A0A096MR01_PAPAN Loading...

Tigger transposable element derived 3

AlphaFold DB , UniProt , Accession A0A096MR01, Species PAPAN (Papio anubis, Olive baboon), Gene TIGD3, Length 471 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
1M34.8Very low50.4Low242 Ų242156.1 Ų156.1100%1.19280%0.795SS**  0103.50-69.7-179.4-150.400107.1L3M1-L3 PolarHBondContact O-N 3.07Å
2E34.8Very low53.2Low198 Ų198143.2 Ų143.293%0.92573%0.729SS**  trans-70.1123.8-179.9-69.9-179.7141.200110S4E2-S4 PolarHBondContact O-N 2.98Å; E2-S4 VanDerWaalsContact O-N 3.09Å
3L38.6Very low55.8Low164 Ų164133.2 Ų133.286%0.85968%0.68SS**  trans-68.9103.1173.3-75.8156.8000108.6M1 S5M1-L3 PolarHBondContact O-N 3.07Å; L3-S5 PolarHBondContact O-N 3.23Å; L3-S5 PolarHBondContact O-OG 3.25Å
4S40.2Very low57.7Low114 Ų114123.8 Ų123.880%0.79763%0.632SS**  trans-53.298.8169.4-178.80000110E2 K6E2-S4 PolarHBondContact O-N 2.98Å; E2-S4 VanDerWaalsContact O-N 3.09Å; S4-K6 PolarHBondContact O-N 2.81Å; S4-K6 VanDerWaalsContact O-N 3.08Å
5S42.1Very low59.5Low109 Ų109117.1 Ų117.176%0.76260%0.603SS**  trans-70.5100.7173.9-60.90000108L3 K7L3-S5 PolarHBondContact O-N 3.23Å; L3-S5 PolarHBondContact O-OG 3.25Å; S5-K7 PolarHBondContact O-N 3.34Å
6K45.8Very low61.3Low197 Ų197113.3 Ų113.386%0.85758%0.582SS**  trans-55.7107.6174.8-73.5178.9179.8174.50109S4 K8S4-K6 PolarHBondContact O-N 2.81Å; S4-K6 VanDerWaalsContact O-N 3.08Å; K6-K8 PolarHBondContact O-N 2.93Å
7K50.3Low62.9Low198 Ų198108.8 Ų108.886%0.86156%0.557SS**  trans-53.1121.5172.8-71.8-178.1177.3178.80108.7S5 L9S5-K7 PolarHBondContact O-N 3.34Å; K7-L9 PolarHBondContact O-N 3.01Å; K7-L9 VanDerWaalsContact O-N 3.12Å
8K51Low64.3Low210 Ų210103.1 Ų103.191%0.91353%0.528SS*.  trans-56.7117170.7-89.9180176.4174.90108.2K6 H10K6-K8 PolarHBondContact O-N 2.93Å; K8-H10 PolarHBondContact O-N 3.17Å; K8-H10 VanDerWaalsContact O-N 3.15Å
9L59Low65.5Low155 Ų155102.5 Ų102.581%0.81252%0.523SS*.  trans-65.4109.9176.2-83.4147.1000109.7K7 A11K7-L9 PolarHBondContact O-N 3.01Å; K7-L9 VanDerWaalsContact O-N 3.12Å; L9-A11 PolarHBondContact O-N 3.27Å
10H75.8Confident66.6Low84 Ų8497.4 Ų97.439%0.38950%0.497SS..  trans-75.6109.2173.2-172.674.6000110K8 V40 Q44K8-H10 PolarHBondContact O-N 3.17Å; K8-H10 VanDerWaalsContact O-N 3.15Å; H10-V40 HydrophobicContact CB-CG1 4.4Å; H10-Q44 PolarHBondContact O-NE2 3.38Å; H10-Q44 PolarHBondContact O-OE1 3.25Å
11A81.4Confident67.6Low46 Ų4693.1 Ų93.138%0.3848%0.475SS..PPolyproline II helixtrans-92.8126179.500000111.1L9 K69L9-A11 PolarHBondContact O-N 3.27Å; A11-K69 HydrophobicContact CB-CB 4.23Å; A11-K69 HydrophobicContact CB-CD 4.33Å; A11-K69 VanDerWaalsContact O-CD 3.24Å; A11-K69 WeakPolarHBondContact O-CD 3.49Å; A11-K69 WeakPolarHBondContact O-CE 3.47Å
12L85.1Confident70Confident1 Ų185.9 Ų85.91%0.00544%0.438CS..PPolyproline II helixtrans-79.2141.6177.5-60.4172.5000111.6E16 K17 V20 F38 V40 I48 K69L12-E16 WeakPolarHBondContact CA-OE2 3.23Å; L12-E16 HydrophobicContact CB-CB 4.05Å; L12-E16 HydrophobicContact CD2-CB 4.12Å; L12-K17 HydrophobicContact CB-CG 4Å; L12-K17 WeakPolarHBondContact O-CE 3.46Å; L12-K17 PolarHBondContact O-NZ 3.14Å; L12-V20 HydrophobicContact CD1-CG2 4.12Å; L12-F38 HydrophobicContact CD1-CB 4.47Å; L12-F38 HydrophobicContact CD2-CB 4.13Å; L12-F38 HydrophobicContact CD2-CD1 4.03Å; L12-F38 HydrophobicContact CD2-CG 4.47Å; L12-V40 HydrophobicContact CD1-CG1 4.02Å; L12-V40 HydrophobicContact CD1-CG2 4.25Å; L12-V40 HydrophobicContact CD2-CG1 3.95Å; L12-V40 HydrophobicContact CG-CG1 3.89Å; L12-I48 HydrophobicContact CD1-CD1 3.69Å; L12-K69 WeakPolarHBondContact O-CA 3.25Å
13S85.9Confident72.4Confident13 Ų1377.9 Ų77.99%0.09140%0.401CS..PPolyproline II helixtrans-68170.1170.365.90000111.9E16 K17 R68S13-E16 WeakPolarHBondContact CB-OE2 3.46Å; S13-E16 PolarHBondContact N-OE2 2.99Å; S13-E16 WeakPolarHBondContact OG-CB 3.48Å; S13-E16 VanDerWaalsContact OG-CD 3.26Å; S13-E16 WeakPolarHBondContact OG-CG 3.47Å; S13-E16 PolarHBondContact OG-N 3.49Å; S13-E16 VanDerWaalsContact OG-N 3.12Å; S13-E16 PolarHBondContact OG-OE2 3.29Å; S13-K17 WeakPolarHBondContact O-CB 3.35Å; S13-K17 WeakPolarHBondContact O-CD 3.43Å; S13-K17 WeakPolarHBondContact O-CG 3.29Å; S13-K17 PolarHBondContact O-N 2.61Å; S13-R68 CarbonylContact C-O 3.55Å; S13-R68 WeakPolarHBondContact CA-O 3.38Å
14L83.4Confident74.5Confident2 Ų271.6 Ų71.61%0.0137%0.368CS..Hα-helixtrans-63.2-45.4175.2179.166000110.1E16 K17 I18 L55 W59 A64 R66 R68L14-E16 PolarHBondContact O-N 3.32Å; L14-K17 WeakPolarHBondContact O-CB 3.49Å; L14-K17 PolarHBondContact O-N 2.93Å; L14-K17 VanDerWaalsContact O-N 3.16Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 3.07Å; L14-L55 HydrophobicContact CD1-CD2 3.71Å; L14-W59 HydrophobicContact CD2-CE3 4.05Å; L14-W59 HydrophobicContact CG-CE3 4.03Å; L14-A64 HydrophobicContact CD2-CB 3.93Å; L14-R66 WeakPolarHBondContact CB-O 3.08Å; L14-R66 PolarHBondContact N-O 3.21Å; L14-R68 HydrophobicContact CB-CG 4.14Å; L14-R68 PolarHBondContact N-O 3.19Å
15A84.8Confident76.4Confident23 Ų2371 Ų7119%0.1936%0.357CS..Hα-helixtrans-57.8-47.3176.200000112.5K17 I18 Q19 W59 R66A15-K17 VanDerWaalsContact C-N 3.29Å; A15-K17 PolarHBondContact O-N 3.45Å; A15-I18 PolarHBondContact O-N 3.04Å; A15-Q19 WeakPolarHBondContact O-CG 3.38Å; A15-Q19 PolarHBondContact O-N 3.26Å; A15-W59 HydrophobicContact CB-CH2 4.16Å; A15-W59 HydrophobicContact CB-CZ3 3.99Å; A15-R66 HydrophobicContact CB-CB 4.48Å; A15-R66 PolarHBondContact N-O 3.4Å
16E87.1Confident77.9Confident56 Ų5673.4 Ų73.426%0.26236%0.356SS..Hα-helixtrans-64.1-34.1177.2-71.7163.1153.100112.1L12 S13 L14 Q19 V20 F38L12-E16 WeakPolarHBondContact CA-OE2 3.23Å; L12-E16 HydrophobicContact CB-CB 4.05Å; L12-E16 HydrophobicContact CD2-CB 4.12Å; S13-E16 WeakPolarHBondContact CB-OE2 3.46Å; S13-E16 PolarHBondContact N-OE2 2.99Å; S13-E16 WeakPolarHBondContact OG-CB 3.48Å; S13-E16 VanDerWaalsContact OG-CD 3.26Å; S13-E16 WeakPolarHBondContact OG-CG 3.47Å; S13-E16 PolarHBondContact OG-N 3.49Å; S13-E16 VanDerWaalsContact OG-N 3.12Å; S13-E16 PolarHBondContact OG-OE2 3.29Å; L14-E16 PolarHBondContact O-N 3.32Å; E16-Q19 PolarHBondContact O-N 3.49Å; E16-V20 VanDerWaalsContact O-CG2 3.3Å; E16-V20 WeakPolarHBondContact O-CG2 3.41Å; E16-V20 PolarHBondContact O-N 3.18Å; E16-F38 HydrophobicContact CB-CE1 4.38Å
17K89.4Confident78.8Confident38 Ų3867 Ų6717%0.16534%0.336CS..Hα-helixtrans-68.3-35.7174.8-72.1166.3-172.1152.40112.4L12 S13 L14 A15 V20 L21 I48 L55 K69L12-K17 HydrophobicContact CB-CG 4Å; L12-K17 WeakPolarHBondContact O-CE 3.46Å; L12-K17 PolarHBondContact O-NZ 3.14Å; S13-K17 WeakPolarHBondContact O-CB 3.35Å; S13-K17 WeakPolarHBondContact O-CD 3.43Å; S13-K17 WeakPolarHBondContact O-CG 3.29Å; S13-K17 PolarHBondContact O-N 2.61Å; L14-K17 WeakPolarHBondContact O-CB 3.49Å; L14-K17 PolarHBondContact O-N 2.93Å; L14-K17 VanDerWaalsContact O-N 3.16Å; A15-K17 VanDerWaalsContact C-N 3.29Å; A15-K17 PolarHBondContact O-N 3.45Å; K17-V20 PolarHBondContact O-N 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.45Å; K17-L21 PolarHBondContact O-N 3.47Å; K17-I48 HydrophobicContact CB-CG2 4.17Å; K17-I48 HydrophobicContact CG-CD1 3.85Å; K17-I48 HydrophobicContact CG-CG1 4.02Å; K17-I48 HydrophobicContact CG-CG2 4.4Å; K17-L55 HydrophobicContact CB-CD1 4.25Å; K17-L55 HydrophobicContact CD-CD1 4.47Å; K17-L55 HydrophobicContact CD-CD2 4.07Å; K17-K69 PolarHBondContact NZ-O 2.94Å
18I87.8Confident79.6Confident5 Ų567 Ų673%0.02634%0.335CS..Hα-helixtrans-67.9-44.5173.9-62.7-51.5000110.1L14 A15 V20 L21 E22 L55 L56 W59L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 3.07Å; A15-I18 PolarHBondContact O-N 3.04Å; I18-V20 VanDerWaalsContact C-N 3.28Å; I18-V20 PolarHBondContact O-N 3.24Å; I18-L21 HydrophobicContact CD1-CD1 4.2Å; I18-L21 WeakPolarHBondContact O-CA 3.49Å; I18-L21 WeakPolarHBondContact O-CB 3.31Å; I18-L21 PolarHBondContact O-N 2.7Å; I18-E22 HydrophobicContact CG2-CG 4.39Å; I18-E22 WeakPolarHBondContact CG2-OE1 3.47Å; I18-E22 WeakPolarHBondContact O-CG 3.49Å; I18-E22 PolarHBondContact O-N 3.03Å; I18-L55 HydrophobicContact CD1-CB 4.05Å; I18-L56 HydrophobicContact CD1-CD2 4.13Å; I18-W59 HydrophobicContact CD1-CB 4.13Å; I18-W59 HydrophobicContact CD1-CG 4.4Å; I18-W59 HydrophobicContact CG1-CB 4.18Å; I18-W59 HydrophobicContact CG1-CD2 3.86Å; I18-W59 HydrophobicContact CG1-CE3 3.85Å; I18-W59 HydrophobicContact CG1-CG 4.02Å; I18-W59 HydrophobicContact CG1-CZ3 4.46Å
19Q86.6Confident81Confident93 Ų9359.6 Ų59.644%0.43531%0.305SS..Hα-helixtrans-59.7-36.4174.3-70.5175.17.400113.1A15 E16 L21 E22 L23 F38A15-Q19 WeakPolarHBondContact O-CG 3.38Å; A15-Q19 PolarHBondContact O-N 3.26Å; E16-Q19 PolarHBondContact O-N 3.49Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 3.3Å; Q19-E22 PolarHBondContact O-N 3.05Å; Q19-L23 WeakPolarHBondContact O-CB 3.41Å; Q19-L23 VanDerWaalsContact O-CG 3.31Å; Q19-L23 WeakPolarHBondContact O-CG 3.48Å; Q19-L23 PolarHBondContact O-N 2.91Å; Q19-F38 HydrophobicContact CB-CZ 4.13Å
20V87.7Confident82.2Confident0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-60.5-41.1172.1161.70000111.4L12 E16 K17 I18 L24 V34 F38 I45 I48L12-V20 HydrophobicContact CD1-CG2 4.12Å; E16-V20 VanDerWaalsContact O-CG2 3.3Å; E16-V20 WeakPolarHBondContact O-CG2 3.41Å; E16-V20 PolarHBondContact O-N 3.18Å; K17-V20 PolarHBondContact O-N 3.29Å; I18-V20 VanDerWaalsContact C-N 3.28Å; I18-V20 PolarHBondContact O-N 3.24Å; V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 WeakPolarHBondContact O-CB 3.47Å; V20-L24 WeakPolarHBondContact O-CD1 3.48Å; V20-L24 VanDerWaalsContact O-CG 3.23Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 2.8Å; V20-V34 HydrophobicContact CB-CG1 4.45Å; V20-V34 HydrophobicContact CG1-CG1 4.07Å; V20-V34 HydrophobicContact CG2-CG1 4.11Å; V20-F38 HydrophobicContact CG2-CD1 4.17Å; V20-F38 HydrophobicContact CG2-CD2 3.61Å; V20-F38 HydrophobicContact CG2-CE1 4.1Å; V20-F38 HydrophobicContact CG2-CE2 3.53Å; V20-F38 HydrophobicContact CG2-CG 3.94Å; V20-F38 HydrophobicContact CG2-CZ 3.78Å; V20-I45 HydrophobicContact CG1-CD1 3.83Å; V20-I45 HydrophobicContact CG1-CG2 4.13Å; V20-I45 HydrophobicContact CG2-CD1 4.02Å; V20-I48 HydrophobicContact CG1-CD1 4.5Å; V20-I48 HydrophobicContact CG1-CG2 4.06Å
21L86.9Confident82.7Confident7 Ų754.7 Ų54.74%0.03729%0.286CS..Hα-helixtrans-69.7-43.1178.4-66.5166.9000111.1K17 I18 Q19 L24 D25 I48 K52 L55K17-L21 WeakPolarHBondContact O-CG 3.45Å; K17-L21 PolarHBondContact O-N 3.47Å; I18-L21 HydrophobicContact CD1-CD1 4.2Å; I18-L21 WeakPolarHBondContact O-CA 3.49Å; I18-L21 WeakPolarHBondContact O-CB 3.31Å; I18-L21 PolarHBondContact O-N 2.7Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 3Å; L21-D25 WeakPolarHBondContact O-CB 3.46Å; L21-D25 PolarHBondContact O-N 2.85Å; L21-I48 HydrophobicContact CD2-CG2 4.15Å; L21-I48 HydrophobicContact CG-CG2 4.12Å; L21-K52 HydrophobicContact CD1-CB 4.35Å; L21-K52 HydrophobicContact CD1-CG 4.05Å; L21-K52 HydrophobicContact CD2-CB 4Å; L21-K52 HydrophobicContact CD2-CD 4.18Å; L21-K52 HydrophobicContact CD2-CG 3.96Å; L21-L55 HydrophobicContact CD1-CB 4.45Å; L21-L55 HydrophobicContact CD1-CD1 4.33Å
22E85.8Confident82.8Confident90 Ų9056.2 Ų56.242%0.42129%0.294SS..Hα-helixtrans-58.9-47.4175.3-70.1168.1176.800111.4I18 Q19 L24 D25 E26I18-E22 HydrophobicContact CG2-CG 4.39Å; I18-E22 WeakPolarHBondContact CG2-OE1 3.47Å; I18-E22 WeakPolarHBondContact O-CG 3.49Å; I18-E22 PolarHBondContact O-N 3.03Å; Q19-E22 PolarHBondContact O-N 3.05Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3Å; E22-D25 PolarHBondContact O-N 2.85Å; E22-E26 WeakPolarHBondContact O-CB 3.36Å; E22-E26 WeakPolarHBondContact O-CG 3.42Å; E22-E26 PolarHBondContact O-N 3.17Å
23L84.8Confident82.7Confident30 Ų3059 Ų5916%0.15731%0.307CS..Hα-helixtrans-66.1-30.5179.2-74.5168.4000113.5Q19 S27 F38Q19-L23 WeakPolarHBondContact O-CB 3.41Å; Q19-L23 VanDerWaalsContact O-CG 3.31Å; Q19-L23 WeakPolarHBondContact O-CG 3.48Å; Q19-L23 PolarHBondContact O-N 2.91Å; L23-S27 VanDerWaalsContact O-CB 3.29Å; L23-S27 WeakPolarHBondContact O-CB 3.47Å; L23-S27 PolarHBondContact O-N 3.46Å; L23-F38 HydrophobicContact CD1-CE2 3.58Å; L23-F38 HydrophobicContact CD1-CZ 3.81Å
24L84.2Confident82.7Confident32 Ų3258.4 Ų58.417%0.16830%0.302CS..Hα-helixtrans-76-35175.5-73.8170.7000112.2V20 L21 E22 M29 Q31 V34 I45 C49V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 WeakPolarHBondContact O-CB 3.47Å; V20-L24 WeakPolarHBondContact O-CD1 3.48Å; V20-L24 VanDerWaalsContact O-CG 3.23Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 2.8Å; L21-L24 PolarHBondContact O-N 3Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-L24 PolarHBondContact O-N 3Å; L24-M29 WeakPolarHBondContact CD2-O 3.39Å; L24-Q31 HydrophobicContact CD2-CG 4.19Å; L24-V34 HydrophobicContact CD2-CB 4.36Å; L24-V34 HydrophobicContact CD2-CG2 3.69Å; L24-V34 HydrophobicContact CG-CG2 4.14Å; L24-I45 HydrophobicContact CD1-CG2 3.87Å; L24-C49 WeakPolarHBondContact CD1-SG 3.33Å
25D80.3Confident82.8Confident103 Ų10358.5 Ų58.555%0.55130%0.304SS*.Hα-helixtrans-79.3-45.3179.5-73.9-13.5000111.8L21 E22 K52L21-D25 WeakPolarHBondContact O-CB 3.46Å; L21-D25 PolarHBondContact O-N 2.85Å; E22-D25 PolarHBondContact O-N 2.85Å; D25-K52 VanDerWaalsContact CG-NZ 3.26Å; D25-K52 IonicContact OD1-NZ 2.69Å; D25-K52 PolarHBondContact OD1-NZ 2.99Å; D25-K52 WeakPolarHBondContact OD2-CE 3.34Å; D25-K52 IonicContact OD2-NZ 2.85Å; D25-K52 PolarHBondContact OD2-NZ 3.35Å
26E73.4Confident82.8Confident159 Ų15965.7 Ų65.774%0.74333%0.326SS*.Hα-helixtrans-85.9-41.1-173.3-65.7-177.5169.300113.6E22E22-E26 WeakPolarHBondContact O-CB 3.36Å; E22-E26 WeakPolarHBondContact O-CG 3.42Å; E22-E26 PolarHBondContact O-N 3.17Å
27S63.5Low82.7Confident62 Ų6270.4 Ų70.443%0.43434%0.341SS..SBendtrans-98.61.4-167.7-52.30000114.3L23 M29L23-S27 VanDerWaalsContact O-CB 3.29Å; L23-S27 WeakPolarHBondContact O-CB 3.47Å; L23-S27 PolarHBondContact O-N 3.46Å; S27-M29 PolarHBondContact O-N 2.88Å
28K68.6Low82.4Confident197 Ų19769.9 Ų69.986%0.85734%0.339SS*.  trans44.628.1-173.4-67.5-174.1-180178.50114.2
29M79.2Confident82.3Confident55 Ų5577.6 Ų77.627%0.27138%0.375SS..  trans-71.5145.1-179.4-63.8-174.39900110.1L24 S27 E33 V34L24-M29 WeakPolarHBondContact CD2-O 3.39Å; S27-M29 PolarHBondContact O-N 2.88Å; M29-E33 HydrophobicContact CE-CG 3.53Å; M29-V34 HydrophobicContact CB-CG2 3.83Å
30S84.4Confident82.3Confident71 Ų7174.1 Ų74.150%0.49736%0.36SS..  trans-68.3150.9174.777.70000111S32 E33 V34S30-S32 PolarHBondContact O-N 3.49Å; S30-S32 VanDerWaalsContact O-N 3.14Å; S30-E33 WeakPolarHBondContact O-CB 3.45Å; S30-E33 PolarHBondContact O-N 3.11Å; S30-E33 PolarHBondContact OG-N 3.37Å; S30-V34 PolarHBondContact O-N 2.9Å; S30-V34 VanDerWaalsContact O-N 3.07Å
31Q86Confident82.2Confident66 Ų6677 Ų7731%0.30838%0.38SS..Hα-helixtrans-57.7-30.6177.7-68.6-178-1300112.9L24 A35 Q42 I45L24-Q31 HydrophobicContact CD2-CG 4.19Å; Q31-A35 WeakPolarHBondContact O-CB 3.27Å; Q31-A35 PolarHBondContact O-N 3.46Å; Q31-Q42 HydrophobicContact CB-CG 4.07Å; Q31-I45 HydrophobicContact CB-CG2 4.15Å; Q31-I45 HydrophobicContact CG-CG2 4.14Å
32S83.3Confident82.3Confident78 Ų7880.2 Ų80.255%0.54540%0.395SS..Hα-helixtrans-67.9-38.1176-580000112.2S30 A35 R36S30-S32 PolarHBondContact O-N 3.49Å; S30-S32 VanDerWaalsContact O-N 3.14Å; S32-A35 PolarHBondContact O-N 2.95Å; S32-R36 PolarHBondContact O-N 2.91Å; S32-R36 VanDerWaalsContact O-N 3.07Å
33E82.9Confident82.4Confident59 Ų5979.2 Ų79.228%0.27640%0.396SS..Hα-helixtrans-71.7-42.1178.7-17555.2-15300111.4M29 S30 A35 R36 R37M29-E33 HydrophobicContact CE-CG 3.53Å; S30-E33 WeakPolarHBondContact O-CB 3.45Å; S30-E33 PolarHBondContact O-N 3.11Å; S30-E33 PolarHBondContact OG-N 3.37Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 2.95Å; E33-R36 VanDerWaalsContact CD-NH2 3.26Å; E33-R36 WeakPolarHBondContact O-CB 3.45Å; E33-R36 PolarHBondContact O-N 3.38Å; E33-R36 IonicContact OE1-CZ 3.94Å; E33-R36 IonicContact OE1-NE 2.97Å; E33-R36 IonicContact OE1-NH2 3.95Å; E33-R36 PolarHBondContact OE1-NH2 3.46Å; E33-R36 IonicContact OE2-CZ 2.92Å; E33-R36 IonicContact OE2-NE 2.63Å; E33-R36 PolarHBondContact OE2-NE 3.35Å; E33-R36 IonicContact OE2-NH2 3.17Å; E33-R36 PolarHBondContact OE2-NH2 3.16Å; E33-R37 PolarHBondContact O-N 3.26Å
34V86.2Confident82.4Confident0 Ų079.4 Ų79.40%040%0.397CS..Hα-helixtrans-63.9-41.3173.3179.40000110.9V20 L24 M29 S30 R36 R37 F38 I45V20-V34 HydrophobicContact CB-CG1 4.45Å; V20-V34 HydrophobicContact CG1-CG1 4.07Å; V20-V34 HydrophobicContact CG2-CG1 4.11Å; L24-V34 HydrophobicContact CD2-CB 4.36Å; L24-V34 HydrophobicContact CD2-CG2 3.69Å; L24-V34 HydrophobicContact CG-CG2 4.14Å; M29-V34 HydrophobicContact CB-CG2 3.83Å; S30-V34 PolarHBondContact O-N 2.9Å; S30-V34 VanDerWaalsContact O-N 3.07Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 3.05Å; V34-R37 PolarHBondContact O-N 2.97Å; V34-F38 HydrophobicContact CG1-CD2 3.79Å; V34-F38 HydrophobicContact CG1-CE2 3.95Å; V34-F38 WeakPolarHBondContact O-CD2 3.3Å; V34-F38 PolarHBondContact O-N 3.17Å; V34-I45 HydrophobicContact CG1-CD1 4.08Å
35A86.3Confident82.6Confident5 Ų577.9 Ų77.94%0.04139%0.389CS..Hα-helixtrans-58.5-41.2175.500000112.2Q31 S32 E33 Q39 V40 Q42 I45Q31-A35 WeakPolarHBondContact O-CB 3.27Å; Q31-A35 PolarHBondContact O-N 3.46Å; S32-A35 PolarHBondContact O-N 2.95Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 2.95Å; A35-Q39 PolarHBondContact O-N 3.17Å; A35-V40 CarbonylContact C-O 3.56Å; A35-V40 HydrophobicContact CB-CG2 4.47Å; A35-V40 WeakPolarHBondContact CB-O 3.39Å; A35-V40 PolarHBondContact O-N 3.3Å; A35-V40 VanDerWaalsContact O-O 3.13Å; A35-Q42 HydrophobicContact CB-CB 4.22Å; A35-I45 HydrophobicContact CB-CG1 3.8Å
36R84.9Confident83Confident173 Ų17374.7 Ų74.765%0.65337%0.374SS*.Hα-helixtrans-63.6-45.7175.2-173.1175.269.3146.72.7111.9S32 E33 V34 F38 Q39S32-R36 PolarHBondContact O-N 2.91Å; S32-R36 VanDerWaalsContact O-N 3.07Å; E33-R36 VanDerWaalsContact CD-NH2 3.26Å; E33-R36 WeakPolarHBondContact O-CB 3.45Å; E33-R36 PolarHBondContact O-N 3.38Å; E33-R36 IonicContact OE1-CZ 3.94Å; E33-R36 IonicContact OE1-NE 2.97Å; E33-R36 IonicContact OE1-NH2 3.95Å; E33-R36 PolarHBondContact OE1-NH2 3.46Å; E33-R36 IonicContact OE2-CZ 2.92Å; E33-R36 IonicContact OE2-NE 2.63Å; E33-R36 PolarHBondContact OE2-NE 3.35Å; E33-R36 IonicContact OE2-NH2 3.17Å; E33-R36 PolarHBondContact OE2-NH2 3.16Å; V34-R36 VanDerWaalsContact C-N 3.29Å; V34-R36 PolarHBondContact O-N 3.05Å; R36-F38 PolarHBondContact O-N 3Å; R36-Q39 PolarHBondContact O-N 3.26Å; R36-Q39 VanDerWaalsContact O-N 3.14Å
37R84.4Confident83.7Confident155 Ų15575.5 Ų75.559%0.58537%0.371SS*.Hα-helixtrans-61.5-40.6-178.9-169.7172.7-177.7167.5-0.7112.9E33 V34E33-R37 PolarHBondContact O-N 3.26Å; V34-R37 PolarHBondContact O-N 2.97Å
38F84.4Confident84.9Confident27 Ų2773 Ų7312%0.11835%0.352CS..THydrogen-bonded Turntrans-90.63.4177.7-72.7-87.9000113.6L12 E16 Q19 V20 L23 V34 R36 V40L12-F38 HydrophobicContact CD1-CB 4.47Å; L12-F38 HydrophobicContact CD2-CB 4.13Å; L12-F38 HydrophobicContact CD2-CD1 4.03Å; L12-F38 HydrophobicContact CD2-CG 4.47Å; E16-F38 HydrophobicContact CB-CE1 4.38Å; Q19-F38 HydrophobicContact CB-CZ 4.13Å; V20-F38 HydrophobicContact CG2-CD1 4.17Å; V20-F38 HydrophobicContact CG2-CD2 3.61Å; V20-F38 HydrophobicContact CG2-CE1 4.1Å; V20-F38 HydrophobicContact CG2-CE2 3.53Å; V20-F38 HydrophobicContact CG2-CG 3.94Å; V20-F38 HydrophobicContact CG2-CZ 3.78Å; L23-F38 HydrophobicContact CD1-CE2 3.58Å; L23-F38 HydrophobicContact CD1-CZ 3.81Å; V34-F38 HydrophobicContact CG1-CD2 3.79Å; V34-F38 HydrophobicContact CG1-CE2 3.95Å; V34-F38 WeakPolarHBondContact O-CD2 3.3Å; V34-F38 PolarHBondContact O-N 3.17Å; R36-F38 PolarHBondContact O-N 3Å; F38-V40 VanDerWaalsContact C-N 3.27Å; F38-V40 HydrophobicContact CB-CG2 4.11Å; F38-V40 WeakPolarHBondContact O-CG1 3.47Å; F38-V40 PolarHBondContact O-N 3.37Å
39Q85.1Confident85.7Confident167 Ų16765.5 Ų65.578%0.7832%0.324SS*.THydrogen-bonded Turntrans53.340.9-177.8-54.1-177.725.700113.6A35 R36A35-Q39 PolarHBondContact O-N 3.17Å; R36-Q39 PolarHBondContact O-N 3.26Å; R36-Q39 VanDerWaalsContact O-N 3.14Å
40V87.1Confident86.2Confident20 Ų2071.1 Ų71.112%0.12135%0.347CS..  trans-120.8169.3178.5-62.80000111.3H10 L12 A35 F38 Q44 I45H10-V40 HydrophobicContact CB-CG1 4.4Å; L12-V40 HydrophobicContact CD1-CG1 4.02Å; L12-V40 HydrophobicContact CD1-CG2 4.25Å; L12-V40 HydrophobicContact CD2-CG1 3.95Å; L12-V40 HydrophobicContact CG-CG1 3.89Å; A35-V40 CarbonylContact C-O 3.56Å; A35-V40 HydrophobicContact CB-CG2 4.47Å; A35-V40 WeakPolarHBondContact CB-O 3.39Å; A35-V40 PolarHBondContact O-N 3.3Å; A35-V40 VanDerWaalsContact O-O 3.13Å; F38-V40 VanDerWaalsContact C-N 3.27Å; F38-V40 HydrophobicContact CB-CG2 4.11Å; F38-V40 WeakPolarHBondContact O-CG1 3.47Å; F38-V40 PolarHBondContact O-N 3.37Å; V40-Q44 HydrophobicContact CB-CB 4.44Å; V40-Q44 HydrophobicContact CB-CG 4.39Å; V40-Q44 VanDerWaalsContact CG1-NE2 3.31Å; V40-I45 HydrophobicContact CG2-CD1 3.48Å; V40-I45 VanDerWaalsContact CG2-CD1 3.48Å; V40-I45 HydrophobicContact CG2-CG1 3.85Å
41S85.6Confident86.4Confident60 Ų6071.6 Ų71.642%0.4234%0.344SS..  trans-76.2144.7175.271.50000111.4P43 Q44 I45S41-P43 VanDerWaalsContact C-CD 3.47Å; S41-P43 VanDerWaalsContact C-N 3.28Å; S41-Q44 WeakPolarHBondContact O-CA 3.39Å; S41-Q44 VanDerWaalsContact O-CB 3.25Å; S41-Q44 WeakPolarHBondContact O-CB 3.2Å; S41-Q44 PolarHBondContact O-N 3.06Å; S41-Q44 PolarHBondContact OG-N 3.4Å; S41-I45 PolarHBondContact O-N 3.5Å
42Q87.7Confident86.4Confident75 Ų7571.6 Ų71.635%0.3534%0.343SS..Hα-helixtrans-54.7-37.9174.2-176.6-80.4-13.200113Q31 A35 Q44 I45 S46Q31-Q42 HydrophobicContact CB-CG 4.07Å; A35-Q42 HydrophobicContact CB-CB 4.22Å; Q42-Q44 PolarHBondContact O-N 3.21Å; Q42-I45 PolarHBondContact O-N 2.95Å; Q42-I45 VanDerWaalsContact O-N 3.12Å; Q42-S46 PolarHBondContact O-N 3.34Å
43P88.6Confident86.4Confident69 Ų6976 Ų7645%0.44835%0.354SS..Hα-helixtrans-58.8-30.4172.3-29.136.5000114.4S41 R47S41-P43 VanDerWaalsContact C-CD 3.47Å; S41-P43 VanDerWaalsContact C-N 3.28Å; P43-R47 WeakPolarHBondContact O-CG 3.42Å; P43-R47 PolarHBondContact O-N 3Å
44Q84.9Confident86.4Confident35 Ų3580.4 Ų80.416%0.16437%0.373CS..Hα-helixtrans-69.7-40.5175.8-178.6172.4-2800111.6H10 V40 S41 Q42 R47 I48H10-Q44 PolarHBondContact O-NE2 3.38Å; H10-Q44 PolarHBondContact O-OE1 3.25Å; V40-Q44 HydrophobicContact CB-CB 4.44Å; V40-Q44 HydrophobicContact CB-CG 4.39Å; V40-Q44 VanDerWaalsContact CG1-NE2 3.31Å; S41-Q44 WeakPolarHBondContact O-CA 3.39Å; S41-Q44 VanDerWaalsContact O-CB 3.25Å; S41-Q44 WeakPolarHBondContact O-CB 3.2Å; S41-Q44 PolarHBondContact O-N 3.06Å; S41-Q44 PolarHBondContact OG-N 3.4Å; Q42-Q44 PolarHBondContact O-N 3.21Å; Q44-R47 PolarHBondContact O-N 3.09Å; Q44-I48 HydrophobicContact CG-CD1 4.4Å; Q44-I48 WeakPolarHBondContact O-CG1 3.38Å; Q44-I48 PolarHBondContact O-N 3.37Å; Q44-I48 VanDerWaalsContact O-N 3.09Å
45I89.1Confident86.3Confident0 Ų081.4 Ų81.40%038%0.378CS..Hα-helixtrans-63.1-44173-58.8-58.5000110.8V20 L24 Q31 V34 A35 V40 S41 Q42 R47 I48 C49V20-I45 HydrophobicContact CG1-CD1 3.83Å; V20-I45 HydrophobicContact CG1-CG2 4.13Å; V20-I45 HydrophobicContact CG2-CD1 4.02Å; L24-I45 HydrophobicContact CD1-CG2 3.87Å; Q31-I45 HydrophobicContact CB-CG2 4.15Å; Q31-I45 HydrophobicContact CG-CG2 4.14Å; V34-I45 HydrophobicContact CG1-CD1 4.08Å; A35-I45 HydrophobicContact CB-CG1 3.8Å; V40-I45 HydrophobicContact CG2-CD1 3.48Å; V40-I45 VanDerWaalsContact CG2-CD1 3.48Å; V40-I45 HydrophobicContact CG2-CG1 3.85Å; S41-I45 PolarHBondContact O-N 3.5Å; Q42-I45 PolarHBondContact O-N 2.95Å; Q42-I45 VanDerWaalsContact O-N 3.12Å; I45-R47 VanDerWaalsContact C-N 3.32Å; I45-R47 PolarHBondContact O-N 3.06Å; I45-I48 HydrophobicContact CD1-CD1 4.42Å; I45-I48 WeakPolarHBondContact O-CB 3.35Å; I45-I48 PolarHBondContact O-N 3.46Å; I45-I48 VanDerWaalsContact O-N 3.09Å; I45-C49 PolarHBondContact O-N 3.43Å; I45-C49 PolarHBondContact O-SG 3.2Å
46S88.5Confident86Confident35 Ų3584.3 Ų84.325%0.24539%0.393CS..Hα-helixtrans-58.5-42175.6-177.50000112.3Q42 I48 C49 K50Q42-S46 PolarHBondContact O-N 3.34Å; S46-I48 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.25Å; S46-C49 PolarHBondContact O-N 3.02Å; S46-K50 WeakPolarHBondContact O-CG 3.46Å; S46-K50 PolarHBondContact O-N 3.36Å
47R87.2Confident85.8Confident177 Ų17779.1 Ų79.167%0.66839%0.387SS*.Hα-helixtrans-65.6-32.2175.1-73.5173.4-174178.12.1113.4P43 Q44 I45 N51P43-R47 WeakPolarHBondContact O-CG 3.42Å; P43-R47 PolarHBondContact O-N 3Å; Q44-R47 PolarHBondContact O-N 3.09Å; I45-R47 VanDerWaalsContact C-N 3.32Å; I45-R47 PolarHBondContact O-N 3.06Å; R47-N51 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-ND2 2.9Å
48I88.2Confident85.4Confident9 Ų973.4 Ų73.45%0.04637%0.368CS..Hα-helixtrans-67.5-46175-69.8162.5000109.6L12 K17 V20 L21 Q44 I45 S46 K50 N51 K52 L55L12-I48 HydrophobicContact CD1-CD1 3.69Å; K17-I48 HydrophobicContact CB-CG2 4.17Å; K17-I48 HydrophobicContact CG-CD1 3.85Å; K17-I48 HydrophobicContact CG-CG1 4.02Å; K17-I48 HydrophobicContact CG-CG2 4.4Å; V20-I48 HydrophobicContact CG1-CD1 4.5Å; V20-I48 HydrophobicContact CG1-CG2 4.06Å; L21-I48 HydrophobicContact CD2-CG2 4.15Å; L21-I48 HydrophobicContact CG-CG2 4.12Å; Q44-I48 HydrophobicContact CG-CD1 4.4Å; Q44-I48 WeakPolarHBondContact O-CG1 3.38Å; Q44-I48 PolarHBondContact O-N 3.37Å; Q44-I48 VanDerWaalsContact O-N 3.09Å; I45-I48 HydrophobicContact CD1-CD1 4.42Å; I45-I48 WeakPolarHBondContact O-CB 3.35Å; I45-I48 PolarHBondContact O-N 3.46Å; I45-I48 VanDerWaalsContact O-N 3.09Å; S46-I48 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.25Å; I48-K50 VanDerWaalsContact C-N 3.33Å; I48-K50 PolarHBondContact O-N 3.06Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 2.94Å; I48-K52 PolarHBondContact O-N 2.94Å; I48-L55 HydrophobicContact CG2-CD1 3.94Å
49C86.4Confident85.1Confident39 Ų3975.6 Ų75.626%0.26438%0.375SS..Hα-helixtrans-58.4-43.6176.6-60.80000112.1L24 I45 S46 N51 K52L24-C49 WeakPolarHBondContact CD1-SG 3.33Å; I45-C49 PolarHBondContact O-N 3.43Å; I45-C49 PolarHBondContact O-SG 3.2Å; S46-C49 PolarHBondContact O-N 3.02Å; C49-N51 PolarHBondContact O-N 3.48Å; C49-K52 VanDerWaalsContact O-CB 3.27Å; C49-K52 WeakPolarHBondContact O-CB 3.49Å; C49-K52 PolarHBondContact O-N 2.69Å
50K89.9Confident84.5Confident174 Ų17472.6 Ų72.676%0.75737%0.371SS*.Hα-helixtrans-62.4-24.2177.3-72.7-175.3-179.2-170.80113.9S46 I48S46-K50 WeakPolarHBondContact O-CG 3.46Å; S46-K50 PolarHBondContact O-N 3.36Å; I48-K50 VanDerWaalsContact C-N 3.33Å; I48-K50 PolarHBondContact O-N 3.06Å
51N87.1Confident83.6Confident80 Ų8074.5 Ų74.543%0.42839%0.386SS..THydrogen-bonded Turntrans-105.317.2179.7-68.7-54.8000112.8R47 I48 C49 E53 K54 L55R47-N51 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-ND2 2.9Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 2.94Å; C49-N51 PolarHBondContact O-N 3.48Å; N51-E53 PolarHBondContact O-N 3.46Å; N51-K54 PolarHBondContact O-N 3.25Å; N51-L55 HydrophobicContact CB-CD1 4.31Å; N51-L55 HydrophobicContact CB-CG 4.45Å; N51-L55 WeakPolarHBondContact O-CG 3.37Å; N51-L55 PolarHBondContact O-N 3.07Å
52K86.1Confident82.5Confident67 Ų6774.6 Ų74.629%0.29140%0.396SS..Hα-helixtrans-49-55-174.3176.7173.9-173.4173.70113L21 D25 I48 C49 K54 L55 L56L21-K52 HydrophobicContact CD1-CB 4.35Å; L21-K52 HydrophobicContact CD1-CG 4.05Å; L21-K52 HydrophobicContact CD2-CB 4Å; L21-K52 HydrophobicContact CD2-CD 4.18Å; L21-K52 HydrophobicContact CD2-CG 3.96Å; D25-K52 VanDerWaalsContact CG-NZ 3.26Å; D25-K52 IonicContact OD1-NZ 2.69Å; D25-K52 PolarHBondContact OD1-NZ 2.99Å; D25-K52 WeakPolarHBondContact OD2-CE 3.34Å; D25-K52 IonicContact OD2-NZ 2.85Å; D25-K52 PolarHBondContact OD2-NZ 3.35Å; I48-K52 PolarHBondContact O-N 2.94Å; C49-K52 VanDerWaalsContact O-CB 3.27Å; C49-K52 WeakPolarHBondContact O-CB 3.49Å; C49-K52 PolarHBondContact O-N 2.69Å; K52-K54 PolarHBondContact O-N 3.46Å; K52-L55 PolarHBondContact O-N 2.9Å; K52-L55 VanDerWaalsContact O-N 3.16Å; K52-L56 HydrophobicContact CG-CD1 3.86Å; K52-L56 WeakPolarHBondContact O-CG 3.25Å; K52-L56 PolarHBondContact O-N 3.26Å
53E83.6Confident81.3Confident169 Ų16973 Ų7379%0.7939%0.392SS*.Hα-helixtrans-59.5-44.2-176.4-66174.4-177.500112.6N51 L55 L56 A57N51-E53 PolarHBondContact O-N 3.46Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.96Å; E53-L56 PolarHBondContact O-N 3.47Å; E53-A57 WeakPolarHBondContact O-CB 3.47Å; E53-A57 PolarHBondContact O-N 3.01Å
54K83.7Confident80.3Confident153 Ų15370.6 Ų70.667%0.66538%0.377SS*.Hα-helixtrans-65.5-37.2178.1-68.1-176.5178.7-179.30112.3N51 K52 D58N51-K54 PolarHBondContact O-N 3.25Å; K52-K54 PolarHBondContact O-N 3.46Å; K54-D58 WeakPolarHBondContact O-CB 3.17Å; K54-D58 PolarHBondContact O-N 3.28Å
55L83.7Confident79.7Confident21 Ų2170.1 Ų70.111%0.1138%0.376CS..Hα-helixtrans-69.5-40.2177.9-69.1168.7000111.5L14 K17 I18 L21 I48 N51 K52 E53 W59L14-L55 HydrophobicContact CD1-CD2 3.71Å; K17-L55 HydrophobicContact CB-CD1 4.25Å; K17-L55 HydrophobicContact CD-CD1 4.47Å; K17-L55 HydrophobicContact CD-CD2 4.07Å; I18-L55 HydrophobicContact CD1-CB 4.05Å; L21-L55 HydrophobicContact CD1-CB 4.45Å; L21-L55 HydrophobicContact CD1-CD1 4.33Å; I48-L55 HydrophobicContact CG2-CD1 3.94Å; N51-L55 HydrophobicContact CB-CD1 4.31Å; N51-L55 HydrophobicContact CB-CG 4.45Å; N51-L55 WeakPolarHBondContact O-CG 3.37Å; N51-L55 PolarHBondContact O-N 3.07Å; K52-L55 PolarHBondContact O-N 2.9Å; K52-L55 VanDerWaalsContact O-N 3.16Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 2.96Å; L55-W59 WeakPolarHBondContact O-CB 3.42Å; L55-W59 PolarHBondContact O-N 3.1Å
56L80.9Confident79.2Confident66 Ų6677.2 Ų77.235%0.34640%0.403SS..Hα-helixtrans-67.4-43.6175.6-71171.6000111.8I18 K52 E53 D58 W59 C60I18-L56 HydrophobicContact CD1-CD2 4.13Å; K52-L56 HydrophobicContact CG-CD1 3.86Å; K52-L56 WeakPolarHBondContact O-CG 3.25Å; K52-L56 PolarHBondContact O-N 3.26Å; E53-L56 PolarHBondContact O-N 3.47Å; L56-D58 PolarHBondContact O-N 2.88Å; L56-W59 WeakPolarHBondContact O-CB 3.05Å; L56-W59 PolarHBondContact O-N 3.32Å; L56-W59 VanDerWaalsContact O-N 3.11Å; L56-C60 WeakPolarHBondContact O-CB 3.19Å; L56-C60 PolarHBondContact O-N 2.77Å; L56-C60 PolarHBondContact O-SG 3.15Å; L56-C60 VanDerWaalsContact O-SG 3.35Å
57A79Confident78.6Confident64 Ų6483 Ų8353%0.52943%0.426SS..Hα-helixtrans-60.8-45.317500000111.9E53 W59 C60 S61E53-A57 WeakPolarHBondContact O-CB 3.47Å; E53-A57 PolarHBondContact O-N 3.01Å; A57-W59 VanDerWaalsContact C-N 3.27Å; A57-W59 PolarHBondContact O-N 3.24Å; A57-C60 PolarHBondContact O-N 2.99Å; A57-S61 PolarHBondContact O-N 3.11Å; A57-S61 VanDerWaalsContact O-N 3.14Å
58D77.3Confident78.2Confident34 Ų3476.8 Ų76.818%0.18240%0.402CS..Hα-helixtrans-64-29.9174.3-84.1-3.8000112.1K54 L56 S61 A64 R68 K71K54-D58 WeakPolarHBondContact O-CB 3.17Å; K54-D58 PolarHBondContact O-N 3.28Å; L56-D58 PolarHBondContact O-N 2.88Å; D58-S61 PolarHBondContact O-OG 2.91Å; D58-A64 WeakPolarHBondContact O-CB 3.47Å; D58-R68 IonicContact OD2-CZ 3.05Å; D58-R68 IonicContact OD2-NH1 3.39Å; D58-R68 IonicContact OD2-NH2 2.65Å; D58-R68 PolarHBondContact OD2-NH2 3.04Å; D58-K71 IonicContact OD1-NZ 2.61Å; D58-K71 PolarHBondContact OD1-NZ 3.37Å; D58-K71 IonicContact OD2-NZ 3.58Å; D58-K71 PolarHBondContact OD2-NZ 3.47Å; D58-K71 VanDerWaalsContact OD2-NZ 3.08Å
59W77.6Confident77.9Confident73 Ų7381.5 Ų81.528%0.27742%0.423SS..Hα-helixtrans-75.6-44177.7-179.7-101.8000112.1L14 A15 I18 L55 L56 A57 S61 R66L14-W59 HydrophobicContact CD2-CE3 4.05Å; L14-W59 HydrophobicContact CG-CE3 4.03Å; A15-W59 HydrophobicContact CB-CH2 4.16Å; A15-W59 HydrophobicContact CB-CZ3 3.99Å; I18-W59 HydrophobicContact CD1-CB 4.13Å; I18-W59 HydrophobicContact CD1-CG 4.4Å; I18-W59 HydrophobicContact CG1-CB 4.18Å; I18-W59 HydrophobicContact CG1-CD2 3.86Å; I18-W59 HydrophobicContact CG1-CE3 3.85Å; I18-W59 HydrophobicContact CG1-CG 4.02Å; I18-W59 HydrophobicContact CG1-CZ3 4.46Å; L55-W59 WeakPolarHBondContact O-CB 3.42Å; L55-W59 PolarHBondContact O-N 3.1Å; L56-W59 WeakPolarHBondContact O-CB 3.05Å; L56-W59 PolarHBondContact O-N 3.32Å; L56-W59 VanDerWaalsContact O-N 3.11Å; A57-W59 VanDerWaalsContact C-N 3.27Å; A57-W59 PolarHBondContact O-N 3.24Å; W59-S61 VanDerWaalsContact C-N 3.27Å; W59-S61 PolarHBondContact O-N 3.46Å; W59-R66 HydrophobicContact CE3-CG 4.25Å; W59-R66 HydrophobicContact CH2-CB 4.49Å; W59-R66 HydrophobicContact CH2-CG 4.05Å; W59-R66 HydrophobicContact CZ3-CB 3.93Å; W59-R66 HydrophobicContact CZ3-CG 3.58Å
60C72Confident77.3Confident104 Ų10488.7 Ų88.770%0.70344%0.444SS*.Hα-helixtrans-73.1-16.1-179.7-66.60000113.4L56 A57 G62L56-C60 WeakPolarHBondContact O-CB 3.19Å; L56-C60 PolarHBondContact O-N 2.77Å; L56-C60 PolarHBondContact O-SG 3.15Å; L56-C60 VanDerWaalsContact O-SG 3.35Å; A57-C60 PolarHBondContact O-N 2.99Å; C60-G62 PolarHBondContact O-N 2.97Å
61S68.4Low76.4Confident61 Ų6185.9 Ų85.943%0.42743%0.432SS..THydrogen-bonded Turntrans-64.9-16.5178.582.90000113.9A57 D58 W59 T63A57-S61 PolarHBondContact O-N 3.11Å; A57-S61 VanDerWaalsContact O-N 3.14Å; D58-S61 PolarHBondContact O-OG 2.91Å; W59-S61 VanDerWaalsContact C-N 3.27Å; W59-S61 PolarHBondContact O-N 3.46Å; S61-T63 PolarHBondContact O-N 3.18Å; S61-T63 PolarHBondContact OG-N 2.92Å; S61-T63 PolarHBondContact OG-OG1 2.78Å
62G63.1Low75.5Confident61 Ų6191.1 Ų91.163%0.62945%0.446SS*.SBendtrans70.1-14.9-179.300000115.3C60C60-G62 PolarHBondContact O-N 2.97Å
63T63Low74.4Confident42 Ų4295.9 Ų95.926%0.25847%0.469SS..  trans-97.3-15.5-176.453.20000113.9S61 L84 N131S61-T63 PolarHBondContact O-N 3.18Å; S61-T63 PolarHBondContact OG-N 2.92Å; S61-T63 PolarHBondContact OG-OG1 2.78Å; T63-L84 HydrophobicContact CG2-CD2 4.31Å; T63-N131 CarbonylContact O-C 3.42Å
64A66.2Low73.7Confident18 Ų1889.1 Ų89.115%0.14944%0.441CS..SBendtrans-75.9130.6-178.400000112L14 D58 R66L14-A64 HydrophobicContact CD2-CB 3.93Å; D58-A64 WeakPolarHBondContact O-CB 3.47Å; A64-R66 PolarHBondContact O-N 3.46Å; A64-R66 VanDerWaalsContact O-N 3.11Å
65N72.4Confident73.1Confident25 Ų2590.3 Ų90.313%0.13445%0.446CS..  trans-60.7115.4169.3-178.7-24000110.6E67 R68 R129N65-E67 VanDerWaalsContact C-N 3.29Å; N65-E67 PolarHBondContact O-N 2.78Å; N65-E67 WeakPolarHBondContact OD1-CB 3.45Å; N65-E67 PolarHBondContact OD1-N 3.03Å; N65-R68 HydrophobicContact CB-CB 4.31Å; N65-R68 WeakPolarHBondContact O-CB 3.37Å; N65-R68 VanDerWaalsContact O-CD 3.23Å; N65-R68 WeakPolarHBondContact O-CD 3.33Å; N65-R68 WeakPolarHBondContact O-CG 3.32Å; N65-R68 PolarHBondContact O-N 2.94Å; N65-R129 WeakPolarHBondContact CB-O 3.38Å; N65-R129 PolarHBondContact ND2-O 2.98Å
66R78.1Confident73Confident149 Ų14991.6 Ų91.656%0.56245%0.449SS*.THydrogen-bonded Turntrans-66.9-27.7-176.2-62.6-176.1177.3-177-0.5113.4L14 A15 W59 A64 R68L14-R66 WeakPolarHBondContact CB-O 3.08Å; L14-R66 PolarHBondContact N-O 3.21Å; A15-R66 HydrophobicContact CB-CB 4.48Å; A15-R66 PolarHBondContact N-O 3.4Å; W59-R66 HydrophobicContact CE3-CG 4.25Å; W59-R66 HydrophobicContact CH2-CB 4.49Å; W59-R66 HydrophobicContact CH2-CG 4.05Å; W59-R66 HydrophobicContact CZ3-CB 3.93Å; W59-R66 HydrophobicContact CZ3-CG 3.58Å; A64-R66 PolarHBondContact O-N 3.46Å; A64-R66 VanDerWaalsContact O-N 3.11Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R66-R68 PolarHBondContact O-N 3.14Å
67E77.2Confident72.9Confident158 Ų15891.3 Ų91.374%0.73845%0.453SS*.THydrogen-bonded Turntrans-83.6-6.1-180-56.9-174.8160.800112.8N65 K69N65-E67 VanDerWaalsContact C-N 3.29Å; N65-E67 PolarHBondContact O-N 2.78Å; N65-E67 WeakPolarHBondContact OD1-CB 3.45Å; N65-E67 PolarHBondContact OD1-N 3.03Å; E67-K69 PolarHBondContact O-N 3.38Å
68R79.1Confident73Confident45 Ų4589.5 Ų89.517%0.1744%0.441CS..  trans-65.9126.9-175.581-168171.491.61.6111.7S13 L14 D58 N65 R66 K71S13-R68 CarbonylContact C-O 3.55Å; S13-R68 WeakPolarHBondContact CA-O 3.38Å; L14-R68 HydrophobicContact CB-CG 4.14Å; L14-R68 PolarHBondContact N-O 3.19Å; D58-R68 IonicContact OD2-CZ 3.05Å; D58-R68 IonicContact OD2-NH1 3.39Å; D58-R68 IonicContact OD2-NH2 2.65Å; D58-R68 PolarHBondContact OD2-NH2 3.04Å; N65-R68 HydrophobicContact CB-CB 4.31Å; N65-R68 WeakPolarHBondContact O-CB 3.37Å; N65-R68 VanDerWaalsContact O-CD 3.23Å; N65-R68 WeakPolarHBondContact O-CD 3.33Å; N65-R68 WeakPolarHBondContact O-CG 3.32Å; N65-R68 PolarHBondContact O-N 2.94Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R66-R68 PolarHBondContact O-N 3.14Å; R68-K71 VanDerWaalsContact NH1-CG 3.33Å
69K80.3Confident73.4Confident109 Ų10988 Ų8847%0.47443%0.433SS..SBendtrans-84.3-27.3176.9-64.5-178172.2-165.10113.7A11 L12 K17 E67A11-K69 HydrophobicContact CB-CB 4.23Å; A11-K69 HydrophobicContact CB-CD 4.33Å; A11-K69 VanDerWaalsContact O-CD 3.24Å; A11-K69 WeakPolarHBondContact O-CD 3.49Å; A11-K69 WeakPolarHBondContact O-CE 3.47Å; L12-K69 WeakPolarHBondContact O-CA 3.25Å; K17-K69 PolarHBondContact NZ-O 2.94Å; E67-K69 PolarHBondContact O-N 3.38Å
70R75.1Confident73.8Confident189 Ų18985 Ų8571%0.71342%0.422SS*.SBendtrans-141.5135.7-179.8-171.4171.3178.9177.9-0.2110.7R72R70-R72 HydrophobicContact CG-CG 4.45Å; R70-R72 PolarHBondContact O-N 3.12Å
71K70.4Confident74.3Confident116 Ų11686.7 Ų86.750%0.50442%0.42SS..  trans-74.2120164.2-152.6169.2-177168.50107.3D58 R68D58-K71 IonicContact OD1-NZ 2.61Å; D58-K71 PolarHBondContact OD1-NZ 3.37Å; D58-K71 IonicContact OD2-NZ 3.58Å; D58-K71 PolarHBondContact OD2-NZ 3.47Å; D58-K71 VanDerWaalsContact OD2-NZ 3.08Å; R68-K71 VanDerWaalsContact NH1-CG 3.33Å
72R68.5Low75.2Confident190 Ų19085.2 Ų85.272%0.71741%0.411SS*.  trans-115117.1167.4-66.8-173.8-176.2-1751.3106.1R70R70-R72 HydrophobicContact CG-CG 4.45Å; R70-R72 PolarHBondContact O-N 3.12Å
73E63.7Low76.5Confident166 Ų16682.3 Ų82.378%0.77638%0.381SS*.  trans-72.2138.3170.4-71.5164.2-166.900108
74S67.7Low77.6Confident28 Ų2881.3 Ų81.320%0.19637%0.374CS..  trans-75.5152.8171.2-179.80000108.8Y76 S77 D80S74-Y76 PolarHBondContact O-N 3.16Å; S74-Y76 VanDerWaalsContact O-N 3.13Å; S74-Y76 PolarHBondContact OG-N 2.9Å; S74-Y76 VanDerWaalsContact OG-N 3.16Å; S74-S77 PolarHBondContact O-N 3.01Å; S74-D80 WeakPolarHBondContact CB-OD2 3.49Å; S74-D80 PolarHBondContact OG-OD2 3.14Å
75K72.3Confident78.5Confident177 Ų17784 Ų8477%0.7739%0.392SS*.THydrogen-bonded Turntrans-55.5-25.4166.6-174-177.3174.8-162.80111.7
76Y80.1Confident79.2Confident48 Ų4884.3 Ų84.319%0.18839%0.391CS..THydrogen-bonded Turntrans-117.154-176.8-53.7-79000111.4S74 G78 I79 D80 D116 F117S74-Y76 PolarHBondContact O-N 3.16Å; S74-Y76 VanDerWaalsContact O-N 3.13Å; S74-Y76 PolarHBondContact OG-N 2.9Å; S74-Y76 VanDerWaalsContact OG-N 3.16Å; Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 2.88Å; Y76-I79 HydrophobicContact CD1-CD1 4.13Å; Y76-I79 HydrophobicContact CG-CD1 4.37Å; Y76-I79 PolarHBondContact O-N 2.98Å; Y76-D80 PolarHBondContact O-N 3.09Å; Y76-D116 PolarHBondContact OH-O 3.32Å; Y76-F117 HydrophobicContact CD1-CB 4Å; Y76-F117 HydrophobicContact CD1-CD2 4.21Å; Y76-F117 HydrophobicContact CD1-CG 4.23Å; Y76-F117 AromaticContact CD2-CD2 3.52Å; Y76-F117 HydrophobicContact CD2-CD2 3.52Å; Y76-F117 AromaticContact CD2-CE2 3.86Å; Y76-F117 HydrophobicContact CD2-CE2 3.86Å; Y76-F117 HydrophobicContact CD2-CG 4.3Å; Y76-F117 HydrophobicContact CE1-CB 3.78Å; Y76-F117 HydrophobicContact CE1-CD2 4.14Å; Y76-F117 HydrophobicContact CE1-CG 4.29Å; Y76-F117 AromaticContact CE2-CD2 3.47Å; Y76-F117 HydrophobicContact CE2-CD2 3.47Å; Y76-F117 VanDerWaalsContact CE2-CD2 3.47Å; Y76-F117 HydrophobicContact CE2-CE2 4.06Å; Y76-F117 HydrophobicContact CE2-CG 4.38Å; Y76-F117 HydrophobicContact CG-CB 4.49Å; Y76-F117 AromaticContact CG-CD2 3.9Å; Y76-F117 HydrophobicContact CG-CD2 3.9Å; Y76-F117 HydrophobicContact CG-CE2 4.44Å; Y76-F117 HydrophobicContact CG-CG 4.22Å; Y76-F117 AromaticContact CZ-CD2 3.78Å
77S78.7Confident79.6Confident60 Ų6078.6 Ų78.642%0.4237%0.369SS..Hα-helixtrans-59.2-37.5-177.854.10000113.3S74 I79 D80 E81S74-S77 PolarHBondContact O-N 3.01Å; S77-I79 PolarHBondContact O-N 2.71Å; S77-D80 WeakPolarHBondContact O-CB 3.49Å; S77-D80 PolarHBondContact O-N 3.12Å; S77-E81 WeakPolarHBondContact O-CG 3.22Å; S77-E81 PolarHBondContact O-N 3.3Å
78G81.2Confident79.8Confident27 Ų2775.2 Ų75.228%0.27835%0.354SS..Hα-helixtrans-62-42176.900000113.3Y76 A82Y76-G78 VanDerWaalsContact C-N 3.3Å; Y76-G78 PolarHBondContact O-N 2.88Å; G78-A82 VanDerWaalsContact O-CB 3.29Å; G78-A82 WeakPolarHBondContact O-CB 3.43Å; G78-A82 PolarHBondContact O-N 3.16Å
79I86.7Confident79.7Confident2 Ų277.1 Ų77.11%0.0137%0.366CS..Hα-helixtrans-67.3-40.8175.5-57.6178.2000110.1Y76 S77 E81 L83 A106 L109 A110 M113 Q115 F117 W123Y76-I79 HydrophobicContact CD1-CD1 4.13Å; Y76-I79 HydrophobicContact CG-CD1 4.37Å; Y76-I79 PolarHBondContact O-N 2.98Å; S77-I79 PolarHBondContact O-N 2.71Å; I79-E81 PolarHBondContact O-N 3.04Å; I79-L83 VanDerWaalsContact O-CB 3.22Å; I79-L83 WeakPolarHBondContact O-CB 3.49Å; I79-L83 PolarHBondContact O-N 3.34Å; I79-A106 HydrophobicContact CG2-CB 4.47Å; I79-L109 HydrophobicContact CG2-CB 4.46Å; I79-A110 HydrophobicContact CD1-CB 3.71Å; I79-M113 HydrophobicContact CG1-SD 4.07Å; I79-Q115 HydrophobicContact CD1-CB 4.05Å; I79-Q115 HydrophobicContact CD1-CG 4.45Å; I79-F117 HydrophobicContact CD1-CB 3.79Å; I79-F117 HydrophobicContact CD1-CD1 3.54Å; I79-F117 HydrophobicContact CD1-CE1 4.36Å; I79-F117 HydrophobicContact CD1-CG 3.82Å; I79-F117 HydrophobicContact CG2-CD1 4.23Å; I79-F117 HydrophobicContact CG2-CE1 4.13Å; I79-W123 HydrophobicContact CG2-CZ2 4.45Å
80D85.4Confident79.4Confident9 Ų972 Ų725%0.04834%0.344CS..Hα-helixtrans-59.7-45178.2-70.8-23.9000112.3S74 Y76 S77 L84 W123 W127 R130S74-D80 WeakPolarHBondContact CB-OD2 3.49Å; S74-D80 PolarHBondContact OG-OD2 3.14Å; Y76-D80 PolarHBondContact O-N 3.09Å; S77-D80 WeakPolarHBondContact O-CB 3.49Å; S77-D80 PolarHBondContact O-N 3.12Å; D80-L84 WeakPolarHBondContact O-CB 3.41Å; D80-L84 PolarHBondContact O-N 2.63Å; D80-L84 VanDerWaalsContact O-N 3.12Å; D80-W123 WeakPolarHBondContact OD1-CZ2 3.18Å; D80-W127 PolarHBondContact O-NE1 3.37Å; D80-W127 VanDerWaalsContact O-NE1 3.1Å; D80-R130 IonicContact OD1-CZ 2.76Å; D80-R130 IonicContact OD1-NH2 2.62Å; D80-R130 PolarHBondContact OD1-NH2 3.24Å; D80-R130 IonicContact OD2-CZ 3.79Å; D80-R130 IonicContact OD2-NH1 3.59Å; D80-R130 PolarHBondContact OD2-NH1 3.04Å; D80-R130 IonicContact OD2-NH2 3.74Å; D80-R130 PolarHBondContact OD2-NH2 3.38Å
81E83.7Confident79.5Confident140 Ų14068.6 Ų68.665%0.65433%0.331SS*.Hα-helixtrans-70.8-44.9-179.7-73.9176.3-167.900111.8S77 I79 L83 L84 C85S77-E81 WeakPolarHBondContact O-CG 3.22Å; S77-E81 PolarHBondContact O-N 3.3Å; I79-E81 PolarHBondContact O-N 3.04Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.42Å; E81-L84 PolarHBondContact O-N 2.92Å; E81-L84 VanDerWaalsContact O-N 3.16Å; E81-C85 PolarHBondContact O-N 2.95Å
82A86.4Confident79.5Confident30 Ų3067.5 Ų67.525%0.24834%0.343CS..Hα-helixtrans-61.8-41.8176.900000111.6G78 L84 C85 W86 L109G78-A82 VanDerWaalsContact O-CB 3.29Å; G78-A82 WeakPolarHBondContact O-CB 3.43Å; G78-A82 PolarHBondContact O-N 3.16Å; A82-L84 VanDerWaalsContact C-N 3.31Å; A82-L84 PolarHBondContact O-N 3.27Å; A82-C85 PolarHBondContact O-N 3.05Å; A82-W86 PolarHBondContact O-N 3.35Å; A82-L109 HydrophobicContact CB-CD1 3.88Å; A82-L109 HydrophobicContact CB-CD2 4.04Å; A82-L109 HydrophobicContact CB-CG 4.46Å
83L90.7Very high79.4Confident0 Ų063.6 Ų63.60%033%0.332CS..Hα-helixtrans-65.7-35.7176.1-174.464.5000111.8I79 E81 W86 Y87 L102 K105 A106 L109 W123 W127I79-L83 VanDerWaalsContact O-CB 3.22Å; I79-L83 WeakPolarHBondContact O-CB 3.49Å; I79-L83 PolarHBondContact O-N 3.34Å; E81-L83 VanDerWaalsContact C-N 3.33Å; E81-L83 PolarHBondContact O-N 3.42Å; L83-W86 HydrophobicContact CD1-CE3 4.2Å; L83-W86 PolarHBondContact O-N 3.4Å; L83-Y87 WeakPolarHBondContact O-CB 3.49Å; L83-Y87 PolarHBondContact O-N 3.39Å; L83-L102 HydrophobicContact CD1-CD2 3.95Å; L83-L102 HydrophobicContact CD2-CD2 4.32Å; L83-L102 HydrophobicContact CG-CD2 4.11Å; L83-K105 HydrophobicContact CD1-CB 3.79Å; L83-K105 HydrophobicContact CD1-CG 3.89Å; L83-A106 HydrophobicContact CD2-CB 3.95Å; L83-L109 HydrophobicContact CB-CD1 3.97Å; L83-L109 HydrophobicContact CD1-CD1 4.22Å; L83-W123 HydrophobicContact CD2-CH2 3.55Å; L83-W123 HydrophobicContact CD2-CZ3 3.96Å; L83-W127 HydrophobicContact CB-CZ2 3.99Å; L83-W127 HydrophobicContact CD2-CD2 3.94Å; L83-W127 HydrophobicContact CD2-CE3 4.38Å; L83-W127 HydrophobicContact CD2-CG 4.43Å; L83-W127 HydrophobicContact CD2-CH2 4.26Å; L83-W127 HydrophobicContact CD2-CZ2 3.79Å; L83-W127 HydrophobicContact CG-CH2 4.12Å; L83-W127 HydrophobicContact CG-CZ2 3.61Å
84L86.2Confident79.4Confident21 Ų2157.7 Ų57.711%0.1131%0.311CS..Hα-helixtrans-68.3-43.7177.5-175.959.4000111.4T63 D80 E81 A82 W86 Y87 H88 W127 N131T63-L84 HydrophobicContact CG2-CD2 4.31Å; D80-L84 WeakPolarHBondContact O-CB 3.41Å; D80-L84 PolarHBondContact O-N 2.63Å; D80-L84 VanDerWaalsContact O-N 3.12Å; E81-L84 PolarHBondContact O-N 2.92Å; E81-L84 VanDerWaalsContact O-N 3.16Å; A82-L84 VanDerWaalsContact C-N 3.31Å; A82-L84 PolarHBondContact O-N 3.27Å; L84-W86 VanDerWaalsContact C-N 3.35Å; L84-W86 PolarHBondContact O-N 3.36Å; L84-Y87 WeakPolarHBondContact O-CB 3.3Å; L84-Y87 PolarHBondContact O-N 2.97Å; L84-H88 WeakPolarHBondContact CD1-NE2 3.36Å; L84-H88 PolarHBondContact O-CD2 2.79Å; L84-H88 PolarHBondContact O-N 3.3Å; L84-W127 HydrophobicContact CB-CZ2 4.08Å; L84-W127 HydrophobicContact CD1-CH2 4.49Å; L84-W127 HydrophobicContact CD1-CZ2 4.23Å; L84-N131 HydrophobicContact CD1-CB 3.76Å; L84-N131 HydrophobicContact CD2-CB 4.3Å
85C84Confident79.5Confident76 Ų7658.1 Ų58.151%0.51431%0.308SS..Hα-helixtrans-57.5-48.8173.6-174.70000111E81 A82 Y87 H88 I89E81-C85 PolarHBondContact O-N 2.95Å; A82-C85 PolarHBondContact O-N 3.05Å; C85-Y87 VanDerWaalsContact C-N 3.34Å; C85-Y87 PolarHBondContact O-N 3.48Å; C85-H88 PolarHBondContact O-N 2.96Å; C85-I89 WeakPolarHBondContact O-CG1 3.49Å; C85-I89 PolarHBondContact O-N 2.79Å
86W88.6Confident79.2Confident31 Ų3154.6 Ų54.612%0.11730%0.298CS..Hα-helixtrans-59.7-42.8176.1178.185.2000112.6A82 L83 L84 H88 I89 A90 V97 M101 L102 K105 F224A82-W86 PolarHBondContact O-N 3.35Å; L83-W86 HydrophobicContact CD1-CE3 4.2Å; L83-W86 PolarHBondContact O-N 3.4Å; L84-W86 VanDerWaalsContact C-N 3.35Å; L84-W86 PolarHBondContact O-N 3.36Å; W86-H88 VanDerWaalsContact C-N 3.3Å; W86-H88 PolarHBondContact O-N 3.02Å; W86-I89 PolarHBondContact O-N 2.94Å; W86-A90 HydrophobicContact CH2-CB 4.37Å; W86-A90 HydrophobicContact CZ2-CB 4.32Å; W86-A90 WeakPolarHBondContact O-CB 3.28Å; W86-A90 PolarHBondContact O-N 3.41Å; W86-V97 HydrophobicContact CH2-CG1 4.06Å; W86-V97 HydrophobicContact CH2-CG2 4.47Å; W86-V97 HydrophobicContact CZ3-CG1 3.74Å; W86-M101 HydrophobicContact CH2-CE 4.44Å; W86-L102 HydrophobicContact CE3-CD2 4.32Å; W86-L102 HydrophobicContact CZ3-CD2 3.92Å; W86-K105 VanDerWaalsContact CD1-CE 3.48Å; W86-K105 HydrophobicContact CD2-CB 4.42Å; W86-K105 HydrophobicContact CD2-CD 3.96Å; W86-K105 HydrophobicContact CD2-CG 3.6Å; W86-K105 HydrophobicContact CE3-CB 4.3Å; W86-K105 HydrophobicContact CE3-CG 3.9Å; W86-K105 HydrophobicContact CG-CD 4.08Å; W86-K105 HydrophobicContact CG-CG 3.86Å; W86-K105 HydrophobicContact CH2-CB 4.49Å; W86-K105 HydrophobicContact CZ2-CD 4.2Å; W86-K105 HydrophobicContact CZ2-CG 4.34Å; W86-K105 HydrophobicContact CZ3-CB 4.34Å; W86-K105 HydrophobicContact CZ3-CG 4.38Å; W86-F224 HydrophobicContact CH2-CE2 4.15Å; W86-F224 AromaticContact CZ2-CE2 3.94Å; W86-F224 HydrophobicContact CZ2-CE2 3.94Å; W86-F224 AromaticContact CZ2-CZ 3.94Å; W86-F224 HydrophobicContact CZ2-CZ 3.94Å
87Y85.8Confident79Confident28 Ų2853 Ų5311%0.1129%0.293CS..Hα-helixtrans-58.4-41.9177173.6-97.6000112L83 L84 C85 A90 R91 V97 L102 W127 V133L83-Y87 WeakPolarHBondContact O-CB 3.49Å; L83-Y87 PolarHBondContact O-N 3.39Å; L84-Y87 WeakPolarHBondContact O-CB 3.3Å; L84-Y87 PolarHBondContact O-N 2.97Å; C85-Y87 VanDerWaalsContact C-N 3.34Å; C85-Y87 PolarHBondContact O-N 3.48Å; Y87-A90 PolarHBondContact O-N 3.33Å; Y87-R91 HydrophobicContact CD1-CG 4.36Å; Y87-R91 HydrophobicContact CD2-CG 4.49Å; Y87-R91 HydrophobicContact CE1-CG 3.9Å; Y87-R91 HydrophobicContact CE2-CG 4.07Å; Y87-R91 WeakPolarHBondContact O-CB 3.42Å; Y87-R91 WeakPolarHBondContact O-CG 3.48Å; Y87-R91 PolarHBondContact O-N 3.35Å; Y87-R91 PolarHBondContact OH-NE 3.23Å; Y87-V97 HydrophobicContact CD2-CB 4.2Å; Y87-V97 HydrophobicContact CD2-CG1 3.9Å; Y87-V97 HydrophobicContact CD2-CG2 4.44Å; Y87-V97 HydrophobicContact CE2-CB 4.15Å; Y87-V97 HydrophobicContact CE2-CG1 4.21Å; Y87-L102 HydrophobicContact CD2-CD2 4.18Å; Y87-W127 HydrophobicContact CG-CH2 4.34Å; Y87-V133 HydrophobicContact CD1-CG2 4.1Å; Y87-V133 HydrophobicContact CE1-CG1 4.35Å; Y87-V133 HydrophobicContact CE1-CG2 3.82Å; Y87-V133 HydrophobicContact CE2-CG1 3.78Å; Y87-V133 HydrophobicContact CE2-CG2 4.47Å
88H80.8Confident78.9Confident88 Ų8851.7 Ų51.741%0.40728%0.283SS..Hα-helixtrans-66.4-41.6176.4-70.9-56.9000112.5L84 C85 W86 A90 R91 A92L84-H88 WeakPolarHBondContact CD1-NE2 3.36Å; L84-H88 PolarHBondContact O-CD2 2.79Å; L84-H88 PolarHBondContact O-N 3.3Å; C85-H88 PolarHBondContact O-N 2.96Å; W86-H88 VanDerWaalsContact C-N 3.3Å; W86-H88 PolarHBondContact O-N 3.02Å; H88-A90 VanDerWaalsContact C-N 3.35Å; H88-R91 PolarHBondContact O-N 3.13Å; H88-A92 WeakPolarHBondContact O-CB 3.35Å; H88-A92 PolarHBondContact O-N 3.14Å
89I76.8Confident78.7Confident85 Ų8551.1 Ų51.144%0.43628%0.277SS..Hα-helixtrans-61.3-45.8175-66.1166.4000110.5C85 W86 R91 A92 K93C85-I89 WeakPolarHBondContact O-CG1 3.49Å; C85-I89 PolarHBondContact O-N 2.79Å; W86-I89 PolarHBondContact O-N 2.94Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 2.96Å; I89-A92 PolarHBondContact O-N 3.46Å; I89-K93 HydrophobicContact CG2-CD 4.45Å; I89-K93 WeakPolarHBondContact O-CG 3.3Å; I89-K93 PolarHBondContact O-N 3.41Å
90A75.8Confident78.3Confident0 Ų054.8 Ų54.80%030%0.3CS..Hα-helixtrans-62.5-41178.500000111.7W86 Y87 H88 K93 A94 W95 V97W86-A90 HydrophobicContact CH2-CB 4.37Å; W86-A90 HydrophobicContact CZ2-CB 4.32Å; W86-A90 WeakPolarHBondContact O-CB 3.28Å; W86-A90 PolarHBondContact O-N 3.41Å; Y87-A90 PolarHBondContact O-N 3.33Å; H88-A90 VanDerWaalsContact C-N 3.35Å; A90-K93 PolarHBondContact O-N 3.48Å; A90-A94 PolarHBondContact O-N 2.89Å; A90-W95 HydrophobicContact CB-CB 4.39Å; A90-W95 HydrophobicContact CB-CD2 4.46Å; A90-W95 HydrophobicContact CB-CE3 3.73Å; A90-W95 HydrophobicContact CB-CZ3 4.47Å; A90-W95 WeakPolarHBondContact O-CB 3.39Å; A90-W95 PolarHBondContact O-N 2.85Å; A90-V97 HydrophobicContact CB-CG2 3.44Å; A90-V97 VanDerWaalsContact CB-CG2 3.44Å
91R75.7Confident78Confident119 Ų11955 Ų5545%0.44930%0.302SS..Hα-helixtrans-66-40.8174.6-76.8-76.3170.1179.4-6.4112.9Y87 H88 I89 K93 A94Y87-R91 HydrophobicContact CD1-CG 4.36Å; Y87-R91 HydrophobicContact CD2-CG 4.49Å; Y87-R91 HydrophobicContact CE1-CG 3.9Å; Y87-R91 HydrophobicContact CE2-CG 4.07Å; Y87-R91 WeakPolarHBondContact O-CB 3.42Å; Y87-R91 WeakPolarHBondContact O-CG 3.48Å; Y87-R91 PolarHBondContact O-N 3.35Å; Y87-R91 PolarHBondContact OH-NE 3.23Å; H88-R91 PolarHBondContact O-N 3.13Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 2.96Å; R91-K93 PolarHBondContact O-N 2.99Å; R91-A94 PolarHBondContact O-N 3.47Å
92A70Confident78.1Confident92 Ų9248.4 Ų48.476%0.7627%0.271SS*.Hα-helixtrans-63.1-29.8175.900000112.2H88 I89 A94H88-A92 WeakPolarHBondContact O-CB 3.35Å; H88-A92 PolarHBondContact O-N 3.14Å; I89-A92 PolarHBondContact O-N 3.46Å; A92-A94 PolarHBondContact O-N 2.69Å
93K68.1Low78.1Confident109 Ų10948.8 Ų48.847%0.47427%0.268SS..THydrogen-bonded Turntrans-83.68.1173.5-68.3-175.6177-172.90114.2I89 A90 R91 W95I89-K93 HydrophobicContact CG2-CD 4.45Å; I89-K93 WeakPolarHBondContact O-CG 3.3Å; I89-K93 PolarHBondContact O-N 3.41Å; A90-K93 PolarHBondContact O-N 3.48Å; R91-K93 PolarHBondContact O-N 2.99Å; K93-W95 HydrophobicContact CB-CD2 4.19Å; K93-W95 HydrophobicContact CB-CG 4.18Å; K93-W95 HydrophobicContact CD-CH2 4.19Å; K93-W95 HydrophobicContact CD-CZ2 3.75Å; K93-W95 PolarHBondContact O-N 3.2Å
94A63Low77.7Confident41 Ų4152.4 Ų52.434%0.33929%0.285SS..THydrogen-bonded Turntrans55.632.4-175.900000113.9A90 R91 A92A90-A94 PolarHBondContact O-N 2.89Å; R91-A94 PolarHBondContact O-N 3.47Å; A92-A94 PolarHBondContact O-N 2.69Å
95W70.4Confident77.8Confident38 Ų3852.9 Ų52.914%0.14429%0.286CS..BIsolated β-bridgetrans-80.4137.5173.5-62.5-11.9000111A90 K93 V97 G225A90-W95 HydrophobicContact CB-CB 4.39Å; A90-W95 HydrophobicContact CB-CD2 4.46Å; A90-W95 HydrophobicContact CB-CE3 3.73Å; A90-W95 HydrophobicContact CB-CZ3 4.47Å; A90-W95 WeakPolarHBondContact O-CB 3.39Å; A90-W95 PolarHBondContact O-N 2.85Å; K93-W95 HydrophobicContact CB-CD2 4.19Å; K93-W95 HydrophobicContact CB-CG 4.18Å; K93-W95 HydrophobicContact CD-CH2 4.19Å; K93-W95 HydrophobicContact CD-CZ2 3.75Å; K93-W95 PolarHBondContact O-N 3.2Å; W95-V97 PolarHBondContact O-N 2.81Å; W95-G225 PolarHBondContact NE1-O 2.62Å
96D65.8Low78.1Confident102 Ų10249.3 Ų49.355%0.54526%0.262SS..  trans-77.886.2174.5-78.8-40.3000111M101 S228D96-M101 VanDerWaalsContact O-SD 3.37Å; D96-S228 PolarHBondContact OD2-OG 3.39Å
97V76.2Confident78.2Confident15 Ų1552.9 Ų52.99%0.09128%0.278CS..  trans-76.8123-177.2-173.90000113W86 Y87 A90 W95 M101 L102W86-V97 HydrophobicContact CH2-CG1 4.06Å; W86-V97 HydrophobicContact CH2-CG2 4.47Å; W86-V97 HydrophobicContact CZ3-CG1 3.74Å; Y87-V97 HydrophobicContact CD2-CB 4.2Å; Y87-V97 HydrophobicContact CD2-CG1 3.9Å; Y87-V97 HydrophobicContact CD2-CG2 4.44Å; Y87-V97 HydrophobicContact CE2-CB 4.15Å; Y87-V97 HydrophobicContact CE2-CG1 4.21Å; A90-V97 HydrophobicContact CB-CG2 3.44Å; A90-V97 VanDerWaalsContact CB-CG2 3.44Å; W95-V97 PolarHBondContact O-N 2.81Å; V97-M101 HydrophobicContact CB-CE 4.43Å; V97-M101 HydrophobicContact CG1-CE 4.49Å; V97-M101 HydrophobicContact CG2-CE 4.42Å; V97-L102 HydrophobicContact CG1-CD1 4.32Å; V97-L102 HydrophobicContact CG1-CD2 4Å; V97-L102 HydrophobicContact CG1-CG 3.87Å
98T75.5Confident78.3Confident33 Ų3354.9 Ų54.920%0.20229%0.289CS..  trans-110.7170.9-175.969.40000113.7M101 L102 A219T98-M101 HydrophobicContact CG2-SD 3.92Å; T98-M101 PolarHBondContact N-SD 2.85Å; T98-M101 VanDerWaalsContact N-SD 3.39Å; T98-M101 PolarHBondContact O-N 2.6Å; T98-M101 WeakPolarHBondContact OG1-CG 3.36Å; T98-M101 PolarHBondContact OG1-N 2.81Å; T98-M101 PolarHBondContact OG1-SD 2.73Å; T98-L102 WeakPolarHBondContact O-CG 3.42Å; T98-L102 PolarHBondContact O-N 3.45Å; T98-L102 VanDerWaalsContact O-N 3.13Å; T98-A219 HydrophobicContact CG2-CB 3.08Å
99G76.4Confident78.7Confident15 Ų1551.8 Ų51.816%0.15528%0.275CS..Hα-helixtrans-59.4-53.1176.700000113.8M101 L102 L103 L124G99-M101 VanDerWaalsContact C-N 3.3Å; G99-M101 PolarHBondContact O-N 2.62Å; G99-L102 WeakPolarHBondContact O-CB 3.41Å; G99-L102 PolarHBondContact O-N 2.82Å; G99-L102 VanDerWaalsContact O-N 3.11Å; G99-L103 PolarHBondContact O-N 3.23Å; G99-L103 VanDerWaalsContact O-N 3.08Å; G99-L124 WeakPolarHBondContact O-CD2 3.36Å
100P78.6Confident79.3Confident78 Ų7847.7 Ų47.751%0.50625%0.254SS..Hα-helixtrans-57.9-39.2176.2-27.736.6000113.3L102 L103 H104P100-L102 VanDerWaalsContact C-N 3.32Å; P100-L102 PolarHBondContact O-N 2.85Å; P100-L103 PolarHBondContact O-N 3.19Å; P100-H104 PolarHBondContact O-N 3.43Å
101M78.8Confident79.9Confident15 Ų1552.9 Ų52.97%0.07428%0.282CS..Hα-helixtrans-58.6-43.1174.5-71.7164.367.800112W86 D96 V97 T98 G99 H104 K105 F224 F425W86-M101 HydrophobicContact CH2-CE 4.44Å; D96-M101 VanDerWaalsContact O-SD 3.37Å; V97-M101 HydrophobicContact CB-CE 4.43Å; V97-M101 HydrophobicContact CG1-CE 4.49Å; V97-M101 HydrophobicContact CG2-CE 4.42Å; T98-M101 HydrophobicContact CG2-SD 3.92Å; T98-M101 PolarHBondContact N-SD 2.85Å; T98-M101 VanDerWaalsContact N-SD 3.39Å; T98-M101 PolarHBondContact O-N 2.6Å; T98-M101 WeakPolarHBondContact OG1-CG 3.36Å; T98-M101 PolarHBondContact OG1-N 2.81Å; T98-M101 PolarHBondContact OG1-SD 2.73Å; G99-M101 VanDerWaalsContact C-N 3.3Å; G99-M101 PolarHBondContact O-N 2.62Å; M101-H104 PolarHBondContact O-N 3.3Å; M101-K105 WeakPolarHBondContact O-CB 3.23Å; M101-K105 PolarHBondContact O-N 2.99Å; M101-F224 HydrophobicContact CB-CD2 4.47Å; M101-F224 HydrophobicContact CB-CE2 4.3Å; M101-F224 HydrophobicContact CE-CD2 3.21Å; M101-F224 HydrophobicContact CE-CE2 3.41Å; M101-F224 VanDerWaalsContact CE-CE2 3.41Å; M101-F224 HydrophobicContact CE-CG 4.42Å; M101-F224 HydrophobicContact CG-CD2 3.66Å; M101-F224 HydrophobicContact CG-CE2 3.97Å; M101-F224 HydrophobicContact SD-CD2 3.85Å; M101-F224 HydrophobicContact SD-CE2 4.37Å; M101-F425 HydrophobicContact CG-CZ 3.95Å
102L86.1Confident80.5Confident1 Ų152.9 Ų52.91%0.00529%0.289CS..Hα-helixtrans-67.1-36.6178.1-72.2164.7000112.4L83 W86 Y87 V97 T98 G99 P100 A106 L124 W127L83-L102 HydrophobicContact CD1-CD2 3.95Å; L83-L102 HydrophobicContact CD2-CD2 4.32Å; L83-L102 HydrophobicContact CG-CD2 4.11Å; W86-L102 HydrophobicContact CE3-CD2 4.32Å; W86-L102 HydrophobicContact CZ3-CD2 3.92Å; Y87-L102 HydrophobicContact CD2-CD2 4.18Å; V97-L102 HydrophobicContact CG1-CD1 4.32Å; V97-L102 HydrophobicContact CG1-CD2 4Å; V97-L102 HydrophobicContact CG1-CG 3.87Å; T98-L102 WeakPolarHBondContact O-CG 3.42Å; T98-L102 PolarHBondContact O-N 3.45Å; T98-L102 VanDerWaalsContact O-N 3.13Å; G99-L102 WeakPolarHBondContact O-CB 3.41Å; G99-L102 PolarHBondContact O-N 2.82Å; G99-L102 VanDerWaalsContact O-N 3.11Å; P100-L102 VanDerWaalsContact C-N 3.32Å; P100-L102 PolarHBondContact O-N 2.85Å; L102-A106 VanDerWaalsContact O-CB 3.22Å; L102-A106 WeakPolarHBondContact O-CB 3.26Å; L102-A106 PolarHBondContact O-N 3.34Å; L102-L124 HydrophobicContact CB-CD1 3.59Å; L102-L124 HydrophobicContact CD1-CD1 3.96Å; L102-L124 HydrophobicContact CG-CD1 4.4Å; L102-W127 HydrophobicContact CD1-CZ3 3.88Å; L102-W127 HydrophobicContact CD2-CH2 3.86Å; L102-W127 HydrophobicContact CD2-CZ3 3.89Å; L102-W127 HydrophobicContact CG-CZ3 4.47Å
103L85.8Confident81.3Confident37 Ų3752.6 Ų52.619%0.19427%0.274CS..Hα-helixtrans-65.4-48174.9-69.8171.2000111G99 P100 K105 A106 K107 P119 I121 L124G99-L103 PolarHBondContact O-N 3.23Å; G99-L103 VanDerWaalsContact O-N 3.08Å; P100-L103 PolarHBondContact O-N 3.19Å; L103-K105 PolarHBondContact O-N 3.44Å; L103-A106 WeakPolarHBondContact O-CB 3.4Å; L103-A106 PolarHBondContact O-N 3.06Å; L103-K107 PolarHBondContact O-N 3.41Å; L103-P119 HydrophobicContact CD2-CB 3.84Å; L103-P119 WeakPolarHBondContact O-CG 3.43Å; L103-I121 HydrophobicContact CD1-CG1 4.28Å; L103-L124 HydrophobicContact CD1-CD2 4.34Å; L103-L124 HydrophobicContact CD2-CB 3.71Å; L103-L124 HydrophobicContact CD2-CD2 4.19Å; L103-L124 HydrophobicContact CD2-CG 4.42Å; L103-L124 HydrophobicContact CG-CB 4.38Å; L103-L124 HydrophobicContact CG-CD2 3.92Å
104H84.3Confident82.1Confident76 Ų7650.7 Ų50.735%0.35228%0.284SS..Hα-helixtrans-60.5-48.5178.5-176.282.3000111.1P100 M101 A106 K107 E108 F425P100-H104 PolarHBondContact O-N 3.43Å; M101-H104 PolarHBondContact O-N 3.3Å; H104-A106 VanDerWaalsContact C-N 3.3Å; H104-A106 PolarHBondContact O-N 2.87Å; H104-K107 WeakPolarHBondContact O-CB 3.47Å; H104-K107 PolarHBondContact O-N 3.04Å; H104-K107 VanDerWaalsContact O-N 3.09Å; H104-E108 PolarHBondContact O-N 2.8Å; H104-F425 AromaticContact CD2-CD1 3.84Å
105K88.4Confident83.2Confident32 Ų3253.3 Ų53.314%0.13929%0.29CS..Hα-helixtrans-62.7-36.5178.4-166.474.1-162.5165.70112.5L83 W86 M101 L103 K107 E108 L109L83-K105 HydrophobicContact CD1-CB 3.79Å; L83-K105 HydrophobicContact CD1-CG 3.89Å; W86-K105 VanDerWaalsContact CD1-CE 3.48Å; W86-K105 HydrophobicContact CD2-CB 4.42Å; W86-K105 HydrophobicContact CD2-CD 3.96Å; W86-K105 HydrophobicContact CD2-CG 3.6Å; W86-K105 HydrophobicContact CE3-CB 4.3Å; W86-K105 HydrophobicContact CE3-CG 3.9Å; W86-K105 HydrophobicContact CG-CD 4.08Å; W86-K105 HydrophobicContact CG-CG 3.86Å; W86-K105 HydrophobicContact CH2-CB 4.49Å; W86-K105 HydrophobicContact CZ2-CD 4.2Å; W86-K105 HydrophobicContact CZ2-CG 4.34Å; W86-K105 HydrophobicContact CZ3-CB 4.34Å; W86-K105 HydrophobicContact CZ3-CG 4.38Å; M101-K105 WeakPolarHBondContact O-CB 3.23Å; M101-K105 PolarHBondContact O-N 2.99Å; L103-K105 PolarHBondContact O-N 3.44Å; K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 3.43Å; K105-E108 WeakPolarHBondContact CD-OE2 3.49Å; K105-E108 IonicContact NZ-OE1 3.2Å; K105-E108 PolarHBondContact NZ-OE1 3.01Å; K105-E108 IonicContact NZ-OE2 3.58Å; K105-E108 PolarHBondContact NZ-OE2 3.3Å; K105-E108 PolarHBondContact O-N 3.06Å; K105-L109 HydrophobicContact CG-CD1 4.23Å; K105-L109 HydrophobicContact CG-CG 4.5Å; K105-L109 WeakPolarHBondContact O-CB 3.08Å; K105-L109 VanDerWaalsContact O-CG 3.22Å; K105-L109 WeakPolarHBondContact O-CG 3.44Å; K105-L109 PolarHBondContact O-N 3.08Å
106A89.9Confident83.9Confident0 Ų058.4 Ų58.40%032%0.32CS..Hα-helixtrans-63-37.5175.100000112.4I79 L83 L102 L103 H104 A110 F117 P119 W123I79-A106 HydrophobicContact CG2-CB 4.47Å; L83-A106 HydrophobicContact CD2-CB 3.95Å; L102-A106 VanDerWaalsContact O-CB 3.22Å; L102-A106 WeakPolarHBondContact O-CB 3.26Å; L102-A106 PolarHBondContact O-N 3.34Å; L103-A106 WeakPolarHBondContact O-CB 3.4Å; L103-A106 PolarHBondContact O-N 3.06Å; H104-A106 VanDerWaalsContact C-N 3.3Å; H104-A106 PolarHBondContact O-N 2.87Å; A106-A110 PolarHBondContact O-N 2.92Å; A106-F117 HydrophobicContact CB-CE1 4.28Å; A106-P119 HydrophobicContact CB-CB 3.89Å; A106-P119 HydrophobicContact CB-CG 4.05Å; A106-W123 HydrophobicContact CB-CH2 3.58Å; A106-W123 HydrophobicContact CB-CZ3 3.58Å
107K89.3Confident84.8Confident106 Ų10654.3 Ų54.346%0.46130%0.297SS..Hα-helixtrans-68.3-48.4176.2-170.2179.5178.3-176.70110.8L103 H104 K105 L109 A110 D111 P119L103-K107 PolarHBondContact O-N 3.41Å; H104-K107 WeakPolarHBondContact O-CB 3.47Å; H104-K107 PolarHBondContact O-N 3.04Å; H104-K107 VanDerWaalsContact O-N 3.09Å; K105-K107 VanDerWaalsContact C-N 3.3Å; K105-K107 PolarHBondContact O-N 3.43Å; K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 2.69Å; K107-A110 WeakPolarHBondContact O-CA 3.47Å; K107-A110 VanDerWaalsContact O-CB 3.22Å; K107-A110 WeakPolarHBondContact O-CB 3.35Å; K107-A110 PolarHBondContact O-N 3.3Å; K107-D111 PolarHBondContact O-N 3.33Å; K107-P119 HydrophobicContact CB-CG 3.87Å
108E88.5Confident85.3Confident70 Ų7059 Ų5933%0.32733%0.325SS..Hα-helixtrans-56.4-43176.3-167.9-159.7133.800111.7H104 K105 A110 D111 I112H104-E108 PolarHBondContact O-N 2.8Å; K105-E108 WeakPolarHBondContact CD-OE2 3.49Å; K105-E108 IonicContact NZ-OE1 3.2Å; K105-E108 PolarHBondContact NZ-OE1 3.01Å; K105-E108 IonicContact NZ-OE2 3.58Å; K105-E108 PolarHBondContact NZ-OE2 3.3Å; K105-E108 PolarHBondContact O-N 3.06Å; E108-A110 VanDerWaalsContact C-N 3.33Å; E108-A110 PolarHBondContact O-N 2.97Å; E108-D111 PolarHBondContact O-N 3.11Å; E108-I112 HydrophobicContact CG-CD1 4.16Å; E108-I112 WeakPolarHBondContact O-CD1 3.38Å; E108-I112 VanDerWaalsContact O-CG1 3.25Å; E108-I112 WeakPolarHBondContact O-CG1 3.38Å; E108-I112 PolarHBondContact O-N 3.29Å
109L89.3Confident85.9Confident23 Ų2358.2 Ų58.212%0.1232%0.321CS..Hα-helixtrans-65.7-34.7175.4-71.3170.2000112.5I79 A82 L83 K105 K107 M113I79-L109 HydrophobicContact CG2-CB 4.46Å; A82-L109 HydrophobicContact CB-CD1 3.88Å; A82-L109 HydrophobicContact CB-CD2 4.04Å; A82-L109 HydrophobicContact CB-CG 4.46Å; L83-L109 HydrophobicContact CB-CD1 3.97Å; L83-L109 HydrophobicContact CD1-CD1 4.22Å; K105-L109 HydrophobicContact CG-CD1 4.23Å; K105-L109 HydrophobicContact CG-CG 4.5Å; K105-L109 WeakPolarHBondContact O-CB 3.08Å; K105-L109 VanDerWaalsContact O-CG 3.22Å; K105-L109 WeakPolarHBondContact O-CG 3.44Å; K105-L109 PolarHBondContact O-N 3.08Å; K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 2.69Å; L109-M113 VanDerWaalsContact O-CB 3.29Å; L109-M113 WeakPolarHBondContact O-CB 3.37Å; L109-M113 WeakPolarHBondContact O-CG 3.24Å; L109-M113 PolarHBondContact O-N 3.31Å
110A90.6Very high86.2Confident0 Ų060.4 Ų60.40%033%0.334CS..Hα-helixtrans-63.5-45.8174.100000111.6I79 A106 K107 E108 M113 G114 Q115 F117I79-A110 HydrophobicContact CD1-CB 3.71Å; A106-A110 PolarHBondContact O-N 2.92Å; K107-A110 WeakPolarHBondContact O-CA 3.47Å; K107-A110 VanDerWaalsContact O-CB 3.22Å; K107-A110 WeakPolarHBondContact O-CB 3.35Å; K107-A110 PolarHBondContact O-N 3.3Å; E108-A110 VanDerWaalsContact C-N 3.33Å; E108-A110 PolarHBondContact O-N 2.97Å; A110-M113 CarbonylContact O-C 3.45Å; A110-M113 PolarHBondContact O-N 2.81Å; A110-G114 PolarHBondContact O-N 3.4Å; A110-Q115 PolarHBondContact O-N 3.38Å; A110-F117 HydrophobicContact CB-CB 3.95Å; A110-F117 HydrophobicContact CB-CD1 3.99Å; A110-F117 HydrophobicContact CB-CG 4.49Å
111D88.4Confident86.3Confident109 Ų10962.9 Ų62.958%0.58334%0.342SS*.Hα-helixtrans-62.2-46179.8-62.8-29000110.6K107 E108 M113 G114K107-D111 PolarHBondContact O-N 3.33Å; E108-D111 PolarHBondContact O-N 3.11Å; D111-M113 VanDerWaalsContact C-N 3.29Å; D111-M113 PolarHBondContact O-N 3.48Å; D111-G114 PolarHBondContact O-N 3.01Å
112I87.6Confident86.3Confident118 Ų11864 Ų6461%0.60536%0.358SS*.Hα-helixtrans-61.3-38.1176.4-67.9164.3000111.6E108 G114E108-I112 HydrophobicContact CG-CD1 4.16Å; E108-I112 WeakPolarHBondContact O-CD1 3.38Å; E108-I112 VanDerWaalsContact O-CG1 3.25Å; E108-I112 WeakPolarHBondContact O-CG1 3.38Å; E108-I112 PolarHBondContact O-N 3.29Å; I112-G114 VanDerWaalsContact C-N 3.29Å; I112-G114 PolarHBondContact O-N 3.24Å
113M85.8Confident86.4Confident87 Ų8764.5 Ų64.543%0.42936%0.359SS..THydrogen-bonded Turntrans-85.61-178.4-64.4177.981.800113.3I79 L109 A110 D111 Q115I79-M113 HydrophobicContact CG1-SD 4.07Å; L109-M113 VanDerWaalsContact O-CB 3.29Å; L109-M113 WeakPolarHBondContact O-CB 3.37Å; L109-M113 WeakPolarHBondContact O-CG 3.24Å; L109-M113 PolarHBondContact O-N 3.31Å; A110-M113 CarbonylContact O-C 3.45Å; A110-M113 PolarHBondContact O-N 2.81Å; D111-M113 VanDerWaalsContact C-N 3.29Å; D111-M113 PolarHBondContact O-N 3.48Å; M113-Q115 VanDerWaalsContact C-N 3.27Å; M113-Q115 HydrophobicContact CB-CG 4.1Å; M113-Q115 PolarHBondContact O-N 3.05Å
114G85.5Confident86.4Confident68 Ų6863.2 Ų63.270%0.70135%0.353SS*.THydrogen-bonded Turntrans62.131.4-178.200000113.6A110 D111 I112A110-G114 PolarHBondContact O-N 3.4Å; D111-G114 PolarHBondContact O-N 3.01Å; I112-G114 VanDerWaalsContact C-N 3.29Å; I112-G114 PolarHBondContact O-N 3.24Å
115Q85.5Confident86.3Confident96 Ų9662.1 Ų62.145%0.44935%0.351SS..  trans-102.6128.8-178.3-67.6-67.6-33.900110.7I79 A110 M113 F117I79-Q115 HydrophobicContact CD1-CB 4.05Å; I79-Q115 HydrophobicContact CD1-CG 4.45Å; A110-Q115 PolarHBondContact O-N 3.38Å; M113-Q115 VanDerWaalsContact C-N 3.27Å; M113-Q115 HydrophobicContact CB-CG 4.1Å; M113-Q115 PolarHBondContact O-N 3.05Å; Q115-F117 VanDerWaalsContact C-N 3.32Å; Q115-F117 PolarHBondContact O-N 2.93Å
116D85.9Confident86Confident146 Ų14668 Ų6878%0.78137%0.372SS*.  trans-74.188.1170.5-173.918000109.8Y76Y76-D116 PolarHBondContact OH-O 3.32Å
117F85.2Confident85.8Confident16 Ų1668 Ų687%0.0737%0.372CS..  trans-140.4119.1-178.2173.1-110.3000111.5Y76 I79 A106 A110 Q115 P119 W123Y76-F117 HydrophobicContact CD1-CB 4Å; Y76-F117 HydrophobicContact CD1-CD2 4.21Å; Y76-F117 HydrophobicContact CD1-CG 4.23Å; Y76-F117 AromaticContact CD2-CD2 3.52Å; Y76-F117 HydrophobicContact CD2-CD2 3.52Å; Y76-F117 AromaticContact CD2-CE2 3.86Å; Y76-F117 HydrophobicContact CD2-CE2 3.86Å; Y76-F117 HydrophobicContact CD2-CG 4.3Å; Y76-F117 HydrophobicContact CE1-CB 3.78Å; Y76-F117 HydrophobicContact CE1-CD2 4.14Å; Y76-F117 HydrophobicContact CE1-CG 4.29Å; Y76-F117 AromaticContact CE2-CD2 3.47Å; Y76-F117 HydrophobicContact CE2-CD2 3.47Å; Y76-F117 VanDerWaalsContact CE2-CD2 3.47Å; Y76-F117 HydrophobicContact CE2-CE2 4.06Å; Y76-F117 HydrophobicContact CE2-CG 4.38Å; Y76-F117 HydrophobicContact CG-CB 4.49Å; Y76-F117 AromaticContact CG-CD2 3.9Å; Y76-F117 HydrophobicContact CG-CD2 3.9Å; Y76-F117 HydrophobicContact CG-CE2 4.44Å; Y76-F117 HydrophobicContact CG-CG 4.22Å; Y76-F117 AromaticContact CZ-CD2 3.78Å; I79-F117 HydrophobicContact CD1-CB 3.79Å; I79-F117 HydrophobicContact CD1-CD1 3.54Å; I79-F117 HydrophobicContact CD1-CE1 4.36Å; I79-F117 HydrophobicContact CD1-CG 3.82Å; I79-F117 HydrophobicContact CG2-CD1 4.23Å; I79-F117 HydrophobicContact CG2-CE1 4.13Å; A106-F117 HydrophobicContact CB-CE1 4.28Å; A110-F117 HydrophobicContact CB-CB 3.95Å; A110-F117 HydrophobicContact CB-CD1 3.99Å; A110-F117 HydrophobicContact CB-CG 4.49Å; Q115-F117 VanDerWaalsContact C-N 3.32Å; Q115-F117 PolarHBondContact O-N 2.93Å; F117-P119 HydrophobicContact CE1-CB 3.65Å; F117-P119 HydrophobicContact CE1-CG 4.24Å; F117-P119 HydrophobicContact CZ-CB 3.78Å; F117-W123 HydrophobicContact CE1-CD2 4.43Å; F117-W123 HydrophobicContact CE1-CH2 4.2Å; F117-W123 HydrophobicContact CE1-CZ2 4.06Å; F117-W123 HydrophobicContact CE1-CZ3 4.46Å; F117-W123 AromaticContact CE2-CD1 3.99Å; F117-W123 HydrophobicContact CE2-CD2 4.35Å; F117-W123 HydrophobicContact CE2-CG 4.21Å; F117-W123 AromaticContact CZ-CD1 3.9Å; F117-W123 AromaticContact CZ-CD2 3.53Å; F117-W123 HydrophobicContact CZ-CD2 3.53Å; F117-W123 AromaticContact CZ-CE2 3.43Å; F117-W123 VanDerWaalsContact CZ-CE2 3.43Å; F117-W123 AromaticContact CZ-CE3 3.98Å; F117-W123 HydrophobicContact CZ-CE3 3.98Å; F117-W123 AromaticContact CZ-CG 3.84Å; F117-W123 HydrophobicContact CZ-CG 3.84Å; F117-W123 HydrophobicContact CZ-CH2 4.2Å; F117-W123 AromaticContact CZ-CZ2 3.79Å; F117-W123 HydrophobicContact CZ-CZ2 3.79Å; F117-W123 HydrophobicContact CZ-CZ3 4.3Å; F117-W123 AromaticContact CZ-NE1 3.68Å
118V87Confident85.5Confident112 Ų11265 Ų6568%0.67936%0.359SS*.  trans-104.9113.1170.2-176.80000108.9S120V118-S120 PolarHBondContact O-N 3.15Å
119P86.6Confident85Confident17 Ų1768.9 Ų68.911%0.1137%0.371CS..  trans-69.6119.9-179.625.7-31.1000110.7L103 A106 K107 F117 W123L103-P119 HydrophobicContact CD2-CB 3.84Å; L103-P119 WeakPolarHBondContact O-CG 3.43Å; A106-P119 HydrophobicContact CB-CB 3.89Å; A106-P119 HydrophobicContact CB-CG 4.05Å; K107-P119 HydrophobicContact CB-CG 3.87Å; F117-P119 HydrophobicContact CE1-CB 3.65Å; F117-P119 HydrophobicContact CE1-CG 4.24Å; F117-P119 HydrophobicContact CZ-CB 3.78Å; P119-W123 HydrophobicContact CB-CE3 3.95Å; P119-W123 HydrophobicContact CB-CZ3 4.07Å
120S84.3Confident84.4Confident62 Ų6271.2 Ų71.243%0.43438%0.378SS..  trans-95.2158.3173.166.50000112V118 G122 W123 L124V118-S120 PolarHBondContact O-N 3.15Å; S120-G122 PolarHBondContact O-N 3.42Å; S120-W123 WeakPolarHBondContact O-CA 3.27Å; S120-W123 WeakPolarHBondContact O-CB 3.46Å; S120-W123 PolarHBondContact O-N 3.48Å; S120-W123 PolarHBondContact OG-N 3.45Å; S120-L124 PolarHBondContact O-N 3.35Å
121I79.4Confident83.8Confident129 Ų12972.6 Ų72.666%0.66239%0.386SS*.Hα-helixtrans-54.6-43173.9-63.5163.6000110.6L103 W123 L124 V125L103-I121 HydrophobicContact CD1-CG1 4.28Å; I121-W123 VanDerWaalsContact C-N 3.3Å; I121-W123 PolarHBondContact O-N 3.15Å; I121-L124 PolarHBondContact O-N 2.93Å; I121-L124 VanDerWaalsContact O-N 3.15Å; I121-V125 WeakPolarHBondContact O-CG2 3.36Å; I121-V125 PolarHBondContact O-N 3.27Å
122G79.5Confident83.1Confident40 Ų4072.5 Ų72.541%0.41239%0.385SS..Hα-helixtrans-66.5-27.1176.500000114.1S120 R126S120-G122 PolarHBondContact O-N 3.42Å; G122-R126 WeakPolarHBondContact O-CG 3.08Å; G122-R126 PolarHBondContact O-NE 3.4Å
123W88.8Confident82.5Confident11 Ų1167.5 Ų67.54%0.04236%0.36CS..Hα-helixtrans-70.9-45.9168.5173.892000111I79 D80 L83 A106 F117 P119 S120 I121 V125 R126 W127I79-W123 HydrophobicContact CG2-CZ2 4.45Å; D80-W123 WeakPolarHBondContact OD1-CZ2 3.18Å; L83-W123 HydrophobicContact CD2-CH2 3.55Å; L83-W123 HydrophobicContact CD2-CZ3 3.96Å; A106-W123 HydrophobicContact CB-CH2 3.58Å; A106-W123 HydrophobicContact CB-CZ3 3.58Å; F117-W123 HydrophobicContact CE1-CD2 4.43Å; F117-W123 HydrophobicContact CE1-CH2 4.2Å; F117-W123 HydrophobicContact CE1-CZ2 4.06Å; F117-W123 HydrophobicContact CE1-CZ3 4.46Å; F117-W123 AromaticContact CE2-CD1 3.99Å; F117-W123 HydrophobicContact CE2-CD2 4.35Å; F117-W123 HydrophobicContact CE2-CG 4.21Å; F117-W123 AromaticContact CZ-CD1 3.9Å; F117-W123 AromaticContact CZ-CD2 3.53Å; F117-W123 HydrophobicContact CZ-CD2 3.53Å; F117-W123 AromaticContact CZ-CE2 3.43Å; F117-W123 VanDerWaalsContact CZ-CE2 3.43Å; F117-W123 AromaticContact CZ-CE3 3.98Å; F117-W123 HydrophobicContact CZ-CE3 3.98Å; F117-W123 AromaticContact CZ-CG 3.84Å; F117-W123 HydrophobicContact CZ-CG 3.84Å; F117-W123 HydrophobicContact CZ-CH2 4.2Å; F117-W123 AromaticContact CZ-CZ2 3.79Å; F117-W123 HydrophobicContact CZ-CZ2 3.79Å; F117-W123 HydrophobicContact CZ-CZ3 4.3Å; F117-W123 AromaticContact CZ-NE1 3.68Å; P119-W123 HydrophobicContact CB-CE3 3.95Å; P119-W123 HydrophobicContact CB-CZ3 4.07Å; S120-W123 WeakPolarHBondContact O-CA 3.27Å; S120-W123 WeakPolarHBondContact O-CB 3.46Å; S120-W123 PolarHBondContact O-N 3.48Å; S120-W123 PolarHBondContact OG-N 3.45Å; I121-W123 VanDerWaalsContact C-N 3.3Å; I121-W123 PolarHBondContact O-N 3.15Å; W123-V125 PolarHBondContact O-N 3Å; W123-R126 CarbonylContact O-C 3.5Å; W123-R126 WeakPolarHBondContact O-CB 3.39Å; W123-R126 PolarHBondContact O-N 3.19Å; W123-R126 VanDerWaalsContact O-N 3.12Å; W123-W127 HydrophobicContact CD2-CB 4.49Å; W123-W127 HydrophobicContact CH2-CB 4.45Å; W123-W127 HydrophobicContact CH2-CG 4.21Å; W123-W127 HydrophobicContact CZ2-CB 4.41Å; W123-W127 AromaticContact CZ2-CD1 3.89Å; W123-W127 HydrophobicContact CZ2-CG 4.32Å; W123-W127 HydrophobicContact CZ3-CB 4.5Å; W123-W127 PolarHBondContact O-N 2.99Å
124L85.9Confident81.2Confident10 Ų1065.8 Ų65.85%0.05237%0.365CS..Hα-helixtrans-59.8-44.8179.8175.967000112.2G99 L102 L103 S120 I121 R126 W127 K128G99-L124 WeakPolarHBondContact O-CD2 3.36Å; L102-L124 HydrophobicContact CB-CD1 3.59Å; L102-L124 HydrophobicContact CD1-CD1 3.96Å; L102-L124 HydrophobicContact CG-CD1 4.4Å; L103-L124 HydrophobicContact CD1-CD2 4.34Å; L103-L124 HydrophobicContact CD2-CB 3.71Å; L103-L124 HydrophobicContact CD2-CD2 4.19Å; L103-L124 HydrophobicContact CD2-CG 4.42Å; L103-L124 HydrophobicContact CG-CB 4.38Å; L103-L124 HydrophobicContact CG-CD2 3.92Å; S120-L124 PolarHBondContact O-N 3.35Å; I121-L124 PolarHBondContact O-N 2.93Å; I121-L124 VanDerWaalsContact O-N 3.15Å; L124-R126 VanDerWaalsContact C-N 3.26Å; L124-R126 PolarHBondContact O-N 3.13Å; L124-W127 HydrophobicContact CD1-CE3 4.12Å; L124-W127 PolarHBondContact O-N 2.92Å; L124-W127 VanDerWaalsContact O-N 3.15Å; L124-K128 HydrophobicContact CD1-CD 4.43Å; L124-K128 HydrophobicContact CD1-CG 4.1Å; L124-K128 HydrophobicContact CG-CD 4.32Å; L124-K128 HydrophobicContact CG-CG 4.35Å; L124-K128 WeakPolarHBondContact O-CG 3.17Å; L124-K128 PolarHBondContact O-N 3.08Å
125V81.1Confident79.2Confident52 Ų5269.7 Ų69.732%0.31536%0.363SS..Hα-helixtrans-58.8-41.4177.1173.50000110.8I121 W123 R129 F135I121-V125 WeakPolarHBondContact O-CG2 3.36Å; I121-V125 PolarHBondContact O-N 3.27Å; W123-V125 PolarHBondContact O-N 3Å; V125-R129 WeakPolarHBondContact O-CB 3.47Å; V125-R129 PolarHBondContact O-N 3.33Å; V125-R129 VanDerWaalsContact O-N 3.08Å; V125-F135 HydrophobicContact CG1-CZ 4.38Å
126R81.4Confident77.1Confident155 Ų15569.3 Ų69.359%0.58539%0.385SS*.Hα-helixtrans-69.5-38.8176-71.5-177.2-70.2160.3-3.3112G122 W123 L124 R130G122-R126 WeakPolarHBondContact O-CG 3.08Å; G122-R126 PolarHBondContact O-NE 3.4Å; W123-R126 CarbonylContact O-C 3.5Å; W123-R126 WeakPolarHBondContact O-CB 3.39Å; W123-R126 PolarHBondContact O-N 3.19Å; W123-R126 VanDerWaalsContact O-N 3.12Å; L124-R126 VanDerWaalsContact C-N 3.26Å; L124-R126 PolarHBondContact O-N 3.13Å; R126-R130 WeakPolarHBondContact O-CB 3.32Å; R126-R130 WeakPolarHBondContact O-CG 3.28Å; R126-R130 PolarHBondContact O-N 2.66Å; R126-R130 PolarHBondContact O-NE 3.29Å
127W86.6Confident74.4Confident0 Ų066.1 Ų66.10%038%0.379CS..Hα-helixtrans-62.5-49.9175.4179.794.8000111.1D80 L83 L84 Y87 L102 W123 L124 R129 R130 N131 V133D80-W127 PolarHBondContact O-NE1 3.37Å; D80-W127 VanDerWaalsContact O-NE1 3.1Å; L83-W127 HydrophobicContact CB-CZ2 3.99Å; L83-W127 HydrophobicContact CD2-CD2 3.94Å; L83-W127 HydrophobicContact CD2-CE3 4.38Å; L83-W127 HydrophobicContact CD2-CG 4.43Å; L83-W127 HydrophobicContact CD2-CH2 4.26Å; L83-W127 HydrophobicContact CD2-CZ2 3.79Å; L83-W127 HydrophobicContact CG-CH2 4.12Å; L83-W127 HydrophobicContact CG-CZ2 3.61Å; L84-W127 HydrophobicContact CB-CZ2 4.08Å; L84-W127 HydrophobicContact CD1-CH2 4.49Å; L84-W127 HydrophobicContact CD1-CZ2 4.23Å; Y87-W127 HydrophobicContact CG-CH2 4.34Å; L102-W127 HydrophobicContact CD1-CZ3 3.88Å; L102-W127 HydrophobicContact CD2-CH2 3.86Å; L102-W127 HydrophobicContact CD2-CZ3 3.89Å; L102-W127 HydrophobicContact CG-CZ3 4.47Å; W123-W127 HydrophobicContact CD2-CB 4.49Å; W123-W127 HydrophobicContact CH2-CB 4.45Å; W123-W127 HydrophobicContact CH2-CG 4.21Å; W123-W127 HydrophobicContact CZ2-CB 4.41Å; W123-W127 AromaticContact CZ2-CD1 3.89Å; W123-W127 HydrophobicContact CZ2-CG 4.32Å; W123-W127 HydrophobicContact CZ3-CB 4.5Å; W123-W127 PolarHBondContact O-N 2.99Å; L124-W127 HydrophobicContact CD1-CE3 4.12Å; L124-W127 PolarHBondContact O-N 2.92Å; L124-W127 VanDerWaalsContact O-N 3.15Å; W127-R129 VanDerWaalsContact C-N 3.34Å; W127-R129 PolarHBondContact O-N 2.96Å; W127-R130 PolarHBondContact O-N 3.38Å; W127-R130 VanDerWaalsContact O-N 3.11Å; W127-N131 PolarHBondContact NE1-ND2 3.22Å; W127-N131 PolarHBondContact O-N 3.39Å; W127-N131 PolarHBondContact O-ND2 2.95Å; W127-V133 HydrophobicContact CH2-CG2 3.97Å; W127-V133 HydrophobicContact CZ3-CB 4.26Å; W127-V133 HydrophobicContact CZ3-CG1 4.41Å; W127-V133 HydrophobicContact CZ3-CG2 3.8Å
128K82.9Confident72Confident43 Ų4374.2 Ų74.219%0.18741%0.409CS..Hα-helixtrans-56.8-47.1176.9-73.6-174.5177.7-175.70111.8L124 R130 N131 N132 V133L124-K128 HydrophobicContact CD1-CD 4.43Å; L124-K128 HydrophobicContact CD1-CG 4.1Å; L124-K128 HydrophobicContact CG-CD 4.32Å; L124-K128 HydrophobicContact CG-CG 4.35Å; L124-K128 WeakPolarHBondContact O-CG 3.17Å; L124-K128 PolarHBondContact O-N 3.08Å; K128-R130 VanDerWaalsContact C-N 3.34Å; K128-R130 PolarHBondContact O-N 2.9Å; K128-N131 PolarHBondContact O-N 3.4Å; K128-N132 PolarHBondContact O-N 2.72Å; K128-V133 HydrophobicContact CB-CB 4.17Å; K128-V133 HydrophobicContact CG-CB 4.15Å; K128-V133 HydrophobicContact CG-CG1 4.13Å; K128-V133 PolarHBondContact O-N 2.91Å
129R78.5Confident69.1Low152 Ų15277.3 Ų77.357%0.57442%0.416SS*.Hα-helixtrans-62.9-37177.5-171.5-176.6-62.5-172.9-0.2113N65 V125 W127N65-R129 WeakPolarHBondContact CB-O 3.38Å; N65-R129 PolarHBondContact ND2-O 2.98Å; V125-R129 WeakPolarHBondContact O-CB 3.47Å; V125-R129 PolarHBondContact O-N 3.33Å; V125-R129 VanDerWaalsContact O-N 3.08Å; W127-R129 VanDerWaalsContact C-N 3.34Å; W127-R129 PolarHBondContact O-N 2.96Å
130R77Confident66.2Low72 Ų7281.7 Ų81.727%0.27244%0.442SS..Hα-helixtrans-70.1-39.9179.6-77.5-179-58.7142.7-1.9112.1D80 R126 W127 K128D80-R130 IonicContact OD1-CZ 2.76Å; D80-R130 IonicContact OD1-NH2 2.62Å; D80-R130 PolarHBondContact OD1-NH2 3.24Å; D80-R130 IonicContact OD2-CZ 3.79Å; D80-R130 IonicContact OD2-NH1 3.59Å; D80-R130 PolarHBondContact OD2-NH1 3.04Å; D80-R130 IonicContact OD2-NH2 3.74Å; D80-R130 PolarHBondContact OD2-NH2 3.38Å; R126-R130 WeakPolarHBondContact O-CB 3.32Å; R126-R130 WeakPolarHBondContact O-CG 3.28Å; R126-R130 PolarHBondContact O-N 2.66Å; R126-R130 PolarHBondContact O-NE 3.29Å; W127-R130 PolarHBondContact O-N 3.38Å; W127-R130 VanDerWaalsContact O-N 3.11Å; K128-R130 VanDerWaalsContact C-N 3.34Å; K128-R130 PolarHBondContact O-N 2.9Å
131N77.5Confident63.6Low30 Ų3086 Ų8616%0.1646%0.459CS..THydrogen-bonded Turntrans-9812.4-174.5-62.6-41000114T63 L84 W127 K128 V133T63-N131 CarbonylContact O-C 3.42Å; L84-N131 HydrophobicContact CD1-CB 3.76Å; L84-N131 HydrophobicContact CD2-CB 4.3Å; W127-N131 PolarHBondContact NE1-ND2 3.22Å; W127-N131 PolarHBondContact O-N 3.39Å; W127-N131 PolarHBondContact O-ND2 2.95Å; K128-N131 PolarHBondContact O-N 3.4Å; N131-V133 HydrophobicContact CB-CG2 4.2Å; N131-V133 PolarHBondContact O-N 3.07Å
132N72.8Confident61Low107 Ų10783.3 Ų83.357%0.57246%0.456SS*.THydrogen-bonded Turntrans54.735.6179.6-159.843.5000114.1K128K128-N132 PolarHBondContact O-N 2.72Å
133V76.3Confident58.5Low12 Ų1286.4 Ų86.47%0.07347%0.469CS..  trans-85.6112.9174.7176.50000108.1Y87 W127 K128 N131Y87-V133 HydrophobicContact CD1-CG2 4.1Å; Y87-V133 HydrophobicContact CE1-CG1 4.35Å; Y87-V133 HydrophobicContact CE1-CG2 3.82Å; Y87-V133 HydrophobicContact CE2-CG1 3.78Å; Y87-V133 HydrophobicContact CE2-CG2 4.47Å; W127-V133 HydrophobicContact CH2-CG2 3.97Å; W127-V133 HydrophobicContact CZ3-CB 4.26Å; W127-V133 HydrophobicContact CZ3-CG1 4.41Å; W127-V133 HydrophobicContact CZ3-CG2 3.8Å; K128-V133 HydrophobicContact CB-CB 4.17Å; K128-V133 HydrophobicContact CG-CB 4.15Å; K128-V133 HydrophobicContact CG-CG1 4.13Å; K128-V133 PolarHBondContact O-N 2.91Å; N131-V133 HydrophobicContact CB-CG2 4.2Å; N131-V133 PolarHBondContact O-N 3.07Å
134G58.7Low55.7Low52 Ų5291.2 Ų91.254%0.53650%0.504SS..  trans-58147.6-169.700000115.5G136G134-G136 PolarHBondContact O-N 2.79Å
135F42.8Very low53.2Low149 Ų14998.8 Ų98.865%0.65454%0.537SS*.SBendtrans-76103.3160.8-75.6-92000108.1V125 A137V125-F135 HydrophobicContact CG1-CZ 4.38Å; F135-A137 PolarHBondContact O-N 3.21Å
136G40.6Very low51Low88 Ų88102.4 Ų102.491%0.90756%0.561SS**SBendtrans60.3-6.2158.200000119.2G134 R138G134-G136 PolarHBondContact O-N 2.79Å; G136-R138 PolarHBondContact O-N 2.98Å
137A29.7Very low48.8Very low80 Ų80100.3 Ų100.366%0.66157%0.571SS**  trans-86.4107.9176.300000108.2F135 H139F135-A137 PolarHBondContact O-N 3.21Å; A137-H139 PolarHBondContact O-N 2.83Å
138R34.2Very low46.5Very low185 Ų185108.7 Ų108.770%0.69861%0.61SS**  trans-42111.9153.9-75.1171.8147.4176.8-7107G136 V140G136-R138 PolarHBondContact O-N 2.98Å; R138-V140 HydrophobicContact CB-CG2 4.06Å; R138-V140 PolarHBondContact O-N 3.48Å
139H27Very low44.7Very low178 Ų178111.7 Ų111.782%0.82463%0.634SS**  trans-64.485.7147.8-96.3-85.7000104.5A137 L141A137-H139 PolarHBondContact O-N 2.83Å; H139-L141 PolarHBondContact O-N 2.79Å
140V26.4Very low43.2Very low108 Ų108109.2 Ų109.266%0.65564%0.638SS**  trans-56101.7153.2177.90000102.7R138 A142R138-V140 HydrophobicContact CB-CG2 4.06Å; R138-V140 PolarHBondContact O-N 3.48Å; V140-A142 PolarHBondContact O-N 2.85Å
141L28.2Very low41.6Very low153 Ų153111.2 Ų111.280%0.80166%0.66SS**  trans-6188154.7-72.2169.9000103.7H139 P143H139-L141 PolarHBondContact O-N 2.79Å; L141-P143 VanDerWaalsContact O-CD 3.25Å; L141-P143 WeakPolarHBondContact O-CD 3.4Å; L141-P143 VanDerWaalsContact O-N 3.13Å
142A25Very low39.8Very low73 Ų73116.5 Ų116.560%0.60370%0.695SS**  trans-53.9118.5160.500000104V140 S144V140-A142 PolarHBondContact O-N 2.85Å; A142-S144 PolarHBondContact O-N 2.82Å
143P27.5Very low38.2Very low104 Ų104114.2 Ų114.268%0.67570%0.698SS**  trans-56.4119173.5-18.429.9000106.5L141 F145L141-P143 VanDerWaalsContact O-CD 3.25Å; L141-P143 WeakPolarHBondContact O-CD 3.4Å; L141-P143 VanDerWaalsContact O-N 3.13Å; P143-F145 HydrophobicContact CB-CD2 3.83Å; P143-F145 HydrophobicContact CB-CE2 4.47Å; P143-F145 PolarHBondContact O-N 3Å
144S30.5Very low36.3Very low112 Ų112120.8 Ų120.878%0.78373%0.732SS**  trans-72.47416750.80000107.6A142A142-S144 PolarHBondContact O-N 2.82Å
145F32.2Very low35.2Very low170 Ų170124.3 Ų124.375%0.74674%0.743SS**  trans-130.2126.2163.5-67.8-73.5000107P143 S147P143-F145 HydrophobicContact CB-CD2 3.83Å; P143-F145 HydrophobicContact CB-CE2 4.47Å; P143-F145 PolarHBondContact O-N 3Å; F145-S147 PolarHBondContact O-N 3.49Å
146P35.3Very low35Very low127 Ų127123.3 Ų123.383%0.82575%0.754SS**PPolyproline II helixtrans-60.4127.9175.523.6-30.2000108.7E148P146-E148 PolarHBondContact O-N 2.74Å
147S35.6Very low34.8Very low111 Ų111126 Ų12678%0.77674%0.744SS**PPolyproline II helixtrans-56.8121.917161.20000108.1F145F145-S147 PolarHBondContact O-N 3.49Å
148E37.1Very low35Very low176 Ų176126.8 Ų126.882%0.82275%0.749SS**PPolyproline II helixtrans-54.2130.9166.6-165.9170.8-175.500108.5P146P146-E148 PolarHBondContact O-N 2.74Å
149P46.3Very low35.3Very low107 Ų107126.4 Ų126.470%0.69576%0.756SS**PPolyproline II helixtrans-62.6141-177.224-31.5000109.8
150P45.9Very low35.7Very low100 Ų100124.5 Ų124.565%0.64975%0.751SS**PPolyproline II helixtrans-58.8148.2-18024.1-33000110.7
151P43.8Very low36.6Very low114 Ų114125.3 Ų125.374%0.7476%0.758SS**PPolyproline II helixtrans-55.1136.417121.9-30.8000109.6G153P151-G153 PolarHBondContact O-N 3.24Å
152P40.4Very low38.1Very low140 Ų140120.7 Ų120.791%0.90973%0.734SS**SBendtrans-70.5104.9-177.626.2-31.7000110.1
153G39.6Very low40.2Very low60 Ų60119.6 Ų119.662%0.61972%0.722SS**  trans143.295162.700000114.3P151P151-G153 PolarHBondContact O-N 3.24Å
154L34.6Very low42.5Very low150 Ų150116.6 Ų116.679%0.78570%0.7SS**  177.189.3127.7-94.1146.8000107.7Q157L154-Q157 HydrophobicContact CD2-CG 4.49Å
155T36Very low44.6Very low125 Ų125119.8 Ų119.877%0.76770%0.7SS**  trans-53.3133.1161.230.80000109.7Q157T155-Q157 WeakPolarHBondContact O-CG 3.43Å; T155-Q157 PolarHBondContact O-N 2.83Å
156S40Very low47Very low129 Ų129116.8 Ų116.890%0.90269%0.692SS**  trans-14.689.1163.4166.40000113.6
157Q34.8Very low49.4Very low145 Ų145111.7 Ų111.768%0.67866%0.656SS**  trans-92130.6169.5-74.4-155.3-10.800109.2L154 T155 Q159L154-Q157 HydrophobicContact CD2-CG 4.49Å; T155-Q157 WeakPolarHBondContact O-CG 3.43Å; T155-Q157 PolarHBondContact O-N 2.83Å; Q157-Q159 PolarHBondContact O-N 2.91Å; Q157-Q159 VanDerWaalsContact O-N 3.15Å
158A34.1Very low51.9Low95 Ų95108.6 Ų108.679%0.78564%0.635SS**  trans-41119.1166.800000109.8L160A158-L160 PolarHBondContact O-N 3.28Å
159Q39.9Very low54.4Low177 Ų177101.8 Ų101.883%0.82761%0.606SS**  trans-64.1106.1-176.5-70.2-179.4-24.800109Q157Q157-Q159 PolarHBondContact O-N 2.91Å; Q157-Q159 VanDerWaalsContact O-N 3.15Å
160L35.3Very low56.5Low139 Ų139101.1 Ų101.173%0.72859%0.594SS**  trans-50147.1154.8-80.6143.3000108.4A158 L162A158-L160 PolarHBondContact O-N 3.28Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-L162 PolarHBondContact O-N 2.98Å
161P45.4Very low58.8Low125 Ų12598 Ų9881%0.81257%0.571SS**  trans-64.798175.725.8-31000108.8S163P161-S163 PolarHBondContact O-N 2.85Å
162L60.4Low61.1Low56 Ų5692.5 Ų92.529%0.29354%0.536SS..  trans-62127.5177.2-72.3156.7000108.8L160 F167 K283 L285L160-L162 VanDerWaalsContact C-N 3.35Å; L160-L162 PolarHBondContact O-N 2.98Å; L162-F167 HydrophobicContact CD2-CE2 4.46Å; L162-K283 HydrophobicContact CD1-CB 4.27Å; L162-K283 HydrophobicContact CD1-CD 3.5Å; L162-K283 HydrophobicContact CD1-CG 4.47Å; L162-K283 HydrophobicContact CD2-CD 3.96Å; L162-K283 HydrophobicContact CG-CD 4.4Å; L162-L285 HydrophobicContact CB-CD2 4.01Å
163S68.5Low63.7Low50 Ų5085.9 Ų85.935%0.3549%0.493SS..  trans-100.3147175.2-166.60000109.7P161 K165 D166P161-S163 PolarHBondContact O-N 2.85Å; S163-K165 PolarHBondContact O-N 3.1Å; S163-D166 PolarHBondContact N-OD2 3.29Å; S163-D166 WeakPolarHBondContact O-CB 3.4Å; S163-D166 PolarHBondContact O-N 2.78Å
164L75.9Confident66.2Low40 Ų4083 Ų8321%0.20946%0.463CS..G310 helixtrans-56.9-19.5169.2-73.1171.2000112.9D166 F167 V172 L264 L285L164-D166 PolarHBondContact O-N 3.13Å; L164-F167 PolarHBondContact O-N 3.16Å; L164-V172 HydrophobicContact CD2-CG1 3.94Å; L164-V172 HydrophobicContact CD2-CG2 4.22Å; L164-L264 HydrophobicContact CD1-CD2 4.4Å; L164-L264 HydrophobicContact CD2-CD2 3.87Å; L164-L285 HydrophobicContact CD2-CD1 3.5Å; L164-L285 VanDerWaalsContact CD2-CD1 3.5Å; L164-L285 HydrophobicContact CG-CD1 4.17Å
165K75.9Confident69Low179 Ų17976.1 Ų76.178%0.77843%0.427SS*.G310 helixtrans-68.5-17.7175.3-62.7-179.2-178.9178.20113.6S163 F167S163-K165 PolarHBondContact O-N 3.1Å; K165-F167 VanDerWaalsContact C-N 3.27Å
166D81.4Confident71.6Confident108 Ų10870.8 Ų70.858%0.57840%0.396SS*.G310 helixtrans-82.6-8.5-179.1-54.7-34.8000112.2S163 L164S163-D166 PolarHBondContact N-OD2 3.29Å; S163-D166 WeakPolarHBondContact O-CB 3.4Å; S163-D166 PolarHBondContact O-N 2.78Å; L164-D166 PolarHBondContact O-N 3.13Å
167F85.6Confident74.1Confident19 Ų1968.4 Ų68.48%0.08337%0.371CS..SBendtrans-116146.1-176.5-66.1-90.2000111.3L162 L164 K165 D171 V172 A262 K283 P367L162-F167 HydrophobicContact CD2-CE2 4.46Å; L164-F167 PolarHBondContact O-N 3.16Å; K165-F167 VanDerWaalsContact C-N 3.27Å; F167-D171 HydrophobicContact CB-CB 4.49Å; F167-D171 HydrophobicContact CD1-CB 4.25Å; F167-V172 HydrophobicContact CB-CG2 3.6Å; F167-A262 HydrophobicContact CD1-CB 3.89Å; F167-A262 HydrophobicContact CD2-CB 3.77Å; F167-A262 HydrophobicContact CE1-CB 3.94Å; F167-A262 HydrophobicContact CE2-CB 3.83Å; F167-A262 HydrophobicContact CG-CB 3.79Å; F167-A262 HydrophobicContact CZ-CB 3.91Å; F167-K283 HydrophobicContact CZ-CB 4.4Å; F167-K283 HydrophobicContact CZ-CD 3.99Å; F167-K283 HydrophobicContact CZ-CG 4.39Å; F167-P367 VanDerWaalsContact O-CG 3.22Å; F167-P367 WeakPolarHBondContact O-CG 3.31Å
168S89.4Confident76.7Confident46 Ų4662 Ų6232%0.32234%0.341SS..  trans-71.6155.9169.284.90000110E170 D171 V172S168-E170 PolarHBondContact O-N 3.37Å; S168-E170 PolarHBondContact OG-N 2.93Å; S168-D171 WeakPolarHBondContact CB-OD2 3.46Å; S168-D171 PolarHBondContact O-N 2.87Å; S168-D171 VanDerWaalsContact OG-CG 3.31Å; S168-D171 PolarHBondContact OG-N 3.46Å; S168-D171 PolarHBondContact OG-OD2 3.21Å; S168-V172 PolarHBondContact O-N 3.43Å
169P87.9Confident79.5Confident33 Ų3359.3 Ų59.321%0.21432%0.316CS..THydrogen-bonded Turntrans-57.4-21.9173.8-24.434000113.9D171 S203 R204 F357 P367P169-D171 VanDerWaalsContact C-N 3.35Å; P169-S203 VanDerWaalsContact C-OG 3.3Å; P169-S203 WeakPolarHBondContact CA-OG 3.31Å; P169-S203 WeakPolarHBondContact CB-OG 3.48Å; P169-S203 PolarHBondContact O-N 3.05Å; P169-S203 PolarHBondContact O-OG 3.18Å; P169-R204 HydrophobicContact CB-CB 4.31Å; P169-R204 PolarHBondContact O-N 2.95Å; P169-R204 VanDerWaalsContact O-N 3.08Å; P169-F357 HydrophobicContact CB-CE2 4.41Å; P169-P367 HydrophobicContact CG-CG 4.04Å
170E92.1Very high81.9Confident94 Ų9450.9 Ų50.944%0.43928%0.276SS..THydrogen-bonded Turntrans-77.1-25.2177.7-58.8-170.8176.400112.4S168 N202 R204 R259S168-E170 PolarHBondContact O-N 3.37Å; S168-E170 PolarHBondContact OG-N 2.93Å; E170-N202 WeakPolarHBondContact CA-ND2 3.49Å; E170-N202 WeakPolarHBondContact O-CB 3.17Å; E170-N202 PolarHBondContact O-ND2 3.01Å; E170-N202 VanDerWaalsContact O-ND2 3.16Å; E170-R204 HydrophobicContact CG-CB 4.05Å; E170-R204 HydrophobicContact CG-CG 4.07Å; E170-R259 VanDerWaalsContact C-NH2 3.3Å; E170-R259 PolarHBondContact O-NH2 3.4Å
171D92.7Very high84.5Confident33 Ų3345.6 Ų45.618%0.17625%0.248CC..THydrogen-bonded Turntrans-101.42.1-176.7-57.9-49.3000113.3F167 S168 P169 R259 V261 A262F167-D171 HydrophobicContact CB-CB 4.49Å; F167-D171 HydrophobicContact CD1-CB 4.25Å; S168-D171 WeakPolarHBondContact CB-OD2 3.46Å; S168-D171 PolarHBondContact O-N 2.87Å; S168-D171 VanDerWaalsContact OG-CG 3.31Å; S168-D171 PolarHBondContact OG-N 3.46Å; S168-D171 PolarHBondContact OG-OD2 3.21Å; P169-D171 VanDerWaalsContact C-N 3.35Å; D171-R259 IonicContact OD1-CZ 3.07Å; D171-R259 VanDerWaalsContact OD1-CZ 3.26Å; D171-R259 IonicContact OD1-NE 2.61Å; D171-R259 PolarHBondContact OD1-NE 3.03Å; D171-R259 IonicContact OD1-NH2 3.58Å; D171-R259 PolarHBondContact OD1-NH2 3.4Å; D171-V261 HydrophobicContact CB-CB 4.48Å; D171-V261 HydrophobicContact CB-CG1 4.08Å; D171-V261 CarbonylContact O-C 3.53Å; D171-V261 VanDerWaalsContact O-CA 3.28Å; D171-V261 WeakPolarHBondContact O-CA 3.39Å; D171-V261 VanDerWaalsContact O-CB 3.3Å; D171-V261 WeakPolarHBondContact O-CB 3.5Å; D171-A262 PolarHBondContact O-N 3Å
172V92.7Very high86.7Confident0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-100.3118.7172.4178.10000108.7L164 F167 S168 N202 S203 A262 L264L164-V172 HydrophobicContact CD2-CG1 3.94Å; L164-V172 HydrophobicContact CD2-CG2 4.22Å; F167-V172 HydrophobicContact CB-CG2 3.6Å; S168-V172 PolarHBondContact O-N 3.43Å; V172-N202 CarbonylContact O-C 3.51Å; V172-N202 WeakPolarHBondContact O-CA 3.45Å; V172-S203 PolarHBondContact O-N 3.12Å; V172-A262 HydrophobicContact CG2-CB 4.5Å; V172-L264 HydrophobicContact CG1-CD1 4Å; V172-L264 HydrophobicContact CG1-CG 4.27Å
173F94.8Very high88.1Confident0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-111.8140.9178.7-74.6-102.3000111.4A201 N202 E207 F250 M254 V261 A262 L263 L264F173-A201 WeakPolarHBondContact CA-O 3.44Å; F173-N202 HydrophobicContact CD1-CB 4Å; F173-N202 HydrophobicContact CD2-CB 4.22Å; F173-N202 HydrophobicContact CE1-CB 3.77Å; F173-N202 HydrophobicContact CE2-CB 3.99Å; F173-N202 HydrophobicContact CG-CB 4.22Å; F173-N202 HydrophobicContact CZ-CB 3.77Å; F173-E207 HydrophobicContact CE1-CB 4.27Å; F173-E207 HydrophobicContact CE1-CG 4.18Å; F173-E207 HydrophobicContact CZ-CB 4.33Å; F173-E207 HydrophobicContact CZ-CG 4.33Å; F173-E207 WeakPolarHBondContact CZ-OE2 3.39Å; F173-F250 HydrophobicContact CB-CZ 4.33Å; F173-F250 HydrophobicContact CD1-CE2 4.26Å; F173-F250 HydrophobicContact CD1-CZ 4.05Å; F173-F250 HydrophobicContact CD2-CZ 4.03Å; F173-F250 HydrophobicContact CE1-CE2 4.27Å; F173-F250 HydrophobicContact CE1-CZ 4.34Å; F173-F250 HydrophobicContact CE2-CZ 4.33Å; F173-F250 AromaticContact CG-CZ 3.88Å; F173-F250 HydrophobicContact CG-CZ 3.88Å; F173-F250 HydrophobicContact CZ-CZ 4.47Å; F173-M254 HydrophobicContact CZ-CE 4.38Å; F173-V261 HydrophobicContact CD2-CB 4.13Å; F173-V261 HydrophobicContact CD2-CG1 4.42Å; F173-V261 HydrophobicContact CD2-CG2 4.47Å; F173-V261 HydrophobicContact CE2-CB 4.22Å; F173-V261 HydrophobicContact CE2-CG1 4Å; F173-A262 PolarHBondContact N-O 3.45Å; F173-L263 HydrophobicContact CB-CD1 3.61Å; F173-L264 WeakPolarHBondContact O-CB 3.17Å; F173-L264 PolarHBondContact O-N 3.36Å
174G93.4Very high89Confident0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-115.8141.8171.100000111.5C200 A201 P295G174-C200 VanDerWaalsContact O-CA 3.29Å; G174-C200 WeakPolarHBondContact O-CA 3.33Å; G174-A201 PolarHBondContact N-O 3.11Å; G174-A201 PolarHBondContact O-N 3.42Å; G174-P295 WeakPolarHBondContact CA-O 3.1Å
175C92.8Very high89.4Confident5 Ų536.8 Ų36.83%0.03419%0.186CC..EExtended strand (participates in β ladder)trans-116.1139.1173.1-70.30000111.8L198 L199 C200 W243 L265 P295 L296C175-L198 HydrophobicContact CB-CD1 4.16Å; C175-L199 CarbonylContact C-O 3.51Å; C175-L199 VanDerWaalsContact CA-O 3.25Å; C175-L199 WeakPolarHBondContact CA-O 3.39Å; C175-C200 VanDerWaalsContact SG-CB 3.56Å; C175-C200 PolarHBondContact SG-SG 3.06Å; C175-W243 HydrophobicContact CB-CH2 4.05Å; C175-L265 HydrophobicContact CB-CD2 3.83Å; C175-P295 WeakPolarHBondContact O-CB 3.28Å; C175-L296 PolarHBondContact O-N 3.46Å
176A91.3Very high89.7Confident13 Ų1330.1 Ų30.111%0.10716%0.161CC..EExtended strand (participates in β ladder)trans-119.9126.2162.900000109.5L178 L198 L199 L296 V301A176-L178 HydrophobicContact CB-CD2 4.12Å; A176-L198 WeakPolarHBondContact O-CA 3.47Å; A176-L199 PolarHBondContact N-O 3.4Å; A176-L199 PolarHBondContact O-N 3.01Å; A176-L296 HydrophobicContact CB-CB 3.83Å; A176-L296 HydrophobicContact CB-CD2 3.69Å; A176-L296 HydrophobicContact CB-CG 4.33Å; A176-V301 HydrophobicContact CB-CG2 3.56Å
177E91.2Very high89.1Confident80 Ų8029.3 Ų29.337%0.37418%0.178SC..EExtended strand (participates in β ladder)trans-96.4123.8163.1-161.7-169.1146.700107.6Q196 V197 L198 V241E177-Q196 HydrophobicContact CG-CG 3.9Å; E177-Q196 VanDerWaalsContact CG-NE2 3.3Å; E177-Q196 PolarHBondContact OE1-NE2 2.98Å; E177-V197 WeakPolarHBondContact CA-O 3.4Å; E177-L198 HydrophobicContact CB-CD1 4.48Å; E177-V241 HydrophobicContact CG-CG2 3.66Å
178L90.9Very high88.2Confident9 Ų931.8 Ų31.85%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-141.7147.7-178.862.9141.1000112.7A176 Q196 V197 L199 V301 F304 K305A176-L178 HydrophobicContact CB-CD2 4.12Å; L178-Q196 PolarHBondContact O-OE1 3.4Å; L178-V197 HydrophobicContact CD2-CB 4.32Å; L178-V197 HydrophobicContact CG-CB 4.15Å; L178-V197 PolarHBondContact N-O 3.28Å; L178-V197 PolarHBondContact O-N 2.98Å; L178-L199 HydrophobicContact CD2-CD1 3.79Å; L178-L199 HydrophobicContact CD2-CG 3.97Å; L178-V301 HydrophobicContact CD1-CG1 3.87Å; L178-V301 HydrophobicContact CD2-CG1 4.07Å; L178-V301 HydrophobicContact CG-CG1 4.41Å; L178-F304 HydrophobicContact CD1-CD1 4.41Å; L178-F304 HydrophobicContact CD1-CE1 4.33Å; L178-K305 HydrophobicContact CD1-CD 4.43Å; L178-K305 VanDerWaalsContact CD1-CE 3.47Å; L178-K305 HydrophobicContact CD1-CG 4.19Å
179P91.1Very high86.6Confident40 Ų4036.6 Ų36.626%0.2621%0.213SC..EExtended strand (participates in β ladder)trans-72.3145165.833.5-37.2000110.5Q194 E399P179-Q194 HydrophobicContact CB-CG 4.12Å; P179-E399 HydrophobicContact CG-CB 4.04Å; P179-E399 HydrophobicContact CG-CG 4.42Å
180L91.3Very high84.9Confident0 Ų036.8 Ų36.80%022%0.221CC..EExtended strand (participates in β ladder)trans-134.4119.7174.4-179.669.4000110.4Y182 V195 V197 Y308L180-Y182 PolarHBondContact O-N 3.48Å; L180-V195 HydrophobicContact CB-CG2 4.06Å; L180-V195 HydrophobicContact CD2-CG2 4.35Å; L180-V195 HydrophobicContact CG-CG2 4.5Å; L180-V195 PolarHBondContact N-O 2.94Å; L180-V195 PolarHBondContact O-N 3.23Å; L180-V197 HydrophobicContact CB-CG2 3.44Å; L180-V197 VanDerWaalsContact CB-CG2 3.44Å; L180-V197 HydrophobicContact CD2-CG2 3.75Å; L180-V197 HydrophobicContact CG-CG2 4.23Å; L180-Y308 HydrophobicContact CD1-CD1 3.83Å; L180-Y308 HydrophobicContact CD1-CE1 4.04Å; L180-Y308 HydrophobicContact CD1-CG 4.2Å; L180-Y308 HydrophobicContact CD2-CD1 4.3Å; L180-Y308 HydrophobicContact CD2-CD2 3.93Å; L180-Y308 HydrophobicContact CD2-CE1 4.06Å; L180-Y308 HydrophobicContact CD2-CE2 3.67Å; L180-Y308 HydrophobicContact CD2-CG 4.25Å; L180-Y308 HydrophobicContact CG-CD1 4.46Å; L180-Y308 HydrophobicContact CG-CE1 4.22Å
181L90.8Very high83Confident27 Ų2737.7 Ų37.714%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-81.992.9172.6-58.5177.6000109.1R183 A184 C192 Q194 L398 E399L181-R183 PolarHBondContact O-N 3.04Å; L181-A184 HydrophobicContact CB-CB 3.75Å; L181-A184 WeakPolarHBondContact O-CB 3.44Å; L181-A184 PolarHBondContact O-N 2.9Å; L181-C192 HydrophobicContact CB-CB 3.97Å; L181-C192 HydrophobicContact CD1-CB 4.07Å; L181-C192 HydrophobicContact CD2-CB 3.73Å; L181-C192 HydrophobicContact CG-CB 4.11Å; L181-Q194 HydrophobicContact CD2-CB 3.92Å; L181-Q194 HydrophobicContact CD2-CG 4.18Å; L181-L398 HydrophobicContact CD1-CD2 3.84Å; L181-L398 HydrophobicContact CD1-CG 4.12Å; L181-E399 HydrophobicContact CD1-CG 3.98Å; L181-E399 HydrophobicContact CG-CG 3.74Å; L181-E399 PolarHBondContact N-OE1 2.8Å
182Y90Very high81.5Confident15 Ų1537.8 Ų37.86%0.05925%0.248CC..THydrogen-bonded Turntrans-76.1-12.7-167.575.9-92.3000114.2L180 D193 V195 Y308 I335 V337 A340L180-Y182 PolarHBondContact O-N 3.48Å; Y182-D193 HydrophobicContact CD1-CB 4.07Å; Y182-D193 WeakPolarHBondContact CD1-O 3.49Å; Y182-D193 HydrophobicContact CE1-CB 3.2Å; Y182-D193 WeakPolarHBondContact CE1-O 3.45Å; Y182-D193 PolarHBondContact N-O 3.49Å; Y182-D193 WeakPolarHBondContact OH-CB 3.45Å; Y182-D193 PolarHBondContact OH-OD2 3.2Å; Y182-V195 HydrophobicContact CD1-CG1 3.76Å; Y182-V195 HydrophobicContact CD1-CG2 4.24Å; Y182-V195 HydrophobicContact CE1-CG1 3.99Å; Y182-Y308 VanDerWaalsContact CA-OH 3.31Å; Y182-Y308 WeakPolarHBondContact CA-OH 3.29Å; Y182-Y308 WeakPolarHBondContact CB-OH 3.44Å; Y182-Y308 PolarHBondContact O-OH 3.23Å; Y182-I335 HydrophobicContact CD2-CG2 4.12Å; Y182-V337 HydrophobicContact CE1-CG2 4.31Å; Y182-V337 HydrophobicContact CE2-CG2 4.37Å; Y182-A340 HydrophobicContact CD2-CB 3.76Å; Y182-A340 HydrophobicContact CG-CB 3.86Å
183R89.4Confident80.9Confident62 Ų6241.3 Ų41.323%0.23427%0.267CS..THydrogen-bonded Turntrans-111.211.2175.7-59.9-172.2168.5176.3-13.4113.7L181 D193 A332 A333 I335L181-R183 PolarHBondContact O-N 3.04Å; R183-D193 VanDerWaalsContact CD-OD2 3.25Å; R183-D193 WeakPolarHBondContact CD-OD2 3.27Å; R183-D193 IonicContact CZ-OD2 2.72Å; R183-D193 VanDerWaalsContact CZ-OD2 3.25Å; R183-D193 IonicContact NE-OD2 3.71Å; R183-D193 PolarHBondContact NE-OD2 3.18Å; R183-D193 IonicContact NH1-OD2 2.65Å; R183-D193 PolarHBondContact NH1-OD2 3.1Å; R183-A332 WeakPolarHBondContact CD-O 3.37Å; R183-A332 WeakPolarHBondContact O-CB 3.32Å; R183-A333 PolarHBondContact NH2-O 3.34Å; R183-A333 VanDerWaalsContact NH2-O 3.11Å; R183-I335 HydrophobicContact CG-CB 4.34Å; R183-I335 PolarHBondContact NE-O 3Å; R183-I335 PolarHBondContact NH2-O 3.3Å
184A87.8Confident80.5Confident0 Ų045.5 Ų45.50%029%0.286CS..  trans-65.7146.1-172.800000112.6L181 L312 F395 L398L181-A184 HydrophobicContact CB-CB 3.75Å; L181-A184 WeakPolarHBondContact O-CB 3.44Å; L181-A184 PolarHBondContact O-N 2.9Å; A184-L312 WeakPolarHBondContact O-CD2 3.43Å; A184-F395 HydrophobicContact CB-CE2 3.98Å; A184-F395 HydrophobicContact CB-CZ 4.38Å; A184-F395 WeakPolarHBondContact O-CZ 3.38Å; A184-L398 HydrophobicContact CB-CD2 3.65Å
185V85Confident80.4Confident10 Ų1045.7 Ų45.76%0.06129%0.287CS..BIsolated β-bridgetrans-130.4138.9-178.6179.60000109.1G187 N188 L316 L328 A332 F395V185-G187 PolarHBondContact O-N 2.68Å; V185-N188 HydrophobicContact CB-CB 4.3Å; V185-N188 PolarHBondContact O-N 2.98Å; V185-L316 HydrophobicContact CG2-CD1 4.2Å; V185-L328 HydrophobicContact CB-CG 4.49Å; V185-L328 HydrophobicContact CG1-CB 4.19Å; V185-L328 HydrophobicContact CG1-CD2 3.17Å; V185-L328 HydrophobicContact CG1-CG 3.37Å; V185-L328 HydrophobicContact CG2-CG 4.26Å; V185-A332 HydrophobicContact CG2-CB 3.49Å; V185-A332 VanDerWaalsContact CG2-CB 3.49Å; V185-F395 VanDerWaalsContact C-CE2 3.44Å
186P81.5Confident80.4Confident38 Ų3846.7 Ų46.725%0.24729%0.292CS..THydrogen-bonded Turntrans-55.5132175.5-2433.3000111.4N188 L313 L387 F395P186-N188 VanDerWaalsContact C-N 3.28Å; P186-N188 PolarHBondContact O-N 3.44Å; P186-L313 HydrophobicContact CG-CD1 4.36Å; P186-L313 HydrophobicContact CG-CD2 3.83Å; P186-L387 HydrophobicContact CB-CD2 4.07Å; P186-L387 HydrophobicContact CG-CD1 3.97Å; P186-L387 HydrophobicContact CG-CD2 4.32Å; P186-F395 HydrophobicContact CB-CD2 4.42Å; P186-F395 HydrophobicContact CG-CD1 4.17Å; P186-F395 HydrophobicContact CG-CD2 4.06Å; P186-F395 HydrophobicContact CG-CE1 4.15Å; P186-F395 HydrophobicContact CG-CE2 4.05Å; P186-F395 HydrophobicContact CG-CG 4.12Å; P186-F395 HydrophobicContact CG-CZ 4.11Å
187G69.6Low80.5Confident91 Ų9146.1 Ų46.194%0.93829%0.287SS*.THydrogen-bonded Turntrans78.6-0.4178.200000115.9V185V185-G187 PolarHBondContact O-N 2.68Å
188N67.6Low80.8Confident71 Ų7142.4 Ų42.438%0.3827%0.27SS..BIsolated β-bridgetrans-113.7111.8173.7-169.2-5.4000110.5V185 P186 G190V185-N188 HydrophobicContact CB-CB 4.3Å; V185-N188 PolarHBondContact O-N 2.98Å; P186-N188 VanDerWaalsContact C-N 3.28Å; P186-N188 PolarHBondContact O-N 3.44Å; N188-G190 PolarHBondContact OD1-N 2.92Å
189L54Low81Confident147 Ų14742 Ų4277%0.7727%0.267SS*.  trans-93.87.9176.9-64.5170.9000112.7L398L189-L398 HydrophobicContact CD2-CD1 3.96Å
190G52Low81.3Confident37 Ų3740.1 Ų40.138%0.38126%0.255SS..SBendtrans-65.9166.8-178.800000113.5N188 C192N188-G190 PolarHBondContact OD1-N 2.92Å; G190-C192 PolarHBondContact O-N 3.16Å; G190-C192 PolarHBondContact O-SG 3.12Å
191A52.5Low81.5Confident114 Ų11440.1 Ų40.194%0.94226%0.255SS*.  trans-43.997.2-178.300000111.9
192C61.5Low81.7Confident34 Ų3438.9 Ų38.923%0.2325%0.249CC..  trans-95.7121.6-179.5-80.40000107.8L181 G190 Q194L181-C192 HydrophobicContact CB-CB 3.97Å; L181-C192 HydrophobicContact CD1-CB 4.07Å; L181-C192 HydrophobicContact CD2-CB 3.73Å; L181-C192 HydrophobicContact CG-CB 4.11Å; G190-C192 PolarHBondContact O-N 3.16Å; G190-C192 PolarHBondContact O-SG 3.12Å; C192-Q194 PolarHBondContact O-N 3.2Å
193D81Confident81.9Confident74 Ų7438.2 Ų38.240%0.39625%0.246SC..  trans-56.6124.4172.1-62.9-46.4000109.2Y182 R183Y182-D193 HydrophobicContact CD1-CB 4.07Å; Y182-D193 WeakPolarHBondContact CD1-O 3.49Å; Y182-D193 HydrophobicContact CE1-CB 3.2Å; Y182-D193 WeakPolarHBondContact CE1-O 3.45Å; Y182-D193 PolarHBondContact N-O 3.49Å; Y182-D193 WeakPolarHBondContact OH-CB 3.45Å; Y182-D193 PolarHBondContact OH-OD2 3.2Å; R183-D193 VanDerWaalsContact CD-OD2 3.25Å; R183-D193 WeakPolarHBondContact CD-OD2 3.27Å; R183-D193 IonicContact CZ-OD2 2.72Å; R183-D193 VanDerWaalsContact CZ-OD2 3.25Å; R183-D193 IonicContact NE-OD2 3.71Å; R183-D193 PolarHBondContact NE-OD2 3.18Å; R183-D193 IonicContact NH1-OD2 2.65Å; R183-D193 PolarHBondContact NH1-OD2 3.1Å
194Q86.3Confident82Confident89 Ų8940.4 Ų40.442%0.41625%0.254SS..EExtended strand (participates in β ladder)trans-106.8140.1-175-176.3-178.6-3100110.2P179 L181 C192P179-Q194 HydrophobicContact CB-CG 4.12Å; L181-Q194 HydrophobicContact CD2-CB 3.92Å; L181-Q194 HydrophobicContact CD2-CG 4.18Å; C192-Q194 PolarHBondContact O-N 3.2Å
195V90.7Very high82.2Confident3 Ų340.5 Ų40.52%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-122.1153.8166.4-66.50000109.3L180 Y182 V197 L213 G214L180-V195 HydrophobicContact CB-CG2 4.06Å; L180-V195 HydrophobicContact CD2-CG2 4.35Å; L180-V195 HydrophobicContact CG-CG2 4.5Å; L180-V195 PolarHBondContact N-O 2.94Å; L180-V195 PolarHBondContact O-N 3.23Å; Y182-V195 HydrophobicContact CD1-CG1 3.76Å; Y182-V195 HydrophobicContact CD1-CG2 4.24Å; Y182-V195 HydrophobicContact CE1-CG1 3.99Å; V195-V197 HydrophobicContact CG2-CG2 4.47Å; V195-L213 HydrophobicContact CG2-CD2 4.09Å; V195-G214 CarbonylContact C-O 3.59Å; V195-G214 WeakPolarHBondContact CA-O 3.38Å; V195-G214 WeakPolarHBondContact CB-O 3.41Å
196Q92.4Very high82.5Confident27 Ų2744.2 Ų44.213%0.12628%0.278CS..EExtended strand (participates in β ladder)trans-91.6136.5171.2-162.170.7-1300109.5E177 L178 L213 G214 L239E177-Q196 HydrophobicContact CG-CG 3.9Å; E177-Q196 VanDerWaalsContact CG-NE2 3.3Å; E177-Q196 PolarHBondContact OE1-NE2 2.98Å; L178-Q196 PolarHBondContact O-OE1 3.4Å; Q196-L213 CarbonylContact O-C 3.51Å; Q196-L213 VanDerWaalsContact O-CA 3.31Å; Q196-L213 WeakPolarHBondContact O-CA 3.45Å; Q196-G214 PolarHBondContact N-O 3.09Å; Q196-G214 PolarHBondContact O-N 3.33Å; Q196-L239 WeakPolarHBondContact CB-O 3.25Å; Q196-L239 VanDerWaalsContact CG-O 3.28Å; Q196-L239 WeakPolarHBondContact CG-O 3.27Å
197V94.9Very high83.1Confident0 Ų044 Ų440%027%0.274CS..EExtended strand (participates in β ladder)trans-120.8128.3179.4-165.20000109.2E177 L178 L180 V195 L199 V211 L212 L213 F304E177-V197 WeakPolarHBondContact CA-O 3.4Å; L178-V197 HydrophobicContact CD2-CB 4.32Å; L178-V197 HydrophobicContact CG-CB 4.15Å; L178-V197 PolarHBondContact N-O 3.28Å; L178-V197 PolarHBondContact O-N 2.98Å; L180-V197 HydrophobicContact CB-CG2 3.44Å; L180-V197 VanDerWaalsContact CB-CG2 3.44Å; L180-V197 HydrophobicContact CD2-CG2 3.75Å; L180-V197 HydrophobicContact CG-CG2 4.23Å; V195-V197 HydrophobicContact CG2-CG2 4.47Å; V197-L199 HydrophobicContact CG1-CD2 3.85Å; V197-L199 HydrophobicContact CG1-CG 4.19Å; V197-V211 HydrophobicContact CG1-CG1 3.52Å; V197-L212 WeakPolarHBondContact CA-O 3.35Å; V197-L213 HydrophobicContact CB-CD2 4.06Å; V197-L213 HydrophobicContact CG1-CD2 3.91Å; V197-L213 HydrophobicContact CG2-CD2 3.5Å; V197-F304 HydrophobicContact CG1-CE1 4.44Å; V197-F304 HydrophobicContact CG1-CZ 4.19Å
198L95.6Very high84.4Confident3 Ų342.3 Ų42.32%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-104.9117.8166.8178.575.3000109.3C175 A176 E177 L212 V241 W243 W246C175-L198 HydrophobicContact CB-CD1 4.16Å; A176-L198 WeakPolarHBondContact O-CA 3.47Å; E177-L198 HydrophobicContact CB-CD1 4.48Å; L198-L212 HydrophobicContact CB-CB 4.15Å; L198-L212 HydrophobicContact CB-CD2 4.38Å; L198-L212 HydrophobicContact CD2-CD2 4.03Å; L198-L212 PolarHBondContact N-O 3.03Å; L198-L212 PolarHBondContact O-N 3.1Å; L198-V241 HydrophobicContact CB-CG2 4.1Å; L198-V241 HydrophobicContact CD2-CG1 3.82Å; L198-W243 HydrophobicContact CD1-CH2 3.58Å; L198-W243 HydrophobicContact CD1-CZ2 3.88Å; L198-W243 HydrophobicContact CD1-CZ3 4.37Å; L198-W246 HydrophobicContact CD2-CD2 3.96Å; L198-W246 HydrophobicContact CD2-CG 4.08Å; L198-W246 HydrophobicContact CD2-CZ2 4.21Å
199L96.4Very high85.7Confident0 Ų041.1 Ų41.10%023%0.231CC..EExtended strand (participates in β ladder)trans-105.2140.1171.9-57.6178.6000109.1C175 A176 L178 V197 V211 L296 F304 W348C175-L199 CarbonylContact C-O 3.51Å; C175-L199 VanDerWaalsContact CA-O 3.25Å; C175-L199 WeakPolarHBondContact CA-O 3.39Å; A176-L199 PolarHBondContact N-O 3.4Å; A176-L199 PolarHBondContact O-N 3.01Å; L178-L199 HydrophobicContact CD2-CD1 3.79Å; L178-L199 HydrophobicContact CD2-CG 3.97Å; V197-L199 HydrophobicContact CG1-CD2 3.85Å; V197-L199 HydrophobicContact CG1-CG 4.19Å; L199-V211 HydrophobicContact CD2-CG1 4.11Å; L199-V211 HydrophobicContact CD2-CG2 3.96Å; L199-L296 HydrophobicContact CB-CD2 3.87Å; L199-F304 HydrophobicContact CD1-CB 3.99Å; L199-F304 HydrophobicContact CD1-CD1 3.68Å; L199-F304 HydrophobicContact CD1-CD2 4.16Å; L199-F304 HydrophobicContact CD1-CE1 4.2Å; L199-F304 HydrophobicContact CD1-CG 3.66Å; L199-F304 HydrophobicContact CD2-CD2 4.18Å; L199-F304 HydrophobicContact CD2-CE2 4.04Å; L199-F304 HydrophobicContact CD2-CG 4.48Å; L199-F304 HydrophobicContact CD2-CZ 4.24Å; L199-W348 HydrophobicContact CB-CH2 4.37Å; L199-W348 HydrophobicContact CB-CZ2 4.35Å; L199-W348 HydrophobicContact CD1-CE3 4.23Å; L199-W348 HydrophobicContact CD1-CZ3 4.17Å; L199-W348 HydrophobicContact CD2-CD2 4Å; L199-W348 HydrophobicContact CD2-CE3 4.17Å; L199-W348 HydrophobicContact CD2-CG 4.23Å
200C96.3Very high87.5Confident1 Ų140.1 Ų40.11%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-145.4132.7173.8177.80000110.8G174 C175 R209 W246G174-C200 VanDerWaalsContact O-CA 3.29Å; G174-C200 WeakPolarHBondContact O-CA 3.33Å; C175-C200 VanDerWaalsContact SG-CB 3.56Å; C175-C200 PolarHBondContact SG-SG 3.06Å; C200-R209 HydrophobicContact CB-CB 3.87Å; C200-R209 HydrophobicContact CB-CG 3.74Å; C200-R209 PolarHBondContact O-N 3Å; C200-R209 VanDerWaalsContact SG-CG 3.57Å; C200-W246 HydrophobicContact CB-CH2 4.14Å; C200-W246 HydrophobicContact CB-CZ2 3.9Å
201A96.8Very high89.5Confident0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-144.9155.2175.700000110.7F173 G174 E207 K208 L296 W348 I356F173-A201 WeakPolarHBondContact CA-O 3.44Å; G174-A201 PolarHBondContact N-O 3.11Å; G174-A201 PolarHBondContact O-N 3.42Å; A201-E207 VanDerWaalsContact CA-O 3.28Å; A201-E207 WeakPolarHBondContact CA-O 3.44Å; A201-K208 HydrophobicContact CB-CG 4.2Å; A201-L296 HydrophobicContact CB-CD1 4.46Å; A201-W348 HydrophobicContact CB-CH2 4.09Å; A201-W348 HydrophobicContact CB-CZ2 3.82Å; A201-I356 HydrophobicContact CB-CD1 4.28Å; A201-I356 HydrophobicContact CB-CG2 4.39Å
202N95.1Very high91.5Very high1 Ų133.8 Ų33.81%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-74.715816773.2-9.4000111.3E170 V172 F173 R204 G205 T206 E207E170-N202 WeakPolarHBondContact CA-ND2 3.49Å; E170-N202 WeakPolarHBondContact O-CB 3.17Å; E170-N202 PolarHBondContact O-ND2 3.01Å; E170-N202 VanDerWaalsContact O-ND2 3.16Å; V172-N202 CarbonylContact O-C 3.51Å; V172-N202 WeakPolarHBondContact O-CA 3.45Å; F173-N202 HydrophobicContact CD1-CB 4Å; F173-N202 HydrophobicContact CD2-CB 4.22Å; F173-N202 HydrophobicContact CE1-CB 3.77Å; F173-N202 HydrophobicContact CE2-CB 3.99Å; F173-N202 HydrophobicContact CG-CB 4.22Å; F173-N202 HydrophobicContact CZ-CB 3.77Å; N202-R204 PolarHBondContact O-N 3.07Å; N202-G205 PolarHBondContact O-N 3.1Å; N202-G205 WeakPolarHBondContact OD1-CA 3.44Å; N202-G205 PolarHBondContact OD1-N 3.23Å; N202-T206 PolarHBondContact ND2-OG1 3.22Å; N202-T206 PolarHBondContact OD1-N 3.41Å; N202-E207 HydrophobicContact CB-CB 4.45Å; N202-E207 PolarHBondContact N-O 3.14Å; N202-E207 PolarHBondContact OD1-N 2.9Å; N202-E207 PolarHBondContact OD1-O 3.49Å
203S92.8Very high93Very high0 Ų032.1 Ų32.10%015%0.147CC..THydrogen-bonded Turntrans-66.5-23.8-176.377.90000111.9P169 V172 G205 F357 F360P169-S203 VanDerWaalsContact C-OG 3.3Å; P169-S203 WeakPolarHBondContact CA-OG 3.31Å; P169-S203 WeakPolarHBondContact CB-OG 3.48Å; P169-S203 PolarHBondContact O-N 3.05Å; P169-S203 PolarHBondContact O-OG 3.18Å; V172-S203 PolarHBondContact O-N 3.12Å; S203-G205 VanDerWaalsContact C-N 3.32Å; S203-F357 WeakPolarHBondContact O-CA 3.45Å; S203-F357 WeakPolarHBondContact O-CD2 3.37Å; S203-F360 VanDerWaalsContact CB-CD1 3.48Å
204R92Very high93.3Very high108 Ų10828.9 Ų28.941%0.40813%0.131SC..THydrogen-bonded Turntrans-72.6-20.7172-170.559.7165.4104.70.2114P169 E170 N202 T206P169-R204 HydrophobicContact CB-CB 4.31Å; P169-R204 PolarHBondContact O-N 2.95Å; P169-R204 VanDerWaalsContact O-N 3.08Å; E170-R204 HydrophobicContact CG-CB 4.05Å; E170-R204 HydrophobicContact CG-CG 4.07Å; N202-R204 PolarHBondContact O-N 3.07Å; R204-T206 HydrophobicContact CG-CG2 3.73Å; R204-T206 PolarHBondContact O-N 2.96Å
205G91.6Very high93.3Very high2 Ų224.7 Ų24.72%0.02111%0.112CC..SBendtrans761.3-174.700000115.3N202 S203 P353N202-G205 PolarHBondContact O-N 3.1Å; N202-G205 WeakPolarHBondContact OD1-CA 3.44Å; N202-G205 PolarHBondContact OD1-N 3.23Å; S203-G205 VanDerWaalsContact C-N 3.32Å; G205-P353 VanDerWaalsContact O-CB 3.27Å; G205-P353 WeakPolarHBondContact O-CB 3.29Å
206T92.6Very high92.5Very high88 Ų8831 Ų3154%0.5415%0.145SC..SBendtrans-74.2-29.6179.546.80000112.6N202 R204N202-T206 PolarHBondContact ND2-OG1 3.22Å; N202-T206 PolarHBondContact OD1-N 3.41Å; R204-T206 HydrophobicContact CG-CG2 3.73Å; R204-T206 PolarHBondContact O-N 2.96Å
207E94.5Very high91.6Very high35 Ų3535.5 Ų35.516%0.16417%0.166CC..  trans-117.8123.1178.4-167.6177.9157.500110.1F173 A201 N202 R209 R259F173-E207 HydrophobicContact CE1-CB 4.27Å; F173-E207 HydrophobicContact CE1-CG 4.18Å; F173-E207 HydrophobicContact CZ-CB 4.33Å; F173-E207 HydrophobicContact CZ-CG 4.33Å; F173-E207 WeakPolarHBondContact CZ-OE2 3.39Å; A201-E207 VanDerWaalsContact CA-O 3.28Å; A201-E207 WeakPolarHBondContact CA-O 3.44Å; N202-E207 HydrophobicContact CB-CB 4.45Å; N202-E207 PolarHBondContact N-O 3.14Å; N202-E207 PolarHBondContact OD1-N 2.9Å; N202-E207 PolarHBondContact OD1-O 3.49Å; E207-R209 IonicContact OE1-NH1 3.92Å; E207-R209 PolarHBondContact OE1-NH1 3.22Å; E207-R259 IonicContact OE2-NH1 3.83Å; E207-R259 PolarHBondContact OE2-NH1 2.85Å; E207-R259 VanDerWaalsContact OE2-NH1 3.13Å
208K95.3Very high90.2Very high55 Ų5539.2 Ų39.224%0.23920%0.197CC..BIsolated β-bridgetrans-118.6128.5170.6-69.5-179.6-163.1161.90108.6A201 W348 A349 V351 I356A201-K208 HydrophobicContact CB-CG 4.2Å; K208-W348 HydrophobicContact CB-CZ2 4.28Å; K208-W348 HydrophobicContact CD-CD2 4.18Å; K208-W348 HydrophobicContact CD-CG 4.47Å; K208-W348 HydrophobicContact CD-CZ2 4.1Å; K208-W348 HydrophobicContact CG-CZ2 3.95Å; K208-W348 PolarHBondContact NZ-O 2.96Å; K208-A349 PolarHBondContact NZ-O 3.42Å; K208-V351 WeakPolarHBondContact CE-O 3.47Å; K208-V351 PolarHBondContact NZ-O 3.32Å; K208-I356 HydrophobicContact CD-CD1 4.43Å; K208-I356 HydrophobicContact CG-CD1 4.37Å
209R94.6Very high88.8Confident45 Ų4541.1 Ų41.117%0.1721%0.213CC..PPolyproline II helixtrans-73.4150.7174.3-55.1-57.6-63.8173.61.8109.7C200 E207 V211 W246 F250 D253 W348C200-R209 HydrophobicContact CB-CB 3.87Å; C200-R209 HydrophobicContact CB-CG 3.74Å; C200-R209 PolarHBondContact O-N 3Å; C200-R209 VanDerWaalsContact SG-CG 3.57Å; E207-R209 IonicContact OE1-NH1 3.92Å; E207-R209 PolarHBondContact OE1-NH1 3.22Å; R209-V211 PolarHBondContact O-N 3.35Å; R209-W246 HydrophobicContact CG-CZ2 4.45Å; R209-F250 HydrophobicContact CG-CE2 4.42Å; R209-D253 IonicContact CZ-OD2 2.69Å; R209-D253 IonicContact NH1-OD2 3.1Å; R209-D253 IonicContact NH2-OD2 3.92Å; R209-D253 PolarHBondContact NH2-OD2 3.04Å; R209-W348 PolarHBondContact O-NE1 2.96Å
210R93Very high87.9Confident127 Ų12741.4 Ų41.448%0.47922%0.215SC..PPolyproline II helixtrans-54.3127.9171.5-179.2-178.1-74.8-132.6-3108.7L212 L231 S234R210-L212 PolarHBondContact O-N 3.21Å; R210-L231 PolarHBondContact NH1-O 3.45Å; R210-S234 VanDerWaalsContact CD-OG 3.31Å; R210-S234 WeakPolarHBondContact CD-OG 3.5Å
211V94.9Very high86.9Confident2 Ų248.1 Ų48.11%0.01224%0.24CC..PPolyproline II helixtrans-58.7137.8177.9-178.70000109V197 L199 R209 L213 A233 S234 A344 W348V197-V211 HydrophobicContact CG1-CG1 3.52Å; L199-V211 HydrophobicContact CD2-CG1 4.11Å; L199-V211 HydrophobicContact CD2-CG2 3.96Å; R209-V211 PolarHBondContact O-N 3.35Å; V211-L213 HydrophobicContact CG1-CG 4.43Å; V211-A233 HydrophobicContact CB-CB 3.92Å; V211-A233 CarbonylContact O-C 3.57Å; V211-A233 WeakPolarHBondContact O-CA 3.16Å; V211-A233 VanDerWaalsContact O-CB 3.24Å; V211-A233 WeakPolarHBondContact O-CB 3.25Å; V211-S234 PolarHBondContact O-N 3.23Å; V211-A344 HydrophobicContact CG1-CB 4.49Å; V211-W348 HydrophobicContact CG2-CB 3.6Å; V211-W348 HydrophobicContact CG2-CG 3.64Å
212L94.1Very high86.1Confident15 Ų1549.8 Ų49.88%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-111.5127.2171.4172.573.4000108.9V197 L198 R210 S234 H236 V241 P242V197-L212 WeakPolarHBondContact CA-O 3.35Å; L198-L212 HydrophobicContact CB-CB 4.15Å; L198-L212 HydrophobicContact CB-CD2 4.38Å; L198-L212 HydrophobicContact CD2-CD2 4.03Å; L198-L212 PolarHBondContact N-O 3.03Å; L198-L212 PolarHBondContact O-N 3.1Å; R210-L212 PolarHBondContact O-N 3.21Å; L212-S234 WeakPolarHBondContact CA-O 3.19Å; L212-H236 HydrophobicContact CD1-CB 4.2Å; L212-V241 HydrophobicContact CD2-CG1 4.19Å; L212-P242 HydrophobicContact CD2-CG 4.18Å
213L91.9Very high85.5Confident0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-109.7121.2175.5-71.9178.1000110.4V195 Q196 V197 V211 S234 Y235 H236 L341 A344V195-L213 HydrophobicContact CG2-CD2 4.09Å; Q196-L213 CarbonylContact O-C 3.51Å; Q196-L213 VanDerWaalsContact O-CA 3.31Å; Q196-L213 WeakPolarHBondContact O-CA 3.45Å; V197-L213 HydrophobicContact CB-CD2 4.06Å; V197-L213 HydrophobicContact CG1-CD2 3.91Å; V197-L213 HydrophobicContact CG2-CD2 3.5Å; V211-L213 HydrophobicContact CG1-CG 4.43Å; L213-S234 PolarHBondContact N-O 3.29Å; L213-Y235 HydrophobicContact CB-CD2 4.38Å; L213-Y235 CarbonylContact O-C 3.25Å; L213-Y235 WeakPolarHBondContact O-CA 3.45Å; L213-Y235 WeakPolarHBondContact O-CD2 3.46Å; L213-H236 PolarHBondContact O-N 3.17Å; L213-L341 HydrophobicContact CD1-CB 3.72Å; L213-L341 HydrophobicContact CD1-CG 3.99Å; L213-A344 HydrophobicContact CD1-CB 4.34Å
214G87.9Confident84.7Confident5 Ų553 Ų535%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-92.6132.616800000110.9V195 Q196 H236 D238V195-G214 CarbonylContact C-O 3.59Å; V195-G214 WeakPolarHBondContact CA-O 3.38Å; V195-G214 WeakPolarHBondContact CB-O 3.41Å; Q196-G214 PolarHBondContact N-O 3.09Å; Q196-G214 PolarHBondContact O-N 3.33Å; G214-H236 WeakPolarHBondContact CA-O 3.42Å; G214-D238 CarbonylContact C-O 3.2Å; G214-D238 VanDerWaalsContact C-O 3.25Å; G214-D238 WeakPolarHBondContact CA-O 3.49Å
215G85Confident83.8Confident2 Ų248.9 Ų48.92%0.02126%0.256CS..  trans-142.2155.5176.300000112.6Q217 Y235 H236 P237 D238G215-Q217 VanDerWaalsContact C-N 3.25Å; G215-Q217 PolarHBondContact O-N 3.41Å; G215-Y235 PolarHBondContact O-OH 3.18Å; G215-H236 PolarHBondContact N-O 3.22Å; G215-P237 CarbonylContact O-C 3.59Å; G215-D238 PolarHBondContact N-O 3.35Å; G215-D238 VanDerWaalsContact N-O 3.15Å; G215-D238 PolarHBondContact O-N 2.8Å; G215-D238 VanDerWaalsContact O-N 3.09Å
216L75Confident83.2Confident136 Ų13650.7 Ų50.771%0.71227%0.267SS*.SBendtrans-63.5-25.3-174.3-69.9169.4000114.7L239L216-L239 HydrophobicContact CD2-CD1 3.56Å; L216-L239 HydrophobicContact CD2-CG 3.74Å; L216-L239 HydrophobicContact CG-CD1 4.06Å; L216-L239 HydrophobicContact CG-CD2 4.3Å; L216-L239 HydrophobicContact CG-CG 4.05Å
217Q73.7Confident82.5Confident120 Ų12052.8 Ų52.856%0.56127%0.265SS*.  trans-95.1121.6-173.5-69.1-173.515.300111.3G215 A219 P220 Y235G215-Q217 VanDerWaalsContact C-N 3.25Å; G215-Q217 PolarHBondContact O-N 3.41Å; Q217-A219 PolarHBondContact O-N 3.11Å; Q217-A219 VanDerWaalsContact O-N 3.07Å; Q217-P220 HydrophobicContact CB-CG 4.11Å; Q217-Y235 PolarHBondContact O-OH 2.62Å
218A65.3Low81.5Confident79 Ų7953.1 Ų53.165%0.65327%0.271SS*.SBendtrans-61.8-26.3-179.100000114.5P237A218-P237 HydrophobicContact CB-CB 3.85Å
219A66.9Low80.6Confident43 Ų4355.5 Ų55.536%0.35528%0.283SS..SBendtrans-152.394.5171.700000111T98 Q217 R221T98-A219 HydrophobicContact CG2-CB 3.08Å; Q217-A219 PolarHBondContact O-N 3.11Å; Q217-A219 VanDerWaalsContact O-N 3.07Å; A219-R221 PolarHBondContact O-N 3.33Å
220P77.4Confident79.8Confident6 Ų656.8 Ų56.84%0.03930%0.303CS..  trans-63.6137.8177.4-16.128.6000110.2Q217 C222 F223 Y235Q217-P220 HydrophobicContact CB-CG 4.11Å; P220-C222 PolarHBondContact O-N 2.72Å; P220-C222 VanDerWaalsContact O-N 3.07Å; P220-F223 HydrophobicContact CB-CD2 3.78Å; P220-F223 HydrophobicContact CB-CE2 4.06Å; P220-F223 HydrophobicContact CG-CD2 3.84Å; P220-F223 HydrophobicContact CG-CE2 3.79Å; P220-F223 WeakPolarHBondContact O-CB 3.32Å; P220-F223 PolarHBondContact O-N 3.21Å; P220-Y235 HydrophobicContact CG-CE1 3.96Å; P220-Y235 WeakPolarHBondContact CG-OH 3.29Å
221R74.5Confident79.4Confident142 Ų14251.1 Ų51.154%0.53628%0.283SS..G310 helixtrans-54.8-31.5-179.4-65.8-175.8-175.7-179.33.9112.8A219 F223 F224 F425A219-R221 PolarHBondContact O-N 3.33Å; R221-F223 PolarHBondContact O-N 2.87Å; R221-F223 VanDerWaalsContact O-N 3.12Å; R221-F224 WeakPolarHBondContact O-CB 3.5Å; R221-F224 PolarHBondContact O-N 3.22Å; R221-F224 VanDerWaalsContact O-N 3.09Å; R221-F425 HydrophobicContact CB-CD2 4.49Å; R221-F425 HydrophobicContact CB-CE2 4.01Å; R221-F425 HydrophobicContact CG-CE2 4.17Å
222C80.5Confident79Confident35 Ų3553.2 Ų53.224%0.23630%0.296CS..G310 helixtrans-63.8-11.9177.656.50000114.6P220 F224 T336 L338P220-C222 PolarHBondContact O-N 2.72Å; P220-C222 VanDerWaalsContact O-N 3.07Å; C222-F224 VanDerWaalsContact C-N 3.28Å; C222-T336 HydrophobicContact CB-CG2 4.08Å; C222-L338 HydrophobicContact CB-CB 4.01Å; C222-L338 VanDerWaalsContact O-CD2 3.32Å; C222-L338 WeakPolarHBondContact O-CD2 3.28Å
223F81.1Confident78.7Confident34 Ų3452.5 Ų52.515%0.14929%0.292CS..G310 helixtrans-86.60.6175.4-75.1-117.7000112.4P220 R221 G225 V226 L231 Y235 V337 L338 L341P220-F223 HydrophobicContact CB-CD2 3.78Å; P220-F223 HydrophobicContact CB-CE2 4.06Å; P220-F223 HydrophobicContact CG-CD2 3.84Å; P220-F223 HydrophobicContact CG-CE2 3.79Å; P220-F223 WeakPolarHBondContact O-CB 3.32Å; P220-F223 PolarHBondContact O-N 3.21Å; R221-F223 PolarHBondContact O-N 2.87Å; R221-F223 VanDerWaalsContact O-N 3.12Å; F223-G225 PolarHBondContact O-N 2.87Å; F223-V226 PolarHBondContact O-N 3.19Å; F223-V226 VanDerWaalsContact O-N 3.11Å; F223-L231 HydrophobicContact CD1-CD1 4Å; F223-L231 HydrophobicContact CE1-CD1 3.6Å; F223-L231 HydrophobicContact CE1-CD2 4.3Å; F223-Y235 HydrophobicContact CE1-CD1 4.16Å; F223-Y235 HydrophobicContact CE1-CG 4.01Å; F223-Y235 HydrophobicContact CZ-CD1 4.14Å; F223-Y235 HydrophobicContact CZ-CD2 4.11Å; F223-Y235 AromaticContact CZ-CG 3.82Å; F223-Y235 HydrophobicContact CZ-CG 3.82Å; F223-V337 HydrophobicContact CE2-CB 4.46Å; F223-V337 HydrophobicContact CE2-CG1 4.21Å; F223-L338 HydrophobicContact CE2-CB 4.33Å; F223-L341 HydrophobicContact CE1-CD1 4.18Å; F223-L341 HydrophobicContact CZ-CD1 3.91Å
224F77.8Confident78.6Confident34 Ų3454.8 Ų54.815%0.14931%0.309CS..THydrogen-bonded Turntrans-58.3127.1179-173.6-109.2000112.3W86 M101 R221 C222 V226 F425 P428W86-F224 HydrophobicContact CH2-CE2 4.15Å; W86-F224 AromaticContact CZ2-CE2 3.94Å; W86-F224 HydrophobicContact CZ2-CE2 3.94Å; W86-F224 AromaticContact CZ2-CZ 3.94Å; W86-F224 HydrophobicContact CZ2-CZ 3.94Å; M101-F224 HydrophobicContact CB-CD2 4.47Å; M101-F224 HydrophobicContact CB-CE2 4.3Å; M101-F224 HydrophobicContact CE-CD2 3.21Å; M101-F224 HydrophobicContact CE-CE2 3.41Å; M101-F224 VanDerWaalsContact CE-CE2 3.41Å; M101-F224 HydrophobicContact CE-CG 4.42Å; M101-F224 HydrophobicContact CG-CD2 3.66Å; M101-F224 HydrophobicContact CG-CE2 3.97Å; M101-F224 HydrophobicContact SD-CD2 3.85Å; M101-F224 HydrophobicContact SD-CE2 4.37Å; R221-F224 WeakPolarHBondContact O-CB 3.5Å; R221-F224 PolarHBondContact O-N 3.22Å; R221-F224 VanDerWaalsContact O-N 3.09Å; C222-F224 VanDerWaalsContact C-N 3.28Å; F224-V226 PolarHBondContact O-N 3Å; F224-F425 HydrophobicContact CB-CE1 3.75Å; F224-F425 HydrophobicContact CB-CE2 4.41Å; F224-F425 HydrophobicContact CB-CZ 3.48Å; F224-F425 VanDerWaalsContact CB-CZ 3.48Å; F224-F425 HydrophobicContact CD1-CD1 4.09Å; F224-F425 AromaticContact CD1-CE1 3.29Å; F224-F425 HydrophobicContact CD1-CE1 3.29Å; F224-F425 AromaticContact CD1-CZ 3.97Å; F224-F425 HydrophobicContact CD1-CZ 3.97Å; F224-F425 AromaticContact CD2-CE1 3.27Å; F224-F425 HydrophobicContact CD2-CE1 3.27Å; F224-F425 AromaticContact CD2-CZ 3.3Å; F224-F425 HydrophobicContact CD2-CZ 3.3Å; F224-F425 HydrophobicContact CE1-CD1 4.24Å; F224-F425 AromaticContact CE1-CE1 3.55Å; F224-F425 HydrophobicContact CE1-CE1 3.55Å; F224-F425 AromaticContact CE2-CE1 3.58Å; F224-F425 HydrophobicContact CE2-CE1 3.58Å; F224-F425 AromaticContact CE2-CZ 3.97Å; F224-F425 HydrophobicContact CE2-CZ 3.97Å; F224-F425 HydrophobicContact CG-CD1 4.27Å; F224-F425 AromaticContact CG-CE1 3.13Å; F224-F425 HydrophobicContact CG-CE1 3.13Å; F224-F425 AromaticContact CG-CZ 3.31Å; F224-F425 HydrophobicContact CG-CZ 3.31Å; F224-F425 AromaticContact CZ-CE1 3.71Å; F224-F425 HydrophobicContact CZ-CE1 3.71Å; F224-P428 HydrophobicContact CE1-CG 4.26Å
225G72.3Confident78.7Confident21 Ų2156.6 Ų56.622%0.21631%0.314CS..THydrogen-bonded Turntrans74.2-1.417900000114.7W95 F223W95-G225 PolarHBondContact NE1-O 2.62Å; F223-G225 PolarHBondContact O-N 2.87Å
226V79.6Confident78.8Confident40 Ų4058.1 Ų58.124%0.24232%0.32CS..  trans-87.5133.3176.6-172.90000109.5F223 F224 L231 L338F223-V226 PolarHBondContact O-N 3.19Å; F223-V226 VanDerWaalsContact O-N 3.11Å; F224-V226 PolarHBondContact O-N 3Å; V226-L231 HydrophobicContact CG1-CD2 3.57Å; V226-L231 HydrophobicContact CG1-CG 4.09Å; V226-L338 HydrophobicContact CG2-CD2 4.07Å
227R76.3Confident79.2Confident132 Ų13254.5 Ų54.550%0.49831%0.305SS..BIsolated β-bridgetrans-81.8132174.1-66177.657.9-171.1-3.9109.7E229 A230R227-E229 IonicContact CZ-OE2 2.78Å; R227-E229 IonicContact NE-OE2 2.59Å; R227-E229 PolarHBondContact NE-OE2 3.37Å; R227-E229 IonicContact NH2-OE2 3.13Å; R227-E229 PolarHBondContact NH2-OE2 3.44Å; R227-E229 PolarHBondContact O-N 2.88Å; R227-A230 HydrophobicContact CB-CB 4.05Å; R227-A230 WeakPolarHBondContact O-CB 3.34Å; R227-A230 PolarHBondContact O-N 3.22Å
228S74Confident79.6Confident43 Ų4353 Ų5330%0.30130%0.301SS..G310 helixtrans-62.5-31.3-177-56.50000112.5D96 A230D96-S228 PolarHBondContact OD2-OG 3.39Å; S228-A230 VanDerWaalsContact C-N 3.33Å; S228-A230 PolarHBondContact O-N 3.46Å
229E76.3Confident80.3Confident105 Ų10551.9 Ų51.949%0.49128%0.284SS..G310 helixtrans-70.2-28.7175.3-5078.7-132.200113.3R227 L231R227-E229 IonicContact CZ-OE2 2.78Å; R227-E229 IonicContact NE-OE2 2.59Å; R227-E229 PolarHBondContact NE-OE2 3.37Å; R227-E229 IonicContact NH2-OE2 3.13Å; R227-E229 PolarHBondContact NH2-OE2 3.44Å; R227-E229 PolarHBondContact O-N 2.88Å; E229-L231 VanDerWaalsContact C-N 3.3Å
230A77.4Confident81Confident71 Ų7151.4 Ų51.459%0.58728%0.283SS*.G310 helixtrans-80.6-12.4-177.400000112.8R227 S228R227-A230 HydrophobicContact CB-CB 4.05Å; R227-A230 WeakPolarHBondContact O-CB 3.34Å; R227-A230 PolarHBondContact O-N 3.22Å; S228-A230 VanDerWaalsContact C-N 3.33Å; S228-A230 PolarHBondContact O-N 3.46Å
231L85.5Confident81.3Confident9 Ų952.1 Ų52.15%0.04729%0.287CS..  trans-65.8134.4178.2-69.1172.1000110.5R210 F223 V226 E229 A233 L338 L341R210-L231 PolarHBondContact NH1-O 3.45Å; F223-L231 HydrophobicContact CD1-CD1 4Å; F223-L231 HydrophobicContact CE1-CD1 3.6Å; F223-L231 HydrophobicContact CE1-CD2 4.3Å; V226-L231 HydrophobicContact CG1-CD2 3.57Å; V226-L231 HydrophobicContact CG1-CG 4.09Å; E229-L231 VanDerWaalsContact C-N 3.3Å; L231-A233 WeakPolarHBondContact CB-O 3.49Å; L231-A233 PolarHBondContact O-N 2.99Å; L231-L338 HydrophobicContact CD2-CD1 3.51Å; L231-L341 HydrophobicContact CB-CD2 4.25Å; L231-L341 HydrophobicContact CD1-CD1 4.29Å; L231-L341 HydrophobicContact CD2-CD1 4.21Å; L231-L341 HydrophobicContact CD2-CD2 4.28Å
232P86.6Confident81.9Confident45 Ų4546.4 Ų46.429%0.29227%0.269SS..SBendtrans-76.3-4.5-179.530.9-36.5000113.7L341 S345P232-L341 VanDerWaalsContact CD-CD2 3.49Å; P232-L341 HydrophobicContact CG-CD2 3.66Å; P232-S345 WeakPolarHBondContact O-CB 3.41Å; P232-S345 PolarHBondContact O-OG 3.37Å
233A88.6Confident82.2Confident0 Ų046.1 Ų46.10%026%0.263CS..SBendtrans-147.3157.1173.800000109.6V211 L231 L341V211-A233 HydrophobicContact CB-CB 3.92Å; V211-A233 CarbonylContact O-C 3.57Å; V211-A233 WeakPolarHBondContact O-CA 3.16Å; V211-A233 VanDerWaalsContact O-CB 3.24Å; V211-A233 WeakPolarHBondContact O-CB 3.25Å; L231-A233 WeakPolarHBondContact CB-O 3.49Å; L231-A233 PolarHBondContact O-N 2.99Å; A233-L341 HydrophobicContact CB-CD2 3.65Å; A233-L341 HydrophobicContact CB-CG 3.8Å
234S89.6Confident82.5Confident49 Ų4949.4 Ų49.434%0.34328%0.281SS..EExtended strand (participates in β ladder)trans-81.9145.3179.4-61.10000110.3R210 V211 L212 L213R210-S234 VanDerWaalsContact CD-OG 3.31Å; R210-S234 WeakPolarHBondContact CD-OG 3.5Å; V211-S234 PolarHBondContact O-N 3.23Å; L212-S234 WeakPolarHBondContact CA-O 3.19Å; L213-S234 PolarHBondContact N-O 3.29Å
235Y89.1Confident83Confident43 Ų4352.9 Ų52.917%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-116.7136175.5-177-108.7000111L213 G215 Q217 P220 F223 V337L213-Y235 HydrophobicContact CB-CD2 4.38Å; L213-Y235 CarbonylContact O-C 3.25Å; L213-Y235 WeakPolarHBondContact O-CA 3.45Å; L213-Y235 WeakPolarHBondContact O-CD2 3.46Å; G215-Y235 PolarHBondContact O-OH 3.18Å; Q217-Y235 PolarHBondContact O-OH 2.62Å; P220-Y235 HydrophobicContact CG-CE1 3.96Å; P220-Y235 WeakPolarHBondContact CG-OH 3.29Å; F223-Y235 HydrophobicContact CE1-CD1 4.16Å; F223-Y235 HydrophobicContact CE1-CG 4.01Å; F223-Y235 HydrophobicContact CZ-CD1 4.14Å; F223-Y235 HydrophobicContact CZ-CD2 4.11Å; F223-Y235 AromaticContact CZ-CG 3.82Å; F223-Y235 HydrophobicContact CZ-CG 3.82Å; Y235-V337 HydrophobicContact CD2-CG1 4.28Å; Y235-V337 HydrophobicContact CE2-CG1 3.78Å
236H86.9Confident83.9Confident33 Ų3353.6 Ų53.615%0.15329%0.294CS..EExtended strand (participates in β ladder)trans-121.4132.4173.6-170.572.7000110.7L212 L213 G214 G215 D238 G240 P242L212-H236 HydrophobicContact CD1-CB 4.2Å; L213-H236 PolarHBondContact O-N 3.17Å; G214-H236 WeakPolarHBondContact CA-O 3.42Å; G215-H236 PolarHBondContact N-O 3.22Å; H236-D238 PolarHBondContact O-N 3.48Å; H236-G240 PolarHBondContact CD2-O 2.92Å; H236-G240 VanDerWaalsContact CD2-O 3.3Å; H236-P242 HydrophobicContact CB-CG 4.36Å
237P84.4Confident84.4Confident61 Ų6151.7 Ų51.740%0.39628%0.283SS..SBendtrans-76.535.3-177.234.1-40.4000114.5G215 A218G215-P237 CarbonylContact O-C 3.59Å; A218-P237 HydrophobicContact CB-CB 3.85Å
238D81.5Confident85Confident89 Ų8947.1 Ų47.148%0.47627%0.273SS..SBendtrans-153154.3175.5-165.5-14000108.3G214 G215 H236 G240G214-D238 CarbonylContact C-O 3.2Å; G214-D238 VanDerWaalsContact C-O 3.25Å; G214-D238 WeakPolarHBondContact CA-O 3.49Å; G215-D238 PolarHBondContact N-O 3.35Å; G215-D238 VanDerWaalsContact N-O 3.15Å; G215-D238 PolarHBondContact O-N 2.8Å; G215-D238 VanDerWaalsContact O-N 3.09Å; H236-D238 PolarHBondContact O-N 3.48Å; D238-G240 PolarHBondContact OD1-N 3.31Å
239L80.3Confident85.8Confident54 Ų5449 Ų4928%0.28328%0.277SS..SBendtrans-69.5-26.4168.4-68.9178.6000111.5Q196 L216Q196-L239 WeakPolarHBondContact CB-O 3.25Å; Q196-L239 VanDerWaalsContact CG-O 3.28Å; Q196-L239 WeakPolarHBondContact CG-O 3.27Å; L216-L239 HydrophobicContact CD2-CD1 3.56Å; L216-L239 HydrophobicContact CD2-CG 3.74Å; L216-L239 HydrophobicContact CG-CD1 4.06Å; L216-L239 HydrophobicContact CG-CD2 4.3Å; L216-L239 HydrophobicContact CG-CG 4.05Å
240G81.2Confident86.6Confident33 Ų3344 Ų4434%0.3425%0.254SS..SBendtrans-68.5135.5174.500000112.7H236 D238 P242H236-G240 PolarHBondContact CD2-O 2.92Å; H236-G240 VanDerWaalsContact CD2-O 3.3Å; D238-G240 PolarHBondContact OD1-N 3.31Å; G240-P242 WeakPolarHBondContact O-CD 3.45Å
241V83.7Confident87.3Confident22 Ų2241.2 Ų41.213%0.13323%0.229CC..  trans-70.7127.4170.5172.70000109.6E177 L198 L212 W243E177-V241 HydrophobicContact CG-CG2 3.66Å; L198-V241 HydrophobicContact CB-CG2 4.1Å; L198-V241 HydrophobicContact CD2-CG1 3.82Å; L212-V241 HydrophobicContact CD2-CG1 4.19Å; V241-W243 HydrophobicContact CB-CD2 4.49Å; V241-W243 HydrophobicContact CB-CG 4.39Å; V241-W243 HydrophobicContact CG1-CD2 3.8Å; V241-W243 HydrophobicContact CG1-CE3 4.4Å; V241-W243 HydrophobicContact CG1-CG 3.92Å; V241-W243 HydrophobicContact CG1-CZ2 4.24Å; V241-W243 PolarHBondContact O-N 3.17Å
242P87.6Confident87.7Confident22 Ų2246.6 Ų46.614%0.14325%0.249CC..  trans-74.767.2174.534.1-38.9000110.9L212 H236 G240 L244 E245 W246L212-P242 HydrophobicContact CD2-CG 4.18Å; H236-P242 HydrophobicContact CB-CG 4.36Å; G240-P242 WeakPolarHBondContact O-CD 3.45Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.47Å; P242-L244 VanDerWaalsContact O-N 3.16Å; P242-E245 HydrophobicContact CB-CB 4.3Å; P242-E245 HydrophobicContact CB-CG 4.42Å; P242-E245 WeakPolarHBondContact CB-OE2 3.32Å; P242-E245 PolarHBondContact O-N 2.82Å; P242-E245 VanDerWaalsContact O-N 3.13Å; P242-W246 WeakPolarHBondContact O-CB 3.41Å; P242-W246 PolarHBondContact O-N 3.44Å
243W87.3Confident87.9Confident28 Ų2845.8 Ų45.811%0.10624%0.242CC..Hα-helixtrans-54.4-38.1-172.6-79.5106.9000113.3C175 L198 V241 W246 L247 L265 V269 L273C175-W243 HydrophobicContact CB-CH2 4.05Å; L198-W243 HydrophobicContact CD1-CH2 3.58Å; L198-W243 HydrophobicContact CD1-CZ2 3.88Å; L198-W243 HydrophobicContact CD1-CZ3 4.37Å; V241-W243 HydrophobicContact CB-CD2 4.49Å; V241-W243 HydrophobicContact CB-CG 4.39Å; V241-W243 HydrophobicContact CG1-CD2 3.8Å; V241-W243 HydrophobicContact CG1-CE3 4.4Å; V241-W243 HydrophobicContact CG1-CG 3.92Å; V241-W243 HydrophobicContact CG1-CZ2 4.24Å; V241-W243 PolarHBondContact O-N 3.17Å; W243-W246 HydrophobicContact CE3-CE3 4.34Å; W243-W246 HydrophobicContact CZ3-CE3 4.23Å; W243-W246 HydrophobicContact CZ3-CZ3 4.32Å; W243-L247 HydrophobicContact CE3-CD1 4.44Å; W243-L247 HydrophobicContact CE3-CG 4.36Å; W243-L247 WeakPolarHBondContact O-CB 3.24Å; W243-L247 WeakPolarHBondContact O-CD1 3.41Å; W243-L247 WeakPolarHBondContact O-CG 3.47Å; W243-L247 PolarHBondContact O-N 3.22Å; W243-L265 HydrophobicContact CH2-CD2 3.42Å; W243-L265 VanDerWaalsContact CH2-CD2 3.42Å; W243-L265 HydrophobicContact CZ2-CD2 4.35Å; W243-L265 HydrophobicContact CZ3-CD1 4.27Å; W243-L265 HydrophobicContact CZ3-CD2 3.54Å; W243-V269 HydrophobicContact CD2-CG1 3.86Å; W243-V269 HydrophobicContact CE3-CG1 4.45Å; W243-V269 HydrophobicContact CG-CG1 4.19Å; W243-V269 HydrophobicContact CZ2-CG1 3.92Å; W243-L273 HydrophobicContact CB-CD1 4.36Å; W243-L273 HydrophobicContact CB-CD2 3.62Å; W243-L273 HydrophobicContact CB-CG 4.48Å
244L86.9Confident88.2Confident104 Ų10445.8 Ų45.855%0.54524%0.242SC..Hα-helixtrans-63.1-49.5178.5-7183.9000111.9P242 A248 L273 L276P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.47Å; P242-L244 VanDerWaalsContact O-N 3.16Å; L244-A248 VanDerWaalsContact O-CB 3.26Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.38Å; L244-L273 HydrophobicContact CD1-CD2 4.13Å; L244-L276 HydrophobicContact CB-CD2 4.07Å; L244-L276 HydrophobicContact CD2-CD2 4.06Å; L244-L276 HydrophobicContact CG-CD2 3.58Å
245E87.1Confident88.3Confident107 Ų10744.7 Ų44.750%0.524%0.238SC..Hα-helixtrans-67.7-41.9-178.8-58.2176.7158.600110.6P242 Q249P242-E245 HydrophobicContact CB-CB 4.3Å; P242-E245 HydrophobicContact CB-CG 4.42Å; P242-E245 WeakPolarHBondContact CB-OE2 3.32Å; P242-E245 PolarHBondContact O-N 2.82Å; P242-E245 VanDerWaalsContact O-N 3.13Å; E245-Q249 PolarHBondContact O-N 3.11Å
246W91.1Very high88.4Confident35 Ų3550.2 Ų50.213%0.13327%0.266CS..Hα-helixtrans-65.2-47.1179-171.493000111.8L198 C200 R209 P242 W243 Q249 F250 L263L198-W246 HydrophobicContact CD2-CD2 3.96Å; L198-W246 HydrophobicContact CD2-CG 4.08Å; L198-W246 HydrophobicContact CD2-CZ2 4.21Å; C200-W246 HydrophobicContact CB-CH2 4.14Å; C200-W246 HydrophobicContact CB-CZ2 3.9Å; R209-W246 HydrophobicContact CG-CZ2 4.45Å; P242-W246 WeakPolarHBondContact O-CB 3.41Å; P242-W246 PolarHBondContact O-N 3.44Å; W243-W246 HydrophobicContact CE3-CE3 4.34Å; W243-W246 HydrophobicContact CZ3-CE3 4.23Å; W243-W246 HydrophobicContact CZ3-CZ3 4.32Å; W246-Q249 PolarHBondContact O-N 3.03Å; W246-F250 HydrophobicContact CE3-CB 4.3Å; W246-F250 HydrophobicContact CH2-CB 4.41Å; W246-F250 HydrophobicContact CH2-CD1 4.43Å; W246-F250 HydrophobicContact CH2-CD2 4.23Å; W246-F250 HydrophobicContact CH2-CG 4.11Å; W246-F250 HydrophobicContact CZ3-CB 4.1Å; W246-F250 HydrophobicContact CZ3-CD1 4.21Å; W246-F250 HydrophobicContact CZ3-CG 4.08Å; W246-F250 WeakPolarHBondContact O-CB 3.4Å; W246-F250 PolarHBondContact O-N 3.49Å; W246-L263 HydrophobicContact CZ3-CD2 3.97Å
247L91.1Very high88.6Confident0 Ų052.9 Ų52.90%028%0.278CS..Hα-helixtrans-66.2-40177.7-74.2169.9000112W243 Q249 F250 D251 L263 L273 L276 L279 L284W243-L247 HydrophobicContact CE3-CD1 4.44Å; W243-L247 HydrophobicContact CE3-CG 4.36Å; W243-L247 WeakPolarHBondContact O-CB 3.24Å; W243-L247 WeakPolarHBondContact O-CD1 3.41Å; W243-L247 WeakPolarHBondContact O-CG 3.47Å; W243-L247 PolarHBondContact O-N 3.22Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.25Å; L247-F250 PolarHBondContact O-N 3.26Å; L247-D251 WeakPolarHBondContact O-CB 3.37Å; L247-D251 PolarHBondContact O-N 2.89Å; L247-L263 HydrophobicContact CD2-CD2 3.41Å; L247-L263 VanDerWaalsContact CD2-CD2 3.41Å; L247-L273 HydrophobicContact CD1-CD1 3.64Å; L247-L273 HydrophobicContact CD1-CD2 4.29Å; L247-L276 HydrophobicContact CD1-CD1 3.73Å; L247-L279 HydrophobicContact CB-CD2 4.32Å; L247-L284 HydrophobicContact CD2-CD2 4.11Å
248A89.7Confident88.9Confident37 Ų3753.2 Ų53.231%0.30629%0.293SS..Hα-helixtrans-62.8-38.3175.900000111.8L244 R252L244-A248 VanDerWaalsContact O-CB 3.26Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.38Å; A248-R252 WeakPolarHBondContact O-CG 3.31Å; A248-R252 PolarHBondContact O-N 2.83Å; A248-R252 PolarHBondContact O-NH1 3.39Å; A248-R252 VanDerWaalsContact O-NH1 3.11Å
249Q90.8Very high89.4Confident81 Ų8151.3 Ų51.338%0.37928%0.279SS..Hα-helixtrans-68-44.4172.7-175.263.351.600111.5E245 W246 L247 D251 R252 D253E245-Q249 PolarHBondContact O-N 3.11Å; W246-Q249 PolarHBondContact O-N 3.03Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-Q249 PolarHBondContact O-N 3.25Å; Q249-D251 VanDerWaalsContact C-N 3.35Å; Q249-D251 PolarHBondContact O-N 2.83Å; Q249-R252 PolarHBondContact O-N 3.45Å; Q249-D253 PolarHBondContact NE2-OD1 3.04Å; Q249-D253 PolarHBondContact O-N 2.8Å
250F92.8Very high89.9Confident1 Ų152.9 Ų52.90%0.00429%0.285CS..Hα-helixtrans-60.3-43.4179-174.9-117.1000111.8F173 R209 W246 L247 D253 M254 V261 L263 V282F173-F250 HydrophobicContact CB-CZ 4.33Å; F173-F250 HydrophobicContact CD1-CE2 4.26Å; F173-F250 HydrophobicContact CD1-CZ 4.05Å; F173-F250 HydrophobicContact CD2-CZ 4.03Å; F173-F250 HydrophobicContact CE1-CE2 4.27Å; F173-F250 HydrophobicContact CE1-CZ 4.34Å; F173-F250 HydrophobicContact CE2-CZ 4.33Å; F173-F250 AromaticContact CG-CZ 3.88Å; F173-F250 HydrophobicContact CG-CZ 3.88Å; F173-F250 HydrophobicContact CZ-CZ 4.47Å; R209-F250 HydrophobicContact CG-CE2 4.42Å; W246-F250 HydrophobicContact CE3-CB 4.3Å; W246-F250 HydrophobicContact CH2-CB 4.41Å; W246-F250 HydrophobicContact CH2-CD1 4.43Å; W246-F250 HydrophobicContact CH2-CD2 4.23Å; W246-F250 HydrophobicContact CH2-CG 4.11Å; W246-F250 HydrophobicContact CZ3-CB 4.1Å; W246-F250 HydrophobicContact CZ3-CD1 4.21Å; W246-F250 HydrophobicContact CZ3-CG 4.08Å; W246-F250 WeakPolarHBondContact O-CB 3.4Å; W246-F250 PolarHBondContact O-N 3.49Å; L247-F250 PolarHBondContact O-N 3.26Å; F250-D253 PolarHBondContact O-N 3.49Å; F250-M254 HydrophobicContact CD2-CE 4.15Å; F250-M254 HydrophobicContact CE1-CG 4.41Å; F250-M254 HydrophobicContact CE2-CE 3.62Å; F250-M254 HydrophobicContact CE2-CG 4.37Å; F250-M254 HydrophobicContact CE2-SD 4.41Å; F250-M254 HydrophobicContact CZ-CE 4.15Å; F250-M254 HydrophobicContact CZ-CG 4.24Å; F250-M254 HydrophobicContact CZ-SD 4.38Å; F250-M254 VanDerWaalsContact O-CG 3.3Å; F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.21Å; F250-V261 HydrophobicContact CE1-CG2 3.87Å; F250-V261 HydrophobicContact CZ-CG2 4.02Å; F250-L263 HydrophobicContact CD1-CD2 4.41Å; F250-L263 HydrophobicContact CE1-CB 4.49Å; F250-L263 HydrophobicContact CE1-CD1 4.19Å; F250-L263 HydrophobicContact CE1-CD2 4.35Å; F250-V282 HydrophobicContact CD1-CB 4.35Å; F250-V282 HydrophobicContact CD1-CG1 3.98Å; F250-V282 HydrophobicContact CD1-CG2 3.44Å; F250-V282 VanDerWaalsContact CD1-CG2 3.44Å; F250-V282 HydrophobicContact CE1-CB 4.44Å; F250-V282 HydrophobicContact CE1-CG1 3.89Å; F250-V282 HydrophobicContact CE1-CG2 3.63Å; F250-V282 HydrophobicContact CG-CG2 4.41Å
251D92.3Very high90.5Very high13 Ų1351.3 Ų51.37%0.0727%0.268CS..Hα-helixtrans-63.1-42.4176.4-168.686.7000112.7L247 Q249 D253 M254 G255 L279 Y280 H281 V282L247-D251 WeakPolarHBondContact O-CB 3.37Å; L247-D251 PolarHBondContact O-N 2.89Å; Q249-D251 VanDerWaalsContact C-N 3.35Å; Q249-D251 PolarHBondContact O-N 2.83Å; D251-D253 VanDerWaalsContact C-N 3.33Å; D251-D253 PolarHBondContact O-N 2.9Å; D251-M254 PolarHBondContact O-N 3.26Å; D251-G255 PolarHBondContact O-N 3.19Å; D251-L279 HydrophobicContact CB-CD2 3.99Å; D251-Y280 PolarHBondContact OD1-N 3.34Å; D251-Y280 PolarHBondContact OD2-N 3.09Å; D251-H281 PolarHBondContact O-ND1 3.14Å; D251-H281 WeakPolarHBondContact OD1-CA 3.18Å; D251-H281 PolarHBondContact OD1-N 3.43Å; D251-H281 IonicContact OD1-ND1 3.39Å; D251-H281 IonicContact OD2-ND1 3.04Å; D251-H281 PolarHBondContact OD2-ND1 2.97Å; D251-H281 VanDerWaalsContact OD2-ND1 3.1Å; D251-V282 HydrophobicContact CB-CG2 4.06Å; D251-V282 PolarHBondContact OD1-N 3.46Å
252R92.4Very high90.9Very high122 Ų12250.2 Ų50.246%0.4626%0.262SS..Hα-helixtrans-60.6-43.1173.8-75.5-170.2-59.6-87.66.7112A248 Q249 M254 G255 Q256A248-R252 WeakPolarHBondContact O-CG 3.31Å; A248-R252 PolarHBondContact O-N 2.83Å; A248-R252 PolarHBondContact O-NH1 3.39Å; A248-R252 VanDerWaalsContact O-NH1 3.11Å; Q249-R252 PolarHBondContact O-N 3.45Å; R252-M254 VanDerWaalsContact C-N 3.31Å; R252-M254 PolarHBondContact O-N 3.21Å; R252-G255 PolarHBondContact O-N 3.11Å; R252-Q256 WeakPolarHBondContact O-CG 3.2Å; R252-Q256 PolarHBondContact O-N 3.27Å
253D92.6Very high91.1Very high28 Ų2849.2 Ų49.215%0.1526%0.255CS..Hα-helixtrans-64.6-38.9179.9-66.8-5.1000111.3R209 Q249 F250 D251 Q257R209-D253 IonicContact CZ-OD2 2.69Å; R209-D253 IonicContact NH1-OD2 3.1Å; R209-D253 IonicContact NH2-OD2 3.92Å; R209-D253 PolarHBondContact NH2-OD2 3.04Å; Q249-D253 PolarHBondContact NE2-OD1 3.04Å; Q249-D253 PolarHBondContact O-N 2.8Å; F250-D253 PolarHBondContact O-N 3.49Å; D251-D253 VanDerWaalsContact C-N 3.33Å; D251-D253 PolarHBondContact O-N 2.9Å; D253-Q257 WeakPolarHBondContact O-CG 3.48Å; D253-Q257 PolarHBondContact O-N 2.8Å
254M93.1Very high91.3Very high0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-69.6-37.2175.2-63.9-60.5121.700112.1F173 F250 D251 R252 Q257 G258 R259 V261 H281 V282F173-M254 HydrophobicContact CZ-CE 4.38Å; F250-M254 HydrophobicContact CD2-CE 4.15Å; F250-M254 HydrophobicContact CE1-CG 4.41Å; F250-M254 HydrophobicContact CE2-CE 3.62Å; F250-M254 HydrophobicContact CE2-CG 4.37Å; F250-M254 HydrophobicContact CE2-SD 4.41Å; F250-M254 HydrophobicContact CZ-CE 4.15Å; F250-M254 HydrophobicContact CZ-CG 4.24Å; F250-M254 HydrophobicContact CZ-SD 4.38Å; F250-M254 VanDerWaalsContact O-CG 3.3Å; F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.21Å; D251-M254 PolarHBondContact O-N 3.26Å; R252-M254 VanDerWaalsContact C-N 3.31Å; R252-M254 PolarHBondContact O-N 3.21Å; M254-Q257 CarbonylContact O-C 3.39Å; M254-Q257 PolarHBondContact O-N 3.2Å; M254-G258 PolarHBondContact O-N 2.69Å; M254-R259 PolarHBondContact O-N 3.45Å; M254-V261 HydrophobicContact CB-CG2 4.43Å; M254-V261 HydrophobicContact CG-CG1 4.23Å; M254-V261 HydrophobicContact CG-CG2 3.65Å; M254-V261 HydrophobicContact SD-CB 4.36Å; M254-V261 HydrophobicContact SD-CG1 3.54Å; M254-V261 VanDerWaalsContact SD-CG1 3.54Å; M254-V261 HydrophobicContact SD-CG2 3.92Å; M254-H281 HydrophobicContact CB-CB 3.78Å; M254-V282 HydrophobicContact CG-CG2 4.16Å
255G91.5Very high91.3Very high25 Ų2543.1 Ų43.126%0.25823%0.226SC..Hα-helixtrans-63.7-40.7173.500000113.5D251 R252 Q257 G258 H281D251-G255 PolarHBondContact O-N 3.19Å; R252-G255 PolarHBondContact O-N 3.11Å; G255-Q257 PolarHBondContact O-N 2.8Å; G255-G258 PolarHBondContact O-N 3.39Å; G255-H281 VanDerWaalsContact CA-CD2 3.45Å; G255-H281 WeakPolarHBondContact CA-CD2 3.49Å; G255-H281 VanDerWaalsContact CA-CE1 3.48Å; G255-H281 WeakPolarHBondContact CA-CE1 3.4Å; G255-H281 WeakPolarHBondContact CA-NE2 3.42Å
256Q92.4Very high91.1Very high160 Ų16038.9 Ų38.975%0.74821%0.208SC*.Hα-helixtrans-62.1-29.1173.4-73.3175.68.100112.8R252R252-Q256 WeakPolarHBondContact O-CG 3.2Å; R252-Q256 PolarHBondContact O-N 3.27Å
257Q91.6Very high90.5Very high89 Ų8938 Ų3842%0.41621%0.208SC..THydrogen-bonded Turntrans-87.1-7.5175.2-64.2174.43700113.1D253 M254 G255 R259D253-Q257 WeakPolarHBondContact O-CG 3.48Å; D253-Q257 PolarHBondContact O-N 2.8Å; M254-Q257 CarbonylContact O-C 3.39Å; M254-Q257 PolarHBondContact O-N 3.2Å; G255-Q257 PolarHBondContact O-N 2.8Å; Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 HydrophobicContact CB-CB 4.47Å; Q257-R259 HydrophobicContact CB-CG 4.03Å; Q257-R259 PolarHBondContact O-N 2.93Å
258G90.6Very high89.7Confident68 Ų6846.9 Ų46.970%0.70124%0.242SC*.THydrogen-bonded Turntrans65.929-175.100000113.9M254 G255M254-G258 PolarHBondContact O-N 2.69Å; G255-G258 PolarHBondContact O-N 3.39Å
259R91.5Very high89.2Confident49 Ų4946.3 Ų46.319%0.18524%0.235CC..  trans-107.6150.5-173.8-68.6171.169.2-163.42.8112.2E170 D171 E207 M254 Q257 V261E170-R259 VanDerWaalsContact C-NH2 3.3Å; E170-R259 PolarHBondContact O-NH2 3.4Å; D171-R259 IonicContact OD1-CZ 3.07Å; D171-R259 VanDerWaalsContact OD1-CZ 3.26Å; D171-R259 IonicContact OD1-NE 2.61Å; D171-R259 PolarHBondContact OD1-NE 3.03Å; D171-R259 IonicContact OD1-NH2 3.58Å; D171-R259 PolarHBondContact OD1-NH2 3.4Å; E207-R259 IonicContact OE2-NH1 3.83Å; E207-R259 PolarHBondContact OE2-NH1 2.85Å; E207-R259 VanDerWaalsContact OE2-NH1 3.13Å; M254-R259 PolarHBondContact O-N 3.45Å; Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 HydrophobicContact CB-CB 4.47Å; Q257-R259 HydrophobicContact CB-CG 4.03Å; Q257-R259 PolarHBondContact O-N 2.93Å; R259-V261 HydrophobicContact CB-CG1 4.21Å
260Q91.1Very high88.6Confident86 Ų8644 Ų4440%0.40223%0.226SC..  trans-113.3116.7169.8-73.8-74.5-33.700107.9Y280 H281Q260-Y280 PolarHBondContact NE2-O 3.24Å; Q260-Y280 PolarHBondContact OE1-O 3.05Å; Q260-H281 WeakPolarHBondContact CA-O 3.19Å
261V92.8Very high87.8Confident0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-121.3150.3-172.1-570000111.9D171 F173 F250 M254 R259 H281 V282 K283D171-V261 HydrophobicContact CB-CB 4.48Å; D171-V261 HydrophobicContact CB-CG1 4.08Å; D171-V261 CarbonylContact O-C 3.53Å; D171-V261 VanDerWaalsContact O-CA 3.28Å; D171-V261 WeakPolarHBondContact O-CA 3.39Å; D171-V261 VanDerWaalsContact O-CB 3.3Å; D171-V261 WeakPolarHBondContact O-CB 3.5Å; F173-V261 HydrophobicContact CD2-CB 4.13Å; F173-V261 HydrophobicContact CD2-CG1 4.42Å; F173-V261 HydrophobicContact CD2-CG2 4.47Å; F173-V261 HydrophobicContact CE2-CB 4.22Å; F173-V261 HydrophobicContact CE2-CG1 4Å; F250-V261 HydrophobicContact CE1-CG2 3.87Å; F250-V261 HydrophobicContact CZ-CG2 4.02Å; M254-V261 HydrophobicContact CB-CG2 4.43Å; M254-V261 HydrophobicContact CG-CG1 4.23Å; M254-V261 HydrophobicContact CG-CG2 3.65Å; M254-V261 HydrophobicContact SD-CB 4.36Å; M254-V261 HydrophobicContact SD-CG1 3.54Å; M254-V261 VanDerWaalsContact SD-CG1 3.54Å; M254-V261 HydrophobicContact SD-CG2 3.92Å; R259-V261 HydrophobicContact CB-CG1 4.21Å; V261-H281 PolarHBondContact N-O 2.81Å; V261-V282 HydrophobicContact CG2-CB 4.4Å; V261-V282 HydrophobicContact CG2-CG1 4.47Å; V261-V282 HydrophobicContact CG2-CG2 3.85Å; V261-K283 PolarHBondContact O-N 3.48Å
262A92Very high86.8Confident0 Ų053.5 Ų53.50%029%0.289CS..EExtended strand (participates in β ladder)trans-97129.3170.800000109.8F167 D171 V172 F173 K283 L285F167-A262 HydrophobicContact CD1-CB 3.89Å; F167-A262 HydrophobicContact CD2-CB 3.77Å; F167-A262 HydrophobicContact CE1-CB 3.94Å; F167-A262 HydrophobicContact CE2-CB 3.83Å; F167-A262 HydrophobicContact CG-CB 3.79Å; F167-A262 HydrophobicContact CZ-CB 3.91Å; D171-A262 PolarHBondContact O-N 3Å; V172-A262 HydrophobicContact CG2-CB 4.5Å; F173-A262 PolarHBondContact N-O 3.45Å; A262-K283 CarbonylContact C-O 3.56Å; A262-K283 WeakPolarHBondContact CA-O 3.36Å; A262-L285 HydrophobicContact CB-CD1 3.65Å; A262-L285 HydrophobicContact CB-CG 4.2Å
263L92.6Very high86Confident0 Ų048.4 Ų48.40%027%0.271CS..EExtended strand (participates in β ladder)trans-112.7113.4175.8-174.367.5000110.2F173 W246 L247 F250 L265 V282 K283 L284 L285F173-L263 HydrophobicContact CB-CD1 3.61Å; W246-L263 HydrophobicContact CZ3-CD2 3.97Å; L247-L263 HydrophobicContact CD2-CD2 3.41Å; L247-L263 VanDerWaalsContact CD2-CD2 3.41Å; F250-L263 HydrophobicContact CD1-CD2 4.41Å; F250-L263 HydrophobicContact CE1-CB 4.49Å; F250-L263 HydrophobicContact CE1-CD1 4.19Å; F250-L263 HydrophobicContact CE1-CD2 4.35Å; L263-L265 HydrophobicContact CD2-CD1 4.05Å; L263-L265 HydrophobicContact CD2-CD2 4.3Å; L263-L265 HydrophobicContact CD2-CG 4.15Å; L263-L265 HydrophobicContact CG-CD1 4.49Å; L263-L265 HydrophobicContact CG-CD2 4.34Å; L263-L265 HydrophobicContact CG-CG 4.11Å; L263-V282 HydrophobicContact CB-CG1 3.8Å; L263-V282 HydrophobicContact CD2-CG1 4.29Å; L263-K283 PolarHBondContact N-O 3.01Å; L263-L284 HydrophobicContact CB-CD2 4.17Å; L263-L284 HydrophobicContact CD2-CD2 3.92Å; L263-L284 HydrophobicContact CG-CD2 4.5Å; L263-L285 PolarHBondContact O-N 3.27Å
264L90.7Very high84.4Confident3 Ų351.6 Ų51.62%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-75.2122.7174-60.7172000109.5L164 V172 F173 L285 L287 P295 F360 L365L164-L264 HydrophobicContact CD1-CD2 4.4Å; L164-L264 HydrophobicContact CD2-CD2 3.87Å; V172-L264 HydrophobicContact CG1-CD1 4Å; V172-L264 HydrophobicContact CG1-CG 4.27Å; F173-L264 WeakPolarHBondContact O-CB 3.17Å; F173-L264 PolarHBondContact O-N 3.36Å; L264-L285 WeakPolarHBondContact CA-O 3.42Å; L264-L285 HydrophobicContact CD2-CB 4.04Å; L264-L285 HydrophobicContact CD2-CD1 4.44Å; L264-L287 HydrophobicContact CB-CD1 4.2Å; L264-L287 HydrophobicContact CD2-CD1 4.39Å; L264-L287 HydrophobicContact CD2-CG 4.46Å; L264-P295 HydrophobicContact CB-CB 3.86Å; L264-P295 VanDerWaalsContact O-CB 3.27Å; L264-P295 WeakPolarHBondContact O-CB 3.44Å; L264-F360 HydrophobicContact CD1-CE1 4.12Å; L264-L365 HydrophobicContact CD1-CB 4.08Å; L264-L365 HydrophobicContact CD1-CD1 4.32Å; L264-L365 HydrophobicContact CD1-CD2 4.13Å; L264-L365 HydrophobicContact CD1-CG 4.41Å
265L87.3Confident82.8Confident2 Ų255 Ų551%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-135.3155.4175.4-67.7178.4000110.6C175 W243 L263 V269 V270 L273 L284 L285 P286 L287C175-L265 HydrophobicContact CB-CD2 3.83Å; W243-L265 HydrophobicContact CH2-CD2 3.42Å; W243-L265 VanDerWaalsContact CH2-CD2 3.42Å; W243-L265 HydrophobicContact CZ2-CD2 4.35Å; W243-L265 HydrophobicContact CZ3-CD1 4.27Å; W243-L265 HydrophobicContact CZ3-CD2 3.54Å; L263-L265 HydrophobicContact CD2-CD1 4.05Å; L263-L265 HydrophobicContact CD2-CD2 4.3Å; L263-L265 HydrophobicContact CD2-CG 4.15Å; L263-L265 HydrophobicContact CG-CD1 4.49Å; L263-L265 HydrophobicContact CG-CD2 4.34Å; L263-L265 HydrophobicContact CG-CG 4.11Å; L265-V269 HydrophobicContact CD1-CG1 4.39Å; L265-V270 HydrophobicContact CB-CG2 3.76Å; L265-V270 HydrophobicContact CD1-CG2 4.25Å; L265-L273 HydrophobicContact CD1-CD1 4.39Å; L265-L284 HydrophobicContact CD1-CD2 3.94Å; L265-L285 PolarHBondContact N-O 2.89Å; L265-L285 VanDerWaalsContact N-O 3.17Å; L265-P286 CarbonylContact O-C 3.6Å; L265-P286 WeakPolarHBondContact O-CA 3.43Å; L265-L287 PolarHBondContact O-N 3.01Å
266A82.9Confident81.5Confident17 Ų1755.8 Ų55.814%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-65.9138170.600000109.9R268 V269 V270 P295A266-R268 HydrophobicContact CB-CG 4.11Å; A266-R268 PolarHBondContact O-N 2.85Å; A266-R268 VanDerWaalsContact O-N 3.14Å; A266-V269 HydrophobicContact CB-CG2 4.29Å; A266-V269 WeakPolarHBondContact O-CB 3.46Å; A266-V269 PolarHBondContact O-N 2.92Å; A266-V270 PolarHBondContact O-N 2.63Å; A266-P295 HydrophobicContact CB-CG 4.39Å
267A77.8Confident79.9Confident16 Ų1653 Ų5313%0.13233%0.33CS..Hα-helixtrans-49.8-43-177.500000113.4V269 V270 E271 P286 L287A267-V269 PolarHBondContact O-N 2.82Å; A267-V270 PolarHBondContact O-N 3.3Å; A267-E271 WeakPolarHBondContact O-CG 3.22Å; A267-E271 PolarHBondContact O-N 3.34Å; A267-P286 HydrophobicContact CB-CB 4.26Å; A267-L287 WeakPolarHBondContact CB-O 3.26Å; A267-L287 PolarHBondContact N-O 3.42Å
268R76.1Confident79.2Confident188 Ų18851.4 Ų51.471%0.70934%0.337SS*.Hα-helixtrans-54.6-35.2176.365.7-178.2178.5-1080.9114.2A266 G272A266-R268 HydrophobicContact CB-CG 4.11Å; A266-R268 PolarHBondContact O-N 2.85Å; A266-R268 VanDerWaalsContact O-N 3.14Å; R268-G272 PolarHBondContact O-N 3.37Å
269V78.9Confident78.9Confident25 Ų2550.3 Ų50.315%0.15232%0.315CS..Hα-helixtrans-73.3-42.9179178.50000109.2W243 L265 A266 A267 E271 G272 L273W243-V269 HydrophobicContact CD2-CG1 3.86Å; W243-V269 HydrophobicContact CE3-CG1 4.45Å; W243-V269 HydrophobicContact CG-CG1 4.19Å; W243-V269 HydrophobicContact CZ2-CG1 3.92Å; L265-V269 HydrophobicContact CD1-CG1 4.39Å; A266-V269 HydrophobicContact CB-CG2 4.29Å; A266-V269 WeakPolarHBondContact O-CB 3.46Å; A266-V269 PolarHBondContact O-N 2.92Å; A267-V269 PolarHBondContact O-N 2.82Å; V269-E271 VanDerWaalsContact C-N 3.34Å; V269-E271 PolarHBondContact O-N 3.45Å; V269-G272 PolarHBondContact O-N 2.8Å; V269-L273 HydrophobicContact CG1-CD1 3.97Å; V269-L273 WeakPolarHBondContact O-CD1 3.22Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 3.15Å
270V77.3Confident78.7Confident33 Ų3356.1 Ų56.120%0.234%0.338CS..Hα-helixtrans-64.5-39.4178-176.70000111.4L265 A266 A267 L273 P286L265-V270 HydrophobicContact CB-CG2 3.76Å; L265-V270 HydrophobicContact CD1-CG2 4.25Å; A266-V270 PolarHBondContact O-N 2.63Å; A267-V270 PolarHBondContact O-N 3.3Å; V270-L273 CarbonylContact O-C 3.59Å; V270-L273 WeakPolarHBondContact O-CA 3.38Å; V270-L273 WeakPolarHBondContact O-CB 3.11Å; V270-L273 PolarHBondContact O-N 3.08Å; V270-P286 HydrophobicContact CB-CB 4.31Å; V270-P286 HydrophobicContact CG2-CB 3.99Å
271E75.6Confident78.7Confident143 Ų14354.6 Ų54.667%0.66833%0.331SS*.Hα-helixtrans-61.5-42174.3-72169.6-166.900112.1A267 V269 L273 A274A267-E271 WeakPolarHBondContact O-CG 3.22Å; A267-E271 PolarHBondContact O-N 3.34Å; V269-E271 VanDerWaalsContact C-N 3.34Å; V269-E271 PolarHBondContact O-N 3.45Å; E271-L273 PolarHBondContact O-N 3.13Å; E271-A274 VanDerWaalsContact O-CB 3.27Å; E271-A274 WeakPolarHBondContact O-CB 3.43Å; E271-A274 PolarHBondContact O-N 3.16Å
272G72.3Confident78.6Confident70 Ų7054.9 Ų54.972%0.72233%0.333SS*.Hα-helixtrans-65.8-14.4173.200000114.3R268 V269R268-G272 PolarHBondContact O-N 3.37Å; V269-G272 PolarHBondContact O-N 2.8Å
273L74.9Confident78.5Confident15 Ų1558.5 Ų58.58%0.07935%0.348CS..THydrogen-bonded Turntrans-99.910.9-180-67.6167.5000113.5W243 L244 L247 L265 V269 V270 E271 G275 L276W243-L273 HydrophobicContact CB-CD1 4.36Å; W243-L273 HydrophobicContact CB-CD2 3.62Å; W243-L273 HydrophobicContact CB-CG 4.48Å; L244-L273 HydrophobicContact CD1-CD2 4.13Å; L247-L273 HydrophobicContact CD1-CD1 3.64Å; L247-L273 HydrophobicContact CD1-CD2 4.29Å; L265-L273 HydrophobicContact CD1-CD1 4.39Å; V269-L273 HydrophobicContact CG1-CD1 3.97Å; V269-L273 WeakPolarHBondContact O-CD1 3.22Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 3.15Å; V270-L273 CarbonylContact O-C 3.59Å; V270-L273 WeakPolarHBondContact O-CA 3.38Å; V270-L273 WeakPolarHBondContact O-CB 3.11Å; V270-L273 PolarHBondContact O-N 3.08Å; E271-L273 PolarHBondContact O-N 3.13Å; L273-G275 PolarHBondContact O-N 3.08Å; L273-L276 HydrophobicContact CB-CD1 3.72Å; L273-L276 HydrophobicContact CB-CG 4.11Å; L273-L276 HydrophobicContact CD1-CD1 4.25Å; L273-L276 HydrophobicContact CD2-CD1 3.92Å; L273-L276 HydrophobicContact CD2-CD2 4.37Å; L273-L276 HydrophobicContact CD2-CG 4.13Å; L273-L276 HydrophobicContact CG-CD1 4.16Å; L273-L276 WeakPolarHBondContact O-CG 3.43Å; L273-L276 PolarHBondContact O-N 2.85Å; L273-L276 VanDerWaalsContact O-N 3.1Å
274A60.2Low78.3Confident94 Ų9460.5 Ų60.578%0.77736%0.359SS*.THydrogen-bonded Turntrans-63.110.9-174.900000116.6E271E271-A274 VanDerWaalsContact O-CB 3.27Å; E271-A274 WeakPolarHBondContact O-CB 3.43Å; E271-A274 PolarHBondContact O-N 3.16Å
275G59.7Low78.1Confident72 Ų7261.5 Ų61.574%0.74236%0.364SS*.THydrogen-bonded Turntrans-128.914.4175.300000114.5L273L273-G275 PolarHBondContact O-N 3.08Å
276L62.9Low77.9Confident41 Ų4165 Ų6522%0.21539%0.387CS..PPolyproline II helixtrans-64.4140.9-179.9-80.9174.4000112.4L244 L247 L273 L284L244-L276 HydrophobicContact CB-CD2 4.07Å; L244-L276 HydrophobicContact CD2-CD2 4.06Å; L244-L276 HydrophobicContact CG-CD2 3.58Å; L247-L276 HydrophobicContact CD1-CD1 3.73Å; L273-L276 HydrophobicContact CB-CD1 3.72Å; L273-L276 HydrophobicContact CB-CG 4.11Å; L273-L276 HydrophobicContact CD1-CD1 4.25Å; L273-L276 HydrophobicContact CD2-CD1 3.92Å; L273-L276 HydrophobicContact CD2-CD2 4.37Å; L273-L276 HydrophobicContact CD2-CG 4.13Å; L273-L276 HydrophobicContact CG-CD1 4.16Å; L273-L276 WeakPolarHBondContact O-CG 3.43Å; L273-L276 PolarHBondContact O-N 2.85Å; L273-L276 VanDerWaalsContact O-N 3.1Å; L276-L284 HydrophobicContact CD1-CD1 4.49Å
277P60.3Low77.8Confident102 Ų10265.6 Ų65.666%0.66239%0.388SS*.PPolyproline II helixtrans-57.9144.1160.326.3-31.7000109.3L279P277-L279 PolarHBondContact O-N 3.47Å
278G76.4Confident77.4Confident55 Ų5567.3 Ų67.357%0.56740%0.402SS*.PPolyproline II helixtrans-54122.3-173.900000112.3Y280G278-Y280 WeakPolarHBondContact O-CE2 2.82Å
279L84.6Confident76.7Confident46 Ų4663 Ų6324%0.24141%0.406CS..PPolyproline II helixtrans-72.3134.2167.6-59.1173.5000108.2L247 D251 P277 V282 L284L247-L279 HydrophobicContact CB-CD2 4.32Å; D251-L279 HydrophobicContact CB-CD2 3.99Å; P277-L279 PolarHBondContact O-N 3.47Å; L279-V282 HydrophobicContact CB-CB 4.4Å; L279-V282 WeakPolarHBondContact CB-O 3.37Å; L279-V282 HydrophobicContact CD1-CB 4.21Å; L279-V282 HydrophobicContact CD1-CG1 4.28Å; L279-L284 HydrophobicContact CD1-CD1 4.13Å; L279-L284 HydrophobicContact CD1-CD2 3.96Å; L279-L284 HydrophobicContact CD1-CG 3.95Å
280Y86.4Confident75.5Confident171 Ų17167 Ų6767%0.67144%0.436SS*.SBendtrans-98.5-30.3-175.3-63.9-76.9000112.6D251 Q260 G278D251-Y280 PolarHBondContact OD1-N 3.34Å; D251-Y280 PolarHBondContact OD2-N 3.09Å; Q260-Y280 PolarHBondContact NE2-O 3.24Å; Q260-Y280 PolarHBondContact OE1-O 3.05Å; G278-Y280 WeakPolarHBondContact O-CE2 2.82Å
281H90.9Very high74.7Confident53 Ų5367.5 Ų67.525%0.24544%0.441CS..SBendtrans-115.4-20-171.7-54.596.7000112.7D251 M254 G255 Q260 V261D251-H281 PolarHBondContact O-ND1 3.14Å; D251-H281 WeakPolarHBondContact OD1-CA 3.18Å; D251-H281 PolarHBondContact OD1-N 3.43Å; D251-H281 IonicContact OD1-ND1 3.39Å; D251-H281 IonicContact OD2-ND1 3.04Å; D251-H281 PolarHBondContact OD2-ND1 2.97Å; D251-H281 VanDerWaalsContact OD2-ND1 3.1Å; M254-H281 HydrophobicContact CB-CB 3.78Å; G255-H281 VanDerWaalsContact CA-CD2 3.45Å; G255-H281 WeakPolarHBondContact CA-CD2 3.49Å; G255-H281 VanDerWaalsContact CA-CE1 3.48Å; G255-H281 WeakPolarHBondContact CA-CE1 3.4Å; G255-H281 WeakPolarHBondContact CA-NE2 3.42Å; Q260-H281 WeakPolarHBondContact CA-O 3.19Å; V261-H281 PolarHBondContact N-O 2.81Å
282V90.9Very high74.3Confident6 Ų667.5 Ų67.54%0.03645%0.451CS..EExtended strand (participates in β ladder)trans-110.6121.8-176.8179.70000110.2F250 D251 M254 V261 L263 L279 L284F250-V282 HydrophobicContact CD1-CB 4.35Å; F250-V282 HydrophobicContact CD1-CG1 3.98Å; F250-V282 HydrophobicContact CD1-CG2 3.44Å; F250-V282 VanDerWaalsContact CD1-CG2 3.44Å; F250-V282 HydrophobicContact CE1-CB 4.44Å; F250-V282 HydrophobicContact CE1-CG1 3.89Å; F250-V282 HydrophobicContact CE1-CG2 3.63Å; F250-V282 HydrophobicContact CG-CG2 4.41Å; D251-V282 HydrophobicContact CB-CG2 4.06Å; D251-V282 PolarHBondContact OD1-N 3.46Å; M254-V282 HydrophobicContact CG-CG2 4.16Å; V261-V282 HydrophobicContact CG2-CB 4.4Å; V261-V282 HydrophobicContact CG2-CG1 4.47Å; V261-V282 HydrophobicContact CG2-CG2 3.85Å; L263-V282 HydrophobicContact CB-CG1 3.8Å; L263-V282 HydrophobicContact CD2-CG1 4.29Å; L279-V282 HydrophobicContact CB-CB 4.4Å; L279-V282 WeakPolarHBondContact CB-O 3.37Å; L279-V282 HydrophobicContact CD1-CB 4.21Å; L279-V282 HydrophobicContact CD1-CG1 4.28Å; V282-L284 HydrophobicContact CG1-CD2 4.12Å
283K89.6Confident74.3Confident76 Ų7666 Ų6633%0.3343%0.428SS..EExtended strand (participates in β ladder)trans-100.5117.5172.4-54.3-160.5-161.4164.80109.8L162 F167 V261 A262 L263L162-K283 HydrophobicContact CD1-CB 4.27Å; L162-K283 HydrophobicContact CD1-CD 3.5Å; L162-K283 HydrophobicContact CD1-CG 4.47Å; L162-K283 HydrophobicContact CD2-CD 3.96Å; L162-K283 HydrophobicContact CG-CD 4.4Å; F167-K283 HydrophobicContact CZ-CB 4.4Å; F167-K283 HydrophobicContact CZ-CD 3.99Å; F167-K283 HydrophobicContact CZ-CG 4.39Å; V261-K283 PolarHBondContact O-N 3.48Å; A262-K283 CarbonylContact C-O 3.56Å; A262-K283 WeakPolarHBondContact CA-O 3.36Å; L263-K283 PolarHBondContact N-O 3.01Å
284L88.4Confident74.7Confident43 Ų4367 Ų6723%0.22544%0.435CS..EExtended strand (participates in β ladder)trans-76.4125177.6-55.8-177.8000109.9L247 L263 L265 L276 L279 V282L247-L284 HydrophobicContact CD2-CD2 4.11Å; L263-L284 HydrophobicContact CB-CD2 4.17Å; L263-L284 HydrophobicContact CD2-CD2 3.92Å; L263-L284 HydrophobicContact CG-CD2 4.5Å; L265-L284 HydrophobicContact CD1-CD2 3.94Å; L276-L284 HydrophobicContact CD1-CD1 4.49Å; L279-L284 HydrophobicContact CD1-CD1 4.13Å; L279-L284 HydrophobicContact CD1-CD2 3.96Å; L279-L284 HydrophobicContact CD1-CG 3.95Å; V282-L284 HydrophobicContact CG1-CD2 4.12Å
285L86.5Confident76Confident23 Ų2363.4 Ų63.412%0.1240%0.404CS..EExtended strand (participates in β ladder)trans-113.1101.4174.7-66-174.6000109L162 L164 A262 L263 L264 L265 L287L162-L285 HydrophobicContact CB-CD2 4.01Å; L164-L285 HydrophobicContact CD2-CD1 3.5Å; L164-L285 VanDerWaalsContact CD2-CD1 3.5Å; L164-L285 HydrophobicContact CG-CD1 4.17Å; A262-L285 HydrophobicContact CB-CD1 3.65Å; A262-L285 HydrophobicContact CB-CG 4.2Å; L263-L285 PolarHBondContact O-N 3.27Å; L264-L285 WeakPolarHBondContact CA-O 3.42Å; L264-L285 HydrophobicContact CD2-CB 4.04Å; L264-L285 HydrophobicContact CD2-CD1 4.44Å; L265-L285 PolarHBondContact N-O 2.89Å; L265-L285 VanDerWaalsContact N-O 3.17Å; L285-L287 PolarHBondContact O-N 2.79Å
286P82.4Confident77.5Confident77 Ų7760 Ų6050%0.537%0.369SS..EExtended strand (participates in β ladder)trans-71.8127.7178.627.5-31.8000110.9L265 A267 V270L265-P286 CarbonylContact O-C 3.6Å; L265-P286 WeakPolarHBondContact O-CA 3.43Å; A267-P286 HydrophobicContact CB-CB 4.26Å; V270-P286 HydrophobicContact CB-CB 4.31Å; V270-P286 HydrophobicContact CG2-CB 3.99Å
287L80.8Confident78.8Confident28 Ų2858.1 Ų58.115%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-86127.2165.1-74.4161.7000108.9L264 L265 A267 L285 P295 L365L264-L287 HydrophobicContact CB-CD1 4.2Å; L264-L287 HydrophobicContact CD2-CD1 4.39Å; L264-L287 HydrophobicContact CD2-CG 4.46Å; L265-L287 PolarHBondContact O-N 3.01Å; A267-L287 WeakPolarHBondContact CB-O 3.26Å; A267-L287 PolarHBondContact N-O 3.42Å; L285-L287 PolarHBondContact O-N 2.79Å; L287-P295 HydrophobicContact CD1-CB 3.77Å; L287-P295 HydrophobicContact CD1-CG 3.93Å; L287-L365 HydrophobicContact CD1-CD2 4.23Å; L287-L365 HydrophobicContact CD2-CD2 4.01Å
288A69.7Low80.2Confident53 Ų5356.8 Ų56.844%0.43835%0.351SS..PPolyproline II helixtrans-56.7144.1-176.700000111.4S290 S291A288-S290 PolarHBondContact O-N 3.35Å; A288-S290 VanDerWaalsContact O-N 3.12Å; A288-S291 VanDerWaalsContact O-CB 3.27Å; A288-S291 WeakPolarHBondContact O-CB 3.35Å; A288-S291 PolarHBondContact O-N 2.94Å; A288-S291 PolarHBondContact O-OG 3.18Å
289A61Low80.9Confident96 Ų9655.9 Ų55.979%0.79334%0.336SS*.THydrogen-bonded Turntrans-61.1-21.9176.800000113.3
290S55.5Low81.3Confident110 Ų11053.7 Ų53.777%0.76933%0.325SS*.THydrogen-bonded Turntrans-83.5-7.2173.455.70000114.1A288A288-S290 PolarHBondContact O-N 3.35Å; A288-S290 VanDerWaalsContact O-N 3.12Å
291S60.6Low81.6Confident44 Ų4446.6 Ų46.631%0.30830%0.299SS..  trans-72.7132.9176.1690000110.2A288 T293A288-S291 VanDerWaalsContact O-CB 3.27Å; A288-S291 WeakPolarHBondContact O-CB 3.35Å; A288-S291 PolarHBondContact O-N 2.94Å; A288-S291 PolarHBondContact O-OG 3.18Å; S291-T293 PolarHBondContact O-N 3.44Å; S291-T293 PolarHBondContact OG-O 2.96Å
292T65.6Low81.7Confident143 Ų14347.8 Ų47.888%0.87730%0.302SS*.SBendtrans-77.4-7.4173.548.90000112.3
293T72.4Confident81.8Confident39 Ų3947.5 Ų47.524%0.23930%0.3CS..SBendtrans-98.4113.3-175.546.60000110.9S291 E363S291-T293 PolarHBondContact O-N 3.44Å; S291-T293 PolarHBondContact OG-O 2.96Å; T293-E363 HydrophobicContact CG2-CB 4.17Å
294P83.9Confident82.1Confident36 Ų3643.9 Ų43.923%0.23428%0.284CS..  trans-68158.2175.232-38.8000111.6L296 S298 E363 L365P294-L296 VanDerWaalsContact C-N 3.3Å; P294-L296 WeakPolarHBondContact CB-O 3.28Å; P294-L296 VanDerWaalsContact CG-O 3.23Å; P294-L296 WeakPolarHBondContact CG-O 3.5Å; P294-L296 PolarHBondContact O-N 3.32Å; P294-S298 WeakPolarHBondContact CG-OG 3.39Å; P294-E363 WeakPolarHBondContact CD-OE2 3.49Å; P294-L365 VanDerWaalsContact O-CD1 3.25Å; P294-L365 WeakPolarHBondContact O-CD1 3.2Å
295P87.3Confident82.4Confident18 Ų1842.9 Ų42.912%0.11728%0.278CS..SBendtrans-65-31.2-179.8-14.926.1000114.7G174 C175 L264 A266 L287G174-P295 WeakPolarHBondContact CA-O 3.1Å; C175-P295 WeakPolarHBondContact O-CB 3.28Å; L264-P295 HydrophobicContact CB-CB 3.86Å; L264-P295 VanDerWaalsContact O-CB 3.27Å; L264-P295 WeakPolarHBondContact O-CB 3.44Å; A266-P295 HydrophobicContact CB-CG 4.39Å; L287-P295 HydrophobicContact CD1-CB 3.77Å; L287-P295 HydrophobicContact CD1-CG 3.93Å
296L91.3Very high82.7Confident1 Ų141.8 Ų41.81%0.00527%0.273CS..SBendtrans-112.6129.6164.2-179.375000107.6C175 A176 L199 A201 P294 S298 V300 V301 W348 F360C175-L296 PolarHBondContact O-N 3.46Å; A176-L296 HydrophobicContact CB-CB 3.83Å; A176-L296 HydrophobicContact CB-CD2 3.69Å; A176-L296 HydrophobicContact CB-CG 4.33Å; L199-L296 HydrophobicContact CB-CD2 3.87Å; A201-L296 HydrophobicContact CB-CD1 4.46Å; P294-L296 VanDerWaalsContact C-N 3.3Å; P294-L296 WeakPolarHBondContact CB-O 3.28Å; P294-L296 VanDerWaalsContact CG-O 3.23Å; P294-L296 WeakPolarHBondContact CG-O 3.5Å; P294-L296 PolarHBondContact O-N 3.32Å; L296-S298 PolarHBondContact O-N 3.37Å; L296-V300 HydrophobicContact CD1-CG1 4.23Å; L296-V300 HydrophobicContact CD2-CG1 4.2Å; L296-V300 HydrophobicContact CG-CB 4.46Å; L296-V300 HydrophobicContact CG-CG1 4.24Å; L296-V301 HydrophobicContact CD2-CG2 3.99Å; L296-V301 HydrophobicContact CG-CG2 4.43Å; L296-W348 HydrophobicContact CD2-CH2 4.34Å; L296-F360 HydrophobicContact CD1-CE2 3.69Å; L296-F360 HydrophobicContact CD1-CZ 3.7Å
297P91.2Very high83.3Confident0 Ų039.4 Ų39.40%025%0.254CS..  trans-51.4136.7-174.6-32.236.6000114.9S299 V300 V301 F360 E363P297-S299 PolarHBondContact O-N 3.13Å; P297-V300 HydrophobicContact CB-CB 4.44Å; P297-V300 HydrophobicContact CB-CG2 4.04Å; P297-V300 HydrophobicContact CG-CG2 4.45Å; P297-V300 WeakPolarHBondContact O-CB 3.46Å; P297-V300 PolarHBondContact O-N 2.85Å; P297-V301 PolarHBondContact O-N 3.04Å; P297-F360 VanDerWaalsContact CD-CE2 3.42Å; P297-F360 HydrophobicContact CG-CB 4.4Å; P297-F360 HydrophobicContact CG-CD1 4.29Å; P297-F360 HydrophobicContact CG-CD2 3.65Å; P297-F360 HydrophobicContact CG-CE2 3.97Å; P297-F360 HydrophobicContact CG-CG 3.83Å; P297-F360 HydrophobicContact CG-CZ 4.41Å; P297-E363 WeakPolarHBondContact CA-OE1 3.36Å; P297-E363 WeakPolarHBondContact CA-OE2 3.23Å; P297-E363 HydrophobicContact CB-CG 4.39Å; P297-E363 VanDerWaalsContact CB-OE1 3.27Å; P297-E363 WeakPolarHBondContact CB-OE1 3.25Å
298S89.1Confident84Confident74 Ų7438 Ų3852%0.51725%0.247SC..Hα-helixtrans-59.8-33.4-178.4-77.50000112P294 L296 V300 V301 R302 E363P294-S298 WeakPolarHBondContact CG-OG 3.39Å; L296-S298 PolarHBondContact O-N 3.37Å; S298-V300 VanDerWaalsContact C-N 3.33Å; S298-V300 PolarHBondContact O-N 2.95Å; S298-V301 PolarHBondContact O-N 3.47Å; S298-R302 WeakPolarHBondContact O-CB 3.48Å; S298-R302 PolarHBondContact O-N 3.35Å; S298-E363 PolarHBondContact N-OE1 3.37Å; S298-E363 VanDerWaalsContact N-OE1 3.13Å
299S90.4Very high85.1Confident36 Ų3635.5 Ų35.525%0.25223%0.227SC..Hα-helixtrans-64.1-36.4176.354.50000112.5P297 R302 A303 F355 S359P297-S299 PolarHBondContact O-N 3.13Å; S299-R302 PolarHBondContact O-N 3.34Å; S299-A303 WeakPolarHBondContact O-CB 3.3Å; S299-A303 PolarHBondContact O-N 3.48Å; S299-F355 WeakPolarHBondContact O-CE1 3.44Å; S299-S359 WeakPolarHBondContact OG-CB 3.46Å; S299-S359 PolarHBondContact OG-OG 3.14Å
300V93.3Very high86.6Confident0 Ų033.1 Ų33.10%020%0.199CC..Hα-helixtrans-68-44.6175.5174.40000110.7L296 P297 S298 R302 A303 F304 W348 V351 F355 I356L296-V300 HydrophobicContact CD1-CG1 4.23Å; L296-V300 HydrophobicContact CD2-CG1 4.2Å; L296-V300 HydrophobicContact CG-CB 4.46Å; L296-V300 HydrophobicContact CG-CG1 4.24Å; P297-V300 HydrophobicContact CB-CB 4.44Å; P297-V300 HydrophobicContact CB-CG2 4.04Å; P297-V300 HydrophobicContact CG-CG2 4.45Å; P297-V300 WeakPolarHBondContact O-CB 3.46Å; P297-V300 PolarHBondContact O-N 2.85Å; S298-V300 VanDerWaalsContact C-N 3.33Å; S298-V300 PolarHBondContact O-N 2.95Å; V300-R302 VanDerWaalsContact C-N 3.35Å; V300-A303 PolarHBondContact O-N 2.99Å; V300-F304 PolarHBondContact O-N 3.19Å; V300-W348 HydrophobicContact CG1-CH2 3.88Å; V300-W348 HydrophobicContact CG1-CZ3 3.76Å; V300-V351 HydrophobicContact CG1-CG1 4.3Å; V300-F355 HydrophobicContact CG2-CD1 4.42Å; V300-F355 HydrophobicContact CG2-CE1 4.35Å; V300-I356 HydrophobicContact CG1-CG1 4.08Å; V300-I356 HydrophobicContact CG2-CB 4.38Å; V300-I356 HydrophobicContact CG2-CG1 4.1Å
301V93.2Very high88.4Confident22 Ų2232.4 Ų32.413%0.13318%0.179CC..Hα-helixtrans-61.7-44.1175.6178.40000110.8A176 L178 L296 P297 S298 A303 F304 K305A176-V301 HydrophobicContact CB-CG2 3.56Å; L178-V301 HydrophobicContact CD1-CG1 3.87Å; L178-V301 HydrophobicContact CD2-CG1 4.07Å; L178-V301 HydrophobicContact CG-CG1 4.41Å; L296-V301 HydrophobicContact CD2-CG2 3.99Å; L296-V301 HydrophobicContact CG-CG2 4.43Å; P297-V301 PolarHBondContact O-N 3.04Å; S298-V301 PolarHBondContact O-N 3.47Å; V301-A303 PolarHBondContact O-N 3.13Å; V301-F304 WeakPolarHBondContact O-CB 3.41Å; V301-F304 PolarHBondContact O-N 2.91Å; V301-K305 WeakPolarHBondContact O-CG 3.4Å; V301-K305 PolarHBondContact O-N 3.37Å
302R92.7Very high89.9Confident79 Ų7930.3 Ų30.330%0.29817%0.165SC..Hα-helixtrans-60.5-44.4176-170.4-168.5-167.580.38.5112.1S298 S299 V300 K305 A306 S393 V396 D397S298-R302 WeakPolarHBondContact O-CB 3.48Å; S298-R302 PolarHBondContact O-N 3.35Å; S299-R302 PolarHBondContact O-N 3.34Å; V300-R302 VanDerWaalsContact C-N 3.35Å; R302-K305 PolarHBondContact O-N 2.95Å; R302-A306 WeakPolarHBondContact O-CB 3.21Å; R302-A306 PolarHBondContact O-N 3.1Å; R302-S393 PolarHBondContact NH2-OG 3.17Å; R302-V396 HydrophobicContact CG-CG1 3.83Å; R302-D397 IonicContact CZ-OD1 2.69Å; R302-D397 IonicContact CZ-OD2 3.9Å; R302-D397 IonicContact NH1-OD1 3.42Å; R302-D397 PolarHBondContact NH1-OD1 3.28Å; R302-D397 IonicContact NH1-OD2 3.35Å; R302-D397 PolarHBondContact NH1-OD2 3.46Å; R302-D397 IonicContact NH2-OD1 2.8Å; R302-D397 IonicContact NH2-OD2 3.33Å; R302-D397 PolarHBondContact NH2-OD2 2.79Å
303A94Very high91Very high0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-63.2-41.8177.700000111.9S299 V300 V301 A306 H307 V351 F355 M380S299-A303 WeakPolarHBondContact O-CB 3.3Å; S299-A303 PolarHBondContact O-N 3.48Å; V300-A303 PolarHBondContact O-N 2.99Å; V301-A303 PolarHBondContact O-N 3.13Å; A303-A306 PolarHBondContact O-N 3.08Å; A303-H307 PolarHBondContact O-CD2 3.48Å; A303-H307 PolarHBondContact O-N 3.23Å; A303-V351 HydrophobicContact CB-CG1 4.5Å; A303-F355 HydrophobicContact CB-CD1 4.18Å; A303-F355 HydrophobicContact CB-CE1 3.52Å; A303-F355 HydrophobicContact CB-CZ 4.25Å; A303-M380 HydrophobicContact CB-SD 4.16Å
304F95.8Very high91.8Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-56.4-51.6171.3164-97.4000111.5L178 V197 L199 V300 V301 A306 H307 Y308 A344 A347 W348 V351L178-F304 HydrophobicContact CD1-CD1 4.41Å; L178-F304 HydrophobicContact CD1-CE1 4.33Å; V197-F304 HydrophobicContact CG1-CE1 4.44Å; V197-F304 HydrophobicContact CG1-CZ 4.19Å; L199-F304 HydrophobicContact CD1-CB 3.99Å; L199-F304 HydrophobicContact CD1-CD1 3.68Å; L199-F304 HydrophobicContact CD1-CD2 4.16Å; L199-F304 HydrophobicContact CD1-CE1 4.2Å; L199-F304 HydrophobicContact CD1-CG 3.66Å; L199-F304 HydrophobicContact CD2-CD2 4.18Å; L199-F304 HydrophobicContact CD2-CE2 4.04Å; L199-F304 HydrophobicContact CD2-CG 4.48Å; L199-F304 HydrophobicContact CD2-CZ 4.24Å; V300-F304 PolarHBondContact O-N 3.19Å; V301-F304 WeakPolarHBondContact O-CB 3.41Å; V301-F304 PolarHBondContact O-N 2.91Å; F304-A306 VanDerWaalsContact C-N 3.3Å; F304-A306 PolarHBondContact O-N 3.43Å; F304-H307 PolarHBondContact O-N 3.27Å; F304-Y308 WeakPolarHBondContact O-CB 3.27Å; F304-Y308 PolarHBondContact O-N 3.05Å; F304-A344 HydrophobicContact CE2-CB 4.36Å; F304-A344 WeakPolarHBondContact CE2-O 3.25Å; F304-A344 HydrophobicContact CZ-CB 4.14Å; F304-A347 HydrophobicContact CD2-CB 4.13Å; F304-A347 HydrophobicContact CE2-CB 4.06Å; F304-W348 HydrophobicContact CB-CE3 4.21Å; F304-W348 HydrophobicContact CB-CZ3 4.5Å; F304-W348 HydrophobicContact CD2-CB 3.97Å; F304-W348 HydrophobicContact CD2-CE3 4.06Å; F304-W348 HydrophobicContact CE2-CB 4.06Å; F304-W348 HydrophobicContact CG-CE3 4.45Å; F304-V351 HydrophobicContact CB-CG2 4.15Å
305K93.9Very high92.1Very high22 Ų2227.1 Ų27.110%0.09614%0.14CC..Hα-helixtrans-58.4-42.7178.6-72.8-170.1-179.9-167.20111.2L178 V301 R302 Y308 R309 V396 E399L178-K305 HydrophobicContact CD1-CD 4.43Å; L178-K305 VanDerWaalsContact CD1-CE 3.47Å; L178-K305 HydrophobicContact CD1-CG 4.19Å; V301-K305 WeakPolarHBondContact O-CG 3.4Å; V301-K305 PolarHBondContact O-N 3.37Å; R302-K305 PolarHBondContact O-N 2.95Å; K305-Y308 WeakPolarHBondContact O-CB 3.2Å; K305-Y308 PolarHBondContact O-N 3.41Å; K305-R309 WeakPolarHBondContact O-CB 3.38Å; K305-R309 VanDerWaalsContact O-CG 3.28Å; K305-R309 WeakPolarHBondContact O-CG 3.41Å; K305-R309 PolarHBondContact O-N 3.44Å; K305-V396 HydrophobicContact CB-CG1 3.81Å; K305-V396 WeakPolarHBondContact CD-O 3.45Å; K305-E399 IonicContact NZ-OE2 2.67Å; K305-E399 PolarHBondContact NZ-OE2 2.77Å
306A93Very high92.2Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-61-46.417700000113.1R302 A303 F304 Y308 R309 H310 M380 P381 F392 V396R302-A306 WeakPolarHBondContact O-CB 3.21Å; R302-A306 PolarHBondContact O-N 3.1Å; A303-A306 PolarHBondContact O-N 3.08Å; F304-A306 VanDerWaalsContact C-N 3.3Å; F304-A306 PolarHBondContact O-N 3.43Å; A306-Y308 VanDerWaalsContact C-N 3.28Å; A306-Y308 PolarHBondContact O-N 3.42Å; A306-R309 PolarHBondContact O-N 3Å; A306-H310 VanDerWaalsContact O-CB 3.32Å; A306-H310 WeakPolarHBondContact O-CB 3.47Å; A306-H310 PolarHBondContact O-N 3.4Å; A306-M380 HydrophobicContact CB-CE 3.26Å; A306-M380 HydrophobicContact CB-SD 3.97Å; A306-P381 HydrophobicContact CB-CG 3.98Å; A306-F392 HydrophobicContact CB-CE1 4.24Å; A306-F392 HydrophobicContact CB-CZ 4.3Å; A306-V396 HydrophobicContact CB-CG1 4.21Å; A306-V396 HydrophobicContact CB-CG2 3.83Å
307H94.9Very high91.9Very high26 Ų2628.8 Ų28.812%0.1216%0.156CC..Hα-helixtrans-62.8-37174.6-75.9-58.8000112.5A303 F304 R311 A347A303-H307 PolarHBondContact O-CD2 3.48Å; A303-H307 PolarHBondContact O-N 3.23Å; F304-H307 PolarHBondContact O-N 3.27Å; H307-R311 WeakPolarHBondContact O-CB 3.44Å; H307-R311 WeakPolarHBondContact O-CG 3.44Å; H307-R311 PolarHBondContact O-N 3.08Å; H307-R311 VanDerWaalsContact O-N 3.14Å; H307-A347 HydrophobicContact CB-CB 3.8Å
308Y94.9Very high91.6Very high0 Ų031.6 Ų31.60%018%0.179CC..Hα-helixtrans-63.3-53.8175.1-175.5-86000111.2L180 Y182 F304 K305 A306 H310 R311 L312 V343 A344L180-Y308 HydrophobicContact CD1-CD1 3.83Å; L180-Y308 HydrophobicContact CD1-CE1 4.04Å; L180-Y308 HydrophobicContact CD1-CG 4.2Å; L180-Y308 HydrophobicContact CD2-CD1 4.3Å; L180-Y308 HydrophobicContact CD2-CD2 3.93Å; L180-Y308 HydrophobicContact CD2-CE1 4.06Å; L180-Y308 HydrophobicContact CD2-CE2 3.67Å; L180-Y308 HydrophobicContact CD2-CG 4.25Å; L180-Y308 HydrophobicContact CG-CD1 4.46Å; L180-Y308 HydrophobicContact CG-CE1 4.22Å; Y182-Y308 VanDerWaalsContact CA-OH 3.31Å; Y182-Y308 WeakPolarHBondContact CA-OH 3.29Å; Y182-Y308 WeakPolarHBondContact CB-OH 3.44Å; Y182-Y308 PolarHBondContact O-OH 3.23Å; F304-Y308 WeakPolarHBondContact O-CB 3.27Å; F304-Y308 PolarHBondContact O-N 3.05Å; K305-Y308 WeakPolarHBondContact O-CB 3.2Å; K305-Y308 PolarHBondContact O-N 3.41Å; A306-Y308 VanDerWaalsContact C-N 3.28Å; A306-Y308 PolarHBondContact O-N 3.42Å; Y308-H310 PolarHBondContact O-N 2.83Å; Y308-R311 PolarHBondContact O-N 3.31Å; Y308-L312 HydrophobicContact CE1-CB 4.41Å; Y308-L312 HydrophobicContact CE1-CD2 4.11Å; Y308-L312 WeakPolarHBondContact O-CB 3.41Å; Y308-L312 PolarHBondContact O-N 3Å; Y308-V343 HydrophobicContact CD2-CB 4.18Å; Y308-V343 HydrophobicContact CD2-CG1 3.54Å; Y308-V343 HydrophobicContact CE2-CB 3.76Å; Y308-V343 HydrophobicContact CE2-CG1 3.53Å; Y308-V343 HydrophobicContact CG-CG1 4.14Å; Y308-A344 HydrophobicContact CD2-CB 4.19Å; Y308-A344 HydrophobicContact CE2-CB 4.14Å
309R92.8Very high91.4Very high0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-59.2-43.5179.7-69-39.2175.6116-8.8112.3K305 A306 R311 L312 L313 F392 F395 V396 E399K305-R309 WeakPolarHBondContact O-CB 3.38Å; K305-R309 VanDerWaalsContact O-CG 3.28Å; K305-R309 WeakPolarHBondContact O-CG 3.41Å; K305-R309 PolarHBondContact O-N 3.44Å; A306-R309 PolarHBondContact O-N 3Å; R309-R311 PolarHBondContact O-N 2.89Å; R309-L312 PolarHBondContact O-N 3.2Å; R309-L313 WeakPolarHBondContact O-CB 3.36Å; R309-L313 VanDerWaalsContact O-CG 3.3Å; R309-L313 WeakPolarHBondContact O-CG 3.23Å; R309-L313 PolarHBondContact O-N 3.47Å; R309-F392 HydrophobicContact CB-CE2 4Å; R309-F392 HydrophobicContact CB-CZ 4.42Å; R309-F395 HydrophobicContact CB-CD1 3.76Å; R309-F395 HydrophobicContact CB-CE1 3.56Å; R309-F395 HydrophobicContact CG-CD1 3.77Å; R309-F395 HydrophobicContact CG-CE1 3.66Å; R309-F395 HydrophobicContact CG-CZ 4.38Å; R309-F395 PolarHBondContact NH1-O 2.92Å; R309-V396 HydrophobicContact CB-CG2 4.38Å; R309-V396 HydrophobicContact CG-CG2 4.22Å; R309-E399 IonicContact CZ-OE1 2.62Å; R309-E399 VanDerWaalsContact NH2-CD 3.3Å; R309-E399 IonicContact NH2-OE1 3.67Å; R309-E399 PolarHBondContact NH2-OE1 2.65Å; R309-E399 IonicContact NH2-OE2 3.39Å
310H91.9Very high91Very high46 Ų4632 Ų3221%0.21317%0.17CC..Hα-helixtrans-59.8-46.7176-178-74.1000112A306 Y308 L313 S314 P381 P382 F392A306-H310 VanDerWaalsContact O-CB 3.32Å; A306-H310 WeakPolarHBondContact O-CB 3.47Å; A306-H310 PolarHBondContact O-N 3.4Å; Y308-H310 PolarHBondContact O-N 2.83Å; H310-L313 PolarHBondContact O-N 3.34Å; H310-S314 PolarHBondContact O-N 3.33Å; H310-S314 PolarHBondContact O-OG 3.43Å; H310-P381 HydrophobicContact CB-CB 4.04Å; H310-P381 HydrophobicContact CB-CG 4Å; H310-P382 PolarHBondContact CD2-O 2.82Å; H310-F392 HydrophobicContact CB-CZ 4.31Å
311R93.4Very high90.2Very high94 Ų9436.5 Ų36.536%0.35520%0.201SC..Hα-helixtrans-67.1-40.2178.4-78178167.1-883.5112.1H307 Y308 R309 S314 K315 V343 A346H307-R311 WeakPolarHBondContact O-CB 3.44Å; H307-R311 WeakPolarHBondContact O-CG 3.44Å; H307-R311 PolarHBondContact O-N 3.08Å; H307-R311 VanDerWaalsContact O-N 3.14Å; Y308-R311 PolarHBondContact O-N 3.31Å; R309-R311 PolarHBondContact O-N 2.89Å; R311-S314 PolarHBondContact O-N 2.88Å; R311-K315 WeakPolarHBondContact O-CB 3.35Å; R311-K315 PolarHBondContact O-N 2.88Å; R311-V343 HydrophobicContact CB-CG1 3.69Å; R311-A346 VanDerWaalsContact CZ-CB 3.46Å
312L92.4Very high89.2Confident1 Ų141.8 Ų41.81%0.00523%0.229CC..Hα-helixtrans-58.9-51175.2177.861000110.3A184 Y308 R309 S314 K315 L316 I335A184-L312 WeakPolarHBondContact O-CD2 3.43Å; Y308-L312 HydrophobicContact CE1-CB 4.41Å; Y308-L312 HydrophobicContact CE1-CD2 4.11Å; Y308-L312 WeakPolarHBondContact O-CB 3.41Å; Y308-L312 PolarHBondContact O-N 3Å; R309-L312 PolarHBondContact O-N 3.2Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.03Å; L312-K315 WeakPolarHBondContact O-CB 3.14Å; L312-K315 PolarHBondContact O-N 2.89Å; L312-K315 VanDerWaalsContact O-N 3.11Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.2Å; L312-L316 HydrophobicContact CG-CD1 4.05Å; L312-L316 HydrophobicContact CG-CG 4.42Å; L312-L316 VanDerWaalsContact O-CG 3.31Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 2.88Å; L312-I335 HydrophobicContact CD1-CD1 4.36Å; L312-I335 HydrophobicContact CD1-CG1 4.07Å; L312-I335 HydrophobicContact CD1-CG2 4.32Å
313L90.4Very high88.2Confident21 Ų2145.7 Ų45.711%0.1124%0.244CC..Hα-helixtrans-60-40.9177.8-72.1171.7000112.7P186 R309 H310 K315 L316 A317 P384 L387 F392 F395P186-L313 HydrophobicContact CG-CD1 4.36Å; P186-L313 HydrophobicContact CG-CD2 3.83Å; R309-L313 WeakPolarHBondContact O-CB 3.36Å; R309-L313 VanDerWaalsContact O-CG 3.3Å; R309-L313 WeakPolarHBondContact O-CG 3.23Å; R309-L313 PolarHBondContact O-N 3.47Å; H310-L313 PolarHBondContact O-N 3.34Å; L313-K315 VanDerWaalsContact C-N 3.31Å; L313-K315 PolarHBondContact O-N 3.46Å; L313-L316 PolarHBondContact O-N 3.04Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 3.12Å; L313-P384 HydrophobicContact CD1-CB 4.19Å; L313-P384 HydrophobicContact CD1-CG 3.77Å; L313-L387 HydrophobicContact CD1-CD1 3.84Å; L313-F392 HydrophobicContact CD1-CE2 4.4Å; L313-F395 HydrophobicContact CD1-CD1 4.18Å; L313-F395 HydrophobicContact CD1-CE1 3.81Å; L313-F395 HydrophobicContact CD2-CE1 4.34Å; L313-F395 HydrophobicContact CG-CE1 4.02Å
314S88.9Confident86.7Confident61 Ų6153.7 Ų53.743%0.42729%0.287SS..Hα-helixtrans-61-41.8175.6-55.80000111.6H310 R311 L312 A318H310-S314 PolarHBondContact O-N 3.33Å; H310-S314 PolarHBondContact O-OG 3.43Å; R311-S314 PolarHBondContact O-N 2.88Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.03Å; S314-A318 PolarHBondContact O-N 2.8Å
315K89.7Confident85.3Confident69 Ų6957.6 Ų57.630%0.333%0.326SS..Hα-helixtrans-67.6-42.7177.1-179.2165.3179.1153.10111.8R311 L312 L313 A318 I319 I335 D339R311-K315 WeakPolarHBondContact O-CB 3.35Å; R311-K315 PolarHBondContact O-N 2.88Å; L312-K315 WeakPolarHBondContact O-CB 3.14Å; L312-K315 PolarHBondContact O-N 2.89Å; L312-K315 VanDerWaalsContact O-N 3.11Å; L313-K315 VanDerWaalsContact C-N 3.31Å; L313-K315 PolarHBondContact O-N 3.46Å; K315-A318 PolarHBondContact O-N 3.18Å; K315-I319 HydrophobicContact CG-CD1 4.05Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 3.49Å; K315-I319 VanDerWaalsContact O-N 3.07Å; K315-I335 HydrophobicContact CD-CD1 3.91Å; K315-I335 HydrophobicContact CG-CD1 4.05Å; K315-D339 IonicContact NZ-OD1 3.66Å; K315-D339 PolarHBondContact NZ-OD1 2.64Å; K315-D339 IonicContact NZ-OD2 3.08Å
316L88.6Confident84.4Confident0 Ų058 Ų580%033%0.331CS..Hα-helixtrans-63.6-43.2177.6-67.2176.2000111.8V185 L312 L313 A318 I319 Q320 L328 A331 A332 I335V185-L316 HydrophobicContact CG2-CD1 4.2Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.2Å; L312-L316 HydrophobicContact CG-CD1 4.05Å; L312-L316 HydrophobicContact CG-CG 4.42Å; L312-L316 VanDerWaalsContact O-CG 3.31Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 2.88Å; L313-L316 PolarHBondContact O-N 3.04Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 2.81Å; L316-I319 PolarHBondContact O-N 3.28Å; L316-Q320 WeakPolarHBondContact O-CG 3.27Å; L316-Q320 PolarHBondContact O-N 3.21Å; L316-L328 HydrophobicContact CB-CD1 3.77Å; L316-L328 HydrophobicContact CD1-CD1 4.09Å; L316-L328 HydrophobicContact CG-CD1 4.46Å; L316-A331 HydrophobicContact CD2-CB 4.03Å; L316-A332 HydrophobicContact CD1-CB 4.45Å; L316-A332 HydrophobicContact CD2-CB 4.07Å; L316-I335 HydrophobicContact CD2-CD1 3.98Å; L316-I335 HydrophobicContact CD2-CG1 3.78Å
317A85.9Confident83.9Confident54 Ų5460.5 Ų60.545%0.44635%0.348SS..Hα-helixtrans-59.9-4117600000112L313 Q320 S321L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 3.12Å; A317-Q320 PolarHBondContact O-N 2.61Å; A317-S321 PolarHBondContact O-N 3.3Å; A317-S321 VanDerWaalsContact O-N 3.12Å; A317-S321 PolarHBondContact O-OG 2.83Å
318A84.9Confident83.1Confident59 Ų5961.9 Ų61.949%0.48836%0.356SS..Hα-helixtrans-64.8-40.2176.100000112.7S314 K315 L316 S321 D322S314-A318 PolarHBondContact O-N 2.8Å; K315-A318 PolarHBondContact O-N 3.18Å; L316-A318 VanDerWaalsContact C-N 3.3Å; L316-A318 PolarHBondContact O-N 2.81Å; A318-S321 PolarHBondContact O-N 2.93Å; A318-S321 PolarHBondContact O-OG 2.87Å; A318-D322 PolarHBondContact O-N 3.13Å
319I83.8Confident82.4Confident49 Ų4964.1 Ų64.125%0.25138%0.375SS..Hα-helixtrans-65.9-39.5176.8-66.5164.8000111K315 L316 D322 A331 I335K315-I319 HydrophobicContact CG-CD1 4.05Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 3.49Å; K315-I319 VanDerWaalsContact O-N 3.07Å; L316-I319 PolarHBondContact O-N 3.28Å; I319-D322 PolarHBondContact O-N 2.9Å; I319-A331 HydrophobicContact CB-CB 4.33Å; I319-A331 HydrophobicContact CG2-CB 3.89Å; I319-I335 HydrophobicContact CD1-CD1 3.94Å
320Q81.8Confident81.9Confident68 Ų6869.7 Ų69.732%0.31840%0.401SS..Hα-helixtrans-65-39.1177.8-75.3-173.2-39.600112.8L316 A317 D322 R323 L328 A331L316-Q320 WeakPolarHBondContact O-CG 3.27Å; L316-Q320 PolarHBondContact O-N 3.21Å; A317-Q320 PolarHBondContact O-N 2.61Å; Q320-D322 PolarHBondContact O-N 2.96Å; Q320-R323 PolarHBondContact O-N 2.61Å; Q320-L328 VanDerWaalsContact NE2-CB 3.31Å; Q320-L328 VanDerWaalsContact NE2-N 3.12Å; Q320-A331 HydrophobicContact CG-CB 4.17Å
321S77.3Confident81.5Confident96 Ų9667.7 Ų67.767%0.67139%0.392SS*.Hα-helixtrans-68-20.4179.454.60000114.3A317 A318A317-S321 PolarHBondContact O-N 3.3Å; A317-S321 VanDerWaalsContact O-N 3.12Å; A317-S321 PolarHBondContact O-OG 2.83Å; A318-S321 PolarHBondContact O-N 2.93Å; A318-S321 PolarHBondContact O-OG 2.87Å
322D72.1Confident81.1Confident133 Ų13363.4 Ų63.471%0.71138%0.377SS*.Hα-helixtrans-86.6-22.3-179.3-170.757.7000112.8A318 I319 Q320A318-D322 PolarHBondContact O-N 3.13Å; I319-D322 PolarHBondContact O-N 2.9Å; Q320-D322 PolarHBondContact O-N 2.96Å
323R72.9Confident80.7Confident160 Ų16064.9 Ų64.960%0.60439%0.39SS*.SBendtrans-128.489.4-174.2-62.4-176.4-177.9-168.1-0.3110.8Q320 G325 T326Q320-R323 PolarHBondContact O-N 2.61Å; R323-G325 PolarHBondContact O-N 2.77Å; R323-G325 VanDerWaalsContact O-N 3.12Å; R323-T326 WeakPolarHBondContact CB-OG1 3.43Å; R323-T326 WeakPolarHBondContact O-CB 3.43Å; R323-T326 PolarHBondContact O-N 2.76Å; R323-T326 PolarHBondContact O-OG1 3.2Å
324D61.2Low80.3Confident169 Ų16966.3 Ų66.390%0.90441%0.409SS*.THydrogen-bonded Turntrans-44.8118.7175.3-80.3-26.4000111.2
325G67.3Low80.3Confident81 Ų8163.5 Ų63.584%0.83539%0.389SS*.THydrogen-bonded Turntrans92.5-0.3177.300000116.9R323 S327R323-G325 PolarHBondContact O-N 2.77Å; R323-G325 VanDerWaalsContact O-N 3.12Å; G325-S327 PolarHBondContact O-N 3.09Å
326T74.6Confident80.3Confident32 Ų3262.2 Ų62.220%0.19639%0.387CS..  trans-74.4121.7178.5-50.50000111.3R323 E330R323-T326 WeakPolarHBondContact CB-OG1 3.43Å; R323-T326 WeakPolarHBondContact O-CB 3.43Å; R323-T326 PolarHBondContact O-N 2.76Å; R323-T326 PolarHBondContact O-OG1 3.2Å; T326-E330 HydrophobicContact CG2-CB 3.66Å
327S81.4Confident80.3Confident51 Ų5163 Ų6336%0.35739%0.392SS..  trans-67.1156.5176.168.40000111.7G325 A329 E330 A331G325-S327 PolarHBondContact O-N 3.09Å; S327-A329 PolarHBondContact O-N 2.96Å; S327-E330 WeakPolarHBondContact CB-OE2 3.5Å; S327-E330 PolarHBondContact N-OE2 2.75Å; S327-E330 PolarHBondContact O-N 3.07Å; S327-E330 VanDerWaalsContact O-N 3.12Å; S327-E330 VanDerWaalsContact OG-CG 3.23Å; S327-E330 WeakPolarHBondContact OG-CG 3.35Å; S327-E330 PolarHBondContact OG-N 3.07Å; S327-E330 PolarHBondContact OG-OE2 3Å; S327-A331 PolarHBondContact O-N 2.94Å
328L79.9Confident80.5Confident55 Ų5561.8 Ų61.829%0.28838%0.378SS..Hα-helixtrans-62.3-30.7179.4-167.355.8000112.2V185 L316 Q320 A332V185-L328 HydrophobicContact CB-CG 4.49Å; V185-L328 HydrophobicContact CG1-CB 4.19Å; V185-L328 HydrophobicContact CG1-CD2 3.17Å; V185-L328 HydrophobicContact CG1-CG 3.37Å; V185-L328 HydrophobicContact CG2-CG 4.26Å; L316-L328 HydrophobicContact CB-CD1 3.77Å; L316-L328 HydrophobicContact CD1-CD1 4.09Å; L316-L328 HydrophobicContact CG-CD1 4.46Å; Q320-L328 VanDerWaalsContact NE2-CB 3.31Å; Q320-L328 VanDerWaalsContact NE2-N 3.12Å; L328-A332 VanDerWaalsContact O-CB 3.32Å; L328-A332 WeakPolarHBondContact O-CB 3.41Å; L328-A332 PolarHBondContact O-N 3.12Å
329A79.9Confident80.8Confident48 Ų4860.7 Ų60.740%0.39736%0.364SS..Hα-helixtrans-69-39.3175.100000112.5S327 A332 A333S327-A329 PolarHBondContact O-N 2.96Å; A329-A332 PolarHBondContact O-N 3.49Å; A329-A333 PolarHBondContact O-N 3.3Å
330E81Confident81.2Confident117 Ų11758.4 Ų58.455%0.54735%0.352SS..Hα-helixtrans-69.1-41.1175.8-73.5162.3153.700111.8T326 S327 A332 A333 G334T326-E330 HydrophobicContact CG2-CB 3.66Å; S327-E330 WeakPolarHBondContact CB-OE2 3.5Å; S327-E330 PolarHBondContact N-OE2 2.75Å; S327-E330 PolarHBondContact O-N 3.07Å; S327-E330 VanDerWaalsContact O-N 3.12Å; S327-E330 VanDerWaalsContact OG-CG 3.23Å; S327-E330 WeakPolarHBondContact OG-CG 3.35Å; S327-E330 PolarHBondContact OG-N 3.07Å; S327-E330 PolarHBondContact OG-OE2 3Å; E330-A332 VanDerWaalsContact C-N 3.3Å; E330-A332 PolarHBondContact O-N 3.15Å; E330-A333 PolarHBondContact O-N 3.19Å; E330-G334 PolarHBondContact O-N 3.09Å
331A83.8Confident81.8Confident3 Ų355.1 Ų55.13%0.02534%0.337CS..Hα-helixtrans-59.8-42.2172.700000111.3L316 I319 Q320 S327 G334L316-A331 HydrophobicContact CD2-CB 4.03Å; I319-A331 HydrophobicContact CB-CB 4.33Å; I319-A331 HydrophobicContact CG2-CB 3.89Å; Q320-A331 HydrophobicContact CG-CB 4.17Å; S327-A331 PolarHBondContact O-N 2.94Å; A331-G334 PolarHBondContact O-N 3.21Å; A331-G334 VanDerWaalsContact O-N 3.17Å
332A85.1Confident82.6Confident4 Ų455 Ų553%0.03333%0.325CS..Hα-helixtrans-65.9-37.1176.800000113.2R183 V185 L316 L328 A329 E330 G334 I335R183-A332 WeakPolarHBondContact CD-O 3.37Å; R183-A332 WeakPolarHBondContact O-CB 3.32Å; V185-A332 HydrophobicContact CG2-CB 3.49Å; V185-A332 VanDerWaalsContact CG2-CB 3.49Å; L316-A332 HydrophobicContact CD1-CB 4.45Å; L316-A332 HydrophobicContact CD2-CB 4.07Å; L328-A332 VanDerWaalsContact O-CB 3.32Å; L328-A332 WeakPolarHBondContact O-CB 3.41Å; L328-A332 PolarHBondContact O-N 3.12Å; A329-A332 PolarHBondContact O-N 3.49Å; E330-A332 VanDerWaalsContact C-N 3.3Å; E330-A332 PolarHBondContact O-N 3.15Å; A332-G334 PolarHBondContact O-N 3.49Å; A332-I335 WeakPolarHBondContact O-CB 3.31Å; A332-I335 PolarHBondContact O-N 3.5Å; A332-I335 VanDerWaalsContact O-N 3.09Å
333A83.9Confident83.7Confident33 Ų3349.4 Ų49.427%0.27330%0.296SS..Hα-helixtrans-63-24.517400000112.9R183 A329 E330 I335R183-A333 PolarHBondContact NH2-O 3.34Å; R183-A333 VanDerWaalsContact NH2-O 3.11Å; A329-A333 PolarHBondContact O-N 3.3Å; E330-A333 PolarHBondContact O-N 3.19Å; A333-I335 VanDerWaalsContact C-N 3.34Å
334G83.1Confident84.8Confident51 Ų5141.8 Ų41.853%0.52627%0.268SS..THydrogen-bonded Turntrans-75.8-16.1174.400000114.6E330 A331 A332 T336E330-G334 PolarHBondContact O-N 3.09Å; A331-G334 PolarHBondContact O-N 3.21Å; A331-G334 VanDerWaalsContact O-N 3.17Å; A332-G334 PolarHBondContact O-N 3.49Å; G334-T336 PolarHBondContact O-N 2.96Å
335I88.2Confident86.4Confident2 Ų235.1 Ų35.11%0.0123%0.234CC..  trans-71.1122.5179.6-59-61.6000109.5Y182 R183 L312 K315 L316 I319 A332 A333 D339Y182-I335 HydrophobicContact CD2-CG2 4.12Å; R183-I335 HydrophobicContact CG-CB 4.34Å; R183-I335 PolarHBondContact NE-O 3Å; R183-I335 PolarHBondContact NH2-O 3.3Å; L312-I335 HydrophobicContact CD1-CD1 4.36Å; L312-I335 HydrophobicContact CD1-CG1 4.07Å; L312-I335 HydrophobicContact CD1-CG2 4.32Å; K315-I335 HydrophobicContact CD-CD1 3.91Å; K315-I335 HydrophobicContact CG-CD1 4.05Å; L316-I335 HydrophobicContact CD2-CD1 3.98Å; L316-I335 HydrophobicContact CD2-CG1 3.78Å; I319-I335 HydrophobicContact CD1-CD1 3.94Å; A332-I335 WeakPolarHBondContact O-CB 3.31Å; A332-I335 PolarHBondContact O-N 3.5Å; A332-I335 VanDerWaalsContact O-N 3.09Å; A333-I335 VanDerWaalsContact C-N 3.34Å; I335-D339 HydrophobicContact CG2-CB 3.92Å
336T89.9Confident87.7Confident41 Ų4132.5 Ų32.525%0.25220%0.204SC..  trans-91.3167.2-179.768.20000112.3C222 G334 L338 D339 A340C222-T336 HydrophobicContact CB-CG2 4.08Å; G334-T336 PolarHBondContact O-N 2.96Å; T336-L338 PolarHBondContact O-N 3.48Å; T336-L338 PolarHBondContact OG1-N 3.34Å; T336-D339 WeakPolarHBondContact CB-OD2 3.43Å; T336-D339 PolarHBondContact N-OD2 2.95Å; T336-D339 WeakPolarHBondContact O-CB 2.95Å; T336-D339 PolarHBondContact O-N 3.34Å; T336-D339 VanDerWaalsContact O-N 3.15Å; T336-D339 PolarHBondContact OG1-N 3.27Å; T336-D339 VanDerWaalsContact OG1-N 3.09Å; T336-D339 PolarHBondContact OG1-OD2 3.46Å; T336-A340 PolarHBondContact O-N 3.5Å
337V89.4Confident88.7Confident17 Ų1731 Ų3110%0.10320%0.195CC..Hα-helixtrans-62-33.2170.2176.90000111.1Y182 F223 Y235 D339 A340 L341Y182-V337 HydrophobicContact CE1-CG2 4.31Å; Y182-V337 HydrophobicContact CE2-CG2 4.37Å; F223-V337 HydrophobicContact CE2-CB 4.46Å; F223-V337 HydrophobicContact CE2-CG1 4.21Å; Y235-V337 HydrophobicContact CD2-CG1 4.28Å; Y235-V337 HydrophobicContact CE2-CG1 3.78Å; V337-D339 VanDerWaalsContact C-N 3.33Å; V337-A340 WeakPolarHBondContact O-CB 3.35Å; V337-A340 PolarHBondContact O-N 2.93Å; V337-L341 WeakPolarHBondContact O-CB 3.48Å; V337-L341 PolarHBondContact O-N 3.09Å
338L89.4Confident89.5Confident29 Ų2928.9 Ų28.915%0.15218%0.179CC..Hα-helixtrans-63.8-40.1173.7-176.564000111.5C222 F223 V226 L231 T336 L341 H342C222-L338 HydrophobicContact CB-CB 4.01Å; C222-L338 VanDerWaalsContact O-CD2 3.32Å; C222-L338 WeakPolarHBondContact O-CD2 3.28Å; F223-L338 HydrophobicContact CE2-CB 4.33Å; V226-L338 HydrophobicContact CG2-CD2 4.07Å; L231-L338 HydrophobicContact CD2-CD1 3.51Å; T336-L338 PolarHBondContact O-N 3.48Å; T336-L338 PolarHBondContact OG1-N 3.34Å; L338-L341 WeakPolarHBondContact O-CB 3.11Å; L338-L341 PolarHBondContact O-N 3.44Å; L338-H342 PolarHBondContact O-N 2.97Å; L338-H342 VanDerWaalsContact O-N 3.13Å; L338-H342 PolarHBondContact O-ND1 2.97Å
339D91.4Very high90.1Very high36 Ų3629.8 Ų29.819%0.19319%0.194CC..Hα-helixtrans-62.8-45173.3-62.9-57.1000111.1K315 I335 T336 V337 L341 H342 V343K315-D339 IonicContact NZ-OD1 3.66Å; K315-D339 PolarHBondContact NZ-OD1 2.64Å; K315-D339 IonicContact NZ-OD2 3.08Å; I335-D339 HydrophobicContact CG2-CB 3.92Å; T336-D339 WeakPolarHBondContact CB-OD2 3.43Å; T336-D339 PolarHBondContact N-OD2 2.95Å; T336-D339 WeakPolarHBondContact O-CB 2.95Å; T336-D339 PolarHBondContact O-N 3.34Å; T336-D339 VanDerWaalsContact O-N 3.15Å; T336-D339 PolarHBondContact OG1-N 3.27Å; T336-D339 VanDerWaalsContact OG1-N 3.09Å; T336-D339 PolarHBondContact OG1-OD2 3.46Å; V337-D339 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 3.07Å; D339-H342 PolarHBondContact O-N 3.47Å; D339-V343 WeakPolarHBondContact O-CB 3.49Å; D339-V343 VanDerWaalsContact O-CG2 3.25Å; D339-V343 WeakPolarHBondContact O-CG2 3.2Å; D339-V343 PolarHBondContact O-N 3.21Å
340A92.7Very high90.8Very high0 Ų033.4 Ų33.40%020%0.201CC..Hα-helixtrans-56.9-39.6176.100000111.8Y182 T336 V337 V343 A344Y182-A340 HydrophobicContact CD2-CB 3.76Å; Y182-A340 HydrophobicContact CG-CB 3.86Å; T336-A340 PolarHBondContact O-N 3.5Å; V337-A340 WeakPolarHBondContact O-CB 3.35Å; V337-A340 PolarHBondContact O-N 2.93Å; A340-V343 PolarHBondContact O-N 3.08Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 3.4Å
341L93.4Very high91.5Very high0 Ų027.8 Ų27.80%018%0.175CC..Hα-helixtrans-62.3-47177-166.9160.3000112.4L213 F223 L231 P232 A233 V337 L338 D339 S345L213-L341 HydrophobicContact CD1-CB 3.72Å; L213-L341 HydrophobicContact CD1-CG 3.99Å; F223-L341 HydrophobicContact CE1-CD1 4.18Å; F223-L341 HydrophobicContact CZ-CD1 3.91Å; L231-L341 HydrophobicContact CB-CD2 4.25Å; L231-L341 HydrophobicContact CD1-CD1 4.29Å; L231-L341 HydrophobicContact CD2-CD1 4.21Å; L231-L341 HydrophobicContact CD2-CD2 4.28Å; P232-L341 VanDerWaalsContact CD-CD2 3.49Å; P232-L341 HydrophobicContact CG-CD2 3.66Å; A233-L341 HydrophobicContact CB-CD2 3.65Å; A233-L341 HydrophobicContact CB-CG 3.8Å; V337-L341 WeakPolarHBondContact O-CB 3.48Å; V337-L341 PolarHBondContact O-N 3.09Å; L338-L341 WeakPolarHBondContact O-CB 3.11Å; L338-L341 PolarHBondContact O-N 3.44Å; D339-L341 PolarHBondContact O-N 3.07Å; L341-S345 WeakPolarHBondContact O-CB 3.36Å; L341-S345 PolarHBondContact O-N 3.11Å
342H93.4Very high91.8Very high92 Ų9229 Ų2943%0.42618%0.182SC..Hα-helixtrans-65.6-44.1175.9-7281.3000112.1L338 D339 A346L338-H342 PolarHBondContact O-N 2.97Å; L338-H342 VanDerWaalsContact O-N 3.13Å; L338-H342 PolarHBondContact O-ND1 2.97Å; D339-H342 PolarHBondContact O-N 3.47Å; H342-A346 VanDerWaalsContact O-CB 3.29Å; H342-A346 WeakPolarHBondContact O-CB 3.43Å; H342-A346 PolarHBondContact O-N 3.47Å
343V95.3Very high92.2Very high17 Ų1731.6 Ų31.610%0.10320%0.199CC..Hα-helixtrans-66.1-42.1-179.8178.60000110.9Y308 R311 D339 A340 A346 A347Y308-V343 HydrophobicContact CD2-CB 4.18Å; Y308-V343 HydrophobicContact CD2-CG1 3.54Å; Y308-V343 HydrophobicContact CE2-CB 3.76Å; Y308-V343 HydrophobicContact CE2-CG1 3.53Å; Y308-V343 HydrophobicContact CG-CG1 4.14Å; R311-V343 HydrophobicContact CB-CG1 3.69Å; D339-V343 WeakPolarHBondContact O-CB 3.49Å; D339-V343 VanDerWaalsContact O-CG2 3.25Å; D339-V343 WeakPolarHBondContact O-CG2 3.2Å; D339-V343 PolarHBondContact O-N 3.21Å; A340-V343 PolarHBondContact O-N 3.08Å; V343-A346 PolarHBondContact O-N 3.03Å; V343-A347 WeakPolarHBondContact O-CB 3.18Å; V343-A347 PolarHBondContact O-N 3.21Å
344A96Very high92.5Very high0 Ų035.6 Ų35.60%021%0.212CC..Hα-helixtrans-62.8-48.9176.700000111.6V211 L213 F304 Y308 A340 A346 A347 W348V211-A344 HydrophobicContact CG1-CB 4.49Å; L213-A344 HydrophobicContact CD1-CB 4.34Å; F304-A344 HydrophobicContact CE2-CB 4.36Å; F304-A344 WeakPolarHBondContact CE2-O 3.25Å; F304-A344 HydrophobicContact CZ-CB 4.14Å; Y308-A344 HydrophobicContact CD2-CB 4.19Å; Y308-A344 HydrophobicContact CE2-CB 4.14Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 3.4Å; A344-A346 VanDerWaalsContact C-N 3.33Å; A344-A346 PolarHBondContact O-N 3.37Å; A344-A347 PolarHBondContact O-N 3.06Å; A344-W348 WeakPolarHBondContact O-CB 3.48Å; A344-W348 PolarHBondContact O-N 3.06Å
345S95.3Very high92.8Very high28 Ų2834 Ų3420%0.19619%0.191CC..Hα-helixtrans-59.4-45.6177.3-172.90000111.6P232 L341 A347 W348 A349P232-S345 WeakPolarHBondContact O-CB 3.41Å; P232-S345 PolarHBondContact O-OG 3.37Å; L341-S345 WeakPolarHBondContact O-CB 3.36Å; L341-S345 PolarHBondContact O-N 3.11Å; S345-A347 VanDerWaalsContact C-N 3.34Å; S345-A347 PolarHBondContact O-N 2.93Å; S345-W348 PolarHBondContact O-N 3.13Å; S345-A349 PolarHBondContact O-N 3.15Å
346A94.8Very high93Very high26 Ų2633.9 Ų33.922%0.21519%0.19CC..Hα-helixtrans-68.9-30.4179.200000113.5R311 H342 V343 A344 K350R311-A346 VanDerWaalsContact CZ-CB 3.46Å; H342-A346 VanDerWaalsContact O-CB 3.29Å; H342-A346 WeakPolarHBondContact O-CB 3.43Å; H342-A346 PolarHBondContact O-N 3.47Å; V343-A346 PolarHBondContact O-N 3.03Å; A344-A346 VanDerWaalsContact C-N 3.33Å; A344-A346 PolarHBondContact O-N 3.37Å; A346-K350 VanDerWaalsContact O-CG 3.3Å; A346-K350 WeakPolarHBondContact O-CG 3.22Å; A346-K350 PolarHBondContact O-N 3.2Å
347A96Very high93Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-70.2-44.3173.300000111.1F304 H307 V343 A344 S345 A349 K350 V351F304-A347 HydrophobicContact CD2-CB 4.13Å; F304-A347 HydrophobicContact CE2-CB 4.06Å; H307-A347 HydrophobicContact CB-CB 3.8Å; V343-A347 WeakPolarHBondContact O-CB 3.18Å; V343-A347 PolarHBondContact O-N 3.21Å; A344-A347 PolarHBondContact O-N 3.06Å; S345-A347 VanDerWaalsContact C-N 3.34Å; S345-A347 PolarHBondContact O-N 2.93Å; A347-A349 PolarHBondContact O-N 3.12Å; A347-K350 PolarHBondContact O-N 2.96Å; A347-K350 VanDerWaalsContact O-N 3.1Å; A347-V351 PolarHBondContact O-N 2.97Å
348W96.6Very high93Very high8 Ų835.2 Ų35.23%0.0319%0.194CC..Hα-helixtrans-64.6-39.1178.5-173.9-132.5000112.9L199 A201 K208 R209 V211 L296 V300 F304 A344 S345 K350 V351 I356L199-W348 HydrophobicContact CB-CH2 4.37Å; L199-W348 HydrophobicContact CB-CZ2 4.35Å; L199-W348 HydrophobicContact CD1-CE3 4.23Å; L199-W348 HydrophobicContact CD1-CZ3 4.17Å; L199-W348 HydrophobicContact CD2-CD2 4Å; L199-W348 HydrophobicContact CD2-CE3 4.17Å; L199-W348 HydrophobicContact CD2-CG 4.23Å; A201-W348 HydrophobicContact CB-CH2 4.09Å; A201-W348 HydrophobicContact CB-CZ2 3.82Å; K208-W348 HydrophobicContact CB-CZ2 4.28Å; K208-W348 HydrophobicContact CD-CD2 4.18Å; K208-W348 HydrophobicContact CD-CG 4.47Å; K208-W348 HydrophobicContact CD-CZ2 4.1Å; K208-W348 HydrophobicContact CG-CZ2 3.95Å; K208-W348 PolarHBondContact NZ-O 2.96Å; R209-W348 PolarHBondContact O-NE1 2.96Å; V211-W348 HydrophobicContact CG2-CB 3.6Å; V211-W348 HydrophobicContact CG2-CG 3.64Å; L296-W348 HydrophobicContact CD2-CH2 4.34Å; V300-W348 HydrophobicContact CG1-CH2 3.88Å; V300-W348 HydrophobicContact CG1-CZ3 3.76Å; F304-W348 HydrophobicContact CB-CE3 4.21Å; F304-W348 HydrophobicContact CB-CZ3 4.5Å; F304-W348 HydrophobicContact CD2-CB 3.97Å; F304-W348 HydrophobicContact CD2-CE3 4.06Å; F304-W348 HydrophobicContact CE2-CB 4.06Å; F304-W348 HydrophobicContact CG-CE3 4.45Å; A344-W348 WeakPolarHBondContact O-CB 3.48Å; A344-W348 PolarHBondContact O-N 3.06Å; S345-W348 PolarHBondContact O-N 3.13Å; W348-K350 PolarHBondContact O-N 3.38Å; W348-V351 HydrophobicContact CE3-CB 4.33Å; W348-V351 HydrophobicContact CE3-CG2 3.9Å; W348-V351 HydrophobicContact CZ3-CB 4.35Å; W348-V351 HydrophobicContact CZ3-CG1 4.48Å; W348-V351 HydrophobicContact CZ3-CG2 4.14Å; W348-V351 PolarHBondContact O-N 3.03Å; W348-I356 HydrophobicContact CH2-CD1 4.42Å
349A94.5Very high93Very high73 Ų7333.9 Ų33.960%0.60319%0.187SC*.Hα-helixtrans-59.4-33.7173.400000112.5K208 S345 A347K208-A349 PolarHBondContact NZ-O 3.42Å; S345-A349 PolarHBondContact O-N 3.15Å; A347-A349 PolarHBondContact O-N 3.12Å
350K94.3Very high92.9Very high124 Ų12432.2 Ų32.254%0.53918%0.178SC..Hα-helixtrans-77.1-19.3-177.2-74.9-72-177.9-178.30115A346 A347 W348 P352A346-K350 VanDerWaalsContact O-CG 3.3Å; A346-K350 WeakPolarHBondContact O-CG 3.22Å; A346-K350 PolarHBondContact O-N 3.2Å; A347-K350 PolarHBondContact O-N 2.96Å; A347-K350 VanDerWaalsContact O-N 3.1Å; W348-K350 PolarHBondContact O-N 3.38Å; K350-P352 VanDerWaalsContact O-CD 3.28Å; K350-P352 WeakPolarHBondContact O-CD 3.39Å
351V94Very high92.6Very high0 Ų033 Ų330%018%0.183CC..SBendtrans-63.6119176.1-178.20000109.8K208 V300 A303 F304 A347 W348 F355 I356K208-V351 WeakPolarHBondContact CE-O 3.47Å; K208-V351 PolarHBondContact NZ-O 3.32Å; V300-V351 HydrophobicContact CG1-CG1 4.3Å; A303-V351 HydrophobicContact CB-CG1 4.5Å; F304-V351 HydrophobicContact CB-CG2 4.15Å; A347-V351 PolarHBondContact O-N 2.97Å; W348-V351 HydrophobicContact CE3-CB 4.33Å; W348-V351 HydrophobicContact CE3-CG2 3.9Å; W348-V351 HydrophobicContact CZ3-CB 4.35Å; W348-V351 HydrophobicContact CZ3-CG1 4.48Å; W348-V351 HydrophobicContact CZ3-CG2 4.14Å; W348-V351 PolarHBondContact O-N 3.03Å; V351-F355 HydrophobicContact CG1-CD1 4.14Å; V351-I356 HydrophobicContact CG1-CD1 4.11Å; V351-I356 HydrophobicContact CG1-CG1 3.89Å
352P91.6Very high92.2Very high27 Ų2739.5 Ų39.518%0.17521%0.214CC..  trans-71.4141.2-171.6-20.633.2000113.9K350 Q354 F355 I356K350-P352 VanDerWaalsContact O-CD 3.28Å; K350-P352 WeakPolarHBondContact O-CD 3.39Å; P352-Q354 VanDerWaalsContact C-N 3.31Å; P352-Q354 HydrophobicContact CB-CG 4.3Å; P352-Q354 VanDerWaalsContact CB-OE1 3.25Å; P352-Q354 PolarHBondContact O-N 3.49Å; P352-F355 HydrophobicContact CB-CB 4.21Å; P352-F355 HydrophobicContact CG-CB 4.47Å; P352-F355 WeakPolarHBondContact O-CB 3.48Å; P352-F355 PolarHBondContact O-N 3.13Å; P352-F355 VanDerWaalsContact O-N 3.1Å; P352-I356 PolarHBondContact O-N 3.37Å
353P92.4Very high91.7Very high60 Ų6037.2 Ų37.239%0.3920%0.203SC..Hα-helixtrans-54-42.6175.6-30.337.8000114.2G205 F355 I356 F357G205-P353 VanDerWaalsContact O-CB 3.27Å; G205-P353 WeakPolarHBondContact O-CB 3.29Å; P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 PolarHBondContact O-N 3.28Å; P353-I356 PolarHBondContact O-N 3.06Å; P353-F357 PolarHBondContact O-N 2.76Å
354Q90.4Very high91.1Very high116 Ų11639.1 Ų39.154%0.54223%0.226SC..Hα-helixtrans-62.8-34179.167.1-8322.400112.5P352 S358P352-Q354 VanDerWaalsContact C-N 3.31Å; P352-Q354 HydrophobicContact CB-CG 4.3Å; P352-Q354 VanDerWaalsContact CB-OE1 3.25Å; P352-Q354 PolarHBondContact O-N 3.49Å; Q354-S358 PolarHBondContact O-N 3.32Å; Q354-S358 PolarHBondContact O-OG 3.24Å
355F90.7Very high90.5Very high17 Ų1739.4 Ų39.48%0.07523%0.227CC..Hα-helixtrans-69.2-46.7177.9179.7-111.7000110.5S299 V300 A303 V351 P352 P353 F357 S358 S359 E379S299-F355 WeakPolarHBondContact O-CE1 3.44Å; V300-F355 HydrophobicContact CG2-CD1 4.42Å; V300-F355 HydrophobicContact CG2-CE1 4.35Å; A303-F355 HydrophobicContact CB-CD1 4.18Å; A303-F355 HydrophobicContact CB-CE1 3.52Å; A303-F355 HydrophobicContact CB-CZ 4.25Å; V351-F355 HydrophobicContact CG1-CD1 4.14Å; P352-F355 HydrophobicContact CB-CB 4.21Å; P352-F355 HydrophobicContact CG-CB 4.47Å; P352-F355 WeakPolarHBondContact O-CB 3.48Å; P352-F355 PolarHBondContact O-N 3.13Å; P352-F355 VanDerWaalsContact O-N 3.1Å; P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 PolarHBondContact O-N 3.28Å; F355-F357 VanDerWaalsContact C-N 3.3Å; F355-F357 PolarHBondContact O-N 3.39Å; F355-S358 WeakPolarHBondContact CA-OG 3.2Å; F355-S358 PolarHBondContact O-N 2.99Å; F355-S358 PolarHBondContact O-OG 3.48Å; F355-S359 WeakPolarHBondContact O-CB 3.37Å; F355-S359 PolarHBondContact O-N 3.31Å; F355-S359 PolarHBondContact O-OG 3.13Å; F355-E379 HydrophobicContact CB-CG 4.34Å; F355-E379 HydrophobicContact CD2-CB 3.8Å; F355-E379 HydrophobicContact CD2-CG 3.48Å; F355-E379 VanDerWaalsContact CD2-CG 3.48Å; F355-E379 VanDerWaalsContact CD2-OE2 3.28Å; F355-E379 WeakPolarHBondContact CD2-OE2 3.45Å; F355-E379 HydrophobicContact CE2-CB 3.93Å; F355-E379 HydrophobicContact CE2-CG 4Å; F355-E379 WeakPolarHBondContact CE2-OE2 3.39Å; F355-E379 HydrophobicContact CG-CB 4.32Å; F355-E379 HydrophobicContact CG-CG 4.12Å
356I92.1Very high89.7Confident0 Ų038.6 Ų38.60%022%0.222CC..Hα-helixtrans-53.9-50.6174.5-63173000109.9A201 K208 V300 W348 V351 P352 P353 S358 S359 F360A201-I356 HydrophobicContact CB-CD1 4.28Å; A201-I356 HydrophobicContact CB-CG2 4.39Å; K208-I356 HydrophobicContact CD-CD1 4.43Å; K208-I356 HydrophobicContact CG-CD1 4.37Å; V300-I356 HydrophobicContact CG1-CG1 4.08Å; V300-I356 HydrophobicContact CG2-CB 4.38Å; V300-I356 HydrophobicContact CG2-CG1 4.1Å; W348-I356 HydrophobicContact CH2-CD1 4.42Å; V351-I356 HydrophobicContact CG1-CD1 4.11Å; V351-I356 HydrophobicContact CG1-CG1 3.89Å; P352-I356 PolarHBondContact O-N 3.37Å; P353-I356 PolarHBondContact O-N 3.06Å; I356-S358 PolarHBondContact O-N 3.49Å; I356-S359 WeakPolarHBondContact O-CB 3.43Å; I356-S359 PolarHBondContact O-N 3.19Å; I356-F360 HydrophobicContact CG2-CD2 3.69Å; I356-F360 HydrophobicContact CG2-CE2 3.63Å; I356-F360 WeakPolarHBondContact O-CD2 3.45Å; I356-F360 PolarHBondContact O-N 2.81Å
357F90.4Very high88.4Confident64 Ų6439.6 Ų39.628%0.28123%0.227SC..Hα-helixtrans-58.3-48.7178.5180-110.8000113.5P169 S203 P353 F355 S359 F360 V361P169-F357 HydrophobicContact CB-CE2 4.41Å; S203-F357 WeakPolarHBondContact O-CA 3.45Å; S203-F357 WeakPolarHBondContact O-CD2 3.37Å; P353-F357 PolarHBondContact O-N 2.76Å; F355-F357 VanDerWaalsContact C-N 3.3Å; F355-F357 PolarHBondContact O-N 3.39Å; F357-S359 VanDerWaalsContact C-N 3.27Å; F357-S359 PolarHBondContact O-N 3.31Å; F357-F360 PolarHBondContact O-N 2.96Å; F357-V361 HydrophobicContact CD2-CG2 4.28Å; F357-V361 HydrophobicContact CE1-CG2 4.21Å; F357-V361 HydrophobicContact CE2-CG2 3.88Å; F357-V361 HydrophobicContact CZ-CG2 3.85Å; F357-V361 WeakPolarHBondContact O-CG2 3.43Å; F357-V361 PolarHBondContact O-N 3.18Å; F357-V361 VanDerWaalsContact O-N 3.09Å
358S88.8Confident86.6Confident23 Ų2342 Ų4216%0.16125%0.252CS..Hα-helixtrans-60-37.9177.555.10000112.7Q354 F355 I356 V361 Q362Q354-S358 PolarHBondContact O-N 3.32Å; Q354-S358 PolarHBondContact O-OG 3.24Å; F355-S358 WeakPolarHBondContact CA-OG 3.2Å; F355-S358 PolarHBondContact O-N 2.99Å; F355-S358 PolarHBondContact O-OG 3.48Å; I356-S358 PolarHBondContact O-N 3.49Å; S358-V361 PolarHBondContact O-N 3.33Å; S358-Q362 WeakPolarHBondContact O-CB 3.44Å; S358-Q362 VanDerWaalsContact O-CG 3.23Å; S358-Q362 WeakPolarHBondContact O-CG 3.48Å; S358-Q362 PolarHBondContact O-N 2.95Å
359S88.9Confident84.6Confident1 Ų151.1 Ų51.11%0.00729%0.291CS..Hα-helixtrans-67.4-44179.2-61.50000112.4S299 F355 I356 F357 V361 Q362 E363S299-S359 WeakPolarHBondContact OG-CB 3.46Å; S299-S359 PolarHBondContact OG-OG 3.14Å; F355-S359 WeakPolarHBondContact O-CB 3.37Å; F355-S359 PolarHBondContact O-N 3.31Å; F355-S359 PolarHBondContact O-OG 3.13Å; I356-S359 WeakPolarHBondContact O-CB 3.43Å; I356-S359 PolarHBondContact O-N 3.19Å; F357-S359 VanDerWaalsContact C-N 3.27Å; F357-S359 PolarHBondContact O-N 3.31Å; S359-V361 VanDerWaalsContact C-N 3.32Å; S359-V361 PolarHBondContact O-N 2.91Å; S359-Q362 PolarHBondContact O-N 3.24Å; S359-E363 PolarHBondContact O-N 3.12Å; S359-E363 VanDerWaalsContact O-N 3.08Å
360F89.3Confident82.7Confident0 Ų053.7 Ų53.70%030%0.3CS..Hα-helixtrans-63.8-37.8176.4-89.2-94.8000112.1S203 L264 L296 P297 I356 F357 G364 L365 A366S203-F360 VanDerWaalsContact CB-CD1 3.48Å; L264-F360 HydrophobicContact CD1-CE1 4.12Å; L296-F360 HydrophobicContact CD1-CE2 3.69Å; L296-F360 HydrophobicContact CD1-CZ 3.7Å; P297-F360 VanDerWaalsContact CD-CE2 3.42Å; P297-F360 HydrophobicContact CG-CB 4.4Å; P297-F360 HydrophobicContact CG-CD1 4.29Å; P297-F360 HydrophobicContact CG-CD2 3.65Å; P297-F360 HydrophobicContact CG-CE2 3.97Å; P297-F360 HydrophobicContact CG-CG 3.83Å; P297-F360 HydrophobicContact CG-CZ 4.41Å; I356-F360 HydrophobicContact CG2-CD2 3.69Å; I356-F360 HydrophobicContact CG2-CE2 3.63Å; I356-F360 WeakPolarHBondContact O-CD2 3.45Å; I356-F360 PolarHBondContact O-N 2.81Å; F357-F360 PolarHBondContact O-N 2.96Å; F360-G364 PolarHBondContact O-N 3.25Å; F360-L365 HydrophobicContact CD1-CB 3.66Å; F360-L365 HydrophobicContact CD1-CD1 4.42Å; F360-L365 HydrophobicContact CE1-CB 4.37Å; F360-L365 PolarHBondContact O-N 2.96Å; F360-A366 HydrophobicContact CB-CB 3.94Å; F360-A366 PolarHBondContact O-N 2.87Å
361V86.4Confident80.6Confident18 Ų1850.6 Ų50.611%0.10929%0.292CS..Hα-helixtrans-67.8-42.1176.11760000111.2F357 S358 S359 E363 G364 A366F357-V361 HydrophobicContact CD2-CG2 4.28Å; F357-V361 HydrophobicContact CE1-CG2 4.21Å; F357-V361 HydrophobicContact CE2-CG2 3.88Å; F357-V361 HydrophobicContact CZ-CG2 3.85Å; F357-V361 WeakPolarHBondContact O-CG2 3.43Å; F357-V361 PolarHBondContact O-N 3.18Å; F357-V361 VanDerWaalsContact O-N 3.09Å; S358-V361 PolarHBondContact O-N 3.33Å; S359-V361 VanDerWaalsContact C-N 3.32Å; S359-V361 PolarHBondContact O-N 2.91Å; V361-E363 VanDerWaalsContact C-N 3.29Å; V361-E363 PolarHBondContact O-N 3.41Å; V361-G364 PolarHBondContact O-N 3.19Å; V361-G364 VanDerWaalsContact O-N 3.11Å; V361-A366 HydrophobicContact CG2-CB 3.97Å
362Q84.7Confident78.3Confident136 Ų13656.6 Ų56.664%0.63633%0.332SS*.Hα-helixtrans-61.4-37.2177.6-77172.910.400112.5S358 S359 G364S358-Q362 WeakPolarHBondContact O-CB 3.44Å; S358-Q362 VanDerWaalsContact O-CG 3.23Å; S358-Q362 WeakPolarHBondContact O-CG 3.48Å; S358-Q362 PolarHBondContact O-N 2.95Å; S359-Q362 PolarHBondContact O-N 3.24Å; Q362-G364 VanDerWaalsContact C-N 3.29Å
363E83.8Confident76.1Confident44 Ų4460.4 Ų60.421%0.20636%0.359CS..THydrogen-bonded Turntrans-84.71177.4-65.3-170-168.200113.4T293 P294 P297 S298 S359 V361 L365T293-E363 HydrophobicContact CG2-CB 4.17Å; P294-E363 WeakPolarHBondContact CD-OE2 3.49Å; P297-E363 WeakPolarHBondContact CA-OE1 3.36Å; P297-E363 WeakPolarHBondContact CA-OE2 3.23Å; P297-E363 HydrophobicContact CB-CG 4.39Å; P297-E363 VanDerWaalsContact CB-OE1 3.27Å; P297-E363 WeakPolarHBondContact CB-OE1 3.25Å; S298-E363 PolarHBondContact N-OE1 3.37Å; S298-E363 VanDerWaalsContact N-OE1 3.13Å; S359-E363 PolarHBondContact O-N 3.12Å; S359-E363 VanDerWaalsContact O-N 3.08Å; V361-E363 VanDerWaalsContact C-N 3.29Å; V361-E363 PolarHBondContact O-N 3.41Å; E363-L365 HydrophobicContact CB-CD1 4.06Å; E363-L365 HydrophobicContact CB-CG 4.09Å; E363-L365 PolarHBondContact O-N 3.32Å
364G82.4Confident73.8Confident56 Ų5662.2 Ų62.258%0.57737%0.373SS*.THydrogen-bonded Turntrans70.918.3179.200000114.3F360 V361 Q362F360-G364 PolarHBondContact O-N 3.25Å; V361-G364 PolarHBondContact O-N 3.19Å; V361-G364 VanDerWaalsContact O-N 3.11Å; Q362-G364 VanDerWaalsContact C-N 3.29Å
365L83.1Confident71.4Confident6 Ų665.2 Ų65.23%0.03139%0.386CS..  trans-94.4-1.6-177.4-62.3176.2000113.2L264 L287 P294 F360 E363L264-L365 HydrophobicContact CD1-CB 4.08Å; L264-L365 HydrophobicContact CD1-CD1 4.32Å; L264-L365 HydrophobicContact CD1-CD2 4.13Å; L264-L365 HydrophobicContact CD1-CG 4.41Å; L287-L365 HydrophobicContact CD1-CD2 4.23Å; L287-L365 HydrophobicContact CD2-CD2 4.01Å; P294-L365 VanDerWaalsContact O-CD1 3.25Å; P294-L365 WeakPolarHBondContact O-CD1 3.2Å; F360-L365 HydrophobicContact CD1-CB 3.66Å; F360-L365 HydrophobicContact CD1-CD1 4.42Å; F360-L365 HydrophobicContact CE1-CB 4.37Å; F360-L365 PolarHBondContact O-N 2.96Å; E363-L365 HydrophobicContact CB-CD1 4.06Å; E363-L365 HydrophobicContact CB-CG 4.09Å; E363-L365 PolarHBondContact O-N 3.32Å
366A78.4Confident69.2Low11 Ų1174.1 Ų74.19%0.09143%0.425CS..SBendtrans-123.1144.5175.200000112.1F360 V361 G368F360-A366 HydrophobicContact CB-CB 3.94Å; F360-A366 PolarHBondContact O-N 2.87Å; V361-A366 HydrophobicContact CG2-CB 3.97Å; A366-G368 PolarHBondContact O-N 2.87Å; A366-G368 VanDerWaalsContact O-N 3.15Å
367P66.9Low66.7Low47 Ų4777 Ų7731%0.30545%0.449SS..SBendtrans-70.2106.8169.512.2-7000110.4F167 P169F167-P367 VanDerWaalsContact O-CG 3.22Å; F167-P367 WeakPolarHBondContact O-CG 3.31Å; P169-P367 HydrophobicContact CG-CG 4.04Å
368G58.4Low65Low51 Ų5179 Ų7953%0.52647%0.47SS..  trans-177.9151.1176.400000113.1A366A366-G368 PolarHBondContact O-N 2.87Å; A366-G368 VanDerWaalsContact O-N 3.15Å
369K55.3Low63.7Low199 Ų19981.2 Ų81.287%0.86548%0.479SS*.SBendtrans-78.9152.8166.6-74.4-178.4179.3178.20109.5
370T53.5Low62.9Low128 Ų12884.1 Ų84.179%0.78549%0.493SS*.  trans-32.8136.4-176.617.50000114.6
371P51.3Low62.3Low58 Ų5884.9 Ų84.938%0.37750%0.497SS..PPolyproline II helixtrans-62.6140.8-177.625.3-32000110.8
372P44.8Very low62.1Low127 Ų12788.5 Ų88.583%0.82552%0.521SS*.PPolyproline II helixtrans-60.7139.4169.825-30.7000109.6
373S45.2Very low61.9Low106 Ų10684.5 Ų84.574%0.74151%0.506SS*.SBendtrans-51.7133.7-174.653.10000114.2
374S45.3Very low61.7Low98 Ų9883.2 Ų83.269%0.68550%0.502SS*.  trans37.984.315673.80000117.7
375H40.3Very low61.2Low179 Ų17984.7 Ų84.783%0.82952%0.517SS*.  trans-101.493.1140.7-90.6-82.8000107.6A377H375-A377 PolarHBondContact O-N 3.36Å
376K43.2Very low60.8Low204 Ų20488.3 Ų88.389%0.88756%0.556SS**  trans-67.469.6166.5-72-178.1177.4-179.40109
377A40.6Very low60.8Low60 Ų6089.9 Ų89.950%0.49656%0.562SS.*  trans-67.6133.2148.500000105H375 E379H375-A377 PolarHBondContact O-N 3.36Å; A377-E379 VanDerWaalsContact C-N 3.26Å; A377-E379 WeakPolarHBondContact O-CG 3.43Å; A377-E379 PolarHBondContact O-N 3.45Å
378S54.5Low61.4Low106 Ų10690.2 Ų90.274%0.74157%0.566SS**  trans-64.295.3175.1-176.90000108M380S378-M380 PolarHBondContact O-N 2.59Å; S378-M380 PolarHBondContact OG-O 3.32Å; S378-M380 VanDerWaalsContact OG-O 3.06Å
379E60.5Low62.6Low71 Ų7193.8 Ų93.833%0.33257%0.572SS.*  trans-67.6-17.5-177.2-73.4154.2177.600112.3F355 A377F355-E379 HydrophobicContact CB-CG 4.34Å; F355-E379 HydrophobicContact CD2-CB 3.8Å; F355-E379 HydrophobicContact CD2-CG 3.48Å; F355-E379 VanDerWaalsContact CD2-CG 3.48Å; F355-E379 VanDerWaalsContact CD2-OE2 3.28Å; F355-E379 WeakPolarHBondContact CD2-OE2 3.45Å; F355-E379 HydrophobicContact CE2-CB 3.93Å; F355-E379 HydrophobicContact CE2-CG 4Å; F355-E379 WeakPolarHBondContact CE2-OE2 3.39Å; F355-E379 HydrophobicContact CG-CB 4.32Å; F355-E379 HydrophobicContact CG-CG 4.12Å; A377-E379 VanDerWaalsContact C-N 3.26Å; A377-E379 WeakPolarHBondContact O-CG 3.43Å; A377-E379 PolarHBondContact O-N 3.45Å
380M72.3Confident63.8Low62 Ų6290.9 Ų90.931%0.30556%0.562SS.*SBendtrans-102.6146.9177.3-63.6-70.4-78.400110A303 A306 S378A303-M380 HydrophobicContact CB-SD 4.16Å; A306-M380 HydrophobicContact CB-CE 3.26Å; A306-M380 HydrophobicContact CB-SD 3.97Å; S378-M380 PolarHBondContact O-N 2.59Å; S378-M380 PolarHBondContact OG-O 3.32Å; S378-M380 VanDerWaalsContact OG-O 3.06Å
381P78.1Confident65.2Low15 Ų1589.7 Ų89.710%0.09755%0.547CS..PPolyproline II helixtrans-59.2152.817128.2-34.3000110.4A306 H310 F392A306-P381 HydrophobicContact CB-CG 3.98Å; H310-P381 HydrophobicContact CB-CB 4.04Å; H310-P381 HydrophobicContact CB-CG 4Å; P381-F392 HydrophobicContact CG-CE1 4.38Å; P381-F392 HydrophobicContact CG-CZ 4.33Å
382P81.7Confident66.7Low94 Ų9487.2 Ų87.261%0.6153%0.53SS*.PPolyproline II helixtrans-57.5149.4173.227.1-34.4000109.9H310 P384H310-P382 PolarHBondContact CD2-O 2.82Å; P382-P384 WeakPolarHBondContact O-CD 3.37Å
383V80.3Confident68.5Low52 Ų5283.2 Ų83.232%0.31551%0.506SS..PPolyproline II helixtrans-64.1127.5176.5-177.50000108.3L387 L389 F392V383-L387 HydrophobicContact CG1-CB 4.11Å; V383-L387 WeakPolarHBondContact CG1-O 3.41Å; V383-L389 HydrophobicContact CG2-CB 4.32Å; V383-L389 HydrophobicContact CG2-CD1 3.66Å; V383-F392 HydrophobicContact CG1-CB 3.91Å; V383-F392 HydrophobicContact CG1-CG 4.36Å; V383-F392 HydrophobicContact CG2-CD1 4.46Å
384P80.1Confident70.3Confident18 Ų1885.7 Ų85.712%0.11750%0.499CS..PPolyproline II helixtrans-55.5141.9175.6-25.634.8000111.7L313 P382 G386 L387 F392L313-P384 HydrophobicContact CD1-CB 4.19Å; L313-P384 HydrophobicContact CD1-CG 3.77Å; P382-P384 WeakPolarHBondContact O-CD 3.37Å; P384-G386 PolarHBondContact O-N 3.09Å; P384-L387 PolarHBondContact O-N 2.7Å; P384-F392 HydrophobicContact CG-CD2 4.12Å; P384-F392 HydrophobicContact CG-CE2 3.94Å
385G72.4Confident72.2Confident86 Ų8681.5 Ų81.589%0.88747%0.468SS*.THydrogen-bonded Turntrans-56.3133.2177.700000111.7
386G73.1Confident74.3Confident83 Ų8373 Ų7386%0.85643%0.429SS*.THydrogen-bonded Turntrans94.1-1.9-178.800000115.4P384P384-G386 PolarHBondContact O-N 3.09Å
387L78.8Confident76.3Confident44 Ų4465.8 Ų65.823%0.2340%0.4CS..  trans-117.5145.6171.2-63.4173.9000111P186 L313 V383 P384 E391 F392P186-L387 HydrophobicContact CB-CD2 4.07Å; P186-L387 HydrophobicContact CG-CD1 3.97Å; P186-L387 HydrophobicContact CG-CD2 4.32Å; L313-L387 HydrophobicContact CD1-CD1 3.84Å; V383-L387 HydrophobicContact CG1-CB 4.11Å; V383-L387 WeakPolarHBondContact CG1-O 3.41Å; P384-L387 PolarHBondContact O-N 2.7Å; L387-E391 HydrophobicContact CD2-CB 4.33Å; L387-F392 HydrophobicContact CD1-CD2 4.33Å
388S80.6Confident78.3Confident53 Ų5364.3 Ų64.337%0.37138%0.384SS..  trans-75.7161.9164.566.80000111.3E390 E391 F392S388-E390 PolarHBondContact O-N 2.98Å; S388-E391 VanDerWaalsContact CB-OE2 3.3Å; S388-E391 WeakPolarHBondContact CB-OE2 3.33Å; S388-E391 PolarHBondContact N-OE2 2.8Å; S388-E391 PolarHBondContact O-N 3.15Å; S388-E391 WeakPolarHBondContact OG-CB 3.49Å; S388-E391 WeakPolarHBondContact OG-CG 3.22Å; S388-E391 PolarHBondContact OG-N 3.27Å; S388-E391 PolarHBondContact OG-OE2 2.83Å; S388-F392 PolarHBondContact O-N 3.4Å
389L82.5Confident79.4Confident127 Ų12761.1 Ų61.167%0.66536%0.357SS*.Hα-helixtrans-57.9-39.2175.9-179.764.5000111.8V383 S393V383-L389 HydrophobicContact CG2-CB 4.32Å; V383-L389 HydrophobicContact CG2-CD1 3.66Å; L389-S393 WeakPolarHBondContact O-CB 3.32Å; L389-S393 PolarHBondContact O-N 3.5Å
390E81.4Confident79.4Confident138 Ų13861 Ų6165%0.64537%0.374SS*.Hα-helixtrans-69.1-44.2179.8-66.4-177.2-172.800111.8S388 F392 S393 R394S388-E390 PolarHBondContact O-N 2.98Å; E390-F392 PolarHBondContact O-N 3.42Å; E390-S393 WeakPolarHBondContact O-CB 3.47Å; E390-S393 PolarHBondContact O-N 3.22Å; E390-R394 WeakPolarHBondContact O-CG 3.38Å; E390-R394 PolarHBondContact O-N 3.39Å
391E82.8Confident78.5Confident102 Ų10263.4 Ų63.448%0.47739%0.385SS..Hα-helixtrans-62.2-44176.7-72.9162.9146.600111.5L387 S388 S393 R394 F395L387-E391 HydrophobicContact CD2-CB 4.33Å; S388-E391 VanDerWaalsContact CB-OE2 3.3Å; S388-E391 WeakPolarHBondContact CB-OE2 3.33Å; S388-E391 PolarHBondContact N-OE2 2.8Å; S388-E391 PolarHBondContact O-N 3.15Å; S388-E391 WeakPolarHBondContact OG-CB 3.49Å; S388-E391 WeakPolarHBondContact OG-CG 3.22Å; S388-E391 PolarHBondContact OG-N 3.27Å; S388-E391 PolarHBondContact OG-OE2 2.83Å; E391-S393 VanDerWaalsContact C-N 3.35Å; E391-R394 PolarHBondContact O-N 3.37Å; E391-F395 WeakPolarHBondContact O-CB 3.5Å; E391-F395 PolarHBondContact O-N 2.97Å
392F82Confident76.6Confident6 Ų671.2 Ų71.23%0.02642%0.42CS..Hα-helixtrans-65.6-40.5176.2-176.2-114.3000111.6A306 R309 H310 L313 P381 V383 P384 L387 S388 E390 R394 F395 V396A306-F392 HydrophobicContact CB-CE1 4.24Å; A306-F392 HydrophobicContact CB-CZ 4.3Å; R309-F392 HydrophobicContact CB-CE2 4Å; R309-F392 HydrophobicContact CB-CZ 4.42Å; H310-F392 HydrophobicContact CB-CZ 4.31Å; L313-F392 HydrophobicContact CD1-CE2 4.4Å; P381-F392 HydrophobicContact CG-CE1 4.38Å; P381-F392 HydrophobicContact CG-CZ 4.33Å; V383-F392 HydrophobicContact CG1-CB 3.91Å; V383-F392 HydrophobicContact CG1-CG 4.36Å; V383-F392 HydrophobicContact CG2-CD1 4.46Å; P384-F392 HydrophobicContact CG-CD2 4.12Å; P384-F392 HydrophobicContact CG-CE2 3.94Å; L387-F392 HydrophobicContact CD1-CD2 4.33Å; S388-F392 PolarHBondContact O-N 3.4Å; E390-F392 PolarHBondContact O-N 3.42Å; F392-R394 PolarHBondContact O-N 2.88Å; F392-F395 HydrophobicContact CD2-CD1 4.38Å; F392-F395 WeakPolarHBondContact O-CB 3.43Å; F392-F395 PolarHBondContact O-N 2.97Å; F392-V396 HydrophobicContact CD1-CG2 4.33Å; F392-V396 HydrophobicContact CE1-CG2 3.98Å; F392-V396 HydrophobicContact CE2-CG2 4.2Å; F392-V396 HydrophobicContact CZ-CG2 3.91Å; F392-V396 VanDerWaalsContact O-CG2 3.31Å; F392-V396 WeakPolarHBondContact O-CG2 3.45Å; F392-V396 PolarHBondContact O-N 3.27Å
393S82.8Confident74.5Confident44 Ų4471.1 Ų71.131%0.30842%0.42SS..Hα-helixtrans-60.3-44.8176-174.40000112.1R302 L389 E390 E391 F395 V396 D397R302-S393 PolarHBondContact NH2-OG 3.17Å; L389-S393 WeakPolarHBondContact O-CB 3.32Å; L389-S393 PolarHBondContact O-N 3.5Å; E390-S393 WeakPolarHBondContact O-CB 3.47Å; E390-S393 PolarHBondContact O-N 3.22Å; E391-S393 VanDerWaalsContact C-N 3.35Å; S393-F395 VanDerWaalsContact C-N 3.34Å; S393-V396 PolarHBondContact O-N 3.2Å; S393-D397 PolarHBondContact O-N 3.28Å
394R84.1Confident72.2Confident158 Ų15871.1 Ų71.160%0.59643%0.43SS*.Hα-helixtrans-62.7-41.5173.9-71.3179.7-174.7174.84111.8E390 E391 F392 V396 D397 L398E390-R394 WeakPolarHBondContact O-CG 3.38Å; E390-R394 PolarHBondContact O-N 3.39Å; E391-R394 PolarHBondContact O-N 3.37Å; F392-R394 PolarHBondContact O-N 2.88Å; R394-V396 VanDerWaalsContact C-N 3.28Å; R394-V396 PolarHBondContact O-N 3.27Å; R394-D397 CarbonylContact O-C 3.49Å; R394-D397 PolarHBondContact O-N 3.38Å; R394-D397 VanDerWaalsContact O-N 3.13Å; R394-L398 PolarHBondContact O-N 2.97Å; R394-L398 VanDerWaalsContact O-N 3.14Å
395F83.9Confident69.9Low9 Ų977.5 Ų77.54%0.03947%0.471CS..Hα-helixtrans-64.3-31.8177.6-177.9-120.9000113.4A184 V185 P186 R309 L313 E391 F392 S393 D397 L398A184-F395 HydrophobicContact CB-CE2 3.98Å; A184-F395 HydrophobicContact CB-CZ 4.38Å; A184-F395 WeakPolarHBondContact O-CZ 3.38Å; V185-F395 VanDerWaalsContact C-CE2 3.44Å; P186-F395 HydrophobicContact CB-CD2 4.42Å; P186-F395 HydrophobicContact CG-CD1 4.17Å; P186-F395 HydrophobicContact CG-CD2 4.06Å; P186-F395 HydrophobicContact CG-CE1 4.15Å; P186-F395 HydrophobicContact CG-CE2 4.05Å; P186-F395 HydrophobicContact CG-CG 4.12Å; P186-F395 HydrophobicContact CG-CZ 4.11Å; R309-F395 HydrophobicContact CB-CD1 3.76Å; R309-F395 HydrophobicContact CB-CE1 3.56Å; R309-F395 HydrophobicContact CG-CD1 3.77Å; R309-F395 HydrophobicContact CG-CE1 3.66Å; R309-F395 HydrophobicContact CG-CZ 4.38Å; R309-F395 PolarHBondContact NH1-O 2.92Å; L313-F395 HydrophobicContact CD1-CD1 4.18Å; L313-F395 HydrophobicContact CD1-CE1 3.81Å; L313-F395 HydrophobicContact CD2-CE1 4.34Å; L313-F395 HydrophobicContact CG-CE1 4.02Å; E391-F395 WeakPolarHBondContact O-CB 3.5Å; E391-F395 PolarHBondContact O-N 2.97Å; F392-F395 HydrophobicContact CD2-CD1 4.38Å; F392-F395 WeakPolarHBondContact O-CB 3.43Å; F392-F395 PolarHBondContact O-N 2.97Å; S393-F395 VanDerWaalsContact C-N 3.34Å; F395-D397 VanDerWaalsContact C-N 3.34Å; F395-L398 HydrophobicContact CD2-CD2 4.39Å; F395-L398 HydrophobicContact CE2-CD2 4.42Å; F395-L398 WeakPolarHBondContact O-CB 3.3Å
396V85.1Confident68.1Low1 Ų176.3 Ų76.31%0.00646%0.459CS..Hα-helixtrans-69.2-33.3173.9168.90000111.9R302 K305 A306 R309 F392 S393 R394R302-V396 HydrophobicContact CG-CG1 3.83Å; K305-V396 HydrophobicContact CB-CG1 3.81Å; K305-V396 WeakPolarHBondContact CD-O 3.45Å; A306-V396 HydrophobicContact CB-CG1 4.21Å; A306-V396 HydrophobicContact CB-CG2 3.83Å; R309-V396 HydrophobicContact CB-CG2 4.38Å; R309-V396 HydrophobicContact CG-CG2 4.22Å; F392-V396 HydrophobicContact CD1-CG2 4.33Å; F392-V396 HydrophobicContact CE1-CG2 3.98Å; F392-V396 HydrophobicContact CE2-CG2 4.2Å; F392-V396 HydrophobicContact CZ-CG2 3.91Å; F392-V396 VanDerWaalsContact O-CG2 3.31Å; F392-V396 WeakPolarHBondContact O-CG2 3.45Å; F392-V396 PolarHBondContact O-N 3.27Å; S393-V396 PolarHBondContact O-N 3.2Å; R394-V396 VanDerWaalsContact C-N 3.28Å; R394-V396 PolarHBondContact O-N 3.27Å
397D84Confident66Low53 Ų5377.6 Ų77.628%0.28345%0.45SS..THydrogen-bonded Turntrans-97.116.4-179.7-64.7-31000113.9R302 S393 R394 F395 E399 G400R302-D397 IonicContact CZ-OD1 2.69Å; R302-D397 IonicContact CZ-OD2 3.9Å; R302-D397 IonicContact NH1-OD1 3.42Å; R302-D397 PolarHBondContact NH1-OD1 3.28Å; R302-D397 IonicContact NH1-OD2 3.35Å; R302-D397 PolarHBondContact NH1-OD2 3.46Å; R302-D397 IonicContact NH2-OD1 2.8Å; R302-D397 IonicContact NH2-OD2 3.33Å; R302-D397 PolarHBondContact NH2-OD2 2.79Å; S393-D397 PolarHBondContact O-N 3.28Å; R394-D397 CarbonylContact O-C 3.49Å; R394-D397 PolarHBondContact O-N 3.38Å; R394-D397 VanDerWaalsContact O-N 3.13Å; F395-D397 VanDerWaalsContact C-N 3.34Å; D397-E399 PolarHBondContact O-N 3.1Å; D397-G400 PolarHBondContact O-N 2.98Å
398L83.5Confident63.9Low29 Ų2980.6 Ų80.615%0.15247%0.473CS..G310 helixtrans-53.4-32.5-171.3-169.767000113.5L181 A184 L189 R394 F395 G400L181-L398 HydrophobicContact CD1-CD2 3.84Å; L181-L398 HydrophobicContact CD1-CG 4.12Å; A184-L398 HydrophobicContact CB-CD2 3.65Å; L189-L398 HydrophobicContact CD2-CD1 3.96Å; R394-L398 PolarHBondContact O-N 2.97Å; R394-L398 VanDerWaalsContact O-N 3.14Å; F395-L398 HydrophobicContact CD2-CD2 4.39Å; F395-L398 HydrophobicContact CE2-CD2 4.42Å; F395-L398 WeakPolarHBondContact O-CB 3.3Å; L398-G400 VanDerWaalsContact C-N 3.3Å; L398-G400 PolarHBondContact O-N 3.43Å
399E77.9Confident61.4Low39 Ų3986.1 Ų86.118%0.18249%0.49CS..G310 helixtrans-80.6-3.6178.5-53.891.6167.700114.9P179 L181 K305 R309 D397P179-E399 HydrophobicContact CG-CB 4.04Å; P179-E399 HydrophobicContact CG-CG 4.42Å; L181-E399 HydrophobicContact CD1-CG 3.98Å; L181-E399 HydrophobicContact CG-CG 3.74Å; L181-E399 PolarHBondContact N-OE1 2.8Å; K305-E399 IonicContact NZ-OE2 2.67Å; K305-E399 PolarHBondContact NZ-OE2 2.77Å; R309-E399 IonicContact CZ-OE1 2.62Å; R309-E399 VanDerWaalsContact NH2-CD 3.3Å; R309-E399 IonicContact NH2-OE1 3.67Å; R309-E399 PolarHBondContact NH2-OE1 2.65Å; R309-E399 IonicContact NH2-OE2 3.39Å; D397-E399 PolarHBondContact O-N 3.1Å
400G60.7Low59Low67 Ų6788.4 Ų88.469%0.69150%0.498SS*.G310 helixtrans-99.5-7.3177.600000114.3D397 L398D397-G400 PolarHBondContact O-N 2.98Å; L398-G400 VanDerWaalsContact C-N 3.3Å; L398-G400 PolarHBondContact O-N 3.43Å
401E53.5Low56.5Low114 Ų11490.1 Ų90.153%0.53351%0.506SS..SBendtrans-82.9122.5172.4-64.4-165.5166.100109.1
402E37.2Very low53.8Low178 Ų17891 Ų9183%0.83252%0.518SS*.PPolyproline II helixtrans-53.1130.5171.6-75-73143.200108.9G404E402-G404 PolarHBondContact O-N 3.11Å
403P37.7Very low51.7Low93 Ų9394.5 Ų94.560%0.60456%0.556SS**PPolyproline II helixtrans-58.3116178.322.7-30.1000108.1
404G32.3Very low48.9Very low51 Ų5198.4 Ų98.453%0.52658%0.579SS.*PPolyproline II helixtrans-52.7157.4170.400000110.2E402 G406E402-G404 PolarHBondContact O-N 3.11Å; G404-G406 WeakPolarHBondContact O-CA 3.42Å; G404-G406 PolarHBondContact O-N 3.18Å
405P31.3Very low46.5Very low153 Ų15399.6 Ų99.699%0.99459%0.591SS**SBendtrans-64.286.8-176.126.9-32.9000109.7
406G35.1Very low44.2Very low60 Ų60106.3 Ų106.362%0.61963%0.627SS**SBendtrans-165.739.9-165.700000109.4G404G404-G406 WeakPolarHBondContact O-CA 3.42Å; G404-G406 PolarHBondContact O-N 3.18Å
407V29.7Very low41.5Very low111 Ų111114.9 Ų114.967%0.67367%0.667SS**  trans48.184154.2-166.80000114.1K409V407-K409 HydrophobicContact CG1-CB 4.29Å; V407-K409 HydrophobicContact CG1-CD 4.5Å; V407-K409 HydrophobicContact CG1-CG 3.35Å; V407-K409 PolarHBondContact O-N 3.37Å
408C34.8Very low39Very low106 Ų106120.7 Ų120.772%0.71669%0.693SS**  trans-57.898.5138.6-65.50000106.1E410C408-E410 VanDerWaalsContact C-N 3.3Å; C408-E410 PolarHBondContact O-N 3.36Å
409K28.1Very low36.4Very low169 Ų169129.9 Ų129.974%0.73573%0.725SS**  trans-67.9103.4162.8-72.4-166.9-179.71770104.8V407 E411V407-K409 HydrophobicContact CG1-CB 4.29Å; V407-K409 HydrophobicContact CG1-CD 4.5Å; V407-K409 HydrophobicContact CG1-CG 3.35Å; V407-K409 PolarHBondContact O-N 3.37Å; K409-E411 PolarHBondContact O-N 3Å
410E30.8Very low34.3Very low176 Ų176134.1 Ų134.182%0.82275%0.749SS**  trans-52.6104.8144.5-77.3-177.4146.500105.4C408 T412C408-E410 VanDerWaalsContact C-N 3.3Å; C408-E410 PolarHBondContact O-N 3.36Å; E410-T412 PolarHBondContact O-N 3.49Å
411E29Very low33.1Very low173 Ų173140.4 Ų140.481%0.80875%0.752SS**  trans-70.185.4165.3-70.9-166.8165.200106.9K409 G413K409-E411 PolarHBondContact O-N 3Å; E411-G413 PolarHBondContact O-N 2.93Å
412T27.4Very low32.4Very low120 Ų120143.3 Ų143.374%0.73677%0.766SS**  trans-52122.3150.443.60000107.2E410 T414E410-T412 PolarHBondContact O-N 3.49Å; T412-T414 PolarHBondContact O-N 3.37Å
413G37Very low32.6Very low80 Ų80137.1 Ų137.183%0.82575%0.75SS**  trans-42.3123.3-170.400000114.3E411E411-G413 PolarHBondContact O-N 2.93Å
414T23.7Very low32.8Very low127 Ų127136.9 Ų136.978%0.77976%0.755SS**  trans-117.2117149380000106.7T412T412-T414 PolarHBondContact O-N 3.37Å
415E34.1Very low33.8Very low182 Ų182136.1 Ų136.185%0.8574%0.738SS**  trans-51.8143.8166-63.2175.9150.300109.7
416D35Very low35.1Very low150 Ų150136.9 Ų136.980%0.80273%0.728SS**  trans61.177.8162.1-61-27.7000117.5
417E28.6Very low36.7Very low182 Ų182139 Ų13985%0.8573%0.731SS**  -151.574.8126.3-70.9-157.7167.500108.3R419E417-R419 PolarHBondContact O-N 2.84Å
418E31Very low39Very low175 Ų175136.3 Ų136.382%0.81872%0.716SS**  trans-57.396.3152.6-85.2-171.4157.800105.8D420E418-D420 PolarHBondContact O-N 3.48Å
419R29.5Very low41.4Very low221 Ų221136.5 Ų136.583%0.83472%0.716SS**  trans-57.699.1161.6-120.1-179-159.1-145.94.4105.4E417 R421E417-R419 PolarHBondContact O-N 2.84Å; R419-R421 PolarHBondContact O-N 3.19Å
420D33.2Very low44.4Very low129 Ų129132 Ų13269%0.6970%0.702SS**  trans-50.480.2160.4-102.6-30.4000107.8E418 E422E418-D420 PolarHBondContact O-N 3.48Å; D420-E422 HydrophobicContact CB-CG 4.46Å; D420-E422 PolarHBondContact O-N 3.41Å; D420-E422 VanDerWaalsContact O-N 3.17Å
421R37.3Very low47.2Very low198 Ų198128.6 Ų128.675%0.74769%0.685SS**  trans-73.893144.2-78.5-169.1-172.4-173.53.5103.6R419 G423R419-R421 PolarHBondContact O-N 3.19Å; R421-G423 PolarHBondContact O-N 2.91Å
422E37.9Very low50.1Low175 Ų175122.5 Ų122.582%0.81866%0.664SS**  trans-53.975.4165.7-70-179.7139.500109.6D420 A424D420-E422 HydrophobicContact CB-CG 4.46Å; D420-E422 PolarHBondContact O-N 3.41Å; D420-E422 VanDerWaalsContact O-N 3.17Å; E422-A424 PolarHBondContact O-N 3.4Å
423G41.1Very low53.1Low48 Ų48119.8 Ų119.850%0.49565%0.645SS.*  trans-77.496156.100000105.7R421 F425R421-G423 PolarHBondContact O-N 2.91Å; G423-F425 PolarHBondContact O-N 2.81Å
424A42.7Very low55.7Low88 Ų88117.6 Ų117.673%0.72762%0.619SS**  trans-45.2130.7166.500000108.3E422 E426E422-A424 PolarHBondContact O-N 3.4Å; A424-E426 PolarHBondContact O-N 3.07Å
425F52.4Low58.9Low36 Ų36115.1 Ų115.116%0.15860%0.601CS.*  trans-64.4106.2179.4-153.9-104.6000107.4M101 H104 R221 F224 G423 P427M101-F425 HydrophobicContact CG-CZ 3.95Å; H104-F425 AromaticContact CD2-CD1 3.84Å; R221-F425 HydrophobicContact CB-CD2 4.49Å; R221-F425 HydrophobicContact CB-CE2 4.01Å; R221-F425 HydrophobicContact CG-CE2 4.17Å; F224-F425 HydrophobicContact CB-CE1 3.75Å; F224-F425 HydrophobicContact CB-CE2 4.41Å; F224-F425 HydrophobicContact CB-CZ 3.48Å; F224-F425 VanDerWaalsContact CB-CZ 3.48Å; F224-F425 HydrophobicContact CD1-CD1 4.09Å; F224-F425 AromaticContact CD1-CE1 3.29Å; F224-F425 HydrophobicContact CD1-CE1 3.29Å; F224-F425 AromaticContact CD1-CZ 3.97Å; F224-F425 HydrophobicContact CD1-CZ 3.97Å; F224-F425 AromaticContact CD2-CE1 3.27Å; F224-F425 HydrophobicContact CD2-CE1 3.27Å; F224-F425 AromaticContact CD2-CZ 3.3Å; F224-F425 HydrophobicContact CD2-CZ 3.3Å; F224-F425 HydrophobicContact CE1-CD1 4.24Å; F224-F425 AromaticContact CE1-CE1 3.55Å; F224-F425 HydrophobicContact CE1-CE1 3.55Å; F224-F425 AromaticContact CE2-CE1 3.58Å; F224-F425 HydrophobicContact CE2-CE1 3.58Å; F224-F425 AromaticContact CE2-CZ 3.97Å; F224-F425 HydrophobicContact CE2-CZ 3.97Å; F224-F425 HydrophobicContact CG-CD1 4.27Å; F224-F425 AromaticContact CG-CE1 3.13Å; F224-F425 HydrophobicContact CG-CE1 3.13Å; F224-F425 AromaticContact CG-CZ 3.31Å; F224-F425 HydrophobicContact CG-CZ 3.31Å; F224-F425 AromaticContact CZ-CE1 3.71Å; F224-F425 HydrophobicContact CZ-CE1 3.71Å; G423-F425 PolarHBondContact O-N 2.81Å; F425-P427 WeakPolarHBondContact O-CD 3.28Å
426E59Low61.7Low168 Ų168113.3 Ų113.379%0.78559%0.586SS**PPolyproline II helixtrans-68.2124.1179.8-73.7-174.117300108.6A424A424-E426 PolarHBondContact O-N 3.07Å
427P67.9Low64.5Low106 Ų106109 Ų10969%0.68857%0.571SS**PPolyproline II helixtrans-61.9149.8176.127-33.5000109.6F425F425-P427 WeakPolarHBondContact O-CD 3.28Å
428P78.6Confident67.6Low53 Ų53101.1 Ų101.134%0.34454%0.535SS..PPolyproline II helixtrans-59.3144.3178.725.6-35000109.4F224 T430F224-P428 HydrophobicContact CE1-CG 4.26Å; P428-T430 PolarHBondContact O-N 2.87Å
429P86.1Confident70.4Confident110 Ų11094.5 Ų94.571%0.71451%0.514SS*.PPolyproline II helixtrans-59.3138.7-17823.9-33.3000110.8D433P429-D433 HydrophobicContact CB-CB 4.12Å
430T89.3Confident73.5Confident74 Ų7488.8 Ų88.845%0.45450%0.504SS..PPolyproline II helixtrans-79.1164.5175.669.60000111P428 A432 D433 A434P428-T430 PolarHBondContact O-N 2.87Å; T430-A432 PolarHBondContact O-N 3.35Å; T430-A432 PolarHBondContact OG1-N 3.09Å; T430-D433 VanDerWaalsContact CB-OD2 3.31Å; T430-D433 WeakPolarHBondContact CB-OD2 3.44Å; T430-D433 WeakPolarHBondContact CG2-OD2 3.22Å; T430-D433 PolarHBondContact N-OD2 2.76Å; T430-D433 WeakPolarHBondContact O-CB 3.39Å; T430-D433 PolarHBondContact O-N 2.64Å; T430-D433 VanDerWaalsContact OG1-CG 3.28Å; T430-D433 PolarHBondContact OG1-N 3.28Å; T430-D433 PolarHBondContact OG1-OD2 3.05Å; T430-A434 PolarHBondContact O-N 3.18Å; T430-A434 VanDerWaalsContact O-N 3.11Å
431K90.6Very high76.2Confident105 Ų10586.2 Ų86.246%0.45749%0.489SS..Hα-helixtrans-53.7-37.7170.8-69.3179.5167.7-169.60112A434 L435 C469 L471K431-A434 PolarHBondContact O-N 3.33Å; K431-L435 WeakPolarHBondContact O-CG 3.48Å; K431-L435 PolarHBondContact O-N 2.75Å; K431-C469 HydrophobicContact CB-CB 4.31Å; K431-C469 HydrophobicContact CD-CB 4.33Å; K431-C469 WeakPolarHBondContact CD-O 3.48Å; K431-C469 WeakPolarHBondContact CE-O 3.23Å; K431-C469 HydrophobicContact CG-CB 4.38Å; K431-C469 PolarHBondContact NZ-O 3Å; K431-L471 PolarHBondContact NZ-OXT 2.64Å
432A89.2Confident78.8Confident46 Ų4680.8 Ų80.838%0.3847%0.469SS..Hα-helixtrans-68.9-34.917800000112.4T430 R436T430-A432 PolarHBondContact O-N 3.35Å; T430-A432 PolarHBondContact OG1-N 3.09Å; A432-R436 WeakPolarHBondContact O-CB 3.31Å; A432-R436 WeakPolarHBondContact O-CG 3.35Å; A432-R436 PolarHBondContact O-N 2.75Å
433D91.5Very high81.4Confident62 Ų6279.9 Ų79.933%0.33246%0.458SS..Hα-helixtrans-64-43173.4-63.4-53.8000111.3P429 T430 R436 A437P429-D433 HydrophobicContact CB-CB 4.12Å; T430-D433 VanDerWaalsContact CB-OD2 3.31Å; T430-D433 WeakPolarHBondContact CB-OD2 3.44Å; T430-D433 WeakPolarHBondContact CG2-OD2 3.22Å; T430-D433 PolarHBondContact N-OD2 2.76Å; T430-D433 WeakPolarHBondContact O-CB 3.39Å; T430-D433 PolarHBondContact O-N 2.64Å; T430-D433 VanDerWaalsContact OG1-CG 3.28Å; T430-D433 PolarHBondContact OG1-N 3.28Å; T430-D433 PolarHBondContact OG1-OD2 3.05Å; D433-R436 PolarHBondContact O-N 3.11Å; D433-R436 IonicContact OD1-CZ 3.75Å; D433-R436 IonicContact OD1-NE 3.41Å; D433-R436 IonicContact OD1-NH2 3.19Å; D433-R436 PolarHBondContact OD1-NH2 3.39Å; D433-A437 WeakPolarHBondContact O-CB 3.39Å; D433-A437 PolarHBondContact O-N 3.48Å
434A91.4Very high83.7Confident34 Ų3484.3 Ų84.328%0.28146%0.46SS..Hα-helixtrans-60.9-47.8178.800000112.1T430 K431 R436 A437 L438 V465T430-A434 PolarHBondContact O-N 3.18Å; T430-A434 VanDerWaalsContact O-N 3.11Å; K431-A434 PolarHBondContact O-N 3.33Å; A434-R436 PolarHBondContact O-N 3.3Å; A434-A437 WeakPolarHBondContact O-CB 3.34Å; A434-A437 PolarHBondContact O-N 2.99Å; A434-L438 PolarHBondContact O-N 3.17Å; A434-V465 HydrophobicContact CB-CG1 4.21Å
435L91.3Very high85.9Confident75 Ų7581.3 Ų81.339%0.39343%0.43SS..Hα-helixtrans-65.2-38.3177.5-64.9175.8000112.2K431 A437 L438 G439 E466 C469K431-L435 WeakPolarHBondContact O-CG 3.48Å; K431-L435 PolarHBondContact O-N 2.75Å; L435-A437 VanDerWaalsContact C-N 3.35Å; L435-L438 PolarHBondContact O-N 3.25Å; L435-G439 PolarHBondContact O-N 3.27Å; L435-G439 VanDerWaalsContact O-N 3.08Å; L435-E466 HydrophobicContact CD2-CG 3.99Å; L435-C469 HydrophobicContact CD1-CB 4.41Å
436R92.9Very high87.6Confident145 Ų14584 Ų8455%0.54744%0.444SS..Hα-helixtrans-61.8-42.8172.6-79.9-170.7-67.7-92.16.3111.8A432 D433 A434 L438 G439 T440A432-R436 WeakPolarHBondContact O-CB 3.31Å; A432-R436 WeakPolarHBondContact O-CG 3.35Å; A432-R436 PolarHBondContact O-N 2.75Å; D433-R436 PolarHBondContact O-N 3.11Å; D433-R436 IonicContact OD1-CZ 3.75Å; D433-R436 IonicContact OD1-NE 3.41Å; D433-R436 IonicContact OD1-NH2 3.19Å; D433-R436 PolarHBondContact OD1-NH2 3.39Å; A434-R436 PolarHBondContact O-N 3.3Å; R436-L438 VanDerWaalsContact C-N 3.34Å; R436-L438 PolarHBondContact O-N 2.68Å; R436-G439 PolarHBondContact O-N 3Å; R436-T440 PolarHBondContact O-N 3.49Å; R436-T440 PolarHBondContact O-OG1 2.92Å; R436-T440 VanDerWaalsContact O-OG1 3.12Å
437A93Very high89.1Confident58 Ų5879.9 Ų79.948%0.47943%0.432SS..Hα-helixtrans-62.9-40.517900000112D433 A434 L435 T440 L441D433-A437 WeakPolarHBondContact O-CB 3.39Å; D433-A437 PolarHBondContact O-N 3.48Å; A434-A437 WeakPolarHBondContact O-CB 3.34Å; A434-A437 PolarHBondContact O-N 2.99Å; L435-A437 VanDerWaalsContact C-N 3.35Å; A437-T440 PolarHBondContact O-N 2.92Å; A437-L441 WeakPolarHBondContact O-CB 3.41Å; A437-L441 PolarHBondContact O-N 3.21Å
438L92.9Very high89.9Confident17 Ų1778.8 Ų78.89%0.08942%0.421CS..Hα-helixtrans-61.8-45.3173.4-72173.2000112A434 L435 R436 T440 L441 R442 F458 E462 V465A434-L438 PolarHBondContact O-N 3.17Å; L435-L438 PolarHBondContact O-N 3.25Å; R436-L438 VanDerWaalsContact C-N 3.34Å; R436-L438 PolarHBondContact O-N 2.68Å; L438-T440 VanDerWaalsContact C-N 3.34Å; L438-T440 PolarHBondContact O-N 3.26Å; L438-L441 PolarHBondContact O-N 3.48Å; L438-R442 WeakPolarHBondContact O-CB 3.07Å; L438-R442 PolarHBondContact O-N 2.8Å; L438-F458 HydrophobicContact CB-CZ 4.43Å; L438-F458 HydrophobicContact CD2-CE2 3.88Å; L438-F458 HydrophobicContact CD2-CZ 4.29Å; L438-F458 WeakPolarHBondContact O-CZ 3.5Å; L438-E462 HydrophobicContact CD1-CB 4.4Å; L438-E462 HydrophobicContact CD1-CG 4.23Å; L438-V465 HydrophobicContact CD1-CB 3.72Å; L438-V465 HydrophobicContact CD1-CG1 3.57Å; L438-V465 HydrophobicContact CD1-CG2 4.27Å
439G91.3Very high89.2Confident37 Ų3781.8 Ų81.838%0.38144%0.443SS..Hα-helixtrans-59-43.8175.400000112.8L435 R436 R443L435-G439 PolarHBondContact O-N 3.27Å; L435-G439 VanDerWaalsContact O-N 3.08Å; R436-G439 PolarHBondContact O-N 3Å; G439-R443 WeakPolarHBondContact O-CB 3.21Å; G439-R443 PolarHBondContact O-N 3.32Å
440T93.3Very high88.6Confident101 Ų10178.4 Ų78.462%0.6242%0.42SS*.Hα-helixtrans-62.1-45.1175.1-60.20000111.7R436 A437 L438 R443 W444R436-T440 PolarHBondContact O-N 3.49Å; R436-T440 PolarHBondContact O-OG1 2.92Å; R436-T440 VanDerWaalsContact O-OG1 3.12Å; A437-T440 PolarHBondContact O-N 2.92Å; L438-T440 VanDerWaalsContact C-N 3.34Å; L438-T440 PolarHBondContact O-N 3.26Å; T440-R443 PolarHBondContact O-N 3.38Å; T440-W444 PolarHBondContact O-N 3.32Å
441L91.4Very high88.3Confident74 Ų7477.9 Ų77.939%0.38742%0.419SS..Hα-helixtrans-66.2-42.6-179.6-175.659.8000111.8A437 L438 R443 W444 F445 F458A437-L441 WeakPolarHBondContact O-CB 3.41Å; A437-L441 PolarHBondContact O-N 3.21Å; L438-L441 PolarHBondContact O-N 3.48Å; L441-R443 VanDerWaalsContact C-N 3.34Å; L441-R443 PolarHBondContact O-N 2.91Å; L441-W444 WeakPolarHBondContact O-CB 3.39Å; L441-W444 PolarHBondContact O-N 2.77Å; L441-F445 HydrophobicContact CD1-CE1 3.99Å; L441-F445 HydrophobicContact CD1-CE2 4.19Å; L441-F445 HydrophobicContact CD1-CZ 3.76Å; L441-F445 HydrophobicContact CD2-CE2 4.19Å; L441-F445 HydrophobicContact CD2-CZ 4.22Å; L441-F445 HydrophobicContact CG-CD2 4.36Å; L441-F445 HydrophobicContact CG-CE2 3.83Å; L441-F445 HydrophobicContact CG-CZ 3.9Å; L441-F445 PolarHBondContact O-N 2.67Å; L441-F458 HydrophobicContact CB-CE2 4.13Å; L441-F458 HydrophobicContact CD2-CD2 4.01Å; L441-F458 HydrophobicContact CD2-CE2 3.92Å; L441-F458 HydrophobicContact CG-CD2 4.29Å; L441-F458 HydrophobicContact CG-CE2 4.04Å
442R91.9Very high88Confident85 Ų8577.6 Ų77.632%0.32143%0.429SS..Hα-helixtrans-55.9-50.1173.7-168.6-168-60.6-177.11110.8L438 W444 F445 E446 F458 E462L438-R442 WeakPolarHBondContact O-CB 3.07Å; L438-R442 PolarHBondContact O-N 2.8Å; R442-W444 VanDerWaalsContact C-N 3.27Å; R442-W444 PolarHBondContact O-N 3.36Å; R442-F445 PolarHBondContact O-N 3.45Å; R442-F445 VanDerWaalsContact O-N 3.13Å; R442-E446 WeakPolarHBondContact O-CG 3.21Å; R442-E446 PolarHBondContact O-N 3.26Å; R442-F458 HydrophobicContact CB-CE1 3.74Å; R442-F458 HydrophobicContact CB-CZ 3.64Å; R442-F458 HydrophobicContact CG-CE1 3.79Å; R442-F458 HydrophobicContact CG-CZ 4.23Å; R442-E462 IonicContact CZ-OE1 3.53Å; R442-E462 IonicContact CZ-OE2 3.47Å; R442-E462 IonicContact NE-OE1 3.55Å; R442-E462 PolarHBondContact NE-OE1 3.12Å; R442-E462 IonicContact NE-OE2 2.77Å; R442-E462 IonicContact NH2-OE1 2.69Å; R442-E462 PolarHBondContact NH2-OE1 3.49Å; R442-E462 IonicContact NH2-OE2 2.85Å; R442-E462 PolarHBondContact NH2-OE2 3.41Å
443R91.1Very high87.9Confident156 Ų15681.6 Ų81.659%0.58944%0.439SS*.Hα-helixtrans-60.6-39.1178.9-17656.6175.8170.92.8111.7G439 T440 L441 E446 C447G439-R443 WeakPolarHBondContact O-CB 3.21Å; G439-R443 PolarHBondContact O-N 3.32Å; T440-R443 PolarHBondContact O-N 3.38Å; L441-R443 VanDerWaalsContact C-N 3.34Å; L441-R443 PolarHBondContact O-N 2.91Å; R443-E446 WeakPolarHBondContact CD-OE2 3.49Å; R443-E446 IonicContact CZ-OE2 2.64Å; R443-E446 IonicContact NH1-OE2 3.25Å; R443-E446 PolarHBondContact NH1-OE2 3.3Å; R443-E446 PolarHBondContact O-N 3.36Å; R443-C447 PolarHBondContact O-N 3.19Å; R443-C447 VanDerWaalsContact O-N 3.13Å; R443-C447 PolarHBondContact O-SG 3.41Å
444W89.8Confident87.6Confident141 Ų14181.5 Ų81.553%0.53444%0.438SS..Hα-helixtrans-64.7-42176.1-172.991.1000111.8T440 L441 R442 C447 N448T440-W444 PolarHBondContact O-N 3.32Å; L441-W444 WeakPolarHBondContact O-CB 3.39Å; L441-W444 PolarHBondContact O-N 2.77Å; R442-W444 VanDerWaalsContact C-N 3.27Å; R442-W444 PolarHBondContact O-N 3.36Å; W444-C447 PolarHBondContact O-N 2.94Å; W444-N448 VanDerWaalsContact CE2-ND2 3.3Å; W444-N448 HydrophobicContact CH2-CB 4.39Å; W444-N448 HydrophobicContact CZ2-CB 4.47Å; W444-N448 HydrophobicContact CZ3-CB 4.49Å; W444-N448 PolarHBondContact NE1-ND2 2.98Å; W444-N448 PolarHBondContact O-N 3.4Å; W444-N448 VanDerWaalsContact O-N 3.13Å; W444-N448 PolarHBondContact O-ND2 3.13Å
445F89.2Confident87.4Confident24 Ų2481.6 Ų81.611%0.10543%0.433CS..Hα-helixtrans-61.6-43.7175-72.8-25.4000112.8L441 R442 C447 N448 S449 T450 L454 F455 F458L441-F445 HydrophobicContact CD1-CE1 3.99Å; L441-F445 HydrophobicContact CD1-CE2 4.19Å; L441-F445 HydrophobicContact CD1-CZ 3.76Å; L441-F445 HydrophobicContact CD2-CE2 4.19Å; L441-F445 HydrophobicContact CD2-CZ 4.22Å; L441-F445 HydrophobicContact CG-CD2 4.36Å; L441-F445 HydrophobicContact CG-CE2 3.83Å; L441-F445 HydrophobicContact CG-CZ 3.9Å; L441-F445 PolarHBondContact O-N 2.67Å; R442-F445 PolarHBondContact O-N 3.45Å; R442-F445 VanDerWaalsContact O-N 3.13Å; F445-C447 VanDerWaalsContact C-N 3.31Å; F445-C447 PolarHBondContact O-N 3.14Å; F445-N448 PolarHBondContact O-N 3.32Å; F445-S449 PolarHBondContact O-N 3.22Å; F445-T450 WeakPolarHBondContact CA-OG1 3.31Å; F445-T450 VanDerWaalsContact CB-OG1 3.26Å; F445-T450 WeakPolarHBondContact CB-OG1 3.49Å; F445-T450 HydrophobicContact CD1-CG2 4.11Å; F445-T450 PolarHBondContact O-OG1 3.47Å; F445-L454 HydrophobicContact CD1-CD2 3.95Å; F445-L454 HydrophobicContact CE1-CD2 3.66Å; F445-L454 HydrophobicContact CE2-CD2 4.38Å; F445-L454 HydrophobicContact CE2-CG 4.48Å; F445-L454 HydrophobicContact CG-CD2 4.5Å; F445-L454 HydrophobicContact CZ-CD2 3.89Å; F445-L454 HydrophobicContact CZ-CG 4.29Å; F445-F455 HydrophobicContact CB-CE1 3.83Å; F445-F455 HydrophobicContact CB-CE2 4.21Å; F445-F455 HydrophobicContact CB-CZ 3.55Å; F445-F458 HydrophobicContact CD2-CB 4.25Å; F445-F458 HydrophobicContact CD2-CD2 4.1Å; F445-F458 HydrophobicContact CD2-CG 4.05Å; F445-F458 HydrophobicContact CE2-CB 3.9Å; F445-F458 AromaticContact CE2-CD2 3.66Å; F445-F458 HydrophobicContact CE2-CD2 3.66Å; F445-F458 AromaticContact CE2-CG 3.88Å; F445-F458 HydrophobicContact CE2-CG 3.88Å
446E88.6Confident87.3Confident94 Ų9484.2 Ų84.244%0.43944%0.443SS..Hα-helixtrans-57.3-43.7175.3-69.4168.8-176.800111.9R442 R443 N448 F455R442-E446 WeakPolarHBondContact O-CG 3.21Å; R442-E446 PolarHBondContact O-N 3.26Å; R443-E446 WeakPolarHBondContact CD-OE2 3.49Å; R443-E446 IonicContact CZ-OE2 2.64Å; R443-E446 IonicContact NH1-OE2 3.25Å; R443-E446 PolarHBondContact NH1-OE2 3.3Å; R443-E446 PolarHBondContact O-N 3.36Å; E446-N448 PolarHBondContact O-N 3.38Å; E446-F455 HydrophobicContact CG-CZ 4.29Å
447C89.3Confident87.2Confident81 Ų8183.8 Ų83.855%0.54745%0.445SS..Hα-helixtrans-71.9-26-178.8-69.40000113.7R443 W444 F445R443-C447 PolarHBondContact O-N 3.19Å; R443-C447 VanDerWaalsContact O-N 3.13Å; R443-C447 PolarHBondContact O-SG 3.41Å; W444-C447 PolarHBondContact O-N 2.94Å; F445-C447 VanDerWaalsContact C-N 3.31Å; F445-C447 PolarHBondContact O-N 3.14Å
448N85.4Confident87.2Confident83 Ų8381.5 Ų81.544%0.44442%0.424SS..THydrogen-bonded Turntrans-105.414.7-172.7-70.2-84.9000114W444 F445 E446W444-N448 VanDerWaalsContact CE2-ND2 3.3Å; W444-N448 HydrophobicContact CH2-CB 4.39Å; W444-N448 HydrophobicContact CZ2-CB 4.47Å; W444-N448 HydrophobicContact CZ3-CB 4.49Å; W444-N448 PolarHBondContact NE1-ND2 2.98Å; W444-N448 PolarHBondContact O-N 3.4Å; W444-N448 VanDerWaalsContact O-N 3.13Å; W444-N448 PolarHBondContact O-ND2 3.13Å; F445-N448 PolarHBondContact O-N 3.32Å; E446-N448 PolarHBondContact O-N 3.38Å
449S63.9Low87.1Confident115 Ų11586 Ų8680%0.80444%0.441SS*.THydrogen-bonded Turntrans50.162.9174.7-59.80000113.1F445F445-S449 PolarHBondContact O-N 3.22Å
450T73.7Confident87.2Confident40 Ų4089.4 Ų89.425%0.24545%0.45CS..  trans-85.3155.7-177.717.40000113F445 L454F445-T450 WeakPolarHBondContact CA-OG1 3.31Å; F445-T450 VanDerWaalsContact CB-OG1 3.26Å; F445-T450 WeakPolarHBondContact CB-OG1 3.49Å; F445-T450 HydrophobicContact CD1-CG2 4.11Å; F445-T450 PolarHBondContact O-OG1 3.47Å; T450-L454 HydrophobicContact CG2-CD2 3.27Å
451S83Confident87.1Confident62 Ų6287.8 Ų87.843%0.43444%0.442SS..  trans-64.3148.7-177.961.70000111.7E453 L454 F455S451-E453 PolarHBondContact O-N 2.81Å; S451-L454 WeakPolarHBondContact O-CB 3.39Å; S451-L454 PolarHBondContact O-N 2.99Å; S451-F455 PolarHBondContact O-N 3.25Å
452P84.8Confident87.1Confident100 Ų10085.1 Ų85.165%0.64943%0.428SS*.Hα-helixtrans-53.9-39176.2-26.634.4000113.1L454 F455 E456P452-L454 PolarHBondContact O-N 3.17Å; P452-F455 WeakPolarHBondContact O-CB 3.36Å; P452-F455 PolarHBondContact O-N 3.26Å; P452-F455 VanDerWaalsContact O-N 3.1Å; P452-E456 PolarHBondContact O-N 3.27Å
453E87.2Confident87.1Confident129 Ų12987.6 Ų87.660%0.60344%0.443SS*.Hα-helixtrans-60.5-28.6176.6-61.9178.7-172.500113.9S451 K457S451-E453 PolarHBondContact O-N 2.81Å; E453-K457 PolarHBondContact O-N 2.65Å
454L85.1Confident87.2Confident60 Ų6084.4 Ų84.431%0.31444%0.435SS..Hα-helixtrans-76.6-37177-171.171000110.9F445 T450 S451 P452 K457 F458F445-L454 HydrophobicContact CD1-CD2 3.95Å; F445-L454 HydrophobicContact CE1-CD2 3.66Å; F445-L454 HydrophobicContact CE2-CD2 4.38Å; F445-L454 HydrophobicContact CE2-CG 4.48Å; F445-L454 HydrophobicContact CG-CD2 4.5Å; F445-L454 HydrophobicContact CZ-CD2 3.89Å; F445-L454 HydrophobicContact CZ-CG 4.29Å; T450-L454 HydrophobicContact CG2-CD2 3.27Å; S451-L454 WeakPolarHBondContact O-CB 3.39Å; S451-L454 PolarHBondContact O-N 2.99Å; P452-L454 PolarHBondContact O-N 3.17Å; L454-K457 PolarHBondContact O-N 2.8Å; L454-F458 WeakPolarHBondContact O-CB 3.46Å; L454-F458 PolarHBondContact O-N 2.94Å
455F87.4Confident87.2Confident37 Ų3779.3 Ų79.316%0.16242%0.419CS..Hα-helixtrans-64.3-40.8174.4-86.4-76.2000111.8F445 E446 S451 P452 K457 F458 Y459F445-F455 HydrophobicContact CB-CE1 3.83Å; F445-F455 HydrophobicContact CB-CE2 4.21Å; F445-F455 HydrophobicContact CB-CZ 3.55Å; E446-F455 HydrophobicContact CG-CZ 4.29Å; S451-F455 PolarHBondContact O-N 3.25Å; P452-F455 WeakPolarHBondContact O-CB 3.36Å; P452-F455 PolarHBondContact O-N 3.26Å; P452-F455 VanDerWaalsContact O-N 3.1Å; F455-K457 PolarHBondContact O-N 3.17Å; F455-F458 WeakPolarHBondContact O-CB 3.44Å; F455-F458 PolarHBondContact O-N 3.44Å; F455-F458 VanDerWaalsContact O-N 3.14Å; F455-Y459 HydrophobicContact CB-CD2 4.44Å; F455-Y459 HydrophobicContact CB-CE2 3.96Å; F455-Y459 HydrophobicContact CD1-CE2 4.25Å; F455-Y459 AromaticContact CD1-CZ 3.97Å; F455-Y459 WeakPolarHBondContact O-CD2 3.3Å; F455-Y459 VanDerWaalsContact O-CG 3.31Å; F455-Y459 PolarHBondContact O-N 3.39Å
456E88.4Confident87.3Confident129 Ų12982.4 Ų82.460%0.60343%0.434SS*.Hα-helixtrans-56.3-51.9174.3-70.9180168.700111.6P452 F458 Y459 D460P452-E456 PolarHBondContact O-N 3.27Å; E456-F458 PolarHBondContact O-N 3.21Å; E456-Y459 PolarHBondContact O-N 3.28Å; E456-Y459 VanDerWaalsContact O-N 3.13Å; E456-D460 PolarHBondContact O-N 2.71Å
457K90.9Very high87.4Confident137 Ų13783.8 Ų83.860%0.59644%0.435SS*.Hα-helixtrans-61.4-33.3176.5-70171.4-176.1161.70113.2E453 L454 F455 C461E453-K457 PolarHBondContact O-N 2.65Å; L454-K457 PolarHBondContact O-N 2.8Å; F455-K457 PolarHBondContact O-N 3.17Å; K457-C461 PolarHBondContact O-N 2.68Å
458F92Very high87.3Confident10 Ų1084.8 Ų84.84%0.04443%0.434CS..Hα-helixtrans-68.6-43.3175.9171-96.5000111.1L438 L441 R442 F445 L454 F455 E456 C461 E462L438-F458 HydrophobicContact CB-CZ 4.43Å; L438-F458 HydrophobicContact CD2-CE2 3.88Å; L438-F458 HydrophobicContact CD2-CZ 4.29Å; L438-F458 WeakPolarHBondContact O-CZ 3.5Å; L441-F458 HydrophobicContact CB-CE2 4.13Å; L441-F458 HydrophobicContact CD2-CD2 4.01Å; L441-F458 HydrophobicContact CD2-CE2 3.92Å; L441-F458 HydrophobicContact CG-CD2 4.29Å; L441-F458 HydrophobicContact CG-CE2 4.04Å; R442-F458 HydrophobicContact CB-CE1 3.74Å; R442-F458 HydrophobicContact CB-CZ 3.64Å; R442-F458 HydrophobicContact CG-CE1 3.79Å; R442-F458 HydrophobicContact CG-CZ 4.23Å; F445-F458 HydrophobicContact CD2-CB 4.25Å; F445-F458 HydrophobicContact CD2-CD2 4.1Å; F445-F458 HydrophobicContact CD2-CG 4.05Å; F445-F458 HydrophobicContact CE2-CB 3.9Å; F445-F458 AromaticContact CE2-CD2 3.66Å; F445-F458 HydrophobicContact CE2-CD2 3.66Å; F445-F458 AromaticContact CE2-CG 3.88Å; F445-F458 HydrophobicContact CE2-CG 3.88Å; L454-F458 WeakPolarHBondContact O-CB 3.46Å; L454-F458 PolarHBondContact O-N 2.94Å; F455-F458 WeakPolarHBondContact O-CB 3.44Å; F455-F458 PolarHBondContact O-N 3.44Å; F455-F458 VanDerWaalsContact O-N 3.14Å; E456-F458 PolarHBondContact O-N 3.21Å; F458-C461 WeakPolarHBondContact O-CB 3.35Å; F458-C461 PolarHBondContact O-N 2.78Å; F458-E462 HydrophobicContact CE1-CB 4.46Å; F458-E462 WeakPolarHBondContact CE1-OE1 3.4Å; F458-E462 WeakPolarHBondContact CZ-OE1 3.25Å; F458-E462 WeakPolarHBondContact O-CB 3.44Å; F458-E462 PolarHBondContact O-N 2.8Å
459Y92Very high87.4Confident111 Ų11181.8 Ų81.844%0.43542%0.42SS..Hα-helixtrans-65.9-39177.9-64.9-45000112.4F455 E456 C461 E462 E463F455-Y459 HydrophobicContact CB-CD2 4.44Å; F455-Y459 HydrophobicContact CB-CE2 3.96Å; F455-Y459 HydrophobicContact CD1-CE2 4.25Å; F455-Y459 AromaticContact CD1-CZ 3.97Å; F455-Y459 WeakPolarHBondContact O-CD2 3.3Å; F455-Y459 VanDerWaalsContact O-CG 3.31Å; F455-Y459 PolarHBondContact O-N 3.39Å; E456-Y459 PolarHBondContact O-N 3.28Å; E456-Y459 VanDerWaalsContact O-N 3.13Å; Y459-C461 VanDerWaalsContact C-N 3.26Å; Y459-C461 PolarHBondContact O-N 3.28Å; Y459-E462 PolarHBondContact O-N 3.39Å; Y459-E463 PolarHBondContact O-N 3.34Å
460D92.4Very high87.9Confident109 Ų10981.9 Ų81.958%0.58342%0.419SS*.Hα-helixtrans-58.2-40.8172.7-65.6-23000111.7E456 E464E456-D460 PolarHBondContact O-N 2.71Å; D460-E464 PolarHBondContact O-N 2.99Å
461C92.1Very high87Confident66 Ų6687.6 Ų87.645%0.44645%0.447SS..Hα-helixtrans-68.9-42.6176.9-175.40000111.7K457 F458 Y459 E464 V465K457-C461 PolarHBondContact O-N 2.68Å; F458-C461 WeakPolarHBondContact O-CB 3.35Å; F458-C461 PolarHBondContact O-N 2.78Å; Y459-C461 VanDerWaalsContact C-N 3.26Å; Y459-C461 PolarHBondContact O-N 3.28Å; C461-E464 PolarHBondContact O-N 3.37Å; C461-V465 WeakPolarHBondContact O-CG2 3.18Å; C461-V465 PolarHBondContact O-N 2.76Å
462E91.4Very high87.2Confident19 Ų1988.9 Ų88.99%0.08945%0.448CS..Hα-helixtrans-60.5-47.6179178.4163.3-96.800111.7L438 R442 F458 Y459 E464 V465 E466L438-E462 HydrophobicContact CD1-CB 4.4Å; L438-E462 HydrophobicContact CD1-CG 4.23Å; R442-E462 IonicContact CZ-OE1 3.53Å; R442-E462 IonicContact CZ-OE2 3.47Å; R442-E462 IonicContact NE-OE1 3.55Å; R442-E462 PolarHBondContact NE-OE1 3.12Å; R442-E462 IonicContact NE-OE2 2.77Å; R442-E462 IonicContact NH2-OE1 2.69Å; R442-E462 PolarHBondContact NH2-OE1 3.49Å; R442-E462 IonicContact NH2-OE2 2.85Å; R442-E462 PolarHBondContact NH2-OE2 3.41Å; F458-E462 HydrophobicContact CE1-CB 4.46Å; F458-E462 WeakPolarHBondContact CE1-OE1 3.4Å; F458-E462 WeakPolarHBondContact CZ-OE1 3.25Å; F458-E462 WeakPolarHBondContact O-CB 3.44Å; F458-E462 PolarHBondContact O-N 2.8Å; Y459-E462 PolarHBondContact O-N 3.39Å; E462-E464 VanDerWaalsContact C-N 3.34Å; E462-E464 PolarHBondContact O-N 3.22Å; E462-V465 PolarHBondContact O-N 3.34Å; E462-E466 WeakPolarHBondContact O-CG 3.01Å; E462-E466 PolarHBondContact O-N 2.91Å
463E92.2Very high87.3Confident137 Ų13788.3 Ų88.364%0.6444%0.437SS*.Hα-helixtrans-57.8-44.9177.4-175.3178.8-179.800111.9Y459 V465 E466 R467Y459-E463 PolarHBondContact O-N 3.34Å; E463-V465 PolarHBondContact O-N 3.12Å; E463-E466 PolarHBondContact O-N 2.97Å; E463-R467 WeakPolarHBondContact O-CB 3.41Å; E463-R467 PolarHBondContact O-N 3.03Å
464E91.8Very high87.3Confident88 Ų8886 Ų8641%0.41143%0.428SS..Hα-helixtrans-68-36.7-179.3-176.559.3-168.700112.2D460 C461 E462 R467 L468D460-E464 PolarHBondContact O-N 2.99Å; C461-E464 PolarHBondContact O-N 3.37Å; E462-E464 VanDerWaalsContact C-N 3.34Å; E462-E464 PolarHBondContact O-N 3.22Å; E464-R467 IonicContact OE1-CZ 3.52Å; E464-R467 IonicContact OE1-NE 2.94Å; E464-R467 IonicContact OE1-NH2 3.53Å; E464-R467 PolarHBondContact OE1-NH2 3.24Å; E464-R467 IonicContact OE2-CZ 3.24Å; E464-R467 IonicContact OE2-NE 3.26Å; E464-R467 PolarHBondContact OE2-NE 3.27Å; E464-R467 IonicContact OE2-NH2 2.7Å; E464-R467 PolarHBondContact OE2-NH2 2.95Å; E464-L468 WeakPolarHBondContact O-CG 3.42Å; E464-L468 PolarHBondContact O-N 2.96Å; E464-L468 VanDerWaalsContact O-N 3.14Å
465V90.8Very high87.4Confident35 Ų3587.5 Ų87.521%0.21244%0.435CS..Hα-helixtrans-69.8-41.4175.6172.60000111.3A434 L438 C461 E462 E463 R467 L468 C469A434-V465 HydrophobicContact CB-CG1 4.21Å; L438-V465 HydrophobicContact CD1-CB 3.72Å; L438-V465 HydrophobicContact CD1-CG1 3.57Å; L438-V465 HydrophobicContact CD1-CG2 4.27Å; C461-V465 WeakPolarHBondContact O-CG2 3.18Å; C461-V465 PolarHBondContact O-N 2.76Å; E462-V465 PolarHBondContact O-N 3.34Å; E463-V465 PolarHBondContact O-N 3.12Å; V465-R467 VanDerWaalsContact C-N 3.32Å; V465-R467 PolarHBondContact O-N 3.41Å; V465-L468 PolarHBondContact O-N 2.99Å; V465-C469 PolarHBondContact O-N 3.21Å; V465-C469 PolarHBondContact O-SG 3.35Å
466E90.4Very high87.4Confident88 Ų8890.7 Ų90.741%0.41145%0.452SS..Hα-helixtrans-59.3-45175-75.2-178.717100110.9L435 E462 E463 L468 C469 C470L435-E466 HydrophobicContact CD2-CG 3.99Å; E462-E466 WeakPolarHBondContact O-CG 3.01Å; E462-E466 PolarHBondContact O-N 2.91Å; E463-E466 PolarHBondContact O-N 2.97Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 2.96Å; E466-C469 CarbonylContact O-C 3.49Å; E466-C469 WeakPolarHBondContact O-CA 3.5Å; E466-C469 PolarHBondContact O-N 2.86Å; E466-C470 WeakPolarHBondContact O-CB 3.48Å; E466-C470 PolarHBondContact O-N 2.82Å; E466-C470 PolarHBondContact O-SG 2.85Å; E466-C470 VanDerWaalsContact O-SG 3.33Å
467R90.6Very high87.4Confident124 Ų12488.1 Ų88.147%0.46844%0.442SS..Hα-helixtrans-56.7-43.5175.1-167.5-176.473.4821.3112.3E463 E464 V465 C469 L471E463-R467 WeakPolarHBondContact O-CB 3.41Å; E463-R467 PolarHBondContact O-N 3.03Å; E464-R467 IonicContact OE1-CZ 3.52Å; E464-R467 IonicContact OE1-NE 2.94Å; E464-R467 IonicContact OE1-NH2 3.53Å; E464-R467 PolarHBondContact OE1-NH2 3.24Å; E464-R467 IonicContact OE2-CZ 3.24Å; E464-R467 IonicContact OE2-NE 3.26Å; E464-R467 PolarHBondContact OE2-NE 3.27Å; E464-R467 IonicContact OE2-NH2 2.7Å; E464-R467 PolarHBondContact OE2-NH2 2.95Å; V465-R467 VanDerWaalsContact C-N 3.32Å; V465-R467 PolarHBondContact O-N 3.41Å; R467-C469 VanDerWaalsContact C-N 3.29Å; R467-C469 PolarHBondContact O-N 3.04Å; R467-L471 WeakPolarHBondContact O-CG 3.32Å; R467-L471 PolarHBondContact O-N 3.12Å
468L87.3Confident87.1Confident101 Ų10184.6 Ų84.653%0.52943%0.431SS..Hα-helixtrans-69.4-24.8176.2-69.1172.2000113.2E464 V465 E466E464-L468 WeakPolarHBondContact O-CG 3.42Å; E464-L468 PolarHBondContact O-N 2.96Å; E464-L468 VanDerWaalsContact O-N 3.14Å; V465-L468 PolarHBondContact O-N 2.99Å; E466-L468 VanDerWaalsContact C-N 3.32Å; E466-L468 PolarHBondContact O-N 2.96Å
469C86.9Confident86.7Confident21 Ų2190.4 Ų90.414%0.14246%0.461CS..Hα-helixtrans-83.9-31.9177.4-68.20000112.8K431 L435 V465 E466 R467K431-C469 HydrophobicContact CB-CB 4.31Å; K431-C469 HydrophobicContact CD-CB 4.33Å; K431-C469 WeakPolarHBondContact CD-O 3.48Å; K431-C469 WeakPolarHBondContact CE-O 3.23Å; K431-C469 HydrophobicContact CG-CB 4.38Å; K431-C469 PolarHBondContact NZ-O 3Å; L435-C469 HydrophobicContact CD1-CB 4.41Å; V465-C469 PolarHBondContact O-N 3.21Å; V465-C469 PolarHBondContact O-SG 3.35Å; E466-C469 CarbonylContact O-C 3.49Å; E466-C469 WeakPolarHBondContact O-CA 3.5Å; E466-C469 PolarHBondContact O-N 2.86Å; R467-C469 VanDerWaalsContact C-N 3.29Å; R467-C469 PolarHBondContact O-N 3.04Å
470C75.4Confident86.3Confident117 Ų11788.7 Ų88.779%0.79146%0.463SS*.Hα-helixtrans-82.5-17.9-178-68.50000115E466E466-C470 WeakPolarHBondContact O-CB 3.48Å; E466-C470 PolarHBondContact O-N 2.82Å; E466-C470 PolarHBondContact O-SG 2.85Å; E466-C470 VanDerWaalsContact O-SG 3.33Å
471L54Low85.7Confident159 Ų15986.8 Ų86.883%0.83245%0.452SS*.  trans-85.20170-66.8168.8000111.4K431 R467K431-L471 PolarHBondContact NZ-OXT 2.64Å; R467-L471 WeakPolarHBondContact O-CG 3.32Å; R467-L471 PolarHBondContact O-N 3.12Å

Retrieved 471 of 471 residues in 88.8 ms (Link to these results)

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