 3.08Å; N82-T317 PolarHBondContact OD1-OG1 3.24Å
83F97.6Very high94.9Very high8 Ų843.3 Ų43.34%0.03524%0.237CC..PPolyproline II helixtrans-60.4154.9170.6-77.713.8000110.5W46 G60 A61 I62 L64 M78 K81 F85W46-F83 HydrophobicContact CZ2-CZ 4.37Å; G60-F83 WeakPolarHBondContact O-CE1 3.36Å; A61-F83 HydrophobicContact CB-CD1 4.02Å; A61-F83 HydrophobicContact CB-CE1 4.39Å; I62-F83 HydrophobicContact CB-CD2 4.02Å; I62-F83 HydrophobicContact CB-CE2 3.87Å; I62-F83 HydrophobicContact CB-CZ 4.27Å; I62-F83 HydrophobicContact CD1-CE2 3.89Å; I62-F83 HydrophobicContact CD1-CZ 4.05Å; I62-F83 HydrophobicContact CG1-CD2 4.44Å; I62-F83 HydrophobicContact CG1-CE1 4.47Å; I62-F83 HydrophobicContact CG1-CE2 3.8Å; I62-F83 HydrophobicContact CG1-CZ 3.8Å; I62-F83 WeakPolarHBondContact O-CB 3.42Å; L64-F83 HydrophobicContact CD1-CD2 3.6Å; L64-F83 HydrophobicContact CD1-CE2 4.22Å; L64-F83 HydrophobicContact CG-CD2 4.36Å; M78-F83 HydrophobicContact CB-CB 4.34Å; M78-F83 HydrophobicContact CB-CD2 3.74Å; M78-F83 HydrophobicContact CB-CE2 4.35Å; M78-F83 HydrophobicContact CB-CG 4.19Å; M78-F83 HydrophobicContact CG-CD2 3.67Å; M78-F83 HydrophobicContact CG-CE2 3.82Å; M78-F83 WeakPolarHBondContact O-CB 3.41Å; M78-F83 PolarHBondContact O-N 2.97Å; M78-F83 HydrophobicContact SD-CD2 4.05Å; M78-F83 HydrophobicContact SD-CE2 4.19Å; K81-F83 VanDerWaalsContact C-N 3.27Å; K81-F83 HydrophobicContact CB-CD1 3.94Å; K81-F83 HydrophobicContact CB-CE1 3.94Å; K81-F83 HydrophobicContact CD-CD1 4.41Å; K81-F83 HydrophobicContact CD-CE1 3.57Å; K81-F83 HydrophobicContact CD-CZ 4.09Å; K81-F83 HydrophobicContact CG-CD1 4Å; K81-F83 HydrophobicContact CG-CE1 3.62Å; K81-F83 PolarHBondContact O-N 2.85Å; F83-F85 HydrophobicContact CB-CE2 4.14Å; F83-F85 HydrophobicContact CB-CZ 4.21Å; F83-F85 VanDerWaalsContact O-CD2 3.29Å; F83-F85 WeakPolarHBondContact O-CD2 3.5Å; F83-F85 WeakPolarHBondContact O-CE2 3.42Å
84V97.6Very high95.3Very high1 Ų145.4 Ų45.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-95.9117.3-175.2-1760000108.9I62 I63 L64 L86 T96 L97 Y104I62-V84 PolarHBondContact O-N 3.06Å; I63-V84 CarbonylContact C-O 3.49Å; I63-V84 WeakPolarHBondContact CA-O 3.45Å; I63-V84 HydrophobicContact CB-CB 4.48Å; I63-V84 HydrophobicContact CG1-CB 4.03Å; I63-V84 HydrophobicContact CG1-CG1 4.48Å; I63-V84 HydrophobicContact CG1-CG2 4.45Å; I63-V84 HydrophobicContact CG2-CB 4.49Å; I63-V84 HydrophobicContact CG2-CG1 4.47Å; L64-V84 PolarHBondContact N-O 3.33Å; V84-L86 HydrophobicContact CG1-CD2 4.12Å; V84-T96 HydrophobicContact CG1-CG2 3.9Å; V84-L97 HydrophobicContact CG1-CD2 4.32Å; V84-Y104 HydrophobicContact CG2-CE2 4.2Å
85F97.3Very high95.5Very high9 Ų950.7 Ų50.74%0.03925%0.252CS..EExtended strand (participates in β ladder)trans-104120.8-175.7-67.3-80.7000111.5L64 L68 K69 M78 Q79 F83 D313L64-F85 HydrophobicContact CB-CD1 4.31Å; L64-F85 HydrophobicContact CB-CE1 4.46Å; L64-F85 HydrophobicContact CD1-CE1 4.46Å; L64-F85 WeakPolarHBondContact O-CA 3.5Å; L68-F85 HydrophobicContact CB-CE1 4.47Å; K69-F85 HydrophobicContact CB-CD1 3.92Å; K69-F85 HydrophobicContact CB-CE1 3.92Å; K69-F85 HydrophobicContact CB-CG 4.31Å; K69-F85 HydrophobicContact CB-CZ 4.32Å; K69-F85 HydrophobicContact CD-CD2 4.46Å; K69-F85 HydrophobicContact CD-CG 4.48Å; K69-F85 HydrophobicContact CG-CE2 4.5Å; K69-F85 HydrophobicContact CG-CZ 4.46Å; M78-F85 HydrophobicContact CB-CE1 4.43Å; M78-F85 HydrophobicContact CB-CZ 3.74Å; Q79-F85 HydrophobicContact CB-CE2 4.42Å; Q79-F85 HydrophobicContact CG-CE2 3.8Å; Q79-F85 HydrophobicContact CG-CZ 4Å; F83-F85 HydrophobicContact CB-CE2 4.14Å; F83-F85 HydrophobicContact CB-CZ 4.21Å; F83-F85 VanDerWaalsContact O-CD2 3.29Å; F83-F85 WeakPolarHBondContact O-CD2 3.5Å; F83-F85 WeakPolarHBondContact O-CE2 3.42Å; F85-D313 HydrophobicContact CE2-CB 4.49Å
86L96.9Very high95.6Very high15 Ų1552.1 Ų52.18%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-111.4134.8-178.4-58.5-172.9000112I63 L64 K65 S66 V84 R88 D93 T96 L97I63-L86 HydrophobicContact CG2-CD1 3.39Å; I63-L86 HydrophobicContact CG2-CG 3.68Å; L64-L86 PolarHBondContact O-N 3.25Å; K65-L86 CarbonylContact C-O 3.51Å; S66-L86 PolarHBondContact N-O 3.44Å; V84-L86 HydrophobicContact CG1-CD2 4.12Å; L86-R88 VanDerWaalsContact C-N 3.3Å; L86-D93 WeakPolarHBondContact CA-OD1 3.45Å; L86-D93 WeakPolarHBondContact CB-OD1 3.23Å; L86-D93 HydrophobicContact CD2-CB 4.04Å; L86-T96 HydrophobicContact CD2-CG2 4.16Å; L86-L97 HydrophobicContact CD2-CD2 4.09Å; L86-L97 HydrophobicContact CD2-CG 4.16Å
87D94.7Very high95.7Very high83 Ų8350.9 Ų50.944%0.44426%0.257SS..  trans-79.8-11.3179.1-63.5-45.7000113.4S66 S89 S92 D93S66-D87 WeakPolarHBondContact CB-OD1 3.48Å; S66-D87 WeakPolarHBondContact OG-CA 3.33Å; S66-D87 PolarHBondContact OG-OD1 3.44Å; D87-S89 VanDerWaalsContact C-N 3.31Å; D87-S92 WeakPolarHBondContact CB-OG 3.35Å; D87-S92 WeakPolarHBondContact OD2-CB 3.46Å; D87-S92 PolarHBondContact OD2-OG 3.39Å; D87-D93 PolarHBondContact N-OD1 3Å
88R92.9Very high95.8Very high126 Ų12649.4 Ų49.448%0.47524%0.244SC..SBendtrans68.331.9-169.5-46.4-60.6-166.8176.12.8112.3L86 D93 G119L86-R88 VanDerWaalsContact C-N 3.3Å; R88-D93 VanDerWaalsContact CA-OD2 3.25Å; R88-D93 WeakPolarHBondContact CA-OD2 3.5Å; R88-D93 PolarHBondContact N-OD2 3.23Å; R88-G119 PolarHBondContact NH2-O 3.22Å
89S94.9Very high95.6Very high56 Ų5650.7 Ų50.739%0.39225%0.25SS..  trans-133.5121.5174.7176.40000109.2D87 N91 S92 D93D87-S89 VanDerWaalsContact C-N 3.31Å; S89-N91 PolarHBondContact O-N 2.92Å; S89-S92 PolarHBondContact O-N 2.79Å; S89-S92 PolarHBondContact O-OG 2.87Å; S89-D93 PolarHBondContact N-OD2 3.35Å; S89-D93 VanDerWaalsContact O-CB 3.25Å; S89-D93 WeakPolarHBondContact O-CB 3.31Å; S89-D93 PolarHBondContact O-N 3.37Å
90W95.2Very high95.6Very high102 Ų10251.1 Ų51.139%0.38625%0.253SS..Hα-helixtrans-58.3-36.8-172.9179.7-123.3000113.5S92 K94 L97 T151 H155W90-S92 VanDerWaalsContact C-N 3.32Å; W90-S92 PolarHBondContact O-N 3.17Å; W90-K94 HydrophobicContact CD2-CB 4.21Å; W90-K94 HydrophobicContact CE3-CB 4.21Å; W90-K94 HydrophobicContact CH2-CB 3.95Å; W90-K94 HydrophobicContact CH2-CD 4.4Å; W90-K94 HydrophobicContact CH2-CG 3.91Å; W90-K94 HydrophobicContact CZ2-CB 3.98Å; W90-K94 HydrophobicContact CZ2-CD 3.83Å; W90-K94 HydrophobicContact CZ2-CG 3.84Å; W90-K94 HydrophobicContact CZ3-CB 4.07Å; W90-K94 VanDerWaalsContact O-CB 3.23Å; W90-K94 WeakPolarHBondContact O-CB 3.23Å; W90-K94 PolarHBondContact O-N 2.97Å; W90-L97 HydrophobicContact CZ3-CD1 4.37Å; W90-T151 HydrophobicContact CD2-CG2 3.85Å; W90-T151 HydrophobicContact CE3-CG2 3.75Å; W90-T151 HydrophobicContact CH2-CG2 4.04Å; W90-T151 HydrophobicContact CZ2-CG2 4.12Å; W90-T151 HydrophobicContact CZ3-CG2 3.86Å; W90-H155 HydrophobicContact CH2-CB 3.53Å; W90-H155 AromaticContact CH2-CD2 3.97Å; W90-H155 AromaticContact CH2-CG 3.48Å; W90-H155 VanDerWaalsContact CH2-CG 3.48Å; W90-H155 AromaticContact CH2-ND1 3.82Å; W90-H155 HydrophobicContact CZ3-CB 4.14Å
91N94.8Very high95.5Very high133 Ų13348.2 Ų48.271%0.71123%0.234SC*.Hα-helixtrans-63.5-35.2-177.9-70.8-16.4000113.2S89S89-N91 PolarHBondContact O-N 2.92Å
92S94.7Very high95.5Very high33 Ų3345.2 Ų45.223%0.23122%0.221CC..Hα-helixtrans-88.7-45.7174.559.70000111.3D87 S89 W90 K94 K95 T96D87-S92 WeakPolarHBondContact CB-OG 3.35Å; D87-S92 WeakPolarHBondContact OD2-CB 3.46Å; D87-S92 PolarHBondContact OD2-OG 3.39Å; S89-S92 PolarHBondContact O-N 2.79Å; S89-S92 PolarHBondContact O-OG 2.87Å; W90-S92 VanDerWaalsContact C-N 3.32Å; W90-S92 PolarHBondContact O-N 3.17Å; S92-K94 VanDerWaalsContact C-N 3.3Å; S92-K94 PolarHBondContact O-N 3.33Å; S92-K95 WeakPolarHBondContact O-CB 3.23Å; S92-K95 PolarHBondContact O-N 2.97Å; S92-K95 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-N 3.4Å
93D97.4Very high95.4Very high15 Ų1546.1 Ų46.18%0.0822%0.224CC..Hα-helixtrans-59.6-38.5-175.7-70.9-15.4000112.3L86 D87 R88 S89 K95 T96 L97L86-D93 WeakPolarHBondContact CA-OD1 3.45Å; L86-D93 WeakPolarHBondContact CB-OD1 3.23Å; L86-D93 HydrophobicContact CD2-CB 4.04Å; D87-D93 PolarHBondContact N-OD1 3Å; R88-D93 VanDerWaalsContact CA-OD2 3.25Å; R88-D93 WeakPolarHBondContact CA-OD2 3.5Å; R88-D93 PolarHBondContact N-OD2 3.23Å; S89-D93 PolarHBondContact N-OD2 3.35Å; S89-D93 VanDerWaalsContact O-CB 3.25Å; S89-D93 WeakPolarHBondContact O-CB 3.31Å; S89-D93 PolarHBondContact O-N 3.37Å; D93-K95 VanDerWaalsContact C-N 3.31Å; D93-K95 PolarHBondContact O-N 3Å; D93-T96 PolarHBondContact O-N 2.81Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 VanDerWaalsContact O-CG 3.24Å; D93-L97 WeakPolarHBondContact O-CG 3.5Å; D93-L97 PolarHBondContact O-N 2.92Å
94K97.5Very high95.2Very high78 Ų7846.2 Ų46.234%0.33923%0.225SC..Hα-helixtrans-56.1-46176.5-174.2-173.8177.8-64.50111.7W90 S92 L97 D98W90-K94 HydrophobicContact CD2-CB 4.21Å; W90-K94 HydrophobicContact CE3-CB 4.21Å; W90-K94 HydrophobicContact CH2-CB 3.95Å; W90-K94 HydrophobicContact CH2-CD 4.4Å; W90-K94 HydrophobicContact CH2-CG 3.91Å; W90-K94 HydrophobicContact CZ2-CB 3.98Å; W90-K94 HydrophobicContact CZ2-CD 3.83Å; W90-K94 HydrophobicContact CZ2-CG 3.84Å; W90-K94 HydrophobicContact CZ3-CB 4.07Å; W90-K94 VanDerWaalsContact O-CB 3.23Å; W90-K94 WeakPolarHBondContact O-CB 3.23Å; W90-K94 PolarHBondContact O-N 2.97Å; S92-K94 VanDerWaalsContact C-N 3.3Å; S92-K94 PolarHBondContact O-N 3.33Å; K94-L97 PolarHBondContact O-N 3.29Å; K94-D98 IonicContact NZ-OD1 3.81Å; K94-D98 IonicContact NZ-OD2 2.81Å; K94-D98 PolarHBondContact NZ-OD2 3.5Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 3.42Å
95K95.2Very high94.9Very high147 Ų14746.9 Ų46.964%0.63923%0.23SC*.Hα-helixtrans-65.3-42.6180-62.8179-178.21790111S92 D93 L97 D98 M99S92-K95 WeakPolarHBondContact O-CB 3.23Å; S92-K95 PolarHBondContact O-N 2.97Å; S92-K95 VanDerWaalsContact O-N 3.08Å; D93-K95 VanDerWaalsContact C-N 3.31Å; D93-K95 PolarHBondContact O-N 3Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.48Å; K95-D98 PolarHBondContact O-N 3.13Å; K95-M99 WeakPolarHBondContact O-CG 3.31Å; K95-M99 PolarHBondContact O-N 3.18Å
96T96.1Very high94.5Very high30 Ų3046.9 Ų46.918%0.18423%0.231CC..Hα-helixtrans-61.7-43.6177-59.60000111.5V84 L86 S92 D93 S100V84-T96 HydrophobicContact CG1-CG2 3.9Å; L86-T96 HydrophobicContact CD2-CG2 4.16Å; S92-T96 PolarHBondContact O-N 3.4Å; D93-T96 PolarHBondContact O-N 2.81Å; T96-S100 VanDerWaalsContact O-CB 3.24Å; T96-S100 WeakPolarHBondContact O-CB 3.3Å; T96-S100 PolarHBondContact O-N 3.48Å; T96-S100 PolarHBondContact O-OG 2.92Å
97L97.1Very high94.2Very high2 Ų247.1 Ų47.11%0.0123%0.232CC..Hα-helixtrans-66.1-42.1176.7-65.5171000111.6I63 V84 L86 W90 D93 K94 K95 M99 S100 S101 L156I63-L97 HydrophobicContact CD1-CD2 4.23Å; V84-L97 HydrophobicContact CG1-CD2 4.32Å; L86-L97 HydrophobicContact CD2-CD2 4.09Å; L86-L97 HydrophobicContact CD2-CG 4.16Å; W90-L97 HydrophobicContact CZ3-CD1 4.37Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 VanDerWaalsContact O-CG 3.24Å; D93-L97 WeakPolarHBondContact O-CG 3.5Å; D93-L97 PolarHBondContact O-N 2.92Å; K94-L97 PolarHBondContact O-N 3.29Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.48Å; L97-M99 PolarHBondContact O-N 3.24Å; L97-S100 PolarHBondContact O-N 3.3Å; L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 3.48Å; L97-S101 PolarHBondContact O-OG 3.02Å; L97-S101 VanDerWaalsContact O-OG 3.06Å; L97-L156 HydrophobicContact CD2-CB 4.32Å; L97-L156 HydrophobicContact CD2-CD1 3.96Å
98D94.7Very high93.8Very high31 Ų3145.1 Ų45.117%0.16623%0.232CC..Hα-helixtrans-57.6-49.5175.9-72.1-22.9000111.3K94 K95 A102 H155 E159K94-D98 IonicContact NZ-OD1 3.81Å; K94-D98 IonicContact NZ-OD2 2.81Å; K94-D98 PolarHBondContact NZ-OD2 3.5Å; K94-D98 WeakPolarHBondContact O-CB 3.3Å; K94-D98 PolarHBondContact O-N 3.42Å; K95-D98 PolarHBondContact O-N 3.13Å; D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 3.19Å; D98-A102 VanDerWaalsContact O-N 3.08Å; D98-H155 IonicContact OD1-CD2 2.97Å; D98-H155 IonicContact OD1-CE1 2.75Å; D98-H155 PolarHBondContact OD1-CE1 2.98Å; D98-H155 VanDerWaalsContact OD1-CE1 3.27Å; D98-H155 IonicContact OD1-NE2 3.77Å; D98-H155 PolarHBondContact OD1-NE2 3.36Å; D98-E159 WeakPolarHBondContact OD1-CG 3.33Å
99M93Very high93.8Very high64 Ų6443.9 Ų43.932%0.31523%0.233SC..Hα-helixtrans-65.7-43.2178.2-70.1-171.2-61.500112.2K95 L97 A102 Y103 T317K95-M99 WeakPolarHBondContact O-CG 3.31Å; K95-M99 PolarHBondContact O-N 3.18Å; L97-M99 PolarHBondContact O-N 3.24Å; M99-A102 PolarHBondContact O-N 3.3Å; M99-Y103 WeakPolarHBondContact O-CB 3.44Å; M99-Y103 PolarHBondContact O-N 3.22Å; M99-T317 HydrophobicContact CB-CG2 4.02Å
100S94.9Very high93.8Very high10 Ų1043.3 Ų43.37%0.0723%0.228CC..Hα-helixtrans-65.6-46.8-178.6-60.20000111.4T96 L97 A102 Y103 Y104T96-S100 VanDerWaalsContact O-CB 3.24Å; T96-S100 WeakPolarHBondContact O-CB 3.3Å; T96-S100 PolarHBondContact O-N 3.48Å; T96-S100 PolarHBondContact O-OG 2.92Å; L97-S100 PolarHBondContact O-N 3.3Å; S100-A102 VanDerWaalsContact C-N 3.33Å; S100-A102 PolarHBondContact O-N 2.81Å; S100-Y103 PolarHBondContact O-N 2.67Å; S100-Y104 WeakPolarHBondContact O-CD2 3.28Å; S100-Y104 PolarHBondContact O-N 3.46Å
101S94.1Very high93.8Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-59.8-44.7175.6-64.70000111L97 Y103 Y104 S105L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 3.48Å; L97-S101 PolarHBondContact O-OG 3.02Å; L97-S101 VanDerWaalsContact O-OG 3.06Å; S101-Y103 PolarHBondContact O-N 2.71Å; S101-Y104 PolarHBondContact O-N 3.06Å; S101-S105 WeakPolarHBondContact O-CB 3.42Å; S101-S105 PolarHBondContact O-N 3.36Å; S101-S105 PolarHBondContact O-OG 3.08Å
102A92.5Very high93.9Very high3 Ų332.3 Ų32.33%0.02518%0.177CC..Hα-helixtrans-62.8-42.3176.900000112.6D98 M99 S100 A106 L321 F327D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 3.19Å; D98-A102 VanDerWaalsContact O-N 3.08Å; M99-A102 PolarHBondContact O-N 3.3Å; S100-A102 VanDerWaalsContact C-N 3.33Å; S100-A102 PolarHBondContact O-N 2.81Å; A102-A106 WeakPolarHBondContact O-CB 3.1Å; A102-A106 PolarHBondContact O-N 3.21Å; A102-L321 HydrophobicContact CB-CD1 4.47Å; A102-L321 HydrophobicContact CB-CD2 4.18Å; A102-F327 HydrophobicContact CB-CE2 3.49Å; A102-F327 VanDerWaalsContact CB-CE2 3.49Å; A102-F327 HydrophobicContact CB-CZ 3.65Å
103Y93.5Very high94Very high22 Ų2230.8 Ų30.89%0.08617%0.166CC..Hα-helixtrans-58.7-54.6175.1171.3-96.4000111.3N82 M99 S100 S101 S105 A106 I107 Q316 T317 W320N82-Y103 HydrophobicContact CB-CE1 4.36Å; N82-Y103 WeakPolarHBondContact ND2-CD1 3.39Å; N82-Y103 WeakPolarHBondContact ND2-CE1 3.31Å; M99-Y103 WeakPolarHBondContact O-CB 3.44Å; M99-Y103 PolarHBondContact O-N 3.22Å; S100-Y103 PolarHBondContact O-N 2.67Å; S101-Y103 PolarHBondContact O-N 2.71Å; Y103-S105 VanDerWaalsContact C-N 3.34Å; Y103-S105 PolarHBondContact O-N 2.81Å; Y103-A106 CarbonylContact O-C 3.59Å; Y103-A106 WeakPolarHBondContact O-CA 3.32Å; Y103-A106 PolarHBondContact O-N 2.99Å; Y103-I107 HydrophobicContact CD1-CG2 4.03Å; Y103-I107 HydrophobicContact CD2-CG2 3.97Å; Y103-I107 HydrophobicContact CE1-CD1 4.44Å; Y103-I107 HydrophobicContact CE1-CG2 3.62Å; Y103-I107 HydrophobicContact CE2-CG2 3.55Å; Y103-I107 HydrophobicContact CG-CG2 4.2Å; Y103-I107 WeakPolarHBondContact O-CG2 3.35Å; Y103-I107 PolarHBondContact O-N 3.18Å; Y103-Q316 HydrophobicContact CE2-CG 4.49Å; Y103-Q316 PolarHBondContact OH-NE2 2.87Å; Y103-T317 HydrophobicContact CG-CG2 4.44Å; Y103-W320 HydrophobicContact CD2-CB 3.9Å; Y103-W320 AromaticContact CD2-CD1 3.71Å; Y103-W320 AromaticContact CD2-CG 3.92Å; Y103-W320 HydrophobicContact CD2-CG 3.92Å; Y103-W320 HydrophobicContact CE2-CB 3.78Å; Y103-W320 AromaticContact CE2-CD1 3.91Å; Y103-W320 HydrophobicContact CE2-CD2 4.45Å; Y103-W320 AromaticContact CE2-CG 3.76Å; Y103-W320 HydrophobicContact CE2-CG 3.76Å
104Y93.9Very high94.1Very high10 Ų1030.2 Ų30.24%0.03916%0.163CC..Hα-helixtrans-64.2-36.4-177.8-78.1-63.4000113A61 N82 V84 S100 S101 A106 I107 F111 V113 F160A61-Y104 HydrophobicContact CB-CE1 4.4Å; A61-Y104 HydrophobicContact CB-CE2 4.46Å; A61-Y104 WeakPolarHBondContact CB-OH 3.32Å; N82-Y104 PolarHBondContact O-OH 3.35Å; V84-Y104 HydrophobicContact CG2-CE2 4.2Å; S100-Y104 WeakPolarHBondContact O-CD2 3.28Å; S100-Y104 PolarHBondContact O-N 3.46Å; S101-Y104 PolarHBondContact O-N 3.06Å; Y104-A106 VanDerWaalsContact C-N 3.26Å; Y104-A106 PolarHBondContact O-N 3.22Å; Y104-I107 HydrophobicContact CD1-CD1 3.76Å; Y104-I107 HydrophobicContact CE1-CD1 4.31Å; Y104-I107 WeakPolarHBondContact O-CG1 3.49Å; Y104-F111 HydrophobicContact CD1-CB 3.76Å; Y104-F111 HydrophobicContact CD1-CD1 4.02Å; Y104-F111 HydrophobicContact CD1-CD2 4.12Å; Y104-F111 AromaticContact CD1-CG 3.7Å; Y104-F111 HydrophobicContact CD1-CG 3.7Å; Y104-F111 HydrophobicContact CE1-CB 4.16Å; Y104-F111 HydrophobicContact CG-CD1 4.4Å; Y104-F111 HydrophobicContact CG-CD2 4.29Å; Y104-F111 HydrophobicContact CG-CG 4.22Å; Y104-F111 WeakPolarHBondContact O-CD1 3.47Å; Y104-F111 WeakPolarHBondContact O-CE1 3.3Å; Y104-V113 HydrophobicContact CD1-CG2 4.49Å; Y104-V113 HydrophobicContact CD2-CG2 3.8Å; Y104-V113 HydrophobicContact CE2-CG2 3.84Å; Y104-V113 HydrophobicContact CG-CG2 4.17Å; Y104-F160 HydrophobicContact CD2-CZ 4.44Å
105S91.4Very high94.1Very high16 Ų1627 Ų2711%0.11215%0.15CC..Hα-helixtrans-65.1-32171.2-56.70000112.1S101 Y103 R163 S169S101-S105 WeakPolarHBondContact O-CB 3.42Å; S101-S105 PolarHBondContact O-N 3.36Å; S101-S105 PolarHBondContact O-OG 3.08Å; Y103-S105 VanDerWaalsContact C-N 3.34Å; Y103-S105 PolarHBondContact O-N 2.81Å; S105-R163 VanDerWaalsContact OG-CD 3.27Å; S105-R163 WeakPolarHBondContact OG-CD 3.41Å; S105-S169 PolarHBondContact OG-OG 3.27Å
106A89.8Confident94.3Very high9 Ų921.1 Ų21.17%0.07413%0.125CC..Hα-helixtrans-88-24.3-174.800000115.1A102 Y103 Y104 G108 L321 R324 I326A102-A106 WeakPolarHBondContact O-CB 3.1Å; A102-A106 PolarHBondContact O-N 3.21Å; Y103-A106 CarbonylContact O-C 3.59Å; Y103-A106 WeakPolarHBondContact O-CA 3.32Å; Y103-A106 PolarHBondContact O-N 2.99Å; Y104-A106 VanDerWaalsContact C-N 3.26Å; Y104-A106 PolarHBondContact O-N 3.22Å; A106-G108 PolarHBondContact O-N 2.81Å; A106-G108 VanDerWaalsContact O-N 3.16Å; A106-L321 HydrophobicContact CB-CD2 4.27Å; A106-R324 PolarHBondContact O-NE 3.12Å; A106-R324 PolarHBondContact O-NH1 3.09Å; A106-I326 HydrophobicContact CB-CD1 3.48Å; A106-I326 VanDerWaalsContact CB-CD1 3.48Å
107I90.2Very high94.4Very high19 Ų1919.9 Ų19.910%0.09712%0.117CC..SBendtrans-63.5-21.1-176.459177.1000113.7Y103 Y104 I109 F111 W320Y103-I107 HydrophobicContact CD1-CG2 4.03Å; Y103-I107 HydrophobicContact CD2-CG2 3.97Å; Y103-I107 HydrophobicContact CE1-CD1 4.44Å; Y103-I107 HydrophobicContact CE1-CG2 3.62Å; Y103-I107 HydrophobicContact CE2-CG2 3.55Å; Y103-I107 HydrophobicContact CG-CG2 4.2Å; Y103-I107 WeakPolarHBondContact O-CG2 3.35Å; Y103-I107 PolarHBondContact O-N 3.18Å; Y104-I107 HydrophobicContact CD1-CD1 3.76Å; Y104-I107 HydrophobicContact CE1-CD1 4.31Å; Y104-I107 WeakPolarHBondContact O-CG1 3.49Å; I107-I109 HydrophobicContact CB-CG1 4.22Å; I107-I109 HydrophobicContact CD1-CD1 4.25Å; I107-I109 HydrophobicContact CD1-CG1 3.64Å; I107-I109 HydrophobicContact CG1-CG1 3.85Å; I107-I109 PolarHBondContact O-N 2.82Å; I107-F111 HydrophobicContact CD1-CB 4.45Å; I107-F111 HydrophobicContact CD1-CD1 4.36Å; I107-W320 HydrophobicContact CB-CZ2 4.36Å; I107-W320 HydrophobicContact CG2-CD2 4.5Å; I107-W320 HydrophobicContact CG2-CZ2 4.34Å
108G87Confident94.4Very high42 Ų4220 Ų2043%0.43312%0.117SC..  trans73.32174.400000115.4A106A106-G108 PolarHBondContact O-N 2.81Å; A106-G108 VanDerWaalsContact O-N 3.16Å
109I91.5Very high94.2Very high99 Ų9919.1 Ų19.151%0.50812%0.116SC..SBendtrans-112.6160176.461.8172.9000111.1I107I107-I109 HydrophobicContact CB-CG1 4.22Å; I107-I109 HydrophobicContact CD1-CD1 4.25Å; I107-I109 HydrophobicContact CD1-CG1 3.64Å; I107-I109 HydrophobicContact CG1-CG1 3.85Å; I107-I109 PolarHBondContact O-N 2.82Å
110P94.7Very high94.2Very high44 Ų4418.7 Ų18.729%0.28612%0.117SC..  trans-58.4146.1173.8-24.735.2000112.4S26 T27 T59S26-P110 VanDerWaalsContact O-CB 3.31Å; S26-P110 WeakPolarHBondContact O-CB 3.5Å; T27-P110 WeakPolarHBondContact O-CG 3.34Å; T59-P110 WeakPolarHBondContact CB-O 3.29Å; T59-P110 WeakPolarHBondContact CG2-O 3.48Å
111F95.6Very high94.1Very high2 Ų219.2 Ų19.21%0.00912%0.119CC..  trans-148.3156.8177.663.8-101.4000110.8D28 K29 A30 T59 Y104 I107 V113 F160 S169 L170D28-F111 VanDerWaalsContact O-O 3.13Å; K29-F111 WeakPolarHBondContact CA-O 3.32Å; K29-F111 HydrophobicContact CB-CD1 4.08Å; K29-F111 HydrophobicContact CB-CE1 3.64Å; K29-F111 HydrophobicContact CB-CE2 4.36Å; K29-F111 HydrophobicContact CB-CZ 3.81Å; K29-F111 HydrophobicContact CD-CD1 4.42Å; K29-F111 HydrophobicContact CD-CE1 3.92Å; K29-F111 HydrophobicContact CG-CD1 3.87Å; K29-F111 HydrophobicContact CG-CE1 3.7Å; K29-F111 HydrophobicContact CG-CZ 4.38Å; A30-F111 PolarHBondContact N-O 2.76Å; T59-F111 WeakPolarHBondContact O-CA 3.29Å; Y104-F111 HydrophobicContact CD1-CB 3.76Å; Y104-F111 HydrophobicContact CD1-CD1 4.02Å; Y104-F111 HydrophobicContact CD1-CD2 4.12Å; Y104-F111 AromaticContact CD1-CG 3.7Å; Y104-F111 HydrophobicContact CD1-CG 3.7Å; Y104-F111 HydrophobicContact CE1-CB 4.16Å; Y104-F111 HydrophobicContact CG-CD1 4.4Å; Y104-F111 HydrophobicContact CG-CD2 4.29Å; Y104-F111 HydrophobicContact CG-CG 4.22Å; Y104-F111 WeakPolarHBondContact O-CD1 3.47Å; Y104-F111 WeakPolarHBondContact O-CE1 3.3Å; I107-F111 HydrophobicContact CD1-CB 4.45Å; I107-F111 HydrophobicContact CD1-CD1 4.36Å; F111-V113 HydrophobicContact CD2-CG2 3.85Å; F111-V113 HydrophobicContact CE2-CG2 4.15Å; F111-F160 AromaticContact CE2-CE1 3.88Å; F111-F160 HydrophobicContact CE2-CE1 3.88Å; F111-F160 AromaticContact CE2-CZ 3.9Å; F111-F160 HydrophobicContact CE2-CZ 3.9Å; F111-F160 HydrophobicContact CZ-CD1 4.19Å; F111-F160 AromaticContact CZ-CE1 3.55Å; F111-F160 HydrophobicContact CZ-CE1 3.55Å; F111-F160 HydrophobicContact CZ-CZ 4.07Å; F111-S169 WeakPolarHBondContact CZ-O 3.42Å; F111-L170 HydrophobicContact CE2-CD1 4.38Å; F111-L170 HydrophobicContact CZ-CD1 4.46Å
112Q97.1Very high94.1Very high2 Ų220.3 Ų20.31%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-130.9108.6171.2-63.878.945.900110D28 A30 L32 L56 T59 G60 A61D28-Q112 PolarHBondContact O-NE2 2.96Å; A30-Q112 CarbonylContact O-C 3.59Å; A30-Q112 VanDerWaalsContact O-CA 3.32Å; A30-Q112 WeakPolarHBondContact O-CA 3.44Å; L32-Q112 HydrophobicContact CD1-CB 3.87Å; L32-Q112 HydrophobicContact CD1-CG 4.5Å; L32-Q112 HydrophobicContact CD2-CB 4.29Å; L32-Q112 HydrophobicContact CD2-CG 4.37Å; L32-Q112 HydrophobicContact CG-CB 4.08Å; L56-Q112 HydrophobicContact CD2-CG 4.12Å; T59-Q112 PolarHBondContact O-N 3.35Å; T59-Q112 VanDerWaalsContact O-N 3.11Å; T59-Q112 PolarHBondContact OG1-OE1 2.99Å; G60-Q112 CarbonylContact C-O 3.54Å; G60-Q112 WeakPolarHBondContact CA-O 3.24Å; A61-Q112 PolarHBondContact N-O 3.5Å; A61-Q112 VanDerWaalsContact O-O 3.11Å
113V97.8Very high94.1Very high1 Ų122.4 Ų22.41%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-94.5105.1177.6-179.80000109.1A30 V31 L32 I63 Y104 F111 L156 F160A30-V113 PolarHBondContact O-N 3.48Å; V31-V113 WeakPolarHBondContact CA-O 3.05Å; L32-V113 PolarHBondContact N-O 2.89Å; I63-V113 HydrophobicContact CD1-CG1 3.99Å; I63-V113 HydrophobicContact CG1-CG1 3.84Å; Y104-V113 HydrophobicContact CD1-CG2 4.49Å; Y104-V113 HydrophobicContact CD2-CG2 3.8Å; Y104-V113 HydrophobicContact CE2-CG2 3.84Å; Y104-V113 HydrophobicContact CG-CG2 4.17Å; F111-V113 HydrophobicContact CD2-CG2 3.85Å; F111-V113 HydrophobicContact CE2-CG2 4.15Å; V113-L156 HydrophobicContact CG1-CD2 4.47Å; V113-F160 HydrophobicContact CG2-CZ 4.3Å
114L98.5Very high94.1Very high4 Ų425.6 Ų25.62%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-81.7123.4176.9177.664.2000110.9L32 M34 F45 A61 I62 I63 F116L32-L114 HydrophobicContact CB-CB 4.41Å; L32-L114 HydrophobicContact CB-CD1 3.8Å; L32-L114 HydrophobicContact CD1-CB 4.43Å; L32-L114 HydrophobicContact CD1-CD1 4.49Å; M34-L114 HydrophobicContact CB-CD1 3.69Å; M34-L114 HydrophobicContact CE-CD1 4.18Å; M34-L114 HydrophobicContact CE-CD2 4.11Å; M34-L114 HydrophobicContact SD-CD1 4.47Å; F45-L114 HydrophobicContact CD1-CD2 3.99Å; F45-L114 HydrophobicContact CE1-CD1 4.42Å; F45-L114 HydrophobicContact CE1-CD2 4.31Å; A61-L114 PolarHBondContact O-N 2.83Å; I62-L114 HydrophobicContact CD1-CD2 4.34Å; I62-L114 HydrophobicContact CG1-CB 4.32Å; I62-L114 HydrophobicContact CG1-CD2 4.2Å; I62-L114 HydrophobicContact CG2-CB 4.46Å; I62-L114 HydrophobicContact CG2-CD2 4.24Å; I62-L114 HydrophobicContact CG2-CG 4.43Å; I63-L114 PolarHBondContact N-O 3.48Å; L114-F116 HydrophobicContact CD2-CE2 3.78Å; L114-F116 HydrophobicContact CD2-CZ 3.84Å; L114-F116 HydrophobicContact CG-CE2 3.98Å; L114-F116 HydrophobicContact CG-CZ 4.27Å
115V98.3Very high94.2Very high10 Ų1030.3 Ų30.36%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-121.8143.9173.561.40000110V31 L32 L33 M34 I63 P117 T153V31-V115 HydrophobicContact CG1-CG1 4.02Å; L32-V115 WeakPolarHBondContact O-CG1 3.12Å; L32-V115 PolarHBondContact O-N 2.71Å; L33-V115 HydrophobicContact CD2-CG1 3.36Å; M34-V115 PolarHBondContact N-O 3.17Å; M34-V115 VanDerWaalsContact N-O 3.1Å; I63-V115 HydrophobicContact CD1-CB 4Å; I63-V115 HydrophobicContact CD1-CG2 4.08Å; I63-V115 HydrophobicContact CG1-CB 4.28Å; V115-P117 HydrophobicContact CG1-CG 4.4Å; V115-P117 HydrophobicContact CG2-CG 4.45Å; V115-P117 WeakPolarHBondContact O-CD 3.26Å; V115-T153 HydrophobicContact CG1-CG2 4.43Å
116F98Very high94.5Very high24 Ų2430.6 Ų30.611%0.10519%0.191CC..  trans-111.589.8172.2-66-83.3000109.1M34 N35 H36 D41 I62 L114 E118 G119M34-F116 HydrophobicContact CB-CD1 4.23Å; M34-F116 HydrophobicContact CB-CE1 4.07Å; M34-F116 HydrophobicContact CE-CD1 4.43Å; M34-F116 HydrophobicContact CE-CE1 3.26Å; M34-F116 HydrophobicContact CE-CZ 3.35Å; M34-F116 HydrophobicContact CG-CE1 4.24Å; M34-F116 WeakPolarHBondContact O-CA 3.4Å; M34-F116 WeakPolarHBondContact O-CD1 3.24Å; N35-F116 WeakPolarHBondContact O-CD1 3.44Å; H36-F116 HydrophobicContact CB-CB 4.11Å; H36-F116 HydrophobicContact CB-CD1 3.6Å; H36-F116 HydrophobicContact CB-CE1 4.31Å; H36-F116 HydrophobicContact CB-CG 4.16Å; H36-F116 AromaticContact CG-CD1 3.71Å; H36-F116 AromaticContact ND1-CD1 3.8Å; H36-F116 AromaticContact ND1-CE1 3.75Å; D41-F116 HydrophobicContact CB-CE1 4.1Å; D41-F116 HydrophobicContact CB-CZ 4.18Å; I62-F116 HydrophobicContact CG2-CE2 4.16Å; L114-F116 HydrophobicContact CD2-CE2 3.78Å; L114-F116 HydrophobicContact CD2-CZ 3.84Å; L114-F116 HydrophobicContact CG-CE2 3.98Å; L114-F116 HydrophobicContact CG-CZ 4.27Å; F116-E118 PolarHBondContact O-N 3.36Å; F116-E118 VanDerWaalsContact O-N 3.13Å; F116-G119 PolarHBondContact O-N 3.03Å
117P97.8Very high94.8Very high3 Ų331.6 Ų31.62%0.01919%0.193CC..THydrogen-bonded Turntrans-57.9-26.2-174.9-31.140.4000114.7L33 V115 G119 P148 R149 T153 L227 W231L33-P117 HydrophobicContact CD2-CG 4.3Å; V115-P117 HydrophobicContact CG1-CG 4.4Å; V115-P117 HydrophobicContact CG2-CG 4.45Å; V115-P117 WeakPolarHBondContact O-CD 3.26Å; P117-G119 PolarHBondContact O-N 3.06Å; P117-P148 HydrophobicContact CB-CB 3.75Å; P117-R149 WeakPolarHBondContact O-CB 3.27Å; P117-R149 PolarHBondContact O-N 2.9Å; P117-T153 HydrophobicContact CB-CG2 4.48Å; P117-T153 HydrophobicContact CG-CG2 3.91Å; P117-L227 HydrophobicContact CB-CD2 4.49Å; P117-W231 HydrophobicContact CB-CH2 3.72Å; P117-W231 HydrophobicContact CB-CZ2 3.78Å; P117-W231 HydrophobicContact CB-CZ3 4.31Å; P117-W231 VanDerWaalsContact CD-CH2 3.41Å; P117-W231 HydrophobicContact CG-CH2 3.29Å; P117-W231 HydrophobicContact CG-CZ2 3.83Å; P117-W231 HydrophobicContact CG-CZ3 3.92Å
118E97.3Very high95.2Very high4 Ų436.5 Ų36.52%0.01922%0.216CC..THydrogen-bonded Turntrans-60.6-29.5174.4-66.1178.9-123.800112.8N35 H36 F116 T120 L146 W231N35-E118 WeakPolarHBondContact CA-OE1 3.48Å; N35-E118 WeakPolarHBondContact CB-OE1 3.06Å; H36-E118 HydrophobicContact CB-CB 4.44Å; H36-E118 PolarHBondContact N-OE1 2.78Å; F116-E118 PolarHBondContact O-N 3.36Å; F116-E118 VanDerWaalsContact O-N 3.13Å; E118-T120 PolarHBondContact O-N 3.19Å; E118-T120 VanDerWaalsContact O-N 3.12Å; E118-L146 HydrophobicContact CB-CB 4.15Å; E118-L146 HydrophobicContact CB-CD1 4.45Å; E118-L146 HydrophobicContact CG-CB 3.95Å; E118-L146 WeakPolarHBondContact OE2-CB 3.25Å; E118-L146 VanDerWaalsContact OE2-CG 3.3Å; E118-L146 WeakPolarHBondContact OE2-CG 3.24Å; E118-L146 PolarHBondContact OE2-N 3.03Å; E118-L146 VanDerWaalsContact OE2-N 3.16Å; E118-W231 HydrophobicContact CG-CZ2 4.35Å
119G91.7Very high95.7Very high13 Ų1342 Ų4213%0.13422%0.224CC..  trans73.5-6.3175.400000115.7R88 F116 P117R88-G119 PolarHBondContact NH2-O 3.22Å; F116-G119 PolarHBondContact O-N 3.03Å; P117-G119 PolarHBondContact O-N 3.06Å
120T93.3Very high96Very high56 Ų5637.9 Ų37.934%0.34420%0.204SC..SBendtrans-154161.3175.9-170.70000109.9E118 T126 L146E118-T120 PolarHBondContact O-N 3.19Å; E118-T120 VanDerWaalsContact O-N 3.12Å; T120-T126 HydrophobicContact CG2-CG2 3.77Å; T120-L146 HydrophobicContact CG2-CD1 3.57Å
121N92.3Very high96.2Very high21 Ų2138 Ų3811%0.11220%0.202CC..  trans-63.2148.4173.6-6627.4000111.9H36 T38 R39 T123 T126 E186H36-N121 PolarHBondContact NE2-OD1 3.41Å; H36-N121 VanDerWaalsContact NE2-OD1 3.09Å; T38-N121 VanDerWaalsContact C-ND2 3.28Å; T38-N121 WeakPolarHBondContact CA-ND2 3.25Å; R39-N121 WeakPolarHBondContact CG-ND2 3.47Å; R39-N121 PolarHBondContact N-ND2 3.35Å; N121-T123 HydrophobicContact CB-CG2 4.49Å; N121-T123 PolarHBondContact O-N 3.37Å; N121-T126 WeakPolarHBondContact O-CB 2.97Å; N121-T126 PolarHBondContact O-OG1 3.18Å; N121-E186 PolarHBondContact ND2-OE2 2.92Å
122F93.5Very high96.3Very high23 Ų2343.1 Ų43.110%0.10123%0.228CC..  trans-71.1117.9167.1-169.8-79.2000111.5H36 R37 K127 Y144 L146H36-F122 PolarHBondContact O-N 3.14Å; R37-F122 PolarHBondContact NH1-O 3.38Å; F122-K127 HydrophobicContact CE2-CB 4.34Å; F122-K127 HydrophobicContact CE2-CD 3.74Å; F122-K127 HydrophobicContact CE2-CG 4.31Å; F122-K127 HydrophobicContact CZ-CB 4.15Å; F122-K127 HydrophobicContact CZ-CD 3.89Å; F122-K127 HydrophobicContact CZ-CG 4.04Å; F122-Y144 WeakPolarHBondContact CD2-O 3.39Å; F122-Y144 WeakPolarHBondContact CE2-O 3.25Å; F122-L146 HydrophobicContact CD2-CD2 3.65Å; F122-L146 HydrophobicContact CD2-CG 3.89Å; F122-L146 HydrophobicContact CE2-CD2 4.03Å; F122-L146 HydrophobicContact CG-CD2 4.42Å
123T93Very high96.3Very high47 Ų4747.8 Ų47.829%0.28825%0.248SC..  trans-141.5167174.564.10000107.8N121 E125 T126 K127N121-T123 HydrophobicContact CB-CG2 4.49Å; N121-T123 PolarHBondContact O-N 3.37Å; T123-E125 PolarHBondContact O-N 3.23Å; T123-T126 PolarHBondContact N-OG1 3.13Å; T123-T126 PolarHBondContact O-N 3.26Å; T123-T126 PolarHBondContact O-OG1 3.16Å; T123-T126 WeakPolarHBondContact OG1-CG2 3.49Å; T123-T126 PolarHBondContact OG1-N 3.37Å; T123-T126 VanDerWaalsContact OG1-N 3.11Å; T123-T126 PolarHBondContact OG1-OG1 3.39Å; T123-K127 WeakPolarHBondContact O-CB 3.35Å; T123-K127 PolarHBondContact O-N 2.91Å
124A93.6Very high96.3Very high89 Ų8947.7 Ų47.774%0.73625%0.248SC*.Hα-helixtrans-56-41.5176.200000112.1K127 E128A124-K127 PolarHBondContact O-N 2.94Å; A124-E128 PolarHBondContact O-N 2.99Å
125E96.1Very high96.2Very high108 Ų10851.1 Ų51.151%0.50528%0.277SS..Hα-helixtrans-68.1-46178.9-175.9-174.2179.500112.5T123 K127 E128 R129T123-E125 PolarHBondContact O-N 3.23Å; E125-K127 VanDerWaalsContact C-N 3.28Å; E125-K127 PolarHBondContact O-N 3.22Å; E125-E128 PolarHBondContact O-N 2.87Å; E125-R129 WeakPolarHBondContact O-CG 3.16Å; E125-R129 PolarHBondContact O-N 3.47Å; E125-R129 VanDerWaalsContact O-N 3.12Å; E125-R129 IonicContact OE1-CZ 2.92Å; E125-R129 VanDerWaalsContact OE1-CZ 3.31Å; E125-R129 IonicContact OE1-NE 2.65Å; E125-R129 IonicContact OE1-NH2 3.43Å; E125-R129 PolarHBondContact OE1-NH2 3.28Å
126T96.6Very high96.2Very high22 Ų2254.4 Ų54.414%0.13531%0.305CS..Hα-helixtrans-69.4-30.7179.1540000111.7T120 N121 T123 S130T120-T126 HydrophobicContact CG2-CG2 3.77Å; N121-T126 WeakPolarHBondContact O-CB 2.97Å; N121-T126 PolarHBondContact O-OG1 3.18Å; T123-T126 PolarHBondContact N-OG1 3.13Å; T123-T126 PolarHBondContact O-N 3.26Å; T123-T126 PolarHBondContact O-OG1 3.16Å; T123-T126 WeakPolarHBondContact OG1-CG2 3.49Å; T123-T126 PolarHBondContact OG1-N 3.37Å; T123-T126 VanDerWaalsContact OG1-N 3.11Å; T123-T126 PolarHBondContact OG1-OG1 3.39Å; T126-S130 WeakPolarHBondContact O-CB 3.23Å; T126-S130 PolarHBondContact O-N 2.74Å
127K97.4Very high96.1Very high31 Ų3157.3 Ų57.314%0.13532%0.322CS..Hα-helixtrans-63.5-49.9171.9179.456.3163.183.10111.8F122 T123 A124 E125 R129 S130 D131 Y142 L146F122-K127 HydrophobicContact CE2-CB 4.34Å; F122-K127 HydrophobicContact CE2-CD 3.74Å; F122-K127 HydrophobicContact CE2-CG 4.31Å; F122-K127 HydrophobicContact CZ-CB 4.15Å; F122-K127 HydrophobicContact CZ-CD 3.89Å; F122-K127 HydrophobicContact CZ-CG 4.04Å; T123-K127 WeakPolarHBondContact O-CB 3.35Å; T123-K127 PolarHBondContact O-N 2.91Å; A124-K127 PolarHBondContact O-N 2.94Å; E125-K127 VanDerWaalsContact C-N 3.28Å; E125-K127 PolarHBondContact O-N 3.22Å; K127-R129 VanDerWaalsContact C-N 3.33Å; K127-R129 PolarHBondContact O-N 3.21Å; K127-S130 CarbonylContact O-C 3.57Å; K127-S130 WeakPolarHBondContact O-CA 3.35Å; K127-S130 WeakPolarHBondContact O-CB 3.47Å; K127-S130 PolarHBondContact O-N 3.22Å; K127-S130 VanDerWaalsContact O-N 3.08Å; K127-D131 IonicContact NZ-OD1 3.94Å; K127-D131 PolarHBondContact NZ-OD1 3.14Å; K127-D131 IonicContact NZ-OD2 2.63Å; K127-D131 PolarHBondContact NZ-OD2 3.09Å; K127-D131 PolarHBondContact O-N 3.16Å; K127-Y142 WeakPolarHBondContact CE-O 3.25Å; K127-Y142 PolarHBondContact NZ-O 2.81Å; K127-L146 VanDerWaalsContact CA-CD2 3.49Å; K127-L146 HydrophobicContact CB-CD2 4.16Å; K127-L146 HydrophobicContact CD-CD2 4.26Å
128E97.8Very high95.9Very high122 Ų12266.7 Ų66.757%0.5736%0.362SS*.Hα-helixtrans-56.2-47.2176.5-177.8-179.7-169.700111.6A124 E125 S130 D131 I132A124-E128 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 2.87Å; E128-S130 VanDerWaalsContact C-N 3.31Å; E128-S130 PolarHBondContact O-N 2.94Å; E128-D131 PolarHBondContact O-N 3.18Å; E128-I132 HydrophobicContact CG-CD1 4.15Å; E128-I132 WeakPolarHBondContact O-CG1 3.48Å; E128-I132 PolarHBondContact O-N 3.05Å
129R97.8Very high95.9Very high158 Ų15868.5 Ų68.560%0.59637%0.371SS*.Hα-helixtrans-61.6-38.7176.2-67.5175.9-174.2-167.50.6112.6E125 K127 F133E125-R129 WeakPolarHBondContact O-CG 3.16Å; E125-R129 PolarHBondContact O-N 3.47Å; E125-R129 VanDerWaalsContact O-N 3.12Å; E125-R129 IonicContact OE1-CZ 2.92Å; E125-R129 VanDerWaalsContact OE1-CZ 3.31Å; E125-R129 IonicContact OE1-NE 2.65Å; E125-R129 IonicContact OE1-NH2 3.43Å; E125-R129 PolarHBondContact OE1-NH2 3.28Å; K127-R129 VanDerWaalsContact C-N 3.33Å; K127-R129 PolarHBondContact O-N 3.21Å; R129-F133 WeakPolarHBondContact O-CB 3.31Å; R129-F133 PolarHBondContact O-N 3.34Å
130S97.9Very high95.9Very high12 Ų1270.9 Ų70.98%0.08439%0.39CS..Hα-helixtrans-65.5-38.7175.9177.80000111.9T126 K127 E128 F133 S134 Q147T126-S130 WeakPolarHBondContact O-CB 3.23Å; T126-S130 PolarHBondContact O-N 2.74Å; K127-S130 CarbonylContact O-C 3.57Å; K127-S130 WeakPolarHBondContact O-CA 3.35Å; K127-S130 WeakPolarHBondContact O-CB 3.47Å; K127-S130 PolarHBondContact O-N 3.22Å; K127-S130 VanDerWaalsContact O-N 3.08Å; E128-S130 VanDerWaalsContact C-N 3.31Å; E128-S130 PolarHBondContact O-N 2.94Å; S130-F133 PolarHBondContact O-N 3.43Å; S130-S134 WeakPolarHBondContact O-CB 3.35Å; S130-S134 PolarHBondContact O-N 3.18Å; S130-S134 PolarHBondContact O-OG 3.47Å; S130-Q147 PolarHBondContact OG-N 2.76Å
131D98.1Very high96Very high47 Ų4771.2 Ų71.225%0.25139%0.394SS..Hα-helixtrans-69.6-42.3178.1-68.5-21.2000111.8K127 E128 F133 S134 A135K127-D131 IonicContact NZ-OD1 3.94Å; K127-D131 PolarHBondContact NZ-OD1 3.14Å; K127-D131 IonicContact NZ-OD2 2.63Å; K127-D131 PolarHBondContact NZ-OD2 3.09Å; K127-D131 PolarHBondContact O-N 3.16Å; E128-D131 PolarHBondContact O-N 3.18Å; D131-F133 VanDerWaalsContact C-N 3.3Å; D131-F133 PolarHBondContact O-N 3.38Å; D131-S134 WeakPolarHBondContact O-CB 3.46Å; D131-S134 PolarHBondContact O-N 3.17Å; D131-S134 VanDerWaalsContact O-N 3.12Å; D131-A135 PolarHBondContact O-N 3.18Å
132I98.1Very high96.2Very high108 Ų10870.7 Ų70.755%0.55439%0.391SS*.Hα-helixtrans-58.1-45.8173-67.8166.3000110.3E128 S134 A135 A136E128-I132 HydrophobicContact CG-CD1 4.15Å; E128-I132 WeakPolarHBondContact O-CG1 3.48Å; E128-I132 PolarHBondContact O-N 3.05Å; I132-S134 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 3.01Å; I132-A135 PolarHBondContact O-N 2.95Å; I132-A136 WeakPolarHBondContact O-CB 3.44Å; I132-A136 PolarHBondContact O-N 3.02Å
133F97.1Very high96.3Very high100 Ų10073.4 Ų73.444%0.43941%0.407SS..Hα-helixtrans-60.6-42.2175.5176.7-92.2000112R129 S130 D131 A136 N137 L139 Q147R129-F133 WeakPolarHBondContact O-CB 3.31Å; R129-F133 PolarHBondContact O-N 3.34Å; S130-F133 PolarHBondContact O-N 3.43Å; D131-F133 VanDerWaalsContact C-N 3.3Å; D131-F133 PolarHBondContact O-N 3.38Å; F133-A136 PolarHBondContact O-N 2.86Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.36Å; F133-N137 VanDerWaalsContact CE2-ND2 3.26Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.3Å; F133-N137 WeakPolarHBondContact O-CB 3.34Å; F133-N137 PolarHBondContact O-N 3.23Å; F133-N137 VanDerWaalsContact O-N 3.07Å; F133-N137 PolarHBondContact O-ND2 3.35Å; F133-L139 HydrophobicContact CE1-CD1 3.9Å; F133-Q147 HydrophobicContact CD1-CB 4.26Å; F133-Q147 HydrophobicContact CD1-CG 4.2Å
134S97.2Very high96.5Very high0 Ų074.5 Ų74.50%041%0.406CS..Hα-helixtrans-61.9-49.4179.2-56.40000110.9S130 D131 I132 A136 N137 K138 L139 S141 Q147S130-S134 WeakPolarHBondContact O-CB 3.35Å; S130-S134 PolarHBondContact O-N 3.18Å; S130-S134 PolarHBondContact O-OG 3.47Å; D131-S134 WeakPolarHBondContact O-CB 3.46Å; D131-S134 PolarHBondContact O-N 3.17Å; D131-S134 VanDerWaalsContact O-N 3.12Å; I132-S134 VanDerWaalsContact C-N 3.32Å; I132-S134 PolarHBondContact O-N 3.01Å; S134-A136 PolarHBondContact O-N 2.92Å; S134-N137 CarbonylContact O-C 3.53Å; S134-N137 PolarHBondContact O-N 3.04Å; S134-K138 PolarHBondContact O-N 3.18Å; S134-L139 PolarHBondContact O-N 3.15Å; S134-S141 WeakPolarHBondContact CB-OG 3.23Å; S134-Q147 WeakPolarHBondContact OG-CG 3.49Å; S134-Q147 PolarHBondContact OG-NE2 2.67Å
135A97.1Very high96.7Very high75 Ų7570.3 Ų70.362%0.6237%0.371SS*.Hα-helixtrans-59.8-45.3177.500000112.1D131 I132 N137 K138D131-A135 PolarHBondContact O-N 3.18Å; I132-A135 PolarHBondContact O-N 2.95Å; A135-N137 VanDerWaalsContact C-N 3.28Å; A135-N137 PolarHBondContact O-N 2.92Å; A135-K138 PolarHBondContact O-N 3.06Å
136A97.5Very high96.8Very high79 Ų7965.5 Ų65.565%0.65335%0.349SS*.Hα-helixtrans-63.7-32.5179.600000113.2I132 F133 S134I132-A136 WeakPolarHBondContact O-CB 3.44Å; I132-A136 PolarHBondContact O-N 3.02Å; F133-A136 PolarHBondContact O-N 2.86Å; S134-A136 PolarHBondContact O-N 2.92Å
137N96.2Very high96.9Very high86 Ų8665 Ų6546%0.4635%0.345SS..THydrogen-bonded Turntrans-100.88.2-178.9-67-88.3000113.4F133 S134 A135 L139F133-N137 WeakPolarHBondContact CD2-ND2 3.36Å; F133-N137 VanDerWaalsContact CE2-ND2 3.26Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.3Å; F133-N137 WeakPolarHBondContact O-CB 3.34Å; F133-N137 PolarHBondContact O-N 3.23Å; F133-N137 VanDerWaalsContact O-N 3.07Å; F133-N137 PolarHBondContact O-ND2 3.35Å; S134-N137 CarbonylContact O-C 3.53Å; S134-N137 PolarHBondContact O-N 3.04Å; A135-N137 VanDerWaalsContact C-N 3.28Å; A135-N137 PolarHBondContact O-N 2.92Å; N137-L139 HydrophobicContact CB-CD1 4.04Å; N137-L139 HydrophobicContact CB-CG 3.99Å; N137-L139 PolarHBondContact O-N 2.88Å
138K95.3Very high96.9Very high200 Ų20063.9 Ų63.987%0.8734%0.341SS*.THydrogen-bonded Turntrans54.538.4-177.4-54.5176.5-179.1177.30112.9S134 A135S134-K138 PolarHBondContact O-N 3.18Å; A135-K138 PolarHBondContact O-N 3.06Å
139L95.3Very high96.8Very high41 Ų4165.9 Ų65.922%0.21534%0.343CS..PPolyproline II helixtrans-98.2152.4174.6-58.1174.9000109.9F133 S134 N137 S141F133-L139 HydrophobicContact CE1-CD1 3.9Å; S134-L139 PolarHBondContact O-N 3.15Å; N137-L139 HydrophobicContact CB-CD1 4.04Å; N137-L139 HydrophobicContact CB-CG 3.99Å; N137-L139 PolarHBondContact O-N 2.88Å; L139-S141 PolarHBondContact O-N 3.25Å
140A92.5Very high96.8Very high63 Ų6359.5 Ų59.552%0.52132%0.322SS..PPolyproline II helixtrans-67.5129.8173.100000110.6Q147A140-Q147 PolarHBondContact O-NE2 3.27Å
141S95.6Very high96.7Very high63 Ų6363 Ų6344%0.44134%0.343SS..PPolyproline II helixtrans-75.8145.5170.5-60.70000110.7S134 L139S134-S141 WeakPolarHBondContact CB-OG 3.23Å; L139-S141 PolarHBondContact O-N 3.25Å
142Y97.2Very high96.6Very high11 Ų1162 Ų624%0.04334%0.343CS..PPolyproline II helixtrans-100.6155.4176.6-55.2-50.1000110.2K127 L145 Q147 R228 W231 E232 D235K127-Y142 WeakPolarHBondContact CE-O 3.25Å; K127-Y142 PolarHBondContact NZ-O 2.81Å; Y142-L145 HydrophobicContact CD2-CB 4.27Å; Y142-L145 HydrophobicContact CG-CB 4.41Å; Y142-Q147 HydrophobicContact CE2-CG 4.5Å; Y142-R228 PolarHBondContact OH-O 2.9Å; Y142-R228 VanDerWaalsContact OH-O 3.13Å; Y142-W231 HydrophobicContact CE2-CB 3.98Å; Y142-W231 HydrophobicContact CE2-CG 4.48Å; Y142-E232 HydrophobicContact CE1-CB 4Å; Y142-D235 HydrophobicContact CD1-CB 4.08Å; Y142-D235 HydrophobicContact CG-CB 4.33Å
143D95.9Very high96.6Very high80 Ų8057.1 Ų57.143%0.42832%0.319SS..SBendtrans-86-41.6178.7-70.6-26000112.2D235 R239D143-D235 PolarHBondContact N-OD1 2.99Å; D143-D235 PolarHBondContact N-OD2 2.98Å; D143-R239 IonicContact OD1-NH2 2.92Å; D143-R239 IonicContact OD2-CZ 3.94Å; D143-R239 IonicContact OD2-NE 3.01Å; D143-R239 PolarHBondContact OD2-NE 3.36Å; D143-R239 IonicContact OD2-NH2 3.31Å; D143-R239 PolarHBondContact OD2-NH2 2.83Å
144Y96.4Very high96.7Very high70 Ų7052.8 Ų52.828%0.27530%0.3SS..SBendtrans-111.7-5-169.5-60.7-85.9000113.6F122 D235 L238 R239 F242F122-Y144 WeakPolarHBondContact CD2-O 3.39Å; F122-Y144 WeakPolarHBondContact CE2-O 3.25Å; Y144-D235 WeakPolarHBondContact CA-OD1 3.39Å; Y144-D235 WeakPolarHBondContact CB-OD1 3.47Å; Y144-D235 PolarHBondContact N-OD1 2.87Å; Y144-L238 HydrophobicContact CD2-CB 4.05Å; Y144-L238 HydrophobicContact CG-CB 3.89Å; Y144-R239 HydrophobicContact CD2-CB 4.18Å; Y144-R239 HydrophobicContact CE2-CB 3.64Å; Y144-R239 HydrophobicContact CE2-CG 4.03Å; Y144-F242 AromaticContact CD1-CD2 3.53Å; Y144-F242 HydrophobicContact CD1-CD2 3.53Å; Y144-F242 AromaticContact CD1-CE2 3.63Å; Y144-F242 HydrophobicContact CD1-CE2 3.63Å; Y144-F242 HydrophobicContact CE1-CB 4.17Å; Y144-F242 AromaticContact CE1-CD2 3.26Å; Y144-F242 HydrophobicContact CE1-CD2 3.26Å; Y144-F242 AromaticContact CE1-CE2 3.83Å; Y144-F242 HydrophobicContact CE1-CE2 3.83Å; Y144-F242 AromaticContact CE1-CG 3.9Å; Y144-F242 HydrophobicContact CE1-CG 3.9Å; Y144-F242 HydrophobicContact CG-CD2 4.31Å; Y144-F242 HydrophobicContact CG-CE2 4.42Å; Y144-F242 AromaticContact CZ-CD2 3.89Å
145L98.2Very high96.7Very high1 Ų153.6 Ų53.61%0.00530%0.304CS..SBendtrans-127.3158-175.9-61.3179.8000112N35 Y142 W231 K234 D235 L238N35-L145 HydrophobicContact CB-CD2 3.42Å; N35-L145 VanDerWaalsContact CB-CD2 3.42Å; Y142-L145 HydrophobicContact CD2-CB 4.27Å; Y142-L145 HydrophobicContact CG-CB 4.41Å; L145-W231 HydrophobicContact CD1-CG 4.39Å; L145-W231 WeakPolarHBondContact CD1-O 3.21Å; L145-K234 HydrophobicContact CD1-CB 3.53Å; L145-K234 HydrophobicContact CD1-CD 4.4Å; L145-D235 HydrophobicContact CD1-CB 4.03Å; L145-D235 HydrophobicContact CG-CB 4.42Å; L145-D235 PolarHBondContact N-OD1 2.83Å; L145-L238 HydrophobicContact CD1-CD1 4.26Å; L145-L238 HydrophobicContact CD2-CD1 3.46Å; L145-L238 VanDerWaalsContact CD2-CD1 3.46Å; L145-L238 HydrophobicContact CG-CD1 3.78Å
146L98.3Very high96.7Very high6 Ų650.1 Ų50.13%0.03128%0.275CS..PPolyproline II helixtrans-88.4158.6163.9-50.3-178.6000110.2E118 T120 F122 K127 W231E118-L146 HydrophobicContact CB-CB 4.15Å; E118-L146 HydrophobicContact CB-CD1 4.45Å; E118-L146 HydrophobicContact CG-CB 3.95Å; E118-L146 WeakPolarHBondContact OE2-CB 3.25Å; E118-L146 VanDerWaalsContact OE2-CG 3.3Å; E118-L146 WeakPolarHBondContact OE2-CG 3.24Å; E118-L146 PolarHBondContact OE2-N 3.03Å; E118-L146 VanDerWaalsContact OE2-N 3.16Å; T120-L146 HydrophobicContact CG2-CD1 3.57Å; F122-L146 HydrophobicContact CD2-CD2 3.65Å; F122-L146 HydrophobicContact CD2-CG 3.89Å; F122-L146 HydrophobicContact CE2-CD2 4.03Å; F122-L146 HydrophobicContact CG-CD2 4.42Å; K127-L146 VanDerWaalsContact CA-CD2 3.49Å; K127-L146 HydrophobicContact CB-CD2 4.16Å; K127-L146 HydrophobicContact CD-CD2 4.26Å; L146-W231 VanDerWaalsContact O-CD1 3.28Å; L146-W231 PolarHBondContact O-NE1 2.73Å
147Q97.8Very high96.6Very high12 Ų1246.5 Ų46.56%0.05625%0.245CC..PPolyproline II helixtrans-58.7129.9170-76.9-69-500110.4S130 F133 S134 A140 Y142 R149S130-Q147 PolarHBondContact OG-N 2.76Å; F133-Q147 HydrophobicContact CD1-CB 4.26Å; F133-Q147 HydrophobicContact CD1-CG 4.2Å; S134-Q147 WeakPolarHBondContact OG-CG 3.49Å; S134-Q147 PolarHBondContact OG-NE2 2.67Å; A140-Q147 PolarHBondContact O-NE2 3.27Å; Y142-Q147 HydrophobicContact CE2-CG 4.5Å; Q147-R149 PolarHBondContact O-N 3.36Å
148P97.9Very high96.6Very high7 Ų744.9 Ų44.95%0.04523%0.233CC..PPolyproline II helixtrans-68.8134.6176.128.7-33000110.2P117 T150 L227 R228 W231P117-P148 HydrophobicContact CB-CB 3.75Å; P148-T150 PolarHBondContact O-N 2.88Å; P148-L227 HydrophobicContact CB-CD2 4.28Å; P148-L227 HydrophobicContact CB-CG 4.31Å; P148-L227 HydrophobicContact CG-CG 4.41Å; P148-R228 HydrophobicContact CG-CG 4.3Å; P148-W231 HydrophobicContact CB-CD2 3.85Å; P148-W231 HydrophobicContact CB-CE3 4.3Å; P148-W231 HydrophobicContact CB-CG 4.1Å; P148-W231 HydrophobicContact CG-CB 4.06Å; P148-W231 HydrophobicContact CG-CD2 3.93Å; P148-W231 HydrophobicContact CG-CE3 4.44Å; P148-W231 HydrophobicContact CG-CG 3.71Å
149R95.7Very high96.5Very high164 Ų16436.1 Ų36.162%0.61920%0.196SC*.  trans-75104.5167.7-60.1-176.3179.1-130.9-2108.5P117 Q147 T153P117-R149 WeakPolarHBondContact O-CB 3.27Å; P117-R149 PolarHBondContact O-N 2.9Å; Q147-R149 PolarHBondContact O-N 3.36Å; R149-T153 PolarHBondContact O-OG1 3.06Å
150T96.6Very high96.5Very high25 Ų2534.2 Ų34.215%0.15319%0.186CC..Hα-helixtrans-74.7-42.6-169.155.50000113P148 G152 T153 V154 A224 L227 R228P148-T150 PolarHBondContact O-N 2.88Å; T150-G152 PolarHBondContact O-N 2.87Å; T150-T153 PolarHBondContact O-N 2.95Å; T150-T153 VanDerWaalsContact O-N 3.14Å; T150-V154 WeakPolarHBondContact O-CB 3.46Å; T150-V154 VanDerWaalsContact O-CG2 3.32Å; T150-V154 WeakPolarHBondContact O-CG2 3.3Å; T150-V154 PolarHBondContact O-N 3.5Å; T150-A224 HydrophobicContact CG2-CB 3.91Å; T150-L227 HydrophobicContact CG2-CD2 4.24Å; T150-R228 HydrophobicContact CG2-CG 4.49Å
151T96.9Very high96.5Very high86 Ų8631.4 Ų31.453%0.52816%0.162SC..Hα-helixtrans-48.4-55.9-168.8-47.70000114W90 H155W90-T151 HydrophobicContact CD2-CG2 3.85Å; W90-T151 HydrophobicContact CE3-CG2 3.75Å; W90-T151 HydrophobicContact CH2-CG2 4.04Å; W90-T151 HydrophobicContact CZ2-CG2 4.12Å; W90-T151 HydrophobicContact CZ3-CG2 3.86Å; T151-H155 VanDerWaalsContact O-CB 3.31Å; T151-H155 WeakPolarHBondContact O-CB 3.41Å; T151-H155 PolarHBondContact O-N 3.36Å; T151-H155 VanDerWaalsContact O-N 3.11Å
152G96.9Very high96.2Very high25 Ų2533.5 Ų33.526%0.25816%0.163SC..Hα-helixtrans-69.7-40.1-177.900000113.3T150 L156T150-G152 PolarHBondContact O-N 2.87Å; G152-L156 WeakPolarHBondContact O-CB 3.19Å; G152-L156 PolarHBondContact O-N 2.81Å
153T97.6Very high95.6Very high6 Ų635.8 Ų35.84%0.03717%0.172CC..Hα-helixtrans-68.8-45-178.7-52.60000111.3L33 V115 P117 R149 T150 L156 I157 L227L33-T153 HydrophobicContact CD2-CG2 3.86Å; V115-T153 HydrophobicContact CG1-CG2 4.43Å; P117-T153 HydrophobicContact CB-CG2 4.48Å; P117-T153 HydrophobicContact CG-CG2 3.91Å; R149-T153 PolarHBondContact O-OG1 3.06Å; T150-T153 PolarHBondContact O-N 2.95Å; T150-T153 VanDerWaalsContact O-N 3.14Å; T153-L156 PolarHBondContact O-N 3.08Å; T153-I157 HydrophobicContact CG2-CD1 4.01Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.45Å; T153-L227 HydrophobicContact CG2-CD1 4.26Å; T153-L227 HydrophobicContact CG2-CD2 3.72Å
154V98.2Very high94.5Very high8 Ų834.6 Ų34.65%0.04817%0.165CC..Hα-helixtrans-60.6-46.7175.9168.10000110.2T150 I157 K158 D220 L223 A224T150-V154 WeakPolarHBondContact O-CB 3.46Å; T150-V154 VanDerWaalsContact O-CG2 3.32Å; T150-V154 WeakPolarHBondContact O-CG2 3.3Å; T150-V154 PolarHBondContact O-N 3.5Å; V154-I157 PolarHBondContact O-N 2.93Å; V154-K158 VanDerWaalsContact O-CB 3.25Å; V154-K158 WeakPolarHBondContact O-CB 3.33Å; V154-K158 PolarHBondContact O-N 3.5Å; V154-D220 HydrophobicContact CG1-CB 4.13Å; V154-L223 HydrophobicContact CG1-CB 3.79Å; V154-L223 HydrophobicContact CG1-CD1 4.14Å; V154-L223 HydrophobicContact CG2-CB 4.14Å; V154-A224 HydrophobicContact CG2-CB 4.07Å
155H97.7Very high92.9Very high18 Ų1838.3 Ų38.38%0.08319%0.188CC..Hα-helixtrans-62-46.1178.2-174.978.9000112.6W90 D98 T151 I157 K158 E159W90-H155 HydrophobicContact CH2-CB 3.53Å; W90-H155 AromaticContact CH2-CD2 3.97Å; W90-H155 AromaticContact CH2-CG 3.48Å; W90-H155 VanDerWaalsContact CH2-CG 3.48Å; W90-H155 AromaticContact CH2-ND1 3.82Å; W90-H155 HydrophobicContact CZ3-CB 4.14Å; D98-H155 IonicContact OD1-CD2 2.97Å; D98-H155 IonicContact OD1-CE1 2.75Å; D98-H155 PolarHBondContact OD1-CE1 2.98Å; D98-H155 VanDerWaalsContact OD1-CE1 3.27Å; D98-H155 IonicContact OD1-NE2 3.77Å; D98-H155 PolarHBondContact OD1-NE2 3.36Å; T151-H155 VanDerWaalsContact O-CB 3.31Å; T151-H155 WeakPolarHBondContact O-CB 3.41Å; T151-H155 PolarHBondContact O-N 3.36Å; T151-H155 VanDerWaalsContact O-N 3.11Å; H155-I157 PolarHBondContact O-N 3.37Å; H155-K158 PolarHBondContact O-N 2.8Å; H155-E159 IonicContact CE1-OE1 3.27Å; H155-E159 WeakPolarHBondContact O-CB 3.34Å; H155-E159 WeakPolarHBondContact O-CG 3.36Å; H155-E159 PolarHBondContact O-N 3.22Å
156L97.2Very high91.3Very high2 Ų242.6 Ų42.61%0.0122%0.224CC..Hα-helixtrans-54.3-52.2174.8177.571.6000111.4V31 I63 L97 V113 G152 T153 E159 F160V31-L156 HydrophobicContact CG1-CD2 4.33Å; I63-L156 HydrophobicContact CD1-CD1 4.42Å; I63-L156 HydrophobicContact CD1-CD2 3.54Å; L97-L156 HydrophobicContact CD2-CB 4.32Å; L97-L156 HydrophobicContact CD2-CD1 3.96Å; V113-L156 HydrophobicContact CG1-CD2 4.47Å; G152-L156 WeakPolarHBondContact O-CB 3.19Å; G152-L156 PolarHBondContact O-N 2.81Å; T153-L156 PolarHBondContact O-N 3.08Å; L156-E159 PolarHBondContact O-N 3.16Å; L156-F160 HydrophobicContact CD1-CD2 4.07Å; L156-F160 HydrophobicContact CD1-CE2 3.57Å; L156-F160 HydrophobicContact CG-CD2 4.1Å; L156-F160 HydrophobicContact CG-CE2 3.97Å; L156-F160 VanDerWaalsContact O-CD2 3.28Å; L156-F160 WeakPolarHBondContact O-CD2 3.15Å; L156-F160 PolarHBondContact O-N 3.39Å; L156-F160 VanDerWaalsContact O-N 3.1Å
157I96.3Very high89.8Confident3 Ų345.3 Ų45.32%0.01525%0.253CS..Hα-helixtrans-60.7-48.3-180-70.3170000109.9L33 T153 V154 H155 E159 F160 L161 I173 W226L33-I157 HydrophobicContact CD1-CD1 4.48Å; L33-I157 HydrophobicContact CD2-CD1 4.39Å; T153-I157 HydrophobicContact CG2-CD1 4.01Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.45Å; V154-I157 PolarHBondContact O-N 2.93Å; H155-I157 PolarHBondContact O-N 3.37Å; I157-E159 VanDerWaalsContact C-N 3.34Å; I157-E159 PolarHBondContact O-N 3.21Å; I157-F160 WeakPolarHBondContact O-CB 3.41Å; I157-F160 PolarHBondContact O-N 2.99Å; I157-F160 VanDerWaalsContact O-N 3.13Å; I157-L161 HydrophobicContact CG2-CD1 3.58Å; I157-L161 HydrophobicContact CG2-CG 3.99Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 2.78Å; I157-I173 HydrophobicContact CD1-CD1 4.19Å; I157-I173 HydrophobicContact CG1-CD1 4.26Å; I157-I173 HydrophobicContact CG2-CD1 4Å; I157-W226 HydrophobicContact CD1-CZ3 4.02Å
158K94.8Very high88.2Confident51 Ų5149.1 Ų49.122%0.22227%0.274CS..Hα-helixtrans-61-41.3-179.3-178.2166.8-176.6177.80112.5V154 H155 F160 L161 K162 D220 L223V154-K158 VanDerWaalsContact O-CB 3.25Å; V154-K158 WeakPolarHBondContact O-CB 3.33Å; V154-K158 PolarHBondContact O-N 3.5Å; H155-K158 PolarHBondContact O-N 2.8Å; K158-F160 VanDerWaalsContact C-N 3.34Å; K158-F160 PolarHBondContact O-N 3.02Å; K158-L161 PolarHBondContact O-N 3.11Å; K158-K162 HydrophobicContact CG-CD 4.33Å; K158-K162 HydrophobicContact CG-CG 4.45Å; K158-K162 WeakPolarHBondContact O-CB 3.4Å; K158-K162 VanDerWaalsContact O-CG 3.28Å; K158-K162 WeakPolarHBondContact O-CG 3.27Å; K158-K162 PolarHBondContact O-N 3.31Å; K158-D220 WeakPolarHBondContact CD-OD1 3.09Å; K158-D220 WeakPolarHBondContact CE-OD1 3.15Å; K158-D220 IonicContact NZ-OD1 3.1Å; K158-D220 PolarHBondContact NZ-OD1 2.89Å; K158-D220 IonicContact NZ-OD2 3.68Å; K158-D220 PolarHBondContact NZ-OD2 3.19Å; K158-L223 HydrophobicContact CB-CD1 4.26Å
159E94Very high87.4Confident17 Ų1749 Ų498%0.07927%0.273CS..Hα-helixtrans-64.3-38.9175.7-72.9-55.8118.700111.9D98 H155 L156 I157 K162 R163D98-E159 WeakPolarHBondContact OD1-CG 3.33Å; H155-E159 IonicContact CE1-OE1 3.27Å; H155-E159 WeakPolarHBondContact O-CB 3.34Å; H155-E159 WeakPolarHBondContact O-CG 3.36Å; H155-E159 PolarHBondContact O-N 3.22Å; L156-E159 PolarHBondContact O-N 3.16Å; I157-E159 VanDerWaalsContact C-N 3.34Å; I157-E159 PolarHBondContact O-N 3.21Å; E159-K162 IonicContact OE1-NZ 3.44Å; E159-K162 PolarHBondContact OE1-NZ 3.42Å; E159-R163 PolarHBondContact O-NH1 3.44Å; E159-R163 IonicContact OE2-CZ 3.48Å; E159-R163 IonicContact OE2-NH1 3.86Å; E159-R163 PolarHBondContact OE2-NH1 2.61Å; E159-R163 IonicContact OE2-NH2 3.53Å; E159-R163 PolarHBondContact OE2-NH2 3.36Å
160F94.9Very high87.3Confident0 Ų041.6 Ų41.60%025%0.246CC..Hα-helixtrans-65.2-45.4171.3-80.8-60.6000112.3V31 Y104 F111 V113 L156 I157 K158 R163 I164 S169 L170V31-F160 HydrophobicContact CG2-CD2 3.63Å; V31-F160 HydrophobicContact CG2-CE2 3.71Å; Y104-F160 HydrophobicContact CD2-CZ 4.44Å; F111-F160 AromaticContact CE2-CE1 3.88Å; F111-F160 HydrophobicContact CE2-CE1 3.88Å; F111-F160 AromaticContact CE2-CZ 3.9Å; F111-F160 HydrophobicContact CE2-CZ 3.9Å; F111-F160 HydrophobicContact CZ-CD1 4.19Å; F111-F160 AromaticContact CZ-CE1 3.55Å; F111-F160 HydrophobicContact CZ-CE1 3.55Å; F111-F160 HydrophobicContact CZ-CZ 4.07Å; V113-F160 HydrophobicContact CG2-CZ 4.3Å; L156-F160 HydrophobicContact CD1-CD2 4.07Å; L156-F160 HydrophobicContact CD1-CE2 3.57Å; L156-F160 HydrophobicContact CG-CD2 4.1Å; L156-F160 HydrophobicContact CG-CE2 3.97Å; L156-F160 VanDerWaalsContact O-CD2 3.28Å; L156-F160 WeakPolarHBondContact O-CD2 3.15Å; L156-F160 PolarHBondContact O-N 3.39Å; L156-F160 VanDerWaalsContact O-N 3.1Å; I157-F160 WeakPolarHBondContact O-CB 3.41Å; I157-F160 PolarHBondContact O-N 2.99Å; I157-F160 VanDerWaalsContact O-N 3.13Å; K158-F160 VanDerWaalsContact C-N 3.34Å; K158-F160 PolarHBondContact O-N 3.02Å; F160-R163 PolarHBondContact O-N 2.93Å; F160-I164 PolarHBondContact O-N 3.31Å; F160-S169 VanDerWaalsContact O-CB 3.26Å; F160-S169 WeakPolarHBondContact O-CB 3.48Å; F160-S169 PolarHBondContact O-OG 3.35Å; F160-L170 HydrophobicContact CB-CB 4.18Å; F160-L170 HydrophobicContact CB-CD2 4.01Å; F160-L170 HydrophobicContact CB-CG 4.49Å; F160-L170 HydrophobicContact CG-CD1 4.43Å
161L93Very high87.2Confident4 Ų443.5 Ų43.52%0.02126%0.255CS..Hα-helixtrans-62.8-44.2-178.9-69.5175.3000112.2I157 K158 R163 I164 L212 L215 A216I157-L161 HydrophobicContact CG2-CD1 3.58Å; I157-L161 HydrophobicContact CG2-CG 3.99Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 2.78Å; K158-L161 PolarHBondContact O-N 3.11Å; L161-R163 PolarHBondContact O-N 2.79Å; L161-I164 HydrophobicContact CD2-CD1 3.59Å; L161-I164 VanDerWaalsContact O-CB 3.29Å; L161-I164 WeakPolarHBondContact O-CB 3.38Å; L161-I164 PolarHBondContact O-N 3Å; L161-L212 HydrophobicContact CD2-CB 4.06Å; L161-L212 HydrophobicContact CD2-CD2 4.24Å; L161-L215 HydrophobicContact CD1-CB 3.8Å; L161-A216 HydrophobicContact CB-CB 4.33Å
162K89.4Confident87.2Confident108 Ų10839.4 Ų39.447%0.4723%0.229SC..Hα-helixtrans-54-37.7174.6-76171.1-179169.80112.3K158 E159K158-K162 HydrophobicContact CG-CD 4.33Å; K158-K162 HydrophobicContact CG-CG 4.45Å; K158-K162 WeakPolarHBondContact O-CB 3.4Å; K158-K162 VanDerWaalsContact O-CG 3.28Å; K158-K162 WeakPolarHBondContact O-CG 3.27Å; K158-K162 PolarHBondContact O-N 3.31Å; E159-K162 IonicContact OE1-NZ 3.44Å; E159-K162 PolarHBondContact OE1-NZ 3.42Å
163R83.6Confident87.2Confident58 Ų5838.2 Ų38.222%0.21922%0.217CC..Hα-helixtrans-81.6-12.6-179.9-68.8169.4-178.770.3-2.9113.2S105 E159 F160 L161 I165 A166 S169S105-R163 VanDerWaalsContact OG-CD 3.27Å; S105-R163 WeakPolarHBondContact OG-CD 3.41Å; E159-R163 PolarHBondContact O-NH1 3.44Å; E159-R163 IonicContact OE2-CZ 3.48Å; E159-R163 IonicContact OE2-NH1 3.86Å; E159-R163 PolarHBondContact OE2-NH1 2.61Å; E159-R163 IonicContact OE2-NH2 3.53Å; E159-R163 PolarHBondContact OE2-NH2 3.36Å; F160-R163 PolarHBondContact O-N 2.93Å; L161-R163 PolarHBondContact O-N 2.79Å; R163-I165 VanDerWaalsContact C-N 3.25Å; R163-I165 PolarHBondContact O-N 2.94Å; R163-A166 WeakPolarHBondContact O-CB 3.44Å; R163-A166 PolarHBondContact O-N 3.04Å; R163-S169 WeakPolarHBondContact CB-OG 3.44Å; R163-S169 WeakPolarHBondContact O-CB 3.37Å
164I73.8Confident87.3Confident55 Ų5537.9 Ų37.928%0.28222%0.215SC..Hα-helixtrans-62.8-38.1171-65.2178.2000110F160 L161 A166 G167 L170 L212F160-I164 PolarHBondContact O-N 3.31Å; L161-I164 HydrophobicContact CD2-CD1 3.59Å; L161-I164 VanDerWaalsContact O-CB 3.29Å; L161-I164 WeakPolarHBondContact O-CB 3.38Å; L161-I164 PolarHBondContact O-N 3Å; I164-A166 PolarHBondContact O-N 3.21Å; I164-A166 VanDerWaalsContact O-N 3.16Å; I164-G167 WeakPolarHBondContact O-CA 3.14Å; I164-G167 PolarHBondContact O-N 2.97Å; I164-L170 HydrophobicContact CD1-CB 4Å; I164-L170 WeakPolarHBondContact CD1-O 3.47Å; I164-L170 HydrophobicContact CG1-CB 4.09Å; I164-L212 HydrophobicContact CD1-CB 4.42Å; I164-L212 HydrophobicContact CD1-CD1 4.07Å
165I62.5Low87.3Confident149 Ų14937.5 Ų37.576%0.76421%0.213SC*.THydrogen-bonded Turntrans-60.3-26.7178.2-57.4174.2000111R163 G167R163-I165 VanDerWaalsContact C-N 3.25Å; R163-I165 PolarHBondContact O-N 2.94Å; I165-G167 VanDerWaalsContact C-N 3.27Å; I165-G167 PolarHBondContact O-N 3.3Å
166A65Low87.3Confident91 Ų9136.7 Ų36.775%0.75221%0.209SC*.THydrogen-bonded Turntrans-82.53.4173.100000114.3R163 I164R163-A166 WeakPolarHBondContact O-CB 3.44Å; R163-A166 PolarHBondContact O-N 3.04Å; I164-A166 PolarHBondContact O-N 3.21Å; I164-A166 VanDerWaalsContact O-N 3.16Å
167G65.4Low87.4Confident63 Ų6336.9 Ų36.965%0.64921%0.211SC*.THydrogen-bonded Turntrans93.56.3166.300000117.5I164 I165I164-G167 WeakPolarHBondContact O-CA 3.14Å; I164-G167 PolarHBondContact O-N 2.97Å; I165-G167 VanDerWaalsContact C-N 3.27Å; I165-G167 PolarHBondContact O-N 3.3Å
168N65.4Low87.4Confident92 Ų9236.9 Ų36.949%0.49221%0.211SC..  trans-158.431.2-173.8-151.914.5000119K29K29-N168 PolarHBondContact NZ-ND2 3.42Å; K29-N168 PolarHBondContact NZ-O 2.93Å; K29-N168 PolarHBondContact NZ-OD1 2.93Å
169S81.1Confident87.3Confident3 Ų334.7 Ų34.72%0.02120%0.202CC..SBendtrans-99.9-58.7-168.3-1720000115.8S105 F111 F160 R163S105-S169 PolarHBondContact OG-OG 3.27Å; F111-S169 WeakPolarHBondContact CZ-O 3.42Å; F160-S169 VanDerWaalsContact O-CB 3.26Å; F160-S169 WeakPolarHBondContact O-CB 3.48Å; F160-S169 PolarHBondContact O-OG 3.35Å; R163-S169 WeakPolarHBondContact CB-OG 3.44Å; R163-S169 WeakPolarHBondContact O-CB 3.37Å
170L92.8Very high87.3Confident10 Ų1034.1 Ų34.15%0.05220%0.199CC..  trans-146.5127.7-167.9-172.677.2000110.3K29 V31 F111 F160 I164 I173 L212K29-L170 WeakPolarHBondContact O-CD1 3.43Å; V31-L170 HydrophobicContact CG2-CD1 3.92Å; F111-L170 HydrophobicContact CE2-CD1 4.38Å; F111-L170 HydrophobicContact CZ-CD1 4.46Å; F160-L170 HydrophobicContact CB-CB 4.18Å; F160-L170 HydrophobicContact CB-CD2 4.01Å; F160-L170 HydrophobicContact CB-CG 4.49Å; F160-L170 HydrophobicContact CG-CD1 4.43Å; I164-L170 HydrophobicContact CD1-CB 4Å; I164-L170 WeakPolarHBondContact CD1-O 3.47Å; I164-L170 HydrophobicContact CG1-CB 4.09Å; L170-I173 HydrophobicContact CD2-CG1 4.05Å; L170-L212 HydrophobicContact CD2-CD1 4.19Å; L170-L212 HydrophobicContact CD2-CD2 4.42Å; L170-L212 HydrophobicContact CG-CD1 4.28Å
171D94.5Very high86.9Confident64 Ų6436 Ų3634%0.34221%0.211SC..SBendtrans-91.6-33.9-177.9-62.1-48.3000112.4D28 K29D28-D171 HydrophobicContact CB-CB 4.39Å; K29-D171 WeakPolarHBondContact CB-OD2 3.28Å; K29-D171 PolarHBondContact N-OD2 2.82Å; K29-D171 PolarHBondContact O-N 3.43Å
172C96.4Very high86.5Confident0 Ų038.1 Ų38.10%022%0.223CC..EExtended strand (participates in β ladder)trans-160.6167.3-178.362.70000112.8D28 K29 A30 V31 Y174 R206 Y207D28-C172 PolarHBondContact OD2-SG 3.43Å; K29-C172 PolarHBondContact O-N 3.14Å; A30-C172 WeakPolarHBondContact CA-O 3.4Å; V31-C172 PolarHBondContact N-O 3.31Å; C172-Y174 WeakPolarHBondContact SG-CE2 3.43Å; C172-R206 HydrophobicContact CB-CG 3.92Å; C172-Y207 CarbonylContact C-O 3.57Å; C172-Y207 WeakPolarHBondContact CA-O 3.46Å; C172-Y207 VanDerWaalsContact CB-O 3.28Å; C172-Y207 WeakPolarHBondContact CB-O 3.31Å
173I98.3Very high86.1Confident0 Ų036.6 Ų36.60%022%0.22CC..EExtended strand (participates in β ladder)trans-114.3130161.1-65167.2000106.9V31 L33 I157 L170 Y207 L212 L215 W226V31-I173 HydrophobicContact CB-CG1 4.35Å; V31-I173 CarbonylContact O-C 3.59Å; V31-I173 WeakPolarHBondContact O-CA 3.4Å; L33-I173 HydrophobicContact CD1-CG2 3.71Å; L33-I173 HydrophobicContact CG-CG2 3.74Å; I157-I173 HydrophobicContact CD1-CD1 4.19Å; I157-I173 HydrophobicContact CG1-CD1 4.26Å; I157-I173 HydrophobicContact CG2-CD1 4Å; L170-I173 HydrophobicContact CD2-CG1 4.05Å; I173-Y207 HydrophobicContact CB-CD2 4.34Å; I173-Y207 HydrophobicContact CG2-CD2 4.23Å; I173-Y207 PolarHBondContact N-O 2.97Å; I173-Y207 WeakPolarHBondContact O-CB 3.41Å; I173-Y207 PolarHBondContact O-N 3.07Å; I173-L212 HydrophobicContact CB-CD2 4.41Å; I173-L212 HydrophobicContact CD1-CD2 3.66Å; I173-L212 HydrophobicContact CG1-CD2 3.75Å; I173-L215 HydrophobicContact CD1-CD1 4.07Å; I173-W226 HydrophobicContact CD1-CH2 4.17Å; I173-W226 HydrophobicContact CG2-CH2 4.43Å
174Y98.5Very high86.1Confident0 Ų036.5 Ų36.50%022%0.223CC..EExtended strand (participates in β ladder)trans-97.5125171.4-74.3-76.4000109.9C23 I24 R25 D28 A30 V31 L32 L33 C172 V204 E205 R206C23-Y174 PolarHBondContact O-OH 3.34Å; I24-Y174 HydrophobicContact CB-CE2 4.41Å; I24-Y174 HydrophobicContact CG1-CD1 4.12Å; I24-Y174 HydrophobicContact CG1-CD2 4.36Å; I24-Y174 HydrophobicContact CG1-CE1 4.21Å; I24-Y174 HydrophobicContact CG1-CE2 4.47Å; I24-Y174 HydrophobicContact CG1-CG 4.18Å; I24-Y174 HydrophobicContact CG2-CD2 4.16Å; I24-Y174 HydrophobicContact CG2-CE2 3.86Å; R25-Y174 PolarHBondContact N-OH 2.65Å; D28-Y174 HydrophobicContact CB-CE2 4.41Å; D28-Y174 PolarHBondContact OD2-OH 2.95Å; D28-Y174 VanDerWaalsContact OD2-OH 3.13Å; A30-Y174 HydrophobicContact CB-CD2 3.69Å; A30-Y174 HydrophobicContact CB-CE2 3.92Å; V31-Y174 PolarHBondContact O-N 3.16Å; L32-Y174 HydrophobicContact CD2-CD2 3.55Å; L32-Y174 HydrophobicContact CD2-CG 4.02Å; L33-Y174 PolarHBondContact N-O 2.93Å; C172-Y174 WeakPolarHBondContact SG-CE2 3.43Å; Y174-V204 HydrophobicContact CD1-CG1 3.62Å; Y174-V204 HydrophobicContact CE1-CG1 4.3Å; Y174-V204 HydrophobicContact CG-CG1 4.4Å; Y174-E205 CarbonylContact C-O 3.57Å; Y174-E205 WeakPolarHBondContact CA-O 3.28Å; Y174-R206 HydrophobicContact CD1-CB 3.87Å; Y174-R206 HydrophobicContact CD1-CG 3.92Å; Y174-R206 HydrophobicContact CE1-CB 3.66Å; Y174-R206 HydrophobicContact CE1-CG 3.48Å; Y174-R206 VanDerWaalsContact CE1-CG 3.48Å; Y174-R206 PolarHBondContact OH-NE 3.49Å
175D98.5Very high86.5Confident0 Ų033.9 Ų33.90%021%0.21CC..EExtended strand (participates in β ladder)trans-91.4114.2172.1-169.747.9000110.1V204 E205 Y207 V230 K234 R237D175-V204 WeakPolarHBondContact O-CA 2.86Å; D175-E205 HydrophobicContact CB-CB 4.3Å; D175-E205 PolarHBondContact N-O 2.75Å; D175-E205 PolarHBondContact O-N 2.61Å; D175-Y207 HydrophobicContact CB-CD2 4.34Å; D175-Y207 HydrophobicContact CB-CE2 3.63Å; D175-V230 WeakPolarHBondContact OD1-CG1 3.35Å; D175-K234 WeakPolarHBondContact OD1-CE 3.27Å; D175-K234 IonicContact OD1-NZ 2.74Å; D175-K234 PolarHBondContact OD1-NZ 3.12Å; D175-K234 IonicContact OD2-NZ 3.83Å; D175-K234 PolarHBondContact OD2-NZ 2.82Å; D175-R237 IonicContact OD2-CZ 2.98Å; D175-R237 IonicContact OD2-NH1 3.2Å; D175-R237 PolarHBondContact OD2-NH1 3.09Å; D175-R237 IonicContact OD2-NH2 3.7Å
176I98.4Very high87.5Confident0 Ų028.7 Ų28.70%018%0.182CC..EExtended strand (participates in β ladder)trans-118.6121-172.2-50.4-178.7000110.1I24 L32 L33 M34 N35 F45 F202 H203 V204 K234I24-I176 HydrophobicContact CD1-CD1 3.74Å; L32-I176 HydrophobicContact CB-CD1 3.89Å; L32-I176 HydrophobicContact CD1-CD1 4.24Å; L32-I176 HydrophobicContact CD2-CD1 4.46Å; L32-I176 HydrophobicContact CG-CD1 4.43Å; L33-I176 PolarHBondContact O-N 3.43Å; M34-I176 WeakPolarHBondContact CA-O 3.28Å; M34-I176 HydrophobicContact CB-CB 4.18Å; M34-I176 HydrophobicContact CG-CB 3.98Å; M34-I176 HydrophobicContact CG-CG2 3.9Å; M34-I176 HydrophobicContact SD-CB 4.24Å; M34-I176 HydrophobicContact SD-CG2 3.67Å; N35-I176 PolarHBondContact OD1-O 2.87Å; F45-I176 HydrophobicContact CE1-CD1 4.28Å; F45-I176 HydrophobicContact CE2-CD1 3.62Å; F45-I176 HydrophobicContact CE2-CG2 4.19Å; F45-I176 HydrophobicContact CZ-CD1 3.34Å; I176-F202 HydrophobicContact CG2-CD1 3.99Å; I176-H203 CarbonylContact C-O 3.57Å; I176-H203 WeakPolarHBondContact CA-O 3.38Å; I176-V204 HydrophobicContact CG1-CG2 4.34Å; I176-V204 HydrophobicContact CG2-CG2 4.33Å; I176-K234 VanDerWaalsContact N-NZ 3.17Å; I176-K234 PolarHBondContact O-NZ 3.14Å
177T97.9Very high88.3Confident7 Ų726.2 Ų26.24%0.04316%0.158CC..EExtended strand (participates in β ladder)trans-105.7117.3173.5-58.70000109.5N35 F202 H203 K234 L238N35-T177 VanDerWaalsContact OD1-CA 3.25Å; N35-T177 WeakPolarHBondContact OD1-CA 3.31Å; T177-F202 CarbonylContact O-C 3.52Å; T177-F202 WeakPolarHBondContact O-CA 3.25Å; T177-H203 PolarHBondContact N-O 2.92Å; T177-H203 PolarHBondContact O-N 3.17Å; T177-K234 WeakPolarHBondContact OG1-CG 3.25Å; T177-K234 PolarHBondContact OG1-NZ 2.94Å; T177-L238 HydrophobicContact CG2-CD1 4.17Å; T177-L238 HydrophobicContact CG2-CD2 3.61Å; T177-L238 HydrophobicContact CG2-CG 3.66Å
178V96.4Very high89.1Confident2 Ų226.4 Ų26.41%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-97.8134.6172.266.10000111M34 N35 Y180 V200 H201 F202M34-V178 HydrophobicContact CG-CG1 4.35Å; N35-V178 PolarHBondContact ND2-O 2.84Å; N35-V178 PolarHBondContact OD1-N 3.35Å; V178-Y180 HydrophobicContact CG1-CE2 4.38Å; V178-Y180 HydrophobicContact CG2-CD2 4.23Å; V178-Y180 HydrophobicContact CG2-CE2 3.54Å; V178-V200 HydrophobicContact CG2-CG1 3.8Å; V178-H201 CarbonylContact C-O 3.59Å; V178-H201 WeakPolarHBondContact CA-O 3.33Å; V178-F202 HydrophobicContact CB-CD1 3.82Å; V178-F202 HydrophobicContact CB-CE1 3.63Å; V178-F202 HydrophobicContact CB-CZ 4.43Å; V178-F202 HydrophobicContact CG2-CD1 3.85Å; V178-F202 HydrophobicContact CG2-CE1 3.36Å; V178-F202 HydrophobicContact CG2-CE2 4.4Å; V178-F202 HydrophobicContact CG2-CZ 3.67Å
179A94.6Very high90Very high6 Ų626.1 Ų26.15%0.0514%0.143CC..EExtended strand (participates in β ladder)trans-133.8140.3176.100000111.6H201 L238 F241 F242A179-H201 HydrophobicContact CB-CB 4.48Å; A179-H201 PolarHBondContact N-O 2.72Å; A179-H201 PolarHBondContact O-N 2.84Å; A179-L238 HydrophobicContact CB-CD2 3.65Å; A179-F241 HydrophobicContact CB-CD1 3.82Å; A179-F241 HydrophobicContact CB-CE1 3.61Å; A179-F241 HydrophobicContact CB-CG 4.38Å; A179-F241 HydrophobicContact CB-CZ 4Å; A179-F242 HydrophobicContact CB-CZ 4.42Å
180Y92.5Very high90Very high5 Ų529 Ų292%0.0216%0.156CC..  trans-116.597.6176.7-65.4-98.7000107.7R37 T38 D41 F44 V178 D182 P197 V200R37-Y180 HydrophobicContact CB-CD2 3.8Å; R37-Y180 HydrophobicContact CB-CE2 3.69Å; R37-Y180 HydrophobicContact CG-CD2 3.69Å; R37-Y180 HydrophobicContact CG-CE2 4.07Å; T38-Y180 HydrophobicContact CG2-CE2 4.18Å; T38-Y180 PolarHBondContact OG1-OH 3.4Å; D41-Y180 WeakPolarHBondContact CA-OH 3.47Å; D41-Y180 VanDerWaalsContact OD1-CE2 3.25Å; D41-Y180 WeakPolarHBondContact OD1-CE2 3.29Å; D41-Y180 VanDerWaalsContact OD1-CZ 3.26Å; D41-Y180 PolarHBondContact OD1-OH 3.45Å; F44-Y180 AromaticContact CD2-CE1 3.88Å; F44-Y180 HydrophobicContact CD2-CE1 3.88Å; F44-Y180 WeakPolarHBondContact CD2-OH 3.09Å; F44-Y180 AromaticContact CE2-CE1 3.97Å; F44-Y180 HydrophobicContact CE2-CE1 3.97Å; V178-Y180 HydrophobicContact CG1-CE2 4.38Å; V178-Y180 HydrophobicContact CG2-CD2 4.23Å; V178-Y180 HydrophobicContact CG2-CE2 3.54Å; Y180-D182 PolarHBondContact O-N 2.97Å; Y180-P197 HydrophobicContact CD1-CB 4.23Å; Y180-P197 HydrophobicContact CD1-CG 4.27Å; Y180-P197 HydrophobicContact CE1-CG 4.31Å; Y180-V200 HydrophobicContact CD1-CB 4.44Å; Y180-V200 HydrophobicContact CD1-CG1 4.07Å; Y180-V200 HydrophobicContact CD1-CG2 3.76Å; Y180-V200 HydrophobicContact CE1-CB 4.2Å; Y180-V200 HydrophobicContact CE1-CG1 3.61Å; Y180-V200 HydrophobicContact CE1-CG2 3.5Å; Y180-V200 HydrophobicContact CE2-CG1 4.27Å
181P87.7Confident89.5Confident38 Ų3829.2 Ų29.225%0.24716%0.157CC..SBendtrans-74.8-12.2-176.428.8-34000113.8E199 F241P181-E199 WeakPolarHBondContact CD-O 3.38Å; P181-E199 HydrophobicContact CG-CG 3.36Å; P181-E199 WeakPolarHBondContact CG-OE1 3.37Å; P181-F241 HydrophobicContact CB-CE1 3.87Å; P181-F241 HydrophobicContact CB-CZ 4.01Å; P181-F241 HydrophobicContact CG-CE1 4.42Å; P181-F241 HydrophobicContact CG-CZ 4.17Å
182D84.1Confident88.7Confident50 Ų5032.9 Ų32.927%0.26718%0.175SC..SBendtrans-129.2-136.7179.573.2-23000111.2Y180 I184 K198Y180-D182 PolarHBondContact O-N 2.97Å; D182-I184 WeakPolarHBondContact O-CG1 3.36Å; D182-I184 PolarHBondContact O-N 3.26Å; D182-K198 PolarHBondContact OD1-N 3.44Å; D182-K198 WeakPolarHBondContact OD2-CA 3.49Å; D182-K198 WeakPolarHBondContact OD2-CB 3.28Å; D182-K198 WeakPolarHBondContact OD2-CG 3.32Å; D182-K198 PolarHBondContact OD2-N 3.31Å
183N80.8Confident88Confident76 Ų7640.2 Ų40.241%0.40621%0.207SC..  trans-61.5121.3-169.9-166.442.8000112.4Q195 P197N183-Q195 PolarHBondContact ND2-O 3.4Å; N183-P197 WeakPolarHBondContact O-CB 3.47Å
184I82.9Confident87Confident55 Ų5543.2 Ų43.228%0.28224%0.237SC..  trans-91.1112.6179.5-53.1-176.7000107.6R37 T38 D182 E186R37-I184 HydrophobicContact CG-CG2 4.26Å; T38-I184 HydrophobicContact CG2-CG2 3.6Å; D182-I184 WeakPolarHBondContact O-CG1 3.36Å; D182-I184 PolarHBondContact O-N 3.26Å; I184-E186 WeakPolarHBondContact CG2-OE1 3.29Å
185V82.9Confident86.2Confident1 Ų147.4 Ų47.41%0.00626%0.257CS..  trans-99.1108.7-178.9-1760000109.1T38 L40 T187 E190 F191 Q195T38-V185 VanDerWaalsContact CB-O 3.28Å; T38-V185 WeakPolarHBondContact CB-O 3.5Å; T38-V185 WeakPolarHBondContact CG2-O 3.46Å; L40-V185 HydrophobicContact CD1-CB 4.36Å; L40-V185 HydrophobicContact CD1-CG1 3.82Å; V185-T187 WeakPolarHBondContact CG1-O 3.42Å; V185-E190 HydrophobicContact CG1-CB 3.75Å; V185-F191 HydrophobicContact CG1-CB 3.86Å; V185-Q195 HydrophobicContact CG2-CB 4.41Å; V185-Q195 WeakPolarHBondContact CG2-O 3.45Å
186E82.8Confident85.4Confident40 Ų4048.3 Ų48.319%0.18726%0.264CS..  trans-82.4-29.3-175.2-70.3-63.7160.700112R37 R39 N121 I184 E190R37-E186 IonicContact NH1-OE1 2.67Å; R37-E186 PolarHBondContact NH1-OE1 3.13Å; R39-E186 WeakPolarHBondContact CB-O 3.16Å; N121-E186 PolarHBondContact ND2-OE2 2.92Å; I184-E186 WeakPolarHBondContact CG2-OE1 3.29Å; E186-E190 PolarHBondContact N-OE2 2.96Å; E186-E190 VanDerWaalsContact N-OE2 3.09Å
187T82.5Confident84.9Confident38 Ų3848.3 Ų48.323%0.23326%0.264CS..SBendtrans-127.7155.6-171.969.70000114.8V185 V189 E190 F191V185-T187 WeakPolarHBondContact CG1-O 3.42Å; T187-V189 PolarHBondContact O-N 2.57Å; T187-E190 PolarHBondContact N-OE2 3.24Å; T187-E190 PolarHBondContact O-N 3.27Å; T187-E190 VanDerWaalsContact OG1-CD 3.25Å; T187-E190 VanDerWaalsContact OG1-CG 3.31Å; T187-E190 WeakPolarHBondContact OG1-CG 3.43Å; T187-E190 PolarHBondContact OG1-N 3.19Å; T187-E190 PolarHBondContact OG1-OE2 3.1Å; T187-F191 PolarHBondContact O-N 2.82Å; T187-F191 VanDerWaalsContact O-N 3.17Å
188E82.6Confident84.3Confident68 Ų6855.7 Ų55.732%0.31830%0.296SS..Hα-helixtrans-60.9-31.5175.4-59.976.1177.900111.8R39 L40 F191 I192R39-E188 IonicContact CZ-OE1 2.95Å; R39-E188 IonicContact CZ-OE2 3.88Å; R39-E188 IonicContact NE-OE1 3.14Å; R39-E188 PolarHBondContact NE-OE1 3.48Å; R39-E188 IonicContact NE-OE2 3.7Å; R39-E188 PolarHBondContact NE-OE2 2.76Å; R39-E188 IonicContact NH1-OE2 2.93Å; R39-E188 IonicContact NH2-OE1 2.68Å; R39-E188 PolarHBondContact NH2-OE1 3.42Å; R39-E188 IonicContact NH2-OE2 2.59Å; R39-E188 PolarHBondContact NH2-OE2 3.14Å; L40-E188 HydrophobicContact CD2-CG 3.88Å; E188-F191 WeakPolarHBondContact O-CB 3.46Å; E188-F191 PolarHBondContact O-N 3.04Å; E188-I192 VanDerWaalsContact O-CG1 3.28Å; E188-I192 WeakPolarHBondContact O-CG1 3.37Å; E188-I192 PolarHBondContact O-N 2.76Å
189V83.2Confident83.9Confident85 Ų8557.8 Ų57.852%0.51531%0.305SS..Hα-helixtrans-71.2-44.5-179.5177.10000111.3T187 F191 I192 K193T187-V189 PolarHBondContact O-N 2.57Å; V189-F191 VanDerWaalsContact C-N 3.27Å; V189-F191 PolarHBondContact O-N 3.3Å; V189-I192 PolarHBondContact O-N 2.84Å; V189-K193 HydrophobicContact CG1-CD 4.24Å; V189-K193 VanDerWaalsContact O-CG 3.32Å; V189-K193 WeakPolarHBondContact O-CG 3.46Å; V189-K193 PolarHBondContact O-N 3.32Å
190E81.9Confident83.7Confident64 Ų6457.5 Ų57.530%0.29930%0.303SS..Hα-helixtrans-60.7-40.8174.2-72.6161.9172.400111.1V185 E186 T187 K193 Q195V185-E190 HydrophobicContact CG1-CB 3.75Å; E186-E190 PolarHBondContact N-OE2 2.96Å; E186-E190 VanDerWaalsContact N-OE2 3.09Å; T187-E190 PolarHBondContact N-OE2 3.24Å; T187-E190 PolarHBondContact O-N 3.27Å; T187-E190 VanDerWaalsContact OG1-CD 3.25Å; T187-E190 VanDerWaalsContact OG1-CG 3.31Å; T187-E190 WeakPolarHBondContact OG1-CG 3.43Å; T187-E190 PolarHBondContact OG1-N 3.19Å; T187-E190 PolarHBondContact OG1-OE2 3.1Å; E190-K193 PolarHBondContact O-N 3.42Å; E190-Q195 VanDerWaalsContact O-CB 3.3Å; E190-Q195 WeakPolarHBondContact O-CB 3.47Å; E190-Q195 PolarHBondContact O-N 3.41Å
191F82.6Confident83.7Confident15 Ų1557.8 Ų57.87%0.06631%0.305CS..Hα-helixtrans-59.1-49174.9179.6-98.9000112.1L9 C13 L40 M43 F44 V185 T187 E188 V189 K193 G194 A196L9-F191 HydrophobicContact CD2-CE1 4.31Å; L9-F191 HydrophobicContact CD2-CE2 3.28Å; L9-F191 HydrophobicContact CD2-CZ 3.16Å; L9-F191 HydrophobicContact CG-CZ 4.01Å; C13-F191 HydrophobicContact CB-CZ 4.45Å; C13-F191 VanDerWaalsContact SG-CZ 3.56Å; L40-F191 HydrophobicContact CD1-CB 3.73Å; L40-F191 HydrophobicContact CD1-CD2 4.31Å; L40-F191 HydrophobicContact CD1-CG 4.12Å; M43-F191 HydrophobicContact CE-CD2 4.24Å; M43-F191 HydrophobicContact CE-CE1 4.44Å; M43-F191 HydrophobicContact CE-CE2 4.03Å; M43-F191 HydrophobicContact CE-CZ 4.16Å; F44-F191 HydrophobicContact CZ-CE2 4.46Å; V185-F191 HydrophobicContact CG1-CB 3.86Å; T187-F191 PolarHBondContact O-N 2.82Å; T187-F191 VanDerWaalsContact O-N 3.17Å; E188-F191 WeakPolarHBondContact O-CB 3.46Å; E188-F191 PolarHBondContact O-N 3.04Å; V189-F191 VanDerWaalsContact C-N 3.27Å; V189-F191 PolarHBondContact O-N 3.3Å; F191-K193 VanDerWaalsContact C-N 3.26Å; F191-K193 PolarHBondContact O-N 2.82Å; F191-G194 PolarHBondContact O-N 3.18Å; F191-A196 HydrophobicContact CD2-CB 3.9Å; F191-A196 HydrophobicContact CE2-CB 3.6Å
192I77.3Confident84.1Confident141 Ų14156 Ų5672%0.72329%0.293SS*.Hα-helixtrans-64.2-31.7178.4-69.1165.3000111.8E188 V189 G194E188-I192 VanDerWaalsContact O-CG1 3.28Å; E188-I192 WeakPolarHBondContact O-CG1 3.37Å; E188-I192 PolarHBondContact O-N 2.76Å; V189-I192 PolarHBondContact O-N 2.84Å; I192-G194 PolarHBondContact O-N 3.38Å
193K81.9Confident84.6Confident154 Ų15456 Ų5667%0.6729%0.291SS*.THydrogen-bonded Turntrans-69.96.1173.1-72.8174.7178.4-179.30113.7V189 E190 F191V189-K193 HydrophobicContact CG1-CD 4.24Å; V189-K193 VanDerWaalsContact O-CG 3.32Å; V189-K193 WeakPolarHBondContact O-CG 3.46Å; V189-K193 PolarHBondContact O-N 3.32Å; E190-K193 PolarHBondContact O-N 3.42Å; F191-K193 VanDerWaalsContact C-N 3.26Å; F191-K193 PolarHBondContact O-N 2.82Å
194G76.8Confident85.3Confident62 Ų6252.4 Ų52.464%0.63927%0.272SS*.THydrogen-bonded Turntrans84.711.8175.200000114F191 I192 A196F191-G194 PolarHBondContact O-N 3.18Å; I192-G194 PolarHBondContact O-N 3.38Å; G194-A196 PolarHBondContact O-N 3.12Å; G194-A196 VanDerWaalsContact O-N 3.15Å
195Q81.3Confident85.9Confident89 Ų8952.8 Ų52.842%0.41627%0.272SS..  trans-81.719.2-179.1-56.6-174.4900113.1N183 V185 E190N183-Q195 PolarHBondContact ND2-O 3.4Å; V185-Q195 HydrophobicContact CG2-CB 4.41Å; V185-Q195 WeakPolarHBondContact CG2-O 3.45Å; E190-Q195 VanDerWaalsContact O-CB 3.3Å; E190-Q195 WeakPolarHBondContact O-CB 3.47Å; E190-Q195 PolarHBondContact O-N 3.41Å
196A82.8Confident86.6Confident18 Ų1855.2 Ų55.215%0.14928%0.282CS..  trans-54142.7-175.100000112.9C13 V15 F191 G194C13-A196 HydrophobicContact CB-CB 3.92Å; V15-A196 HydrophobicContact CG2-CB 3.82Å; F191-A196 HydrophobicContact CD2-CB 3.9Å; F191-A196 HydrophobicContact CE2-CB 3.6Å; G194-A196 PolarHBondContact O-N 3.12Å; G194-A196 VanDerWaalsContact O-N 3.15Å
197P87.6Confident87.3Confident0 Ų054.8 Ų54.80%028%0.279CS..  trans-60.5143.717325.5-32.8000109.9V15 F44 Y180 N183 E199 V200V15-P197 HydrophobicContact CG1-CG 4.27Å; V15-P197 WeakPolarHBondContact CG1-O 3.33Å; V15-P197 WeakPolarHBondContact CG2-O 3.32Å; F44-P197 HydrophobicContact CE1-CG 3.8Å; F44-P197 HydrophobicContact CE2-CG 4.14Å; F44-P197 HydrophobicContact CZ-CG 3.5Å; Y180-P197 HydrophobicContact CD1-CB 4.23Å; Y180-P197 HydrophobicContact CD1-CG 4.27Å; Y180-P197 HydrophobicContact CE1-CG 4.31Å; N183-P197 WeakPolarHBondContact O-CB 3.47Å; P197-E199 VanDerWaalsContact C-N 3.34Å; P197-V200 HydrophobicContact CB-CG2 4.06Å; P197-V200 HydrophobicContact CG-CG2 3.66Å
198K85.2Confident87.9Confident163 Ų16353.7 Ų53.771%0.70928%0.275SS*.SBendtrans-73.2-33.6174.5-59.4171.5179.9176.80110.6R16 D182R16-K198 PolarHBondContact N-O 2.99Å; D182-K198 PolarHBondContact OD1-N 3.44Å; D182-K198 WeakPolarHBondContact OD2-CA 3.49Å; D182-K198 WeakPolarHBondContact OD2-CB 3.28Å; D182-K198 WeakPolarHBondContact OD2-CG 3.32Å; D182-K198 PolarHBondContact OD2-N 3.31Å
199E87.5Confident88.3Confident45 Ų4554.6 Ų54.621%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-145.4148.4176.865.2-178.1-151.400113.1R16 P181 P197 H201R16-E199 HydrophobicContact CB-CB 4.17Å; R16-E199 CarbonylContact O-C 3.58Å; R16-E199 WeakPolarHBondContact O-CA 3.29Å; R16-E199 WeakPolarHBondContact O-CB 3.35Å; P181-E199 WeakPolarHBondContact CD-O 3.38Å; P181-E199 HydrophobicContact CG-CG 3.36Å; P181-E199 WeakPolarHBondContact CG-OE1 3.37Å; P197-E199 VanDerWaalsContact C-N 3.34Å; E199-H201 IonicContact OE1-CD2 2.82Å; E199-H201 IonicContact OE1-CE1 3.72Å; E199-H201 IonicContact OE1-NE2 2.61Å; E199-H201 PolarHBondContact OE1-NE2 3.05Å; E199-H201 IonicContact OE2-NE2 3.65Å
200V91.3Very high88.7Confident0 Ų054.6 Ų54.60%030%0.297CS..EExtended strand (participates in β ladder)trans-133.5127176.3-173.90000107.8V15 R16 V17 V18 F44 V178 Y180 P197 F202V15-V200 HydrophobicContact CG1-CG2 4.07Å; R16-V200 PolarHBondContact O-N 2.89Å; V17-V200 CarbonylContact C-O 3.26Å; V17-V200 WeakPolarHBondContact CA-O 3.37Å; V17-V200 HydrophobicContact CG2-CB 4.47Å; V18-V200 PolarHBondContact N-O 2.91Å; F44-V200 HydrophobicContact CB-CB 4.39Å; F44-V200 HydrophobicContact CB-CG1 4.1Å; F44-V200 HydrophobicContact CB-CG2 4.32Å; F44-V200 HydrophobicContact CD1-CG2 3.87Å; F44-V200 HydrophobicContact CD2-CG2 4.31Å; F44-V200 HydrophobicContact CE1-CG2 4.23Å; F44-V200 HydrophobicContact CG-CG1 4.46Å; F44-V200 HydrophobicContact CG-CG2 3.91Å; V178-V200 HydrophobicContact CG2-CG1 3.8Å; Y180-V200 HydrophobicContact CD1-CB 4.44Å; Y180-V200 HydrophobicContact CD1-CG1 4.07Å; Y180-V200 HydrophobicContact CD1-CG2 3.76Å; Y180-V200 HydrophobicContact CE1-CB 4.2Å; Y180-V200 HydrophobicContact CE1-CG1 3.61Å; Y180-V200 HydrophobicContact CE1-CG2 3.5Å; Y180-V200 HydrophobicContact CE2-CG1 4.27Å; P197-V200 HydrophobicContact CB-CG2 4.06Å; P197-V200 HydrophobicContact CG-CG2 3.66Å; V200-F202 HydrophobicContact CB-CE2 4.36Å; V200-F202 HydrophobicContact CG1-CD2 4.37Å; V200-F202 HydrophobicContact CG1-CE2 3.63Å; V200-F202 HydrophobicContact CG1-CZ 3.9Å
201H92.6Very high89.3Confident12 Ų1254 Ų546%0.05630%0.298CS..EExtended strand (participates in β ladder)trans-108.6132.2-174.7-68.4-112.2000110.4V18 V178 A179 E199 F241 H253V18-H201 CarbonylContact O-C 3.55Å; V18-H201 WeakPolarHBondContact O-CA 3.26Å; V178-H201 CarbonylContact C-O 3.59Å; V178-H201 WeakPolarHBondContact CA-O 3.33Å; A179-H201 HydrophobicContact CB-CB 4.48Å; A179-H201 PolarHBondContact N-O 2.72Å; A179-H201 PolarHBondContact O-N 2.84Å; E199-H201 IonicContact OE1-CD2 2.82Å; E199-H201 IonicContact OE1-CE1 3.72Å; E199-H201 IonicContact OE1-NE2 2.61Å; E199-H201 PolarHBondContact OE1-NE2 3.05Å; E199-H201 IonicContact OE2-NE2 3.65Å; H201-F241 HydrophobicContact CB-CE2 3.9Å; H201-F241 HydrophobicContact CB-CZ 3.99Å; H201-F241 AromaticContact CD2-CZ 3.71Å; H201-F241 AromaticContact CG-CE2 3.68Å; H201-F241 AromaticContact CG-CZ 3.7Å; H201-F241 AromaticContact ND1-CE2 3.72Å; H201-H253 AromaticContact CE1-CE1 3.49Å; H201-H253 PolarHBondContact CE1-CE1 2.84Å; H201-H253 VanDerWaalsContact CE1-CE1 3.49Å; H201-H253 AromaticContact CE1-NE2 3.57Å; H201-H253 AromaticContact ND1-CE1 3.37Å; H201-H253 PolarHBondContact ND1-CE1 3.45Å; H201-H253 AromaticContact ND1-NE2 3.93Å
202F94.5Very high89.9Confident1 Ų153.5 Ų53.50%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-119.6121.8172.4-64.9-87.6000109.3V17 V18 V19 S20 M34 F44 F45 A48 I176 T177 V178 V200V17-F202 HydrophobicContact CG1-CD2 3.77Å; V17-F202 HydrophobicContact CG1-CE2 3.78Å; V18-F202 PolarHBondContact O-N 3.36Å; V19-F202 CarbonylContact C-O 3.45Å; V19-F202 VanDerWaalsContact CA-O 3.31Å; V19-F202 WeakPolarHBondContact CA-O 3.46Å; V19-F202 HydrophobicContact CG1-CB 4.37Å; S20-F202 PolarHBondContact N-O 3.33Å; M34-F202 HydrophobicContact SD-CD1 4.11Å; M34-F202 HydrophobicContact SD-CE1 3.8Å; F44-F202 HydrophobicContact CB-CE2 4.1Å; F44-F202 HydrophobicContact CB-CZ 3.96Å; F45-F202 HydrophobicContact CB-CE1 3.83Å; F45-F202 HydrophobicContact CB-CZ 3.84Å; F45-F202 AromaticContact CD2-CD1 3.77Å; F45-F202 HydrophobicContact CD2-CD1 3.77Å; F45-F202 AromaticContact CD2-CE1 3.69Å; F45-F202 HydrophobicContact CD2-CE1 3.69Å; F45-F202 HydrophobicContact CD2-CG 4.39Å; F45-F202 HydrophobicContact CD2-CZ 4.25Å; F45-F202 HydrophobicContact CE2-CD1 4.47Å; F45-F202 HydrophobicContact CG-CE1 4.17Å; A48-F202 HydrophobicContact CB-CD2 3.8Å; A48-F202 HydrophobicContact CB-CE2 4.16Å; A48-F202 HydrophobicContact CB-CG 4.25Å; I176-F202 HydrophobicContact CG2-CD1 3.99Å; T177-F202 CarbonylContact O-C 3.52Å; T177-F202 WeakPolarHBondContact O-CA 3.25Å; V178-F202 HydrophobicContact CB-CD1 3.82Å; V178-F202 HydrophobicContact CB-CE1 3.63Å; V178-F202 HydrophobicContact CB-CZ 4.43Å; V178-F202 HydrophobicContact CG2-CD1 3.85Å; V178-F202 HydrophobicContact CG2-CE1 3.36Å; V178-F202 HydrophobicContact CG2-CE2 4.4Å; V178-F202 HydrophobicContact CG2-CZ 3.67Å; V200-F202 HydrophobicContact CB-CE2 4.36Å; V200-F202 HydrophobicContact CG1-CD2 4.37Å; V200-F202 HydrophobicContact CG1-CE2 3.63Å; V200-F202 HydrophobicContact CG1-CZ 3.9Å
203H94.7Very high90.6Very high49 Ų4949.8 Ų49.823%0.22729%0.286CS..EExtended strand (participates in β ladder)trans-105133.5169.2-173.870.7000109.5S20 I176 T177 E205S20-H203 WeakPolarHBondContact O-CA 3.41Å; S20-H203 PolarHBondContact OG-ND1 3.3Å; I176-H203 CarbonylContact C-O 3.57Å; I176-H203 WeakPolarHBondContact CA-O 3.38Å; T177-H203 PolarHBondContact N-O 2.92Å; T177-H203 PolarHBondContact O-N 3.17Å; H203-E205 IonicContact NE2-OE1 2.77Å
204V95.9Very high91.1Very high1 Ų145.5 Ų45.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-125.1131-174.6-178.50000110.7S20 G21 E22 I24 Y52 Y174 D175 I176S20-V204 PolarHBondContact O-N 3.09Å; G21-V204 CarbonylContact C-O 3.6Å; G21-V204 WeakPolarHBondContact CA-O 3.43Å; E22-V204 PolarHBondContact N-O 2.68Å; E22-V204 WeakPolarHBondContact O-CB 3.36Å; I24-V204 HydrophobicContact CG1-CG1 4.05Å; Y52-V204 WeakPolarHBondContact OH-CG2 3.33Å; Y174-V204 HydrophobicContact CD1-CG1 3.62Å; Y174-V204 HydrophobicContact CE1-CG1 4.3Å; Y174-V204 HydrophobicContact CG-CG1 4.4Å; D175-V204 WeakPolarHBondContact O-CA 2.86Å; I176-V204 HydrophobicContact CG1-CG2 4.34Å; I176-V204 HydrophobicContact CG2-CG2 4.33Å
205E96.5Very high92Very high62 Ų6242.7 Ų42.729%0.2925%0.246SC..EExtended strand (participates in β ladder)trans-121.5146.1166.5-66.2-174.7-167.800110.2Y174 D175 H203 R237Y174-E205 CarbonylContact C-O 3.57Å; Y174-E205 WeakPolarHBondContact CA-O 3.28Å; D175-E205 HydrophobicContact CB-CB 4.3Å; D175-E205 PolarHBondContact N-O 2.75Å; D175-E205 PolarHBondContact O-N 2.61Å; H203-E205 IonicContact NE2-OE1 2.77Å; E205-R237 VanDerWaalsContact CD-CZ 3.47Å; E205-R237 IonicContact OE1-CZ 2.71Å; E205-R237 IonicContact OE1-NE 2.63Å; E205-R237 PolarHBondContact OE1-NE 3Å; E205-R237 IonicContact OE1-NH2 2.9Å; E205-R237 PolarHBondContact OE1-NH2 2.84Å; E205-R237 IonicContact OE2-CZ 2.68Å; E205-R237 IonicContact OE2-NH2 3.3Å; E205-R237 PolarHBondContact OE2-NH2 2.84Å
206R97.2Very high92.5Very high52 Ų5240.9 Ų40.920%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-112.2119.2-177.5-169.7-178.9-179.4-80.8-1.8111.2E22 D28 C172 Y174 G208E22-R206 VanDerWaalsContact CD-CB 3.49Å; E22-R206 WeakPolarHBondContact OE2-CA 3.41Å; E22-R206 WeakPolarHBondContact OE2-CB 3.48Å; E22-R206 PolarHBondContact OE2-N 2.71Å; D28-R206 IonicContact OD1-NH2 3.31Å; D28-R206 IonicContact OD2-CZ 2.71Å; D28-R206 VanDerWaalsContact OD2-CZ 3.31Å; D28-R206 IonicContact OD2-NE 3.9Å; D28-R206 PolarHBondContact OD2-NE 3.1Å; D28-R206 IonicContact OD2-NH2 3.22Å; D28-R206 PolarHBondContact OD2-NH2 3.13Å; C172-R206 HydrophobicContact CB-CG 3.92Å; Y174-R206 HydrophobicContact CD1-CB 3.87Å; Y174-R206 HydrophobicContact CD1-CG 3.92Å; Y174-R206 HydrophobicContact CE1-CB 3.66Å; Y174-R206 HydrophobicContact CE1-CG 3.48Å; Y174-R206 VanDerWaalsContact CE1-CG 3.48Å; Y174-R206 PolarHBondContact OH-NE 3.49Å; R206-G208 PolarHBondContact O-N 3.5Å
207Y97.5Very high93Very high32 Ų3245.6 Ų45.613%0.12527%0.273CS..EExtended strand (participates in β ladder)trans-88.497.8166.3-58.1-52.4000109.7C172 I173 D175 V211 W226 V230C172-Y207 CarbonylContact C-O 3.57Å; C172-Y207 WeakPolarHBondContact CA-O 3.46Å; C172-Y207 VanDerWaalsContact CB-O 3.28Å; C172-Y207 WeakPolarHBondContact CB-O 3.31Å; I173-Y207 HydrophobicContact CB-CD2 4.34Å; I173-Y207 HydrophobicContact CG2-CD2 4.23Å; I173-Y207 PolarHBondContact N-O 2.97Å; I173-Y207 WeakPolarHBondContact O-CB 3.41Å; I173-Y207 PolarHBondContact O-N 3.07Å; D175-Y207 HydrophobicContact CB-CD2 4.34Å; D175-Y207 HydrophobicContact CB-CE2 3.63Å; Y207-V211 HydrophobicContact CD1-CG1 4.06Å; Y207-V211 HydrophobicContact CD1-CG2 4.27Å; Y207-V211 HydrophobicContact CG-CG1 4.14Å; Y207-W226 HydrophobicContact CD2-CH2 4.23Å; Y207-W226 AromaticContact CD2-CZ2 3.68Å; Y207-W226 HydrophobicContact CD2-CZ2 3.68Å; Y207-W226 HydrophobicContact CE2-CH2 4.35Å; Y207-W226 AromaticContact CE2-CZ2 3.69Å; Y207-W226 HydrophobicContact CE2-CZ2 3.69Å; Y207-W226 HydrophobicContact CG-CZ2 4.33Å; Y207-V230 HydrophobicContact CE2-CG2 4.09Å
208G95.3Very high93.4Very high15 Ų1548.7 Ų48.716%0.15529%0.287CS..  trans-81.2-168.9179.100000114.4R206 A210 V211 L212R206-G208 PolarHBondContact O-N 3.5Å; G208-A210 VanDerWaalsContact C-N 3.31Å; G208-A210 PolarHBondContact O-N 3.41Å; G208-A210 VanDerWaalsContact O-N 3.15Å; G208-V211 PolarHBondContact O-N 3.39Å; G208-L212 WeakPolarHBondContact O-CG 3.33Å; G208-L212 PolarHBondContact O-N 2.89Å
209S90.5Very high93.9Very high86 Ų8643.4 Ų43.460%0.60127%0.27SS*.Hα-helixtrans-54-37.9-171-46.10000115L212 A213S209-L212 PolarHBondContact O-N 3.44Å; S209-A213 WeakPolarHBondContact O-CB 3.49Å; S209-A213 PolarHBondContact O-N 3.13Å
210A92.1Very high94.4Very high85 Ų8544.7 Ų44.770%0.70228%0.279SS*.Hα-helixtrans-63.9-43.2178.600000112.1G208 A213 S214G208-A210 VanDerWaalsContact C-N 3.31Å; G208-A210 PolarHBondContact O-N 3.41Å; G208-A210 VanDerWaalsContact O-N 3.15Å; A210-A213 PolarHBondContact O-N 3.37Å; A210-S214 PolarHBondContact O-N 3.43Å
211V95.2Very high94.7Very high52 Ų5251.1 Ų51.132%0.31531%0.313SS..Hα-helixtrans-68.1-44.1175.7-1780000109.6Y207 G208 A213 S214 L215Y207-V211 HydrophobicContact CD1-CG1 4.06Å; Y207-V211 HydrophobicContact CD1-CG2 4.27Å; Y207-V211 HydrophobicContact CG-CG1 4.14Å; G208-V211 PolarHBondContact O-N 3.39Å; V211-A213 VanDerWaalsContact C-N 3.3Å; V211-A213 PolarHBondContact O-N 3.34Å; V211-S214 WeakPolarHBondContact O-CB 3.49Å; V211-S214 PolarHBondContact O-N 3.26Å; V211-S214 VanDerWaalsContact O-N 3.08Å; V211-L215 HydrophobicContact CG1-CD1 4.19Å; V211-L215 HydrophobicContact CG1-CG 4.22Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 3.19Å
212L94.6Very high94.9Very high5 Ų555.3 Ų55.33%0.02633%0.333CS..Hα-helixtrans-59.5-39.1177.3-62.4-169.3000112.9L161 I164 L170 I173 G208 S209 S214 L215 A216L161-L212 HydrophobicContact CD2-CB 4.06Å; L161-L212 HydrophobicContact CD2-CD2 4.24Å; I164-L212 HydrophobicContact CD1-CB 4.42Å; I164-L212 HydrophobicContact CD1-CD1 4.07Å; L170-L212 HydrophobicContact CD2-CD1 4.19Å; L170-L212 HydrophobicContact CD2-CD2 4.42Å; L170-L212 HydrophobicContact CG-CD1 4.28Å; I173-L212 HydrophobicContact CB-CD2 4.41Å; I173-L212 HydrophobicContact CD1-CD2 3.66Å; I173-L212 HydrophobicContact CG1-CD2 3.75Å; G208-L212 WeakPolarHBondContact O-CG 3.33Å; G208-L212 PolarHBondContact O-N 2.89Å; S209-L212 PolarHBondContact O-N 3.44Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-S214 PolarHBondContact O-N 3.05Å; L212-L215 HydrophobicContact CD2-CD1 4.38Å; L212-L215 PolarHBondContact O-N 2.75Å; L212-A216 WeakPolarHBondContact O-CB 3.47Å; L212-A216 PolarHBondContact O-N 2.88Å
213A91.5Very high95.1Very high62 Ų6255.4 Ų55.451%0.51233%0.333SS..Hα-helixtrans-62.8-39.5175.300000111.8S209 A210 V211 A216S209-A213 WeakPolarHBondContact O-CB 3.49Å; S209-A213 PolarHBondContact O-N 3.13Å; A210-A213 PolarHBondContact O-N 3.37Å; V211-A213 VanDerWaalsContact C-N 3.3Å; V211-A213 PolarHBondContact O-N 3.34Å; A213-A216 PolarHBondContact O-N 3.46Å
214S93.5Very high95.2Very high65 Ų6553.4 Ų53.446%0.45533%0.325SS..Hα-helixtrans-67.9-38.1173.2-179.20000112.6A210 V211 L212 A216 T217A210-S214 PolarHBondContact O-N 3.43Å; V211-S214 WeakPolarHBondContact O-CB 3.49Å; V211-S214 PolarHBondContact O-N 3.26Å; V211-S214 VanDerWaalsContact O-N 3.08Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-S214 PolarHBondContact O-N 3.05Å; S214-A216 VanDerWaalsContact C-N 3.32Å; S214-T217 PolarHBondContact O-OG1 3.18Å
215L95.4Very high95.3Very high3 Ų354.3 Ų54.32%0.01634%0.335CS..Hα-helixtrans-68.8-32.7176.3-64.6-178.5000111.9L161 I173 V211 L212 T217 K218 L223 W226L161-L215 HydrophobicContact CD1-CB 3.8Å; I173-L215 HydrophobicContact CD1-CD1 4.07Å; V211-L215 HydrophobicContact CG1-CD1 4.19Å; V211-L215 HydrophobicContact CG1-CG 4.22Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 3.19Å; L212-L215 HydrophobicContact CD2-CD1 4.38Å; L212-L215 PolarHBondContact O-N 2.75Å; L215-T217 PolarHBondContact O-N 3.22Å; L215-K218 HydrophobicContact CD2-CD 3.95Å; L215-K218 WeakPolarHBondContact O-CB 3.17Å; L215-K218 PolarHBondContact O-N 2.97Å; L215-L223 HydrophobicContact CB-CD2 3.87Å; L215-L223 HydrophobicContact CD2-CD2 3.88Å; L215-L223 HydrophobicContact CG-CD2 4.36Å; L215-W226 HydrophobicContact CD1-CD2 4.21Å; L215-W226 HydrophobicContact CD1-CE3 4.29Å; L215-W226 HydrophobicContact CD1-CH2 3.88Å; L215-W226 HydrophobicContact CD1-CZ2 3.77Å; L215-W226 HydrophobicContact CD1-CZ3 4.14Å; L215-W226 HydrophobicContact CD2-CB 4.31Å; L215-W226 HydrophobicContact CD2-CD2 3.6Å; L215-W226 HydrophobicContact CD2-CE3 4.15Å; L215-W226 HydrophobicContact CD2-CG 3.65Å; L215-W226 HydrophobicContact CD2-CZ2 4.5Å
216A91.9Very high95.4Very high50 Ų5052.6 Ų52.641%0.41333%0.326SS..Hα-helixtrans-65.5-21.7-179.100000113.7L161 L212 A213 S214L161-A216 HydrophobicContact CB-CB 4.33Å; L212-A216 WeakPolarHBondContact O-CB 3.47Å; L212-A216 PolarHBondContact O-N 2.88Å; A213-A216 PolarHBondContact O-N 3.46Å; S214-A216 VanDerWaalsContact C-N 3.32Å
217T92.4Very high95.5Very high117 Ų11750.2 Ų50.272%0.71832%0.317SS*.THydrogen-bonded Turntrans-91.5-8.5177.762.70000113.6S214 L215S214-T217 PolarHBondContact O-OG1 3.18Å; L215-T217 PolarHBondContact O-N 3.22Å
218K95.2Very high95.5Very high65 Ų6552.4 Ų52.428%0.28333%0.325SS..  trans-80.2144.5-177.4-73.3179-175.5-69.10112.1L215 E222 L223L215-K218 HydrophobicContact CD2-CD 3.95Å; L215-K218 WeakPolarHBondContact O-CB 3.17Å; L215-K218 PolarHBondContact O-N 2.97Å; K218-E222 HydrophobicContact CB-CB 3.79Å; K218-E222 HydrophobicContact CD-CB 4.17Å; K218-E222 HydrophobicContact CG-CB 3.98Å; K218-L223 HydrophobicContact CB-CD2 3.98Å; K218-L223 HydrophobicContact CB-CG 3.83Å; K218-L223 HydrophobicContact CD-CD2 4.22Å
219S96.8Very high95.6Very high52 Ų5257.1 Ų57.136%0.36434%0.343SS..  trans-66.8170.3165.963.50000111.9D221 E222 L223S219-D221 VanDerWaalsContact C-N 3.29Å; S219-D221 PolarHBondContact O-N 3.24Å; S219-E222 WeakPolarHBondContact CB-OE2 3.48Å; S219-E222 PolarHBondContact N-OE2 2.82Å; S219-E222 PolarHBondContact O-N 2.77Å; S219-E222 VanDerWaalsContact OG-CG 3.29Å; S219-E222 WeakPolarHBondContact OG-CG 3.15Å; S219-E222 PolarHBondContact OG-N 3.19Å; S219-E222 PolarHBondContact OG-OE2 3.16Å; S219-L223 WeakPolarHBondContact O-CG 3.43Å; S219-L223 PolarHBondContact O-N 2.9Å
220D97.1Very high96Very high72 Ų7253.1 Ų53.139%0.38532%0.315SS..Hα-helixtrans-62.9-37.1178.8-70.7-24.4000112.2V154 K158 L223 A224V154-D220 HydrophobicContact CG1-CB 4.13Å; K158-D220 WeakPolarHBondContact CD-OD1 3.09Å; K158-D220 WeakPolarHBondContact CE-OD1 3.15Å; K158-D220 IonicContact NZ-OD1 3.1Å; K158-D220 PolarHBondContact NZ-OD1 2.89Å; K158-D220 IonicContact NZ-OD2 3.68Å; K158-D220 PolarHBondContact NZ-OD2 3.19Å; D220-L223 PolarHBondContact O-N 3.26Å; D220-A224 WeakPolarHBondContact O-CB 3.34Å; D220-A224 PolarHBondContact O-N 3.21Å
221D97.5Very high96.3Very high136 Ų13649 Ų4973%0.72728%0.281SS*.Hα-helixtrans-70.5-38.5178.1-67.1-33.6000111.9S219 A224 G225S219-D221 VanDerWaalsContact C-N 3.29Å; S219-D221 PolarHBondContact O-N 3.24Å; D221-A224 WeakPolarHBondContact O-CB 3.01Å; D221-A224 PolarHBondContact O-N 2.8Å; D221-G225 PolarHBondContact O-N 3.15Å
222E98.1Very high96.4Very high99 Ų9951.3 Ų51.346%0.46329%0.288SS..Hα-helixtrans-68.8-37.7174.9-71.9170.5114.600112.3K218 S219 A224 G225 W226K218-E222 HydrophobicContact CB-CB 3.79Å; K218-E222 HydrophobicContact CD-CB 4.17Å; K218-E222 HydrophobicContact CG-CB 3.98Å; S219-E222 WeakPolarHBondContact CB-OE2 3.48Å; S219-E222 PolarHBondContact N-OE2 2.82Å; S219-E222 PolarHBondContact O-N 2.77Å; S219-E222 VanDerWaalsContact OG-CG 3.29Å; S219-E222 WeakPolarHBondContact OG-CG 3.15Å; S219-E222 PolarHBondContact OG-N 3.19Å; S219-E222 PolarHBondContact OG-OE2 3.16Å; E222-A224 VanDerWaalsContact C-N 3.34Å; E222-G225 PolarHBondContact O-N 3.29Å; E222-W226 PolarHBondContact O-N 2.97Å
223L97.8Very high96.6Very high4 Ų454.7 Ų54.72%0.02131%0.306CS..Hα-helixtrans-66.2-37.3172.2-75.9176.5000111.7V154 K158 L215 K218 S219 D220 G225 W226 L227V154-L223 HydrophobicContact CG1-CB 3.79Å; V154-L223 HydrophobicContact CG1-CD1 4.14Å; V154-L223 HydrophobicContact CG2-CB 4.14Å; K158-L223 HydrophobicContact CB-CD1 4.26Å; L215-L223 HydrophobicContact CB-CD2 3.87Å; L215-L223 HydrophobicContact CD2-CD2 3.88Å; L215-L223 HydrophobicContact CG-CD2 4.36Å; K218-L223 HydrophobicContact CB-CD2 3.98Å; K218-L223 HydrophobicContact CB-CG 3.83Å; K218-L223 HydrophobicContact CD-CD2 4.22Å; S219-L223 WeakPolarHBondContact O-CG 3.43Å; S219-L223 PolarHBondContact O-N 2.9Å; D220-L223 PolarHBondContact O-N 3.26Å; L223-G225 VanDerWaalsContact C-N 3.34Å; L223-W226 PolarHBondContact O-N 3.2Å; L223-L227 WeakPolarHBondContact O-CB 3.34Å; L223-L227 PolarHBondContact O-N 3.12Å
224A98Very high96.9Very high6 Ų651.8 Ų51.85%0.0528%0.281CS..Hα-helixtrans-64.4-39.6172.400000111.5T150 V154 D220 D221 E222 L227 R228T150-A224 HydrophobicContact CG2-CB 3.91Å; V154-A224 HydrophobicContact CG2-CB 4.07Å; D220-A224 WeakPolarHBondContact O-CB 3.34Å; D220-A224 PolarHBondContact O-N 3.21Å; D221-A224 WeakPolarHBondContact O-CB 3.01Å; D221-A224 PolarHBondContact O-N 2.8Å; E222-A224 VanDerWaalsContact C-N 3.34Å; A224-L227 PolarHBondContact O-N 3.45Å; A224-R228 WeakPolarHBondContact O-CG 3.41Å; A224-R228 PolarHBondContact O-N 3.48Å; A224-R228 VanDerWaalsContact O-N 3.14Å
225G97.7Very high97.1Very high21 Ų2149 Ų4922%0.21626%0.261CS..Hα-helixtrans-58.8-53.6172.200000112D221 E222 L223 L227 R228 E229D221-G225 PolarHBondContact O-N 3.15Å; E222-G225 PolarHBondContact O-N 3.29Å; L223-G225 VanDerWaalsContact C-N 3.34Å; G225-L227 VanDerWaalsContact C-N 3.3Å; G225-L227 PolarHBondContact O-N 3.4Å; G225-R228 WeakPolarHBondContact O-CB 3.31Å; G225-R228 PolarHBondContact O-N 2.86Å; G225-E229 PolarHBondContact O-N 2.81Å
226W98.1Very high97.2Very high26 Ų2652.9 Ų52.910%0.09828%0.282CS..Hα-helixtrans-55.6-42.1175.7170.977.1000112.6L33 I157 I173 Y207 L215 E222 L223 R228 E229 V230L33-W226 HydrophobicContact CD1-CH2 3.9Å; L33-W226 HydrophobicContact CD1-CZ3 4.15Å; I157-W226 HydrophobicContact CD1-CZ3 4.02Å; I173-W226 HydrophobicContact CD1-CH2 4.17Å; I173-W226 HydrophobicContact CG2-CH2 4.43Å; Y207-W226 HydrophobicContact CD2-CH2 4.23Å; Y207-W226 AromaticContact CD2-CZ2 3.68Å; Y207-W226 HydrophobicContact CD2-CZ2 3.68Å; Y207-W226 HydrophobicContact CE2-CH2 4.35Å; Y207-W226 AromaticContact CE2-CZ2 3.69Å; Y207-W226 HydrophobicContact CE2-CZ2 3.69Å; Y207-W226 HydrophobicContact CG-CZ2 4.33Å; L215-W226 HydrophobicContact CD1-CD2 4.21Å; L215-W226 HydrophobicContact CD1-CE3 4.29Å; L215-W226 HydrophobicContact CD1-CH2 3.88Å; L215-W226 HydrophobicContact CD1-CZ2 3.77Å; L215-W226 HydrophobicContact CD1-CZ3 4.14Å; L215-W226 HydrophobicContact CD2-CB 4.31Å; L215-W226 HydrophobicContact CD2-CD2 3.6Å; L215-W226 HydrophobicContact CD2-CE3 4.15Å; L215-W226 HydrophobicContact CD2-CG 3.65Å; L215-W226 HydrophobicContact CD2-CZ2 4.5Å; E222-W226 PolarHBondContact O-N 2.97Å; L223-W226 PolarHBondContact O-N 3.2Å; W226-R228 VanDerWaalsContact C-N 3.3Å; W226-R228 PolarHBondContact O-N 3.49Å; W226-E229 WeakPolarHBondContact O-CB 3.33Å; W226-E229 PolarHBondContact O-N 2.7Å; W226-V230 HydrophobicContact CD2-CG2 4.13Å; W226-V230 HydrophobicContact CH2-CG2 4.22Å; W226-V230 HydrophobicContact CZ2-CG2 3.7Å; W226-V230 WeakPolarHBondContact O-CG2 3.37Å; W226-V230 PolarHBondContact O-N 3.11Å
227L98.4Very high97.3Very high1 Ų152.4 Ų52.41%0.00527%0.269CS..Hα-helixtrans-63.4-36.4177.8-176.962.7000112.2L33 P117 P148 T150 T153 L223 A224 G225 W231L33-L227 HydrophobicContact CD1-CD1 3.95Å; P117-L227 HydrophobicContact CB-CD2 4.49Å; P148-L227 HydrophobicContact CB-CD2 4.28Å; P148-L227 HydrophobicContact CB-CG 4.31Å; P148-L227 HydrophobicContact CG-CG 4.41Å; T150-L227 HydrophobicContact CG2-CD2 4.24Å; T153-L227 HydrophobicContact CG2-CD1 4.26Å; T153-L227 HydrophobicContact CG2-CD2 3.72Å; L223-L227 WeakPolarHBondContact O-CB 3.34Å; L223-L227 PolarHBondContact O-N 3.12Å; A224-L227 PolarHBondContact O-N 3.45Å; G225-L227 VanDerWaalsContact C-N 3.3Å; G225-L227 PolarHBondContact O-N 3.4Å; L227-W231 HydrophobicContact CD1-CE3 3.8Å; L227-W231 HydrophobicContact CD1-CZ3 3.58Å; L227-W231 HydrophobicContact CG-CE3 4.35Å; L227-W231 PolarHBondContact O-N 3.45Å; L227-W231 VanDerWaalsContact O-N 3.1Å
228R98.1Very high97.5Very high79 Ų7947.1 Ų47.130%0.29824%0.236SC..Hα-helixtrans-70.1-38174.4-68.1-177-163.2116.4-2.4112Y142 P148 T150 A224 G225 W226 V230 W231 E232Y142-R228 PolarHBondContact OH-O 2.9Å; Y142-R228 VanDerWaalsContact OH-O 3.13Å; P148-R228 HydrophobicContact CG-CG 4.3Å; T150-R228 HydrophobicContact CG2-CG 4.49Å; A224-R228 WeakPolarHBondContact O-CG 3.41Å; A224-R228 PolarHBondContact O-N 3.48Å; A224-R228 VanDerWaalsContact O-N 3.14Å; G225-R228 WeakPolarHBondContact O-CB 3.31Å; G225-R228 PolarHBondContact O-N 2.86Å; W226-R228 VanDerWaalsContact C-N 3.3Å; W226-R228 PolarHBondContact O-N 3.49Å; R228-V230 VanDerWaalsContact C-N 3.34Å; R228-W231 WeakPolarHBondContact O-CB 3.32Å; R228-W231 PolarHBondContact O-N 2.87Å; R228-W231 VanDerWaalsContact O-N 3.14Å; R228-E232 PolarHBondContact O-N 3.26Å
229E97.9Very high97.5Very high113 Ų11349.1 Ų49.153%0.52824%0.242SC..Hα-helixtrans-60.8-43.9173-68.5168.1-169.400110.9G225 W226 W231 E232 I233G225-E229 PolarHBondContact O-N 2.81Å; W226-E229 WeakPolarHBondContact O-CB 3.33Å; W226-E229 PolarHBondContact O-N 2.7Å; E229-W231 VanDerWaalsContact C-N 3.28Å; E229-W231 PolarHBondContact O-N 3.43Å; E229-E232 PolarHBondContact O-N 3.19Å; E229-I233 VanDerWaalsContact O-CG1 3.32Å; E229-I233 WeakPolarHBondContact O-CG1 3.35Å; E229-I233 PolarHBondContact O-N 3.2Å
230V98.4Very high97.3Very high2 Ų254 Ų541%0.01225%0.253CS..Hα-helixtrans-56.8-44.7172.8170.90000110.5D175 Y207 W226 R228 I233 K234D175-V230 WeakPolarHBondContact OD1-CG1 3.35Å; Y207-V230 HydrophobicContact CE2-CG2 4.09Å; W226-V230 HydrophobicContact CD2-CG2 4.13Å; W226-V230 HydrophobicContact CH2-CG2 4.22Å; W226-V230 HydrophobicContact CZ2-CG2 3.7Å; W226-V230 WeakPolarHBondContact O-CG2 3.37Å; W226-V230 PolarHBondContact O-N 3.11Å; R228-V230 VanDerWaalsContact C-N 3.34Å; V230-I233 PolarHBondContact O-N 3.37Å; V230-K234 VanDerWaalsContact O-CG 3.31Å; V230-K234 WeakPolarHBondContact O-CG 3.32Å; V230-K234 PolarHBondContact O-N 3.32Å
231W98.2Very high97Very high0 Ų052 Ų520%024%0.24CC..Hα-helixtrans-65.6-38.2177.8-108.7-111000113.5L33 P117 E118 Y142 L145 L146 P148 L227 R228 E229 K234 D235L33-W231 HydrophobicContact CB-CH2 4.37Å; L33-W231 HydrophobicContact CB-CZ3 4.32Å; P117-W231 HydrophobicContact CB-CH2 3.72Å; P117-W231 HydrophobicContact CB-CZ2 3.78Å; P117-W231 HydrophobicContact CB-CZ3 4.31Å; P117-W231 VanDerWaalsContact CD-CH2 3.41Å; P117-W231 HydrophobicContact CG-CH2 3.29Å; P117-W231 HydrophobicContact CG-CZ2 3.83Å; P117-W231 HydrophobicContact CG-CZ3 3.92Å; E118-W231 HydrophobicContact CG-CZ2 4.35Å; Y142-W231 HydrophobicContact CE2-CB 3.98Å; Y142-W231 HydrophobicContact CE2-CG 4.48Å; L145-W231 HydrophobicContact CD1-CG 4.39Å; L145-W231 WeakPolarHBondContact CD1-O 3.21Å; L146-W231 VanDerWaalsContact O-CD1 3.28Å; L146-W231 PolarHBondContact O-NE1 2.73Å; P148-W231 HydrophobicContact CB-CD2 3.85Å; P148-W231 HydrophobicContact CB-CE3 4.3Å; P148-W231 HydrophobicContact CB-CG 4.1Å; P148-W231 HydrophobicContact CG-CB 4.06Å; P148-W231 HydrophobicContact CG-CD2 3.93Å; P148-W231 HydrophobicContact CG-CE3 4.44Å; P148-W231 HydrophobicContact CG-CG 3.71Å; L227-W231 HydrophobicContact CD1-CE3 3.8Å; L227-W231 HydrophobicContact CD1-CZ3 3.58Å; L227-W231 HydrophobicContact CG-CE3 4.35Å; L227-W231 PolarHBondContact O-N 3.45Å; L227-W231 VanDerWaalsContact O-N 3.1Å; R228-W231 WeakPolarHBondContact O-CB 3.32Å; R228-W231 PolarHBondContact O-N 2.87Å; R228-W231 VanDerWaalsContact O-N 3.14Å; E229-W231 VanDerWaalsContact C-N 3.28Å; E229-W231 PolarHBondContact O-N 3.43Å; W231-K234 HydrophobicContact CD2-CD 4.32Å; W231-K234 HydrophobicContact CE3-CD 4.3Å; W231-K234 HydrophobicContact CH2-CD 4.49Å; W231-K234 HydrophobicContact CZ3-CD 4.39Å; W231-K234 WeakPolarHBondContact O-CB 3.12Å; W231-K234 PolarHBondContact O-N 3.05Å; W231-D235 PolarHBondContact O-N 3.3Å
232E98.3Very high96.7Very high100 Ų10049.1 Ų49.147%0.46722%0.222SC..Hα-helixtrans-61.9-46.6174.3-176.3175.5-171.700111.1Y142 R228 E229 K234 D235 L236Y142-E232 HydrophobicContact CE1-CB 4Å; R228-E232 PolarHBondContact O-N 3.26Å; E229-E232 PolarHBondContact O-N 3.19Å; E232-K234 VanDerWaalsContact C-N 3.31Å; E232-K234 PolarHBondContact O-N 2.94Å; E232-D235 PolarHBondContact O-N 3.11Å; E232-L236 WeakPolarHBondContact O-CG 3.27Å; E232-L236 PolarHBondContact O-N 2.63Å
233I98.1Very high96.3Very high76 Ų7649.3 Ų49.339%0.3923%0.23SC..Hα-helixtrans-61.5-41.8176.1-61.6165.1000110.3E229 V230 D235 L236 R237E229-I233 VanDerWaalsContact O-CG1 3.32Å; E229-I233 WeakPolarHBondContact O-CG1 3.35Å; E229-I233 PolarHBondContact O-N 3.2Å; V230-I233 PolarHBondContact O-N 3.37Å; I233-D235 VanDerWaalsContact C-N 3.35Å; I233-D235 PolarHBondContact O-N 2.93Å; I233-L236 PolarHBondContact O-N 2.77Å; I233-R237 WeakPolarHBondContact O-CG 3.32Å; I233-R237 PolarHBondContact O-N 3.46Å
234K98Very high95.8Very high0 Ų050.9 Ų50.90%024%0.237CC..Hα-helixtrans-60-43.3175-72.6-173.8177.1-53.80112.5L145 D175 I176 T177 V230 W231 E232 L236 R237 L238L145-K234 HydrophobicContact CD1-CB 3.53Å; L145-K234 HydrophobicContact CD1-CD 4.4Å; D175-K234 WeakPolarHBondContact OD1-CE 3.27Å; D175-K234 IonicContact OD1-NZ 2.74Å; D175-K234 PolarHBondContact OD1-NZ 3.12Å; D175-K234 IonicContact OD2-NZ 3.83Å; D175-K234 PolarHBondContact OD2-NZ 2.82Å; I176-K234 VanDerWaalsContact N-NZ 3.17Å; I176-K234 PolarHBondContact O-NZ 3.14Å; T177-K234 WeakPolarHBondContact OG1-CG 3.25Å; T177-K234 PolarHBondContact OG1-NZ 2.94Å; V230-K234 VanDerWaalsContact O-CG 3.31Å; V230-K234 WeakPolarHBondContact O-CG 3.32Å; V230-K234 PolarHBondContact O-N 3.32Å; W231-K234 HydrophobicContact CD2-CD 4.32Å; W231-K234 HydrophobicContact CE3-CD 4.3Å; W231-K234 HydrophobicContact CH2-CD 4.49Å; W231-K234 HydrophobicContact CZ3-CD 4.39Å; W231-K234 WeakPolarHBondContact O-CB 3.12Å; W231-K234 PolarHBondContact O-N 3.05Å; E232-K234 VanDerWaalsContact C-N 3.31Å; E232-K234 PolarHBondContact O-N 2.94Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-R237 WeakPolarHBondContact O-CB 2.87Å; K234-R237 PolarHBondContact O-N 3.37Å; K234-L238 WeakPolarHBondContact O-CG 3.47Å; K234-L238 PolarHBondContact O-N 2.75Å
235D98.1Very high94.8Very high6 Ų653.9 Ų53.93%0.03226%0.258CS..Hα-helixtrans-63.4-42.3179-165.762.2000110.8Y142 D143 Y144 L145 W231 E232 I233 R237 L238 R239Y142-D235 HydrophobicContact CD1-CB 4.08Å; Y142-D235 HydrophobicContact CG-CB 4.33Å; D143-D235 PolarHBondContact N-OD1 2.99Å; D143-D235 PolarHBondContact N-OD2 2.98Å; Y144-D235 WeakPolarHBondContact CA-OD1 3.39Å; Y144-D235 WeakPolarHBondContact CB-OD1 3.47Å; Y144-D235 PolarHBondContact N-OD1 2.87Å; L145-D235 HydrophobicContact CD1-CB 4.03Å; L145-D235 HydrophobicContact CG-CB 4.42Å; L145-D235 PolarHBondContact N-OD1 2.83Å; W231-D235 PolarHBondContact O-N 3.3Å; E232-D235 PolarHBondContact O-N 3.11Å; I233-D235 VanDerWaalsContact C-N 3.35Å; I233-D235 PolarHBondContact O-N 2.93Å; D235-R237 PolarHBondContact O-N 2.79Å; D235-L238 PolarHBondContact O-N 2.99Å; D235-R239 WeakPolarHBondContact O-CB 3.28Å; D235-R239 PolarHBondContact O-N 2.9Å
236L97Very high93.7Very high85 Ų8560.8 Ų60.845%0.44528%0.282SS..Hα-helixtrans-62.3-40.1173.4-67.3174.5000112.3E232 I233 K234 L238 R239 R240E232-L236 WeakPolarHBondContact O-CG 3.27Å; E232-L236 PolarHBondContact O-N 2.63Å; I233-L236 PolarHBondContact O-N 2.77Å; K234-L236 VanDerWaalsContact C-N 3.33Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-R239 PolarHBondContact O-N 2.88Å; L236-R240 VanDerWaalsContact O-CB 3.32Å; L236-R240 WeakPolarHBondContact O-CB 3.39Å; L236-R240 PolarHBondContact O-N 2.91Å
237R94.7Very high92.2Very high41 Ų4167.2 Ų67.216%0.15531%0.312CS..Hα-helixtrans-61.4-42.3173.4-70.4-173.5-1571138.6111.3D175 E205 I233 K234 D235 F241D175-R237 IonicContact OD2-CZ 2.98Å; D175-R237 IonicContact OD2-NH1 3.2Å; D175-R237 PolarHBondContact OD2-NH1 3.09Å; D175-R237 IonicContact OD2-NH2 3.7Å; E205-R237 VanDerWaalsContact CD-CZ 3.47Å; E205-R237 IonicContact OE1-CZ 2.71Å; E205-R237 IonicContact OE1-NE 2.63Å; E205-R237 PolarHBondContact OE1-NE 3Å; E205-R237 IonicContact OE1-NH2 2.9Å; E205-R237 PolarHBondContact OE1-NH2 2.84Å; E205-R237 IonicContact OE2-CZ 2.68Å; E205-R237 IonicContact OE2-NH2 3.3Å; E205-R237 PolarHBondContact OE2-NH2 2.84Å; I233-R237 WeakPolarHBondContact O-CG 3.32Å; I233-R237 PolarHBondContact O-N 3.46Å; K234-R237 WeakPolarHBondContact O-CB 2.87Å; K234-R237 PolarHBondContact O-N 3.37Å; D235-R237 PolarHBondContact O-N 2.79Å; R237-F241 VanDerWaalsContact O-CB 3.29Å; R237-F241 WeakPolarHBondContact O-CB 3.36Å; R237-F241 PolarHBondContact O-N 3.35Å
238L95.9Very high90.8Very high5 Ų571.9 Ų71.93%0.02634%0.336CS..Hα-helixtrans-66.6-46.4177-72.4171000111.5Y144 L145 T177 A179 K234 D235 L236 R240 F241 F242Y144-L238 HydrophobicContact CD2-CB 4.05Å; Y144-L238 HydrophobicContact CG-CB 3.89Å; L145-L238 HydrophobicContact CD1-CD1 4.26Å; L145-L238 HydrophobicContact CD2-CD1 3.46Å; L145-L238 VanDerWaalsContact CD2-CD1 3.46Å; L145-L238 HydrophobicContact CG-CD1 3.78Å; T177-L238 HydrophobicContact CG2-CD1 4.17Å; T177-L238 HydrophobicContact CG2-CD2 3.61Å; T177-L238 HydrophobicContact CG2-CG 3.66Å; A179-L238 HydrophobicContact CB-CD2 3.65Å; K234-L238 WeakPolarHBondContact O-CG 3.47Å; K234-L238 PolarHBondContact O-N 2.75Å; D235-L238 PolarHBondContact O-N 2.99Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 PolarHBondContact O-N 2.81Å; L238-F241 WeakPolarHBondContact O-CB 3.43Å; L238-F241 PolarHBondContact O-N 2.84Å; L238-F241 VanDerWaalsContact O-N 3.12Å; L238-F242 HydrophobicContact CB-CD2 4.43Å; L238-F242 HydrophobicContact CB-CE2 4.37Å; L238-F242 HydrophobicContact CD2-CE2 4.15Å; L238-F242 WeakPolarHBondContact O-CD2 3.47Å; L238-F242 PolarHBondContact O-N 2.68Å
239R94.9Very high89.5Confident107 Ų10769.5 Ų69.540%0.40433%0.327SS..Hα-helixtrans-54-51.8174.8-172.1-175.3-75.9171-0.3110.6D143 Y144 D235 L236 F241 F242 T243D143-R239 IonicContact OD1-NH2 2.92Å; D143-R239 IonicContact OD2-CZ 3.94Å; D143-R239 IonicContact OD2-NE 3.01Å; D143-R239 PolarHBondContact OD2-NE 3.36Å; D143-R239 IonicContact OD2-NH2 3.31Å; D143-R239 PolarHBondContact OD2-NH2 2.83Å; Y144-R239 HydrophobicContact CD2-CB 4.18Å; Y144-R239 HydrophobicContact CE2-CB 3.64Å; Y144-R239 HydrophobicContact CE2-CG 4.03Å; D235-R239 WeakPolarHBondContact O-CB 3.28Å; D235-R239 PolarHBondContact O-N 2.9Å; L236-R239 PolarHBondContact O-N 2.88Å; R239-F241 PolarHBondContact O-N 3.28Å; R239-F242 PolarHBondContact O-N 3.42Å; R239-T243 WeakPolarHBondContact O-CG2 3.31Å; R239-T243 PolarHBondContact O-N 2.96Å; R239-T243 PolarHBondContact O-OG1 3.06Å
240R92.7Very high87.8Confident154 Ų15466.5 Ų66.558%0.58132%0.321SS*.Hα-helixtrans-56.2-49.2175.9-178.8177.8170.2-170.8-5.9111.5L236 L238 F242 T243 E244L236-R240 VanDerWaalsContact O-CB 3.32Å; L236-R240 WeakPolarHBondContact O-CB 3.39Å; L236-R240 PolarHBondContact O-N 2.91Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 PolarHBondContact O-N 2.81Å; R240-F242 VanDerWaalsContact C-N 3.33Å; R240-F242 PolarHBondContact O-N 2.95Å; R240-T243 WeakPolarHBondContact CA-OG1 3.28Å; R240-T243 PolarHBondContact O-N 3.17Å; R240-T243 PolarHBondContact O-OG1 3.48Å; R240-E244 HydrophobicContact CG-CG 4.09Å; R240-E244 WeakPolarHBondContact CG-OE1 3.41Å; R240-E244 IonicContact CZ-OE1 3.24Å; R240-E244 VanDerWaalsContact CZ-OE1 3.24Å; R240-E244 IonicContact NE-OE1 2.67Å; R240-E244 PolarHBondContact NE-OE1 3.37Å; R240-E244 IonicContact NH2-OE1 2.91Å; R240-E244 PolarHBondContact NH2-OE1 3.42Å; R240-E244 WeakPolarHBondContact O-CB 3.47Å; R240-E244 VanDerWaalsContact O-CG 3.31Å; R240-E244 WeakPolarHBondContact O-CG 3.2Å; R240-E244 PolarHBondContact O-N 3.13Å
241F91.7Very high85.8Confident30 Ų3070.5 Ų70.513%0.13236%0.355CS..Hα-helixtrans-56.7-43.7179.8175.3-90.9000112.6A179 P181 H201 R237 L238 R239 R249A179-F241 HydrophobicContact CB-CD1 3.82Å; A179-F241 HydrophobicContact CB-CE1 3.61Å; A179-F241 HydrophobicContact CB-CG 4.38Å; A179-F241 HydrophobicContact CB-CZ 4Å; P181-F241 HydrophobicContact CB-CE1 3.87Å; P181-F241 HydrophobicContact CB-CZ 4.01Å; P181-F241 HydrophobicContact CG-CE1 4.42Å; P181-F241 HydrophobicContact CG-CZ 4.17Å; H201-F241 HydrophobicContact CB-CE2 3.9Å; H201-F241 HydrophobicContact CB-CZ 3.99Å; H201-F241 AromaticContact CD2-CZ 3.71Å; H201-F241 AromaticContact CG-CE2 3.68Å; H201-F241 AromaticContact CG-CZ 3.7Å; H201-F241 AromaticContact ND1-CE2 3.72Å; R237-F241 VanDerWaalsContact O-CB 3.29Å; R237-F241 WeakPolarHBondContact O-CB 3.36Å; R237-F241 PolarHBondContact O-N 3.35Å; L238-F241 WeakPolarHBondContact O-CB 3.43Å; L238-F241 PolarHBondContact O-N 2.84Å; L238-F241 VanDerWaalsContact O-N 3.12Å; R239-F241 PolarHBondContact O-N 3.28Å; F241-R249 VanDerWaalsContact CD2-CD 3.47Å; F241-R249 HydrophobicContact CD2-CG 4.19Å; F241-R249 HydrophobicContact CE2-CG 4.24Å; F241-R249 WeakPolarHBondContact O-CD 3.29Å; F241-R249 PolarHBondContact O-NH1 3.23Å
242F91.4Very high84Confident76 Ų7674.3 Ų74.333%0.33338%0.378SS..Hα-helixtrans-77.9-25.8-179.8-71-67.9000113.5Y144 A179 L238 R239 R240Y144-F242 AromaticContact CD1-CD2 3.53Å; Y144-F242 HydrophobicContact CD1-CD2 3.53Å; Y144-F242 AromaticContact CD1-CE2 3.63Å; Y144-F242 HydrophobicContact CD1-CE2 3.63Å; Y144-F242 HydrophobicContact CE1-CB 4.17Å; Y144-F242 AromaticContact CE1-CD2 3.26Å; Y144-F242 HydrophobicContact CE1-CD2 3.26Å; Y144-F242 AromaticContact CE1-CE2 3.83Å; Y144-F242 HydrophobicContact CE1-CE2 3.83Å; Y144-F242 AromaticContact CE1-CG 3.9Å; Y144-F242 HydrophobicContact CE1-CG 3.9Å; Y144-F242 HydrophobicContact CG-CD2 4.31Å; Y144-F242 HydrophobicContact CG-CE2 4.42Å; Y144-F242 AromaticContact CZ-CD2 3.89Å; A179-F242 HydrophobicContact CB-CZ 4.42Å; L238-F242 HydrophobicContact CB-CD2 4.43Å; L238-F242 HydrophobicContact CB-CE2 4.37Å; L238-F242 HydrophobicContact CD2-CE2 4.15Å; L238-F242 WeakPolarHBondContact O-CD2 3.47Å; L238-F242 PolarHBondContact O-N 2.68Å; R239-F242 PolarHBondContact O-N 3.42Å; R240-F242 VanDerWaalsContact C-N 3.33Å; R240-F242 PolarHBondContact O-N 2.95Å
243T89.6Confident82.3Confident104 Ų10471.2 Ų71.264%0.63836%0.363SS*.Hα-helixtrans-82.5-28.5174.656.10000114.2R239 R240R239-T243 WeakPolarHBondContact O-CG2 3.31Å; R239-T243 PolarHBondContact O-N 2.96Å; R239-T243 PolarHBondContact O-OG1 3.06Å; R240-T243 WeakPolarHBondContact CA-OG1 3.28Å; R240-T243 PolarHBondContact O-N 3.17Å; R240-T243 PolarHBondContact O-OG1 3.48Å
244E86.3Confident80.3Confident37 Ų3770.5 Ų70.517%0.17336%0.364CS..SBendtrans-68.7155.9-178.4-81.6-177.4169.200112.4R240 M248 R249R240-E244 HydrophobicContact CG-CG 4.09Å; R240-E244 WeakPolarHBondContact CG-OE1 3.41Å; R240-E244 IonicContact CZ-OE1 3.24Å; R240-E244 VanDerWaalsContact CZ-OE1 3.24Å; R240-E244 IonicContact NE-OE1 2.67Å; R240-E244 PolarHBondContact NE-OE1 3.37Å; R240-E244 IonicContact NH2-OE1 2.91Å; R240-E244 PolarHBondContact NH2-OE1 3.42Å; R240-E244 WeakPolarHBondContact O-CB 3.47Å; R240-E244 VanDerWaalsContact O-CG 3.31Å; R240-E244 WeakPolarHBondContact O-CG 3.2Å; R240-E244 PolarHBondContact O-N 3.13Å; E244-M248 HydrophobicContact CB-SD 4.43Å; E244-M248 VanDerWaalsContact CD-SD 3.54Å; E244-M248 HydrophobicContact CG-SD 3.77Å; E244-R249 HydrophobicContact CB-CG 4.45Å; E244-R249 PolarHBondContact O-NH1 2.91Å
245S78.2Confident78.4Confident68 Ų6878.4 Ų78.448%0.47640%0.398SS..  trans-70.4151.4173.776.30000111.2H247 M248 R249S245-H247 PolarHBondContact O-N 2.77Å; S245-H247 VanDerWaalsContact O-N 3.14Å; S245-M248 PolarHBondContact O-N 2.83Å; S245-M248 VanDerWaalsContact O-N 3.09Å; S245-M248 PolarHBondContact OG-N 3.43Å; S245-R249 PolarHBondContact O-N 3.42Å; S245-R249 VanDerWaalsContact O-N 3.12Å
246K72.9Confident76.5Confident166 Ų16681.4 Ų81.472%0.72242%0.415SS*.Hα-helixtrans-53.3-34.7175.2-78.5-179.1179-178.90112.7A250K246-A250 PolarHBondContact O-N 3.06Å; K246-A250 VanDerWaalsContact O-N 3.11Å
247H67.9Low75.1Confident161 Ų16182 Ų8275%0.74543%0.426SS*.Hα-helixtrans-69.5-40.5-179.8-168.556.1000112.1S245 A250 A251S245-H247 PolarHBondContact O-N 2.77Å; S245-H247 VanDerWaalsContact O-N 3.14Å; H247-A250 WeakPolarHBondContact O-CB 3.35Å; H247-A250 PolarHBondContact O-N 2.76Å; H247-A251 PolarHBondContact O-N 2.86Å
248M67.7Low73.9Confident100 Ų10081.7 Ų81.749%0.49343%0.425SS..Hα-helixtrans-66.7-41.1177-169.5173.5-72.700111.4E244 S245 A250 A251E244-M248 HydrophobicContact CB-SD 4.43Å; E244-M248 VanDerWaalsContact CD-SD 3.54Å; E244-M248 HydrophobicContact CG-SD 3.77Å; S245-M248 PolarHBondContact O-N 2.83Å; S245-M248 VanDerWaalsContact O-N 3.09Å; S245-M248 PolarHBondContact OG-N 3.43Å; M248-A250 VanDerWaalsContact C-N 3.31Å; M248-A250 PolarHBondContact O-N 3.18Å; M248-A251 PolarHBondContact O-N 3.38Å
249R71.1Confident73Confident28 Ų2884.9 Ų84.911%0.10645%0.445CS..Hα-helixtrans-55.6-48172.1-69.1-163.4-74.5-86.13.5111.4F241 E244 S245 A251 V252 H253F241-R249 VanDerWaalsContact CD2-CD 3.47Å; F241-R249 HydrophobicContact CD2-CG 4.19Å; F241-R249 HydrophobicContact CE2-CG 4.24Å; F241-R249 WeakPolarHBondContact O-CD 3.29Å; F241-R249 PolarHBondContact O-NH1 3.23Å; E244-R249 HydrophobicContact CB-CG 4.45Å; E244-R249 PolarHBondContact O-NH1 2.91Å; S245-R249 PolarHBondContact O-N 3.42Å; S245-R249 VanDerWaalsContact O-N 3.12Å; R249-A251 PolarHBondContact O-N 3.08Å; R249-A251 VanDerWaalsContact O-N 3.11Å; R249-V252 PolarHBondContact O-N 2.96Å; R249-H253 PolarHBondContact O-CD2 3Å; R249-H253 PolarHBondContact O-CE1 3.47Å; R249-H253 PolarHBondContact O-ND1 3.16Å; R249-H253 PolarHBondContact O-NE2 3.42Å
250A63.5Low72.2Confident51 Ų5184.9 Ų84.942%0.42146%0.462SS..Hα-helixtrans-55.6-30.9-177.200000114.1K246 H247 M248 H253K246-A250 PolarHBondContact O-N 3.06Å; K246-A250 VanDerWaalsContact O-N 3.11Å; H247-A250 WeakPolarHBondContact O-CB 3.35Å; H247-A250 PolarHBondContact O-N 2.76Å; M248-A250 VanDerWaalsContact C-N 3.31Å; M248-A250 PolarHBondContact O-N 3.18Å; A250-H253 VanDerWaalsContact C-CD2 3.5Å; A250-H253 WeakPolarHBondContact CA-CD2 3.26Å; A250-H253 WeakPolarHBondContact CA-NE2 3.38Å; A250-H253 PolarHBondContact O-CD2 2.86Å
251A56.1Low71.6Confident86 Ų8684.9 Ų84.971%0.71147%0.466SS*.Hα-helixtrans-75.5-21.8-175.800000114.2H247 M248 R249 H253H247-A251 PolarHBondContact O-N 2.86Å; M248-A251 PolarHBondContact O-N 3.38Å; R249-A251 PolarHBondContact O-N 3.08Å; R249-A251 VanDerWaalsContact O-N 3.11Å; A251-H253 VanDerWaalsContact C-N 3.3Å; A251-H253 PolarHBondContact O-N 3.38Å
252V60.4Low71Confident79 Ų7984.5 Ų84.548%0.47947%0.465SS..THydrogen-bonded Turntrans-85.8-1.2-173.2-174.70000112.5R249R249-V252 PolarHBondContact O-N 2.96Å
253H61.4Low70.4Confident36 Ų3682.1 Ų82.117%0.16746%0.458CS..  trans-88.8130.9-161.8-58.8-37.8000115.2V18 H201 R249 A250 A251V18-H253 HydrophobicContact CG1-CB 3.81Å; V18-H253 VanDerWaalsContact CG1-CE1 3.49Å; V18-H253 WeakPolarHBondContact CG1-CE1 3.4Å; V18-H253 WeakPolarHBondContact CG1-ND1 3.43Å; H201-H253 AromaticContact CE1-CE1 3.49Å; H201-H253 PolarHBondContact CE1-CE1 2.84Å; H201-H253 VanDerWaalsContact CE1-CE1 3.49Å; H201-H253 AromaticContact CE1-NE2 3.57Å; H201-H253 AromaticContact ND1-CE1 3.37Å; H201-H253 PolarHBondContact ND1-CE1 3.45Å; H201-H253 AromaticContact ND1-NE2 3.93Å; R249-H253 PolarHBondContact O-CD2 3Å; R249-H253 PolarHBondContact O-CE1 3.47Å; R249-H253 PolarHBondContact O-ND1 3.16Å; R249-H253 PolarHBondContact O-NE2 3.42Å; A250-H253 VanDerWaalsContact C-CD2 3.5Å; A250-H253 WeakPolarHBondContact CA-CD2 3.26Å; A250-H253 WeakPolarHBondContact CA-NE2 3.38Å; A250-H253 PolarHBondContact O-CD2 2.86Å; A251-H253 VanDerWaalsContact C-N 3.3Å; A251-H253 PolarHBondContact O-N 3.38Å
254C56.4Low70.1Confident60 Ų6079.4 Ų79.441%0.40545%0.446SS..BIsolated β-bridgetrans-89.1119.6168.6-71.80000110V19V19-C254 WeakPolarHBondContact CG2-O 3.41Å; V19-C254 PolarHBondContact O-N 2.81Å
255K58.4Low69.9Low166 Ų16679.5 Ų79.572%0.72245%0.45SS*.  trans51.396.8167.7-79.3178.7172.5174.20116.3K51K51-K255 PolarHBondContact NZ-O 2.97Å
256N59.2Low69.9Low70 Ų7076.3 Ų76.337%0.37443%0.428SS..  trans-76.7-28.1173.6-70.4-50.3000113.9R16 K51R16-N256 PolarHBondContact NE-OD1 3.45Å; R16-N256 PolarHBondContact NH2-ND2 3.14Å; R16-N256 PolarHBondContact NH2-OD1 2.85Å; K51-N256 PolarHBondContact NZ-O 2.9Å
257S66Low70.4Confident97 Ų9772.3 Ų72.368%0.67841%0.413SS*.SBendtrans-107.1146.4-172.549.90000113.7
258F71.3Confident71.2Confident34 Ų3470.2 Ų70.215%0.14941%0.407CS..  trans-73.1151165.3-68.1-70.3000110.1K6 V47 F50 K51 Q262K6-F258 HydrophobicContact CD-CZ 4.32Å; K6-F258 VanDerWaalsContact NZ-CD1 3.27Å; V47-F258 HydrophobicContact CG1-CZ 4.03Å; F50-F258 AromaticContact CD1-CD1 3.98Å; F50-F258 HydrophobicContact CD1-CD1 3.98Å; F50-F258 AromaticContact CD1-CE1 3.69Å; F50-F258 HydrophobicContact CD1-CE1 3.69Å; F50-F258 HydrophobicContact CE1-CD1 4.16Å; F50-F258 HydrophobicContact CE1-CE1 4.31Å; K51-F258 HydrophobicContact CB-CE1 4.01Å; K51-F258 HydrophobicContact CD-CE1 4.18Å; K51-F258 HydrophobicContact CD-CZ 3.95Å; K51-F258 HydrophobicContact CG-CD1 4.04Å; K51-F258 HydrophobicContact CG-CE1 3.08Å; K51-F258 HydrophobicContact CG-CE2 4.43Å; K51-F258 HydrophobicContact CG-CZ 3.29Å; F258-Q262 HydrophobicContact CB-CB 4.01Å; F258-Q262 HydrophobicContact CD1-CB 4.19Å; F258-Q262 HydrophobicContact CG-CB 4.5Å
259T75.9Confident72Confident72 Ų7267.4 Ų67.444%0.44240%0.395SS..  trans-67155.2167.168.70000110.1F261 Q262 S263T259-F261 PolarHBondContact O-N 3.4Å; T259-Q262 WeakPolarHBondContact O-CB 3.48Å; T259-Q262 PolarHBondContact O-N 3.49Å; T259-Q262 VanDerWaalsContact O-N 3.07Å; T259-Q262 WeakPolarHBondContact OG1-CB 3.49Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.49Å; T259-Q262 PolarHBondContact OG1-N 2.9Å; T259-Q262 VanDerWaalsContact OG1-N 3.16Å; T259-S263 PolarHBondContact O-N 3.14Å; T259-S263 PolarHBondContact O-OG 3.1Å
260S78.1Confident72.4Confident108 Ų10866.8 Ų66.876%0.75540%0.396SS*.Hα-helixtrans-55-37.3176.3-51.20000112S263 A264S260-S263 PolarHBondContact O-N 3.42Å; S260-A264 WeakPolarHBondContact O-CB 3.35Å; S260-A264 PolarHBondContact O-N 3.37Å
261F80.5Confident73.6Confident154 Ų15468.9 Ų68.968%0.67540%0.4SS*.Hα-helixtrans-62.5-50.2174.3179.3-102.7000112.4T259 S263 A264 C265T259-F261 PolarHBondContact O-N 3.4Å; F261-S263 VanDerWaalsContact C-N 3.29Å; F261-S263 PolarHBondContact O-N 3.33Å; F261-A264 PolarHBondContact O-N 3.35Å; F261-C265 VanDerWaalsContact CZ-SG 3.57Å; F261-C265 PolarHBondContact O-N 2.78Å; F261-C265 PolarHBondContact O-SG 3.4Å; F261-C265 VanDerWaalsContact O-SG 3.34Å
262Q79Confident75.2Confident22 Ų2270.3 Ų70.310%0.10339%0.391CS..Hα-helixtrans-57-42.9176.4-85.6175.3-25.200111.8F50 K51 F258 T259 L266F50-Q262 HydrophobicContact CE1-CB 3.8Å; F50-Q262 HydrophobicContact CE1-CG 3.95Å; F50-Q262 HydrophobicContact CZ-CB 4.36Å; F50-Q262 HydrophobicContact CZ-CG 4.44Å; F50-Q262 PolarHBondContact O-NE2 3.45Å; F50-Q262 VanDerWaalsContact O-NE2 3.15Å; K51-Q262 PolarHBondContact O-NE2 3.48Å; F258-Q262 HydrophobicContact CB-CB 4.01Å; F258-Q262 HydrophobicContact CD1-CB 4.19Å; F258-Q262 HydrophobicContact CG-CB 4.5Å; T259-Q262 WeakPolarHBondContact O-CB 3.48Å; T259-Q262 PolarHBondContact O-N 3.49Å; T259-Q262 VanDerWaalsContact O-N 3.07Å; T259-Q262 WeakPolarHBondContact OG1-CB 3.49Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.49Å; T259-Q262 PolarHBondContact OG1-N 2.9Å; T259-Q262 VanDerWaalsContact OG1-N 3.16Å; Q262-L266 WeakPolarHBondContact O-CD1 3.33Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.36Å; Q262-L266 PolarHBondContact O-N 2.88Å
263S79.4Confident76.5Confident25 Ų2570.7 Ų70.718%0.17538%0.383CS..Hα-helixtrans-62.5-46.5176.1-62.70000112.3T259 S260 F261 L266 I267T259-S263 PolarHBondContact O-N 3.14Å; T259-S263 PolarHBondContact O-OG 3.1Å; S260-S263 PolarHBondContact O-N 3.42Å; F261-S263 VanDerWaalsContact C-N 3.29Å; F261-S263 PolarHBondContact O-N 3.33Å; S263-L266 WeakPolarHBondContact O-CB 3.05Å; S263-L266 PolarHBondContact O-N 2.92Å; S263-I267 WeakPolarHBondContact O-CG1 3.37Å; S263-I267 PolarHBondContact O-N 3.37Å; S263-I267 VanDerWaalsContact O-N 3.13Å
264A82.5Confident77.7Confident48 Ų4874.2 Ų74.240%0.39740%0.401SS..Hα-helixtrans-61.2-45.6177.400000112.1S260 F261 L266 I267 L268S260-A264 WeakPolarHBondContact O-CB 3.35Å; S260-A264 PolarHBondContact O-N 3.37Å; F261-A264 PolarHBondContact O-N 3.35Å; A264-L266 VanDerWaalsContact C-N 3.26Å; A264-L266 PolarHBondContact O-N 3.49Å; A264-I267 PolarHBondContact O-N 3.33Å; A264-L268 WeakPolarHBondContact O-CG 3.47Å; A264-L268 PolarHBondContact O-N 2.94Å
265C82.6Confident79.4Confident39 Ų3977.2 Ų77.226%0.26441%0.413SS..Hα-helixtrans-56.6-39.8175.9-69.10000112.2F261 L268 V269F261-C265 VanDerWaalsContact CZ-SG 3.57Å; F261-C265 PolarHBondContact O-N 2.78Å; F261-C265 PolarHBondContact O-SG 3.4Å; F261-C265 VanDerWaalsContact O-SG 3.34Å; C265-L268 PolarHBondContact O-N 2.79Å; C265-V269 WeakPolarHBondContact O-CB 3.46Å; C265-V269 WeakPolarHBondContact O-CG2 3.12Å; C265-V269 PolarHBondContact O-N 2.59Å
266L78.6Confident80.8Confident1 Ų170.9 Ų70.91%0.00539%0.388CS..Hα-helixtrans-67.5-41.8178.5-65.3158.7000112.5F3 K6 F50 Q262 S263 A264 L268 V269 A270F3-L266 HydrophobicContact CD1-CD2 4.41Å; K6-L266 HydrophobicContact CB-CD2 4.27Å; K6-L266 HydrophobicContact CD-CD1 3.88Å; K6-L266 HydrophobicContact CD-CD2 3.69Å; K6-L266 HydrophobicContact CD-CG 4.4Å; K6-L266 HydrophobicContact CG-CD1 4.49Å; K6-L266 HydrophobicContact CG-CD2 4.27Å; F50-L266 HydrophobicContact CD1-CD1 4.38Å; F50-L266 HydrophobicContact CD1-CD2 4.22Å; F50-L266 HydrophobicContact CD2-CD2 4.21Å; F50-L266 HydrophobicContact CE1-CD1 3.67Å; F50-L266 HydrophobicContact CE1-CD2 3.73Å; F50-L266 HydrophobicContact CE1-CG 3.66Å; F50-L266 HydrophobicContact CE2-CD2 3.74Å; F50-L266 HydrophobicContact CE2-CG 4.29Å; F50-L266 HydrophobicContact CG-CD2 4.43Å; F50-L266 HydrophobicContact CZ-CD1 4.08Å; F50-L266 HydrophobicContact CZ-CD2 3.47Å; F50-L266 VanDerWaalsContact CZ-CD2 3.47Å; F50-L266 HydrophobicContact CZ-CG 3.52Å; Q262-L266 WeakPolarHBondContact O-CD1 3.33Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.36Å; Q262-L266 PolarHBondContact O-N 2.88Å; S263-L266 WeakPolarHBondContact O-CB 3.05Å; S263-L266 PolarHBondContact O-N 2.92Å; A264-L266 VanDerWaalsContact C-N 3.26Å; A264-L266 PolarHBondContact O-N 3.49Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L266-V269 PolarHBondContact O-N 2.78Å; L266-A270 VanDerWaalsContact O-CB 3.31Å; L266-A270 WeakPolarHBondContact O-CB 3.34Å; L266-A270 PolarHBondContact O-N 2.84Å
267I82.5Confident82.1Confident81 Ų8171.1 Ų71.142%0.41539%0.392SS..Hα-helixtrans-60.8-47.4177.5-66.8168000109.1S263 A264 V269 A270 L271S263-I267 WeakPolarHBondContact O-CG1 3.37Å; S263-I267 PolarHBondContact O-N 3.37Å; S263-I267 VanDerWaalsContact O-N 3.13Å; A264-I267 PolarHBondContact O-N 3.33Å; I267-V269 VanDerWaalsContact C-N 3.34Å; I267-V269 PolarHBondContact O-N 2.93Å; I267-A270 WeakPolarHBondContact O-CB 3.46Å; I267-A270 PolarHBondContact O-N 2.75Å; I267-L271 HydrophobicContact CG2-CD1 4Å; I267-L271 HydrophobicContact CG2-CG 4.39Å; I267-L271 VanDerWaalsContact O-CG 3.3Å; I267-L271 WeakPolarHBondContact O-CG 2.83Å; I267-L271 PolarHBondContact O-N 2.91Å
268L85.8Confident83.2Confident117 Ų11769.7 Ų69.761%0.61338%0.382SS*.Hα-helixtrans-59.5-44177.2-68.6175.5000112.2A264 C265 L266 A270 L271 F272A264-L268 WeakPolarHBondContact O-CG 3.47Å; A264-L268 PolarHBondContact O-N 2.94Å; C265-L268 PolarHBondContact O-N 2.79Å; L266-L268 VanDerWaalsContact C-N 3.32Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-L271 PolarHBondContact O-N 3.48Å; L268-F272 WeakPolarHBondContact O-CB 3.43Å; L268-F272 PolarHBondContact O-N 2.92Å
269V83.1Confident84Confident41 Ų4174.6 Ų74.625%0.24840%0.403CS..Hα-helixtrans-68.8-35.6177.9178.70000111.6F3 C265 L266 I267 F272 W273F3-V269 HydrophobicContact CB-CB 4.01Å; F3-V269 HydrophobicContact CB-CG1 3.17Å; F3-V269 HydrophobicContact CD2-CG1 4.19Å; F3-V269 HydrophobicContact CG-CG1 3.77Å; C265-V269 WeakPolarHBondContact O-CB 3.46Å; C265-V269 WeakPolarHBondContact O-CG2 3.12Å; C265-V269 PolarHBondContact O-N 2.59Å; L266-V269 PolarHBondContact O-N 2.78Å; I267-V269 VanDerWaalsContact C-N 3.34Å; I267-V269 PolarHBondContact O-N 2.93Å; V269-F272 PolarHBondContact O-N 2.85Å; V269-W273 VanDerWaalsContact CG1-CD1 3.49Å; V269-W273 PolarHBondContact O-N 2.97Å
270A80.8Confident84.5Confident15 Ų1576.3 Ų76.312%0.12441%0.405CS..Hα-helixtrans-59.9-50.717300000110.6S7 L266 I267 L268 F272 W273 M274S7-A270 VanDerWaalsContact CB-CB 3.43Å; S7-A270 WeakPolarHBondContact OG-CB 3.39Å; L266-A270 VanDerWaalsContact O-CB 3.31Å; L266-A270 WeakPolarHBondContact O-CB 3.34Å; L266-A270 PolarHBondContact O-N 2.84Å; I267-A270 WeakPolarHBondContact O-CB 3.46Å; I267-A270 PolarHBondContact O-N 2.75Å; L268-A270 VanDerWaalsContact C-N 3.35Å; A270-F272 VanDerWaalsContact C-N 3.33Å; A270-F272 PolarHBondContact O-N 2.9Å; A270-W273 PolarHBondContact O-N 2.88Å; A270-M274 WeakPolarHBondContact O-CB 3.31Å; A270-M274 VanDerWaalsContact O-CG 3.23Å; A270-M274 WeakPolarHBondContact O-CG 3.48Å; A270-M274 PolarHBondContact O-N 3.17Å
271L87.1Confident84.8Confident96 Ų9676 Ų7650%0.50339%0.394SS..Hα-helixtrans-59.6-44.8178-69.5172.7000111I267 L268 W273 M274 L275I267-L271 HydrophobicContact CG2-CD1 4Å; I267-L271 HydrophobicContact CG2-CG 4.39Å; I267-L271 VanDerWaalsContact O-CG 3.3Å; I267-L271 WeakPolarHBondContact O-CG 2.83Å; I267-L271 PolarHBondContact O-N 2.91Å; L268-L271 PolarHBondContact O-N 3.48Å; L271-W273 PolarHBondContact O-N 3.46Å; L271-M274 PolarHBondContact O-N 3.24Å; L271-L275 WeakPolarHBondContact O-CB 3.25Å; L271-L275 VanDerWaalsContact O-CG 3.22Å; L271-L275 WeakPolarHBondContact O-CG 3.41Å; L271-L275 PolarHBondContact O-N 2.79Å
272F90.5Very high85.2Confident116 Ų11674.6 Ų74.651%0.50939%0.385SS..Hα-helixtrans-56.1-50.4175.4171.7-97.3000112L268 V269 A270 L275 T276L268-F272 WeakPolarHBondContact O-CB 3.43Å; L268-F272 PolarHBondContact O-N 2.92Å; V269-F272 PolarHBondContact O-N 2.85Å; A270-F272 VanDerWaalsContact C-N 3.33Å; A270-F272 PolarHBondContact O-N 2.9Å; F272-L275 PolarHBondContact O-N 2.79Å; F272-T276 VanDerWaalsContact O-CB 3.29Å; F272-T276 WeakPolarHBondContact O-CB 3.37Å; F272-T276 PolarHBondContact O-N 2.79Å; F272-T276 PolarHBondContact O-OG1 3.01Å
273W86.9Confident85.5Confident86 Ų8674.1 Ų74.133%0.32639%0.385SS..Hα-helixtrans-68.5-37.4179.4-75.4111.8000112.4M1 C4 V269 A270 L271 T276 V277M1-W273 VanDerWaalsContact N-CE2 3.33Å; M1-W273 VanDerWaalsContact N-CZ2 3.27Å; C4-W273 HydrophobicContact CB-CB 3.9Å; C4-W273 HydrophobicContact CB-CG 4.02Å; V269-W273 VanDerWaalsContact CG1-CD1 3.49Å; V269-W273 PolarHBondContact O-N 2.97Å; A270-W273 PolarHBondContact O-N 2.88Å; L271-W273 PolarHBondContact O-N 3.46Å; W273-T276 PolarHBondContact O-N 2.82Å; W273-V277 WeakPolarHBondContact O-CB 3.44Å; W273-V277 VanDerWaalsContact O-CG2 3.27Å; W273-V277 WeakPolarHBondContact O-CG2 3.09Å; W273-V277 PolarHBondContact O-N 3.02Å
274M87.5Confident85.7Confident111 Ų11177.2 Ų77.255%0.54740%0.399SS..Hα-helixtrans-63.6-44.9175.5-72.4-60.9-64.200111.6A270 L271 V277 S278A270-M274 WeakPolarHBondContact O-CB 3.31Å; A270-M274 VanDerWaalsContact O-CG 3.23Å; A270-M274 WeakPolarHBondContact O-CG 3.48Å; A270-M274 PolarHBondContact O-N 3.17Å; L271-M274 PolarHBondContact O-N 3.24Å; M274-V277 PolarHBondContact O-N 2.87Å; M274-S278 VanDerWaalsContact O-CB 3.28Å; M274-S278 WeakPolarHBondContact O-CB 3.38Å; M274-S278 PolarHBondContact O-N 3.48Å; M274-S278 PolarHBondContact O-OG 3.49Å
275L91.7Very high85.7Confident123 Ų12379.5 Ų79.564%0.64441%0.411SS*.Hα-helixtrans-64.1-42.7175.7-71170.4000111.4L271 F272 S278 F279L271-L275 WeakPolarHBondContact O-CB 3.25Å; L271-L275 VanDerWaalsContact O-CG 3.22Å; L271-L275 WeakPolarHBondContact O-CG 3.41Å; L271-L275 PolarHBondContact O-N 2.79Å; F272-L275 PolarHBondContact O-N 2.79Å; L275-S278 PolarHBondContact O-N 2.86Å; L275-F279 VanDerWaalsContact O-CB 3.26Å; L275-F279 WeakPolarHBondContact O-CB 3.38Å; L275-F279 PolarHBondContact O-N 3.01Å
276T88.4Confident85.9Confident32 Ų3284.4 Ų84.420%0.19643%0.429CS..Hα-helixtrans-61.4-48.7177.3-59.50000111F272 W273 F279 F280F272-T276 VanDerWaalsContact O-CB 3.29Å; F272-T276 WeakPolarHBondContact O-CB 3.37Å; F272-T276 PolarHBondContact O-N 2.79Å; F272-T276 PolarHBondContact O-OG1 3.01Å; W273-T276 PolarHBondContact O-N 2.82Å; T276-F279 PolarHBondContact O-N 3.35Å; T276-F280 HydrophobicContact CG2-CD2 3.69Å; T276-F280 HydrophobicContact CG2-CE2 3.47Å; T276-F280 VanDerWaalsContact CG2-CE2 3.47Å; T276-F280 WeakPolarHBondContact O-CD2 3.49Å; T276-F280 PolarHBondContact O-N 3.05Å
277V87.2Confident86.1Confident76 Ų7689.5 Ų89.546%0.46145%0.452SS..Hα-helixtrans-63.9-46.3178.2170.60000110.9W273 M274 F279 F280 L281W273-V277 WeakPolarHBondContact O-CB 3.44Å; W273-V277 VanDerWaalsContact O-CG2 3.27Å; W273-V277 WeakPolarHBondContact O-CG2 3.09Å; W273-V277 PolarHBondContact O-N 3.02Å; M274-V277 PolarHBondContact O-N 2.87Å; V277-F279 VanDerWaalsContact C-N 3.31Å; V277-F279 PolarHBondContact O-N 3.45Å; V277-F280 PolarHBondContact O-N 3.33Å; V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.26Å; V277-L281 WeakPolarHBondContact O-CG 3.37Å; V277-L281 PolarHBondContact O-N 3.15Å
278S88.7Confident86Confident67 Ų6789.1 Ų89.147%0.46946%0.457SS..Hα-helixtrans-59.8-40.9176.9-66.60000112.3M274 L275 L281 Y282M274-S278 VanDerWaalsContact O-CB 3.28Å; M274-S278 WeakPolarHBondContact O-CB 3.38Å; M274-S278 PolarHBondContact O-N 3.48Å; M274-S278 PolarHBondContact O-OG 3.49Å; L275-S278 PolarHBondContact O-N 2.86Å; S278-L281 PolarHBondContact O-N 3.38Å; S278-Y282 VanDerWaalsContact O-CB 3.28Å; S278-Y282 WeakPolarHBondContact O-CB 3.31Å; S278-Y282 PolarHBondContact O-N 2.97Å
279F88.4Confident85.9Confident136 Ų13690.3 Ų90.360%0.59646%0.463SS*.Hα-helixtrans-63.6-44.6174.7174.8-98.5000111.9L275 T276 V277 Y282 A283L275-F279 VanDerWaalsContact O-CB 3.26Å; L275-F279 WeakPolarHBondContact O-CB 3.38Å; L275-F279 PolarHBondContact O-N 3.01Å; T276-F279 PolarHBondContact O-N 3.35Å; V277-F279 VanDerWaalsContact C-N 3.31Å; V277-F279 PolarHBondContact O-N 3.45Å; F279-Y282 PolarHBondContact O-N 3.35Å; F279-A283 WeakPolarHBondContact O-CB 3.19Å; F279-A283 PolarHBondContact O-N 3.07Å
280F84.5Confident85.9Confident109 Ų10995.3 Ų95.348%0.47848%0.481SS..Hα-helixtrans-63.9-41.2176.6-83.1-64.7000112.5T276 V277 A283 L284T276-F280 HydrophobicContact CG2-CD2 3.69Å; T276-F280 HydrophobicContact CG2-CE2 3.47Å; T276-F280 VanDerWaalsContact CG2-CE2 3.47Å; T276-F280 WeakPolarHBondContact O-CD2 3.49Å; T276-F280 PolarHBondContact O-N 3.05Å; V277-F280 PolarHBondContact O-N 3.33Å; F280-A283 PolarHBondContact O-N 3.45Å; F280-L284 WeakPolarHBondContact O-CB 3.36Å; F280-L284 PolarHBondContact O-N 3.43Å
281L85.8Confident86.1Confident100 Ų10095.2 Ų95.252%0.52448%0.48SS..Hα-helixtrans-64.8-43175.5-69.7175.5000111.3V277 S278 L284 C285V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.26Å; V277-L281 WeakPolarHBondContact O-CG 3.37Å; V277-L281 PolarHBondContact O-N 3.15Å; S278-L281 PolarHBondContact O-N 3.38Å; L281-L284 PolarHBondContact O-N 2.98Å; L281-C285 PolarHBondContact O-N 3.29Å; L281-C285 PolarHBondContact O-SG 3.45Å
282Y87.9Confident85.9Confident125 Ų12595.9 Ų95.949%0.4948%0.483SS..Hα-helixtrans-58.7-50.8173.4175.1-91.6000111.3S278 F279 L284 C285 F286S278-Y282 VanDerWaalsContact O-CB 3.28Å; S278-Y282 WeakPolarHBondContact O-CB 3.31Å; S278-Y282 PolarHBondContact O-N 2.97Å; F279-Y282 PolarHBondContact O-N 3.35Å; Y282-L284 VanDerWaalsContact C-N 3.28Å; Y282-L284 PolarHBondContact O-N 3.25Å; Y282-C285 PolarHBondContact O-N 2.85Å; Y282-C285 VanDerWaalsContact O-N 3.14Å; Y282-F286 HydrophobicContact CD1-CD2 4.39Å; Y282-F286 AromaticContact CD2-CD2 3.26Å; Y282-F286 HydrophobicContact CD2-CD2 3.26Å; Y282-F286 AromaticContact CD2-CE2 3.4Å; Y282-F286 HydrophobicContact CD2-CE2 3.4Å; Y282-F286 VanDerWaalsContact CD2-CE2 3.4Å; Y282-F286 HydrophobicContact CD2-CG 4.37Å; Y282-F286 HydrophobicContact CE1-CD2 4.35Å; Y282-F286 AromaticContact CE2-CD2 3.21Å; Y282-F286 HydrophobicContact CE2-CD2 3.21Å; Y282-F286 AromaticContact CE2-CE2 3.43Å; Y282-F286 HydrophobicContact CE2-CE2 3.43Å; Y282-F286 VanDerWaalsContact CE2-CE2 3.43Å; Y282-F286 AromaticContact CE2-CG 3.97Å; Y282-F286 HydrophobicContact CE2-CG 3.97Å; Y282-F286 HydrophobicContact CE2-CZ 4.3Å; Y282-F286 AromaticContact CG-CD2 3.87Å; Y282-F286 HydrophobicContact CG-CD2 3.87Å; Y282-F286 HydrophobicContact CG-CE2 4.36Å; Y282-F286 AromaticContact CZ-CD2 3.8Å; Y282-F286 VanDerWaalsContact O-CD2 3.27Å; Y282-F286 WeakPolarHBondContact O-CD2 3.49Å; Y282-F286 PolarHBondContact O-N 2.89Å
283A85.3Confident85.8Confident13 Ų1397.3 Ų97.311%0.10749%0.489CS..Hα-helixtrans-58-41.9177.900000111.5F279 F280 C285 H287 S291F279-A283 WeakPolarHBondContact O-CB 3.19Å; F279-A283 PolarHBondContact O-N 3.07Å; F280-A283 PolarHBondContact O-N 3.45Å; A283-C285 VanDerWaalsContact C-N 3.35Å; A283-C285 PolarHBondContact O-N 2.97Å; A283-H287 CarbonylContact O-C 3.56Å; A283-H287 VanDerWaalsContact O-CA 3.29Å; A283-H287 WeakPolarHBondContact O-CA 3.5Å; A283-H287 WeakPolarHBondContact O-CB 3.49Å; A283-H287 PolarHBondContact O-N 3.46Å; A283-S291 PolarHBondContact O-OG 2.92Å; A283-S291 VanDerWaalsContact O-OG 3.06Å
284L83.9Confident85.9Confident89 Ų8999.2 Ų99.247%0.46650%0.497SS..Hα-helixtrans-63.8-38.9178-169.368000112.6F280 L281 Y282 S291F280-L284 WeakPolarHBondContact O-CB 3.36Å; F280-L284 PolarHBondContact O-N 3.43Å; L281-L284 PolarHBondContact O-N 2.98Å; Y282-L284 VanDerWaalsContact C-N 3.28Å; Y282-L284 PolarHBondContact O-N 3.25Å; L284-S291 PolarHBondContact N-OG 2.78Å
285C83.7Confident85.9Confident97 Ų9796.8 Ų96.866%0.65549%0.489SS*.Hα-helixtrans-74.6-38.8179.5-69.60000113.3L281 Y282 A283L281-C285 PolarHBondContact O-N 3.29Å; L281-C285 PolarHBondContact O-SG 3.45Å; Y282-C285 PolarHBondContact O-N 2.85Å; Y282-C285 VanDerWaalsContact O-N 3.14Å; A283-C285 VanDerWaalsContact C-N 3.35Å; A283-C285 PolarHBondContact O-N 2.97Å
286F85.4Confident85.9Confident142 Ų14293 Ų9362%0.62348%0.475SS*.Hα-helixtrans-106.6-21.6-170.4-65.4-77.9000114.6Y282Y282-F286 HydrophobicContact CD1-CD2 4.39Å; Y282-F286 AromaticContact CD2-CD2 3.26Å; Y282-F286 HydrophobicContact CD2-CD2 3.26Å; Y282-F286 AromaticContact CD2-CE2 3.4Å; Y282-F286 HydrophobicContact CD2-CE2 3.4Å; Y282-F286 VanDerWaalsContact CD2-CE2 3.4Å; Y282-F286 HydrophobicContact CD2-CG 4.37Å; Y282-F286 HydrophobicContact CE1-CD2 4.35Å; Y282-F286 AromaticContact CE2-CD2 3.21Å; Y282-F286 HydrophobicContact CE2-CD2 3.21Å; Y282-F286 AromaticContact CE2-CE2 3.43Å; Y282-F286 HydrophobicContact CE2-CE2 3.43Å; Y282-F286 VanDerWaalsContact CE2-CE2 3.43Å; Y282-F286 AromaticContact CE2-CG 3.97Å; Y282-F286 HydrophobicContact CE2-CG 3.97Å; Y282-F286 HydrophobicContact CE2-CZ 4.3Å; Y282-F286 AromaticContact CG-CD2 3.87Å; Y282-F286 HydrophobicContact CG-CD2 3.87Å; Y282-F286 HydrophobicContact CG-CE2 4.36Å; Y282-F286 AromaticContact CZ-CD2 3.8Å; Y282-F286 VanDerWaalsContact O-CD2 3.27Å; Y282-F286 WeakPolarHBondContact O-CD2 3.49Å; Y282-F286 PolarHBondContact O-N 2.89Å
287H83.8Confident86.1Confident108 Ų10892.9 Ų92.950%0.548%0.478SS..SBendtrans-122.248.6179.1-63.7-73000111A283 L289 F290 S291A283-H287 CarbonylContact O-C 3.56Å; A283-H287 VanDerWaalsContact O-CA 3.29Å; A283-H287 WeakPolarHBondContact O-CA 3.5Å; A283-H287 WeakPolarHBondContact O-CB 3.49Å; A283-H287 PolarHBondContact O-N 3.46Å; H287-L289 VanDerWaalsContact C-N 3.28Å; H287-L289 PolarHBondContact O-N 2.65Å; H287-L289 VanDerWaalsContact O-N 3.1Å; H287-F290 PolarHBondContact O-N 3.3Å; H287-S291 PolarHBondContact O-N 2.71Å
288S79Confident86.4Confident73 Ų7390.4 Ų90.451%0.5146%0.463SS..Hα-helixtrans-51.1-41-168.163.10000114L292S288-L292 WeakPolarHBondContact O-CA 3.43Å; S288-L292 WeakPolarHBondContact O-CB 3.39Å; S288-L292 PolarHBondContact O-N 3.12Å
289L84.4Confident86.6Confident141 Ų14191.3 Ų91.374%0.73846%0.459SS*.Hα-helixtrans-66.5-45.7179.3-67.8178.3000113.1H287 L292 F293H287-L289 VanDerWaalsContact C-N 3.28Å; H287-L289 PolarHBondContact O-N 2.65Å; H287-L289 VanDerWaalsContact O-N 3.1Å; L289-L292 PolarHBondContact O-N 2.67Å; L289-F293 WeakPolarHBondContact O-CB 3.42Å; L289-F293 PolarHBondContact O-N 2.74Å
290F83.7Confident87Confident147 Ų14790.4 Ų90.465%0.64546%0.459SS*.Hα-helixtrans-68.4-43.4179.5-179.3-98.3000111H287 F293 Y294H287-F290 PolarHBondContact O-N 3.3Å; F290-F293 PolarHBondContact O-N 3.13Å; F290-Y294 PolarHBondContact O-N 3.43Å
291S84.7Confident87.5Confident13 Ų1389 Ų899%0.09146%0.46CS..Hα-helixtrans-65.3-39.5176.3-66.10000112.2A283 L284 H287 Y294 V295A283-S291 PolarHBondContact O-OG 2.92Å; A283-S291 VanDerWaalsContact O-OG 3.06Å; L284-S291 PolarHBondContact N-OG 2.78Å; H287-S291 PolarHBondContact O-N 2.71Å; S291-Y294 PolarHBondContact O-N 3.39Å; S291-V295 WeakPolarHBondContact O-CB 3.5Å; S291-V295 VanDerWaalsContact O-CG2 3.28Å; S291-V295 WeakPolarHBondContact O-CG2 3.05Å; S291-V295 PolarHBondContact O-N 3.12Å
292L83.3Confident87.9Confident110 Ų11086 Ų8658%0.57644%0.443SS*.Hα-helixtrans-62.6-44.2173.9-179.963.8000111S288 L289 V295 A296S288-L292 WeakPolarHBondContact O-CA 3.43Å; S288-L292 WeakPolarHBondContact O-CB 3.39Å; S288-L292 PolarHBondContact O-N 3.12Å; L289-L292 PolarHBondContact O-N 2.67Å; L292-V295 PolarHBondContact O-N 3Å; L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 3.19Å
293F88.5Confident88.2Confident145 Ų14585.5 Ų85.564%0.63644%0.44SS*.Hα-helixtrans-60.3-46.4175.3177.7-97.2000111.6L289 F290 V295 A296 A297L289-F293 WeakPolarHBondContact O-CB 3.42Å; L289-F293 PolarHBondContact O-N 2.74Å; F290-F293 PolarHBondContact O-N 3.13Å; F293-V295 PolarHBondContact O-N 3.46Å; F293-A296 PolarHBondContact O-N 3.18Å; F293-A297 HydrophobicContact CE1-CB 4.48Å; F293-A297 WeakPolarHBondContact O-CB 3.4Å; F293-A297 PolarHBondContact O-N 2.8Å
294Y87.6Confident88.7Confident126 Ų12691 Ų9149%0.49446%0.461SS..Hα-helixtrans-61.4-44.5178177.4-94.3000112.7F290 S291 S298F290-Y294 PolarHBondContact O-N 3.43Å; S291-Y294 PolarHBondContact O-N 3.39Å; Y294-S298 WeakPolarHBondContact O-CB 3.43Å; Y294-S298 PolarHBondContact O-N 3.28Å; Y294-S298 PolarHBondContact O-OG 2.69Å
295V88.3Confident89.2Confident61 Ų6187.3 Ų87.337%0.3744%0.442SS..Hα-helixtrans-62.9-50.8176.1171.60000109.7S291 L292 F293 A297 S298 F299S291-V295 WeakPolarHBondContact O-CB 3.5Å; S291-V295 VanDerWaalsContact O-CG2 3.28Å; S291-V295 WeakPolarHBondContact O-CG2 3.05Å; S291-V295 PolarHBondContact O-N 3.12Å; L292-V295 PolarHBondContact O-N 3Å; F293-V295 PolarHBondContact O-N 3.46Å; V295-A297 PolarHBondContact O-N 2.92Å; V295-S298 WeakPolarHBondContact O-CB 3.46Å; V295-S298 PolarHBondContact O-N 3.35Å; V295-S298 VanDerWaalsContact O-N 3.14Å; V295-F299 HydrophobicContact CG1-CD2 3.77Å; V295-F299 HydrophobicContact CG1-CE2 3.69Å; V295-F299 VanDerWaalsContact O-CD2 3.29Å; V295-F299 WeakPolarHBondContact O-CD2 3.47Å; V295-F299 PolarHBondContact O-N 2.86Å
296A91.1Very high89.6Confident42 Ų4284.1 Ų84.135%0.34742%0.418SS..Hα-helixtrans-58.6-45.8178.600000112L292 F293 S298 F299 I300L292-A296 WeakPolarHBondContact O-CB 3.42Å; L292-A296 PolarHBondContact O-N 3.19Å; F293-A296 PolarHBondContact O-N 3.18Å; A296-S298 VanDerWaalsContact C-N 3.32Å; A296-S298 PolarHBondContact O-N 2.78Å; A296-F299 PolarHBondContact O-N 3.3Å; A296-I300 VanDerWaalsContact O-CG1 3.25Å; A296-I300 WeakPolarHBondContact O-CG1 2.85Å; A296-I300 PolarHBondContact O-N 2.96Å
297A93.5Very high90Very high31 Ų3182.9 Ų82.926%0.25642%0.422SS..Hα-helixtrans-60.8-41.2176.300000111.5F293 V295 I300 V301F293-A297 HydrophobicContact CE1-CB 4.48Å; F293-A297 WeakPolarHBondContact O-CB 3.4Å; F293-A297 PolarHBondContact O-N 2.8Å; V295-A297 PolarHBondContact O-N 2.92Å; A297-I300 PolarHBondContact O-N 3.23Å; A297-V301 WeakPolarHBondContact O-CB 3.37Å; A297-V301 VanDerWaalsContact O-CG2 3.27Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 3.03Å
298S92.1Very high90.5Very high23 Ų2384.1 Ų84.116%0.16143%0.426CS..Hα-helixtrans-61-47.9175.1-60.30000111.2Y294 V295 A296 I300 V301 F302Y294-S298 WeakPolarHBondContact O-CB 3.43Å; Y294-S298 PolarHBondContact O-N 3.28Å; Y294-S298 PolarHBondContact O-OG 2.69Å; V295-S298 WeakPolarHBondContact O-CB 3.46Å; V295-S298 PolarHBondContact O-N 3.35Å; V295-S298 VanDerWaalsContact O-N 3.14Å; A296-S298 VanDerWaalsContact C-N 3.32Å; A296-S298 PolarHBondContact O-N 2.78Å; S298-I300 PolarHBondContact O-N 2.86Å; S298-V301 PolarHBondContact O-N 3.39Å; S298-F302 VanDerWaalsContact O-CD2 3.29Å; S298-F302 WeakPolarHBondContact O-CD2 3.46Å; S298-F302 PolarHBondContact O-N 3.38Å
299F94.4Very high91.2Very high86 Ų8685.8 Ų85.838%0.37742%0.422SS..Hα-helixtrans-57.9-47.5174.6-87.2-84.4000111.6P72 W76 V295 A296 V301 R303P72-F299 HydrophobicContact CB-CE1 3.89Å; P72-F299 HydrophobicContact CB-CZ 3.65Å; P72-F299 HydrophobicContact CG-CE1 3.59Å; P72-F299 HydrophobicContact CG-CZ 3.73Å; W76-F299 HydrophobicContact CH2-CB 4.49Å; W76-F299 AromaticContact CH2-CD1 3.74Å; W76-F299 HydrophobicContact CH2-CD1 3.74Å; W76-F299 AromaticContact CH2-CD2 3.78Å; W76-F299 HydrophobicContact CH2-CD2 3.78Å; W76-F299 AromaticContact CH2-CE1 3.8Å; W76-F299 HydrophobicContact CH2-CE1 3.8Å; W76-F299 AromaticContact CH2-CE2 3.82Å; W76-F299 HydrophobicContact CH2-CE2 3.82Å; W76-F299 AromaticContact CH2-CG 3.73Å; W76-F299 HydrophobicContact CH2-CG 3.73Å; W76-F299 AromaticContact CH2-CZ 3.83Å; W76-F299 HydrophobicContact CH2-CZ 3.83Å; W76-F299 AromaticContact CZ2-CD1 3.66Å; W76-F299 HydrophobicContact CZ2-CD1 3.66Å; W76-F299 AromaticContact CZ2-CE1 3.77Å; W76-F299 HydrophobicContact CZ2-CE1 3.77Å; W76-F299 HydrophobicContact CZ2-CG 4.06Å; W76-F299 HydrophobicContact CZ2-CZ 4.24Å; V295-F299 HydrophobicContact CG1-CD2 3.77Å; V295-F299 HydrophobicContact CG1-CE2 3.69Å; V295-F299 VanDerWaalsContact O-CD2 3.29Å; V295-F299 WeakPolarHBondContact O-CD2 3.47Å; V295-F299 PolarHBondContact O-N 2.86Å; A296-F299 PolarHBondContact O-N 3.3Å; F299-V301 PolarHBondContact O-N 3.3Å; F299-R303 WeakPolarHBondContact O-CB 3.46Å; F299-R303 WeakPolarHBondContact O-CG 3.41Å; F299-R303 PolarHBondContact O-N 2.98Å
300I95.7Very high91.6Very high117 Ų11780.9 Ų80.960%0.641%0.405SS*.Hα-helixtrans-59-49179-69.5164.1000110.5A296 A297 S298 F304A296-I300 VanDerWaalsContact O-CG1 3.25Å; A296-I300 WeakPolarHBondContact O-CG1 2.85Å; A296-I300 PolarHBondContact O-N 2.96Å; A297-I300 PolarHBondContact O-N 3.23Å; S298-I300 PolarHBondContact O-N 2.86Å; I300-F304 WeakPolarHBondContact O-CB 3.1Å; I300-F304 PolarHBondContact O-N 3.14Å
301V95.3Very high92.1Very high80 Ų8073.9 Ų73.949%0.48538%0.375SS..Hα-helixtrans-62.5-51.6-178.8169.50000111.2A297 S298 F299 R303 F304 V305A297-V301 WeakPolarHBondContact O-CB 3.37Å; A297-V301 VanDerWaalsContact O-CG2 3.27Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 3.03Å; S298-V301 PolarHBondContact O-N 3.39Å; F299-V301 PolarHBondContact O-N 3.3Å; V301-R303 PolarHBondContact O-N 2.95Å; V301-F304 PolarHBondContact O-N 3.23Å; V301-V305 WeakPolarHBondContact O-CG2 3.44Å; V301-V305 PolarHBondContact O-N 2.9Å
302F94.7Very high92.6Very high38 Ų3875.7 Ų75.717%0.16738%0.382CS..Hα-helixtrans-65.7-39.3-178.6-82.4-76.4000112.1W76 S298 V305 E306 M312W76-F302 HydrophobicContact CB-CD1 3.79Å; W76-F302 HydrophobicContact CB-CD2 4.24Å; W76-F302 HydrophobicContact CB-CE1 3.54Å; W76-F302 HydrophobicContact CB-CE2 4.04Å; W76-F302 HydrophobicContact CB-CG 4.15Å; W76-F302 HydrophobicContact CB-CZ 3.69Å; W76-F302 AromaticContact CD1-CD1 3.72Å; W76-F302 AromaticContact CD1-CG 3.73Å; W76-F302 HydrophobicContact CD2-CB 4.06Å; W76-F302 HydrophobicContact CD2-CD1 4.21Å; W76-F302 AromaticContact CD2-CD2 3.53Å; W76-F302 HydrophobicContact CD2-CD2 3.53Å; W76-F302 HydrophobicContact CD2-CE2 4.02Å; W76-F302 AromaticContact CD2-CG 3.66Å; W76-F302 HydrophobicContact CD2-CG 3.66Å; W76-F302 AromaticContact CE2-CG 3.9Å; W76-F302 AromaticContact CE3-CD2 3.62Å; W76-F302 HydrophobicContact CE3-CD2 3.62Å; W76-F302 AromaticContact CE3-CE2 3.88Å; W76-F302 HydrophobicContact CE3-CE2 3.88Å; W76-F302 HydrophobicContact CE3-CG 4.25Å; W76-F302 HydrophobicContact CG-CB 4.17Å; W76-F302 AromaticContact CG-CD1 3.63Å; W76-F302 HydrophobicContact CG-CD1 3.63Å; W76-F302 AromaticContact CG-CD2 3.82Å; W76-F302 HydrophobicContact CG-CD2 3.82Å; W76-F302 AromaticContact CG-CE1 3.91Å; W76-F302 HydrophobicContact CG-CE1 3.91Å; W76-F302 HydrophobicContact CG-CE2 4.11Å; W76-F302 AromaticContact CG-CG 3.59Å; W76-F302 HydrophobicContact CG-CG 3.59Å; W76-F302 HydrophobicContact CG-CZ 4.16Å; W76-F302 HydrophobicContact CZ2-CB 4.27Å; W76-F302 HydrophobicContact CZ3-CD2 4.22Å; W76-F302 AromaticContact NE1-CG 3.91Å; S298-F302 VanDerWaalsContact O-CD2 3.29Å; S298-F302 WeakPolarHBondContact O-CD2 3.46Å; S298-F302 PolarHBondContact O-N 3.38Å; F302-V305 PolarHBondContact O-N 3.28Å; F302-E306 VanDerWaalsContact O-CB 3.29Å; F302-E306 WeakPolarHBondContact O-CB 3.46Å; F302-E306 PolarHBondContact O-N 2.91Å; F302-M312 HydrophobicContact CD1-CG 3.98Å; F302-M312 HydrophobicContact CE1-CG 3.72Å
303R93.5Very high93.2Very high114 Ų11471 Ų7143%0.4336%0.358SS..Hα-helixtrans-67.7-39.8175.2-69.2-55.9-58.6174.40.1112.2F299 V301 E306 V307F299-R303 WeakPolarHBondContact O-CB 3.46Å; F299-R303 WeakPolarHBondContact O-CG 3.41Å; F299-R303 PolarHBondContact O-N 2.98Å; V301-R303 PolarHBondContact O-N 2.95Å; R303-E306 IonicContact CZ-OE1 3.57Å; R303-E306 IonicContact CZ-OE2 3.44Å; R303-E306 IonicContact NE-OE2 3.88Å; R303-E306 IonicContact NH1-OE1 3.85Å; R303-E306 PolarHBondContact NH1-OE1 2.94Å; R303-E306 IonicContact NH1-OE2 3.75Å; R303-E306 PolarHBondContact NH1-OE2 3.33Å; R303-E306 IonicContact NH2-OE1 3.81Å; R303-E306 PolarHBondContact O-N 3.46Å; R303-V307 WeakPolarHBondContact O-CB 3.49Å; R303-V307 VanDerWaalsContact O-CG2 3.31Å; R303-V307 WeakPolarHBondContact O-CG2 3.48Å; R303-V307 PolarHBondContact O-N 2.91Å
304F95.6Very high93.5Very high127 Ų12766.3 Ų66.356%0.55734%0.341SS*.Hα-helixtrans-60-48.9174.4171.6-97.5000111I300 V301 E306 V307 K308 Y309I300-F304 WeakPolarHBondContact O-CB 3.1Å; I300-F304 PolarHBondContact O-N 3.14Å; V301-F304 PolarHBondContact O-N 3.23Å; F304-E306 PolarHBondContact O-N 3.18Å; F304-V307 PolarHBondContact O-N 2.9Å; F304-K308 HydrophobicContact CZ-CB 4.43Å; F304-K308 HydrophobicContact CZ-CG 4.4Å; F304-K308 WeakPolarHBondContact O-CB 3.45Å; F304-K308 PolarHBondContact O-N 3.11Å; F304-Y309 HydrophobicContact CE1-CE2 4.31Å
305V95.5Very high93.9Very high12 Ų1262.3 Ų62.37%0.07333%0.328CS..Hα-helixtrans-63.8-41.6178.9173.60000111.6V301 F302 K308 Y309 G310 G311 M312 L315V301-V305 WeakPolarHBondContact O-CG2 3.44Å; V301-V305 PolarHBondContact O-N 2.9Å; F302-V305 PolarHBondContact O-N 3.28Å; V305-K308 PolarHBondContact O-N 2.74Å; V305-Y309 HydrophobicContact CG1-CD2 4.24Å; V305-Y309 WeakPolarHBondContact O-CA 3.46Å; V305-Y309 WeakPolarHBondContact O-CB 3.45Å; V305-Y309 PolarHBondContact O-N 3.36Å; V305-G310 PolarHBondContact O-N 3.37Å; V305-G311 PolarHBondContact O-N 2.93Å; V305-M312 HydrophobicContact CB-SD 4.14Å; V305-M312 HydrophobicContact CG1-CG 3.96Å; V305-M312 HydrophobicContact CG1-SD 3.64Å; V305-M312 HydrophobicContact CG2-SD 3.89Å; V305-L315 HydrophobicContact CG1-CD2 4.06Å
306E91.7Very high94.2Very high30 Ų3062.6 Ų62.614%0.1433%0.325CS..Hα-helixtrans-60.5-48.3177-170.4-171.5144.600111.8N70 F302 R303 F304 G310N70-E306 VanDerWaalsContact OD1-CD 3.28Å; N70-E306 PolarHBondContact OD1-OE1 3.23Å; N70-E306 PolarHBondContact OD1-OE2 3.4Å; F302-E306 VanDerWaalsContact O-CB 3.29Å; F302-E306 WeakPolarHBondContact O-CB 3.46Å; F302-E306 PolarHBondContact O-N 2.91Å; R303-E306 IonicContact CZ-OE1 3.57Å; R303-E306 IonicContact CZ-OE2 3.44Å; R303-E306 IonicContact NE-OE2 3.88Å; R303-E306 IonicContact NH1-OE1 3.85Å; R303-E306 PolarHBondContact NH1-OE1 2.94Å; R303-E306 IonicContact NH1-OE2 3.75Å; R303-E306 PolarHBondContact NH1-OE2 3.33Å; R303-E306 IonicContact NH2-OE1 3.81Å; R303-E306 PolarHBondContact O-N 3.46Å; F304-E306 PolarHBondContact O-N 3.18Å; E306-G310 CarbonylContact O-C 3.5Å; E306-G310 WeakPolarHBondContact O-CA 3.38Å; E306-G310 PolarHBondContact O-N 2.91Å
307V92.7Very high94.3Very high116 Ų11660.9 Ų60.970%0.70331%0.31SS*.Hα-helixtrans-68.1-40.9179.7171.50000111.6R303 F304R303-V307 WeakPolarHBondContact O-CB 3.49Å; R303-V307 VanDerWaalsContact O-CG2 3.31Å; R303-V307 WeakPolarHBondContact O-CG2 3.48Å; R303-V307 PolarHBondContact O-N 2.91Å; F304-V307 PolarHBondContact O-N 2.9Å
308K95.3Very high94.3Very high135 Ų13561.8 Ų61.859%0.58732%0.318SS*.Hα-helixtrans-82.5-37.1-172.8-174.760179.81790113.6F304 V305F304-K308 HydrophobicContact CZ-CB 4.43Å; F304-K308 HydrophobicContact CZ-CG 4.4Å; F304-K308 WeakPolarHBondContact O-CB 3.45Å; F304-K308 PolarHBondContact O-N 3.11Å; V305-K308 PolarHBondContact O-N 2.74Å
309Y94.1Very high94.4Very high108 Ų10863.9 Ų63.942%0.42433%0.329SS..Hα-helixtrans-123.60.9-170.9-57.7-74.5000113.4F304 V305 G311 V314 L315F304-Y309 HydrophobicContact CE1-CE2 4.31Å; V305-Y309 HydrophobicContact CG1-CD2 4.24Å; V305-Y309 WeakPolarHBondContact O-CA 3.46Å; V305-Y309 WeakPolarHBondContact O-CB 3.45Å; V305-Y309 PolarHBondContact O-N 3.36Å; Y309-G311 PolarHBondContact O-N 2.74Å; Y309-V314 WeakPolarHBondContact O-CB 3.32Å; Y309-V314 VanDerWaalsContact O-CG1 3.27Å; Y309-V314 WeakPolarHBondContact O-CG1 3.47Å; Y309-L315 HydrophobicContact CD1-CD1 3.82Å; Y309-L315 HydrophobicContact CD2-CD1 4.31Å; Y309-L315 HydrophobicContact CD2-CD2 4.08Å; Y309-L315 HydrophobicContact CE1-CD1 4.15Å; Y309-L315 HydrophobicContact CE2-CD2 4.47Å; Y309-L315 HydrophobicContact CG-CB 4.46Å; Y309-L315 HydrophobicContact CG-CD1 3.89Å; Y309-L315 HydrophobicContact CG-CD2 4.35Å; Y309-L315 HydrophobicContact CG-CG 4.47Å
310G92Very high94.2Very high38 Ų3863.6 Ų63.639%0.39233%0.326SS..SBendtrans80-1.6-175.600000113.8K69 V305 E306K69-G310 WeakPolarHBondContact CE-O 3.29Å; K69-G310 PolarHBondContact NZ-O 2.71Å; V305-G310 PolarHBondContact O-N 3.37Å; E306-G310 CarbonylContact O-C 3.5Å; E306-G310 WeakPolarHBondContact O-CA 3.38Å; E306-G310 PolarHBondContact O-N 2.91Å
311G94.4Very high93.9Very high0 Ų058.3 Ų58.30%030%0.299CS..  trans129.916717700000114.4V305 Y309 D313 V314 L315V305-G311 PolarHBondContact O-N 2.93Å; Y309-G311 PolarHBondContact O-N 2.74Å; G311-D313 VanDerWaalsContact C-N 3.34Å; G311-D313 PolarHBondContact O-N 2.98Å; G311-V314 PolarHBondContact O-N 2.96Å; G311-L315 WeakPolarHBondContact O-CB 3.43Å; G311-L315 PolarHBondContact O-N 3.42Å
312M95.7Very high93.6Very high50 Ų5057.9 Ų57.925%0.24630%0.299CS..Hα-helixtrans-64.9-36.3-176.7-76.3-65.2-56.600112.6Q79 F302 V305 L315 Q316Q79-M312 HydrophobicContact CB-CB 3.96Å; F302-M312 HydrophobicContact CD1-CG 3.98Å; F302-M312 HydrophobicContact CE1-CG 3.72Å; V305-M312 HydrophobicContact CB-SD 4.14Å; V305-M312 HydrophobicContact CG1-CG 3.96Å; V305-M312 HydrophobicContact CG1-SD 3.64Å; V305-M312 HydrophobicContact CG2-SD 3.89Å; M312-L315 PolarHBondContact O-N 3.39Å; M312-L315 HydrophobicContact SD-CD2 4.49Å; M312-Q316 WeakPolarHBondContact O-CB 3.29Å; M312-Q316 PolarHBondContact O-N 2.94Å
313D95.3Very high93.1Very high12 Ų1262.7 Ų62.76%0.06432%0.322CS..Hα-helixtrans-62-44.6174.652.1-58.4000112.5K69 Q79 N82 F85 G311 T317K69-D313 WeakPolarHBondContact CE-OD1 3.27Å; K69-D313 IonicContact NZ-OD1 2.75Å; K69-D313 PolarHBondContact NZ-OD1 3.43Å; K69-D313 IonicContact NZ-OD2 2.66Å; K69-D313 PolarHBondContact NZ-OD2 2.88Å; Q79-D313 HydrophobicContact CB-CB 4.47Å; Q79-D313 WeakPolarHBondContact CG-OD1 3.11Å; Q79-D313 PolarHBondContact OE1-OD1 3.37Å; N82-D313 WeakPolarHBondContact OD1-CA 3.37Å; N82-D313 PolarHBondContact OD1-O 3.41Å; F85-D313 HydrophobicContact CE2-CB 4.49Å; G311-D313 VanDerWaalsContact C-N 3.34Å; G311-D313 PolarHBondContact O-N 2.98Å; D313-T317 VanDerWaalsContact O-CB 3.23Å; D313-T317 WeakPolarHBondContact O-CB 3.37Å; D313-T317 PolarHBondContact O-N 3.42Å; D313-T317 PolarHBondContact O-OG1 3.15Å
314V95.3Very high92.3Very high46 Ų4663.5 Ų63.528%0.27933%0.325SS..Hα-helixtrans-68.3-44.6178-1790000110Y309 G311 T317 A318Y309-V314 WeakPolarHBondContact O-CB 3.32Å; Y309-V314 VanDerWaalsContact O-CG1 3.27Å; Y309-V314 WeakPolarHBondContact O-CG1 3.47Å; G311-V314 PolarHBondContact O-N 2.96Å; V314-T317 PolarHBondContact O-N 3.11Å; V314-A318 VanDerWaalsContact O-CB 3.31Å; V314-A318 WeakPolarHBondContact O-CB 3.32Å; V314-A318 PolarHBondContact O-N 3.27Å
315L95.3Very high90.9Very high43 Ų4366 Ų6623%0.22534%0.336CS..Hα-helixtrans-59.5-49.1176.5179.958.3000111.4V305 Y309 G311 M312 T317 A318 V319V305-L315 HydrophobicContact CG1-CD2 4.06Å; Y309-L315 HydrophobicContact CD1-CD1 3.82Å; Y309-L315 HydrophobicContact CD2-CD1 4.31Å; Y309-L315 HydrophobicContact CD2-CD2 4.08Å; Y309-L315 HydrophobicContact CE1-CD1 4.15Å; Y309-L315 HydrophobicContact CE2-CD2 4.47Å; Y309-L315 HydrophobicContact CG-CB 4.46Å; Y309-L315 HydrophobicContact CG-CD1 3.89Å; Y309-L315 HydrophobicContact CG-CD2 4.35Å; Y309-L315 HydrophobicContact CG-CG 4.47Å; G311-L315 WeakPolarHBondContact O-CB 3.43Å; G311-L315 PolarHBondContact O-N 3.42Å; M312-L315 PolarHBondContact O-N 3.39Å; M312-L315 HydrophobicContact SD-CD2 4.49Å; L315-T317 PolarHBondContact O-N 3.28Å; L315-A318 PolarHBondContact O-N 3.18Å; L315-V319 HydrophobicContact CD1-CG2 4Å; L315-V319 HydrophobicContact CG-CG2 4.47Å; L315-V319 WeakPolarHBondContact O-CB 3.42Å; L315-V319 VanDerWaalsContact O-CG2 3.24Å; L315-V319 WeakPolarHBondContact O-CG2 3.31Å; L315-V319 PolarHBondContact O-N 3.49Å
316Q94.2Very high89.1Confident66 Ų6669.2 Ų69.231%0.30835%0.352SS..Hα-helixtrans-60.2-45.7178.3175174.9-28.500111.6Y103 M312 W320Y103-Q316 HydrophobicContact CE2-CG 4.49Å; Y103-Q316 PolarHBondContact OH-NE2 2.87Å; M312-Q316 WeakPolarHBondContact O-CB 3.29Å; M312-Q316 PolarHBondContact O-N 2.94Å; Q316-W320 WeakPolarHBondContact O-CB 3.41Å; Q316-W320 PolarHBondContact O-N 3.25Å
317T94.8Very high87.2Confident7 Ų772.8 Ų72.84%0.04337%0.367CS..Hα-helixtrans-60.9-48.3177.7-66.60000111.2N82 M99 Y103 D313 V314 L315 W320 L321N82-T317 PolarHBondContact ND2-OG1 3.08Å; N82-T317 PolarHBondContact OD1-OG1 3.24Å; M99-T317 HydrophobicContact CB-CG2 4.02Å; Y103-T317 HydrophobicContact CG-CG2 4.44Å; D313-T317 VanDerWaalsContact O-CB 3.23Å; D313-T317 WeakPolarHBondContact O-CB 3.37Å; D313-T317 PolarHBondContact O-N 3.42Å; D313-T317 PolarHBondContact O-OG1 3.15Å; V314-T317 PolarHBondContact O-N 3.11Å; L315-T317 PolarHBondContact O-N 3.28Å; T317-W320 PolarHBondContact O-N 3Å; T317-L321 HydrophobicContact CG2-CD1 3.59Å; T317-L321 HydrophobicContact CG2-CG 4.45Å; T317-L321 VanDerWaalsContact O-CB 3.3Å; T317-L321 WeakPolarHBondContact O-CB 3.34Å; T317-L321 WeakPolarHBondContact O-CD1 3.32Å; T317-L321 VanDerWaalsContact O-CG 3.23Å; T317-L321 WeakPolarHBondContact O-CG 3.39Å; T317-L321 PolarHBondContact O-N 3.43Å
318A92.6Very high84.6Confident50 Ų5075.8 Ų75.841%0.41339%0.393SS..Hα-helixtrans-63.4-45.8179.300000112.2V314 L315 W320 L321 S322V314-A318 VanDerWaalsContact O-CB 3.31Å; V314-A318 WeakPolarHBondContact O-CB 3.32Å; V314-A318 PolarHBondContact O-N 3.27Å; L315-A318 PolarHBondContact O-N 3.18Å; A318-W320 PolarHBondContact O-N 2.89Å; A318-L321 PolarHBondContact O-N 3.03Å; A318-S322 VanDerWaalsContact O-CB 3.3Å; A318-S322 WeakPolarHBondContact O-CB 3.39Å; A318-S322 PolarHBondContact O-N 3.43Å; A318-S322 PolarHBondContact O-OG 2.99Å
319V93.5Very high84.1Confident66 Ų6672.8 Ų72.840%0.438%0.383SS..Hα-helixtrans-59.8-49.4177.5169.90000110.4L315 L321 S322 Q323L315-V319 HydrophobicContact CD1-CG2 4Å; L315-V319 HydrophobicContact CG-CG2 4.47Å; L315-V319 WeakPolarHBondContact O-CB 3.42Å; L315-V319 VanDerWaalsContact O-CG2 3.24Å; L315-V319 WeakPolarHBondContact O-CG2 3.31Å; L315-V319 PolarHBondContact O-N 3.49Å; V319-L321 PolarHBondContact O-N 2.63Å; V319-S322 PolarHBondContact O-N 3.01Å; V319-S322 PolarHBondContact O-OG 2.91Å; V319-Q323 WeakPolarHBondContact O-CG 3.49Å; V319-Q323 PolarHBondContact O-N 2.91Å
320W90.6Very high83.6Confident81 Ų8170.9 Ų70.931%0.30738%0.381SS..Hα-helixtrans-61.2-44.1-179.5-174.3-97.1000112.7Y103 I107 Q316 T317 A318Y103-W320 HydrophobicContact CD2-CB 3.9Å; Y103-W320 AromaticContact CD2-CD1 3.71Å; Y103-W320 AromaticContact CD2-CG 3.92Å; Y103-W320 HydrophobicContact CD2-CG 3.92Å; Y103-W320 HydrophobicContact CE2-CB 3.78Å; Y103-W320 AromaticContact CE2-CD1 3.91Å; Y103-W320 HydrophobicContact CE2-CD2 4.45Å; Y103-W320 AromaticContact CE2-CG 3.76Å; Y103-W320 HydrophobicContact CE2-CG 3.76Å; I107-W320 HydrophobicContact CB-CZ2 4.36Å; I107-W320 HydrophobicContact CG2-CD2 4.5Å; I107-W320 HydrophobicContact CG2-CZ2 4.34Å; Q316-W320 WeakPolarHBondContact O-CB 3.41Å; Q316-W320 PolarHBondContact O-N 3.25Å; T317-W320 PolarHBondContact O-N 3Å; A318-W320 PolarHBondContact O-N 2.89Å
321L89.4Confident83.1Confident6 Ų672.8 Ų72.83%0.03138%0.381CS..Hα-helixtrans-71.5-35.8-177.8-73.7172.6000112.9A102 A106 T317 A318 V319 R324 K325 I326 F327A102-L321 HydrophobicContact CB-CD1 4.47Å; A102-L321 HydrophobicContact CB-CD2 4.18Å; A106-L321 HydrophobicContact CB-CD2 4.27Å; T317-L321 HydrophobicContact CG2-CD1 3.59Å; T317-L321 HydrophobicContact CG2-CG 4.45Å; T317-L321 VanDerWaalsContact O-CB 3.3Å; T317-L321 WeakPolarHBondContact O-CB 3.34Å; T317-L321 WeakPolarHBondContact O-CD1 3.32Å; T317-L321 VanDerWaalsContact O-CG 3.23Å; T317-L321 WeakPolarHBondContact O-CG 3.39Å; T317-L321 PolarHBondContact O-N 3.43Å; A318-L321 PolarHBondContact O-N 3.03Å; V319-L321 PolarHBondContact O-N 2.63Å; L321-R324 PolarHBondContact O-N 2.96Å; L321-K325 PolarHBondContact O-N 2.96Å; L321-I326 HydrophobicContact CD2-CB 4.12Å; L321-I326 HydrophobicContact CD2-CD1 4.3Å; L321-I326 HydrophobicContact CD2-CG2 4.06Å; L321-I326 PolarHBondContact O-N 3.22Å; L321-F327 HydrophobicContact CB-CD2 3.9Å; L321-F327 HydrophobicContact CB-CE2 4.47Å; L321-F327 HydrophobicContact CD1-CD2 3.71Å; L321-F327 HydrophobicContact CD1-CE2 3.52Å; L321-F327 HydrophobicContact CD2-CD2 4.08Å; L321-F327 HydrophobicContact CD2-CE2 3.92Å; L321-F327 HydrophobicContact CG-CD2 4.11Å; L321-F327 HydrophobicContact CG-CE2 4.17Å
322S89.2Confident82.5Confident71 Ų7177.1 Ų77.150%0.49740%0.403SS..Hα-helixtrans-64.5-39.9175.970.50000112.3A318 V319 R324 K325A318-S322 VanDerWaalsContact O-CB 3.3Å; A318-S322 WeakPolarHBondContact O-CB 3.39Å; A318-S322 PolarHBondContact O-N 3.43Å; A318-S322 PolarHBondContact O-OG 2.99Å; V319-S322 PolarHBondContact O-N 3.01Å; V319-S322 PolarHBondContact O-OG 2.91Å; S322-R324 PolarHBondContact O-N 2.67Å; S322-K325 PolarHBondContact O-N 3.14Å; S322-K325 VanDerWaalsContact O-N 3.13Å
323Q85.5Confident81.6Confident138 Ų13878.8 Ų78.865%0.64541%0.413SS*.Hα-helixtrans-63.2-24178-73.1176.8-3.800113.1V319V319-Q323 WeakPolarHBondContact O-CG 3.49Å; V319-Q323 PolarHBondContact O-N 2.91Å
324R75.1Confident80.7Confident132 Ų13283.2 Ų83.250%0.49844%0.436SS..THydrogen-bonded Turntrans-100.13.3179.1-69-174.4170-121.80.4114.1A106 L321 S322 I326A106-R324 PolarHBondContact O-NE 3.12Å; A106-R324 PolarHBondContact O-NH1 3.09Å; L321-R324 PolarHBondContact O-N 2.96Å; S322-R324 PolarHBondContact O-N 2.67Å; R324-I326 HydrophobicContact CB-CD1 3.71Å; R324-I326 HydrophobicContact CB-CG1 3.77Å; R324-I326 PolarHBondContact O-N 3.35Å; R324-I326 VanDerWaalsContact O-N 3.16Å
325K66.1Low79.7Confident179 Ų17985.9 Ų85.978%0.77845%0.447SS*.THydrogen-bonded Turntrans52.829.9-174.2-55.6-178179.2-178.70113.3L321 S322 F327L321-K325 PolarHBondContact O-N 2.96Å; S322-K325 PolarHBondContact O-N 3.14Å; S322-K325 VanDerWaalsContact O-N 3.13Å; K325-F327 VanDerWaalsContact C-N 3.31Å
326I59.1Low78.5Confident80 Ų8089.2 Ų89.241%0.4147%0.465SS..SBendtrans-80.3-21.1179-63.6174.1000110.4A106 L321 R324A106-I326 HydrophobicContact CB-CD1 3.48Å; A106-I326 VanDerWaalsContact CB-CD1 3.48Å; L321-I326 HydrophobicContact CD2-CB 4.12Å; L321-I326 HydrophobicContact CD2-CD1 4.3Å; L321-I326 HydrophobicContact CD2-CG2 4.06Å; L321-I326 PolarHBondContact O-N 3.22Å; R324-I326 HydrophobicContact CB-CD1 3.71Å; R324-I326 HydrophobicContact CB-CG1 3.77Å; R324-I326 PolarHBondContact O-N 3.35Å; R324-I326 VanDerWaalsContact O-N 3.16Å
327F50.7Low77.2Confident104 Ų10491.1 Ų91.146%0.45648%0.478SS..  trans-137.3105.6168.7-64.6-93.1000108.3A102 L321 K325A102-F327 HydrophobicContact CB-CE2 3.49Å; A102-F327 VanDerWaalsContact CB-CE2 3.49Å; A102-F327 HydrophobicContact CB-CZ 3.65Å; L321-F327 HydrophobicContact CB-CD2 3.9Å; L321-F327 HydrophobicContact CB-CE2 4.47Å; L321-F327 HydrophobicContact CD1-CD2 3.71Å; L321-F327 HydrophobicContact CD1-CE2 3.52Å; L321-F327 HydrophobicContact CD2-CD2 4.08Å; L321-F327 HydrophobicContact CD2-CE2 3.92Å; L321-F327 HydrophobicContact CG-CD2 4.11Å; L321-F327 HydrophobicContact CG-CE2 4.17Å; K325-F327 VanDerWaalsContact C-N 3.31Å
328S39.5Very low75.6Confident179 Ų17998.7 Ų98.7100%1.25252%0.517SS*.  trans-128.70161.6640000108.6

Retrieved 328 of 328 residues in 260.2 ms (Link to these results)

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