A0A090HNM7_HUMAN Loading...

ERCC excision repair 5, endonuclease

AlphaFold DB , UniProt , Accession A0A090HNM7, Species HUMAN (Homo sapiens, Human), Gene ERCC5, Length 1,018 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low58Low201 Ų20188.9 Ų88.999%0.9944%0.443SS*.  0150.10-66.489.1170.400108.9
2N57.4Low57.9Low108 Ų10890.4 Ų90.458%0.57845%0.445SS*.  trans-77.5148.2171.8-158.1-13.4000109.6K4 Q5 A6N2-K4 PolarHBondContact O-N 3.45Å; N2-Q5 HydrophobicContact CB-CG 4.43Å; N2-Q5 VanDerWaalsContact N-OE1 3.11Å; N2-Q5 WeakPolarHBondContact O-CB 3.4Å; N2-Q5 PolarHBondContact O-N 3.04Å; N2-A6 PolarHBondContact O-N 3.37Å
3Q57.9Low57.8Low129 Ų12995.9 Ų95.960%0.60347%0.469SS*.Hα-helixtrans-61-32.3-175.1-161.4169.80.300111.7L7Q3-L7 PolarHBondContact O-N 3.15Å
4K60.7Low57.9Low64 Ų6494.4 Ų94.428%0.27846%0.463SS..Hα-helixtrans-51.6-51.3165.6172.3176.5173.4171.70113.4N2 A6 L7 Q8 E35N2-K4 PolarHBondContact O-N 3.45Å; K4-A6 PolarHBondContact O-N 3.21Å; K4-L7 PolarHBondContact O-N 3.1Å; K4-Q8 VanDerWaalsContact O-CB 3.27Å; K4-Q8 WeakPolarHBondContact O-CB 3.49Å; K4-Q8 PolarHBondContact O-N 3.24Å; K4-E35 WeakPolarHBondContact CE-OE1 3.42Å; K4-E35 VanDerWaalsContact CE-OE2 3.29Å; K4-E35 WeakPolarHBondContact CE-OE2 3.49Å; K4-E35 IonicContact NZ-OE1 2.61Å; K4-E35 PolarHBondContact NZ-OE1 3.46Å; K4-E35 IonicContact NZ-OE2 2.68Å; K4-E35 PolarHBondContact NZ-OE2 3.09Å
5Q56.8Low57.9Low98 Ų9889 Ų8946%0.45844%0.439SS..Hα-helixtrans-64-42-175.1-73.1176-58.400111.6N2 Q8 E9N2-Q5 HydrophobicContact CB-CG 4.43Å; N2-Q5 VanDerWaalsContact N-OE1 3.11Å; N2-Q5 WeakPolarHBondContact O-CB 3.4Å; N2-Q5 PolarHBondContact O-N 3.04Å; Q5-Q8 PolarHBondContact O-N 3.2Å; Q5-E9 WeakPolarHBondContact O-CB 3.42Å; Q5-E9 WeakPolarHBondContact O-CG 3.41Å; Q5-E9 PolarHBondContact O-N 2.72Å
6A60.3Low57.8Low49 Ų4992.4 Ų92.441%0.40545%0.453SS..Hα-helixtrans-60.5-48.6178.500000111.7N2 K4 Q8 E9 E10N2-A6 PolarHBondContact O-N 3.37Å; K4-A6 PolarHBondContact O-N 3.21Å; A6-Q8 VanDerWaalsContact C-N 3.33Å; A6-Q8 PolarHBondContact O-N 3.44Å; A6-E9 PolarHBondContact O-N 3.4Å; A6-E10 VanDerWaalsContact O-CB 3.28Å; A6-E10 WeakPolarHBondContact O-CB 3.2Å; A6-E10 PolarHBondContact O-N 3.47Å
7L61.5Low57.9Low47 Ų4789.7 Ų89.725%0.24645%0.449CS..Hα-helixtrans-65.4-34.8177.4-67.7171.7000112.6Q3 K4 F11 L28 I36Q3-L7 PolarHBondContact O-N 3.15Å; K4-L7 PolarHBondContact O-N 3.1Å; L7-F11 VanDerWaalsContact O-CB 3.26Å; L7-F11 WeakPolarHBondContact O-CB 3.22Å; L7-F11 PolarHBondContact O-N 3Å; L7-L28 HydrophobicContact CD1-CD1 4Å; L7-I36 HydrophobicContact CD1-CD1 4.43Å
8Q59.1Low58.3Low50 Ų5086 Ų8623%0.23443%0.431CS..Hα-helixtrans-73.6-39.8179.6-154.1169.121.200111.5K4 Q5 A6 F11 F12 D39K4-Q8 VanDerWaalsContact O-CB 3.27Å; K4-Q8 WeakPolarHBondContact O-CB 3.49Å; K4-Q8 PolarHBondContact O-N 3.24Å; Q5-Q8 PolarHBondContact O-N 3.2Å; A6-Q8 VanDerWaalsContact C-N 3.33Å; A6-Q8 PolarHBondContact O-N 3.44Å; Q8-F11 PolarHBondContact O-N 2.98Å; Q8-F12 HydrophobicContact CG-CE2 4.26Å; Q8-F12 WeakPolarHBondContact O-CD2 3.26Å; Q8-F12 PolarHBondContact O-N 3.26Å; Q8-D39 PolarHBondContact NE2-OD2 2.75Å
9E61.6Low59Low112 Ų11286.5 Ų86.552%0.52344%0.435SS..Hα-helixtrans-63.9-45.3171-73.6177.2155.600111.6Q5 A6 F11 F12 H13Q5-E9 WeakPolarHBondContact O-CB 3.42Å; Q5-E9 WeakPolarHBondContact O-CG 3.41Å; Q5-E9 PolarHBondContact O-N 2.72Å; A6-E9 PolarHBondContact O-N 3.4Å; E9-F11 VanDerWaalsContact C-N 3.33Å; E9-F11 PolarHBondContact O-N 3.08Å; E9-F12 PolarHBondContact O-N 2.93Å; E9-H13 PolarHBondContact O-CD2 3.16Å; E9-H13 PolarHBondContact O-N 2.87Å
10E61.5Low59.7Low113 Ų11383 Ų8353%0.52842%0.417SS..Hα-helixtrans-62.6-39.3177-171.5161.2-14100111.8A6 H13 N14 A17A6-E10 VanDerWaalsContact O-CB 3.28Å; A6-E10 WeakPolarHBondContact O-CB 3.2Å; A6-E10 PolarHBondContact O-N 3.47Å; E10-H13 PolarHBondContact O-N 3.46Å; E10-N14 PolarHBondContact O-N 3.32Å; E10-A17 HydrophobicContact CG-CB 4.11Å
11F59.4Low60.2Low7 Ų785.8 Ų85.83%0.03143%0.429CS..Hα-helixtrans-63.5-41.4172179.1-109.8000113.5L7 Q8 E9 H13 N14 P15 I18 M40 F43L7-F11 VanDerWaalsContact O-CB 3.26Å; L7-F11 WeakPolarHBondContact O-CB 3.22Å; L7-F11 PolarHBondContact O-N 3Å; Q8-F11 PolarHBondContact O-N 2.98Å; E9-F11 VanDerWaalsContact C-N 3.33Å; E9-F11 PolarHBondContact O-N 3.08Å; F11-H13 PolarHBondContact O-N 2.78Å; F11-N14 CarbonylContact O-C 3.39Å; F11-N14 PolarHBondContact O-N 3.24Å; F11-P15 HydrophobicContact CD2-CB 4.32Å; F11-P15 HydrophobicContact CE2-CB 3.65Å; F11-P15 HydrophobicContact CZ-CB 4.16Å; F11-I18 HydrophobicContact CB-CD1 3.79Å; F11-I18 HydrophobicContact CB-CG1 4.35Å; F11-I18 HydrophobicContact CD2-CD1 4.17Å; F11-I18 HydrophobicContact CD2-CG1 4.47Å; F11-I18 HydrophobicContact CG-CD1 4.22Å; F11-M40 HydrophobicContact CD2-CG 4.2Å; F11-M40 HydrophobicContact CE1-CG 4.46Å; F11-M40 HydrophobicContact CE2-CB 4.44Å; F11-M40 HydrophobicContact CE2-CE 4.18Å; F11-M40 HydrophobicContact CE2-CG 3.66Å; F11-M40 HydrophobicContact CZ-CB 4.25Å; F11-M40 HydrophobicContact CZ-CG 3.82Å; F11-F43 HydrophobicContact CE1-CB 3.75Å; F11-F43 HydrophobicContact CE1-CD1 4.4Å; F11-F43 AromaticContact CE1-CD2 3.63Å; F11-F43 HydrophobicContact CE1-CD2 3.63Å; F11-F43 HydrophobicContact CE1-CE2 4.25Å; F11-F43 AromaticContact CE1-CG 3.7Å; F11-F43 HydrophobicContact CE1-CG 3.7Å; F11-F43 HydrophobicContact CZ-CB 3.69Å; F11-F43 AromaticContact CZ-CD1 3.97Å; F11-F43 HydrophobicContact CZ-CD1 3.97Å; F11-F43 HydrophobicContact CZ-CD2 4.04Å; F11-F43 AromaticContact CZ-CG 3.66Å; F11-F43 HydrophobicContact CZ-CG 3.66Å
12F56.8Low62Low107 Ų10777.7 Ų77.747%0.46939%0.392SS..Hα-helixtrans-63-26.4176.1-89.4-63.5000112.9Q8 E9 F43Q8-F12 HydrophobicContact CG-CE2 4.26Å; Q8-F12 WeakPolarHBondContact O-CD2 3.26Å; Q8-F12 PolarHBondContact O-N 3.26Å; E9-F12 PolarHBondContact O-N 2.93Å; F12-F43 HydrophobicContact CD1-CE2 4.07Å; F12-F43 HydrophobicContact CE1-CD2 4.48Å; F12-F43 HydrophobicContact CE1-CE2 4.34Å
13H56.6Low62.7Low162 Ų16280.9 Ų80.975%0.7540%0.404SS*.Hα-helixtrans-87.4-36.2174.6-71.6-56.6000113.9E9 E10 F11E9-H13 PolarHBondContact O-CD2 3.16Å; E9-H13 PolarHBondContact O-N 2.87Å; E10-H13 PolarHBondContact O-N 3.46Å; F11-H13 PolarHBondContact O-N 2.78Å
14N59Low63.4Low74 Ų7480.4 Ų80.440%0.39641%0.405SS..  trans-146.3109.9174.6-1776.6000113.2E10 F11 Q16 A17E10-N14 PolarHBondContact O-N 3.32Å; F11-N14 CarbonylContact O-C 3.39Å; F11-N14 PolarHBondContact O-N 3.24Å; N14-Q16 PolarHBondContact O-N 3.22Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.48Å; N14-Q16 PolarHBondContact OD1-N 3.4Å; N14-A17 HydrophobicContact CB-CB 4.05Å; N14-A17 WeakPolarHBondContact O-CB 3.44Å; N14-A17 PolarHBondContact O-N 2.85Å
15P58.2Low64.2Low14 Ų1478.2 Ų78.29%0.09140%0.396CS..THydrogen-bonded Turntrans-75.213.5177.634.8-39.1000114.5F11 F43 F51F11-P15 HydrophobicContact CD2-CB 4.32Å; F11-P15 HydrophobicContact CE2-CB 3.65Å; F11-P15 HydrophobicContact CZ-CB 4.16Å; P15-F43 HydrophobicContact CB-CD1 4.19Å; P15-F43 HydrophobicContact CB-CE1 3.8Å; P15-F43 HydrophobicContact CB-CZ 4.45Å; P15-F43 HydrophobicContact CG-CE1 3.89Å; P15-F43 HydrophobicContact CG-CZ 4.49Å; P15-F51 VanDerWaalsContact CD-CD1 3.47Å; P15-F51 HydrophobicContact CG-CB 4Å; P15-F51 HydrophobicContact CG-CD1 3.63Å; P15-F51 HydrophobicContact CG-CD2 4.11Å; P15-F51 HydrophobicContact CG-CE1 4.07Å; P15-F51 HydrophobicContact CG-CG 3.64Å; P15-F51 HydrophobicContact CG-CZ 4.49Å
16Q55.8Low65.1Low144 Ų14476.8 Ų76.867%0.67340%0.397SS*.THydrogen-bonded Turntrans-112.9-2.8167.6-51.7-174.517.500112.8N14N14-Q16 PolarHBondContact O-N 3.22Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.48Å; N14-Q16 PolarHBondContact OD1-N 3.4Å
17A58.9Low65.9Low46 Ų4678.5 Ų78.538%0.3841%0.406SS..SBendtrans-79.6-31.4-178.300000113.7E10 N14 D19E10-A17 HydrophobicContact CG-CB 4.11Å; N14-A17 HydrophobicContact CB-CB 4.05Å; N14-A17 WeakPolarHBondContact O-CB 3.44Å; N14-A17 PolarHBondContact O-N 2.85Å; A17-D19 PolarHBondContact O-N 3.37Å
18I65.1Low66.8Low23 Ų2377 Ų7712%0.11840%0.398CS..  trans-78.1106.1171.8-62-173.4000109.1F11 F25 I36 M40F11-I18 HydrophobicContact CB-CD1 3.79Å; F11-I18 HydrophobicContact CB-CG1 4.35Å; F11-I18 HydrophobicContact CD2-CD1 4.17Å; F11-I18 HydrophobicContact CD2-CG1 4.47Å; F11-I18 HydrophobicContact CG-CD1 4.22Å; I18-F25 HydrophobicContact CG2-CD2 4.46Å; I18-I36 HydrophobicContact CD1-CG2 3.88Å; I18-M40 HydrophobicContact CB-CE 4.23Å; I18-M40 HydrophobicContact CB-SD 4.49Å; I18-M40 HydrophobicContact CG2-CE 4.34Å; I18-M40 HydrophobicContact CG2-SD 4.15Å
19D71.2Confident67.8Low96 Ų9677.6 Ų77.651%0.51341%0.406SS..  trans-80.4119.9161.9-174.65.4000110A17 E21 S22A17-D19 PolarHBondContact O-N 3.37Å; D19-E21 VanDerWaalsContact C-N 3.31Å; D19-E21 PolarHBondContact OD1-N 3.36Å; D19-S22 WeakPolarHBondContact O-CB 3.36Å
20I74.6Confident68.5Low16 Ų1672.6 Ų72.68%0.08238%0.384CS..THydrogen-bonded Turntrans-77.5-20.3-179.9-60.9168.4000110.8F25 L37 M40 Y74 L75 H78I20-F25 HydrophobicContact CG2-CD1 4.27Å; I20-F25 HydrophobicContact CG2-CE1 4.11Å; I20-F25 WeakPolarHBondContact O-CD1 3.18Å; I20-L37 HydrophobicContact CD1-CD2 3.92Å; I20-L37 HydrophobicContact CG1-CD2 4.13Å; I20-L37 HydrophobicContact CG2-CD2 3.99Å; I20-M40 HydrophobicContact CD1-CE 3.88Å; I20-M40 HydrophobicContact CD1-SD 3.95Å; I20-M40 HydrophobicContact CG1-CE 4.18Å; I20-M40 HydrophobicContact CG1-SD 4.12Å; I20-Y74 HydrophobicContact CB-CE1 4.37Å; I20-Y74 HydrophobicContact CD1-CE1 4.16Å; I20-Y74 HydrophobicContact CG2-CE1 4.44Å; I20-L75 HydrophobicContact CD1-CD1 3.85Å; I20-H78 HydrophobicContact CG2-CB 4.41Å
21E70.5Confident69.2Low141 Ų14170.8 Ų70.866%0.65938%0.375SS*.THydrogen-bonded Turntrans-89.2-2.6176.8-57.4-168.5170.500112.9D19 Y74D19-E21 VanDerWaalsContact C-N 3.31Å; D19-E21 PolarHBondContact OD1-N 3.36Å; E21-Y74 WeakPolarHBondContact CG-OH 3.42Å; E21-Y74 PolarHBondContact OE1-OH 3.19Å
22S79Confident70Confident32 Ų3272 Ų7222%0.22438%0.383CS..SBendtrans-65.5145.2179.5177.90000113.2D19 D24 F25 S26D19-S22 WeakPolarHBondContact O-CB 3.36Å; S22-D24 PolarHBondContact O-N 2.98Å; S22-D24 PolarHBondContact OG-N 3.16Å; S22-D24 VanDerWaalsContact OG-N 3.13Å; S22-F25 PolarHBondContact O-N 3.1Å; S22-S26 WeakPolarHBondContact O-CB 3.44Å; S22-S26 PolarHBondContact O-N 2.97Å; S22-S26 PolarHBondContact O-OG 3.08Å
23E72.5Confident71.2Confident174 Ų17467.7 Ų67.781%0.81336%0.364SS*.Hα-helixtrans-59.4-33.8169.8-64.5-170.2163.500111.6S26 S27E23-S26 PolarHBondContact O-N 3.23Å; E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3Å
24D71.8Confident72.4Confident120 Ų12062.3 Ų62.364%0.64234%0.339SS*.Hα-helixtrans-62.9-48.6177-68.8-52.6000111.3S22 S26 S27S22-D24 PolarHBondContact O-N 2.98Å; S22-D24 PolarHBondContact OG-N 3.16Å; S22-D24 VanDerWaalsContact OG-N 3.13Å; D24-S26 VanDerWaalsContact C-N 3.33Å; D24-S27 PolarHBondContact O-N 3.31Å; D24-S27 PolarHBondContact O-OG 2.98Å
25F78.8Confident73.4Confident17 Ų1762.2 Ų62.28%0.07534%0.336CS..Hα-helixtrans-65.2-39.5175.9-176.6-98.3000111.3I18 I20 S22 S27 L28 K33 I36 L37I18-F25 HydrophobicContact CG2-CD2 4.46Å; I20-F25 HydrophobicContact CG2-CD1 4.27Å; I20-F25 HydrophobicContact CG2-CE1 4.11Å; I20-F25 WeakPolarHBondContact O-CD1 3.18Å; S22-F25 PolarHBondContact O-N 3.1Å; F25-S27 PolarHBondContact O-N 3.41Å; F25-L28 HydrophobicContact CD2-CD1 3.91Å; F25-L28 HydrophobicContact CE2-CD1 4.3Å; F25-L28 WeakPolarHBondContact O-CB 3.25Å; F25-L28 PolarHBondContact O-N 2.91Å; F25-K33 HydrophobicContact CE1-CB 4.38Å; F25-K33 HydrophobicContact CE1-CG 4.09Å; F25-K33 HydrophobicContact CE2-CB 4.48Å; F25-K33 HydrophobicContact CE2-CG 4.33Å; F25-K33 HydrophobicContact CZ-CB 3.85Å; F25-K33 HydrophobicContact CZ-CG 3.86Å; F25-K33 WeakPolarHBondContact O-CE 3.34Å; F25-I36 HydrophobicContact CE2-CB 4.19Å; F25-I36 HydrophobicContact CE2-CD1 4.37Å; F25-I36 HydrophobicContact CE2-CG2 3.97Å; F25-L37 HydrophobicContact CE1-CD1 4.31Å; F25-L37 HydrophobicContact CE1-CD2 4.3Å; F25-L37 HydrophobicContact CE1-CG 4.42Å; F25-L37 HydrophobicContact CZ-CD1 3.96Å; F25-L37 HydrophobicContact CZ-CD2 3.93Å; F25-L37 HydrophobicContact CZ-CG 3.75Å
26S75.9Confident74.4Confident68 Ų6862.2 Ų62.248%0.47634%0.335SS..Hα-helixtrans-62.5-27.8176.4-60.20000113.2S22 E23 D24 K33S22-S26 WeakPolarHBondContact O-CB 3.44Å; S22-S26 PolarHBondContact O-N 2.97Å; S22-S26 PolarHBondContact O-OG 3.08Å; E23-S26 PolarHBondContact O-N 3.23Å; D24-S26 VanDerWaalsContact C-N 3.33Å; S26-K33 WeakPolarHBondContact O-CE 3.45Å; S26-K33 PolarHBondContact O-NZ 3.31Å
27S76.1Confident75.7Confident86 Ų8655.3 Ų55.360%0.60130%0.303SS*.THydrogen-bonded Turntrans-75.6-1717880.80000114.8E23 D24 F25E23-S27 WeakPolarHBondContact O-CB 3.35Å; E23-S27 PolarHBondContact O-N 3Å; D24-S27 PolarHBondContact O-N 3.31Å; D24-S27 PolarHBondContact O-OG 2.98Å; F25-S27 PolarHBondContact O-N 3.41Å
28L79.7Confident76.8Confident14 Ų1455.7 Ų55.77%0.07330%0.301CS..SBendtrans-70.7153.4-175.3-65175.4000112.7L7 F25 V32 K33 I36L7-L28 HydrophobicContact CD1-CD1 4Å; F25-L28 HydrophobicContact CD2-CD1 3.91Å; F25-L28 HydrophobicContact CE2-CD1 4.3Å; F25-L28 WeakPolarHBondContact O-CB 3.25Å; F25-L28 PolarHBondContact O-N 2.91Å; L28-V32 HydrophobicContact CD1-CG1 4.42Å; L28-K33 HydrophobicContact CB-CG 3.87Å; L28-K33 WeakPolarHBondContact O-CD 3.41Å; L28-K33 WeakPolarHBondContact O-CE 3.47Å; L28-K33 PolarHBondContact O-NZ 3.09Å; L28-I36 HydrophobicContact CD1-CD1 3.93Å
29P80.6Confident77.5Confident64 Ų6456.9 Ų56.942%0.41631%0.308SS..  trans-57.9145.1171.3-23.733.9000112.3E31 V32 K33P29-E31 PolarHBondContact O-N 3.5Å; P29-E31 VanDerWaalsContact O-N 3.14Å; P29-V32 HydrophobicContact CB-CG2 4.23Å; P29-V32 HydrophobicContact CG-CG2 4.26Å; P29-V32 PolarHBondContact O-N 3.17Å; P29-K33 PolarHBondContact O-N 3.45Å
30P76Confident77.7Confident7 Ų752.7 Ų52.75%0.04529%0.285CS..Hα-helixtrans-53.2-35.7180-25.733.8000113.8H34 V82 E85 M86P30-H34 VanDerWaalsContact O-CB 3.29Å; P30-H34 WeakPolarHBondContact O-CB 3.2Å; P30-H34 PolarHBondContact O-N 3.47Å; P30-V82 HydrophobicContact CB-CG1 4.25Å; P30-V82 WeakPolarHBondContact O-CG1 3.44Å; P30-E85 HydrophobicContact CG-CG 4.14Å; P30-M86 HydrophobicContact CB-CB 3.96Å; P30-M86 HydrophobicContact CB-CG 4.38Å
31E76.4Confident78Confident74 Ų7456.2 Ų56.235%0.34630%0.3SS..Hα-helixtrans-65.8-42.7-179.6-58.767.9-145.900110.9P29 H34 E35 M86 H90P29-E31 PolarHBondContact O-N 3.5Å; P29-E31 VanDerWaalsContact O-N 3.14Å; E31-H34 PolarHBondContact O-N 3.05Å; E31-E35 PolarHBondContact O-N 3.26Å; E31-M86 HydrophobicContact CG-SD 4.34Å; E31-H90 IonicContact OE1-CE1 2.7Å
32V77.3Confident78.3Confident34 Ų3453.8 Ų53.821%0.20629%0.288CS..Hα-helixtrans-73.6-40.4179.2-178.10000110.7L28 P29 H34 E35 I36L28-V32 HydrophobicContact CD1-CG1 4.42Å; P29-V32 HydrophobicContact CB-CG2 4.23Å; P29-V32 HydrophobicContact CG-CG2 4.26Å; P29-V32 PolarHBondContact O-N 3.17Å; V32-H34 VanDerWaalsContact C-N 3.35Å; V32-H34 PolarHBondContact O-N 3.49Å; V32-E35 PolarHBondContact O-N 3.43Å; V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 HydrophobicContact CG1-CG1 4.5Å; V32-I36 WeakPolarHBondContact O-CG1 3.26Å; V32-I36 PolarHBondContact O-N 3.29Å
33K81.3Confident77.9Confident16 Ų1653.1 Ų53.17%0.0728%0.281CS..Hα-helixtrans-56.4-48.4170.8-72.6168.8169.9149.50111.1F25 S26 L28 P29 E35 I36 L37 V82 E85F25-K33 HydrophobicContact CE1-CB 4.38Å; F25-K33 HydrophobicContact CE1-CG 4.09Å; F25-K33 HydrophobicContact CE2-CB 4.48Å; F25-K33 HydrophobicContact CE2-CG 4.33Å; F25-K33 HydrophobicContact CZ-CB 3.85Å; F25-K33 HydrophobicContact CZ-CG 3.86Å; F25-K33 WeakPolarHBondContact O-CE 3.34Å; S26-K33 WeakPolarHBondContact O-CE 3.45Å; S26-K33 PolarHBondContact O-NZ 3.31Å; L28-K33 HydrophobicContact CB-CG 3.87Å; L28-K33 WeakPolarHBondContact O-CD 3.41Å; L28-K33 WeakPolarHBondContact O-CE 3.47Å; L28-K33 PolarHBondContact O-NZ 3.09Å; P29-K33 PolarHBondContact O-N 3.45Å; K33-E35 PolarHBondContact O-N 3.23Å; K33-I36 PolarHBondContact O-N 3.4Å; K33-L37 WeakPolarHBondContact O-CB 3.43Å; K33-L37 WeakPolarHBondContact O-CD1 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.29Å; K33-L37 PolarHBondContact O-N 2.9Å; K33-V82 HydrophobicContact CB-CG1 3.74Å; K33-V82 HydrophobicContact CB-CG2 4.01Å; K33-V82 HydrophobicContact CD-CG1 4.48Å; K33-V82 HydrophobicContact CD-CG2 4.21Å; K33-E85 IonicContact NZ-OE1 2.7Å; K33-E85 IonicContact NZ-OE2 2.94Å
34H82.8Confident77.8Confident48 Ų4847 Ų4722%0.22226%0.256CS..Hα-helixtrans-63-41.2-179.4-178.4-79.3000112P30 E31 V32 T38 V82P30-H34 VanDerWaalsContact O-CB 3.29Å; P30-H34 WeakPolarHBondContact O-CB 3.2Å; P30-H34 PolarHBondContact O-N 3.47Å; E31-H34 PolarHBondContact O-N 3.05Å; V32-H34 VanDerWaalsContact C-N 3.35Å; V32-H34 PolarHBondContact O-N 3.49Å; H34-T38 WeakPolarHBondContact O-CB 3.46Å; H34-T38 PolarHBondContact O-N 2.57Å; H34-T38 PolarHBondContact O-OG1 3.27Å; H34-V82 HydrophobicContact CB-CG1 3.94Å
35E78.8Confident77.7Confident73 Ų7350.2 Ų50.234%0.34126%0.264SS..Hα-helixtrans-61.5-53.6175.2-168.8177.2-168.400111.4K4 E31 V32 K33 L37 T38 D39K4-E35 WeakPolarHBondContact CE-OE1 3.42Å; K4-E35 VanDerWaalsContact CE-OE2 3.29Å; K4-E35 WeakPolarHBondContact CE-OE2 3.49Å; K4-E35 IonicContact NZ-OE1 2.61Å; K4-E35 PolarHBondContact NZ-OE1 3.46Å; K4-E35 IonicContact NZ-OE2 2.68Å; K4-E35 PolarHBondContact NZ-OE2 3.09Å; E31-E35 PolarHBondContact O-N 3.26Å; V32-E35 PolarHBondContact O-N 3.43Å; K33-E35 PolarHBondContact O-N 3.23Å; E35-L37 PolarHBondContact O-N 2.8Å; E35-T38 WeakPolarHBondContact O-CA 3.44Å; E35-T38 WeakPolarHBondContact O-CB 3.47Å; E35-T38 PolarHBondContact O-N 3.12Å; E35-D39 PolarHBondContact O-N 3.4Å
36I80.1Confident77.2Confident13 Ų1358 Ų587%0.06729%0.293CS..Hα-helixtrans-58.9-44.8-179.7-67.4168.9000111.6L7 I18 F25 L28 V32 K33 T38 D39 M40L7-I36 HydrophobicContact CD1-CD1 4.43Å; I18-I36 HydrophobicContact CD1-CG2 3.88Å; F25-I36 HydrophobicContact CE2-CB 4.19Å; F25-I36 HydrophobicContact CE2-CD1 4.37Å; F25-I36 HydrophobicContact CE2-CG2 3.97Å; L28-I36 HydrophobicContact CD1-CD1 3.93Å; V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 HydrophobicContact CG1-CG1 4.5Å; V32-I36 WeakPolarHBondContact O-CG1 3.26Å; V32-I36 PolarHBondContact O-N 3.29Å; K33-I36 PolarHBondContact O-N 3.4Å; I36-T38 VanDerWaalsContact C-N 3.27Å; I36-T38 PolarHBondContact O-N 3.35Å; I36-D39 PolarHBondContact O-N 2.82Å; I36-M40 HydrophobicContact CG2-CG 4.45Å; I36-M40 HydrophobicContact CG2-SD 4.28Å; I36-M40 VanDerWaalsContact O-CG 3.28Å; I36-M40 WeakPolarHBondContact O-CG 3.34Å; I36-M40 PolarHBondContact O-N 2.79Å
37L82.7Confident76.5Confident0 Ų060.1 Ų60.10%029%0.291CS..Hα-helixtrans-66.7-29.8178.5-64.2164.4000112.3I20 F25 K33 E35 K41 L75 H78 I79 V82I20-L37 HydrophobicContact CD1-CD2 3.92Å; I20-L37 HydrophobicContact CG1-CD2 4.13Å; I20-L37 HydrophobicContact CG2-CD2 3.99Å; F25-L37 HydrophobicContact CE1-CD1 4.31Å; F25-L37 HydrophobicContact CE1-CD2 4.3Å; F25-L37 HydrophobicContact CE1-CG 4.42Å; F25-L37 HydrophobicContact CZ-CD1 3.96Å; F25-L37 HydrophobicContact CZ-CD2 3.93Å; F25-L37 HydrophobicContact CZ-CG 3.75Å; K33-L37 WeakPolarHBondContact O-CB 3.43Å; K33-L37 WeakPolarHBondContact O-CD1 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.29Å; K33-L37 PolarHBondContact O-N 2.9Å; E35-L37 PolarHBondContact O-N 2.8Å; L37-K41 WeakPolarHBondContact O-CB 3.46Å; L37-K41 PolarHBondContact O-N 3.44Å; L37-K41 VanDerWaalsContact O-N 3.13Å; L37-L75 HydrophobicContact CB-CD1 4.17Å; L37-L75 HydrophobicContact CD2-CD1 3.55Å; L37-L75 HydrophobicContact CG-CD1 4.47Å; L37-H78 HydrophobicContact CD1-CB 4.08Å; L37-H78 HydrophobicContact CD2-CB 4.23Å; L37-I79 HydrophobicContact CB-CD1 4.24Å; L37-I79 HydrophobicContact CB-CG1 3.53Å; L37-I79 HydrophobicContact CD1-CG1 4.36Å; L37-V82 HydrophobicContact CD1-CB 4.48Å; L37-V82 HydrophobicContact CD1-CG2 3.87Å
38T81.3Confident75.9Confident54 Ų5459.1 Ų59.133%0.33127%0.274SS..Hα-helixtrans-71.2-45174.5-59.40000111H34 E35 I36 M40 K41 E42H34-T38 WeakPolarHBondContact O-CB 3.46Å; H34-T38 PolarHBondContact O-N 2.57Å; H34-T38 PolarHBondContact O-OG1 3.27Å; E35-T38 WeakPolarHBondContact O-CA 3.44Å; E35-T38 WeakPolarHBondContact O-CB 3.47Å; E35-T38 PolarHBondContact O-N 3.12Å; I36-T38 VanDerWaalsContact C-N 3.27Å; I36-T38 PolarHBondContact O-N 3.35Å; T38-M40 PolarHBondContact O-N 3.06Å; T38-K41 WeakPolarHBondContact O-CB 3.5Å; T38-K41 PolarHBondContact O-N 2.88Å; T38-K41 VanDerWaalsContact O-N 3.12Å; T38-E42 PolarHBondContact O-N 2.82Å
39D79.3Confident75Confident48 Ų4863 Ų6326%0.25730%0.298SS..Hα-helixtrans-58-46.5172.3-85.49.8000111.4Q8 E35 I36 K41 E42 F43Q8-D39 PolarHBondContact NE2-OD2 2.75Å; E35-D39 PolarHBondContact O-N 3.4Å; I36-D39 PolarHBondContact O-N 2.82Å; D39-K41 PolarHBondContact O-N 2.72Å; D39-E42 PolarHBondContact O-N 2.99Å; D39-F43 VanDerWaalsContact O-CB 3.25Å; D39-F43 WeakPolarHBondContact O-CB 3.31Å; D39-F43 PolarHBondContact O-N 2.87Å
40M75.9Confident73.9Confident7 Ų766 Ų663%0.03431%0.31CS..Hα-helixtrans-58.1-37176-71.5-177.388.800112.2F11 I18 I20 I36 T38 T44 L75F11-M40 HydrophobicContact CD2-CG 4.2Å; F11-M40 HydrophobicContact CE1-CG 4.46Å; F11-M40 HydrophobicContact CE2-CB 4.44Å; F11-M40 HydrophobicContact CE2-CE 4.18Å; F11-M40 HydrophobicContact CE2-CG 3.66Å; F11-M40 HydrophobicContact CZ-CB 4.25Å; F11-M40 HydrophobicContact CZ-CG 3.82Å; I18-M40 HydrophobicContact CB-CE 4.23Å; I18-M40 HydrophobicContact CB-SD 4.49Å; I18-M40 HydrophobicContact CG2-CE 4.34Å; I18-M40 HydrophobicContact CG2-SD 4.15Å; I20-M40 HydrophobicContact CD1-CE 3.88Å; I20-M40 HydrophobicContact CD1-SD 3.95Å; I20-M40 HydrophobicContact CG1-CE 4.18Å; I20-M40 HydrophobicContact CG1-SD 4.12Å; I36-M40 HydrophobicContact CG2-CG 4.45Å; I36-M40 HydrophobicContact CG2-SD 4.28Å; I36-M40 VanDerWaalsContact O-CG 3.28Å; I36-M40 WeakPolarHBondContact O-CG 3.34Å; I36-M40 PolarHBondContact O-N 2.79Å; T38-M40 PolarHBondContact O-N 3.06Å; M40-T44 VanDerWaalsContact O-CB 3.22Å; M40-T44 WeakPolarHBondContact O-CB 3.49Å; M40-T44 PolarHBondContact O-N 2.94Å; M40-T44 PolarHBondContact O-OG1 3.22Å; M40-L75 HydrophobicContact CB-CD1 4.22Å; M40-L75 HydrophobicContact CB-CD2 3.99Å
41K81.4Confident73Confident91 Ų9169.9 Ų69.940%0.39633%0.326SS..Hα-helixtrans-73.7-38.9179.7174.7170.2167.5173.10111.9L37 T38 D39 K45 L75 N76 I79L37-K41 WeakPolarHBondContact O-CB 3.46Å; L37-K41 PolarHBondContact O-N 3.44Å; L37-K41 VanDerWaalsContact O-N 3.13Å; T38-K41 WeakPolarHBondContact O-CB 3.5Å; T38-K41 PolarHBondContact O-N 2.88Å; T38-K41 VanDerWaalsContact O-N 3.12Å; D39-K41 PolarHBondContact O-N 2.72Å; K41-K45 WeakPolarHBondContact O-CB 3.04Å; K41-K45 PolarHBondContact O-N 3.04Å; K41-K45 VanDerWaalsContact O-N 3.12Å; K41-L75 HydrophobicContact CB-CD2 3.71Å; K41-L75 HydrophobicContact CB-CG 4.38Å; K41-N76 VanDerWaalsContact CE-OD1 3.26Å; K41-N76 WeakPolarHBondContact CE-OD1 3.31Å; K41-N76 PolarHBondContact NZ-OD1 3.04Å; K41-I79 HydrophobicContact CB-CD1 4.26Å; K41-I79 HydrophobicContact CD-CD1 3.36Å; K41-I79 HydrophobicContact CG-CD1 4.49Å
42E76.6Confident72.5Confident89 Ų8968.5 Ų68.542%0.41632%0.32SS..Hα-helixtrans-70.2-42.5175.4-174.4146.5139.900112.1T38 D39 K45 R46T38-E42 PolarHBondContact O-N 2.82Å; D39-E42 PolarHBondContact O-N 2.99Å; E42-K45 WeakPolarHBondContact O-CB 3.37Å; E42-K45 PolarHBondContact O-N 3.21Å; E42-R46 VanDerWaalsContact CG-NH1 3.34Å; E42-R46 PolarHBondContact O-N 3.48Å; E42-R46 IonicContact OE1-CZ 3.65Å; E42-R46 IonicContact OE1-NH1 3.16Å; E42-R46 PolarHBondContact OE1-NH1 2.87Å; E42-R46 IonicContact OE1-NH2 2.63Å; E42-R46 PolarHBondContact OE1-NH2 3.35Å; E42-R46 IonicContact OE2-NH2 2.6Å
43F71.6Confident71.8Confident18 Ų1870.9 Ų70.98%0.07934%0.343CS..Hα-helixtrans-63.1-46.4174.5-166.2-77.6000111.6F11 F12 P15 D39 K45 R46 R47 F51F11-F43 HydrophobicContact CE1-CB 3.75Å; F11-F43 HydrophobicContact CE1-CD1 4.4Å; F11-F43 AromaticContact CE1-CD2 3.63Å; F11-F43 HydrophobicContact CE1-CD2 3.63Å; F11-F43 HydrophobicContact CE1-CE2 4.25Å; F11-F43 AromaticContact CE1-CG 3.7Å; F11-F43 HydrophobicContact CE1-CG 3.7Å; F11-F43 HydrophobicContact CZ-CB 3.69Å; F11-F43 AromaticContact CZ-CD1 3.97Å; F11-F43 HydrophobicContact CZ-CD1 3.97Å; F11-F43 HydrophobicContact CZ-CD2 4.04Å; F11-F43 AromaticContact CZ-CG 3.66Å; F11-F43 HydrophobicContact CZ-CG 3.66Å; F12-F43 HydrophobicContact CD1-CE2 4.07Å; F12-F43 HydrophobicContact CE1-CD2 4.48Å; F12-F43 HydrophobicContact CE1-CE2 4.34Å; P15-F43 HydrophobicContact CB-CD1 4.19Å; P15-F43 HydrophobicContact CB-CE1 3.8Å; P15-F43 HydrophobicContact CB-CZ 4.45Å; P15-F43 HydrophobicContact CG-CE1 3.89Å; P15-F43 HydrophobicContact CG-CZ 4.49Å; D39-F43 VanDerWaalsContact O-CB 3.25Å; D39-F43 WeakPolarHBondContact O-CB 3.31Å; D39-F43 PolarHBondContact O-N 2.87Å; F43-K45 PolarHBondContact O-N 2.83Å; F43-R46 PolarHBondContact O-N 3.14Å; F43-R46 VanDerWaalsContact O-N 3.16Å; F43-R47 HydrophobicContact CD1-CB 4.19Å; F43-R47 HydrophobicContact CE1-CB 4.03Å; F43-R47 HydrophobicContact CZ-CB 4.43Å; F43-R47 PolarHBondContact O-N 3.2Å; F43-F51 AromaticContact CE1-CD2 3.79Å; F43-F51 HydrophobicContact CE1-CD2 3.79Å; F43-F51 AromaticContact CE1-CE2 3.57Å; F43-F51 HydrophobicContact CE1-CE2 3.57Å; F43-F51 HydrophobicContact CE1-CZ 4.28Å; F43-F51 HydrophobicContact CZ-CD2 4.15Å; F43-F51 AromaticContact CZ-CE2 3.43Å; F43-F51 HydrophobicContact CZ-CE2 3.43Å; F43-F51 VanDerWaalsContact CZ-CE2 3.43Å; F43-F51 AromaticContact CZ-CZ 3.84Å; F43-F51 HydrophobicContact CZ-CZ 3.84Å
44T68.7Low71.5Confident47 Ų4776.1 Ų76.129%0.28837%0.369SS..Hα-helixtrans-61.9-27.2175.2-58.40000112M40M40-T44 VanDerWaalsContact O-CB 3.22Å; M40-T44 WeakPolarHBondContact O-CB 3.49Å; M40-T44 PolarHBondContact O-N 2.94Å; M40-T44 PolarHBondContact O-OG1 3.22Å
45K70.9Confident71.2Confident187 Ų18775.6 Ų75.681%0.81337%0.37SS*.Hα-helixtrans-76.9-39.5173.4-175.2-174.4175.6-170.30112.9K41 E42 F43K41-K45 WeakPolarHBondContact O-CB 3.04Å; K41-K45 PolarHBondContact O-N 3.04Å; K41-K45 VanDerWaalsContact O-N 3.12Å; E42-K45 WeakPolarHBondContact O-CB 3.37Å; E42-K45 PolarHBondContact O-N 3.21Å; F43-K45 PolarHBondContact O-N 2.83Å
46R67.8Low70.9Confident179 Ų17981.8 Ų81.868%0.67540%0.399SS*.Hα-helixtrans-92.1-29.6-174.1-68.6-164.4-173.7112.79.7115.5E42 F43E42-R46 VanDerWaalsContact CG-NH1 3.34Å; E42-R46 PolarHBondContact O-N 3.48Å; E42-R46 IonicContact OE1-CZ 3.65Å; E42-R46 IonicContact OE1-NH1 3.16Å; E42-R46 PolarHBondContact OE1-NH1 2.87Å; E42-R46 IonicContact OE1-NH2 2.63Å; E42-R46 PolarHBondContact OE1-NH2 3.35Å; E42-R46 IonicContact OE2-NH2 2.6Å; F43-R46 PolarHBondContact O-N 3.14Å; F43-R46 VanDerWaalsContact O-N 3.16Å
47R62.2Low70.4Confident113 Ų11388.1 Ų88.143%0.42643%0.429SS..SBendtrans-127.213.1-165.1-67.8-169.7174.1168.9-0.6115.5F43 T49 L50F43-R47 HydrophobicContact CD1-CB 4.19Å; F43-R47 HydrophobicContact CE1-CB 4.03Å; F43-R47 HydrophobicContact CZ-CB 4.43Å; F43-R47 PolarHBondContact O-N 3.2Å; R47-T49 VanDerWaalsContact C-N 3.3Å; R47-T49 PolarHBondContact O-N 3.5Å; R47-L50 HydrophobicContact CB-CD1 4.11Å; R47-L50 HydrophobicContact CG-CD1 3.97Å; R47-L50 WeakPolarHBondContact O-CB 3.39Å; R47-L50 PolarHBondContact O-N 3.02Å
48R63.5Low69.9Low66 Ų6692.8 Ų92.825%0.24946%0.461CS..Hα-helixtrans-50.5-46.4-175.8-173177.2-179.7-155.6-5.1113.6L50 F51 E52 Y64R48-L50 PolarHBondContact O-N 3.35Å; R48-F51 PolarHBondContact O-N 3.45Å; R48-E52 HydrophobicContact CG-CB 4.47Å; R48-E52 IonicContact CZ-OE2 3.91Å; R48-E52 VanDerWaalsContact CZ-OE2 3.26Å; R48-E52 IonicContact NE-OE2 2.84Å; R48-E52 PolarHBondContact NE-OE2 3.07Å; R48-E52 IonicContact NH2-OE2 3.98Å; R48-E52 PolarHBondContact NH2-OE2 3.19Å; R48-E52 PolarHBondContact O-N 3.09Å; R48-Y64 PolarHBondContact NH2-O 3Å
49T59.8Low69.5Low96 Ų9696 Ų9659%0.58948%0.476SS*.Hα-helixtrans-70.4-7.6-178.246.80000115R47R47-T49 VanDerWaalsContact C-N 3.3Å; R47-T49 PolarHBondContact O-N 3.5Å
50L58.2Low69.4Low127 Ų12797.6 Ų97.667%0.66549%0.485SS*.Hα-helixtrans-88.6-16.6173.9-67.4170.2000113.2R47 R48R47-L50 HydrophobicContact CB-CD1 4.11Å; R47-L50 HydrophobicContact CG-CD1 3.97Å; R47-L50 WeakPolarHBondContact O-CB 3.39Å; R47-L50 PolarHBondContact O-N 3.02Å; R48-L50 PolarHBondContact O-N 3.35Å
51F57.3Low69.6Low87 Ų87101.3 Ų101.338%0.38250%0.501SS..Hα-helixtrans-128.2-20.1-174.8-66.3-88.9000113.9P15 F43 R48P15-F51 VanDerWaalsContact CD-CD1 3.47Å; P15-F51 HydrophobicContact CG-CB 4Å; P15-F51 HydrophobicContact CG-CD1 3.63Å; P15-F51 HydrophobicContact CG-CD2 4.11Å; P15-F51 HydrophobicContact CG-CE1 4.07Å; P15-F51 HydrophobicContact CG-CG 3.64Å; P15-F51 HydrophobicContact CG-CZ 4.49Å; F43-F51 AromaticContact CE1-CD2 3.79Å; F43-F51 HydrophobicContact CE1-CD2 3.79Å; F43-F51 AromaticContact CE1-CE2 3.57Å; F43-F51 HydrophobicContact CE1-CE2 3.57Å; F43-F51 HydrophobicContact CE1-CZ 4.28Å; F43-F51 HydrophobicContact CZ-CD2 4.15Å; F43-F51 AromaticContact CZ-CE2 3.43Å; F43-F51 HydrophobicContact CZ-CE2 3.43Å; F43-F51 VanDerWaalsContact CZ-CE2 3.43Å; F43-F51 AromaticContact CZ-CZ 3.84Å; F43-F51 HydrophobicContact CZ-CZ 3.84Å; R48-F51 PolarHBondContact O-N 3.45Å
52E64.9Low69.5Low46 Ų46100.5 Ų100.522%0.21551%0.507CS..SBendtrans-122.798.2171.4-153.4-179.2-150.800108.2R48 Y64 K67R48-E52 HydrophobicContact CG-CB 4.47Å; R48-E52 IonicContact CZ-OE2 3.91Å; R48-E52 VanDerWaalsContact CZ-OE2 3.26Å; R48-E52 IonicContact NE-OE2 2.84Å; R48-E52 PolarHBondContact NE-OE2 3.07Å; R48-E52 IonicContact NH2-OE2 3.98Å; R48-E52 PolarHBondContact NH2-OE2 3.19Å; R48-E52 PolarHBondContact O-N 3.09Å; E52-Y64 HydrophobicContact CB-CE2 4.1Å; E52-Y64 HydrophobicContact CG-CD2 4.34Å; E52-Y64 HydrophobicContact CG-CE2 3.73Å; E52-Y64 PolarHBondContact O-OH 3.34Å; E52-K67 WeakPolarHBondContact OE1-CD 3.39Å; E52-K67 VanDerWaalsContact OE1-CE 3.26Å; E52-K67 WeakPolarHBondContact OE1-CE 3.4Å; E52-K67 IonicContact OE1-NZ 2.65Å; E52-K67 PolarHBondContact OE1-NZ 3.48Å
53A62.6Low69.6Low84 Ų84102.1 Ų102.169%0.69451%0.514SS*.PPolyproline II helixtrans-56.4147.1-177.500000111.7Y64A53-Y64 VanDerWaalsContact O-CE2 3.25Å; A53-Y64 WeakPolarHBondContact O-CE2 3.38Å
54M75.1Confident70.1Confident125 Ų125102.6 Ų102.662%0.61652%0.516SS*.PPolyproline II helixtrans-73.6132176.8-166.5173.7-58.800109.4
55P77.4Confident70.7Confident38 Ų38105.7 Ų105.725%0.24753%0.527CS..PPolyproline II helixtrans-59.7139173.2-2333.7000111.5D60 Y64P55-D60 HydrophobicContact CB-CB 3.97Å; P55-D60 HydrophobicContact CG-CB 4.36Å; P55-Y64 HydrophobicContact CG-CD2 4.09Å; P55-Y64 HydrophobicContact CG-CG 4.01Å
56E71.3Confident71.1Confident202 Ų202101.6 Ų101.694%0.94451%0.513SS*.SBendtrans-82.4-26.8177.8-61.2-172.5168.500112.3
57E69.8Low71.6Confident147 Ų14799.1 Ų99.169%0.68751%0.508SS*.SBendtrans-95145.3177.3-61.4-168.5177.400112D59E57-D59 VanDerWaalsContact C-N 3.28Å; E57-D59 PolarHBondContact O-N 3.37Å
58S72.1Confident72.4Confident98 Ų9894.4 Ų94.469%0.68549%0.494SS*.THydrogen-bonded Turntrans-62.8-31.5-173.144.60000114.3F61S58-F61 WeakPolarHBondContact O-CB 3.49Å
59D73.6Confident73.2Confident121 Ų12196.5 Ų96.565%0.64751%0.509SS*.THydrogen-bonded Turntrans-83.3-35.9-162.5-6313.1000110.2E57 F61 S62E57-D59 VanDerWaalsContact C-N 3.28Å; E57-D59 PolarHBondContact O-N 3.37Å; D59-F61 VanDerWaalsContact C-N 3.3Å; D59-F61 PolarHBondContact O-N 3.5Å; D59-S62 PolarHBondContact O-N 3.22Å; D59-S62 PolarHBondContact O-OG 3.29Å
60D77.4Confident74.1Confident81 Ų8196.9 Ų96.943%0.43351%0.507SS..Hα-helixtrans-71.8-19.1174-81.5-15.1000114P55 S62 Q63 Y64P55-D60 HydrophobicContact CB-CB 3.97Å; P55-D60 HydrophobicContact CG-CB 4.36Å; D60-S62 PolarHBondContact O-N 3.45Å; D60-Q63 PolarHBondContact O-N 3.35Å; D60-Q63 VanDerWaalsContact O-N 3.07Å; D60-Q63 PolarHBondContact OD1-NE2 3.06Å; D60-Y64 PolarHBondContact O-N 3.1Å
61F79.1Confident75.1Confident86 Ų8695.5 Ų95.538%0.37750%0.496SS..Hα-helixtrans-57-35.5175.1-173.2-104.6000111.9S58 D59 Y64 Q65S58-F61 WeakPolarHBondContact O-CB 3.49Å; D59-F61 VanDerWaalsContact C-N 3.3Å; D59-F61 PolarHBondContact O-N 3.5Å; F61-Y64 PolarHBondContact O-N 3.32Å; F61-Q65 HydrophobicContact CD1-CG 4.33Å; F61-Q65 HydrophobicContact CE1-CG 4.07Å; F61-Q65 HydrophobicContact CZ-CG 4.3Å; F61-Q65 WeakPolarHBondContact O-CG 3.43Å; F61-Q65 PolarHBondContact O-N 3.21Å
62S79.6Confident76.3Confident73 Ų7397.3 Ų97.351%0.5150%0.503SS..Hα-helixtrans-61.1-44.9175.269.10000112.3D59 D60 Q65 L66D59-S62 PolarHBondContact O-N 3.22Å; D59-S62 PolarHBondContact O-OG 3.29Å; D60-S62 PolarHBondContact O-N 3.45Å; S62-Q65 PolarHBondContact O-N 3.39Å; S62-L66 PolarHBondContact O-N 3.14Å; S62-L66 VanDerWaalsContact O-N 3.07Å
63Q79.9Confident77.2Confident124 Ų12499 Ų9958%0.57951%0.514SS*.Hα-helixtrans-69-41.9178.8-54.6-167.359.200111.1D60 Q65 L66 K67D60-Q63 PolarHBondContact O-N 3.35Å; D60-Q63 VanDerWaalsContact O-N 3.07Å; D60-Q63 PolarHBondContact OD1-NE2 3.06Å; Q63-Q65 PolarHBondContact O-N 3.43Å; Q63-L66 PolarHBondContact O-N 2.9Å; Q63-K67 VanDerWaalsContact O-CB 3.25Å; Q63-K67 WeakPolarHBondContact O-CB 3.22Å; Q63-K67 PolarHBondContact O-N 3.47Å
64Y81.9Confident78.1Confident28 Ų2898.7 Ų98.711%0.1150%0.496CS..Hα-helixtrans-59.6-42.5174.5176.7-89.3000112.2R48 E52 A53 P55 D60 F61 G68R48-Y64 PolarHBondContact NH2-O 3Å; E52-Y64 HydrophobicContact CB-CE2 4.1Å; E52-Y64 HydrophobicContact CG-CD2 4.34Å; E52-Y64 HydrophobicContact CG-CE2 3.73Å; E52-Y64 PolarHBondContact O-OH 3.34Å; A53-Y64 VanDerWaalsContact O-CE2 3.25Å; A53-Y64 WeakPolarHBondContact O-CE2 3.38Å; P55-Y64 HydrophobicContact CG-CD2 4.09Å; P55-Y64 HydrophobicContact CG-CG 4.01Å; D60-Y64 PolarHBondContact O-N 3.1Å; F61-Y64 PolarHBondContact O-N 3.32Å; Y64-G68 PolarHBondContact O-N 3.18Å
65Q79.6Confident78.5Confident112 Ų11293.1 Ų93.152%0.52347%0.468SS..Hα-helixtrans-63-49.3174.3-75.2-169-23.400111.8F61 S62 Q63 G68 L69F61-Q65 HydrophobicContact CD1-CG 4.33Å; F61-Q65 HydrophobicContact CE1-CG 4.07Å; F61-Q65 HydrophobicContact CZ-CG 4.3Å; F61-Q65 WeakPolarHBondContact O-CG 3.43Å; F61-Q65 PolarHBondContact O-N 3.21Å; S62-Q65 PolarHBondContact O-N 3.39Å; Q63-Q65 PolarHBondContact O-N 3.43Å; Q65-G68 PolarHBondContact O-N 2.88Å; Q65-L69 PolarHBondContact O-N 3.2Å
66L79.9Confident78.8Confident100 Ų10093.7 Ų93.752%0.52447%0.469SS..Hα-helixtrans-61.7-46.4-179.3-178.959.5000112.4S62 Q63 G68 L69 L70S62-L66 PolarHBondContact O-N 3.14Å; S62-L66 VanDerWaalsContact O-N 3.07Å; Q63-L66 PolarHBondContact O-N 2.9Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 2.89Å; L66-L69 WeakPolarHBondContact O-CB 3.43Å; L66-L69 PolarHBondContact O-N 3.05Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L66-L70 HydrophobicContact CD1-CD1 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.32Å; L66-L70 HydrophobicContact CG-CD1 4.12Å; L66-L70 WeakPolarHBondContact O-CG 3.21Å; L66-L70 PolarHBondContact O-N 3.35Å
67K78.9Confident79.4Confident128 Ų12889.7 Ų89.756%0.55745%0.45SS*.Hα-helixtrans-56.3-43177.1-174.9-172.9178.5-1570112.1E52 Q63 L70 K71E52-K67 WeakPolarHBondContact OE1-CD 3.39Å; E52-K67 VanDerWaalsContact OE1-CE 3.26Å; E52-K67 WeakPolarHBondContact OE1-CE 3.4Å; E52-K67 IonicContact OE1-NZ 2.65Å; E52-K67 PolarHBondContact OE1-NZ 3.48Å; Q63-K67 VanDerWaalsContact O-CB 3.25Å; Q63-K67 WeakPolarHBondContact O-CB 3.22Å; Q63-K67 PolarHBondContact O-N 3.47Å; K67-L70 PolarHBondContact O-N 3.46Å; K67-K71 PolarHBondContact O-N 2.77Å
68G78.8Confident80Confident13 Ų1384.9 Ų84.913%0.13443%0.428CS..Hα-helixtrans-67.4-37.6175.700000113.4Y64 Q65 L66 K72Y64-G68 PolarHBondContact O-N 3.18Å; Q65-G68 PolarHBondContact O-N 2.88Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 2.89Å; G68-K72 WeakPolarHBondContact O-CB 3.45Å; G68-K72 PolarHBondContact O-N 2.9Å
69L79.5Confident80.6Confident110 Ų11080.9 Ų80.958%0.57640%0.399SS*.Hα-helixtrans-66.7-40.2175.8-170.765.6000111.6Q65 L66 K72 N73Q65-L69 PolarHBondContact O-N 3.2Å; L66-L69 WeakPolarHBondContact O-CB 3.43Å; L66-L69 PolarHBondContact O-N 3.05Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L69-K72 PolarHBondContact O-N 3.13Å; L69-N73 WeakPolarHBondContact O-CB 3.5Å; L69-N73 PolarHBondContact O-N 3.27Å
70L79.9Confident81.1Confident105 Ų10579.9 Ų79.955%0.5539%0.39SS..Hα-helixtrans-64.3-48.7174.3-69.2171.2000111.7L66 K67 K72 N73 Y74L66-L70 HydrophobicContact CD1-CD1 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.32Å; L66-L70 HydrophobicContact CG-CD1 4.12Å; L66-L70 WeakPolarHBondContact O-CG 3.21Å; L66-L70 PolarHBondContact O-N 3.35Å; K67-L70 PolarHBondContact O-N 3.46Å; L70-K72 VanDerWaalsContact C-N 3.27Å; L70-K72 PolarHBondContact O-N 3.19Å; L70-N73 PolarHBondContact O-N 3.11Å; L70-N73 VanDerWaalsContact O-N 3.09Å; L70-Y74 WeakPolarHBondContact O-CB 3.41Å; L70-Y74 PolarHBondContact O-N 3Å
71K78.7Confident81.4Confident98 Ų9881.8 Ų81.843%0.42640%0.396SS..Hα-helixtrans-59.1-37.9176-173.3169.3-178.6172.70112.1K67 L75K67-K71 PolarHBondContact O-N 2.77Å; K71-L75 WeakPolarHBondContact O-CB 3.37Å; K71-L75 PolarHBondContact O-N 2.86Å; K71-L75 VanDerWaalsContact O-N 3.08Å
72K82.3Confident81.7Confident124 Ų12478 Ų7854%0.53938%0.38SS..Hα-helixtrans-67-38.7174.4-179-177.2174.5-172.60112.8G68 L69 L70 N76G68-K72 WeakPolarHBondContact O-CB 3.45Å; G68-K72 PolarHBondContact O-N 2.9Å; L69-K72 PolarHBondContact O-N 3.13Å; L70-K72 VanDerWaalsContact C-N 3.27Å; L70-K72 PolarHBondContact O-N 3.19Å; K72-N76 PolarHBondContact O-N 2.78Å; K72-N76 VanDerWaalsContact O-N 3.16Å; K72-N76 PolarHBondContact O-ND2 3.29Å
73N83.8Confident81.7Confident83 Ų8377.9 Ų77.944%0.44437%0.371SS..Hα-helixtrans-67.1-51.2177.5-169.6-21000110.5L69 L70 L75 N76 Q77L69-N73 WeakPolarHBondContact O-CB 3.5Å; L69-N73 PolarHBondContact O-N 3.27Å; L70-N73 PolarHBondContact O-N 3.11Å; L70-N73 VanDerWaalsContact O-N 3.09Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 2.9Å; N73-N76 WeakPolarHBondContact O-CB 3.36Å; N73-N76 PolarHBondContact O-N 2.91Å; N73-N76 VanDerWaalsContact O-N 3.08Å; N73-Q77 PolarHBondContact O-N 3.36Å; N73-Q77 PolarHBondContact OD1-NE2 3.49Å
74Y82.5Confident81.6Confident77 Ų7777.6 Ų77.630%0.30237%0.368SS..Hα-helixtrans-51.3-49.5175179.1-98.8000112.6I20 E21 L70 N76 Q77 H78I20-Y74 HydrophobicContact CB-CE1 4.37Å; I20-Y74 HydrophobicContact CD1-CE1 4.16Å; I20-Y74 HydrophobicContact CG2-CE1 4.44Å; E21-Y74 WeakPolarHBondContact CG-OH 3.42Å; E21-Y74 PolarHBondContact OE1-OH 3.19Å; L70-Y74 WeakPolarHBondContact O-CB 3.41Å; L70-Y74 PolarHBondContact O-N 3Å; Y74-N76 VanDerWaalsContact C-N 3.35Å; Y74-N76 PolarHBondContact O-N 2.89Å; Y74-Q77 PolarHBondContact O-N 2.98Å; Y74-H78 AromaticContact CE1-CD2 3.57Å; Y74-H78 AromaticContact CE1-NE2 3.77Å; Y74-H78 AromaticContact CE2-CD2 3.8Å; Y74-H78 AromaticContact CE2-NE2 3.52Å; Y74-H78 AromaticContact CZ-CD2 3.42Å; Y74-H78 VanDerWaalsContact CZ-CD2 3.42Å; Y74-H78 AromaticContact CZ-NE2 3.15Å; Y74-H78 PolarHBondContact O-N 3.36Å; Y74-H78 VanDerWaalsContact O-N 3.15Å; Y74-H78 PolarHBondContact OH-NE2 3.09Å
75L81.9Confident81.6Confident8 Ų878.8 Ų78.84%0.04238%0.375CS..Hα-helixtrans-65-35178.9-173.461.4000113.1I20 L37 M40 K41 K71 N73 I79I20-L75 HydrophobicContact CD1-CD1 3.85Å; L37-L75 HydrophobicContact CB-CD1 4.17Å; L37-L75 HydrophobicContact CD2-CD1 3.55Å; L37-L75 HydrophobicContact CG-CD1 4.47Å; M40-L75 HydrophobicContact CB-CD1 4.22Å; M40-L75 HydrophobicContact CB-CD2 3.99Å; K41-L75 HydrophobicContact CB-CD2 3.71Å; K41-L75 HydrophobicContact CB-CG 4.38Å; K71-L75 WeakPolarHBondContact O-CB 3.37Å; K71-L75 PolarHBondContact O-N 2.86Å; K71-L75 VanDerWaalsContact O-N 3.08Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 2.9Å; L75-I79 HydrophobicContact CG-CD1 4.41Å; L75-I79 VanDerWaalsContact O-CG1 3.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.25Å; L75-I79 PolarHBondContact O-N 2.97Å; L75-I79 VanDerWaalsContact O-N 3.13Å
76N84Confident81.3Confident50 Ų5074 Ų7427%0.26735%0.353SS..Hα-helixtrans-66.3-41173-80.4-23.7000112.3K41 K72 N73 Y74 H78 I79 E80K41-N76 VanDerWaalsContact CE-OD1 3.26Å; K41-N76 WeakPolarHBondContact CE-OD1 3.31Å; K41-N76 PolarHBondContact NZ-OD1 3.04Å; K72-N76 PolarHBondContact O-N 2.78Å; K72-N76 VanDerWaalsContact O-N 3.16Å; K72-N76 PolarHBondContact O-ND2 3.29Å; N73-N76 WeakPolarHBondContact O-CB 3.36Å; N73-N76 PolarHBondContact O-N 2.91Å; N73-N76 VanDerWaalsContact O-N 3.08Å; Y74-N76 VanDerWaalsContact C-N 3.35Å; Y74-N76 PolarHBondContact O-N 2.89Å; N76-H78 VanDerWaalsContact C-N 3.32Å; N76-H78 PolarHBondContact O-N 2.85Å; N76-I79 PolarHBondContact O-N 2.91Å; N76-E80 PolarHBondContact O-N 3.48Å
77Q85.2Confident80.7Confident117 Ų11770.7 Ų70.755%0.54734%0.335SS..Hα-helixtrans-62.2-39.8178.4-68.5-179.732.700111.7N73 Y74 E80 H81N73-Q77 PolarHBondContact O-N 3.36Å; N73-Q77 PolarHBondContact OD1-NE2 3.49Å; Y74-Q77 PolarHBondContact O-N 2.98Å; Q77-E80 PolarHBondContact O-N 3.3Å; Q77-H81 WeakPolarHBondContact O-CB 3.38Å; Q77-H81 PolarHBondContact O-N 3.33Å
78H82.4Confident80.3Confident47 Ų4771.6 Ų71.622%0.21834%0.342CS..Hα-helixtrans-65.8-42.9174-85.7-69.1000113.2I20 L37 Y74 N76 E80 H81 V82I20-H78 HydrophobicContact CG2-CB 4.41Å; L37-H78 HydrophobicContact CD1-CB 4.08Å; L37-H78 HydrophobicContact CD2-CB 4.23Å; Y74-H78 AromaticContact CE1-CD2 3.57Å; Y74-H78 AromaticContact CE1-NE2 3.77Å; Y74-H78 AromaticContact CE2-CD2 3.8Å; Y74-H78 AromaticContact CE2-NE2 3.52Å; Y74-H78 AromaticContact CZ-CD2 3.42Å; Y74-H78 VanDerWaalsContact CZ-CD2 3.42Å; Y74-H78 AromaticContact CZ-NE2 3.15Å; Y74-H78 PolarHBondContact O-N 3.36Å; Y74-H78 VanDerWaalsContact O-N 3.15Å; Y74-H78 PolarHBondContact OH-NE2 3.09Å; N76-H78 VanDerWaalsContact C-N 3.32Å; N76-H78 PolarHBondContact O-N 2.85Å; H78-E80 VanDerWaalsContact C-N 3.32Å; H78-E80 PolarHBondContact O-N 2.97Å; H78-H81 PolarHBondContact O-N 3.02Å; H78-H81 VanDerWaalsContact O-N 3.16Å; H78-V82 WeakPolarHBondContact O-CG2 3.48Å; H78-V82 PolarHBondContact O-N 2.76Å
79I84.7Confident79.7Confident14 Ų1476 Ų767%0.07236%0.359CS..Hα-helixtrans-59-45.5173.7-67.7164.4000110.6L37 K41 L75 N76 H81 V82 Q83L37-I79 HydrophobicContact CB-CD1 4.24Å; L37-I79 HydrophobicContact CB-CG1 3.53Å; L37-I79 HydrophobicContact CD1-CG1 4.36Å; K41-I79 HydrophobicContact CB-CD1 4.26Å; K41-I79 HydrophobicContact CD-CD1 3.36Å; K41-I79 HydrophobicContact CG-CD1 4.49Å; L75-I79 HydrophobicContact CG-CD1 4.41Å; L75-I79 VanDerWaalsContact O-CG1 3.31Å; L75-I79 WeakPolarHBondContact O-CG1 3.25Å; L75-I79 PolarHBondContact O-N 2.97Å; L75-I79 VanDerWaalsContact O-N 3.13Å; N76-I79 PolarHBondContact O-N 2.91Å; I79-H81 VanDerWaalsContact C-N 3.33Å; I79-H81 PolarHBondContact O-N 3.35Å; I79-V82 PolarHBondContact O-N 3.22Å; I79-Q83 VanDerWaalsContact O-CB 3.25Å; I79-Q83 WeakPolarHBondContact O-CB 3.2Å; I79-Q83 PolarHBondContact O-N 3.34Å
80E83.4Confident78.7Confident100 Ų10074.6 Ų74.647%0.46735%0.349SS..Hα-helixtrans-62.9-36.9175.7-82.1-169.1-140.400113.2N76 Q77 H78 K84N76-E80 PolarHBondContact O-N 3.48Å; Q77-E80 PolarHBondContact O-N 3.3Å; H78-E80 VanDerWaalsContact C-N 3.32Å; H78-E80 PolarHBondContact O-N 2.97Å; E80-K84 WeakPolarHBondContact O-CB 3.28Å; E80-K84 WeakPolarHBondContact O-CD 3.42Å; E80-K84 WeakPolarHBondContact O-CE 3.45Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 3.24Å; E80-K84 IonicContact OE2-NZ 3.78Å; E80-K84 PolarHBondContact OE2-NZ 3.21Å
81H84.4Confident77.7Confident121 Ų12170.7 Ų70.756%0.5633%0.33SS*.Hα-helixtrans-66.3-50.1177.3-17489000111Q77 H78 I79 Q83 K84 E85Q77-H81 WeakPolarHBondContact O-CB 3.38Å; Q77-H81 PolarHBondContact O-N 3.33Å; H78-H81 PolarHBondContact O-N 3.02Å; H78-H81 VanDerWaalsContact O-N 3.16Å; I79-H81 VanDerWaalsContact C-N 3.33Å; I79-H81 PolarHBondContact O-N 3.35Å; H81-Q83 VanDerWaalsContact C-N 3.31Å; H81-Q83 PolarHBondContact O-N 2.99Å; H81-K84 WeakPolarHBondContact O-CA 3.48Å; H81-K84 WeakPolarHBondContact O-CB 3.08Å; H81-K84 PolarHBondContact O-N 3Å; H81-K84 VanDerWaalsContact O-N 3.09Å; H81-E85 PolarHBondContact O-N 2.95Å
82V83.9Confident76.7Confident5 Ų567.2 Ų67.23%0.0332%0.322CS..Hα-helixtrans-64.3-36.6178.2175.20000111.4P30 K33 H34 L37 H78 I79 K84 E85 M86P30-V82 HydrophobicContact CB-CG1 4.25Å; P30-V82 WeakPolarHBondContact O-CG1 3.44Å; K33-V82 HydrophobicContact CB-CG1 3.74Å; K33-V82 HydrophobicContact CB-CG2 4.01Å; K33-V82 HydrophobicContact CD-CG1 4.48Å; K33-V82 HydrophobicContact CD-CG2 4.21Å; H34-V82 HydrophobicContact CB-CG1 3.94Å; L37-V82 HydrophobicContact CD1-CB 4.48Å; L37-V82 HydrophobicContact CD1-CG2 3.87Å; H78-V82 WeakPolarHBondContact O-CG2 3.48Å; H78-V82 PolarHBondContact O-N 2.76Å; I79-V82 PolarHBondContact O-N 3.22Å; V82-K84 VanDerWaalsContact C-N 3.31Å; V82-K84 PolarHBondContact O-N 3.37Å; V82-E85 WeakPolarHBondContact O-CB 3.45Å; V82-E85 PolarHBondContact O-N 3.19Å; V82-M86 WeakPolarHBondContact O-CB 3.47Å; V82-M86 PolarHBondContact O-N 3.23Å
83Q79.4Confident75.5Confident71 Ų7166.6 Ų66.633%0.33232%0.321SS..Hα-helixtrans-65.4-34.6173.9-166.1177.627.500112.1I79 H81 N87I79-Q83 VanDerWaalsContact O-CB 3.25Å; I79-Q83 WeakPolarHBondContact O-CB 3.2Å; I79-Q83 PolarHBondContact O-N 3.34Å; H81-Q83 VanDerWaalsContact C-N 3.31Å; H81-Q83 PolarHBondContact O-N 2.99Å; Q83-N87 WeakPolarHBondContact O-CB 3.44Å; Q83-N87 PolarHBondContact O-N 3.15Å; Q83-N87 VanDerWaalsContact O-N 3.07Å; Q83-N87 PolarHBondContact O-ND2 3.3Å
84K79.3Confident74.3Confident119 Ų11964 Ų6452%0.51731%0.307SS..Hα-helixtrans-69-42.5172.2-70.6157.3-163.4160.80111.2E80 H81 V82 N87 Q88E80-K84 WeakPolarHBondContact O-CB 3.28Å; E80-K84 WeakPolarHBondContact O-CD 3.42Å; E80-K84 WeakPolarHBondContact O-CE 3.45Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 3.24Å; E80-K84 IonicContact OE2-NZ 3.78Å; E80-K84 PolarHBondContact OE2-NZ 3.21Å; H81-K84 WeakPolarHBondContact O-CA 3.48Å; H81-K84 WeakPolarHBondContact O-CB 3.08Å; H81-K84 PolarHBondContact O-N 3Å; H81-K84 VanDerWaalsContact O-N 3.09Å; V82-K84 VanDerWaalsContact C-N 3.31Å; V82-K84 PolarHBondContact O-N 3.37Å; K84-N87 PolarHBondContact O-N 3.26Å; K84-Q88 WeakPolarHBondContact O-CB 3.44Å; K84-Q88 PolarHBondContact O-N 3.07Å
85E81.7Confident73.1Confident53 Ų5364.7 Ų64.725%0.24831%0.309CS..Hα-helixtrans-56.3-53.3173.4-170.9-171.3175.800111P30 K33 H81 V82 N87 Q88 Q89P30-E85 HydrophobicContact CG-CG 4.14Å; K33-E85 IonicContact NZ-OE1 2.7Å; K33-E85 IonicContact NZ-OE2 2.94Å; H81-E85 PolarHBondContact O-N 2.95Å; V82-E85 WeakPolarHBondContact O-CB 3.45Å; V82-E85 PolarHBondContact O-N 3.19Å; E85-N87 PolarHBondContact O-N 2.92Å; E85-Q88 PolarHBondContact O-N 2.93Å; E85-Q88 VanDerWaalsContact O-N 3.12Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 2.71Å; E85-Q89 PolarHBondContact OE1-NE2 3.15Å
86M72.1Confident72.1Confident11 Ų1171.6 Ų71.65%0.05434%0.335CS..Hα-helixtrans-58.4-46.9179.7-169.8-178.269.900111.6P30 E31 V82 Q88 Q89 H90P30-M86 HydrophobicContact CB-CB 3.96Å; P30-M86 HydrophobicContact CB-CG 4.38Å; E31-M86 HydrophobicContact CG-SD 4.34Å; V82-M86 WeakPolarHBondContact O-CB 3.47Å; V82-M86 PolarHBondContact O-N 3.23Å; M86-Q88 VanDerWaalsContact C-N 3.32Å; M86-Q88 PolarHBondContact O-N 2.95Å; M86-Q89 PolarHBondContact O-N 2.89Å; M86-H90 PolarHBondContact O-N 3.2Å; M86-H90 PolarHBondContact O-ND1 3.13Å
87N68.6Low71Confident30 Ų3073.9 Ų73.916%0.1634%0.344CS..Hα-helixtrans-63.9-35176.9-70.4-21.3000112.4Q83 K84 E85 S91 S110Q83-N87 WeakPolarHBondContact O-CB 3.44Å; Q83-N87 PolarHBondContact O-N 3.15Å; Q83-N87 VanDerWaalsContact O-N 3.07Å; Q83-N87 PolarHBondContact O-ND2 3.3Å; K84-N87 PolarHBondContact O-N 3.26Å; E85-N87 PolarHBondContact O-N 2.92Å; N87-S91 WeakPolarHBondContact O-CB 3.46Å; N87-S91 PolarHBondContact O-N 3.49Å; N87-S91 VanDerWaalsContact O-N 3.08Å; N87-S91 PolarHBondContact O-OG 3.32Å; N87-S110 PolarHBondContact OD1-O 2.73Å
88Q70.7Confident69.8Low148 Ų14873 Ų7369%0.69234%0.336SS*.Hα-helixtrans-72.4-37.4179.8-168.8170.521.700112.4K84 E85 M86 S91 G92K84-Q88 WeakPolarHBondContact O-CB 3.44Å; K84-Q88 PolarHBondContact O-N 3.07Å; E85-Q88 PolarHBondContact O-N 2.93Å; E85-Q88 VanDerWaalsContact O-N 3.12Å; M86-Q88 VanDerWaalsContact C-N 3.32Å; M86-Q88 PolarHBondContact O-N 2.95Å; Q88-S91 WeakPolarHBondContact CA-OG 3.39Å; Q88-S91 PolarHBondContact O-OG 3.12Å; Q88-G92 PolarHBondContact O-N 2.96Å; Q88-G92 VanDerWaalsContact O-N 3.15Å
89Q64.6Low68.9Low104 Ų10474.6 Ų74.649%0.48634%0.344SS..Hα-helixtrans-65.3-44.4175-66.5-171.424.100111.6E85 M86 G92E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 2.71Å; E85-Q89 PolarHBondContact OE1-NE2 3.15Å; M86-Q89 PolarHBondContact O-N 2.89Å; Q89-G92 PolarHBondContact O-N 2.87Å
90H59.8Low67.8Low82 Ų8280.8 Ų80.838%0.3838%0.377SS..Hα-helixtrans-69.2-46.7-178.7-72.478.8000112.8E31 M86 G92 H93 I94E31-H90 IonicContact OE1-CE1 2.7Å; M86-H90 PolarHBondContact O-N 3.2Å; M86-H90 PolarHBondContact O-ND1 3.13Å; H90-G92 VanDerWaalsContact C-N 3.27Å; H90-G92 PolarHBondContact O-N 3.38Å; H90-H93 PolarHBondContact O-N 3.17Å; H90-H93 VanDerWaalsContact O-N 3.14Å; H90-I94 PolarHBondContact O-N 3.49Å
91S58.8Low67Low22 Ų2283.8 Ų83.815%0.15439%0.391CS..Hα-helixtrans-61.5-33.5175.553.10000112.7N87 Q88 H93 I94 R95N87-S91 WeakPolarHBondContact O-CB 3.46Å; N87-S91 PolarHBondContact O-N 3.49Å; N87-S91 VanDerWaalsContact O-N 3.08Å; N87-S91 PolarHBondContact O-OG 3.32Å; Q88-S91 WeakPolarHBondContact CA-OG 3.39Å; Q88-S91 PolarHBondContact O-OG 3.12Å; S91-H93 PolarHBondContact O-N 2.87Å; S91-I94 PolarHBondContact O-N 3.34Å; S91-R95 VanDerWaalsContact O-CB 3.26Å; S91-R95 WeakPolarHBondContact O-CB 3.42Å; S91-R95 PolarHBondContact O-N 3.19Å
92G57.5Low65.7Low25 Ų2581.4 Ų81.426%0.25840%0.399SS..Hα-helixtrans-69.4-7.9175.700000116Q88 Q89 H90 R96Q88-G92 PolarHBondContact O-N 2.96Å; Q88-G92 VanDerWaalsContact O-N 3.15Å; Q89-G92 PolarHBondContact O-N 2.87Å; H90-G92 VanDerWaalsContact C-N 3.27Å; H90-G92 PolarHBondContact O-N 3.38Å; G92-R96 PolarHBondContact O-NE 3.21Å; G92-R96 PolarHBondContact O-NH2 2.88Å
93H57.6Low64.5Low111 Ų11182.5 Ų82.551%0.51441%0.411SS..Hα-helixtrans-93.3-50.8169.6-163.293.7000110.8H90 S91 R95 R96 Q97H90-H93 PolarHBondContact O-N 3.17Å; H90-H93 VanDerWaalsContact O-N 3.14Å; S91-H93 PolarHBondContact O-N 2.87Å; H93-R95 VanDerWaalsContact C-N 3.28Å; H93-R95 PolarHBondContact O-N 2.96Å; H93-R96 PolarHBondContact O-N 3.45Å; H93-R96 VanDerWaalsContact O-N 3.13Å; H93-Q97 PolarHBondContact CD2-NE2 3.44Å; H93-Q97 PolarHBondContact NE2-NE2 2.94Å; H93-Q97 PolarHBondContact O-N 2.65Å
94I58.3Low63Low30 Ų3089.3 Ų89.315%0.15444%0.44CS..Hα-helixtrans-55.9-43.5177.1-64.2157.3000111H90 S91 R96 Q97 Y98 V108 I122H90-I94 PolarHBondContact O-N 3.49Å; S91-I94 PolarHBondContact O-N 3.34Å; I94-R96 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.02Å; I94-Q97 PolarHBondContact O-N 3.07Å; I94-Y98 HydrophobicContact CG2-CD2 4.11Å; I94-Y98 HydrophobicContact CG2-CE2 4.36Å; I94-Y98 PolarHBondContact O-N 2.8Å; I94-Y98 VanDerWaalsContact O-N 3.12Å; I94-V108 HydrophobicContact CG2-CG1 4.42Å; I94-I122 HydrophobicContact CD1-CD1 3.76Å; I94-I122 HydrophobicContact CD1-CG1 4.08Å; I94-I122 HydrophobicContact CG1-CD1 4.37Å; I94-I122 HydrophobicContact CG2-CD1 4.33Å; I94-I122 HydrophobicContact CG2-CG2 4.37Å
95R56.3Low61.8Low90 Ų9084.5 Ų84.534%0.3442%0.42SS..Hα-helixtrans-56.8-45.4177.7-179.9-177.5177114.225.4112.4S91 H93 Y98 E99 L105 K106S91-R95 VanDerWaalsContact O-CB 3.26Å; S91-R95 WeakPolarHBondContact O-CB 3.42Å; S91-R95 PolarHBondContact O-N 3.19Å; H93-R95 VanDerWaalsContact C-N 3.28Å; H93-R95 PolarHBondContact O-N 2.96Å; R95-Y98 PolarHBondContact O-N 2.68Å; R95-E99 HydrophobicContact CG-CG 4.4Å; R95-E99 IonicContact CZ-OE1 2.72Å; R95-E99 IonicContact NE-OE1 3.54Å; R95-E99 PolarHBondContact NE-OE1 3.47Å; R95-E99 IonicContact NE-OE2 2.82Å; R95-E99 IonicContact NH2-OE1 3.59Å; R95-E99 PolarHBondContact NH2-OE1 2.93Å; R95-E99 WeakPolarHBondContact O-CB 3.23Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 3.38Å; R95-L105 PolarHBondContact NH2-O 3Å; R95-K106 PolarHBondContact NH1-O 3.47Å
96R60.8Low60.5Low153 Ų15390.7 Ų90.758%0.57745%0.446SS*.Hα-helixtrans-66.6-42.4-179.3-88.8177.8-76.7-179.2-5.2111.9G92 H93 I94 Y98 E99 D100G92-R96 PolarHBondContact O-NE 3.21Å; G92-R96 PolarHBondContact O-NH2 2.88Å; H93-R96 PolarHBondContact O-N 3.45Å; H93-R96 VanDerWaalsContact O-N 3.13Å; I94-R96 VanDerWaalsContact C-N 3.35Å; I94-R96 PolarHBondContact O-N 3.02Å; R96-Y98 VanDerWaalsContact C-N 3.31Å; R96-Y98 PolarHBondContact O-N 3.5Å; R96-E99 PolarHBondContact O-N 3.4Å; R96-E99 VanDerWaalsContact O-N 3.17Å; R96-D100 WeakPolarHBondContact O-CB 3.24Å; R96-D100 VanDerWaalsContact O-CG 3.28Å; R96-D100 PolarHBondContact O-N 2.93Å
97Q61Low59.7Low98 Ų9897.2 Ų97.246%0.45848%0.476SS..Hα-helixtrans-57.2-43.8174.8-68.7173-31.300111.8H93 I94 E101H93-Q97 PolarHBondContact CD2-NE2 3.44Å; H93-Q97 PolarHBondContact NE2-NE2 2.94Å; H93-Q97 PolarHBondContact O-N 2.65Å; I94-Q97 PolarHBondContact O-N 3.07Å; Q97-E101 WeakPolarHBondContact O-CG 3.35Å; Q97-E101 PolarHBondContact O-N 3.43Å
98Y59.7Low59.1Low99 Ų9996.6 Ų96.639%0.38847%0.474SS..Hα-helixtrans-71-32.7176.1-90.7-86000114.2I94 R95 R96 G102 G103 L105 I124I94-Y98 HydrophobicContact CG2-CD2 4.11Å; I94-Y98 HydrophobicContact CG2-CE2 4.36Å; I94-Y98 PolarHBondContact O-N 2.8Å; I94-Y98 VanDerWaalsContact O-N 3.12Å; R95-Y98 PolarHBondContact O-N 2.68Å; R96-Y98 VanDerWaalsContact C-N 3.31Å; R96-Y98 PolarHBondContact O-N 3.5Å; Y98-G102 PolarHBondContact O-N 3.13Å; Y98-G103 WeakPolarHBondContact O-CA 3.32Å; Y98-G103 PolarHBondContact O-N 3.22Å; Y98-L105 HydrophobicContact CD1-CD1 3.95Å; Y98-L105 HydrophobicContact CG-CD1 4.02Å; Y98-I124 HydrophobicContact CE2-CD1 4.42Å
99E65Low58.2Low81 Ų8194 Ų9438%0.37946%0.461SS..Hα-helixtrans-70.8-38.7174.1-74.2171.3163.200111.3R95 R96 G102R95-E99 HydrophobicContact CG-CG 4.4Å; R95-E99 IonicContact CZ-OE1 2.72Å; R95-E99 IonicContact NE-OE1 3.54Å; R95-E99 PolarHBondContact NE-OE1 3.47Å; R95-E99 IonicContact NE-OE2 2.82Å; R95-E99 IonicContact NH2-OE1 3.59Å; R95-E99 PolarHBondContact NH2-OE1 2.93Å; R95-E99 WeakPolarHBondContact O-CB 3.23Å; R95-E99 WeakPolarHBondContact O-CG 3.46Å; R95-E99 PolarHBondContact O-N 3.38Å; R96-E99 PolarHBondContact O-N 3.4Å; R96-E99 VanDerWaalsContact O-N 3.17Å; E99-G102 PolarHBondContact O-N 3.32Å; E99-G102 VanDerWaalsContact O-N 3.1Å
100D61.9Low57.6Low143 Ų14389.3 Ų89.377%0.76544%0.44SS*.Hα-helixtrans-68.2-33175.4-72.1-33.7000112.5R96 G102R96-D100 WeakPolarHBondContact O-CB 3.24Å; R96-D100 VanDerWaalsContact O-CG 3.28Å; R96-D100 PolarHBondContact O-N 2.93Å; D100-G102 PolarHBondContact O-N 3.5Å
101E65.7Low57.3Low164 Ų16492.8 Ų92.877%0.76645%0.45SS*.THydrogen-bonded Turntrans-78.22.8170.6-71.3-173.9177.700113.6Q97Q97-E101 WeakPolarHBondContact O-CG 3.35Å; Q97-E101 PolarHBondContact O-N 3.43Å
102G56.1Low56.9Low70 Ų7096 Ų9672%0.72246%0.459SS*.THydrogen-bonded Turntrans85.112.817400000115.4Y98 E99 D100Y98-G102 PolarHBondContact O-N 3.13Å; E99-G102 PolarHBondContact O-N 3.32Å; E99-G102 VanDerWaalsContact O-N 3.1Å; D100-G102 PolarHBondContact O-N 3.5Å
103G59.3Low56.5Low28 Ų2897.4 Ų97.429%0.28946%0.462SS..  trans-83122.3176.500000113Y98 L105Y98-G103 WeakPolarHBondContact O-CA 3.32Å; Y98-G103 PolarHBondContact O-N 3.22Å; G103-L105 PolarHBondContact O-N 3.26Å
104F47.6Very low56.1Low215 Ų21599.3 Ų99.394%0.94348%0.481SS*.  trans-83.284.9179.8-143.1-84.2000112
105L54.1Low55.4Low18 Ų18102.4 Ų102.49%0.09451%0.505CS..  trans-106.9117.7-179.4-93.1163.3000112.6R95 Y98 G103 V108 I124R95-L105 PolarHBondContact NH2-O 3Å; Y98-L105 HydrophobicContact CD1-CD1 3.95Å; Y98-L105 HydrophobicContact CG-CD1 4.02Å; G103-L105 PolarHBondContact O-N 3.26Å; L105-V108 HydrophobicContact CB-CG2 4.4Å; L105-V108 HydrophobicContact CD1-CG2 4.25Å; L105-V108 HydrophobicContact CD2-CG2 4.31Å; L105-I124 HydrophobicContact CD1-CG2 3.8Å; L105-I124 HydrophobicContact CD2-CG2 3.59Å; L105-I124 HydrophobicContact CG-CG2 4.32Å
106K55.9Low54.8Low183 Ų183103.1 Ų103.180%0.79651%0.513SS*.SBendtrans-78.1-34.8-178-167.3169.8-178.4178.30113.1R95R95-K106 PolarHBondContact NH1-O 3.47Å
107E55.5Low54.2Low148 Ų148101.9 Ų101.969%0.69252%0.517SS*.  trans-155.8136.8-171.2-164162-135.700109.9
108V54.9Low53.5Low17 Ų17103 Ų10310%0.10353%0.531CS..EExtended strand (participates in β ladder)trans-139.1123.2179.3175.70000107.2I94 L105 I122I94-V108 HydrophobicContact CG2-CG1 4.42Å; L105-V108 HydrophobicContact CB-CG2 4.4Å; L105-V108 HydrophobicContact CD1-CG2 4.25Å; L105-V108 HydrophobicContact CD2-CG2 4.31Å; V108-I122 HydrophobicContact CG1-CG2 3.51Å
109E51.9Low52.8Low92 Ų9299.9 Ų99.943%0.4352%0.524SS..EExtended strand (participates in β ladder)trans-111.1119.3176.8-165.3-177173.900110R111 L123E109-R111 IonicContact OE1-CZ 3.75Å; E109-R111 IonicContact OE1-NE 3.5Å; E109-R111 PolarHBondContact OE1-NE 2.94Å; E109-R111 IonicContact OE1-NH2 3.68Å; E109-R111 PolarHBondContact OE1-NH2 2.98Å; E109-R111 IonicContact OE2-NH2 2.77Å; E109-L123 PolarHBondContact N-O 3.29Å; E109-L123 PolarHBondContact O-N 2.89Å
110S52.9Low52.3Low6 Ų6100.6 Ų100.64%0.04253%0.527CS..EExtended strand (participates in β ladder)trans-107.4137.5174.154.20000110.3N87 Y121N87-S110 PolarHBondContact OD1-O 2.73Å; S110-Y121 WeakPolarHBondContact CA-O 3.19Å
111R52.8Low51.8Low155 Ų155102 Ų10259%0.58552%0.523SS*.EExtended strand (participates in β ladder)trans-135.2132.8174.1-63.1-173.6-178.7-166.83.6110.5E109 Y121E109-R111 IonicContact OE1-CZ 3.75Å; E109-R111 IonicContact OE1-NE 3.5Å; E109-R111 PolarHBondContact OE1-NE 2.94Å; E109-R111 IonicContact OE1-NH2 3.68Å; E109-R111 PolarHBondContact OE1-NH2 2.98Å; E109-R111 IonicContact OE2-NH2 2.77Å; R111-Y121 PolarHBondContact N-O 2.91Å
112R49.4Very low51.3Low90 Ų9097.8 Ų97.834%0.3451%0.505SS..EExtended strand (participates in β ladder)trans-72.2139.8171.1-178.1173171.8-170.9-1.1110.1D117R112-D117 IonicContact CZ-OD1 3.07Å; R112-D117 IonicContact NH2-OD1 2.72Å; R112-D117 PolarHBondContact NH2-OD1 2.95Å
113V49.8Very low50.9Low55 Ų5599.9 Ų99.933%0.33350%0.499SS..  trans-96.3140.7174.8177.10000109.3S115 Y121V113-S115 PolarHBondContact O-N 3.34Å; V113-S115 VanDerWaalsContact O-N 3.12Å; V113-Y121 HydrophobicContact CG2-CD2 3.55Å; V113-Y121 HydrophobicContact CG2-CE2 3.83Å
114V49.4Very low50.5Low150 Ų150102.1 Ų102.191%0.90950%0.504SS*.THydrogen-bonded Turntrans-81.211.5-165.9-164.60000113.1
115S43.8Very low50.5Low95 Ų95100.1 Ų100.166%0.66449%0.494SS*.THydrogen-bonded Turntrans-110.2-19.3-177.558.10000115V113V113-S115 PolarHBondContact O-N 3.34Å; V113-S115 VanDerWaalsContact O-N 3.12Å
116E42.9Very low49.8Very low106 Ų106102.1 Ų102.150%0.49552%0.52SS..  trans-148.6126.3-173.4-67.2178.917800111T118 S119E116-T118 PolarHBondContact O-N 3.46Å; E116-S119 PolarHBondContact O-N 3.12Å; E116-S119 WeakPolarHBondContact OE2-CB 3.28Å; E116-S119 PolarHBondContact OE2-OG 3.49Å
117D48.7Very low49.2Very low126 Ų126101.4 Ų101.467%0.67452%0.523SS*.THydrogen-bonded Turntrans-72-17.1-176.7-73.7-18.4000114.3R112R112-D117 IonicContact CZ-OD1 3.07Å; R112-D117 IonicContact NH2-OD1 2.72Å; R112-D117 PolarHBondContact NH2-OD1 2.95Å
118T45.4Very low48.4Very low121 Ų121103.9 Ų103.974%0.74253%0.534SS*.THydrogen-bonded Turntrans-92.5-19.6-179.247.40000113.8E116 H120E116-T118 PolarHBondContact O-N 3.46Å; T118-H120 PolarHBondContact O-ND1 3.13Å
119S46.3Very low47.6Very low35 Ų35107.4 Ų107.425%0.24557%0.566CS.*  trans-106.9119.2-158.6-59.10000112.9E116E116-S119 PolarHBondContact O-N 3.12Å; E116-S119 WeakPolarHBondContact OE2-CB 3.28Å; E116-S119 PolarHBondContact OE2-OG 3.49Å
120H54Low46.7Very low96 Ų96112.4 Ų112.444%0.44459%0.586SS.*EExtended strand (participates in β ladder)trans-125.9133.8-171.2-6877.7000111.3T118T118-H120 PolarHBondContact O-ND1 3.13Å
121Y51.4Low45.7Very low171 Ų171118.6 Ų118.667%0.67162%0.623SS**EExtended strand (participates in β ladder)trans-103.7134.8172.7-72.1-98.5000110.5S110 R111 V113S110-Y121 WeakPolarHBondContact CA-O 3.19Å; R111-Y121 PolarHBondContact N-O 2.91Å; V113-Y121 HydrophobicContact CG2-CD2 3.55Å; V113-Y121 HydrophobicContact CG2-CE2 3.83Å
122I54.3Low44.8Very low77 Ų77117.4 Ų117.440%0.39563%0.633SS.*EExtended strand (participates in β ladder)trans-118.5115.6-179.2-52.9169.7000108I94 V108 I124I94-I122 HydrophobicContact CD1-CD1 3.76Å; I94-I122 HydrophobicContact CD1-CG1 4.08Å; I94-I122 HydrophobicContact CG1-CD1 4.37Å; I94-I122 HydrophobicContact CG2-CD1 4.33Å; I94-I122 HydrophobicContact CG2-CG2 4.37Å; V108-I122 HydrophobicContact CG1-CG2 3.51Å; I122-I124 HydrophobicContact CG2-CD1 4.3Å; I122-I124 HydrophobicContact CG2-CG1 3.81Å; I122-I124 PolarHBondContact O-N 3.45Å
123L48.1Very low44Very low113 Ų113117.5 Ų117.559%0.59265%0.653SS**EExtended strand (participates in β ladder)trans-91.4102.5176.7-175.361.9000110.2E109E109-L123 PolarHBondContact N-O 3.29Å; E109-L123 PolarHBondContact O-N 2.89Å
124I52Low43.1Very low76 Ų76124 Ų12439%0.3968%0.68SS.*EExtended strand (participates in β ladder)trans-95.3104.4-179.1-57.1-176.2000109.7Y98 L105 I122 G126Y98-I124 HydrophobicContact CE2-CD1 4.42Å; L105-I124 HydrophobicContact CD1-CG2 3.8Å; L105-I124 HydrophobicContact CD2-CG2 3.59Å; L105-I124 HydrophobicContact CG-CG2 4.32Å; I122-I124 HydrophobicContact CG2-CD1 4.3Å; I122-I124 HydrophobicContact CG2-CG1 3.81Å; I122-I124 PolarHBondContact O-N 3.45Å; I124-G126 PolarHBondContact O-N 3.47Å
125K46Very low42.5Very low172 Ų172123 Ų12375%0.74867%0.674SS**  trans-97.369.2-173.6-161.1173.7-176.3177.80112.6
126G40.5Very low41.7Very low61 Ų61125.6 Ų125.663%0.62968%0.68SS**  trans-74138.5179.600000114.2I124I124-G126 PolarHBondContact O-N 3.47Å
127I43.6Very low41.1Very low168 Ų168125 Ų12586%0.86269%0.688SS**  trans-104.6113.6166.440.5169.3000109.6A129I127-A129 PolarHBondContact O-N 2.87Å
128Q38.7Very low40.2Very low199 Ų199127.7 Ų127.793%0.9370%0.697SS**  trans-74109.7172.7-69.3-1726.300109.9K130Q128-K130 PolarHBondContact O-N 3.03Å; Q128-K130 VanDerWaalsContact O-N 3.13Å
129A37.3Very low39.4Very low92 Ų92127.6 Ų127.676%0.7670%0.701SS**  trans-71.2103.8173.500000109.9I127 T131I127-A129 PolarHBondContact O-N 2.87Å; A129-T131 PolarHBondContact O-N 2.99Å; A129-T131 VanDerWaalsContact O-N 3.08Å
130K32.8Very low38.5Very low197 Ų197134.1 Ų134.186%0.85773%0.732SS**  trans-71.6101.3177.8-170.8177-175.2179.90109.8Q128 V132Q128-K130 PolarHBondContact O-N 3.03Å; Q128-K130 VanDerWaalsContact O-N 3.13Å; K130-V132 PolarHBondContact O-N 3.18Å
131T33Very low37.7Very low135 Ų135135.5 Ų135.583%0.82875%0.75SS**  trans-67.3115.7-179.136.80000111.8A129A129-T131 PolarHBondContact O-N 2.99Å; A129-T131 VanDerWaalsContact O-N 3.08Å
132V33.4Very low36.4Very low131 Ų131132.1 Ų132.179%0.79475%0.751SS**  trans-109.5122.9158.7179.70000106K130K130-V132 PolarHBondContact O-N 3.18Å
133A33.1Very low35.3Very low91 Ų91134 Ų13475%0.75277%0.771SS**  trans-124.2104.9178.300000108.8
134E30.2Very low34.5Very low191 Ų191132.9 Ų132.989%0.89377%0.772SS**  trans-71.3161.4159.3-71.9-172.4121.700109.9
135V36.4Very low33.5Very low131 Ų131137.7 Ų137.779%0.79479%0.791SS**  trans-110.3111.8-177.1175.20000109.4
136D27.8Very low32.8Very low148 Ų148137.8 Ų137.879%0.79180%0.796SS**  trans171.4151.1146.7-95.4-27.6000110.3
137S30.4Very low32.2Very low95 Ų95144 Ų14466%0.66481%0.808SS**  cis-160.2157.2-26.3-119.30000109.7
138E28.6Very low31.3Very low182 Ų182138.7 Ų138.785%0.8580%0.795SS**  trans36.1108.9165.9-56.6-165.6156.500120.7
139S29.4Very low30.8Very low119 Ų119136.5 Ų136.583%0.83279%0.787SS**  173.7136.2103.746.60000114.6
140L27.1Very low30.4Very low172 Ų172135.9 Ų135.990%0.90178%0.777SS**  trans-121.4142.4162.3-72.7174.5000107.6
141P36.9Very low30.2Very low125 Ų125134.5 Ų134.581%0.81277%0.771SS**  -149.7174.796.133.5-14.3000114.2
142S24.6Very low30Very low99 Ų99134.8 Ų134.869%0.69277%0.767SS**  cis-177.7132.7-27.7171.30000110
143S30.5Very low29.8Very low117 Ų117135.2 Ų135.282%0.81877%0.77SS**  trans68.1168.1158.480.60000117.6
144S33Very low29.6Very low89 Ų89139.8 Ų139.862%0.62277%0.773SS**  cis-156.8150.913.883.10000116.1
145K31.2Very low29.4Very low178 Ų178136.5 Ų136.577%0.77477%0.771SS**  trans63.6131.8151.4-65.4170.1179.2175.10118.9
146M29.9Very low28.8Very low174 Ų174135.3 Ų135.386%0.85777%0.769SS**  cis8112436.8-73.7-167.8137.700117
147H27.9Very low29.8Very low190 Ų190133.5 Ų133.588%0.8877%0.765SS**  -176.2150.2128.9-83.8-62.1000108
148G25.7Very low29.5Very low58 Ų58134.5 Ų134.560%0.59877%0.77SS**  cis155.3158-9.500000113.6
149M27Very low29.5Very low153 Ų153132.7 Ų132.775%0.75476%0.762SS**  trans82.2140.9172-42-65.483.600116.6F151M149-F151 HydrophobicContact SD-CE2 4.49Å
150S29.3Very low29.3Very low79 Ų79135.3 Ų135.355%0.55276%0.759SS**  cis801476.980.60000118.4
151F29.4Very low29.2Very low168 Ų168134.4 Ų134.474%0.73775%0.754SS**  cis-150.8165.421.1-60.1-97.9000115.1M149M149-F151 HydrophobicContact SD-CE2 4.49Å
152D29.1Very low28.6Very low140 Ų140137 Ų13775%0.74975%0.752SS**  trans65.1142.2143.9-88.3-63.1000125
153V29.2Very low28.5Very low140 Ų140138.2 Ų138.285%0.84876%0.756SS**  175.5157.1111.51560000113.3
154K27.6Very low28.3Very low188 Ų188140 Ų14082%0.81775%0.751SS**  trans-74.8167-171.7-65.8153.4-174.7166.90114
155S26.7Very low27.9Very low121 Ų121143.3 Ų143.385%0.84675%0.754SS**  cis-164.3-175.949.259.30000117
156S23.8Very low27.7Very low107 Ų107142.4 Ų142.475%0.74875%0.753SS**  trans-113.6-171.7-172.7610000112.1
157P48.3Very low28.4Very low110 Ų110139.4 Ų139.471%0.71475%0.746SS**  cis-148.8-168.916.143.2-20.1000119.7
158C24.9Very low28.3Very low115 Ų115138.1 Ų138.178%0.77775%0.746SS**  trans86.4145159.5-63.40000121
159E27.6Very low28.6Very low145 Ų145139.6 Ų139.668%0.67875%0.753SS**  cis-159.3128.9-41.4-142.1-170.7154.800113.4
160K26.1Very low29.3Very low174 Ų174138.9 Ų138.976%0.75776%0.757SS**  trans40.4134.8154.5-70.4166.3-171.6155.10122.9
161L24.8Very low30.3Very low152 Ų152140.3 Ų140.380%0.79677%0.765SS**  -168.2119.4118.1-103.6164.1000115.5
162K24Very low31.3Very low180 Ų180136.8 Ų136.878%0.78376%0.758SS**  trans38.8113.5147.2-70.7176.5-175179.80125
163T23.2Very low32.8Very low125 Ų125133 Ų13377%0.76774%0.743SS**  26.8134119.146.40000124.6
164E24.8Very low34Very low155 Ų155131.4 Ų131.472%0.72474%0.735SS**  136.5136124.8-98.8-170-129.600118.1
165K24.8Very low35.4Very low157 Ų157132.8 Ų132.868%0.68374%0.736SS**  trans65.2153.3160-69.9-163.3177.979.50118.9
166E27.1Very low36.9Very low159 Ų159130.3 Ų130.374%0.74372%0.715SS**  cis148.1172.3-3.3-137.1178.4-117.600104.4
167P44.6Very low38.4Very low111 Ų111129.9 Ų129.972%0.72170%0.704SS**  cis-101.3170-15.49.316.8000112.5
168D27.2Very low38.7Very low163 Ų163130.4 Ų130.487%0.87270%0.7SS**  cis81.5127.846.2-155.132000114.3
169A30.6Very low40Very low90 Ų90127.9 Ų127.974%0.74469%0.688SS**  trans-136.6141.1-167.900000112.6
170T42.1Very low40.8Very low138 Ų138125.5 Ų125.585%0.84768%0.678SS**PPolyproline II helixtrans-77.1141.3-158.9-46.90000114.5
171P50.4Low41.9Very low109 Ų109123.3 Ų123.371%0.70867%0.67SS**PPolyproline II helixtrans-69.3154.9178.627.2-36.7000114.6
172P51.4Low43.2Very low93 Ų93119.4 Ų119.460%0.60466%0.66SS**PPolyproline II helixtrans-70.1158.5-175.929.2-36.8000114
173S59.8Low44.4Very low60 Ų60114.6 Ų114.642%0.4265%0.654SS.*PPolyproline II helixtrans-59.3146.6-171.694.80000114.1R175 T176 L177S173-R175 PolarHBondContact O-N 3.32Å; S173-R175 VanDerWaalsContact O-N 3.09Å; S173-R175 PolarHBondContact OG-N 3.42Å; S173-T176 WeakPolarHBondContact O-CB 3.35Å; S173-T176 PolarHBondContact O-N 3.02Å; S173-T176 VanDerWaalsContact O-N 3.07Å; S173-T176 PolarHBondContact OG-N 2.83Å; S173-T176 PolarHBondContact OG-OG1 2.94Å; S173-T176 VanDerWaalsContact OG-OG1 3.07Å; S173-L177 PolarHBondContact O-N 2.85Å
174P55.3Low45.4Very low107 Ų107116 Ų11670%0.69566%0.656SS**Hα-helixtrans-64.1-18.2-179.725.7-35000113.6L178P174-L178 PolarHBondContact O-N 2.97Å
175R55.1Low46.3Very low218 Ų218115.6 Ų115.682%0.82366%0.658SS**Hα-helixtrans-74.9-33.4176.8-155.6171.6-168.4151.21.4111.8S173 A179S173-R175 PolarHBondContact O-N 3.32Å; S173-R175 VanDerWaalsContact O-N 3.09Å; S173-R175 PolarHBondContact OG-N 3.42Å; R175-A179 PolarHBondContact O-N 2.82Å
176T60Low46.8Very low68 Ų68110.9 Ų110.942%0.41765%0.654SS.*Hα-helixtrans-69.3-42.7174.1-420000110.8S173 L178 A179 M180S173-T176 WeakPolarHBondContact O-CB 3.35Å; S173-T176 PolarHBondContact O-N 3.02Å; S173-T176 VanDerWaalsContact O-N 3.07Å; S173-T176 PolarHBondContact OG-N 2.83Å; S173-T176 PolarHBondContact OG-OG1 2.94Å; S173-T176 VanDerWaalsContact OG-OG1 3.07Å; T176-L178 PolarHBondContact O-N 3.04Å; T176-A179 PolarHBondContact O-N 3.06Å; T176-M180 HydrophobicContact CG2-CE 4.27Å; T176-M180 WeakPolarHBondContact O-CG 3.34Å; T176-M180 PolarHBondContact O-N 3.16Å
177L53.7Low47.1Very low99 Ų99109 Ų10952%0.51866%0.658SS.*Hα-helixtrans-58.2-44.8174.1-95.6165.9000112.4S173 A179 M180 Q181S173-L177 PolarHBondContact O-N 2.85Å; L177-A179 VanDerWaalsContact C-N 3.33Å; L177-A179 PolarHBondContact O-N 3.15Å; L177-M180 HydrophobicContact CD2-CE 4.2Å; L177-M180 HydrophobicContact CG-CE 4.33Å; L177-M180 PolarHBondContact O-N 3.36Å; L177-Q181 WeakPolarHBondContact O-CB 3.36Å; L177-Q181 PolarHBondContact O-N 3.41Å
178L56.3Low46.5Very low120 Ų120109.6 Ų109.663%0.62867%0.665SS**Hα-helixtrans-63.8-36.4178.5-124.5165.6000112.6P174 T176 A182P174-L178 PolarHBondContact O-N 2.97Å; T176-L178 PolarHBondContact O-N 3.04Å; L178-A182 PolarHBondContact O-N 2.92Å; L178-A182 VanDerWaalsContact O-N 3.09Å
179A50.5Low46.7Very low63 Ų63107 Ų10752%0.52166%0.659SS.*Hα-helixtrans-68.2-44.7175.100000112.4R175 T176 L177 Q181 A182 A183R175-A179 PolarHBondContact O-N 2.82Å; T176-A179 PolarHBondContact O-N 3.06Å; L177-A179 VanDerWaalsContact C-N 3.33Å; L177-A179 PolarHBondContact O-N 3.15Å; A179-Q181 VanDerWaalsContact C-N 3.34Å; A179-Q181 PolarHBondContact O-N 3.04Å; A179-A182 PolarHBondContact O-N 2.91Å; A179-A183 PolarHBondContact O-N 2.87Å
180M44.7Very low46.6Very low95 Ų95111.2 Ų111.247%0.46866%0.664SS.*Hα-helixtrans-64-39175.8-67.4-174.7-64.800111.9T176 L177 A182 A183 L184T176-M180 HydrophobicContact CG2-CE 4.27Å; T176-M180 WeakPolarHBondContact O-CG 3.34Å; T176-M180 PolarHBondContact O-N 3.16Å; L177-M180 HydrophobicContact CD2-CE 4.2Å; L177-M180 HydrophobicContact CG-CE 4.33Å; L177-M180 PolarHBondContact O-N 3.36Å; M180-A182 VanDerWaalsContact C-N 3.33Å; M180-A182 PolarHBondContact O-N 3.32Å; M180-A183 PolarHBondContact O-N 3.39Å; M180-L184 WeakPolarHBondContact O-CG 3.36Å; M180-L184 PolarHBondContact O-N 2.84Å; M180-L184 VanDerWaalsContact O-N 3.09Å
181Q49.8Very low46.1Very low127 Ų127113.8 Ų113.859%0.59367%0.666SS**Hα-helixtrans-67.6-32.4177.6-166.9170.423.700112.6L177 A179L177-Q181 WeakPolarHBondContact O-CB 3.36Å; L177-Q181 PolarHBondContact O-N 3.41Å; A179-Q181 VanDerWaalsContact C-N 3.34Å; A179-Q181 PolarHBondContact O-N 3.04Å
182A52.6Low45.3Very low70 Ų70116.7 Ų116.758%0.57967%0.67SS**Hα-helixtrans-70.7-39.917200000112.4L178 A179 M180 L184 L185L178-A182 PolarHBondContact O-N 2.92Å; L178-A182 VanDerWaalsContact O-N 3.09Å; A179-A182 PolarHBondContact O-N 2.91Å; M180-A182 VanDerWaalsContact C-N 3.33Å; M180-A182 PolarHBondContact O-N 3.32Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 2.75Å; A182-L185 PolarHBondContact O-N 2.89Å
183A49.1Very low44Very low80 Ų80119.7 Ų119.766%0.66168%0.68SS**Hα-helixtrans-66.9-31.6178.700000113.4A179 M180 L185A179-A183 PolarHBondContact O-N 2.87Å; M180-A183 PolarHBondContact O-N 3.39Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 2.72Å
184L44.8Very low42.3Very low153 Ų153125.1 Ų125.180%0.80170%0.699SS**THydrogen-bonded Turntrans-79.5-1179.3-73.5168.4000114.8M180 A182M180-L184 WeakPolarHBondContact O-CG 3.36Å; M180-L184 PolarHBondContact O-N 2.84Å; M180-L184 VanDerWaalsContact O-N 3.09Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 2.75Å
185L43.3Very low41Very low148 Ų148125.4 Ų125.478%0.77570%0.704SS**THydrogen-bonded Turntrans-118.711-173.3-82171.7000114.9A182 A183A182-L185 PolarHBondContact O-N 2.89Å; A183-L185 VanDerWaalsContact C-N 3.29Å; A183-L185 PolarHBondContact O-N 2.72Å
186G35.2Very low39.8Very low57 Ų57123.3 Ų123.359%0.58870%0.703SS**  trans-140.279.1-173.200000115.6
187S33Very low38.3Very low120 Ų120126.3 Ų126.384%0.83972%0.717SS**  trans-162.3146.8162.9-80.20000111.7
188S32.2Very low37.3Very low123 Ų123131.6 Ų131.686%0.8673%0.73SS**  trans69.7150.3-173.3-137.50000114.6
189S30.4Very low36Very low108 Ų108136.2 Ų136.276%0.75574%0.739SS**  cis-138.9-16610.966.80000114
190E29.5Very low35.1Very low180 Ų180141.3 Ų141.384%0.84175%0.752SS**  trans-87.8165.2-166.2-61.2158.1124.800115.8
191E30.3Very low34.4Very low192 Ų192140.7 Ų140.790%0.89776%0.762SS**  trans37.5168.5151.9-63.7-159.3159.100124.6
192E33.8Very low33.3Very low170 Ų170146.8 Ų146.879%0.79478%0.779SS**  trans-55.6146.5-168.3-52.9-178.5135.400116.8
193L25.7Very low32.1Very low156 Ų156147.1 Ų147.182%0.81779%0.789SS**  175.2-175.5105.1-90.7178.9000113.5
194E24.1Very low31.2Very low173 Ų173154.8 Ų154.881%0.80880%0.801SS**  trans-97.5173.6-156.2-51.7179.7109.100117.7
195S27.9Very low30.4Very low113 Ų113155 Ų15579%0.7980%0.803SS**  trans75.4127.9158.575.20000117.5
196E29.9Very low29.8Very low174 Ų174152.6 Ų152.681%0.81381%0.805SS**  cis103.5111.923.9-169.6-165.8-129.700113.3
197N28.4Very low30.2Very low131 Ų131156 Ų15670%0.70182%0.816SS**  trans176145.9146.2-105.1-81.2000108.5
198R31Very low29.8Very low211 Ų211154.8 Ų154.880%0.79681%0.813SS**  cis-163.6164.61.9-157.8170.7-153.4-148.81.7111.9
199R29.6Very low29.7Very low216 Ų216153.1 Ų153.182%0.81581%0.808SS**  trans93.4137.6162.1-49.8-175.8-164.9-1644.2115.9
200Q32.6Very low29.8Very low171 Ų171154.5 Ų154.580%0.79981%0.811SS**  cis-172.9152.8-16.1-110.8169.8-92.100106.1
201A29.3Very low29.8Very low81 Ų81152.7 Ų152.767%0.66981%0.807SS**  cis-164.1172.7-4.400000110.5
202R27.1Very low30Very low256 Ų256152.1 Ų152.197%0.96680%0.804SS**  trans75.8123.5176.3-57.9178.9170.6-119.31.8115.8
203G28Very low30.2Very low76 Ų76147.8 Ų147.878%0.78481%0.805SS**  cis139.9166.6-24.600000117.3
204R30Very low30.8Very low241 Ų241146.2 Ų146.291%0.90981%0.808SS**  trans92.6131.4176.7-167.4175.4-98.7-151-5.5115.3
205N27.8Very low32.1Very low157 Ų157144.4 Ų144.484%0.8480%0.802SS**  trans-115.1151.7-162.3-13-33.5000111.3
206A30.4Very low33.6Very low99 Ų99142.2 Ų142.282%0.81879%0.787SS**  trans-172.9154.3144.200000110.1
207P42.2Very low34.6Very low127 Ų127138.6 Ų138.683%0.82578%0.778SS**  trans-116174.6-168.242.1-33.9000116.5
208A26Very low35.9Very low95 Ų95142.4 Ų142.479%0.78578%0.783SS**  trans105.3127.7148.100000120.9
209A28.9Very low37.6Very low89 Ų89135.7 Ų135.774%0.73677%0.765SS**  trans73.7146.4148.400000121.8
210V33Very low38.8Very low136 Ų136130.8 Ų130.882%0.82475%0.754SS**  trans64.6145170.2-126.10000113.2
211D30.2Very low40.2Very low142 Ų142126.6 Ų126.676%0.75974%0.744SS**  cis-157.5-176.430-158.81.9000113.3
212E33.8Very low41.6Very low180 Ų180125.8 Ų125.884%0.84174%0.737SS**  trans-67.3168.2-176.9-60.6-172.1131.800115.5
213G39.1Very low43.3Very low79 Ų79118.1 Ų118.181%0.81472%0.715SS**  trans-80.5-153.4-177.200000115.3
214S38.2Very low44.4Very low124 Ų124121.2 Ų121.287%0.86771%0.707SS**  trans-146.6129.2173.953.50000113.1
215I50.2Low45.5Very low135 Ų135119.8 Ų119.869%0.69270%0.701SS**  trans-113.2146.7170.7-67.9176.6000108.1
216S59Low46.7Very low67 Ų67116.3 Ų116.347%0.46969%0.694SS.*  trans-57.2131.3-170.4-175.70000113.5R218 T219S216-R218 PolarHBondContact O-N 3.09Å; S216-T219 PolarHBondContact O-N 3.34Å
217P50.8Low47.9Very low97 Ų97117.9 Ų117.963%0.6369%0.688SS**Hα-helixtrans-56.3-22.7179.9-28.635.5000115.3S221P217-S221 WeakPolarHBondContact O-CB 3.29Å; P217-S221 PolarHBondContact O-N 3.27Å; P217-S221 VanDerWaalsContact O-N 3.16Å; P217-S221 PolarHBondContact O-OG 2.9Å
218R56.5Low48Very low212 Ų212117.5 Ų117.580%0.868%0.679SS**Hα-helixtrans-69.3-32.6176.5-73.6-177.2171.7167-2.1112.8S216 S221 A222S216-R218 PolarHBondContact O-N 3.09Å; R218-S221 PolarHBondContact O-N 3.21Å; R218-A222 PolarHBondContact O-N 3.22Å; R218-A222 VanDerWaalsContact O-N 3.15Å
219T66.9Low49Very low69 Ų69119.8 Ų119.842%0.42368%0.678SS.*Hα-helixtrans-68.6-47.5179.1-48.70000110.8S216 S221 A222 I223S216-T219 PolarHBondContact O-N 3.34Å; T219-S221 VanDerWaalsContact C-N 3.3Å; T219-S221 PolarHBondContact O-N 3.32Å; T219-A222 PolarHBondContact O-N 3.11Å; T219-I223 HydrophobicContact CG2-CD1 4.1Å; T219-I223 WeakPolarHBondContact O-CG1 3.45Å; T219-I223 PolarHBondContact O-N 3.08Å; T219-I223 VanDerWaalsContact O-N 3.08Å
220L55.2Low49.6Very low113 Ų113123 Ų12359%0.59268%0.683SS**Hα-helixtrans-62.6-37176-65.9173.8000112.3A222 K224L220-A222 VanDerWaalsContact C-N 3.3Å; L220-A222 PolarHBondContact O-N 3.37Å; L220-K224 WeakPolarHBondContact O-CB 3.33Å; L220-K224 PolarHBondContact O-N 3.13Å
221S61.3Low50Low83 Ų83124.8 Ų124.858%0.5868%0.682SS**Hα-helixtrans-68.7-26.2177.6-56.90000113.5P217 R218 T219P217-S221 WeakPolarHBondContact O-CB 3.29Å; P217-S221 PolarHBondContact O-N 3.27Å; P217-S221 VanDerWaalsContact O-N 3.16Å; P217-S221 PolarHBondContact O-OG 2.9Å; R218-S221 PolarHBondContact O-N 3.21Å; T219-S221 VanDerWaalsContact C-N 3.3Å; T219-S221 PolarHBondContact O-N 3.32Å
222A58.3Low50.3Low64 Ų64125.7 Ų125.753%0.52969%0.687SS.*Hα-helixtrans-79.7-47.9174.400000111.3R218 T219 L220 K224 R225 A226R218-A222 PolarHBondContact O-N 3.22Å; R218-A222 VanDerWaalsContact O-N 3.15Å; T219-A222 PolarHBondContact O-N 3.11Å; L220-A222 VanDerWaalsContact C-N 3.3Å; L220-A222 PolarHBondContact O-N 3.37Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 2.63Å; A222-R225 PolarHBondContact O-N 2.89Å; A222-R225 VanDerWaalsContact O-N 3.1Å; A222-A226 PolarHBondContact O-N 3.18Å
223I62.3Low50.6Low96 Ų96123 Ų12349%0.49268%0.682SS.*Hα-helixtrans-57.1-45.4178.4-67.2165.7000110.7T219 R225 A226 L227T219-I223 HydrophobicContact CG2-CD1 4.1Å; T219-I223 WeakPolarHBondContact O-CG1 3.45Å; T219-I223 PolarHBondContact O-N 3.08Å; T219-I223 VanDerWaalsContact O-N 3.08Å; I223-R225 PolarHBondContact O-N 2.81Å; I223-A226 PolarHBondContact O-N 2.88Å; I223-L227 HydrophobicContact CG2-CD1 4.24Å
224K52.4Low50.2Low141 Ų141128.8 Ų128.861%0.61369%0.685SS**G310 helixtrans-65.1-24.4-179.3-167.6165.3-175.1175.60113.7L220 A222L220-K224 WeakPolarHBondContact O-CB 3.33Å; L220-K224 PolarHBondContact O-N 3.13Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 2.63Å
225R52.6Low49.8Very low211 Ų211129.2 Ų129.280%0.79668%0.683SS**G310 helixtrans-86.5-8.7179.5-160.1171.5-172.4155.45.7113.9A222 I223A222-R225 PolarHBondContact O-N 2.89Å; A222-R225 VanDerWaalsContact O-N 3.1Å; I223-R225 PolarHBondContact O-N 2.81Å
226A53.9Low48.7Very low83 Ų83129.2 Ų129.269%0.68669%0.693SS**G310 helixtrans-97.811.7176.200000112.9A222 I223A222-A226 PolarHBondContact O-N 3.18Å; I223-A226 PolarHBondContact O-N 2.88Å
227L54.5Low47.4Very low133 Ų133131.2 Ų131.270%0.69671%0.713SS**SBendtrans-136.9-0.8-172.4-65173.5000113.9I223I223-L227 HydrophobicContact CG2-CD1 4.24Å
228D44.8Very low46.4Very low118 Ų118129.3 Ų129.363%0.63171%0.712SS**SBendtrans-103.90.6-176.4-78-13.6000112.9
229D46.5Very low45.3Very low144 Ų144127.2 Ų127.277%0.7772%0.716SS**SBendtrans-124.374.4177.6-79.2-48.4000110.8
230D41.5Very low43.8Very low157 Ų157130.8 Ų130.884%0.8473%0.733SS**SBendtrans-177.8147.3141.5-100-20000112.8
231E40.7Very low43Very low173 Ų173129.9 Ų129.981%0.80873%0.732SS**  trans59.8103.3171.7-63.3-56.3124.200120.4
232D37.8Very low41.9Very low160 Ų160133.9 Ų133.986%0.85674%0.741SS**  trans-104.8141.9166.7-158.1-7.2000111
233V39.3Very low40.8Very low123 Ų123137.3 Ų137.375%0.74576%0.756SS**  trans-99.6136.7-149.8173.10000114.8
234K31.7Very low39.2Very low202 Ų202136.3 Ų136.388%0.87877%0.769SS**  trans-161.5138.7143.9-122155.9-170.4160.90119.6
235V29.1Very low38.1Very low133 Ų133133 Ų13381%0.80678%0.775SS**  trans-128.8139.2158.9173.50000108.3
236C28.2Very low38Very low134 Ų134129.8 Ų129.891%0.90578%0.782SS**  trans-165.1155.8154.6-101.60000110.6
237A31.6Very low36.9Very low109 Ų109129.3 Ų129.390%0.90179%0.785SS**  trans-119179-155.200000115.8
238G28.3Very low36Very low58 Ų58127.1 Ų127.160%0.59879%0.786SS**  trans123.4147.2155.400000115.3
239D34.5Very low35.3Very low168 Ų168130 Ų13090%0.89880%0.795SS**  cis-163.2161-10.2-62-62.9000105.4
240D35Very low34.6Very low143 Ų143130.2 Ų130.277%0.76579%0.792SS**  cis-153.4-158.4-4-167.722.4000105
241V38.5Very low33.8Very low95 Ų95128.5 Ų128.558%0.57678%0.78SS**  cis-155145.29.7-163.40000108.3
242Q38.4Very low33.1Very low167 Ų167128.9 Ų128.978%0.7877%0.774SS**  trans63.7152.9163-83.5160.5113.200117.2
243T35Very low32.6Very low135 Ų135127.7 Ų127.783%0.82877%0.767SS**  cis-159.4167.9-23.411.80000106.7
244G28.8Very low32Very low75 Ų75129 Ų12977%0.77377%0.769SS**  cis-166.6-124.710.200000111.1
245G29.6Very low31.8Very low72 Ų72123.8 Ų123.874%0.74276%0.759SS**  trans175.2-154.2-178.600000114
246P50.6Low31.7Very low143 Ų143123.1 Ų123.193%0.92976%0.76SS**  cis-87.1-160.2-0.940.9-39.1000111.6
247G30Very low31.7Very low73 Ų73122.8 Ų122.875%0.75375%0.754SS**  cis164.6-165400000109.1
248A35Very low31.8Very low87 Ų87125.1 Ų125.172%0.71975%0.746SS**  cis162.6138.5-28.700000107.3
249E31.2Very low31.8Very low178 Ų178128.4 Ų128.483%0.83275%0.75SS**  cis-150.3154.9-10.9-89.6155.571.700105.5
250E30.9Very low31.5Very low149 Ų149125.4 Ų125.470%0.69674%0.742SS**  55148.572.1-83.9-151.8126.400116.2
251M25.6Very low31.2Very low122 Ų122126.3 Ų126.360%0.60175%0.747SS**  cis-157.5151.612.2-124.4-149.5-152.400115
252R25.3Very low30.7Very low180 Ų180131 Ų13168%0.67976%0.763SS**  trans37.9131.7138.2-65.7-175.4-161.5177.43.3128.1
253I28Very low30.1Very low136 Ų136126.6 Ų126.670%0.69776%0.762SS**  47.5137.1122.7-36.3164.2000122.6
254N25.6Very low29.8Very low149 Ų149127.2 Ų127.280%0.79776%0.759SS**  trans134.7160.2143.6-74.4-34.2000113.4
255S28Very low29.7Very low94 Ų94132.6 Ų132.666%0.65776%0.761SS**  cis179.1170.1-32.261.20000110.1
256S28.1Very low29.7Very low119 Ų119136.1 Ų136.183%0.83277%0.768SS**  trans77.8175.115678.60000120.7
257T26.6Very low28.8Very low126 Ų126139 Ų13977%0.77376%0.761SS**  trans-142.4152.5-154.6-32.90000112.9
258E35.3Very low28.8Very low158 Ų158141.6 Ų141.674%0.73876%0.757SS**  trans82137.5148.1-115.5178.7-114.700123.1
259N28.3Very low28.5Very low128 Ų128140.7 Ų140.768%0.68476%0.757SS**  trans91.1137.9147.6-64.7-40.5000125.1
260S28.6Very low28.5Very low105 Ų105142.2 Ų142.273%0.73476%0.761SS**  trans88.4113.3150.463.50000123.2
261D27.6Very low28.5Very low162 Ų162138.3 Ų138.387%0.86676%0.76SS**  94.9157.8123.8-78.3-7.2000126.3
262E28.4Very low28.9Very low193 Ų193140 Ų14090%0.90277%0.77SS**  trans-74.7165.1-164-45.7178.5112.300115.1
263G26.5Very low29.6Very low74 Ų74135.8 Ų135.876%0.76377%0.766SS**  trans177.243.317400000122.6
264L27.1Very low29.5Very low149 Ų149138.3 Ų138.378%0.7877%0.772SS**  trans25.3113.2153.2-73.4162.3000122
265K27.7Very low29.8Very low187 Ų187137.5 Ų137.581%0.81377%0.773SS**  trans53.9131.4133.9-63.5175.1-177.9166.90121.6
266V30.3Very low29.7Very low146 Ų146137.5 Ų137.589%0.88578%0.779SS**  -157.5158.8112.3129.70000112.8
267R31.3Very low29.5Very low205 Ų205137.5 Ų137.577%0.77477%0.773SS**  trans-56.8164.4177.2-79.2173.3165.6-112.78.9115.1
268D30.1Very low29.5Very low126 Ų126139.6 Ų139.667%0.67478%0.779SS**  cis-156.7166.3-2.5-105.7-33.2000107.6
269G28.3Very low28.8Very low69 Ų69136.2 Ų136.271%0.71178%0.778SS**  cis14170.11.900000113.5
270K32Very low28.8Very low210 Ų210136.1 Ų136.191%0.91379%0.787SS**  trans-149115.6178.9-161.5179.5-171.6-1770113.8
271G29.6Very low28.6Very low67 Ų67136.3 Ų136.369%0.69179%0.789SS**  trans68.2100.3169.600000115.5
272I34.3Very low28.4Very low156 Ų156133.4 Ų133.480%0.878%0.781SS**  cis66.5125.719.2-78.2170.4000113.1
273P40.5Very low28.2Very low92 Ų92130.3 Ų130.360%0.59778%0.775SS**  cis-144.5-163.1-15.846-27.2000113.7
274F26.1Very low28.1Very low190 Ų190134 Ų13483%0.83378%0.777SS**  cis-144.3156.43.3-107-52.5000111.6
275T31.6Very low28.1Very low132 Ų132132 Ų13281%0.8178%0.776SS**  trans-127.4137.4162.150.90000109.5
276A25.6Very low28.1Very low94 Ų94127.6 Ų127.678%0.77778%0.775SS**  trans-161.3148.2164.500000109.6
277T24Very low28Very low118 Ų118129.2 Ų129.272%0.72477%0.773SS**  cis921075.9-44.30000117.3
278L25.8Very low27.9Very low171 Ų171126.2 Ų126.290%0.89577%0.767SS**  trans73.1155.6154.4-71.2170.9000122.4
279A21.7Very low27.7Very low87 Ų87127.6 Ų127.672%0.71977%0.769SS**  trans98.2100.215300000121.9
280S26.9Very low27.9Very low125 Ų125130.1 Ų130.187%0.87477%0.771SS**  52.6103118.7-500000124
281S25.1Very low27.7Very low110 Ų110124.3 Ų124.377%0.76976%0.762SS**  trans-176.3126.714852.60000108.7
282S23.6Very low27.7Very low100 Ų100126.3 Ų126.370%0.69977%0.765SS**  cis92.4133.742.273.90000114.8
283V25.1Very low27.4Very low128 Ų128124.2 Ų124.278%0.77676%0.76SS**  trans72.4123.5175.2-145.80000112.4
284N22.9Very low26.8Very low151 Ų151126.3 Ų126.381%0.80777%0.766SS**  59.5145.659-59.82.8000112.2
285S27Very low26.9Very low108 Ų108125.8 Ų125.876%0.75577%0.766SS**  cis-137.7168.45.1-57.10000108.1
286A28.8Very low26.7Very low95 Ų95122.4 Ų122.479%0.78576%0.757SS**  cis78.9107.725.600000116.8
287E27.7Very low26.8Very low180 Ų180129.8 Ų129.884%0.84177%0.765SS**  trans-148.4119.8158.7-89.4177.816600105.4
288E29.3Very low27.1Very low142 Ų142132.7 Ų132.766%0.66477%0.771SS**  9114468.5-78.8-135.284.200112.6V290E288-V290 WeakPolarHBondContact OE1-CG2 3.32Å
289H26.1Very low27.8Very low154 Ų154129.2 Ų129.271%0.71376%0.759SS**  cis-139.7139.524.2-84.4-53.9000111
290V31.3Very low27.9Very low123 Ų123130.1 Ų130.175%0.74576%0.755SS**  70.8133.484.6170.90000115E288E288-V290 WeakPolarHBondContact OE1-CG2 3.32Å
291A28.8Very low27.8Very low88 Ų88131.2 Ų131.273%0.72775%0.751SS**  cis-173.9-168.7-15.600000111.8
292S30.2Very low27.8Very low108 Ų108131 Ų13176%0.75575%0.75SS**  trans86.2138.3161.6-1250000118.4
293T26.7Very low28.3Very low112 Ų112132.8 Ų132.869%0.68776%0.756SS**  cis-167.1151.7-13.39.20000112.6
294N29.2Very low28.6Very low137 Ų137132.3 Ų132.373%0.73376%0.756SS**  trans71.7137.7146.2-77.925.2000124.9
295E28.6Very low28.8Very low178 Ų178132.7 Ų132.783%0.83275%0.75SS**  trans64.1119.9138.9-67.1-72.1159.200122.2
296G25.6Very low29Very low61 Ų61134.7 Ų134.763%0.62975%0.748SS**  123.2106.7119.500000121.1
297R28.4Very low28.9Very low249 Ų249139.9 Ų139.994%0.9476%0.756SS**  trans66.1148.9141-50.3-176.6172.1-156.4-3122.2
298E29.7Very low28.8Very low179 Ų179139.8 Ų139.884%0.83676%0.758SS**  trans-68.7178.5150.3-49.3-176.9130.100110.5
299P40.4Very low28.7Very low99 Ų99138.3 Ų138.364%0.64376%0.763SS**  cis-150-156.217.338.9-12.7000115.9
300T24.3Very low28.6Very low106 Ų106138.8 Ų138.865%0.6577%0.77SS**  trans67.2117.8144.252.20000122.1
301D24.2Very low28.3Very low147 Ų147139 Ų13979%0.78677%0.771SS**  68.9159122.5-68.5-44.1000125
302S26.1Very low28Very low107 Ų107143 Ų14375%0.74877%0.774SS**  trans89106.5149.370.70000119.1
303V33.4Very low27.8Very low137 Ų137144.2 Ų144.283%0.8378%0.777SS**  trans-69.8137146.5174.20000109.1
304P32.7Very low27.7Very low118 Ų118141.5 Ų141.577%0.76677%0.771SS**  trans-111.4153.415235.4-28.4000112.2
305K27.2Very low27.6Very low159 Ų159141.5 Ų141.569%0.69178%0.776SS**  trans-96.1157.6-179.5-104.9168.7154-105.30112
306E31Very low27.4Very low150 Ų150140.6 Ų140.670%0.70177%0.772SS**  trans50.7121.7140.5-67.1154173.100121
307Q25.5Very low27.5Very low203 Ų203141.2 Ų141.295%0.94977%0.771SS**  trans-150152.4133.3-120.3176.97.200111.6
308M26.8Very low27.4Very low179 Ų179137.2 Ų137.288%0.88276%0.761SS**  trans-102.6148.9-168.3-74177.5147.200114.5
309S26.4Very low28.1Very low111 Ų111134 Ų13478%0.77676%0.755SS**  trans49.2121.2144.165.40000121.5
310L24.6Very low27.5Very low164 Ų164136.4 Ų136.486%0.85976%0.761SS**  trans-152100.9154.9-165.869.6000115
311V25.1Very low27.6Very low127 Ų127135.8 Ų135.877%0.7776%0.762SS**  trans36.5101.7131.5-174.30000120.6
312H22Very low27.8Very low173 Ų173135.4 Ų135.480%0.80176%0.759SS**  74.8153.4121.3-149.665.3000123
313V25.9Very low28Very low132 Ų132138.2 Ų138.280%0.876%0.761SS**  trans70.6139172.3-162.70000117
314G24.8Very low27.7Very low56 Ų56136.8 Ų136.858%0.57776%0.757SS**  cis159.6125.3-13.200000116.3
315T26.3Very low27.4Very low136 Ų136138.2 Ų138.283%0.83476%0.755SS**  trans68.3151.2135.2-23.40000122.7
316E25.3Very low27.5Very low160 Ų160137.7 Ų137.775%0.74876%0.758SS**  trans77.3152.2164.2-57.6-166-179.400119.7F318E316-F318 HydrophobicContact CB-CE2 4.29Å; E316-F318 WeakPolarHBondContact OE2-CE2 3.27Å
317A26.7Very low27.5Very low74 Ų74138.9 Ų138.961%0.61276%0.761SS**  cis177.2-175.5-40.800000111
318F26.4Very low27.7Very low165 Ų165135.6 Ų135.672%0.72475%0.75SS**  trans90.7160.9151.6-51.7-61.5000120.3E316E316-F318 HydrophobicContact CB-CE2 4.29Å; E316-F318 WeakPolarHBondContact OE2-CE2 3.27Å
319P44.2Very low27.7Very low110 Ų110139.1 Ų139.171%0.71475%0.753SS**  -141.8-146-50.642.7-24.8000113.2
320I27.6Very low27.9Very low150 Ų150142.1 Ų142.177%0.76975%0.753SS**  trans97.5108.4171.7-56.8173000112.9
321S26.9Very low28.1Very low94 Ų94140.1 Ų140.166%0.65774%0.743SS**  cis102.3141.144.9-88.30000111.7
322D28.2Very low28.2Very low138 Ų138145.4 Ų145.474%0.73875%0.749SS**  cis-148.9139.80.5-78.5-35.2000108.2
323E30.6Very low28.9Very low167 Ų167145.1 Ų145.178%0.7875%0.752SS**  88.815779.9-141.1-149.7172.600116.3
324S27.3Very low29.5Very low106 Ų106144.7 Ų144.774%0.74175%0.752SS**  trans91142.2171.385.30000118.7
325M26.1Very low29.7Very low148 Ų148148.9 Ų148.973%0.72976%0.761SS**  cis-165.8160.1-11-117.9-70.2147.100112.6
326I30.7Very low29.7Very low148 Ų148150.1 Ų150.176%0.75976%0.757SS**  trans67.7126.5162.4-60.4155.7000116.5
327K29Very low29.7Very low176 Ų176148 Ų14877%0.76576%0.759SS**  cis91.6126.832.2-94.3-168160.7-168.80118.7
328D31.1Very low29.8Very low134 Ų134148.1 Ų148.172%0.71776%0.761SS**  trans48.2120.7147.5-60.3-48.5000120.4
329R27.5Very low29.9Very low252 Ų252146.6 Ų146.695%0.95177%0.765SS**  -171-175.492.6-149.2156.6177.5174-0.4112.4
330K30.6Very low29.1Very low175 Ų175146.8 Ų146.876%0.76176%0.763SS**  trans-127.6161.8-157.9-155.2-178.31801760112.6
331D28Very low29.1Very low121 Ų121149.5 Ų149.565%0.64776%0.764SS**  trans90.5115.1153.4-67.3-52.7000122.2
332R27.5Very low29.2Very low238 Ų238152.2 Ų152.290%0.89877%0.766SS**  trans91.1145.3140.9-68.1178.1177.8-145.7-3.5122.7
333L35.7Very low29.2Very low168 Ų168149.9 Ų149.988%0.8876%0.761SS**  trans-90.4164.2-175.9-66.6170.1000111.6
334P39.2Very low29Very low122 Ų122149.8 Ų149.879%0.79277%0.765SS**  -150-169.863.841.1-18.7000117.6
335L28.4Very low28.9Very low145 Ų145149 Ų14976%0.75977%0.765SS**  trans-64174.4167.2-66.773.3000110.8
336E25.8Very low29.7Very low162 Ų162148.1 Ų148.176%0.75777%0.771SS**  cis-174.2140.635.9-165.1173.1-133.100114
337S26.3Very low29.5Very low114 Ų114144.1 Ų144.180%0.79777%0.766SS**  trans63.3174.215877.50000119
338A28.8Very low29.6Very low77 Ų77143.8 Ų143.864%0.63677%0.772SS**  cis-161.7-169.88.800000113.4
339V28.7Very low30.4Very low133 Ų133142 Ų14281%0.80677%0.767SS**  trans81.4133.5143.5152.80000119
340V27.9Very low30.4Very low114 Ų114137.6 Ų137.669%0.69176%0.763SS**  cis-169.7142.6-9104.20000114.9
341R26.1Very low30.3Very low207 Ų207132.7 Ų132.778%0.78176%0.761SS**  trans56.7165.8150.8-59.4-90.1-169.6167.86.3120.5
342H28.6Very low30.4Very low152 Ų152137.2 Ų137.270%0.70477%0.77SS**  cis-158.8141.628.5-126.7-69.1000115.4
343S29.8Very low30.4Very low89 Ų89131.8 Ų131.862%0.62275%0.754SS**  trans63.4149.7156.8-0.20000119.1
344D26Very low30Very low164 Ų164131.2 Ų131.288%0.87775%0.751SS**  cis-146.2176.59.9-101.1-42.2000114
345A25.4Very low29.5Very low90 Ų90131.6 Ų131.674%0.74475%0.751SS**  trans-123.3-172.117300000109.7
346P43.5Very low30.1Very low129 Ų129130.1 Ų130.184%0.83875%0.751SS**  cis-129-172.32.943.4-26000114
347G25.2Very low29.9Very low64 Ų64127.1 Ų127.166%0.6675%0.754SS**  cis154178.8-10.900000114.1
348L32.3Very low30.2Very low169 Ų169126.7 Ų126.789%0.88575%0.751SS**  trans74.4152.5165.3-58.1170.4000119.6
349P47Very low30.8Very low96 Ų96128.6 Ų128.662%0.62376%0.756SS**  cis-143.8178.7-38.441.3-24.9000116.2
350N27.7Very low30.5Very low161 Ų161128 Ų12886%0.86175%0.754SS**  trans73.6128.6162.9-55.4-16.8000118.7
351G27.8Very low30.2Very low71 Ų71127.9 Ų127.973%0.73276%0.756SS**  cis142.5126.5-21.900000116.5
352R31.6Very low30Very low217 Ų217123.6 Ų123.682%0.81975%0.753SS**  trans61.9143160.3-87.7-175.8177.8-116.6-2.5117.6
353E26.9Very low29.9Very low124 Ų124122.8 Ų122.858%0.57975%0.754SS**  cis-167.4170.2-3.5-145165.8176.500110.6
354L28Very low29.7Very low155 Ų155123.3 Ų123.381%0.81276%0.758SS**  trans72.2138159-60.8171.9000121.6
355T26.8Very low29.6Very low130 Ų130121.7 Ų121.780%0.79875%0.754SS**  trans-84.2-179.2156.5440000110
356P41Very low29.6Very low115 Ų115121.4 Ų121.475%0.74775%0.746SS**  cis-142.9-174.312.245.3-26.5000117.6
357A22.8Very low28.9Very low99 Ų99123.5 Ų123.582%0.81874%0.742SS**  trans71155.6145.200000122
358S32.5Very low28.9Very low105 Ų105128.1 Ų128.173%0.73475%0.751SS**  trans-86.7171.8179.854.70000113.7
359P41.2Very low28.8Very low116 Ų116128 Ų12875%0.75375%0.746SS**  -150.4137.5100.136.7-18.9000118
360T23Very low27.9Very low122 Ų122129.1 Ų129.175%0.74875%0.751SS**  50.6119.2117.8-34.50000122.5
361C21.7Very low27.8Very low110 Ų110130.6 Ų130.674%0.74375%0.753SS**  trans94.1148.2136.9-97.70000125.8
362T21.9Very low27.6Very low117 Ų117130.7 Ų130.772%0.71875%0.747SS**  trans81.6134.7147.647.70000123
363N25.8Very low27.3Very low136 Ų136129.2 Ų129.273%0.72775%0.749SS**  trans68.1123.3154.7-61-24.2000117.7
364S25.7Very low27.4Very low99 Ų99129.9 Ų129.969%0.69276%0.761SS**  cis67.1142.748.495.80000111.5
365V24Very low27.3Very low131 Ų131130.8 Ų130.879%0.79477%0.766SS**  cis-179.8168.6-2.5121.40000104.5
366S24.8Very low27.4Very low83 Ų83131.5 Ų131.558%0.5876%0.761SS**  trans79.1107.5157.6-179.70000120.7
367K29Very low26.7Very low174 Ų174133.2 Ų133.276%0.75776%0.759SS**  59.9143.5127.8-53.4175.8-172.3-178.10120.8
368N26.6Very low26.9Very low160 Ų160137.5 Ų137.586%0.85676%0.762SS**  -161153.1100.4-88.4-26.1000111.8
369E29.7Very low26.6Very low167 Ų167138.1 Ų138.178%0.7876%0.757SS**  trans-97.9173.6-179.7-67.3172.88700111.9
370T27.2Very low25.9Very low119 Ų119140.7 Ų140.773%0.7376%0.759SS**  trans60.6109.9158.143.30000119.1
371H25.4Very low26.1Very low192 Ų192142.6 Ų142.689%0.88976%0.764SS**  173.1148.9115.8-85.9-68.5000107.8
372A25Very low26.3Very low74 Ų74143.7 Ų143.761%0.61277%0.771SS**  cis-167168.8-25.300000107.2
373E25.4Very low27.1Very low185 Ų185143.4 Ų143.486%0.86477%0.771SS**  trans66.9123.3173.5-52.9178.9158.800114.1
374V27.8Very low27.2Very low138 Ų138147.1 Ų147.184%0.83678%0.776SS**  cis71.286.635.8-168.30000113.7
375L26.8Very low27.3Very low174 Ų174149.6 Ų149.691%0.91178%0.777SS**  trans-151.7143.2148.1-129.3154.8000110.4
376E27.4Very low27.5Very low146 Ų146148.1 Ų148.168%0.68277%0.773SS**  trans-95.2155.1-172.6-74.8-17386.400114.3
377Q27.1Very low27.6Very low151 Ų151152.5 Ų152.571%0.70678%0.781SS**  trans49103.3144.8-64.9174.942.500119.5
378Q26.7Very low27.7Very low188 Ų188153.8 Ų153.888%0.87979%0.787SS**  179.6149.7128.4-94.5148.3100.400107.3
379N26.1Very low27.6Very low118 Ų118152.8 Ų152.863%0.63178%0.781SS**  cis-150.4175.615.7-145.919.4000112.9
380E27Very low27.5Very low170 Ų170149.9 Ų149.979%0.79478%0.78SS**  trans70.1117.4153.6-77.6158.2-115.600121.7
381L26.3Very low27.5Very low163 Ų163149.3 Ų149.385%0.85378%0.781SS**  trans-88.8149162.8-68.1156.4000110.5
382C25.8Very low27.7Very low132 Ų132147.6 Ų147.689%0.89278%0.777SS**  trans-167.1116.6139.4-1010000112.4
383P39.8Very low27.9Very low111 Ų111151.9 Ų151.972%0.72179%0.789SS**  trans-102.9156.6165.737.8-31000112.1
384Y27.2Very low27.8Very low215 Ų215148.6 Ų148.684%0.84379%0.786SS**  trans-165.2152.1169.6-123.1-86.6000110.4
385E28.2Very low27.7Very low150 Ų150146.3 Ų146.370%0.70178%0.777SS**  -150.1157.6-53.1-168.4173.4-11800106.8
386S28.6Very low27.8Very low101 Ų101145 Ų14571%0.70677%0.77SS**  trans-91.5159.117857.10000112.5
387K27.2Very low27.9Very low175 Ų175145.1 Ų145.176%0.76178%0.776SS**  trans-146.1118.9147.9-74.9-153.1171.7-128.20112.9
388F30.1Very low28Very low201 Ų201145 Ų14588%0.88278%0.775SS**  trans-110.5156140.8-95.9-85.9000106.3
389D24Very low28.2Very low138 Ų138140.7 Ų140.774%0.73876%0.762SS**  trans-150.3151160.5-96.3-47.8000109.1
390S27.5Very low28.3Very low106 Ų106143.8 Ų143.874%0.74177%0.77SS**  trans-154.9149.8-178.9-78.10000112.5
391S28.5Very low28.2Very low108 Ų108141.6 Ų141.676%0.75577%0.772SS**  trans74.4123.4167.772.40000119.9
392L29.7Very low28.3Very low156 Ų156143 Ų14382%0.81777%0.771SS**  45.3137.7128.6-51.3175.8000119.5
393L27.9Very low28.9Very low163 Ų163142.7 Ų142.785%0.85377%0.767SS**  cis-158.7167.147.5-76.1163.7000113.5
394S23.5Very low28.2Very low116 Ų116144 Ų14481%0.81177%0.768SS**  trans112.9137.4138.7-154.60000120.8
395S26.6Very low28.1Very low90 Ų90138.7 Ų138.763%0.62976%0.763SS**  trans74.7111.2156.4-163.20000120.2
396D28.4Very low28Very low146 Ų146136.1 Ų136.178%0.78177%0.767SS**  49.1151.5128.2-37.3-48.8000120.6
397D28.8Very low28.1Very low149 Ų149136.5 Ų136.580%0.79777%0.77SS**  cis-156.8-177.819.5-161.2-3.4000111.8
398E30.3Very low28.3Very low149 Ų149135.8 Ų135.870%0.69677%0.769SS**  trans68.7103.5155.5-70.5-132.9102.900123.1
399T31.4Very low28.3Very low98 Ų98132.3 Ų132.360%0.60176%0.764SS**  86.8121125.967.40000124.4
400K28.4Very low28.5Very low183 Ų183133.4 Ų133.480%0.79677%0.768SS**  62.8119125.8-67.7176.8179.9166.30122.9
401C25Very low28.4Very low123 Ų123131.2 Ų131.283%0.83176%0.763SS**  87136.2126.7-68.30000122.2
402K26.3Very low29.1Very low194 Ų194132 Ų13284%0.84377%0.765SS**  trans-54.3167.8153.4-60.2-178.5178.3-178.50111.1
403P40.4Very low29.1Very low124 Ų124131.1 Ų131.181%0.80577%0.766SS**  cis-147.5-166.125.745.4-24.4000117.8
404N23.5Very low28.9Very low139 Ų139129 Ų12974%0.74377%0.765SS**  trans-59.1161.8-179.3-42.3-12.7000116.8
405S24.9Very low29.2Very low104 Ų104130.8 Ų130.873%0.72776%0.764SS**  trans68.7120.813165.40000123.5
406A26.4Very low29.2Very low96 Ų96134.5 Ų134.579%0.79377%0.772SS**  76.8125.9123.400000122.4
407S32.2Very low29.2Very low109 Ų109134.5 Ų134.576%0.76277%0.767SS**  trans172.6147.1136.6-100.20000109.6
408E31.1Very low29.2Very low159 Ų159134 Ų13474%0.74377%0.769SS**  cis-168.9170.7-13.5-158165.2-179.200112.3
409V28.7Very low29.1Very low129 Ų129131.7 Ų131.778%0.78277%0.77SS**  trans61.3156.4166.1-84.70000119
410I29.6Very low28.9Very low160 Ų160131.7 Ų131.782%0.82177%0.774SS**  cis-131.21611.9-26.4156.2000110.4
411G23.8Very low28.8Very low61 Ų61130.6 Ų130.663%0.62978%0.775SS**  trans-92.9-157161.900000113.2
412P44.9Very low28.7Very low123 Ų123130.7 Ų130.780%0.79977%0.771SS**  cis-119.1143.86.638.9-25.1000114.6
413V28.2Very low28.7Very low138 Ų138126.1 Ų126.184%0.83676%0.764SS**  66.9112.284.2-176.70000117.3
414S24.8Very low28.1Very low119 Ų119125.7 Ų125.783%0.83276%0.759SS**  trans-158.8169.7136.6-162.70000109.7
415L29.6Very low28.6Very low153 Ų153125.3 Ų125.380%0.80176%0.764SS**  trans-129.1173.9-164.9-76.1171000115.1
416Q26.7Very low29Very low169 Ų169125.3 Ų125.379%0.7976%0.764SS**  trans80157.1164.9-62.7-165.3-77.200119
417E29.3Very low29.3Very low146 Ų146129.7 Ų129.768%0.68277%0.768SS**  cis-172.6159.5-36.5-153162.1-171.100109.7
418T27.4Very low29Very low137 Ų137128 Ų12884%0.8476%0.761SS**  trans69.6-161.4169.675.70000118.5
419S28.5Very low29Very low101 Ų101126.7 Ų126.771%0.70676%0.763SS**  trans-148.6166.8-135.757.30000118
420S26.8Very low28.9Very low98 Ų98127 Ų12769%0.68576%0.761SS**  trans93.1116.1147.8-61.70000123
421I25.9Very low28.7Very low160 Ų160126 Ų12682%0.82176%0.757SS**  trans73.2147.7140.9-47.4159.3000120
422V24Very low29.1Very low125 Ų125129.1 Ų129.176%0.75876%0.763SS**  trans125.8102.2149.5-176.50000117.8
423S25.2Very low28.2Very low99 Ų99131.8 Ų131.869%0.69277%0.765SS**  trans38129.9130.9-46.90000126.9
424V29.1Very low28.1Very low115 Ų115132.5 Ų132.570%0.69776%0.764SS**  55144.5118.1-175.80000121.9
425P34.4Very low28.2Very low130 Ų130132.2 Ų132.284%0.84476%0.757SS**  trans-125.6154.113337.6-30000114.7
426S32.3Very low28Very low104 Ų104131 Ų13173%0.72776%0.756SS**  trans-100.1-166-173.9-57.30000111.8
427E32.2Very low27.9Very low188 Ų188127.4 Ų127.488%0.87975%0.749SS**  cis-150-176.223.6-59.5179.314300109.6
428A26.1Very low27.7Very low74 Ų74129.1 Ų129.161%0.61276%0.755SS**  cis-163.9157.820.200000114.6
429V30.7Very low27.7Very low131 Ų131129.4 Ų129.479%0.79475%0.752SS**  trans49.9145.3150.3-63.30000122.5
430D27.7Very low27.9Very low136 Ų136128.9 Ų128.973%0.72775%0.753SS**  cis-168.7174.3-29.1-127.5-41.7000111.4
431N26.3Very low28Very low138 Ų138131.8 Ų131.874%0.73875%0.754SS**  trans75.498.8163.3-63.8-36.9000122.8
432V31.5Very low28.2Very low127 Ų127131.2 Ų131.277%0.7775%0.748SS**  41.2141.7112-171.30000123.2
433E24.9Very low28.3Very low179 Ų179133.3 Ų133.384%0.83675%0.748SS**  trans96.492.6153.1-102.1168.5-160.800124
434N26.2Very low28.5Very low153 Ų153135.7 Ų135.782%0.81875%0.749SS**  41.5149.7115.4-141.66000124.4
435V26.6Very low28.3Very low113 Ų113136.2 Ų136.269%0.68575%0.748SS**  trans87.7104.5157-176.60000122.2
436V25.5Very low27.8Very low127 Ų127138.7 Ų138.777%0.7775%0.745SS**  trans67.9142.9133.6-179.80000124.4
437S25.8Very low27.6Very low94 Ų94140.6 Ų140.666%0.65775%0.747SS**  trans-58.4168.1178.8-310000118.1
438F25.3Very low27.4Very low183 Ų183139.2 Ų139.280%0.80374%0.74SS**  -173.1176.586.4-113.1-79.7000117.3
439N27.9Very low27.3Very low143 Ų143140.7 Ų140.777%0.76574%0.742SS**  trans-73.7166.8-173.4-51.2-25.7000117.9
440A32.7Very low27.2Very low90 Ų90141.5 Ų141.574%0.74474%0.74SS**  trans178.9152138.500000111.7
441K28.7Very low27Very low159 Ų159141.8 Ų141.869%0.69174%0.737SS**  cis-168.2147-11.7-111.1177169.3-79.20110.5
442E30Very low27.1Very low148 Ų148141.4 Ų141.469%0.69273%0.731SS**  trans43.1173137.6-68.3148.5-160.900124.6
443H26.1Very low27Very low168 Ų168142.5 Ų142.578%0.77873%0.728SS**  -176.3171.4-55-139.8-107.8000110.7
444E29.6Very low27.1Very low150 Ų150141.8 Ų141.870%0.70172%0.724SS**  trans70.8146.3167.3-46.3-160.4148.500118.8
445N24.4Very low27Very low126 Ų126139.8 Ų139.867%0.67472%0.718SS**  -161.514050.2-101.6-89.5000115.8
446F24.7Very low26.8Very low181 Ų181139.7 Ų139.779%0.79472%0.718SS**  trans58.7154.6139.1-85.6-100.2000127.1
447L26.9Very low26.8Very low145 Ų145142 Ų14276%0.75972%0.72SS**  trans-63.8178.9-175.4-63.6152000115.8
448E27.2Very low26.9Very low159 Ų159143.1 Ų143.174%0.74373%0.728SS**  cis-166.817925.2-150-178.9164.600114.5
449T24.7Very low26.9Very low104 Ų104139.3 Ų139.364%0.63873%0.73SS**  trans88.8129.5146.145.30000126.1
450I28.7Very low26.8Very low148 Ų148136.1 Ų136.176%0.75973%0.731SS**  trans78.4145.8137.9-71.7165.7000121.1
451Q24.2Very low26.7Very low143 Ų143140.5 Ų140.567%0.66874%0.736SS**  cis-173.3140.4-33.7-154175.3-35.400112
452E28.3Very low26.8Very low130 Ų130139.1 Ų139.161%0.60774%0.736SS**  trans74.9155144.2-102.6174.2-119.900128.7
453Q28Very low26.9Very low150 Ų150138.4 Ų138.470%0.70174%0.737SS**  trans75.4133.4156-70.5165.443.300119.7
454Q28Very low26.9Very low164 Ų164137 Ų13777%0.76673%0.733SS**  cis110136.625.2-87-171.96500111.7
455T23.3Very low26.6Very low110 Ų110135.1 Ų135.168%0.67574%0.737SS**  cis-146.3-148.6-841.50000108.5
456T23.4Very low26.9Very low112 Ų112137 Ų13769%0.68775%0.745SS**  cis-165153.68.3-12.10000113.8
457E25.3Very low27.5Very low174 Ų174134.3 Ų134.381%0.81375%0.746SS**  trans54.7143.2144-80.8-177.6151.100128.5
458S26.8Very low27.3Very low119 Ų119137 Ų13783%0.83275%0.751SS**  trans78.7165.1144.877.90000121.8
459A27.1Very low27.4Very low103 Ų103133.6 Ų133.685%0.85175%0.75SS**  cis-175.3149.9-45.100000110.4
460G25.8Very low27.5Very low75 Ų75135.1 Ų135.177%0.77376%0.759SS**  trans165.4155.4172.100000116.1
461Q30Very low27.5Very low182 Ų182136.3 Ų136.385%0.8576%0.762SS**  trans-141.2-176.2-169.9-58.8178.2-98.300113.9
462D30Very low27.8Very low131 Ų131135.8 Ų135.870%0.70177%0.771SS**  trans91142.7153-61.4-8.2000121.3
463L31.6Very low27.6Very low133 Ų133138.5 Ų138.570%0.69679%0.786SS**  cis-164.1149.9-15.3-101.1173.9000112.9
464I27.5Very low27.6Very low138 Ų138139.2 Ų139.271%0.70879%0.789SS**  trans57.2125.4145.2-55.5159.3000122.1
465S23.6Very low27.7Very low111 Ų111137.9 Ų137.978%0.77679%0.786SS**  -179.1135.4111.5-74.10000114.7
466I30.2Very low27.7Very low165 Ų165139.6 Ų139.685%0.84679%0.791SS**  trans-138.3135.6176.5-49.2169.3000109.8
467P36.2Very low28.1Very low124 Ų124139.6 Ų139.681%0.80580%0.795SS**  -149.6165122.736.3-20.1000113.7
468K23.5Very low28.2Very low202 Ų202140.1 Ų140.188%0.87880%0.798SS**  cis-167152.1-19.7173.4170.1179.5175.20107.6
469A29Very low28.3Very low88 Ų88142.5 Ų142.573%0.72780%0.796SS**  trans-82.4168.3-171.800000117
470V27.4Very low28.7Very low136 Ų136142.4 Ų142.482%0.82479%0.789SS**  trans-148.2136.7155-1780000108.1
471E29Very low29.1Very low173 Ų173147.7 Ų147.781%0.80879%0.794SS**  trans-82163.3-179.1-50.5110.2150.300114.3
472P28.9Very low29.1Very low132 Ų132144.6 Ų144.686%0.85779%0.792SS**  trans-94169.1150.537.4-29.5000111.9
473M25Very low29Very low187 Ų187145.4 Ų145.492%0.92180%0.796SS**  trans-131.2138.7-169.1-171.6-176.6170.700109.7
474E27.4Very low28.9Very low164 Ų164142.7 Ų142.777%0.76680%0.8SS**  trans-65.3171.2166.6-61.6-171.1152.500110.7
475I30.1Very low29Very low137 Ų137140.9 Ų140.970%0.70380%0.8SS**  cis-153.1-17023.2-13.9172.7000110.4
476D23.9Very low29.1Very low146 Ų146144.9 Ų144.978%0.78180%0.804SS**  trans100.4129.8148.7-65.2-34.2000120.2
477S32.7Very low29.2Very low112 Ų112143.9 Ų143.978%0.78380%0.799SS**  trans-107.9145.8-172.1-56.40000111.5
478E26.6Very low28.7Very low185 Ų185145 Ų14586%0.86479%0.793SS**  trans-13577.5168.9-73-84.3-164.100107.9
479E29.8Very low28.9Very low168 Ų168142.2 Ų142.279%0.78579%0.793SS**  trans-65.1140.9170.9-81.8-61.7163.800110.2
480S34.3Very low28.7Very low102 Ų102145.3 Ų145.371%0.71379%0.792SS**  trans-151.872-177.7-83.20000111.1S482S480-S482 PolarHBondContact O-N 3.45Å
481E34.3Very low28.6Very low186 Ų186144.4 Ų144.487%0.86979%0.792SS**  trans-58.7129.1167.6-60.6-178.4-161.100110.5
482S29.3Very low28.4Very low116 Ų116142.2 Ų142.281%0.81179%0.79SS**  trans-14889.8176.5-1580000112.4S480S480-S482 PolarHBondContact O-N 3.45Å
483D28.3Very low28.3Very low148 Ų148143.9 Ų143.979%0.79179%0.79SS**  trans55.890.5148.4-161.52.3000117.9
484G30.6Very low28.3Very low76 Ų76140 Ų14078%0.78478%0.781SS**  trans-106.995.2158.800000110.3F486G484-F486 PolarHBondContact O-N 2.83Å
485S28.8Very low28.3Very low101 Ų101139.9 Ų139.971%0.70679%0.786SS**  trans-53.3115.8-171.4630000114.9
486F26.6Very low28.2Very low194 Ų194142.7 Ų142.785%0.85180%0.796SS**  trans-92.7142.1164.2-171.6-100.7000109.5G484G484-F486 PolarHBondContact O-N 2.83Å
487I31.2Very low28.6Very low145 Ų145143.5 Ų143.574%0.74480%0.795SS**  trans-113.1127.2177.1-68.1179000109.1
488E26.1Very low28.3Very low146 Ų146146.8 Ų146.868%0.68280%0.803SS**  trans-61.2146176.9-57.8170.798.500112.3
489V27.3Very low28.2Very low144 Ų144144.7 Ų144.787%0.87379%0.793SS**  trans-118.6112.7152.1178.70000107.3
490Q24.4Very low28Very low154 Ų154141.7 Ų141.772%0.7280%0.797SS**  trans-73.8132.9-176.5-65163.5-10.500110.9
491S25.7Very low27.6Very low116 Ų116143.1 Ų143.181%0.81179%0.792SS**  trans-124.7102163.959.90000109.4
492V25.1Very low27.1Very low127 Ų127141.7 Ų141.777%0.7778%0.784SS**  trans-73.7124-176.5178.70000111
493I26.6Very low27.3Very low167 Ų167141.7 Ų141.786%0.85678%0.781SS**  trans-130139.8148-60.9-176.4000106
494S24.9Very low27.1Very low106 Ų106142.2 Ų142.274%0.74178%0.779SS**  trans-75.6144.1-162.5-46.20000114.8
495D26.9Very low26.7Very low162 Ų162144.1 Ų144.187%0.86678%0.775SS**  trans-71.1146150.3-62-65000110.3
496E28.3Very low26.5Very low196 Ų196145 Ų14592%0.91678%0.781SS**  trans-142.9125.6162.8-155.9153.5-145.500107.4
497E32.6Very low26.4Very low162 Ų162145.3 Ų145.376%0.75778%0.782SS**  trans-78.5148.6-156.8-61176.610300115
498L26.4Very low26.8Very low181 Ų181143.8 Ų143.895%0.94878%0.782SS**  trans-140.6118.9133.2-81-174000110.8
499Q24Very low27.5Very low142 Ų142141.9 Ų141.966%0.66478%0.782SS**  trans-94.4153.1164.1-68.1-168.53.700111.2
500A25.6Very low27.4Very low105 Ų105139.4 Ų139.487%0.86877%0.771SS**  trans-147.697.5158.500000109.7
501E26.6Very low27.5Very low131 Ų131140.2 Ų140.261%0.61278%0.775SS**  trans-74.5163.9168.1-50.8177.2102.300109.1
502F24.9Very low27.5Very low157 Ų157143.8 Ų143.869%0.68978%0.779SS**  cis-166.7-176.938.3-95.6-58000108.2
503P31.5Very low27.6Very low115 Ų115141 Ų14175%0.74778%0.776SS**  cis-131.7167.96.827.7-3.8000118.4
504E24.1Very low27.7Very low160 Ų160141.9 Ų141.975%0.74878%0.776SS**  trans-14154.1151.9-41-175.7115.900119.4
505T22.9Very low27.8Very low116 Ų116145.3 Ų145.371%0.71278%0.781SS**  -169.71525718.90000115.6
506S24.9Very low27.8Very low118 Ų118145.2 Ų145.283%0.82578%0.775SS**  trans78.5148.8146.872.20000123.3
507K25.4Very low27.7Very low201 Ų201142 Ų14287%0.87476%0.764SS**  trans-133.6-169.4176-50.1179.1179.9-179.50107.8
508P39.3Very low27.4Very low114 Ų114140.8 Ų140.874%0.7477%0.767SS**  cis-116.1-91-16.937.1-18.5000111
509P39.1Very low27.4Very low106 Ų106135.6 Ų135.669%0.68876%0.757SS**  -84.3-157.2-75.217.84.7000112.8
510S25.7Very low27.5Very low92 Ų92134.6 Ų134.664%0.64376%0.761SS**  172.8161.3-63.166.90000110.2
511E27.6Very low27.6Very low170 Ų170139.4 Ų139.479%0.79476%0.757SS**  trans71.7135.8168.9-61.7175.8171.600116.1
512Q25.7Very low27.6Very low192 Ų192141 Ų14190%0.89776%0.764SS**  cis96.7140.932.8-74.3-170.2-14.900115
513G25.8Very low27.6Very low69 Ų69137.3 Ų137.371%0.71177%0.77SS**  trans107.4109.4-175.900000111.6
514E28.8Very low27.3Very low184 Ų184141.3 Ų141.386%0.8678%0.779SS**  cis93.1110.242.9-67.3-174.7-175.300115.2
515E28.8Very low27.3Very low179 Ų179138 Ų13884%0.83678%0.779SS**  trans72.2142.6140.7-64.1-159.8145.900125.6
516E26Very low28.1Very low159 Ų159138.1 Ų138.174%0.74378%0.782SS**  trans72.8114.5150.5-73-152.6136.100125.5
517L26.8Very low28.3Very low130 Ų130136.8 Ų136.868%0.68178%0.778SS**  77.893.4127.2-68.3175.2000122.5
518V26.1Very low28.1Very low136 Ų136136.1 Ų136.182%0.82478%0.778SS**  47.2105113.5-178.80000117.5
519G25.4Very low27.8Very low72 Ų72135.4 Ų135.474%0.74278%0.776SS**  trans-126.330-169.700000118.9
520T26.8Very low27.5Very low121 Ų121139.2 Ų139.274%0.74278%0.784SS**  trans75.4126.5159.4-44.40000120.1
521R27.8Very low27.9Very low206 Ų206138.8 Ų138.878%0.77778%0.781SS**  trans79119.9151.1-88.7-175.6155.5137.23.7123.7
522E25.3Very low27.8Very low164 Ų164137.8 Ų137.877%0.76678%0.78SS**  42.8124116.1-61.5172.2158.800120
523G25.5Very low27.9Very low79 Ų79135.3 Ų135.381%0.81477%0.773SS**  trans142.7116151.700000115.2
524E25.2Very low28Very low200 Ų200141.9 Ų141.994%0.93578%0.776SS**  trans-59.1167.2-175-63.8163.6125.100116.6
525A25.1Very low27.9Very low91 Ų91138 Ų13875%0.75276%0.761SS**  trans-64.4176.8175.800000113.1
526P39.7Very low27.9Very low118 Ų118135.4 Ų135.477%0.76675%0.753SS**  cis-145.8179.517.644.4-24.3000118.7
527A28.1Very low28.3Very low90 Ų90132.2 Ų132.274%0.74475%0.748SS**  trans36.2122.7144.500000122.3
528E22.6Very low28.6Very low186 Ų186132.9 Ų132.987%0.86975%0.748SS**  -159.6134.6122.4-99.7174.2-161.700105.9
529S32.1Very low29Very low100 Ų100134.8 Ų134.870%0.69974%0.74SS**  87.4110.752.8-60.70000113.7
530E33Very low29.3Very low186 Ų186137.7 Ų137.787%0.86974%0.739SS**  trans60.9170.8147.5-77.6-155.1-137.300119.7
531S33.1Very low29.6Very low83 Ų83138.8 Ų138.858%0.5874%0.74SS**  cis-164.1179-37.159.50000106.5
532L26.5Very low29.7Very low148 Ų148134.2 Ų134.278%0.77574%0.735SS**  trans173.7140.8135.3-100.7177.5000115
533L27.8Very low30Very low141 Ų141134.3 Ų134.374%0.73874%0.74SS**  trans65.8148.1161.6-57.6175.8000117.6
534R27.7Very low30.2Very low206 Ų206134.3 Ų134.378%0.77774%0.74SS**  cis171.5157.7-30.2-110.9-154.5-174.3-115.911.2105
535D26.7Very low30.8Very low103 Ų103133.1 Ų133.155%0.55174%0.735SS**  cis164.6161.6-17.8166.539.6000108.1
536N29.3Very low31.7Very low125 Ų125133.3 Ų133.367%0.66873%0.728SS**  trans78.3151.1174.2-50.1-91.1000118.3
537S34.1Very low31.3Very low91 Ų91135.6 Ų135.664%0.63673%0.729SS**  cis-175.8147.4-28.4-168.50000107.4
538E33.1Very low31.6Very low145 Ų145140 Ų14068%0.67873%0.734SS**  160.4168.892.8-77.9-159.6-171.400107.4
539R33.6Very low32.2Very low176 Ų176135.1 Ų135.166%0.66473%0.726SS**  cis178.4157.4-24.2-91.3-162.2-80.2-160.5-7.6106.2
540D33.1Very low32.7Very low133 Ų133139.7 Ų139.771%0.71174%0.736SS**  cis-154.9-164.9-24.7-70.5-33.3000104.1
541D32Very low33.2Very low143 Ų143139.8 Ų139.877%0.76573%0.733SS**  cis-167.2170.15.1-151.3-13.4000110.9
542V30Very low33.6Very low110 Ų110143.1 Ų143.167%0.66775%0.745SS**  trans69.6116.3154.4176.90000124.2
543D30.8Very low34.5Very low166 Ų166140.5 Ų140.589%0.88875%0.745SS**  trans52.8128145.9-73-28.5000125.5
544G31.6Very low35.2Very low79 Ų79142.5 Ų142.581%0.81475%0.75SS**  trans162.658.4159.400000120.2
545E35.8Very low36.1Very low176 Ų176139.6 Ų139.682%0.82275%0.75SS**  trans-71.9167.3173.4-84.4-79.5142.300114.6
546P44.4Very low37.1Very low94 Ų94139 Ų13961%0.6175%0.754SS**  cis-136.71721.841.4-24.2000118
547Q32.4Very low37.7Very low166 Ų166140 Ų14078%0.77676%0.759SS**  trans50.2123.4147.9-70.9-179.7-7500123.1
548E34Very low38.3Very low182 Ų182141.4 Ų141.485%0.8576%0.755SS**  -158.7165.7105.9-95.9-75.6115.600108.1
549A35.5Very low39Very low85 Ų85142 Ų14270%0.70276%0.758SS**  trans-76.9129.1-155.200000117.3
550E42.8Very low39.7Very low196 Ų196143.2 Ų143.292%0.91676%0.762SS**  trans-90.9122.5146.5-70.4-172152.600108.5
551K42.4Very low40.2Very low187 Ų187144.1 Ų144.181%0.81376%0.762SS**  trans-154.716.8177.2-138.5-158.9172.1-150.60117.5
552D41.9Very low41.1Very low154 Ų154143.2 Ų143.282%0.82476%0.758SS**  trans-111.217.6-168.5-54.7-66000114.5
553A46.2Very low42.3Very low93 Ų93141.6 Ų141.677%0.76975%0.745SS**SBendtrans-108.2-8.6-168.700000116.4
554E42.6Very low44.3Very low182 Ų182137.7 Ų137.785%0.8572%0.724SS**SBendtrans-112.7-10.1-176.6-69.6-167.814100115S556E554-S556 VanDerWaalsContact C-N 3.28Å; E554-S556 PolarHBondContact O-N 3.02Å
555D45.5Very low46.2Very low145 Ų145140.6 Ų140.678%0.77572%0.72SS**G310 helixtrans-68.8-23.4-179.3-103.5-2.6000113.2L557D555-L557 PolarHBondContact O-N 2.81Å
556S48.4Very low48Very low92 Ų92138.7 Ų138.764%0.64371%0.711SS**G310 helixtrans-71.76.4-171.4-45.20000116.1E554E554-S556 VanDerWaalsContact C-N 3.28Å; E554-S556 PolarHBondContact O-N 3.02Å
557L41.1Very low49.6Very low146 Ų146139.4 Ų139.476%0.76471%0.706SS**G310 helixtrans-116.9-1.6-177.7-73.8174.9000114.9D555D555-L557 PolarHBondContact O-N 2.81Å
558H46.7Very low51.8Low120 Ų120135.7 Ų135.756%0.55669%0.691SS**THydrogen-bonded Turntrans-101.2-22.4-177.4-152.9-61.6000114.7W560 Q561 D562H558-W560 PolarHBondContact O-N 3.38Å; H558-W560 VanDerWaalsContact O-N 3.14Å; H558-Q561 PolarHBondContact O-N 3.17Å; H558-D562 IonicContact CE1-OD2 3.7Å; H558-D562 IonicContact ND1-OD2 3.76Å
559E48.3Very low54.1Low158 Ų158133 Ų13374%0.73868%0.679SS**THydrogen-bonded Turntrans-63.7-22.3-173.8-70.3-170.1122.800114.9Q561E559-Q561 PolarHBondContact O-N 3.08Å
560W49Very low56.4Low200 Ų200132.3 Ų132.376%0.75867%0.665SS**THydrogen-bonded Turntrans-87.53.2-175.4-67.796.2000115H558 I563H558-W560 PolarHBondContact O-N 3.38Å; H558-W560 VanDerWaalsContact O-N 3.14Å; W560-I563 HydrophobicContact CE3-CD1 3.71Å; W560-I563 HydrophobicContact CZ3-CD1 3.99Å
561Q42.1Very low58.4Low152 Ų152127.3 Ų127.371%0.7165%0.645SS**SBendtrans-109.6-12.7-174.2-69.8174.51500114.4H558 E559H558-Q561 PolarHBondContact O-N 3.17Å; E559-Q561 PolarHBondContact O-N 3.08Å
562D52.1Low60.5Low125 Ų125124.7 Ų124.767%0.66864%0.635SS**  trans-10511.1178.4-75.2-55.8000113.8H558 N564H558-D562 IonicContact CE1-OD2 3.7Å; H558-D562 IonicContact ND1-OD2 3.76Å; D562-N564 PolarHBondContact O-N 2.98Å
563I54.2Low62.6Low76 Ų76120.7 Ų120.739%0.3962%0.619SS.*  trans-71.5100.2173.3-48.9-179.5000109.2W560 L568W560-I563 HydrophobicContact CE3-CD1 3.71Å; W560-I563 HydrophobicContact CZ3-CD1 3.99Å; I563-L568 HydrophobicContact CG2-CD1 3.66Å; I563-L568 HydrophobicContact CG2-CD2 4.23Å; I563-L568 HydrophobicContact CG2-CG 3.63Å
564N72.9Confident64.7Low84 Ų84120.7 Ų120.745%0.44961%0.606SS.*  trans-63.9135.7178.5-179.74.7000110.9D562 E566 E567 L568D562-N564 PolarHBondContact O-N 2.98Å; N564-E566 PolarHBondContact O-N 3.41Å; N564-E566 PolarHBondContact OD1-N 2.91Å; N564-E566 VanDerWaalsContact OD1-N 3.14Å; N564-E567 HydrophobicContact CB-CB 3.93Å; N564-E567 CarbonylContact O-C 3.59Å; N564-E567 WeakPolarHBondContact O-CA 3.26Å; N564-E567 WeakPolarHBondContact O-CB 3.4Å; N564-E567 PolarHBondContact O-N 3.16Å; N564-L568 PolarHBondContact O-N 3.1Å
565L71.6Confident66.8Low140 Ų140117.3 Ų117.373%0.73359%0.594SS**Hα-helixtrans-58.5-35.8177.5-173.664.5000112.4E567 L568 E569L565-E567 VanDerWaalsContact C-N 3.31Å; L565-L568 PolarHBondContact O-N 3.49Å; L565-E569 PolarHBondContact O-N 3.02Å
566E73.3Confident68.9Low135 Ų135114.7 Ų114.763%0.63158%0.579SS**Hα-helixtrans-73.5-24.1176.2-163.9169.8-166.600112N564 T570N564-E566 PolarHBondContact O-N 3.41Å; N564-E566 PolarHBondContact OD1-N 2.91Å; N564-E566 VanDerWaalsContact OD1-N 3.14Å; E566-T570 WeakPolarHBondContact O-CB 3.42Å; E566-T570 VanDerWaalsContact O-CG2 3.32Å; E566-T570 WeakPolarHBondContact O-CG2 3.39Å; E566-T570 PolarHBondContact O-N 3.34Å; E566-T570 VanDerWaalsContact O-N 3.12Å; E566-T570 PolarHBondContact O-OG1 3.08Å
567E78.6Confident70.9Confident109 Ų109113 Ų11351%0.50957%0.571SS.*Hα-helixtrans-77.1-35.2170.9-169.4161.6-161.100111.4N564 L565 T570 L571N564-E567 HydrophobicContact CB-CB 3.93Å; N564-E567 CarbonylContact O-C 3.59Å; N564-E567 WeakPolarHBondContact O-CA 3.26Å; N564-E567 WeakPolarHBondContact O-CB 3.4Å; N564-E567 PolarHBondContact O-N 3.16Å; L565-E567 VanDerWaalsContact C-N 3.31Å; E567-T570 WeakPolarHBondContact CA-OG1 3.43Å; E567-T570 PolarHBondContact O-OG1 3.33Å; E567-T570 VanDerWaalsContact O-OG1 3.09Å; E567-L571 HydrophobicContact CG-CD1 4.33Å; E567-L571 VanDerWaalsContact O-CB 3.29Å; E567-L571 WeakPolarHBondContact O-CB 3.13Å; E567-L571 WeakPolarHBondContact O-CG 3.44Å; E567-L571 PolarHBondContact O-N 2.8Å
568L78.7Confident73.2Confident88 Ų88111.5 Ų111.546%0.46156%0.56SS.*Hα-helixtrans-64.3-46.9168.9-83.6160.6000112.6I563 N564 L565 T570 L571 E572I563-L568 HydrophobicContact CG2-CD1 3.66Å; I563-L568 HydrophobicContact CG2-CD2 4.23Å; I563-L568 HydrophobicContact CG2-CG 3.63Å; N564-L568 PolarHBondContact O-N 3.1Å; L565-L568 PolarHBondContact O-N 3.49Å; L568-T570 VanDerWaalsContact C-N 3.31Å; L568-T570 PolarHBondContact O-N 2.69Å; L568-L571 PolarHBondContact O-N 2.92Å; L568-E572 PolarHBondContact O-N 3.38Å
569E81.5Confident75.3Confident127 Ų127110.8 Ų110.859%0.59356%0.557SS**Hα-helixtrans-62.5-38.2178.1-174.1178.8-168.400111.6L565 S573L565-E569 PolarHBondContact O-N 3.02Å; E569-S573 VanDerWaalsContact O-CB 3.25Å; E569-S573 WeakPolarHBondContact O-CB 3.21Å; E569-S573 PolarHBondContact O-N 3.14Å; E569-S573 PolarHBondContact O-OG 3.45Å
570T84.9Confident77.2Confident69 Ų69106.9 Ų106.942%0.42354%0.541SS..Hα-helixtrans-73.1-34.8174.552.90000112.6E566 E567 L568 N574E566-T570 WeakPolarHBondContact O-CB 3.42Å; E566-T570 VanDerWaalsContact O-CG2 3.32Å; E566-T570 WeakPolarHBondContact O-CG2 3.39Å; E566-T570 PolarHBondContact O-N 3.34Å; E566-T570 VanDerWaalsContact O-N 3.12Å; E566-T570 PolarHBondContact O-OG1 3.08Å; E567-T570 WeakPolarHBondContact CA-OG1 3.43Å; E567-T570 PolarHBondContact O-OG1 3.33Å; E567-T570 VanDerWaalsContact O-OG1 3.09Å; L568-T570 VanDerWaalsContact C-N 3.31Å; L568-T570 PolarHBondContact O-N 2.69Å; T570-N574 VanDerWaalsContact O-CB 3.27Å; T570-N574 WeakPolarHBondContact O-CB 3.3Å; T570-N574 VanDerWaalsContact O-CG 3.24Å; T570-N574 PolarHBondContact O-N 3.07Å; T570-N574 PolarHBondContact O-ND2 2.86Å
571L84.1Confident79.2Confident91 Ų91101.1 Ų101.148%0.47653%0.531SS..Hα-helixtrans-65.4-44171.8-78.8168.7000112E567 L568 N574 L575E567-L571 HydrophobicContact CG-CD1 4.33Å; E567-L571 VanDerWaalsContact O-CB 3.29Å; E567-L571 WeakPolarHBondContact O-CB 3.13Å; E567-L571 WeakPolarHBondContact O-CG 3.44Å; E567-L571 PolarHBondContact O-N 2.8Å; L568-L571 PolarHBondContact O-N 2.92Å; L571-N574 PolarHBondContact O-N 3.41Å; L571-L575 WeakPolarHBondContact O-CB 3.45Å; L571-L575 VanDerWaalsContact O-CG 3.32Å; L571-L575 WeakPolarHBondContact O-CG 3.41Å; L571-L575 PolarHBondContact O-N 3.35Å
572E85.8Confident81.3Confident133 Ų13399 Ų9962%0.62152%0.524SS*.Hα-helixtrans-61.3-47.9173.7-176177.2-168.700110.8L568 N574 L575 L576L568-E572 PolarHBondContact O-N 3.38Å; E572-N574 VanDerWaalsContact C-N 3.29Å; E572-N574 PolarHBondContact O-N 2.81Å; E572-L575 PolarHBondContact O-N 2.6Å; E572-L576 VanDerWaalsContact O-CB 3.29Å; E572-L576 WeakPolarHBondContact O-CB 3.43Å; E572-L576 PolarHBondContact O-N 2.85Å
573S86.9Confident82.9Confident69 Ų6997.6 Ų97.648%0.48351%0.512SS..Hα-helixtrans-57.3-41.6176.2-65.20000112.3E569 A577E569-S573 VanDerWaalsContact O-CB 3.25Å; E569-S573 WeakPolarHBondContact O-CB 3.21Å; E569-S573 PolarHBondContact O-N 3.14Å; E569-S573 PolarHBondContact O-OG 3.45Å; S573-A577 VanDerWaalsContact O-CB 3.27Å; S573-A577 WeakPolarHBondContact O-CB 3.3Å; S573-A577 PolarHBondContact O-N 3.24Å
574N90Very high84.2Confident93 Ų9396.3 Ų96.350%0.49751%0.513SS..Hα-helixtrans-68.8-41.8176.2-80.2-51000112.3T570 L571 E572 A577 Q578T570-N574 VanDerWaalsContact O-CB 3.27Å; T570-N574 WeakPolarHBondContact O-CB 3.3Å; T570-N574 VanDerWaalsContact O-CG 3.24Å; T570-N574 PolarHBondContact O-N 3.07Å; T570-N574 PolarHBondContact O-ND2 2.86Å; L571-N574 PolarHBondContact O-N 3.41Å; E572-N574 VanDerWaalsContact C-N 3.29Å; E572-N574 PolarHBondContact O-N 2.81Å; N574-A577 PolarHBondContact O-N 2.97Å; N574-Q578 WeakPolarHBondContact O-CB 3.49Å; N574-Q578 VanDerWaalsContact O-CG 3.29Å; N574-Q578 WeakPolarHBondContact O-CG 3.44Å; N574-Q578 PolarHBondContact O-N 3.44Å
575L87.7Confident84.7Confident112 Ų11297.2 Ų97.259%0.58651%0.514SS*.Hα-helixtrans-65.8-40.3176-75.5170.8000111.6L571 E572 Q578 Q579L571-L575 WeakPolarHBondContact O-CB 3.45Å; L571-L575 VanDerWaalsContact O-CG 3.32Å; L571-L575 WeakPolarHBondContact O-CG 3.41Å; L571-L575 PolarHBondContact O-N 3.35Å; E572-L575 PolarHBondContact O-N 2.6Å; L575-Q578 PolarHBondContact O-N 3.38Å; L575-Q579 VanDerWaalsContact O-CB 3.27Å; L575-Q579 WeakPolarHBondContact O-CB 3.19Å; L575-Q579 PolarHBondContact O-N 3.48Å
576L89.8Confident85.3Confident89 Ų8996.3 Ų96.347%0.46650%0.504SS..Hα-helixtrans-66.1-42.6175.9-167.2156.5000110.8E572 Q579 N580E572-L576 VanDerWaalsContact O-CB 3.29Å; E572-L576 WeakPolarHBondContact O-CB 3.43Å; E572-L576 PolarHBondContact O-N 2.85Å; L576-Q579 PolarHBondContact O-N 3.4Å; L576-N580 WeakPolarHBondContact CD2-ND2 3.28Å; L576-N580 WeakPolarHBondContact O-CB 3.23Å; L576-N580 PolarHBondContact O-N 3.5Å
577A88.8Confident85.4Confident57 Ų5795.1 Ų95.147%0.47150%0.499SS..Hα-helixtrans-62.7-43.217300000112.3S573 N574 N580 S581S573-A577 VanDerWaalsContact O-CB 3.27Å; S573-A577 WeakPolarHBondContact O-CB 3.3Å; S573-A577 PolarHBondContact O-N 3.24Å; N574-A577 PolarHBondContact O-N 2.97Å; A577-N580 PolarHBondContact O-N 2.87Å; A577-S581 VanDerWaalsContact O-CB 3.3Å; A577-S581 WeakPolarHBondContact O-CB 3.34Å; A577-S581 PolarHBondContact O-N 2.95Å
578Q90.8Very high85.1Confident115 Ų11594.2 Ų94.254%0.53749%0.494SS..Hα-helixtrans-63.9-44173.8-75.3-179.321.300111.8N574 L575 N580 S581 L582N574-Q578 WeakPolarHBondContact O-CB 3.49Å; N574-Q578 VanDerWaalsContact O-CG 3.29Å; N574-Q578 WeakPolarHBondContact O-CG 3.44Å; N574-Q578 PolarHBondContact O-N 3.44Å; L575-Q578 PolarHBondContact O-N 3.38Å; Q578-N580 VanDerWaalsContact C-N 3.33Å; Q578-N580 PolarHBondContact O-N 3.25Å; Q578-S581 WeakPolarHBondContact O-CB 3.2Å; Q578-S581 PolarHBondContact O-N 2.76Å; Q578-L582 WeakPolarHBondContact O-CB 3.45Å; Q578-L582 VanDerWaalsContact O-CG 3.3Å; Q578-L582 WeakPolarHBondContact O-CG 3.28Å; Q578-L582 PolarHBondContact O-N 2.7Å
579Q91.1Very high84.8Confident104 Ų10495.5 Ų95.549%0.48650%0.498SS..Hα-helixtrans-62.5-41.2178.9-163.2-160.350.700111.1L575 L576 L582 K583L575-Q579 VanDerWaalsContact O-CB 3.27Å; L575-Q579 WeakPolarHBondContact O-CB 3.19Å; L575-Q579 PolarHBondContact O-N 3.48Å; L576-Q579 PolarHBondContact O-N 3.4Å; Q579-L582 PolarHBondContact O-N 3.37Å; Q579-K583 VanDerWaalsContact CD-NZ 3.32Å; Q579-K583 HydrophobicContact CG-CD 4.46Å; Q579-K583 WeakPolarHBondContact O-CB 3.27Å; Q579-K583 WeakPolarHBondContact O-CD 3.4Å; Q579-K583 WeakPolarHBondContact O-CG 3.5Å; Q579-K583 PolarHBondContact O-N 3.14Å
580N87.4Confident84.3Confident77 Ų7794.2 Ų94.241%0.41249%0.492SS..Hα-helixtrans-69.6-38.9175.5-73-14.4000112.2L576 A577 Q578 K583 A584L576-N580 WeakPolarHBondContact CD2-ND2 3.28Å; L576-N580 WeakPolarHBondContact O-CB 3.23Å; L576-N580 PolarHBondContact O-N 3.5Å; A577-N580 PolarHBondContact O-N 2.87Å; Q578-N580 VanDerWaalsContact C-N 3.33Å; Q578-N580 PolarHBondContact O-N 3.25Å; N580-K583 PolarHBondContact O-N 3.42Å; N580-A584 WeakPolarHBondContact O-CB 3.29Å; N580-A584 PolarHBondContact O-N 3.34Å
581S90.8Very high83.6Confident78 Ų7898 Ų9855%0.54550%0.499SS..Hα-helixtrans-60.9-44172.3-173.30000112A577 Q578 A584 Q585A577-S581 VanDerWaalsContact O-CB 3.3Å; A577-S581 WeakPolarHBondContact O-CB 3.34Å; A577-S581 PolarHBondContact O-N 2.95Å; Q578-S581 WeakPolarHBondContact O-CB 3.2Å; Q578-S581 PolarHBondContact O-N 2.76Å; S581-A584 PolarHBondContact O-N 2.85Å; S581-Q585 VanDerWaalsContact O-CB 3.31Å; S581-Q585 WeakPolarHBondContact O-CB 3.32Å; S581-Q585 PolarHBondContact O-N 2.94Å
582L87.2Confident82.7Confident107 Ų10798.5 Ų98.556%0.5650%0.501SS*.Hα-helixtrans-68.3-38.8176.7-71.7170.2000112.5Q578 Q579 Q585 K586Q578-L582 WeakPolarHBondContact O-CB 3.45Å; Q578-L582 VanDerWaalsContact O-CG 3.3Å; Q578-L582 WeakPolarHBondContact O-CG 3.28Å; Q578-L582 PolarHBondContact O-N 2.7Å; Q579-L582 PolarHBondContact O-N 3.37Å; L582-Q585 PolarHBondContact O-N 3.07Å; L582-K586 VanDerWaalsContact O-CB 3.3Å; L582-K586 WeakPolarHBondContact O-CB 3.25Å; L582-K586 PolarHBondContact O-N 3.42Å
583K84.9Confident81.7Confident96 Ų9696.3 Ų96.342%0.41751%0.506SS..Hα-helixtrans-60.1-48.6171.1-75.4162.3179166.30110.9Q579 N580 K586 Q587Q579-K583 VanDerWaalsContact CD-NZ 3.32Å; Q579-K583 HydrophobicContact CG-CD 4.46Å; Q579-K583 WeakPolarHBondContact O-CB 3.27Å; Q579-K583 WeakPolarHBondContact O-CD 3.4Å; Q579-K583 WeakPolarHBondContact O-CG 3.5Å; Q579-K583 PolarHBondContact O-N 3.14Å; N580-K583 PolarHBondContact O-N 3.42Å; K583-K586 PolarHBondContact O-N 3.19Å; K583-Q587 WeakPolarHBondContact O-CB 3.3Å; K583-Q587 WeakPolarHBondContact O-CG 3.3Å; K583-Q587 PolarHBondContact O-N 3.45Å
584A82.1Confident80.5Confident49 Ų4996.6 Ų96.641%0.40551%0.512SS..Hα-helixtrans-64.5-39.317800000112.3N580 S581 Q587 Q588N580-A584 WeakPolarHBondContact O-CB 3.29Å; N580-A584 PolarHBondContact O-N 3.34Å; S581-A584 PolarHBondContact O-N 2.85Å; A584-Q587 PolarHBondContact O-N 2.93Å; A584-Q588 WeakPolarHBondContact O-CB 3.32Å; A584-Q588 PolarHBondContact O-N 2.92Å
585Q83.1Confident79.3Confident103 Ų10396.7 Ų96.748%0.48152%0.516SS..Hα-helixtrans-65.2-42.7174.6-175.6177.93.100111.5S581 L582 Q588 Q589S581-Q585 VanDerWaalsContact O-CB 3.31Å; S581-Q585 WeakPolarHBondContact O-CB 3.32Å; S581-Q585 PolarHBondContact O-N 2.94Å; L582-Q585 PolarHBondContact O-N 3.07Å; Q585-Q588 PolarHBondContact O-N 2.7Å; Q585-Q589 WeakPolarHBondContact O-CG 3.36Å; Q585-Q589 PolarHBondContact O-N 2.6Å
586K83.3Confident78.7Confident121 Ų12196.2 Ų96.253%0.52652%0.518SS..Hα-helixtrans-60.7-49.9174.3-179.9-177.1163.4-1790110.7L582 K583 Q588 Q589 E590L582-K586 VanDerWaalsContact O-CB 3.3Å; L582-K586 WeakPolarHBondContact O-CB 3.25Å; L582-K586 PolarHBondContact O-N 3.42Å; K583-K586 PolarHBondContact O-N 3.19Å; K586-Q588 VanDerWaalsContact C-N 3.25Å; K586-Q588 PolarHBondContact O-N 3.06Å; K586-Q589 CarbonylContact O-C 3.58Å; K586-Q589 PolarHBondContact O-N 3.27Å; K586-E590 WeakPolarHBondContact CE-OE1 3.44Å; K586-E590 HydrophobicContact CG-CG 4.41Å; K586-E590 IonicContact NZ-OE1 2.83Å; K586-E590 PolarHBondContact NZ-OE1 2.92Å; K586-E590 WeakPolarHBondContact O-CG 3.43Å; K586-E590 PolarHBondContact O-N 2.7Å
587Q75.3Confident78.5Confident111 Ų11195.5 Ų95.552%0.51952%0.517SS..Hα-helixtrans-61.4-31.4175.9-72.2170.1-2300112.9K583 A584 R591K583-Q587 WeakPolarHBondContact O-CB 3.3Å; K583-Q587 WeakPolarHBondContact O-CG 3.3Å; K583-Q587 PolarHBondContact O-N 3.45Å; A584-Q587 PolarHBondContact O-N 2.93Å; Q587-R591 WeakPolarHBondContact O-CB 3.29Å; Q587-R591 VanDerWaalsContact O-CG 3.31Å; Q587-R591 WeakPolarHBondContact O-CG 3.46Å; Q587-R591 PolarHBondContact O-N 3.46Å; Q587-R591 PolarHBondContact O-NE 3.35Å; Q587-R591 VanDerWaalsContact O-NE 3.14Å
588Q73.1Confident78.5Confident89 Ų8995.3 Ų95.342%0.41652%0.521SS..Hα-helixtrans-70.4-40.2172.3-174.36221.600111.6A584 Q585 K586 R591 I592A584-Q588 WeakPolarHBondContact O-CB 3.32Å; A584-Q588 PolarHBondContact O-N 2.92Å; Q585-Q588 PolarHBondContact O-N 2.7Å; K586-Q588 VanDerWaalsContact C-N 3.25Å; K586-Q588 PolarHBondContact O-N 3.06Å; Q588-R591 PolarHBondContact O-N 2.9Å; Q588-R591 VanDerWaalsContact OE1-CZ 3.31Å; Q588-I592 HydrophobicContact CG-CD1 4.01Å; Q588-I592 WeakPolarHBondContact O-CB 3.29Å; Q588-I592 WeakPolarHBondContact O-CD1 3.47Å; Q588-I592 VanDerWaalsContact O-CG1 3.23Å; Q588-I592 WeakPolarHBondContact O-CG1 3.25Å; Q588-I592 PolarHBondContact O-N 2.7Å
589Q71.4Confident78.4Confident116 Ų11694.8 Ų94.854%0.54252%0.518SS..Hα-helixtrans-68.6-39.5175.4-73.6176.3-17.100112.2Q585 K586 I592 A593Q585-Q589 WeakPolarHBondContact O-CG 3.36Å; Q585-Q589 PolarHBondContact O-N 2.6Å; K586-Q589 CarbonylContact O-C 3.58Å; K586-Q589 PolarHBondContact O-N 3.27Å; Q589-I592 PolarHBondContact O-N 3.36Å; Q589-A593 WeakPolarHBondContact O-CB 3.27Å; Q589-A593 PolarHBondContact O-N 3.45Å
590E71.4Confident78.3Confident99 Ų9994.2 Ų94.246%0.46352%0.517SS..Hα-helixtrans-63.2-42.3173.9-72.8171.4148.200111K586 A593 A594K586-E590 WeakPolarHBondContact CE-OE1 3.44Å; K586-E590 HydrophobicContact CG-CG 4.41Å; K586-E590 IonicContact NZ-OE1 2.83Å; K586-E590 PolarHBondContact NZ-OE1 2.92Å; K586-E590 WeakPolarHBondContact O-CG 3.43Å; K586-E590 PolarHBondContact O-N 2.7Å; E590-A593 PolarHBondContact O-N 3.45Å; E590-A594 VanDerWaalsContact O-CB 3.31Å; E590-A594 WeakPolarHBondContact O-CB 3.29Å; E590-A594 PolarHBondContact O-N 2.79Å
591R71.3Confident78.5Confident148 Ų14894.6 Ų94.656%0.55852%0.515SS*.Hα-helixtrans-63-40.7171.7-77.6-179.6-69.3173.6-2.3113.2Q587 Q588 A594 T595Q587-R591 WeakPolarHBondContact O-CB 3.29Å; Q587-R591 VanDerWaalsContact O-CG 3.31Å; Q587-R591 WeakPolarHBondContact O-CG 3.46Å; Q587-R591 PolarHBondContact O-N 3.46Å; Q587-R591 PolarHBondContact O-NE 3.35Å; Q587-R591 VanDerWaalsContact O-NE 3.14Å; Q588-R591 PolarHBondContact O-N 2.9Å; Q588-R591 VanDerWaalsContact OE1-CZ 3.31Å; R591-A594 CarbonylContact O-C 3.6Å; R591-A594 PolarHBondContact O-N 3.17Å; R591-T595 PolarHBondContact O-N 3Å; R591-T595 PolarHBondContact O-OG1 2.88Å
592I64.9Low78.7Confident102 Ų10295.2 Ų95.252%0.52351%0.512SS..Hα-helixtrans-69.4-34.4177.1-69.6165.2000111.7Q588 Q589 A594 T595Q588-I592 HydrophobicContact CG-CD1 4.01Å; Q588-I592 WeakPolarHBondContact O-CB 3.29Å; Q588-I592 WeakPolarHBondContact O-CD1 3.47Å; Q588-I592 VanDerWaalsContact O-CG1 3.23Å; Q588-I592 WeakPolarHBondContact O-CG1 3.25Å; Q588-I592 PolarHBondContact O-N 2.7Å; Q589-I592 PolarHBondContact O-N 3.36Å; I592-A594 VanDerWaalsContact C-N 3.32Å; I592-T595 WeakPolarHBondContact CA-OG1 3.32Å; I592-T595 PolarHBondContact O-OG1 3.24Å
593A63.7Low79Confident88 Ų8892.3 Ų92.373%0.72750%0.495SS*.Hα-helixtrans-71.1-28.2172.900000112.5Q589 E590Q589-A593 WeakPolarHBondContact O-CB 3.27Å; Q589-A593 PolarHBondContact O-N 3.45Å; E590-A593 PolarHBondContact O-N 3.45Å
594A62.2Low79.5Confident74 Ų7491 Ų9161%0.61250%0.498SS*.Hα-helixtrans-82.7-22.717500000113.9E590 R591 I592 V596E590-A594 VanDerWaalsContact O-CB 3.31Å; E590-A594 WeakPolarHBondContact O-CB 3.29Å; E590-A594 PolarHBondContact O-N 2.79Å; R591-A594 CarbonylContact O-C 3.6Å; R591-A594 PolarHBondContact O-N 3.17Å; I592-A594 VanDerWaalsContact C-N 3.32Å; A594-V596 PolarHBondContact O-N 3.22Å
595T66.3Low80.1Confident95 Ų9590.1 Ų90.158%0.58349%0.486SS*.SBendtrans-63.5111.7176.536.10000111.4R591 I592 T597R591-T595 PolarHBondContact O-N 3Å; R591-T595 PolarHBondContact O-OG1 2.88Å; I592-T595 WeakPolarHBondContact CA-OG1 3.32Å; I592-T595 PolarHBondContact O-OG1 3.24Å; T595-T597 PolarHBondContact O-N 2.8Å
596V74.5Confident80.7Confident102 Ų10288.1 Ų88.162%0.61848%0.477SS*.  trans-58.4127.3-178.6-177.60000110.5A594 M600A594-V596 PolarHBondContact O-N 3.22Å; V596-M600 HydrophobicContact CG1-CB 3.9Å; V596-M600 HydrophobicContact CG1-CE 4.33Å
597T85.3Confident81.3Confident74 Ų7484.9 Ų84.945%0.45446%0.464SS..  trans-72.4148.617669.20000111.1T595 Q599 M600 F601T595-T597 PolarHBondContact O-N 2.8Å; T597-Q599 PolarHBondContact O-N 3.47Å; T597-Q599 VanDerWaalsContact O-N 3.09Å; T597-M600 HydrophobicContact CG2-SD 4.16Å; T597-M600 PolarHBondContact O-N 3.28Å; T597-M600 VanDerWaalsContact OG1-CG 3.25Å; T597-M600 WeakPolarHBondContact OG1-CG 3.49Å; T597-M600 PolarHBondContact OG1-N 2.88Å; T597-M600 PolarHBondContact OG1-SD 2.71Å; T597-M600 VanDerWaalsContact OG1-SD 3.38Å; T597-F601 PolarHBondContact O-N 3.49Å; T597-F601 VanDerWaalsContact O-N 3.16Å
598G87.9Confident82.3Confident54 Ų5482.3 Ų82.356%0.55745%0.454SS*.Hα-helixtrans-57.3-25.3174.200000113.5L602G598-L602 WeakPolarHBondContact O-CG 3.47Å; G598-L602 PolarHBondContact O-N 3.11Å; G598-L602 VanDerWaalsContact O-N 3.16Å
599Q89.4Confident83.4Confident103 Ų10383.9 Ų83.948%0.48146%0.456SS..Hα-helixtrans-67.6-50.9173.3-175.260.625.900111.7T597 F601 L602 E603T597-Q599 PolarHBondContact O-N 3.47Å; T597-Q599 VanDerWaalsContact O-N 3.09Å; Q599-F601 PolarHBondContact O-N 2.77Å; Q599-L602 PolarHBondContact O-N 2.97Å; Q599-L602 VanDerWaalsContact O-N 3.12Å; Q599-E603 WeakPolarHBondContact CG-OE1 3.46Å; Q599-E603 PolarHBondContact NE2-OE1 2.75Å; Q599-E603 WeakPolarHBondContact O-CG 3.42Å; Q599-E603 PolarHBondContact O-N 3.03Å
600M89.9Confident84.5Confident93 Ų9379.3 Ų79.346%0.45844%0.435SS..Hα-helixtrans-58-35.8176.7-69.1159.770.200112.1V596 T597 S604V596-M600 HydrophobicContact CG1-CB 3.9Å; V596-M600 HydrophobicContact CG1-CE 4.33Å; T597-M600 HydrophobicContact CG2-SD 4.16Å; T597-M600 PolarHBondContact O-N 3.28Å; T597-M600 VanDerWaalsContact OG1-CG 3.25Å; T597-M600 WeakPolarHBondContact OG1-CG 3.49Å; T597-M600 PolarHBondContact OG1-N 2.88Å; T597-M600 PolarHBondContact OG1-SD 2.71Å; T597-M600 VanDerWaalsContact OG1-SD 3.38Å; M600-S604 VanDerWaalsContact O-CB 3.28Å; M600-S604 WeakPolarHBondContact O-CB 3.48Å; M600-S604 PolarHBondContact O-N 3.42Å; M600-S604 PolarHBondContact O-OG 2.93Å
601F91.3Very high85.7Confident85 Ų8577.2 Ų77.237%0.37343%0.425SS..Hα-helixtrans-64.5-47.8175.2176.7-100.9000112T597 Q599 E603 S604 Q605T597-F601 PolarHBondContact O-N 3.49Å; T597-F601 VanDerWaalsContact O-N 3.16Å; Q599-F601 PolarHBondContact O-N 2.77Å; F601-E603 PolarHBondContact O-N 3.43Å; F601-S604 PolarHBondContact O-N 3.11Å; F601-Q605 WeakPolarHBondContact O-CG 3.48Å; F601-Q605 PolarHBondContact O-N 3.21Å
602L94.2Very high86.7Confident91 Ų9170.9 Ų70.948%0.47641%0.405SS..Hα-helixtrans-64.2-39.5177.1-70.3172.6000112.7G598 Q599 Q605 E606G598-L602 WeakPolarHBondContact O-CG 3.47Å; G598-L602 PolarHBondContact O-N 3.11Å; G598-L602 VanDerWaalsContact O-N 3.16Å; Q599-L602 PolarHBondContact O-N 2.97Å; Q599-L602 VanDerWaalsContact O-N 3.12Å; L602-Q605 PolarHBondContact O-N 2.86Å; L602-E606 WeakPolarHBondContact O-CB 3.4Å; L602-E606 PolarHBondContact O-N 3.12Å
603E94.2Very high88.2Confident46 Ų4669.6 Ų69.622%0.21540%0.399CS..Hα-helixtrans-66.6-40.2176.2-70.6169.8169.500112Q599 F601 E606 L607 Y797Q599-E603 WeakPolarHBondContact CG-OE1 3.46Å; Q599-E603 PolarHBondContact NE2-OE1 2.75Å; Q599-E603 WeakPolarHBondContact O-CG 3.42Å; Q599-E603 PolarHBondContact O-N 3.03Å; F601-E603 PolarHBondContact O-N 3.43Å; E603-E606 WeakPolarHBondContact O-CB 3.31Å; E603-E606 PolarHBondContact O-N 3.16Å; E603-L607 PolarHBondContact O-N 3.25Å; E603-Y797 HydrophobicContact CG-CE1 4.08Å; E603-Y797 WeakPolarHBondContact OE1-CE1 3.3Å
604S95.1Very high89.7Confident68 Ų6867.3 Ų67.348%0.47638%0.377SS..Hα-helixtrans-64.3-44.1174.4-59.80000111.3M600 F601 E606 L607 L608M600-S604 VanDerWaalsContact O-CB 3.28Å; M600-S604 WeakPolarHBondContact O-CB 3.48Å; M600-S604 PolarHBondContact O-N 3.42Å; M600-S604 PolarHBondContact O-OG 2.93Å; F601-S604 PolarHBondContact O-N 3.11Å; S604-E606 VanDerWaalsContact C-N 3.33Å; S604-E606 PolarHBondContact O-N 3.23Å; S604-L607 PolarHBondContact O-N 3.42Å; S604-L608 VanDerWaalsContact O-CG 3.29Å; S604-L608 WeakPolarHBondContact O-CG 3.49Å; S604-L608 PolarHBondContact O-N 3.12Å
605Q94.6Very high91.3Very high30 Ų3068.1 Ų68.114%0.1436%0.364CS..Hα-helixtrans-64.5-35.4173.2-69.5-172.4-6.600112.7F601 L602 L608 R609 Y615F601-Q605 WeakPolarHBondContact O-CG 3.48Å; F601-Q605 PolarHBondContact O-N 3.21Å; L602-Q605 PolarHBondContact O-N 2.86Å; Q605-L608 PolarHBondContact O-N 3.16Å; Q605-R609 VanDerWaalsContact CB-NH1 3.35Å; Q605-R609 VanDerWaalsContact O-CG 3.28Å; Q605-R609 WeakPolarHBondContact O-CG 3.28Å; Q605-R609 PolarHBondContact O-N 2.99Å; Q605-R609 PolarHBondContact O-NE 3.13Å; Q605-R609 VanDerWaalsContact OE1-NH1 3.15Å; Q605-Y615 HydrophobicContact CB-CE1 4.35Å; Q605-Y615 HydrophobicContact CB-CE2 4.26Å; Q605-Y615 HydrophobicContact CG-CD2 4.07Å; Q605-Y615 HydrophobicContact CG-CE2 3.64Å
606E95.3Very high92.6Very high62 Ų6267.7 Ų67.729%0.2936%0.358SS..Hα-helixtrans-60.1-52.1174.2-172.9177.8167.100110L602 E603 S604 L608 R609 L610 F793L602-E606 WeakPolarHBondContact O-CB 3.4Å; L602-E606 PolarHBondContact O-N 3.12Å; E603-E606 WeakPolarHBondContact O-CB 3.31Å; E603-E606 PolarHBondContact O-N 3.16Å; S604-E606 VanDerWaalsContact C-N 3.33Å; S604-E606 PolarHBondContact O-N 3.23Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 2.74Å; E606-R609 VanDerWaalsContact CA-NH2 3.29Å; E606-R609 WeakPolarHBondContact O-CB 3.1Å; E606-R609 PolarHBondContact O-N 3.23Å; E606-R609 VanDerWaalsContact O-N 3.12Å; E606-L610 HydrophobicContact CG-CD1 4.45Å; E606-L610 HydrophobicContact CG-CG 4.46Å; E606-L610 WeakPolarHBondContact O-CG 3.2Å; E606-L610 PolarHBondContact O-N 3.13Å; E606-F793 HydrophobicContact CB-CE2 4.2Å; E606-F793 HydrophobicContact CG-CD2 4.2Å; E606-F793 HydrophobicContact CG-CE2 4.13Å
607L96.1Very high93.6Very high52 Ų5268.8 Ų68.827%0.27236%0.356SS..Hα-helixtrans-57-44.2177.5-169.360.5000112.3E603 S604 R609 L610 F611 F793E603-L607 PolarHBondContact O-N 3.25Å; S604-L607 PolarHBondContact O-N 3.42Å; L607-R609 PolarHBondContact O-N 2.93Å; L607-L610 PolarHBondContact O-N 2.94Å; L607-F611 HydrophobicContact CD1-CD2 3.92Å; L607-F611 HydrophobicContact CD1-CE2 3.71Å; L607-F611 HydrophobicContact CG-CD2 4.2Å; L607-F611 HydrophobicContact CG-CE2 4.27Å; L607-F611 WeakPolarHBondContact O-CD2 3.4Å; L607-F611 PolarHBondContact O-N 2.87Å; L607-F793 HydrophobicContact CB-CE1 4.38Å; L607-F793 HydrophobicContact CB-CE2 4.42Å; L607-F793 HydrophobicContact CB-CZ 4.05Å; L607-F793 HydrophobicContact CD1-CD1 3.85Å; L607-F793 HydrophobicContact CD1-CE1 3.8Å; L607-F793 HydrophobicContact CD1-CG 4.39Å; L607-F793 HydrophobicContact CD1-CZ 4.27Å; L607-F793 HydrophobicContact CD2-CE1 4.35Å; L607-F793 HydrophobicContact CG-CE1 4.41Å
608L96.3Very high94Very high58 Ų5865.8 Ų65.830%0.30434%0.339SS..Hα-helixtrans-61.3-43.6176-69.9167.3000112.2S604 Q605 E606 L610 F611 G612 I613 Y615S604-L608 VanDerWaalsContact O-CG 3.29Å; S604-L608 WeakPolarHBondContact O-CG 3.49Å; S604-L608 PolarHBondContact O-N 3.12Å; Q605-L608 PolarHBondContact O-N 3.16Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 2.74Å; L608-L610 VanDerWaalsContact C-N 3.34Å; L608-L610 PolarHBondContact O-N 2.82Å; L608-F611 PolarHBondContact O-N 3.21Å; L608-G612 PolarHBondContact O-N 3.01Å; L608-I613 HydrophobicContact CD2-CB 3.92Å; L608-I613 HydrophobicContact CD2-CD1 4.19Å; L608-I613 HydrophobicContact CD2-CG2 3.84Å; L608-I613 PolarHBondContact O-N 2.87Å; L608-Y615 HydrophobicContact CB-CD1 4.09Å; L608-Y615 HydrophobicContact CD1-CD1 4.34Å; L608-Y615 HydrophobicContact CD1-CG 4.4Å
609R95.8Very high94.3Very high121 Ų12166.5 Ų66.546%0.45733%0.334SS..Hα-helixtrans-60.5-41.5173.1-71.5-179.6-64.8-104.41.9111.7Q605 E606 L607 G612 Y615Q605-R609 VanDerWaalsContact CB-NH1 3.35Å; Q605-R609 VanDerWaalsContact O-CG 3.28Å; Q605-R609 WeakPolarHBondContact O-CG 3.28Å; Q605-R609 PolarHBondContact O-N 2.99Å; Q605-R609 PolarHBondContact O-NE 3.13Å; Q605-R609 VanDerWaalsContact OE1-NH1 3.15Å; E606-R609 VanDerWaalsContact CA-NH2 3.29Å; E606-R609 WeakPolarHBondContact O-CB 3.1Å; E606-R609 PolarHBondContact O-N 3.23Å; E606-R609 VanDerWaalsContact O-N 3.12Å; L607-R609 PolarHBondContact O-N 2.93Å; R609-G612 PolarHBondContact O-N 2.98Å; R609-G612 VanDerWaalsContact O-N 3.13Å; R609-Y615 HydrophobicContact CG-CE1 3.86Å; R609-Y615 PolarHBondContact NH1-OH 3.16Å
610L95.8Very high94.4Very high20 Ų2068.1 Ų68.111%0.10534%0.343CS..Hα-helixtrans-67.7-33.9179.5-65.8-171.8000113E606 L607 L608 G612 P785 D786 K789 I790 F793E606-L610 HydrophobicContact CG-CD1 4.45Å; E606-L610 HydrophobicContact CG-CG 4.46Å; E606-L610 WeakPolarHBondContact O-CG 3.2Å; E606-L610 PolarHBondContact O-N 3.13Å; L607-L610 PolarHBondContact O-N 2.94Å; L608-L610 VanDerWaalsContact C-N 3.34Å; L608-L610 PolarHBondContact O-N 2.82Å; L610-G612 VanDerWaalsContact C-N 3.3Å; L610-P785 CarbonylContact O-C 3.56Å; L610-P785 WeakPolarHBondContact O-CA 3.22Å; L610-D786 PolarHBondContact O-N 3.19Å; L610-K789 HydrophobicContact CD1-CB 4.14Å; L610-K789 HydrophobicContact CD2-CB 3.52Å; L610-K789 HydrophobicContact CD2-CD 3.65Å; L610-K789 HydrophobicContact CD2-CG 4.24Å; L610-K789 HydrophobicContact CG-CB 4.39Å; L610-I790 HydrophobicContact CB-CG1 3.77Å; L610-I790 HydrophobicContact CD1-CG1 4.49Å; L610-F793 HydrophobicContact CD1-CB 3.8Å; L610-F793 HydrophobicContact CD1-CD2 3.97Å; L610-F793 HydrophobicContact CD1-CG 4.13Å
611F94.9Very high94.6Very high56 Ų5667 Ų6725%0.24634%0.337CS..Hα-helixtrans-79.7-9.2171.5-86.3-95.8000113.8L607 L608 I613 P785 I790 L809L607-F611 HydrophobicContact CD1-CD2 3.92Å; L607-F611 HydrophobicContact CD1-CE2 3.71Å; L607-F611 HydrophobicContact CG-CD2 4.2Å; L607-F611 HydrophobicContact CG-CE2 4.27Å; L607-F611 WeakPolarHBondContact O-CD2 3.4Å; L607-F611 PolarHBondContact O-N 2.87Å; L608-F611 PolarHBondContact O-N 3.21Å; F611-I613 VanDerWaalsContact C-N 3.35Å; F611-I613 HydrophobicContact CB-CD1 3.87Å; F611-I613 HydrophobicContact CB-CG1 3.99Å; F611-P785 HydrophobicContact CD1-CB 4.46Å; F611-P785 HydrophobicContact CD1-CG 4.43Å; F611-I790 HydrophobicContact CD1-CD1 4.41Å; F611-I790 HydrophobicContact CD2-CD1 3.94Å; F611-I790 HydrophobicContact CD2-CG1 4.3Å; F611-I790 HydrophobicContact CE1-CD1 4.39Å; F611-I790 HydrophobicContact CE2-CD1 3.91Å; F611-I790 HydrophobicContact CE2-CG1 4.2Å; F611-I790 HydrophobicContact CE2-CG2 4.03Å; F611-I790 HydrophobicContact CG-CD1 4.21Å; F611-I790 HydrophobicContact CZ-CD1 4.15Å; F611-I790 HydrophobicContact CZ-CG2 4.34Å; F611-L809 HydrophobicContact CE1-CD2 3.8Å; F611-L809 HydrophobicContact CZ-CD2 3.55Å
612G93.9Very high94.7Very high14 Ų1465.6 Ų65.614%0.14434%0.34CS..THydrogen-bonded Turntrans73.922.2-175.300000114.1L608 R609 L610 G783L608-G612 PolarHBondContact O-N 3.01Å; R609-G612 PolarHBondContact O-N 2.98Å; R609-G612 VanDerWaalsContact O-N 3.13Å; L610-G612 VanDerWaalsContact C-N 3.3Å; G612-G783 PolarHBondContact O-N 3.42Å
613I95.4Very high94.8Very high76 Ų7662.7 Ų62.739%0.3932%0.324SS..  trans-88.6125.5-178.9-61.9170.7000109.2L608 F611L608-I613 HydrophobicContact CD2-CB 3.92Å; L608-I613 HydrophobicContact CD2-CD1 4.19Å; L608-I613 HydrophobicContact CD2-CG2 3.84Å; L608-I613 PolarHBondContact O-N 2.87Å; F611-I613 VanDerWaalsContact C-N 3.35Å; F611-I613 HydrophobicContact CB-CD1 3.87Å; F611-I613 HydrophobicContact CB-CG1 3.99Å
614P95.3Very high94.9Very high40 Ų4060.6 Ų60.626%0.2632%0.315SS..  trans-69.2143.9175.428.2-32.7000111.1F780 L781 W782P614-F780 HydrophobicContact CG-CB 4.27Å; P614-L781 WeakPolarHBondContact CB-O 3.4Å; P614-W782 VanDerWaalsContact CD-CD1 3.44Å; P614-W782 HydrophobicContact CG-CD2 4.04Å; P614-W782 HydrophobicContact CG-CG 4.26Å; P614-W782 HydrophobicContact CG-CZ2 4.14Å
615Y95.5Very high95Very high91 Ų9157.8 Ų57.836%0.35729%0.294SS..  trans-137.5157.9170.763.4-84.3000109.3Q605 L608 R609Q605-Y615 HydrophobicContact CB-CE1 4.35Å; Q605-Y615 HydrophobicContact CB-CE2 4.26Å; Q605-Y615 HydrophobicContact CG-CD2 4.07Å; Q605-Y615 HydrophobicContact CG-CE2 3.64Å; L608-Y615 HydrophobicContact CB-CD1 4.09Å; L608-Y615 HydrophobicContact CD1-CD1 4.34Å; L608-Y615 HydrophobicContact CD1-CG 4.4Å; R609-Y615 HydrophobicContact CG-CE1 3.86Å; R609-Y615 PolarHBondContact NH1-OH 3.16Å
616I94.8Very high95.1Very high86 Ų8658.3 Ų58.344%0.44130%0.301SS..  trans-129.1159172.658.8171.6000109.1Q625 L629 F780I616-Q625 HydrophobicContact CD1-CG 3.77Å; I616-L629 HydrophobicContact CD1-CD1 3.93Å; I616-F780 HydrophobicContact CG2-CE1 3.94Å
617Q93.9Very high95.1Very high124 Ų12455.4 Ų55.458%0.57929%0.288SS*.  trans-97.8121.1168.7178.15453.500108.6
618A94.8Very high95.2Very high12 Ų1254.7 Ų54.710%0.09928%0.284CS..  trans-65.1143.8170.900000110.3M620 Q625A618-M620 VanDerWaalsContact C-N 3.29Å; A618-M620 PolarHBondContact O-N 2.95Å; A618-Q625 HydrophobicContact CB-CB 3.68Å; A618-Q625 HydrophobicContact CB-CG 4.09Å
619P93.4Very high95.1Very high68 Ų6852.7 Ų52.744%0.44227%0.273SS..SBendtrans-63.8-35.1176.7-23.434.5000113.1Q625 V772 D774P619-Q625 VanDerWaalsContact CD-OE1 3.31Å; P619-V772 HydrophobicContact CB-CG1 4.03Å; P619-D774 HydrophobicContact CG-CB 4.22Å
620M92.1Very high95.1Very high138 Ų13847 Ų4768%0.6825%0.252SS*.SBendtrans-138.7-90.6171.4-69.1-176.364.500109.6A618 V772A618-M620 VanDerWaalsContact C-N 3.29Å; A618-M620 PolarHBondContact O-N 2.95Å; M620-V772 HydrophobicContact CG-CB 4.11Å; M620-V772 HydrophobicContact SD-CB 3.77Å; M620-V772 HydrophobicContact SD-CG2 3.66Å
621E93.6Very high95Very high69 Ų6949.4 Ų49.432%0.32226%0.264SS..  trans-85.5132.7-169.2-168.259.9-91.900112.6A624 Q625 F648 Y694E621-A624 HydrophobicContact CB-CB 3.84Å; E621-A624 HydrophobicContact CG-CB 4.28Å; E621-Q625 PolarHBondContact O-N 3.16Å; E621-Q625 VanDerWaalsContact O-N 3.16Å; E621-F648 HydrophobicContact CB-CZ 4.42Å; E621-F648 HydrophobicContact CG-CE2 3.82Å; E621-F648 HydrophobicContact CG-CZ 3.74Å; E621-Y694 WeakPolarHBondContact CG-OH 3.33Å; E621-Y694 PolarHBondContact OE2-OH 3.17Å
622A94.7Very high95Very high55 Ų5547.9 Ų47.946%0.45526%0.26SS..Hα-helixtrans-70.1-45.5-176.100000111.6A624 Q625 C626A622-A624 VanDerWaalsContact C-N 3.3Å; A622-A624 PolarHBondContact O-N 3.43Å; A622-Q625 WeakPolarHBondContact O-CB 3.49Å; A622-Q625 PolarHBondContact O-N 3.45Å; A622-Q625 VanDerWaalsContact O-N 3.1Å; A622-C626 PolarHBondContact O-N 2.96Å; A622-C626 PolarHBondContact O-SG 3.22Å; A622-C626 VanDerWaalsContact O-SG 3.35Å
623E95.4Very high94.9Very high30 Ų3053.2 Ų53.214%0.1429%0.285CS..Hα-helixtrans-67.8-30.7179.6-68.8-62.6172.300112.5C626 A627 T640 I645 F648E623-C626 PolarHBondContact O-N 3.37Å; E623-A627 WeakPolarHBondContact O-CB 3.48Å; E623-A627 PolarHBondContact O-N 3.38Å; E623-T640 WeakPolarHBondContact OE1-CB 3.26Å; E623-T640 PolarHBondContact OE1-OG1 2.7Å; E623-I645 HydrophobicContact CB-CB 4.14Å; E623-I645 HydrophobicContact CB-CG1 4.14Å; E623-I645 HydrophobicContact CG-CB 4.44Å; E623-I645 VanDerWaalsContact OE2-CD1 3.27Å; E623-I645 WeakPolarHBondContact OE2-CD1 3.21Å; E623-I645 VanDerWaalsContact OE2-CG1 3.29Å; E623-I645 WeakPolarHBondContact OE2-CG1 3.41Å; E623-F648 HydrophobicContact CB-CD2 4.06Å; E623-F648 HydrophobicContact CB-CE2 4.26Å
624A96.1Very high94.8Very high2 Ų251.6 Ų51.62%0.01728%0.276CS..Hα-helixtrans-64.9-41.3170.300000112.1E621 A622 A627 I628 F648 P771 V773E621-A624 HydrophobicContact CB-CB 3.84Å; E621-A624 HydrophobicContact CG-CB 4.28Å; A622-A624 VanDerWaalsContact C-N 3.3Å; A622-A624 PolarHBondContact O-N 3.43Å; A624-A627 PolarHBondContact O-N 3.22Å; A624-I628 PolarHBondContact O-N 3.2Å; A624-F648 HydrophobicContact CB-CB 4.3Å; A624-F648 HydrophobicContact CB-CD1 3.69Å; A624-F648 HydrophobicContact CB-CD2 4.16Å; A624-F648 HydrophobicContact CB-CE1 4Å; A624-F648 HydrophobicContact CB-CE2 4.47Å; A624-F648 HydrophobicContact CB-CG 3.77Å; A624-F648 HydrophobicContact CB-CZ 4.4Å; A624-P771 HydrophobicContact CB-CB 3.51Å; A624-P771 HydrophobicContact CB-CG 3.74Å; A624-V773 HydrophobicContact CB-CG1 3.66Å
625Q97.1Very high94.7Very high9 Ų952 Ų524%0.04228%0.277CS..Hα-helixtrans-66.5-38.6175.8-169.361.450.900111.6I616 A618 P619 E621 A622 I628 L629 D774I616-Q625 HydrophobicContact CD1-CG 3.77Å; A618-Q625 HydrophobicContact CB-CB 3.68Å; A618-Q625 HydrophobicContact CB-CG 4.09Å; P619-Q625 VanDerWaalsContact CD-OE1 3.31Å; E621-Q625 PolarHBondContact O-N 3.16Å; E621-Q625 VanDerWaalsContact O-N 3.16Å; A622-Q625 WeakPolarHBondContact O-CB 3.49Å; A622-Q625 PolarHBondContact O-N 3.45Å; A622-Q625 VanDerWaalsContact O-N 3.1Å; Q625-I628 VanDerWaalsContact O-CG2 3.29Å; Q625-I628 WeakPolarHBondContact O-CG2 3.46Å; Q625-L629 WeakPolarHBondContact O-CG 3.45Å; Q625-L629 PolarHBondContact O-N 3.37Å; Q625-D774 PolarHBondContact NE2-O 3.21Å
626C97Very high94.5Very high42 Ų4249.9 Ų49.928%0.28428%0.276SS..Hα-helixtrans-63.5-43.4172.3-670000112A622 E623 I628 L629 D630 T638 I645A622-C626 PolarHBondContact O-N 2.96Å; A622-C626 PolarHBondContact O-SG 3.22Å; A622-C626 VanDerWaalsContact O-SG 3.35Å; E623-C626 PolarHBondContact O-N 3.37Å; C626-I628 PolarHBondContact O-N 2.66Å; C626-L629 PolarHBondContact O-N 3.38Å; C626-D630 PolarHBondContact O-N 2.67Å; C626-D630 VanDerWaalsContact O-N 3.13Å; C626-T638 HydrophobicContact CB-CG2 3.59Å; C626-I645 HydrophobicContact CB-CD1 4.38Å
627A96.4Very high94.4Very high1 Ų146.5 Ų46.51%0.00826%0.263CS..Hα-helixtrans-62.3-41.2177.800000112.7E623 A624 L629 D630 L631 I645 F648 A650E623-A627 WeakPolarHBondContact O-CB 3.48Å; E623-A627 PolarHBondContact O-N 3.38Å; A624-A627 PolarHBondContact O-N 3.22Å; A627-L629 VanDerWaalsContact C-N 3.34Å; A627-L629 PolarHBondContact O-N 3.22Å; A627-D630 PolarHBondContact O-N 3.31Å; A627-L631 WeakPolarHBondContact O-CB 3.29Å; A627-L631 VanDerWaalsContact O-CG 3.24Å; A627-L631 WeakPolarHBondContact O-CG 3.44Å; A627-L631 PolarHBondContact O-N 3.46Å; A627-I645 HydrophobicContact CB-CG1 4.3Å; A627-F648 HydrophobicContact CB-CB 3.77Å; A627-A650 HydrophobicContact CB-CB 4.05Å
628I96.4Very high94.5Very high37 Ų3741.1 Ų41.119%0.1924%0.238CC..Hα-helixtrans-69.5-30.8176.8-164.160.4000112.4A624 Q625 C626 L631 T632 V773 D775A624-I628 PolarHBondContact O-N 3.2Å; Q625-I628 VanDerWaalsContact O-CG2 3.29Å; Q625-I628 WeakPolarHBondContact O-CG2 3.46Å; C626-I628 PolarHBondContact O-N 2.66Å; I628-L631 HydrophobicContact CD1-CB 4.34Å; I628-L631 PolarHBondContact O-N 3.1Å; I628-T632 HydrophobicContact CD1-CG2 4.1Å; I628-T632 HydrophobicContact CG1-CG2 4.14Å; I628-T632 WeakPolarHBondContact O-CB 3.49Å; I628-T632 WeakPolarHBondContact O-CG2 3.49Å; I628-T632 PolarHBondContact O-N 3.38Å; I628-T632 PolarHBondContact O-OG1 3.09Å; I628-V773 HydrophobicContact CB-CB 4.47Å; I628-V773 HydrophobicContact CB-CG2 4.11Å; I628-V773 HydrophobicContact CG1-CG2 4.14Å; I628-V773 HydrophobicContact CG2-CB 3.91Å; I628-V773 HydrophobicContact CG2-CG1 4.38Å; I628-V773 HydrophobicContact CG2-CG2 4.02Å; I628-D775 HydrophobicContact CG1-CB 4.39Å
629L95.8Very high94.5Very high16 Ų1644.5 Ų44.58%0.08425%0.254CS..Hα-helixtrans-68.3-37.3175-70.9176.5000112.8I616 Q625 C626 A627 T632 Q634 T635 F780I616-L629 HydrophobicContact CD1-CD1 3.93Å; Q625-L629 WeakPolarHBondContact O-CG 3.45Å; Q625-L629 PolarHBondContact O-N 3.37Å; C626-L629 PolarHBondContact O-N 3.38Å; A627-L629 VanDerWaalsContact C-N 3.34Å; A627-L629 PolarHBondContact O-N 3.22Å; L629-T632 PolarHBondContact O-OG1 3.16Å; L629-Q634 HydrophobicContact CB-CB 4.49Å; L629-Q634 HydrophobicContact CD2-CB 3.93Å; L629-Q634 HydrophobicContact CD2-CG 4.42Å; L629-Q634 PolarHBondContact O-N 3.43Å; L629-T635 HydrophobicContact CB-CG2 3.96Å; L629-T635 HydrophobicContact CD1-CG2 4.45Å; L629-T635 PolarHBondContact O-N 3.32Å; L629-F780 HydrophobicContact CD1-CZ 3.97Å; L629-F780 HydrophobicContact CD2-CE2 4.23Å; L629-F780 HydrophobicContact CD2-CZ 3.84Å
630D95.3Very high94.6Very high1 Ų142.2 Ų42.21%0.00524%0.238CC..Hα-helixtrans-70.8-39.4171.9-17640.3000111.5C626 A627 T632 D633 T635 G637 R651 H652C626-D630 PolarHBondContact O-N 2.67Å; C626-D630 VanDerWaalsContact O-N 3.13Å; A627-D630 PolarHBondContact O-N 3.31Å; D630-T632 VanDerWaalsContact C-N 3.33Å; D630-T632 PolarHBondContact O-N 2.92Å; D630-D633 PolarHBondContact O-N 2.85Å; D630-T635 WeakPolarHBondContact CA-OG1 3.4Å; D630-T635 PolarHBondContact N-OG1 2.79Å; D630-G637 WeakPolarHBondContact OD1-CA 3.23Å; D630-G637 PolarHBondContact OD1-N 3.33Å; D630-R651 WeakPolarHBondContact OD2-CA 3.45Å; D630-R651 WeakPolarHBondContact OD2-CB 3.32Å; D630-R651 PolarHBondContact OD2-N 3.06Å; D630-H652 IonicContact OD1-CE1 2.75Å; D630-H652 IonicContact OD1-CG 2.74Å; D630-H652 IonicContact OD1-ND1 3.74Å; D630-H652 PolarHBondContact OD1-ND1 3.38Å; D630-H652 PolarHBondContact OD2-N 3.07Å; D630-H652 IonicContact OD2-ND1 2.79Å
631L94.1Very high94.6Very high70 Ų7040 Ų4037%0.36623%0.229SC..Hα-helixtrans-69-25175.9-74.6168.1000114.2A627 I628 R651A627-L631 WeakPolarHBondContact O-CB 3.29Å; A627-L631 VanDerWaalsContact O-CG 3.24Å; A627-L631 WeakPolarHBondContact O-CG 3.44Å; A627-L631 PolarHBondContact O-N 3.46Å; I628-L631 HydrophobicContact CD1-CB 4.34Å; I628-L631 PolarHBondContact O-N 3.1Å; L631-R651 HydrophobicContact CD2-CG 4.03Å
632T94.4Very high94.6Very high25 Ų2539.4 Ų39.415%0.15323%0.229CC..THydrogen-bonded Turntrans-95.28.3178.452.80000113.9I628 L629 D630 Q634 K777I628-T632 HydrophobicContact CD1-CG2 4.1Å; I628-T632 HydrophobicContact CG1-CG2 4.14Å; I628-T632 WeakPolarHBondContact O-CB 3.49Å; I628-T632 WeakPolarHBondContact O-CG2 3.49Å; I628-T632 PolarHBondContact O-N 3.38Å; I628-T632 PolarHBondContact O-OG1 3.09Å; L629-T632 PolarHBondContact O-OG1 3.16Å; D630-T632 VanDerWaalsContact C-N 3.33Å; D630-T632 PolarHBondContact O-N 2.92Å; T632-Q634 PolarHBondContact O-N 3.33Å; T632-Q634 WeakPolarHBondContact OG1-CG 3.46Å; T632-Q634 PolarHBondContact OG1-NE2 3.3Å; T632-K777 PolarHBondContact O-NZ 3.09Å
633D92.6Very high94.5Very high126 Ų12640.4 Ų40.467%0.67423%0.232SC*.THydrogen-bonded Turntrans55.629.2-174.6-60.7-59.6000113.5D630 R651D630-D633 PolarHBondContact O-N 2.85Å; D633-R651 IonicContact OD1-NH1 2.82Å
634Q92.3Very high94.5Very high42 Ų4239.6 Ų39.620%0.19623%0.229CC..SBendtrans-86.9-26.5177.1-64.4-168.281.600112.7L629 T632 S776 F780L629-Q634 HydrophobicContact CB-CB 4.49Å; L629-Q634 HydrophobicContact CD2-CB 3.93Å; L629-Q634 HydrophobicContact CD2-CG 4.42Å; L629-Q634 PolarHBondContact O-N 3.43Å; T632-Q634 PolarHBondContact O-N 3.33Å; T632-Q634 WeakPolarHBondContact OG1-CG 3.46Å; T632-Q634 PolarHBondContact OG1-NE2 3.3Å; Q634-S776 PolarHBondContact NE2-O 3.19Å; Q634-S776 PolarHBondContact OE1-O 3.12Å; Q634-F780 HydrophobicContact CB-CE2 4.28Å
635T93Very high94.5Very high47 Ų4739.5 Ų39.529%0.28823%0.228SC..SBendtrans-115.5-173.7167.9600000110.5L629 D630L629-T635 HydrophobicContact CB-CG2 3.96Å; L629-T635 HydrophobicContact CD1-CG2 4.45Å; L629-T635 PolarHBondContact O-N 3.32Å; D630-T635 WeakPolarHBondContact CA-OG1 3.4Å; D630-T635 PolarHBondContact N-OG1 2.79Å
636S90.8Very high94.5Very high48 Ų4840.6 Ų40.634%0.33623%0.231SC..SBendtrans-121.137.4171.5-61.80000110.7Y654S636-Y654 WeakPolarHBondContact O-CE2 3.21Å; S636-Y654 PolarHBondContact O-OH 3.19Å
637G92.8Very high94.5Very high15 Ų1539 Ų3916%0.15522%0.22CC..  trans106.3178.8-170.500000114.7D630 H652D630-G637 WeakPolarHBondContact OD1-CA 3.23Å; D630-G637 PolarHBondContact OD1-N 3.33Å; G637-H652 CarbonylContact C-O 3.49Å; G637-H652 WeakPolarHBondContact CA-O 3.37Å
638T95.8Very high94.5Very high11 Ų1139.3 Ų39.37%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-118.3140.4-173.4-51.90000111.2C626 T640 I645 H652 V653 Y654C626-T638 HydrophobicContact CB-CG2 3.59Å; T638-T640 HydrophobicContact CG2-CG2 4.14Å; T638-I645 VanDerWaalsContact CB-CD1 3.43Å; T638-I645 HydrophobicContact CG2-CD1 3.65Å; T638-I645 WeakPolarHBondContact OG1-CD1 3.08Å; T638-H652 PolarHBondContact N-O 3.38Å; T638-V653 WeakPolarHBondContact O-CA 3.47Å; T638-Y654 WeakPolarHBondContact O-CD2 3.25Å; T638-Y654 PolarHBondContact O-N 3.01Å
639I95.8Very high94.4Very high83 Ų8338 Ų3843%0.42622%0.217SC..EExtended strand (participates in β ladder)trans-92.4106.1167.6-60.9170.7000107.5Y654 F657 F658I639-Y654 WeakPolarHBondContact CA-O 3.22Å; I639-Y654 HydrophobicContact CG1-CD2 4.46Å; I639-F657 HydrophobicContact CD1-CD1 4.49Å; I639-F657 HydrophobicContact CD1-CD2 4.04Å; I639-F657 HydrophobicContact CD1-CE1 4.46Å; I639-F657 HydrophobicContact CD1-CE2 4.01Å; I639-F657 HydrophobicContact CD1-CG 4.3Å; I639-F657 HydrophobicContact CD1-CZ 4.23Å; I639-F657 HydrophobicContact CG1-CD2 4.34Å; I639-F657 HydrophobicContact CG2-CB 3.58Å; I639-F657 HydrophobicContact CG2-CD1 4.36Å; I639-F657 HydrophobicContact CG2-CD2 4.33Å; I639-F657 HydrophobicContact CG2-CG 3.85Å; I639-F658 HydrophobicContact CG2-CE2 4.26Å
640T94.5Very high94.4Very high19 Ų1937.3 Ų37.312%0.11721%0.213CC..  trans-154.7154.2175.5-170.90000110.8E623 T638 D642 I645 V653 Y654E623-T640 WeakPolarHBondContact OE1-CB 3.26Å; E623-T640 PolarHBondContact OE1-OG1 2.7Å; T638-T640 HydrophobicContact CG2-CG2 4.14Å; T640-D642 PolarHBondContact OG1-N 3.07Å; T640-I645 HydrophobicContact CG2-CB 4.34Å; T640-I645 HydrophobicContact CG2-CD1 4.09Å; T640-I645 HydrophobicContact CG2-CG2 3.99Å; T640-V653 HydrophobicContact CG2-CG1 3.91Å; T640-Y654 PolarHBondContact N-O 2.88Å
641D92.9Very high94.4Very high91 Ų9142 Ų4249%0.48723%0.231SC..SBendtrans-98-9.7173.7-69.7-29.6000112.8R655 N656D641-R655 PolarHBondContact O-NE 3.09Å; D641-R655 WeakPolarHBondContact OD1-CG 3.33Å; D641-N656 WeakPolarHBondContact OD1-CA 3.36Å; D641-N656 PolarHBondContact OD1-N 2.68Å
642D93.6Very high94.4Very high58 Ų5840.4 Ų40.431%0.3122%0.222SC..  trans-74.3148.3178.4-178.122.2000112.6T640 D644T640-D642 PolarHBondContact OG1-N 3.07Å; D642-D644 PolarHBondContact OD1-N 2.97Å
643S93.6Very high94.4Very high75 Ų7539.3 Ų39.352%0.52422%0.215SC..SBendtrans-91.7-22.417450.90000114.2I645 W646S643-I645 PolarHBondContact O-N 3.14Å; S643-W646 WeakPolarHBondContact O-CB 3.41Å; S643-W646 PolarHBondContact O-N 3.17Å
644D94.5Very high94.4Very high13 Ų1333.9 Ų33.97%0.0719%0.185CC..THydrogen-bonded Turntrans-72.2-16.4-170.7-75.49.1000112.5D642 W646 L647 F648 S692 D693 Y768D642-D644 PolarHBondContact OD1-N 2.97Å; D644-W646 PolarHBondContact O-N 3.07Å; D644-W646 VanDerWaalsContact O-N 3.12Å; D644-L647 HydrophobicContact CB-CD1 3.98Å; D644-L647 HydrophobicContact CB-CG 4.5Å; D644-L647 WeakPolarHBondContact O-CA 3.24Å; D644-L647 WeakPolarHBondContact O-CB 3.48Å; D644-L647 PolarHBondContact O-N 3.1Å; D644-L647 WeakPolarHBondContact OD1-CD1 3.37Å; D644-F648 VanDerWaalsContact O-CD2 3.24Å; D644-F648 WeakPolarHBondContact O-CD2 3.38Å; D644-F648 PolarHBondContact O-N 2.93Å; D644-S692 WeakPolarHBondContact OD2-CB 3.36Å; D644-D693 PolarHBondContact OD2-N 2.79Å; D644-Y768 HydrophobicContact CB-CE1 4.38Å; D644-Y768 PolarHBondContact OD2-OH 2.97Å
645I96.7Very high94.5Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-52.4-31.2165.9-155.8-166.2000113.6E623 C626 A627 T638 T640 S643 L647 F648 G649 A650 V653E623-I645 HydrophobicContact CB-CB 4.14Å; E623-I645 HydrophobicContact CB-CG1 4.14Å; E623-I645 HydrophobicContact CG-CB 4.44Å; E623-I645 VanDerWaalsContact OE2-CD1 3.27Å; E623-I645 WeakPolarHBondContact OE2-CD1 3.21Å; E623-I645 VanDerWaalsContact OE2-CG1 3.29Å; E623-I645 WeakPolarHBondContact OE2-CG1 3.41Å; C626-I645 HydrophobicContact CB-CD1 4.38Å; A627-I645 HydrophobicContact CB-CG1 4.3Å; T638-I645 VanDerWaalsContact CB-CD1 3.43Å; T638-I645 HydrophobicContact CG2-CD1 3.65Å; T638-I645 WeakPolarHBondContact OG1-CD1 3.08Å; T640-I645 HydrophobicContact CG2-CB 4.34Å; T640-I645 HydrophobicContact CG2-CD1 4.09Å; T640-I645 HydrophobicContact CG2-CG2 3.99Å; S643-I645 PolarHBondContact O-N 3.14Å; I645-L647 VanDerWaalsContact C-N 3.32Å; I645-F648 PolarHBondContact O-N 3.49Å; I645-G649 PolarHBondContact O-N 3.43Å; I645-A650 HydrophobicContact CD1-CB 3.57Å; I645-A650 HydrophobicContact CG1-CB 3.66Å; I645-A650 PolarHBondContact O-N 3.18Å; I645-A650 VanDerWaalsContact O-N 3.14Å; I645-V653 HydrophobicContact CD1-CG2 4.12Å; I645-V653 HydrophobicContact CG2-CG2 3.82Å
646W96.3Very high94.3Very high32 Ų3235.4 Ų35.412%0.12119%0.186CC..Hα-helixtrans-73.8-24.6175.8-58.5112.5000112.8S643 D644 G649 A650 V653 Y667 F672 L683S643-W646 WeakPolarHBondContact O-CB 3.41Å; S643-W646 PolarHBondContact O-N 3.17Å; D644-W646 PolarHBondContact O-N 3.07Å; D644-W646 VanDerWaalsContact O-N 3.12Å; W646-G649 PolarHBondContact O-N 2.82Å; W646-A650 VanDerWaalsContact CE3-O 3.26Å; W646-A650 WeakPolarHBondContact CZ3-O 3Å; W646-V653 HydrophobicContact CD2-CG2 4.36Å; W646-V653 HydrophobicContact CE3-CG2 4.38Å; W646-V653 HydrophobicContact CH2-CB 3.79Å; W646-V653 HydrophobicContact CH2-CG2 3.48Å; W646-V653 VanDerWaalsContact CH2-CG2 3.48Å; W646-V653 HydrophobicContact CZ2-CB 3.53Å; W646-V653 HydrophobicContact CZ2-CG1 4.41Å; W646-V653 HydrophobicContact CZ2-CG2 3.42Å; W646-V653 VanDerWaalsContact CZ2-CG2 3.42Å; W646-V653 HydrophobicContact CZ3-CG2 3.97Å; W646-Y667 HydrophobicContact CZ2-CG 4.35Å; W646-F672 AromaticContact CD2-CE1 3.85Å; W646-F672 HydrophobicContact CD2-CE1 3.85Å; W646-F672 AromaticContact CD2-CZ 3.87Å; W646-F672 HydrophobicContact CD2-CZ 3.87Å; W646-F672 AromaticContact CE2-CE1 3.97Å; W646-F672 AromaticContact CE3-CE1 3.67Å; W646-F672 HydrophobicContact CE3-CE1 3.67Å; W646-F672 AromaticContact CE3-CZ 3.58Å; W646-F672 HydrophobicContact CE3-CZ 3.58Å; W646-F672 HydrophobicContact CG-CZ 4.41Å; W646-F672 AromaticContact CH2-CE1 3.76Å; W646-F672 HydrophobicContact CH2-CE1 3.76Å; W646-F672 HydrophobicContact CH2-CZ 4.49Å; W646-F672 AromaticContact CZ2-CE1 3.92Å; W646-F672 HydrophobicContact CZ2-CE1 3.92Å; W646-F672 AromaticContact CZ3-CE1 3.63Å; W646-F672 HydrophobicContact CZ3-CE1 3.63Å; W646-F672 AromaticContact CZ3-CZ 3.93Å; W646-F672 HydrophobicContact CZ3-CZ 3.93Å; W646-L683 HydrophobicContact CB-CD1 4Å
647L96.2Very high94.2Very high9 Ų936 Ų365%0.04718%0.183CC..Hα-helixtrans-73.4-36.3174-50.2177.3000110.4D644 I645 G649 R680 L683 I684 A687 Y768D644-L647 HydrophobicContact CB-CD1 3.98Å; D644-L647 HydrophobicContact CB-CG 4.5Å; D644-L647 WeakPolarHBondContact O-CA 3.24Å; D644-L647 WeakPolarHBondContact O-CB 3.48Å; D644-L647 PolarHBondContact O-N 3.1Å; D644-L647 WeakPolarHBondContact OD1-CD1 3.37Å; I645-L647 VanDerWaalsContact C-N 3.32Å; L647-G649 PolarHBondContact O-N 3.06Å; L647-R680 PolarHBondContact O-NE 2.98Å; L647-R680 PolarHBondContact O-NH2 2.78Å; L647-L683 VanDerWaalsContact CD2-C 3.4Å; L647-L683 HydrophobicContact CD2-CB 3.77Å; L647-L683 WeakPolarHBondContact CD2-O 3.34Å; L647-I684 HydrophobicContact CB-CG1 4.19Å; L647-I684 HydrophobicContact CD2-CG1 3.99Å; L647-A687 HydrophobicContact CD1-CB 3.84Å; L647-A687 HydrophobicContact CD2-CB 4.2Å; L647-Y768 HydrophobicContact CB-CD1 3.51Å; L647-Y768 HydrophobicContact CB-CD2 4.41Å; L647-Y768 HydrophobicContact CB-CE1 3.99Å; L647-Y768 HydrophobicContact CB-CG 3.78Å; L647-Y768 HydrophobicContact CD1-CD1 3.91Å; L647-Y768 HydrophobicContact CD1-CD2 4.16Å; L647-Y768 HydrophobicContact CD1-CE1 3.52Å; L647-Y768 HydrophobicContact CD1-CE2 3.75Å; L647-Y768 HydrophobicContact CD1-CG 4.24Å; L647-Y768 VanDerWaalsContact CD1-CZ 3.43Å; L647-Y768 HydrophobicContact CG-CD1 4.36Å; L647-Y768 HydrophobicContact CG-CE1 4.39Å
648F96.4Very high93.9Very high8 Ų843.8 Ų43.84%0.03521%0.213CC..Hα-helixtrans-73.9-10.7168.2-57.9-60.1000113.9E621 E623 A624 A627 D644 I645 R680 Y694 Y768 P771E621-F648 HydrophobicContact CB-CZ 4.42Å; E621-F648 HydrophobicContact CG-CE2 3.82Å; E621-F648 HydrophobicContact CG-CZ 3.74Å; E623-F648 HydrophobicContact CB-CD2 4.06Å; E623-F648 HydrophobicContact CB-CE2 4.26Å; A624-F648 HydrophobicContact CB-CB 4.3Å; A624-F648 HydrophobicContact CB-CD1 3.69Å; A624-F648 HydrophobicContact CB-CD2 4.16Å; A624-F648 HydrophobicContact CB-CE1 4Å; A624-F648 HydrophobicContact CB-CE2 4.47Å; A624-F648 HydrophobicContact CB-CG 3.77Å; A624-F648 HydrophobicContact CB-CZ 4.4Å; A627-F648 HydrophobicContact CB-CB 3.77Å; D644-F648 VanDerWaalsContact O-CD2 3.24Å; D644-F648 WeakPolarHBondContact O-CD2 3.38Å; D644-F648 PolarHBondContact O-N 2.93Å; I645-F648 PolarHBondContact O-N 3.49Å; F648-R680 PolarHBondContact O-NH1 3.46Å; F648-R680 PolarHBondContact O-NH2 2.94Å; F648-Y694 HydrophobicContact CE1-CE2 4.26Å; F648-Y694 AromaticContact CZ-CE2 3.89Å; F648-Y694 HydrophobicContact CZ-CE2 3.89Å; F648-Y694 AromaticContact CZ-CZ 3.99Å; F648-Y768 HydrophobicContact CD1-CD1 4.2Å; F648-Y768 AromaticContact CE1-CD1 3.62Å; F648-Y768 HydrophobicContact CE1-CD1 3.62Å; F648-Y768 HydrophobicContact CE1-CE1 4.3Å; F648-Y768 HydrophobicContact CE2-CD1 4.23Å; F648-Y768 HydrophobicContact CE2-CE1 4.28Å; F648-Y768 AromaticContact CZ-CD1 3.62Å; F648-Y768 HydrophobicContact CZ-CD1 3.62Å; F648-Y768 AromaticContact CZ-CE1 3.83Å; F648-Y768 HydrophobicContact CZ-CE1 3.83Å; F648-P771 HydrophobicContact CD1-CB 3.96Å; F648-P771 HydrophobicContact CD1-CG 3.86Å; F648-P771 HydrophobicContact CE1-CB 4.01Å; F648-P771 HydrophobicContact CE1-CG 4.41Å
649G94.7Very high93.5Very high10 Ų1046.8 Ų46.810%0.10323%0.228CC..THydrogen-bonded Turntrans91.926.4166.800000115.8I645 W646 L647I645-G649 PolarHBondContact O-N 3.43Å; W646-G649 PolarHBondContact O-N 2.82Å; L647-G649 PolarHBondContact O-N 3.06Å
650A95.9Very high92.9Very high0 Ų052.5 Ų52.50%025%0.25CS..  trans-56.1155.1169.600000112.4A627 I645 W646 V653A627-A650 HydrophobicContact CB-CB 4.05Å; I645-A650 HydrophobicContact CD1-CB 3.57Å; I645-A650 HydrophobicContact CG1-CB 3.66Å; I645-A650 PolarHBondContact O-N 3.18Å; I645-A650 VanDerWaalsContact O-N 3.14Å; W646-A650 VanDerWaalsContact CE3-O 3.26Å; W646-A650 WeakPolarHBondContact CZ3-O 3Å; A650-V653 HydrophobicContact CB-CG2 4.31Å
651R94.8Very high92.1Very high100 Ų10056.5 Ų56.538%0.37727%0.271SS..SBendtrans-109.4-32-176-65170.360-161.1-1112.4D630 L631 D633 Q668 Y669D630-R651 WeakPolarHBondContact OD2-CA 3.45Å; D630-R651 WeakPolarHBondContact OD2-CB 3.32Å; D630-R651 PolarHBondContact OD2-N 3.06Å; L631-R651 HydrophobicContact CD2-CG 4.03Å; D633-R651 IonicContact OD1-NH1 2.82Å; R651-Q668 CarbonylContact O-C 3.6Å; R651-Q668 WeakPolarHBondContact O-CA 3.2Å; R651-Y669 PolarHBondContact O-N 2.59Å
652H94.3Very high91.4Very high36 Ų3661.5 Ų61.517%0.16729%0.288CS..EExtended strand (participates in β ladder)trans-135122.8-175.8-40.3101.2000110.8D630 G637 T638 Y666D630-H652 IonicContact OD1-CE1 2.75Å; D630-H652 IonicContact OD1-CG 2.74Å; D630-H652 IonicContact OD1-ND1 3.74Å; D630-H652 PolarHBondContact OD1-ND1 3.38Å; D630-H652 PolarHBondContact OD2-N 3.07Å; D630-H652 IonicContact OD2-ND1 2.79Å; G637-H652 CarbonylContact C-O 3.49Å; G637-H652 WeakPolarHBondContact CA-O 3.37Å; T638-H652 PolarHBondContact N-O 3.38Å; H652-Y666 HydrophobicContact CB-CE2 4.18Å
653V95.7Very high90.9Very high2 Ų265.8 Ų65.81%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-132.6137.9-178.2-179.70000111.1T638 T640 I645 W646 A650 Y667T638-V653 WeakPolarHBondContact O-CA 3.47Å; T640-V653 HydrophobicContact CG2-CG1 3.91Å; I645-V653 HydrophobicContact CD1-CG2 4.12Å; I645-V653 HydrophobicContact CG2-CG2 3.82Å; W646-V653 HydrophobicContact CD2-CG2 4.36Å; W646-V653 HydrophobicContact CE3-CG2 4.38Å; W646-V653 HydrophobicContact CH2-CB 3.79Å; W646-V653 HydrophobicContact CH2-CG2 3.48Å; W646-V653 VanDerWaalsContact CH2-CG2 3.48Å; W646-V653 HydrophobicContact CZ2-CB 3.53Å; W646-V653 HydrophobicContact CZ2-CG1 4.41Å; W646-V653 HydrophobicContact CZ2-CG2 3.42Å; W646-V653 VanDerWaalsContact CZ2-CG2 3.42Å; W646-V653 HydrophobicContact CZ3-CG2 3.97Å; A650-V653 HydrophobicContact CB-CG2 4.31Å; V653-Y667 PolarHBondContact N-O 2.85Å; V653-Y667 PolarHBondContact O-N 2.84Å
654Y93Very high90.6Very high13 Ų1364.2 Ų64.25%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-115.1112177.4-54.4-89.9000109.3S636 T638 I639 T640 E665 Y666 I825S636-Y654 WeakPolarHBondContact O-CE2 3.21Å; S636-Y654 PolarHBondContact O-OH 3.19Å; T638-Y654 WeakPolarHBondContact O-CD2 3.25Å; T638-Y654 PolarHBondContact O-N 3.01Å; I639-Y654 WeakPolarHBondContact CA-O 3.22Å; I639-Y654 HydrophobicContact CG1-CD2 4.46Å; T640-Y654 PolarHBondContact N-O 2.88Å; Y654-E665 WeakPolarHBondContact CA-O 3.46Å; Y654-Y666 AromaticContact CD1-CD2 3.51Å; Y654-Y666 HydrophobicContact CD1-CD2 3.51Å; Y654-Y666 HydrophobicContact CD1-CE2 4.15Å; Y654-Y666 HydrophobicContact CD1-CG 4.29Å; Y654-Y666 AromaticContact CE1-CD2 3.18Å; Y654-Y666 HydrophobicContact CE1-CD2 3.18Å; Y654-Y666 AromaticContact CE1-CE2 3.41Å; Y654-Y666 HydrophobicContact CE1-CE2 3.41Å; Y654-Y666 VanDerWaalsContact CE1-CE2 3.41Å; Y654-Y666 HydrophobicContact CE1-CG 4.03Å; Y654-Y666 HydrophobicContact CE2-CD2 4.42Å; Y654-Y666 HydrophobicContact CE2-CE2 4.18Å; Y654-Y666 HydrophobicContact CG-CD2 4.25Å; Y654-Y666 AromaticContact CZ-CD2 3.68Å; Y654-Y666 AromaticContact CZ-CE2 3.41Å; Y654-Y666 VanDerWaalsContact CZ-CE2 3.41Å; Y654-Y666 WeakPolarHBondContact OH-CE2 3.45Å; Y654-I825 HydrophobicContact CD1-CD1 4.11Å; Y654-I825 HydrophobicContact CE1-CD1 4.15Å; Y654-I825 HydrophobicContact CE1-CG1 4.41Å; Y654-I825 HydrophobicContact CE1-CG2 3.74Å; Y654-I825 HydrophobicContact CE2-CG2 4.16Å; Y654-I825 HydrophobicContact CG-CD1 4.33Å; Y654-I825 VanDerWaalsContact CZ-CG2 3.44Å; Y654-I825 WeakPolarHBondContact OH-CG2 3.27Å
655R92.6Very high90.3Very high89 Ų8966.6 Ų66.634%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-115.9155.3-170.8176.3167.3-169.9-81.2-4.5111.3D641 F657 V664 E665 Y667D641-R655 PolarHBondContact O-NE 3.09Å; D641-R655 WeakPolarHBondContact OD1-CG 3.33Å; R655-F657 PolarHBondContact O-N 3.19Å; R655-V664 VanDerWaalsContact O-CG1 3.31Å; R655-V664 WeakPolarHBondContact O-CG1 3.41Å; R655-E665 HydrophobicContact CB-CB 4.11Å; R655-E665 IonicContact CZ-OE2 3.47Å; R655-E665 PolarHBondContact N-O 2.96Å; R655-E665 IonicContact NH1-OE1 2.74Å; R655-E665 IonicContact NH1-OE2 3.19Å; R655-E665 PolarHBondContact NH1-OE2 3.06Å; R655-E665 PolarHBondContact O-N 2.77Å; R655-Y667 HydrophobicContact CB-CD2 4.32Å; R655-Y667 HydrophobicContact CB-CE2 4.02Å; R655-Y667 HydrophobicContact CG-CE2 4.48Å
656N90.1Very high90.1Very high32 Ų3269.8 Ų69.817%0.17132%0.315CS..SBendtrans59.925.1-173.4-86-54.9000113.9D641 F658 N659 E665D641-N656 WeakPolarHBondContact OD1-CA 3.36Å; D641-N656 PolarHBondContact OD1-N 2.68Å; N656-F658 VanDerWaalsContact C-N 3.35Å; N656-F658 PolarHBondContact O-N 3.06Å; N656-N659 HydrophobicContact CB-CB 4.13Å; N656-N659 WeakPolarHBondContact O-CB 3.44Å; N656-N659 PolarHBondContact O-N 3.41Å; N656-N659 VanDerWaalsContact O-N 3.09Å; N656-N659 PolarHBondContact OD1-ND2 2.97Å; N656-E665 PolarHBondContact ND2-OE1 3.32Å
657F89.1Confident89.8Confident61 Ų6172.7 Ų72.727%0.26833%0.326SS..THydrogen-bonded Turntrans-59.9-37.4-170.2-171.3-85.9000114.4I639 R655 V664 I825 F829I639-F657 HydrophobicContact CD1-CD1 4.49Å; I639-F657 HydrophobicContact CD1-CD2 4.04Å; I639-F657 HydrophobicContact CD1-CE1 4.46Å; I639-F657 HydrophobicContact CD1-CE2 4.01Å; I639-F657 HydrophobicContact CD1-CG 4.3Å; I639-F657 HydrophobicContact CD1-CZ 4.23Å; I639-F657 HydrophobicContact CG1-CD2 4.34Å; I639-F657 HydrophobicContact CG2-CB 3.58Å; I639-F657 HydrophobicContact CG2-CD1 4.36Å; I639-F657 HydrophobicContact CG2-CD2 4.33Å; I639-F657 HydrophobicContact CG2-CG 3.85Å; R655-F657 PolarHBondContact O-N 3.19Å; F657-V664 HydrophobicContact CB-CG1 4.35Å; F657-V664 HydrophobicContact CD2-CG1 3.97Å; F657-V664 HydrophobicContact CD2-CG2 3.86Å; F657-V664 HydrophobicContact CE2-CG2 4.36Å; F657-V664 HydrophobicContact CG-CG2 4.49Å; F657-I825 HydrophobicContact CE2-CD1 4.22Å; F657-F829 HydrophobicContact CE2-CE2 4.04Å; F657-F829 HydrophobicContact CE2-CZ 4Å; F657-F829 HydrophobicContact CZ-CZ 4.38Å
658F86.1Confident89.7Confident177 Ų17775 Ų7578%0.77634%0.337SS*.THydrogen-bonded Turntrans-96.58.8-179.9-58-75000113.6I639 N656I639-F658 HydrophobicContact CG2-CE2 4.26Å; N656-F658 VanDerWaalsContact C-N 3.35Å; N656-F658 PolarHBondContact O-N 3.06Å
659N85.9Confident89.5Confident74 Ų7477.5 Ų77.540%0.39635%0.346SS..SBendtrans-72.3157.7178.6-158.2-28.5000110.7N656 N661N656-N659 HydrophobicContact CB-CB 4.13Å; N656-N659 WeakPolarHBondContact O-CB 3.44Å; N656-N659 PolarHBondContact O-N 3.41Å; N656-N659 VanDerWaalsContact O-N 3.09Å; N656-N659 PolarHBondContact OD1-ND2 2.97Å; N659-N661 PolarHBondContact O-N 2.86Å; N659-N661 VanDerWaalsContact O-N 3.11Å
660K83.5Confident89.4Confident204 Ų20480.6 Ų80.689%0.88736%0.363SS*.SBendtrans-70.9-3178.8-62.4175.9-176.7172.50113.2
661N77.4Confident89.1Confident103 Ų10384.7 Ų84.755%0.55139%0.385SS*.SBendtrans-72.2150.1178.1-66.5-18.4000111.1N659 F663N659-N661 PolarHBondContact O-N 2.86Å; N659-N661 VanDerWaalsContact O-N 3.11Å; N661-F663 PolarHBondContact O-N 2.85Å
662K79.3Confident88.9Confident196 Ų19681.5 Ų81.585%0.85237%0.374SS*.SBendtrans-80.98.1-179.3-62.5-176.9-179.41780114.2
663F82.1Confident88.7Confident148 Ų14883 Ų8365%0.64938%0.381SS*.  trans-141.4138.9-171.9-53.4-71.7000109.9N661 A832N661-F663 PolarHBondContact O-N 2.85Å; F663-A832 HydrophobicContact CD1-CB 4.37Å; F663-A832 HydrophobicContact CE1-CB 4.27Å
664V87.6Confident88.3Confident41 Ų4188.2 Ų88.225%0.24841%0.409CS..  trans-96.4137.6170.6-176.40000107.7R655 F657 Y666 F829R655-V664 VanDerWaalsContact O-CG1 3.31Å; R655-V664 WeakPolarHBondContact O-CG1 3.41Å; F657-V664 HydrophobicContact CB-CG1 4.35Å; F657-V664 HydrophobicContact CD2-CG1 3.97Å; F657-V664 HydrophobicContact CD2-CG2 3.86Å; F657-V664 HydrophobicContact CE2-CG2 4.36Å; F657-V664 HydrophobicContact CG-CG2 4.49Å; V664-Y666 PolarHBondContact O-N 3.07Å; V664-F829 HydrophobicContact CG2-CE1 4.21Å; V664-F829 HydrophobicContact CG2-CZ 4.3Å
665E89.6Confident88Confident63 Ų6391.5 Ų91.529%0.29442%0.424SS..EExtended strand (participates in β ladder)trans-78.1119.5172.6-70.1168.6-151.900109Y654 R655 N656 Y667Y654-E665 WeakPolarHBondContact CA-O 3.46Å; R655-E665 HydrophobicContact CB-CB 4.11Å; R655-E665 IonicContact CZ-OE2 3.47Å; R655-E665 PolarHBondContact N-O 2.96Å; R655-E665 IonicContact NH1-OE1 2.74Å; R655-E665 IonicContact NH1-OE2 3.19Å; R655-E665 PolarHBondContact NH1-OE2 3.06Å; R655-E665 PolarHBondContact O-N 2.77Å; N656-E665 PolarHBondContact ND2-OE1 3.32Å; E665-Y667 HydrophobicContact CB-CD2 4.31Å; E665-Y667 HydrophobicContact CB-CE2 3.54Å; E665-Y667 HydrophobicContact CG-CE2 4.42Å; E665-Y667 WeakPolarHBondContact OE2-CE2 3.47Å; E665-Y667 PolarHBondContact OE2-OH 3.14Å
666Y90.9Very high87.7Confident68 Ų6889.6 Ų89.627%0.26742%0.421SS..EExtended strand (participates in β ladder)trans-109.8126.9177176.1-122.5000110.7H652 Y654 V664 Q668 L831H652-Y666 HydrophobicContact CB-CE2 4.18Å; Y654-Y666 AromaticContact CD1-CD2 3.51Å; Y654-Y666 HydrophobicContact CD1-CD2 3.51Å; Y654-Y666 HydrophobicContact CD1-CE2 4.15Å; Y654-Y666 HydrophobicContact CD1-CG 4.29Å; Y654-Y666 AromaticContact CE1-CD2 3.18Å; Y654-Y666 HydrophobicContact CE1-CD2 3.18Å; Y654-Y666 AromaticContact CE1-CE2 3.41Å; Y654-Y666 HydrophobicContact CE1-CE2 3.41Å; Y654-Y666 VanDerWaalsContact CE1-CE2 3.41Å; Y654-Y666 HydrophobicContact CE1-CG 4.03Å; Y654-Y666 HydrophobicContact CE2-CD2 4.42Å; Y654-Y666 HydrophobicContact CE2-CE2 4.18Å; Y654-Y666 HydrophobicContact CG-CD2 4.25Å; Y654-Y666 AromaticContact CZ-CD2 3.68Å; Y654-Y666 AromaticContact CZ-CE2 3.41Å; Y654-Y666 VanDerWaalsContact CZ-CE2 3.41Å; Y654-Y666 WeakPolarHBondContact OH-CE2 3.45Å; V664-Y666 PolarHBondContact O-N 3.07Å; Y666-Q668 HydrophobicContact CE1-CG 3.67Å; Y666-Q668 HydrophobicContact CE2-CG 4.48Å; Y666-Q668 PolarHBondContact OH-NE2 2.97Å; Y666-L831 HydrophobicContact CD1-CD2 4.35Å
667Y91.8Very high87.5Confident93 Ų9388.2 Ų88.237%0.36541%0.414SS..EExtended strand (participates in β ladder)trans-122.3135.6-177.5-65.3-81.4000110.7W646 V653 R655 E665W646-Y667 HydrophobicContact CZ2-CG 4.35Å; V653-Y667 PolarHBondContact N-O 2.85Å; V653-Y667 PolarHBondContact O-N 2.84Å; R655-Y667 HydrophobicContact CB-CD2 4.32Å; R655-Y667 HydrophobicContact CB-CE2 4.02Å; R655-Y667 HydrophobicContact CG-CE2 4.48Å; E665-Y667 HydrophobicContact CB-CD2 4.31Å; E665-Y667 HydrophobicContact CB-CE2 3.54Å; E665-Y667 HydrophobicContact CG-CE2 4.42Å; E665-Y667 WeakPolarHBondContact OE2-CE2 3.47Å; E665-Y667 PolarHBondContact OE2-OH 3.14Å
668Q92.4Very high87.6Confident57 Ų5786 Ų8627%0.26641%0.405SS..EExtended strand (participates in β ladder)trans-115.7135.6169.9-60.5-166.4-1100110.8R651 Y666 V670 D671 F672R651-Q668 CarbonylContact O-C 3.6Å; R651-Q668 WeakPolarHBondContact O-CA 3.2Å; Y666-Q668 HydrophobicContact CE1-CG 3.67Å; Y666-Q668 HydrophobicContact CE2-CG 4.48Å; Y666-Q668 PolarHBondContact OH-NE2 2.97Å; Q668-V670 VanDerWaalsContact C-N 3.26Å; Q668-V670 HydrophobicContact CB-CG1 4.06Å; Q668-V670 PolarHBondContact O-N 3.28Å; Q668-D671 HydrophobicContact CB-CB 4.36Å; Q668-D671 PolarHBondContact O-N 3.41Å; Q668-D671 VanDerWaalsContact O-N 3.11Å; Q668-F672 WeakPolarHBondContact O-CD1 3.16Å; Q668-F672 PolarHBondContact O-N 3.05Å
669Y93.6Very high87.9Confident61 Ų6179.2 Ų79.224%0.23938%0.376CS..Hα-helixtrans-53.3-44.5174.3174.5-90.8000112.1R651 D671 F672 H673 D679R651-Y669 PolarHBondContact O-N 2.59Å; Y669-D671 VanDerWaalsContact C-N 3.25Å; Y669-D671 PolarHBondContact O-N 3.18Å; Y669-F672 AromaticContact CD2-CE2 3.71Å; Y669-F672 HydrophobicContact CD2-CE2 3.71Å; Y669-F672 AromaticContact CD2-CZ 3.65Å; Y669-F672 HydrophobicContact CD2-CZ 3.65Å; Y669-F672 HydrophobicContact CE2-CE2 4.11Å; Y669-F672 HydrophobicContact CE2-CZ 4.43Å; Y669-F672 HydrophobicContact CG-CE2 4.41Å; Y669-F672 HydrophobicContact CG-CZ 4.29Å; Y669-F672 PolarHBondContact O-N 3.24Å; Y669-H673 HydrophobicContact CD1-CB 4.36Å; Y669-H673 HydrophobicContact CE1-CB 4.07Å; Y669-H673 WeakPolarHBondContact O-CB 3.35Å; Y669-H673 PolarHBondContact O-N 3.01Å; Y669-D679 WeakPolarHBondContact OH-CA 3.37Å
670V92Very high88.3Confident75 Ų7578.3 Ų78.346%0.45537%0.368SS..Hα-helixtrans-62.3-31-178.666.20000112.7Q668 N674Q668-V670 VanDerWaalsContact C-N 3.26Å; Q668-V670 HydrophobicContact CB-CG1 4.06Å; Q668-V670 PolarHBondContact O-N 3.28Å; V670-N674 WeakPolarHBondContact CG2-ND2 3.38Å; V670-N674 WeakPolarHBondContact O-CB 3.31Å; V670-N674 PolarHBondContact O-N 3.09Å; V670-N674 VanDerWaalsContact O-N 3.13Å; V670-N674 PolarHBondContact O-ND2 2.7Å
671D89.9Confident88.9Confident86 Ų8671.4 Ų71.446%0.4634%0.34SS..Hα-helixtrans-72.5-49.6-179.6-90.3-30.2000111.6Q668 Y669 Q675Q668-D671 HydrophobicContact CB-CB 4.36Å; Q668-D671 PolarHBondContact O-N 3.41Å; Q668-D671 VanDerWaalsContact O-N 3.11Å; Y669-D671 VanDerWaalsContact C-N 3.25Å; Y669-D671 PolarHBondContact O-N 3.18Å; D671-Q675 VanDerWaalsContact O-CB 3.3Å; D671-Q675 WeakPolarHBondContact O-CB 3.25Å; D671-Q675 WeakPolarHBondContact O-CG 3.41Å; D671-Q675 PolarHBondContact O-N 2.98Å; D671-Q675 PolarHBondContact O-NE2 3.14Å
672F89.4Confident89.7Confident33 Ų3368.1 Ų68.115%0.14532%0.321CS..Hα-helixtrans-75.3-28.2178.166.2-114.8000112.6W646 Q668 Y669 Q675 L676 L683W646-F672 AromaticContact CD2-CE1 3.85Å; W646-F672 HydrophobicContact CD2-CE1 3.85Å; W646-F672 AromaticContact CD2-CZ 3.87Å; W646-F672 HydrophobicContact CD2-CZ 3.87Å; W646-F672 AromaticContact CE2-CE1 3.97Å; W646-F672 AromaticContact CE3-CE1 3.67Å; W646-F672 HydrophobicContact CE3-CE1 3.67Å; W646-F672 AromaticContact CE3-CZ 3.58Å; W646-F672 HydrophobicContact CE3-CZ 3.58Å; W646-F672 HydrophobicContact CG-CZ 4.41Å; W646-F672 AromaticContact CH2-CE1 3.76Å; W646-F672 HydrophobicContact CH2-CE1 3.76Å; W646-F672 HydrophobicContact CH2-CZ 4.49Å; W646-F672 AromaticContact CZ2-CE1 3.92Å; W646-F672 HydrophobicContact CZ2-CE1 3.92Å; W646-F672 AromaticContact CZ3-CE1 3.63Å; W646-F672 HydrophobicContact CZ3-CE1 3.63Å; W646-F672 AromaticContact CZ3-CZ 3.93Å; W646-F672 HydrophobicContact CZ3-CZ 3.93Å; Q668-F672 WeakPolarHBondContact O-CD1 3.16Å; Q668-F672 PolarHBondContact O-N 3.05Å; Y669-F672 AromaticContact CD2-CE2 3.71Å; Y669-F672 HydrophobicContact CD2-CE2 3.71Å; Y669-F672 AromaticContact CD2-CZ 3.65Å; Y669-F672 HydrophobicContact CD2-CZ 3.65Å; Y669-F672 HydrophobicContact CE2-CE2 4.11Å; Y669-F672 HydrophobicContact CE2-CZ 4.43Å; Y669-F672 HydrophobicContact CG-CE2 4.41Å; Y669-F672 HydrophobicContact CG-CZ 4.29Å; Y669-F672 PolarHBondContact O-N 3.24Å; F672-Q675 PolarHBondContact O-N 3.15Å; F672-L676 HydrophobicContact CB-CD1 4.3Å; F672-L676 WeakPolarHBondContact O-CA 3.42Å; F672-L676 VanDerWaalsContact O-CB 3.3Å; F672-L676 WeakPolarHBondContact O-CB 3.48Å; F672-L676 PolarHBondContact O-N 3.16Å; F672-L683 HydrophobicContact CE2-CD1 4Å; F672-L683 HydrophobicContact CZ-CD1 4.28Å
673H89.8Confident90.4Very high67 Ų6760 Ų6031%0.3129%0.287SS..Hα-helixtrans-59.4-50.4171.4-176.570.6000110.7Y669 G677 L678Y669-H673 HydrophobicContact CD1-CB 4.36Å; Y669-H673 HydrophobicContact CE1-CB 4.07Å; Y669-H673 WeakPolarHBondContact O-CB 3.35Å; Y669-H673 PolarHBondContact O-N 3.01Å; H673-G677 VanDerWaalsContact O-CA 3.26Å; H673-G677 WeakPolarHBondContact O-CA 3.24Å; H673-G677 PolarHBondContact O-N 3.41Å; H673-L678 PolarHBondContact ND1-O 3.33Å
674N87.6Confident91.1Very high111 Ų11153.1 Ų53.159%0.59426%0.257SS*.Hα-helixtrans-69-33.1177.9-79.2-66.3000113.9V670V670-N674 WeakPolarHBondContact CG2-ND2 3.38Å; V670-N674 WeakPolarHBondContact O-CB 3.31Å; V670-N674 PolarHBondContact O-N 3.09Å; V670-N674 VanDerWaalsContact O-N 3.13Å; V670-N674 PolarHBondContact O-ND2 2.7Å
675Q86.4Confident91.5Very high82 Ų8251.3 Ų51.338%0.38325%0.246SC..Hα-helixtrans-84.5-32.8-176.9-72.8174.880.700114.1D671 F672D671-Q675 VanDerWaalsContact O-CB 3.3Å; D671-Q675 WeakPolarHBondContact O-CB 3.25Å; D671-Q675 WeakPolarHBondContact O-CG 3.41Å; D671-Q675 PolarHBondContact O-N 2.98Å; D671-Q675 PolarHBondContact O-NE2 3.14Å; F672-Q675 PolarHBondContact O-N 3.15Å
676L86.9Confident91.7Very high50 Ų5049.4 Ų49.426%0.26224%0.237SC..Hα-helixtrans-115.2-17.1-173.1-55.6-179.6000113.8F672 L678 I842 V851 M854F672-L676 HydrophobicContact CB-CD1 4.3Å; F672-L676 WeakPolarHBondContact O-CA 3.42Å; F672-L676 VanDerWaalsContact O-CB 3.3Å; F672-L676 WeakPolarHBondContact O-CB 3.48Å; F672-L676 PolarHBondContact O-N 3.16Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 HydrophobicContact CB-CD1 3.96Å; L676-L678 HydrophobicContact CB-CG 3.88Å; L676-L678 HydrophobicContact CD1-CD1 3.86Å; L676-I842 HydrophobicContact CD2-CD1 3.76Å; L676-I842 HydrophobicContact CD2-CG1 4.33Å; L676-V851 HydrophobicContact CD2-CG1 4.21Å; L676-V851 HydrophobicContact CD2-CG2 4.22Å; L676-M854 WeakPolarHBondContact O-CE 3.41Å
677G86.7Confident92Very high2 Ų246.5 Ų46.52%0.02123%0.228CC..  trans72.125.7-173.400000112.7H673 K682 M854H673-G677 VanDerWaalsContact O-CA 3.26Å; H673-G677 WeakPolarHBondContact O-CA 3.24Å; H673-G677 PolarHBondContact O-N 3.41Å; G677-K682 VanDerWaalsContact O-CD 3.31Å; G677-K682 WeakPolarHBondContact O-CD 3.26Å; G677-K682 PolarHBondContact O-NZ 2.89Å; G677-M854 WeakPolarHBondContact O-CE 3.38Å
678L91.3Very high92.1Very high16 Ų1642.2 Ų42.28%0.08421%0.211CC..  trans-92121.3179.5-64.6175.4000110.2H673 L676 K682 L683 L686 M707 M854H673-L678 PolarHBondContact ND1-O 3.33Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 HydrophobicContact CB-CD1 3.96Å; L676-L678 HydrophobicContact CB-CG 3.88Å; L676-L678 HydrophobicContact CD1-CD1 3.86Å; L678-K682 HydrophobicContact CD2-CB 4.03Å; L678-K682 HydrophobicContact CD2-CD 4.45Å; L678-L683 HydrophobicContact CB-CD2 4.17Å; L678-L683 HydrophobicContact CB-CG 4.42Å; L678-L683 HydrophobicContact CD1-CD2 4.07Å; L678-L686 HydrophobicContact CD1-CD1 4.2Å; L678-L686 HydrophobicContact CD2-CD1 3.87Å; L678-M707 HydrophobicContact CD2-CE 4.43Å; L678-M707 HydrophobicContact CD2-SD 4.42Å; L678-M854 HydrophobicContact CD2-CE 4.18Å
679D92.3Very high92.2Very high33 Ų3339.5 Ų39.518%0.17620%0.198CC..  trans-105.4173.9168.180-61.4000110.3Y669 N681 K682 L683Y669-D679 WeakPolarHBondContact OH-CA 3.37Å; D679-N681 PolarHBondContact O-N 2.92Å; D679-N681 VanDerWaalsContact OD2-CB 3.22Å; D679-N681 WeakPolarHBondContact OD2-CB 3.31Å; D679-N681 PolarHBondContact OD2-N 2.87Å; D679-N681 PolarHBondContact OD2-ND2 3.26Å; D679-K682 PolarHBondContact O-N 2.72Å; D679-K682 VanDerWaalsContact O-N 3.11Å; D679-K682 WeakPolarHBondContact OD1-CB 3.23Å; D679-K682 VanDerWaalsContact OD1-CD 3.26Å; D679-K682 WeakPolarHBondContact OD1-CD 3.35Å; D679-K682 WeakPolarHBondContact OD1-CE 3.36Å; D679-K682 WeakPolarHBondContact OD1-CG 3.28Å; D679-K682 PolarHBondContact OD1-N 3.06Å; D679-K682 VanDerWaalsContact OD1-N 3.11Å; D679-L683 WeakPolarHBondContact O-CG 3.44Å; D679-L683 PolarHBondContact O-N 3.4Å
680R95Very high92.2Very high56 Ų5639.9 Ų39.921%0.21120%0.204CC..Hα-helixtrans-58.1-36-178.4-171.5174.3173.6178.4-4.5112.4L647 F648 L683 I684 Y768 L769L647-R680 PolarHBondContact O-NE 2.98Å; L647-R680 PolarHBondContact O-NH2 2.78Å; F648-R680 PolarHBondContact O-NH1 3.46Å; F648-R680 PolarHBondContact O-NH2 2.94Å; R680-L683 PolarHBondContact O-N 3.1Å; R680-I684 HydrophobicContact CG-CD1 4.24Å; R680-I684 WeakPolarHBondContact O-CG1 3.47Å; R680-I684 PolarHBondContact O-N 3.1Å; R680-Y768 PolarHBondContact NH2-O 2.92Å; R680-L769 HydrophobicContact CG-CD2 4.43Å; R680-L769 PolarHBondContact NH2-O 3.29Å
681N94.7Very high92.3Very high58 Ų5837.8 Ų37.831%0.3120%0.197SC..Hα-helixtrans-68.4-42.1177.1-56.9-81.6000111.8D679 I684 N685D679-N681 PolarHBondContact O-N 2.92Å; D679-N681 VanDerWaalsContact OD2-CB 3.22Å; D679-N681 WeakPolarHBondContact OD2-CB 3.31Å; D679-N681 PolarHBondContact OD2-N 2.87Å; D679-N681 PolarHBondContact OD2-ND2 3.26Å; N681-I684 PolarHBondContact O-N 3.24Å; N681-N685 WeakPolarHBondContact O-CB 3.23Å; N681-N685 PolarHBondContact O-N 3.28Å; N681-N685 PolarHBondContact O-ND2 3.05Å; N681-N685 VanDerWaalsContact O-ND2 3.16Å
682K94.1Very high92.4Very high34 Ų3434.7 Ų34.715%0.14818%0.182CC..Hα-helixtrans-67.2-34.8174.5-73.2169.3-152.9178.30113G677 L678 D679 N685 L686 L710 M854 E858G677-K682 VanDerWaalsContact O-CD 3.31Å; G677-K682 WeakPolarHBondContact O-CD 3.26Å; G677-K682 PolarHBondContact O-NZ 2.89Å; L678-K682 HydrophobicContact CD2-CB 4.03Å; L678-K682 HydrophobicContact CD2-CD 4.45Å; D679-K682 PolarHBondContact O-N 2.72Å; D679-K682 VanDerWaalsContact O-N 3.11Å; D679-K682 WeakPolarHBondContact OD1-CB 3.23Å; D679-K682 VanDerWaalsContact OD1-CD 3.26Å; D679-K682 WeakPolarHBondContact OD1-CD 3.35Å; D679-K682 WeakPolarHBondContact OD1-CE 3.36Å; D679-K682 WeakPolarHBondContact OD1-CG 3.28Å; D679-K682 PolarHBondContact OD1-N 3.06Å; D679-K682 VanDerWaalsContact OD1-N 3.11Å; K682-N685 CarbonylContact O-C 3.59Å; K682-N685 PolarHBondContact O-N 2.95Å; K682-L686 VanDerWaalsContact O-CG 3.32Å; K682-L686 WeakPolarHBondContact O-CG 3.47Å; K682-L686 PolarHBondContact O-N 2.91Å; K682-L710 HydrophobicContact CB-CD1 4.48Å; K682-M854 HydrophobicContact CD-CE 4.19Å; K682-M854 HydrophobicContact CD-SD 3.76Å; K682-E858 IonicContact NZ-OE1 3.63Å; K682-E858 PolarHBondContact NZ-OE1 2.93Å; K682-E858 IonicContact NZ-OE2 3.92Å; K682-E858 PolarHBondContact NZ-OE2 2.83Å
683L95.4Very high92.4Very high26 Ų2640.1 Ų40.114%0.13621%0.213CC..Hα-helixtrans-63.1-46.2173.7-67.2172.5000110.8W646 L647 F672 L678 D679 R680 N685 L686 A687W646-L683 HydrophobicContact CB-CD1 4Å; L647-L683 VanDerWaalsContact CD2-C 3.4Å; L647-L683 HydrophobicContact CD2-CB 3.77Å; L647-L683 WeakPolarHBondContact CD2-O 3.34Å; F672-L683 HydrophobicContact CE2-CD1 4Å; F672-L683 HydrophobicContact CZ-CD1 4.28Å; L678-L683 HydrophobicContact CB-CD2 4.17Å; L678-L683 HydrophobicContact CB-CG 4.42Å; L678-L683 HydrophobicContact CD1-CD2 4.07Å; D679-L683 WeakPolarHBondContact O-CG 3.44Å; D679-L683 PolarHBondContact O-N 3.4Å; R680-L683 PolarHBondContact O-N 3.1Å; L683-N685 VanDerWaalsContact C-N 3.34Å; L683-N685 PolarHBondContact O-N 3.48Å; L683-L686 WeakPolarHBondContact O-CA 3.37Å; L683-L686 WeakPolarHBondContact O-CB 3.36Å; L683-L686 PolarHBondContact O-N 3.17Å; L683-A687 PolarHBondContact O-N 3.47Å
684I95.9Very high92.4Very high3 Ų340.7 Ų40.72%0.01521%0.213CC..Hα-helixtrans-59.5-43.8172.1-69.3168000111L647 R680 N681 L686 A687 Y688 A765 Y768 L769L647-I684 HydrophobicContact CB-CG1 4.19Å; L647-I684 HydrophobicContact CD2-CG1 3.99Å; R680-I684 HydrophobicContact CG-CD1 4.24Å; R680-I684 WeakPolarHBondContact O-CG1 3.47Å; R680-I684 PolarHBondContact O-N 3.1Å; N681-I684 PolarHBondContact O-N 3.24Å; I684-L686 VanDerWaalsContact C-N 3.26Å; I684-L686 PolarHBondContact O-N 2.92Å; I684-A687 WeakPolarHBondContact O-CB 3.41Å; I684-A687 PolarHBondContact O-N 3.36Å; I684-A687 VanDerWaalsContact O-N 3.12Å; I684-Y688 HydrophobicContact CG2-CD2 4.15Å; I684-Y688 HydrophobicContact CG2-CE2 3.77Å; I684-Y688 VanDerWaalsContact O-CD2 3.23Å; I684-Y688 WeakPolarHBondContact O-CD2 3.49Å; I684-Y688 PolarHBondContact O-N 2.83Å; I684-A765 HydrophobicContact CG2-CB 3.92Å; I684-Y768 HydrophobicContact CG1-CD2 4.39Å; I684-Y768 HydrophobicContact CG1-CG 4.42Å; I684-L769 HydrophobicContact CD1-CD2 3.64Å; I684-L769 HydrophobicContact CD1-CG 3.72Å
685N95.4Very high92.6Very high3 Ų337 Ų372%0.01619%0.194CC..Hα-helixtrans-65-27.2175.2-69.3-36.1000113.5N681 K682 L683 L689 L710 G717 L721N681-N685 WeakPolarHBondContact O-CB 3.23Å; N681-N685 PolarHBondContact O-N 3.28Å; N681-N685 PolarHBondContact O-ND2 3.05Å; N681-N685 VanDerWaalsContact O-ND2 3.16Å; K682-N685 CarbonylContact O-C 3.59Å; K682-N685 PolarHBondContact O-N 2.95Å; L683-N685 VanDerWaalsContact C-N 3.34Å; L683-N685 PolarHBondContact O-N 3.48Å; N685-L689 WeakPolarHBondContact O-CD1 3.38Å; N685-L689 VanDerWaalsContact O-CG 3.23Å; N685-L689 WeakPolarHBondContact O-CG 3.38Å; N685-L710 HydrophobicContact CB-CD1 4.26Å; N685-L710 HydrophobicContact CB-CD2 3.82Å; N685-G717 PolarHBondContact ND2-O 3.29Å; N685-L721 HydrophobicContact CB-CD1 4.23Å; N685-L721 HydrophobicContact CB-CD2 4.41Å; N685-L721 HydrophobicContact CB-CG 4.22Å; N685-L721 WeakPolarHBondContact OD1-CD1 3.4Å
686L95.1Very high92.7Very high23 Ų2342.1 Ų42.112%0.1222%0.218CC..Hα-helixtrans-73.2-39.6170.9-73.5174.1000110.8L678 K682 L683 I684 Y688 L689 L690 A706 L710L678-L686 HydrophobicContact CD1-CD1 4.2Å; L678-L686 HydrophobicContact CD2-CD1 3.87Å; K682-L686 VanDerWaalsContact O-CG 3.32Å; K682-L686 WeakPolarHBondContact O-CG 3.47Å; K682-L686 PolarHBondContact O-N 2.91Å; L683-L686 WeakPolarHBondContact O-CA 3.37Å; L683-L686 WeakPolarHBondContact O-CB 3.36Å; L683-L686 PolarHBondContact O-N 3.17Å; I684-L686 VanDerWaalsContact C-N 3.26Å; I684-L686 PolarHBondContact O-N 2.92Å; L686-Y688 PolarHBondContact O-N 2.74Å; L686-L689 CarbonylContact O-C 3.53Å; L686-L689 WeakPolarHBondContact O-CA 3.44Å; L686-L689 PolarHBondContact O-N 2.91Å; L686-L690 HydrophobicContact CB-CD1 4.18Å; L686-L690 WeakPolarHBondContact O-CB 3.37Å; L686-L690 VanDerWaalsContact O-CG 3.28Å; L686-L690 WeakPolarHBondContact O-CG 3.37Å; L686-L690 PolarHBondContact O-N 3.47Å; L686-A706 HydrophobicContact CD2-CB 3.57Å; L686-L710 HydrophobicContact CD2-CD1 3.71Å; L686-L710 HydrophobicContact CG-CD1 3.85Å
687A95.4Very high93Very high8 Ų840.4 Ų40.47%0.06621%0.213CC..Hα-helixtrans-56.3-47.2176.200000112.2L647 L683 I684 L689 L690 G691L647-A687 HydrophobicContact CD1-CB 3.84Å; L647-A687 HydrophobicContact CD2-CB 4.2Å; L683-A687 PolarHBondContact O-N 3.47Å; I684-A687 WeakPolarHBondContact O-CB 3.41Å; I684-A687 PolarHBondContact O-N 3.36Å; I684-A687 VanDerWaalsContact O-N 3.12Å; A687-L689 PolarHBondContact O-N 2.81Å; A687-L689 VanDerWaalsContact O-N 3.15Å; A687-L690 PolarHBondContact O-N 3.47Å; A687-G691 CarbonylContact O-C 3.45Å; A687-G691 WeakPolarHBondContact O-CA 3.48Å; A687-G691 PolarHBondContact O-N 3.48Å
688Y95Very high93.2Very high3 Ų340.8 Ų40.81%0.01221%0.214CC..Hα-helixtrans-57.8-26171.6-77.5-79.1000114.9I684 L686 T695 L718 L721 F759 P760 N761 V764 A765I684-Y688 HydrophobicContact CG2-CD2 4.15Å; I684-Y688 HydrophobicContact CG2-CE2 3.77Å; I684-Y688 VanDerWaalsContact O-CD2 3.23Å; I684-Y688 WeakPolarHBondContact O-CD2 3.49Å; I684-Y688 PolarHBondContact O-N 2.83Å; L686-Y688 PolarHBondContact O-N 2.74Å; Y688-T695 HydrophobicContact CD1-CG2 4.4Å; Y688-L718 HydrophobicContact CD2-CD2 4.28Å; Y688-L718 HydrophobicContact CE2-CD2 3.57Å; Y688-L721 HydrophobicContact CD1-CD1 4.42Å; Y688-L721 HydrophobicContact CD2-CD1 3.44Å; Y688-L721 VanDerWaalsContact CD2-CD1 3.44Å; Y688-L721 HydrophobicContact CE2-CD1 4.19Å; Y688-L721 HydrophobicContact CG-CD1 3.57Å; Y688-F759 HydrophobicContact CD1-CE2 4.32Å; Y688-F759 WeakPolarHBondContact O-CE2 3.32Å; Y688-P760 HydrophobicContact CD1-CB 4.26Å; Y688-P760 HydrophobicContact CE1-CB 4.1Å; Y688-N761 WeakPolarHBondContact CE1-O 3.27Å; Y688-N761 PolarHBondContact OH-O 3.4Å; Y688-V764 HydrophobicContact CE1-CB 3.9Å; Y688-V764 HydrophobicContact CE1-CG1 4.17Å; Y688-A765 HydrophobicContact CE2-CB 4.07Å; Y688-A765 WeakPolarHBondContact OH-CB 3.34Å; Y688-A765 PolarHBondContact OH-N 2.86Å
689L94.4Very high93.2Very high0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-94.5-33.3-176.5-67.1174000112.2N685 L686 A687 I698 V701 A706 I709 L710 L721 F724 F759N685-L689 WeakPolarHBondContact O-CD1 3.38Å; N685-L689 VanDerWaalsContact O-CG 3.23Å; N685-L689 WeakPolarHBondContact O-CG 3.38Å; L686-L689 CarbonylContact O-C 3.53Å; L686-L689 WeakPolarHBondContact O-CA 3.44Å; L686-L689 PolarHBondContact O-N 2.91Å; A687-L689 PolarHBondContact O-N 2.81Å; A687-L689 VanDerWaalsContact O-N 3.15Å; L689-I698 HydrophobicContact CD2-CD1 3.49Å; L689-I698 VanDerWaalsContact CD2-CD1 3.49Å; L689-I698 HydrophobicContact CD2-CG1 4.45Å; L689-I698 PolarHBondContact O-N 2.74Å; L689-V701 HydrophobicContact CB-CG1 4.09Å; L689-V701 WeakPolarHBondContact O-CB 3.48Å; L689-V701 WeakPolarHBondContact O-CG1 3.43Å; L689-A706 HydrophobicContact CB-CB 3.8Å; L689-A706 HydrophobicContact CD1-CB 3.99Å; L689-I709 HydrophobicContact CD1-CB 4.15Å; L689-I709 HydrophobicContact CD1-CD1 4.28Å; L689-I709 HydrophobicContact CD1-CG2 4.03Å; L689-I709 HydrophobicContact CD2-CD1 3.85Å; L689-I709 HydrophobicContact CD2-CG2 4.41Å; L689-L710 HydrophobicContact CD1-CD2 4.04Å; L689-L710 HydrophobicContact CD1-CG 4.17Å; L689-L721 HydrophobicContact CD1-CD2 3.95Å; L689-L721 HydrophobicContact CD2-CD2 3.87Å; L689-L721 HydrophobicContact CG-CD2 3.87Å; L689-F724 HydrophobicContact CD2-CD1 4.44Å; L689-F724 HydrophobicContact CD2-CE1 4.17Å; L689-F759 HydrophobicContact CD2-CZ 4.2Å
690L94.1Very high93Very high69 Ų6947.8 Ų47.836%0.36126%0.26SS..Hα-helixtrans-98.8-29.2-173-62.5-179.1000114L686 A687 V701 A706L686-L690 HydrophobicContact CB-CD1 4.18Å; L686-L690 WeakPolarHBondContact O-CB 3.37Å; L686-L690 VanDerWaalsContact O-CG 3.28Å; L686-L690 WeakPolarHBondContact O-CG 3.37Å; L686-L690 PolarHBondContact O-N 3.47Å; A687-L690 PolarHBondContact O-N 3.47Å; L690-V701 WeakPolarHBondContact CD2-O 3.23Å; L690-A706 HydrophobicContact CD2-CB 3.66Å; L690-A706 HydrophobicContact CG-CB 4.12Å
691G92.8Very high92.8Very high30 Ų3045.5 Ų45.531%0.30925%0.253SS..  trans105146.6-162.300000111.7A687 T695A687-G691 CarbonylContact O-C 3.45Å; A687-G691 WeakPolarHBondContact O-CA 3.48Å; A687-G691 PolarHBondContact O-N 3.48Å; G691-T695 CarbonylContact C-O 3.52Å; G691-T695 VanDerWaalsContact CA-O 3.27Å; G691-T695 WeakPolarHBondContact CA-O 3.34Å
692S92.4Very high92.6Very high21 Ų2144.7 Ų44.715%0.14726%0.258CS..BIsolated β-bridgetrans-164.5174.917262.80000108.3D644 Y694 T695 Y768D644-S692 WeakPolarHBondContact OD2-CB 3.36Å; S692-Y694 PolarHBondContact O-N 2.93Å; S692-Y694 VanDerWaalsContact O-N 3.09Å; S692-T695 PolarHBondContact N-O 3.43Å; S692-T695 CarbonylContact O-C 3.42Å; S692-T695 PolarHBondContact O-N 3.36Å; S692-T695 WeakPolarHBondContact OG-CG2 3.43Å; S692-Y768 VanDerWaalsContact CB-OH 3.31Å; S692-Y768 WeakPolarHBondContact CB-OH 3.41Å; S692-Y768 PolarHBondContact OG-OH 3.45Å
693D90.2Very high92.4Very high147 Ų14746.8 Ų46.879%0.78628%0.276SS*.THydrogen-bonded Turntrans-64.2-24.6-172.8-87.117.6000113.6D644D644-D693 PolarHBondContact OD2-N 2.79Å
694Y89.6Confident92.2Very high80 Ų8047.3 Ų47.331%0.31428%0.28SS..THydrogen-bonded Turntrans-94.4-0.8175.6-57.5-11.6000114.6E621 F648 S692 V764 A767 Y768E621-Y694 WeakPolarHBondContact CG-OH 3.33Å; E621-Y694 PolarHBondContact OE2-OH 3.17Å; F648-Y694 HydrophobicContact CE1-CE2 4.26Å; F648-Y694 AromaticContact CZ-CE2 3.89Å; F648-Y694 HydrophobicContact CZ-CE2 3.89Å; F648-Y694 AromaticContact CZ-CZ 3.99Å; S692-Y694 PolarHBondContact O-N 2.93Å; S692-Y694 VanDerWaalsContact O-N 3.09Å; Y694-V764 WeakPolarHBondContact O-CG2 3.35Å; Y694-A767 HydrophobicContact CD2-CB 3.97Å; Y694-A767 HydrophobicContact CE2-CB 3.93Å; Y694-Y768 WeakPolarHBondContact CB-OH 3.31Å; Y694-Y768 AromaticContact CD2-CD1 3.93Å; Y694-Y768 HydrophobicContact CD2-CD1 3.93Å; Y694-Y768 HydrophobicContact CD2-CD2 4.27Å; Y694-Y768 AromaticContact CD2-CE1 3.44Å; Y694-Y768 HydrophobicContact CD2-CE1 3.44Å; Y694-Y768 VanDerWaalsContact CD2-CE1 3.44Å; Y694-Y768 AromaticContact CD2-CE2 3.87Å; Y694-Y768 HydrophobicContact CD2-CE2 3.87Å; Y694-Y768 HydrophobicContact CD2-CG 4.3Å; Y694-Y768 AromaticContact CD2-CZ 3.41Å; Y694-Y768 VanDerWaalsContact CD2-CZ 3.41Å; Y694-Y768 AromaticContact CE2-CD1 3.94Å; Y694-Y768 HydrophobicContact CE2-CD1 3.94Å; Y694-Y768 AromaticContact CE2-CE1 3.64Å; Y694-Y768 HydrophobicContact CE2-CE1 3.64Å; Y694-Y768 HydrophobicContact CG-CE1 4.13Å; Y694-Y768 HydrophobicContact CG-CE2 4.31Å; Y694-Y768 AromaticContact CG-CZ 3.76Å; Y694-Y768 PolarHBondContact N-OH 3.41Å
695T91.8Very high91.9Very high33 Ų3347.7 Ų47.720%0.20228%0.283CS..BIsolated β-bridgetrans-160.4133.3176.8-178.30000113.8Y688 G691 S692 G697 V764Y688-T695 HydrophobicContact CD1-CG2 4.4Å; G691-T695 CarbonylContact C-O 3.52Å; G691-T695 VanDerWaalsContact CA-O 3.27Å; G691-T695 WeakPolarHBondContact CA-O 3.34Å; S692-T695 PolarHBondContact N-O 3.43Å; S692-T695 CarbonylContact O-C 3.42Å; S692-T695 PolarHBondContact O-N 3.36Å; S692-T695 WeakPolarHBondContact OG-CG2 3.43Å; T695-G697 PolarHBondContact O-N 3.38Å; T695-G697 VanDerWaalsContact O-N 3.1Å; T695-V764 HydrophobicContact CG2-CG1 4.13Å
696E88.9Confident91.8Very high190 Ų19047.5 Ų47.589%0.88828%0.282SS*.  trans-64.2-13.5-177.8-167.4173.3-165.800114.7
697G92.4Very high91.5Very high14 Ų1446.8 Ų46.814%0.14428%0.278CS..  trans80.6-159.4-178.500000113.6T695T695-G697 PolarHBondContact O-N 3.38Å; T695-G697 VanDerWaalsContact O-N 3.1Å
698I92.2Very high91.3Very high10 Ų1047.7 Ų47.75%0.05128%0.281CS..  trans-117.3124.3175.4-55.6177.7000110.1L689 T700 V701 F724 L753 L755 F759L689-I698 HydrophobicContact CD2-CD1 3.49Å; L689-I698 VanDerWaalsContact CD2-CD1 3.49Å; L689-I698 HydrophobicContact CD2-CG1 4.45Å; L689-I698 PolarHBondContact O-N 2.74Å; I698-T700 PolarHBondContact O-N 3.1Å; I698-V701 HydrophobicContact CB-CB 4.03Å; I698-V701 HydrophobicContact CB-CG2 3.67Å; I698-V701 HydrophobicContact CG2-CB 4.44Å; I698-V701 HydrophobicContact CG2-CG2 3.57Å; I698-V701 WeakPolarHBondContact O-CB 3.25Å; I698-V701 PolarHBondContact O-N 3.03Å; I698-V701 VanDerWaalsContact O-N 3.08Å; I698-F724 HydrophobicContact CD1-CE1 3.81Å; I698-F724 HydrophobicContact CD1-CZ 4.45Å; I698-L753 HydrophobicContact CG2-CB 4.36Å; I698-L755 HydrophobicContact CD1-CD2 3.47Å; I698-L755 VanDerWaalsContact CD1-CD2 3.47Å; I698-L755 HydrophobicContact CG1-CD2 3.98Å; I698-F759 HydrophobicContact CD1-CE1 4.49Å; I698-F759 HydrophobicContact CD1-CE2 4.11Å; I698-F759 HydrophobicContact CD1-CZ 3.95Å; I698-F759 HydrophobicContact CG1-CE2 4.18Å
699P89.5Confident91.1Very high86 Ų8647.5 Ų47.556%0.55828%0.28SS*.THydrogen-bonded Turntrans-49.5133.8175.3-29.335.8000113.4V701P699-V701 VanDerWaalsContact C-N 3.28Å; P699-V701 PolarHBondContact O-N 2.81Å
700T88.6Confident90.9Very high109 Ų10948.1 Ų48.167%0.66928%0.283SS*.THydrogen-bonded Turntrans68.17.4-177.481.30000117I698 G702 K749 L753I698-T700 PolarHBondContact O-N 3.1Å; T700-G702 PolarHBondContact O-N 3.19Å; T700-K749 PolarHBondContact O-NZ 3.18Å; T700-L753 WeakPolarHBondContact OG1-CD2 3.36Å
701V91.4Very high90.6Very high8 Ų845.7 Ų45.75%0.04827%0.27CS..  trans-97.684.7177.8-177.10000110.8L689 L690 I698 P699 T705 A706 I709 L753L689-V701 HydrophobicContact CB-CG1 4.09Å; L689-V701 WeakPolarHBondContact O-CB 3.48Å; L689-V701 WeakPolarHBondContact O-CG1 3.43Å; L690-V701 WeakPolarHBondContact CD2-O 3.23Å; I698-V701 HydrophobicContact CB-CB 4.03Å; I698-V701 HydrophobicContact CB-CG2 3.67Å; I698-V701 HydrophobicContact CG2-CB 4.44Å; I698-V701 HydrophobicContact CG2-CG2 3.57Å; I698-V701 WeakPolarHBondContact O-CB 3.25Å; I698-V701 PolarHBondContact O-N 3.03Å; I698-V701 VanDerWaalsContact O-N 3.08Å; P699-V701 VanDerWaalsContact C-N 3.28Å; P699-V701 PolarHBondContact O-N 2.81Å; V701-T705 HydrophobicContact CG1-CG2 4.13Å; V701-T705 HydrophobicContact CG2-CG2 4.3Å; V701-A706 HydrophobicContact CG1-CB 4.04Å; V701-I709 HydrophobicContact CG1-CD1 4.07Å; V701-L753 HydrophobicContact CG2-CD1 3.67Å; V701-L753 HydrophobicContact CG2-CD2 3.58Å; V701-L753 HydrophobicContact CG2-CG 4.26Å
702G90.5Very high90.4Very high41 Ų4146.6 Ų46.642%0.42327%0.267SS..  trans-82.7170.4166.300000113.2T700 V704 T705 A706T700-G702 PolarHBondContact O-N 3.19Å; G702-V704 VanDerWaalsContact C-N 3.27Å; G702-V704 PolarHBondContact O-N 2.89Å; G702-T705 WeakPolarHBondContact O-CA 3.25Å; G702-T705 WeakPolarHBondContact O-CB 3.37Å; G702-T705 PolarHBondContact O-N 3.28Å; G702-A706 PolarHBondContact O-N 3.15Å; G702-A706 VanDerWaalsContact O-N 3.1Å
703C90.1Very high90.2Very high78 Ų7846.3 Ų46.353%0.52726%0.263SS..Hα-helixtrans-41.1-42.1-173.1-57.70000116.1M707C703-M707 WeakPolarHBondContact O-CB 3.45Å; C703-M707 PolarHBondContact O-N 2.88Å
704V89.9Confident90.1Very high38 Ų3843 Ų4323%0.2325%0.25CC..Hα-helixtrans-65.6-39.9178.1-172.80000111.8G702 E708 R846 L847G702-V704 VanDerWaalsContact C-N 3.27Å; G702-V704 PolarHBondContact O-N 2.89Å; V704-E708 WeakPolarHBondContact O-CB 3.44Å; V704-E708 VanDerWaalsContact O-CG 3.23Å; V704-E708 WeakPolarHBondContact O-CG 3.4Å; V704-E708 PolarHBondContact O-N 2.79Å; V704-R846 HydrophobicContact CG1-CB 3.69Å; V704-L847 HydrophobicContact CG2-CB 4.41Å
705T90.4Very high90Very high10 Ų1040.7 Ų40.76%0.06125%0.25CC..Hα-helixtrans-73.5-41.6178.8-48.70000110.4V701 G702 E708 I709 K749 L750V701-T705 HydrophobicContact CG1-CG2 4.13Å; V701-T705 HydrophobicContact CG2-CG2 4.3Å; G702-T705 WeakPolarHBondContact O-CA 3.25Å; G702-T705 WeakPolarHBondContact O-CB 3.37Å; G702-T705 PolarHBondContact O-N 3.28Å; T705-E708 PolarHBondContact O-N 2.92Å; T705-I709 HydrophobicContact CG2-CD1 4.39Å; T705-I709 WeakPolarHBondContact O-CG1 3.45Å; T705-I709 PolarHBondContact O-N 2.8Å; T705-K749 HydrophobicContact CG2-CD 4.26Å; T705-K749 PolarHBondContact OG1-NZ 3.41Å; T705-L750 HydrophobicContact CG2-CD2 3.89Å
706A93Very high89.9Confident0 Ų046.3 Ų46.30%027%0.274CS..Hα-helixtrans-61-45.4176.100000111.9L686 L689 L690 V701 G702 E708 I709 L710L686-A706 HydrophobicContact CD2-CB 3.57Å; L689-A706 HydrophobicContact CB-CB 3.8Å; L689-A706 HydrophobicContact CD1-CB 3.99Å; L690-A706 HydrophobicContact CD2-CB 3.66Å; L690-A706 HydrophobicContact CG-CB 4.12Å; V701-A706 HydrophobicContact CG1-CB 4.04Å; G702-A706 PolarHBondContact O-N 3.15Å; G702-A706 VanDerWaalsContact O-N 3.1Å; A706-E708 VanDerWaalsContact C-N 3.32Å; A706-E708 PolarHBondContact O-N 3.47Å; A706-I709 WeakPolarHBondContact O-CB 3.48Å; A706-I709 PolarHBondContact O-N 3.14Å; A706-L710 PolarHBondContact O-N 2.79Å; A706-L710 VanDerWaalsContact O-N 3.1Å
707M89.8Confident90Very high7 Ų738.6 Ų38.63%0.03425%0.245CC..Hα-helixtrans-66.3-31.9175.1-165.680.1-95.900112.9L678 C703 L710 N711 L847 A850 V851 M854L678-M707 HydrophobicContact CD2-CE 4.43Å; L678-M707 HydrophobicContact CD2-SD 4.42Å; C703-M707 WeakPolarHBondContact O-CB 3.45Å; C703-M707 PolarHBondContact O-N 2.88Å; M707-L710 HydrophobicContact CE-CB 4.12Å; M707-L710 HydrophobicContact CE-CD1 4.43Å; M707-N711 WeakPolarHBondContact O-CB 3.44Å; M707-N711 PolarHBondContact O-N 2.86Å; M707-N711 VanDerWaalsContact O-N 3.17Å; M707-N711 PolarHBondContact O-ND2 3.08Å; M707-L847 HydrophobicContact CB-CD1 3.59Å; M707-L847 HydrophobicContact CG-CD1 3.71Å; M707-A850 HydrophobicContact CB-CB 4.36Å; M707-A850 HydrophobicContact CG-CB 3.72Å; M707-V851 HydrophobicContact CG-CG2 4.33Å; M707-V851 HydrophobicContact SD-CG2 4.08Å; M707-M854 HydrophobicContact CE-CE 3.56Å; M707-M854 HydrophobicContact CE-SD 3.45Å; M707-M854 WeakPolarHBondContact CE-SD 3.11Å; M707-M854 HydrophobicContact SD-CE 4.3Å
708E89.9Confident89.9Confident27 Ų2739.8 Ų39.813%0.12625%0.248CC..Hα-helixtrans-68.5-35.6172.4-79.1172-176.200112.1V704 T705 A706 N711 E712 V746 R846V704-E708 WeakPolarHBondContact O-CB 3.44Å; V704-E708 VanDerWaalsContact O-CG 3.23Å; V704-E708 WeakPolarHBondContact O-CG 3.4Å; V704-E708 PolarHBondContact O-N 2.79Å; T705-E708 PolarHBondContact O-N 2.92Å; A706-E708 VanDerWaalsContact C-N 3.32Å; A706-E708 PolarHBondContact O-N 3.47Å; E708-N711 PolarHBondContact O-N 3.06Å; E708-E712 WeakPolarHBondContact O-CB 3.27Å; E708-E712 PolarHBondContact O-N 3.37Å; E708-V746 HydrophobicContact CB-CG1 4.05Å; E708-V746 HydrophobicContact CB-CG2 4.41Å; E708-V746 HydrophobicContact CG-CG2 4.38Å; E708-R846 IonicContact OE1-CZ 3.88Å; E708-R846 VanDerWaalsContact OE1-CZ 3.27Å; E708-R846 IonicContact OE1-NE 3.4Å; E708-R846 PolarHBondContact OE1-NE 3.09Å; E708-R846 IonicContact OE1-NH2 2.76Å; E708-R846 PolarHBondContact OE1-NH2 2.83Å; E708-R846 IonicContact OE2-CZ 2.95Å; E708-R846 IonicContact OE2-NH2 3.06Å; E708-R846 PolarHBondContact OE2-NH2 3.31Å
709I91.1Very high90Very high0 Ų043.2 Ų43.20%026%0.264CS..Hα-helixtrans-63.3-55.9173.6-68.8163.2000110.5L689 V701 T705 A706 N711 E712 F713 F724 L750 L753L689-I709 HydrophobicContact CD1-CB 4.15Å; L689-I709 HydrophobicContact CD1-CD1 4.28Å; L689-I709 HydrophobicContact CD1-CG2 4.03Å; L689-I709 HydrophobicContact CD2-CD1 3.85Å; L689-I709 HydrophobicContact CD2-CG2 4.41Å; V701-I709 HydrophobicContact CG1-CD1 4.07Å; T705-I709 HydrophobicContact CG2-CD1 4.39Å; T705-I709 WeakPolarHBondContact O-CG1 3.45Å; T705-I709 PolarHBondContact O-N 2.8Å; A706-I709 WeakPolarHBondContact O-CB 3.48Å; A706-I709 PolarHBondContact O-N 3.14Å; I709-N711 PolarHBondContact O-N 3Å; I709-N711 VanDerWaalsContact O-N 3.14Å; I709-E712 PolarHBondContact O-N 3.14Å; I709-F713 HydrophobicContact CG2-CD2 4.26Å; I709-F713 WeakPolarHBondContact O-CD2 3.43Å; I709-F713 PolarHBondContact O-N 2.86Å; I709-F724 HydrophobicContact CD1-CE1 4.23Å; I709-F724 HydrophobicContact CD1-CZ 4.1Å; I709-F724 HydrophobicContact CG2-CB 4.26Å; I709-F724 HydrophobicContact CG2-CD1 4.01Å; I709-F724 HydrophobicContact CG2-CD2 4.24Å; I709-F724 HydrophobicContact CG2-CE1 4.47Å; I709-F724 HydrophobicContact CG2-CG 3.89Å; I709-L750 HydrophobicContact CD1-CD2 3.78Å; I709-L750 HydrophobicContact CG1-CD1 3.77Å; I709-L750 HydrophobicContact CG1-CD2 3.44Å; I709-L750 VanDerWaalsContact CG1-CD2 3.44Å; I709-L750 HydrophobicContact CG1-CG 4.26Å; I709-L753 HydrophobicContact CD1-CD1 4.44Å
710L90.6Very high90.2Very high13 Ų1339.4 Ų39.47%0.06824%0.239CC..Hα-helixtrans-62.6-23.7-178.8-58.4-177.6000112.8K682 N685 L686 L689 A706 M707 P720 L721K682-L710 HydrophobicContact CB-CD1 4.48Å; N685-L710 HydrophobicContact CB-CD1 4.26Å; N685-L710 HydrophobicContact CB-CD2 3.82Å; L686-L710 HydrophobicContact CD2-CD1 3.71Å; L686-L710 HydrophobicContact CG-CD1 3.85Å; L689-L710 HydrophobicContact CD1-CD2 4.04Å; L689-L710 HydrophobicContact CD1-CG 4.17Å; A706-L710 PolarHBondContact O-N 2.79Å; A706-L710 VanDerWaalsContact O-N 3.1Å; M707-L710 HydrophobicContact CE-CB 4.12Å; M707-L710 HydrophobicContact CE-CD1 4.43Å; L710-P720 HydrophobicContact CD2-CB 3.77Å; L710-L721 HydrophobicContact CD2-CD2 4.37Å
711N88.3Confident90.4Very high17 Ų1734.2 Ų34.29%0.09121%0.207CC..Hα-helixtrans-77.4-34.3171.4-95-85.1000114.1M707 E708 I709 A850 C853 M854 K857M707-N711 WeakPolarHBondContact O-CB 3.44Å; M707-N711 PolarHBondContact O-N 2.86Å; M707-N711 VanDerWaalsContact O-N 3.17Å; M707-N711 PolarHBondContact O-ND2 3.08Å; E708-N711 PolarHBondContact O-N 3.06Å; I709-N711 PolarHBondContact O-N 3Å; I709-N711 VanDerWaalsContact O-N 3.14Å; N711-A850 VanDerWaalsContact CG-O 3.32Å; N711-A850 PolarHBondContact ND2-O 2.68Å; N711-A850 PolarHBondContact OD1-O 2.89Å; N711-C853 WeakPolarHBondContact OD1-CB 3.32Å; N711-M854 PolarHBondContact OD1-N 2.91Å; N711-M854 VanDerWaalsContact OD1-N 3.13Å; N711-K857 PolarHBondContact O-NZ 3.13Å
712E88Confident90.4Very high49 Ų4937.6 Ų37.623%0.22922%0.224CC..Hα-helixtrans-79.9-30.1-179.3-173.278.2-128.500111.3E708 I709 P714 T744 K747E708-E712 WeakPolarHBondContact O-CB 3.27Å; E708-E712 PolarHBondContact O-N 3.37Å; I709-E712 PolarHBondContact O-N 3.14Å; E712-P714 WeakPolarHBondContact O-CD 3.42Å; E712-T744 WeakPolarHBondContact OE2-CG2 3.48Å; E712-T744 PolarHBondContact OE2-OG1 3.41Å; E712-K747 HydrophobicContact CG-CD 4.08Å; E712-K747 VanDerWaalsContact CG-CE 3.48Å; E712-K747 HydrophobicContact CG-CG 4.05Å; E712-K747 VanDerWaalsContact OE1-CE 3.32Å; E712-K747 WeakPolarHBondContact OE1-CE 3.26Å; E712-K747 IonicContact OE1-NZ 2.88Å; E712-K747 PolarHBondContact OE1-NZ 2.85Å
713F88.9Confident90.5Very high15 Ų1539.2 Ų39.27%0.06622%0.22CC..SBendtrans-119.782.7-178.3-59.2-85.4000112.6I709 P720 K723 F724 W727 L750I709-F713 HydrophobicContact CG2-CD2 4.26Å; I709-F713 WeakPolarHBondContact O-CD2 3.43Å; I709-F713 PolarHBondContact O-N 2.86Å; F713-P720 WeakPolarHBondContact O-CA 3.36Å; F713-P720 VanDerWaalsContact O-CB 3.26Å; F713-P720 WeakPolarHBondContact O-CB 3.45Å; F713-K723 HydrophobicContact CB-CB 4.49Å; F713-K723 HydrophobicContact CD1-CB 4.1Å; F713-F724 HydrophobicContact CD1-CB 4.46Å; F713-F724 HydrophobicContact CD2-CB 3.94Å; F713-F724 HydrophobicContact CD2-CD2 4.23Å; F713-F724 HydrophobicContact CD2-CG 4.44Å; F713-F724 HydrophobicContact CE2-CB 4.2Å; F713-F724 AromaticContact CE2-CD2 3.75Å; F713-F724 HydrophobicContact CE2-CD2 3.75Å; F713-F724 HydrophobicContact CE2-CG 4.39Å; F713-F724 HydrophobicContact CG-CB 4.09Å; F713-F724 HydrophobicContact CZ-CD2 4.2Å; F713-W727 HydrophobicContact CE1-CB 3.7Å; F713-W727 HydrophobicContact CE1-CD2 4.18Å; F713-W727 AromaticContact CE1-CG 3.79Å; F713-W727 HydrophobicContact CE1-CG 3.79Å; F713-W727 HydrophobicContact CE2-CE3 4.43Å; F713-W727 HydrophobicContact CZ-CB 4.03Å; F713-W727 AromaticContact CZ-CD2 3.62Å; F713-W727 HydrophobicContact CZ-CD2 3.62Å; F713-W727 AromaticContact CZ-CE3 3.71Å; F713-W727 HydrophobicContact CZ-CE3 3.71Å; F713-W727 AromaticContact CZ-CG 3.75Å; F713-W727 HydrophobicContact CZ-CG 3.75Å; F713-W727 HydrophobicContact CZ-CZ3 4.5Å; F713-L750 HydrophobicContact CE2-CD1 3.99Å
714P88.1Confident90.6Very high79 Ų7935.5 Ų35.551%0.51320%0.195SC..  trans-74148.9178.130.6-35.2000113.1E712 K723E712-P714 WeakPolarHBondContact O-CD 3.42Å; P714-K723 PolarHBondContact O-NZ 3.19Å
715G87.4Confident90.7Very high31 Ų3134.1 Ų34.132%0.3219%0.187SC..  trans171.3173.3176.700000111.7E719G715-E719 WeakPolarHBondContact CA-OE2 3.31Å
716H88.3Confident90.8Very high151 Ų15139.5 Ų39.570%0.69921%0.211SC*.SBendtrans-99.3153.2176.6-59.2-97.4000111.2L718 E719H716-L718 PolarHBondContact O-N 2.8Å; H716-E719 PolarHBondContact N-OE2 3.27Å; H716-E719 VanDerWaalsContact O-CB 3.24Å; H716-E719 WeakPolarHBondContact O-CB 3.31Å; H716-E719 WeakPolarHBondContact O-CG 3.4Å; H716-E719 PolarHBondContact O-N 3.26Å
717G91.1Very high90.6Very high28 Ų2841.3 Ų41.329%0.28922%0.218SC..THydrogen-bonded Turntrans54.7-129.3-178.400000112.1N685 P720N685-G717 PolarHBondContact ND2-O 3.29Å; G717-P720 VanDerWaalsContact O-CD 3.31Å; G717-P720 WeakPolarHBondContact O-CD 3.37Å
718L91.7Very high90.6Very high39 Ų3942.4 Ų42.420%0.20422%0.222CC..THydrogen-bonded Turntrans-79.5-6.2178-76.7171.5000115.2Y688 H716 P720 L721 L722 P762 A765Y688-L718 HydrophobicContact CD2-CD2 4.28Å; Y688-L718 HydrophobicContact CE2-CD2 3.57Å; H716-L718 PolarHBondContact O-N 2.8Å; L718-P720 VanDerWaalsContact C-N 3.32Å; L718-L721 HydrophobicContact CD2-CD1 4.15Å; L718-L721 PolarHBondContact O-N 2.9Å; L718-L722 HydrophobicContact CB-CD1 4.44Å; L718-L722 PolarHBondContact O-N 3.05Å; L718-L722 VanDerWaalsContact O-N 3.14Å; L718-P762 HydrophobicContact CD1-CB 4.04Å; L718-A765 HydrophobicContact CD1-CB 3.94Å; L718-A765 HydrophobicContact CD2-CB 4.08Å; L718-A765 HydrophobicContact CG-CB 4.16Å
719E92.6Very high90.5Very high81 Ų8144.5 Ų44.538%0.37923%0.232SC..Hα-helixtrans-50.4-39.8-179-77.5-178.3-159.100115.2G715 H716 L721 L722 K723G715-E719 WeakPolarHBondContact CA-OE2 3.31Å; H716-E719 PolarHBondContact N-OE2 3.27Å; H716-E719 VanDerWaalsContact O-CB 3.24Å; H716-E719 WeakPolarHBondContact O-CB 3.31Å; H716-E719 WeakPolarHBondContact O-CG 3.4Å; H716-E719 PolarHBondContact O-N 3.26Å; E719-L721 VanDerWaalsContact C-N 3.26Å; E719-L721 PolarHBondContact O-N 3.27Å; E719-L722 PolarHBondContact O-N 3.06Å; E719-K723 WeakPolarHBondContact O-CB 2.8Å; E719-K723 WeakPolarHBondContact O-CD 3.34Å; E719-K723 VanDerWaalsContact O-CG 3.25Å; E719-K723 WeakPolarHBondContact O-CG 3.49Å; E719-K723 PolarHBondContact O-N 3.01Å; E719-K723 WeakPolarHBondContact OE2-CE 3.36Å; E719-K723 IonicContact OE2-NZ 2.67Å; E719-K723 PolarHBondContact OE2-NZ 2.88Å
720P93.6Very high90.3Very high6 Ų650.8 Ų50.84%0.03926%0.261CS..Hα-helixtrans-56.2-40.2177.3-29.139.1000113.2L710 F713 G717 L718 F724L710-P720 HydrophobicContact CD2-CB 3.77Å; F713-P720 WeakPolarHBondContact O-CA 3.36Å; F713-P720 VanDerWaalsContact O-CB 3.26Å; F713-P720 WeakPolarHBondContact O-CB 3.45Å; G717-P720 VanDerWaalsContact O-CD 3.31Å; G717-P720 WeakPolarHBondContact O-CD 3.37Å; L718-P720 VanDerWaalsContact C-N 3.32Å; P720-F724 VanDerWaalsContact O-CB 3.25Å; P720-F724 WeakPolarHBondContact O-CB 3.44Å; P720-F724 PolarHBondContact O-N 3.05Å; P720-F724 VanDerWaalsContact O-N 3.16Å
721L93.2Very high90Very high0 Ų050.8 Ų50.80%026%0.263CS..Hα-helixtrans-79.9-36.6-177.3-60.1-174.2000112.2N685 Y688 L689 L710 L718 E719 F724 S725 F759 P760N685-L721 HydrophobicContact CB-CD1 4.23Å; N685-L721 HydrophobicContact CB-CD2 4.41Å; N685-L721 HydrophobicContact CB-CG 4.22Å; N685-L721 WeakPolarHBondContact OD1-CD1 3.4Å; Y688-L721 HydrophobicContact CD1-CD1 4.42Å; Y688-L721 HydrophobicContact CD2-CD1 3.44Å; Y688-L721 VanDerWaalsContact CD2-CD1 3.44Å; Y688-L721 HydrophobicContact CE2-CD1 4.19Å; Y688-L721 HydrophobicContact CG-CD1 3.57Å; L689-L721 HydrophobicContact CD1-CD2 3.95Å; L689-L721 HydrophobicContact CD2-CD2 3.87Å; L689-L721 HydrophobicContact CG-CD2 3.87Å; L710-L721 HydrophobicContact CD2-CD2 4.37Å; L718-L721 HydrophobicContact CD2-CD1 4.15Å; L718-L721 PolarHBondContact O-N 2.9Å; E719-L721 VanDerWaalsContact C-N 3.26Å; E719-L721 PolarHBondContact O-N 3.27Å; L721-F724 PolarHBondContact O-N 3.35Å; L721-S725 WeakPolarHBondContact O-CB 3.48Å; L721-S725 PolarHBondContact O-N 2.76Å; L721-F759 HydrophobicContact CB-CE1 4.21Å; L721-F759 HydrophobicContact CD1-CZ 4.27Å; L721-F759 HydrophobicContact CD2-CE1 4.49Å; L721-F759 HydrophobicContact CD2-CZ 4.23Å; L721-P760 HydrophobicContact CB-CB 4.05Å; L721-P760 HydrophobicContact CB-CG 3.8Å; L721-P760 HydrophobicContact CD1-CB 4.13Å
722L92.9Very high89.8Confident79 Ų7953.8 Ų53.841%0.41428%0.277SS..Hα-helixtrans-61-52.6173.4-67.5169.5000110.7L718 E719 F724 S725 E726 P760L718-L722 HydrophobicContact CB-CD1 4.44Å; L718-L722 PolarHBondContact O-N 3.05Å; L718-L722 VanDerWaalsContact O-N 3.14Å; E719-L722 PolarHBondContact O-N 3.06Å; L722-F724 VanDerWaalsContact C-N 3.26Å; L722-F724 PolarHBondContact O-N 2.9Å; L722-S725 PolarHBondContact O-N 3.02Å; L722-S725 VanDerWaalsContact O-N 3.14Å; L722-E726 WeakPolarHBondContact O-CB 3.33Å; L722-E726 WeakPolarHBondContact O-CG 3.48Å; L722-E726 PolarHBondContact O-N 2.93Å; L722-P760 HydrophobicContact CD2-CG 3.87Å; L722-P760 HydrophobicContact CG-CG 4.25Å
723K92.3Very high89.5Confident76 Ų7659 Ų5933%0.3330%0.298SS..Hα-helixtrans-61.8-33178.5-65.6167.4-167.1173.20112.6F713 P714 E719 W727F713-K723 HydrophobicContact CB-CB 4.49Å; F713-K723 HydrophobicContact CD1-CB 4.1Å; P714-K723 PolarHBondContact O-NZ 3.19Å; E719-K723 WeakPolarHBondContact O-CB 2.8Å; E719-K723 WeakPolarHBondContact O-CD 3.34Å; E719-K723 VanDerWaalsContact O-CG 3.25Å; E719-K723 WeakPolarHBondContact O-CG 3.49Å; E719-K723 PolarHBondContact O-N 3.01Å; E719-K723 WeakPolarHBondContact OE2-CE 3.36Å; E719-K723 IonicContact OE2-NZ 2.67Å; E719-K723 PolarHBondContact OE2-NZ 2.88Å; K723-W727 VanDerWaalsContact O-CB 3.22Å; K723-W727 WeakPolarHBondContact O-CB 3.36Å; K723-W727 PolarHBondContact O-N 2.9Å; K723-W727 VanDerWaalsContact O-N 3.15Å
724F92.4Very high88.5Confident0 Ų062.1 Ų62.10%032%0.316CS..Hα-helixtrans-70-45.2173.9167.4-124000112.1L689 I698 I709 F713 P720 L721 L722 W727 W728 L750 L753 L755 F759L689-F724 HydrophobicContact CD2-CD1 4.44Å; L689-F724 HydrophobicContact CD2-CE1 4.17Å; I698-F724 HydrophobicContact CD1-CE1 3.81Å; I698-F724 HydrophobicContact CD1-CZ 4.45Å; I709-F724 HydrophobicContact CD1-CE1 4.23Å; I709-F724 HydrophobicContact CD1-CZ 4.1Å; I709-F724 HydrophobicContact CG2-CB 4.26Å; I709-F724 HydrophobicContact CG2-CD1 4.01Å; I709-F724 HydrophobicContact CG2-CD2 4.24Å; I709-F724 HydrophobicContact CG2-CE1 4.47Å; I709-F724 HydrophobicContact CG2-CG 3.89Å; F713-F724 HydrophobicContact CD1-CB 4.46Å; F713-F724 HydrophobicContact CD2-CB 3.94Å; F713-F724 HydrophobicContact CD2-CD2 4.23Å; F713-F724 HydrophobicContact CD2-CG 4.44Å; F713-F724 HydrophobicContact CE2-CB 4.2Å; F713-F724 AromaticContact CE2-CD2 3.75Å; F713-F724 HydrophobicContact CE2-CD2 3.75Å; F713-F724 HydrophobicContact CE2-CG 4.39Å; F713-F724 HydrophobicContact CG-CB 4.09Å; F713-F724 HydrophobicContact CZ-CD2 4.2Å; P720-F724 VanDerWaalsContact O-CB 3.25Å; P720-F724 WeakPolarHBondContact O-CB 3.44Å; P720-F724 PolarHBondContact O-N 3.05Å; P720-F724 VanDerWaalsContact O-N 3.16Å; L721-F724 PolarHBondContact O-N 3.35Å; L722-F724 VanDerWaalsContact C-N 3.26Å; L722-F724 PolarHBondContact O-N 2.9Å; F724-W727 HydrophobicContact CD2-CE3 4.13Å; F724-W727 HydrophobicContact CD2-CZ3 4.45Å; F724-W727 HydrophobicContact CE2-CE3 4.33Å; F724-W727 HydrophobicContact CE2-CZ3 4.23Å; F724-W727 PolarHBondContact O-N 3.35Å; F724-W728 WeakPolarHBondContact O-CB 3.33Å; F724-W728 PolarHBondContact O-N 2.67Å; F724-L750 HydrophobicContact CE2-CB 4.24Å; F724-L750 HydrophobicContact CE2-CD1 4.25Å; F724-L753 HydrophobicContact CZ-CD1 4.02Å; F724-L755 HydrophobicContact CE1-CD1 4Å; F724-L755 HydrophobicContact CE1-CD2 4.3Å; F724-L755 HydrophobicContact CZ-CD1 4.13Å; F724-F759 HydrophobicContact CD1-CE1 4.19Å; F724-F759 HydrophobicContact CE1-CE1 4.39Å
725S91.6Very high87.2Confident9 Ų963.5 Ų63.56%0.06333%0.325CS..Hα-helixtrans-64-46.6178-169.90000111.8L721 L722 W728 H729 F759L721-S725 WeakPolarHBondContact O-CB 3.48Å; L721-S725 PolarHBondContact O-N 2.76Å; L722-S725 PolarHBondContact O-N 3.02Å; L722-S725 VanDerWaalsContact O-N 3.14Å; S725-W728 PolarHBondContact O-N 3.36Å; S725-H729 PolarHBondContact O-CD2 3.26Å; S725-H729 PolarHBondContact O-N 3.2Å; S725-F759 WeakPolarHBondContact CB-O 3.22Å; S725-F759 PolarHBondContact OG-O 3.41Å
726E91.1Very high85.5Confident123 Ų12371.8 Ų71.858%0.57535%0.352SS*.Hα-helixtrans-55.1-53.9173-72.6171.6171.300111.6L722 W728 H729 E730L722-E726 WeakPolarHBondContact O-CB 3.33Å; L722-E726 WeakPolarHBondContact O-CG 3.48Å; L722-E726 PolarHBondContact O-N 2.93Å; E726-W728 VanDerWaalsContact C-N 3.3Å; E726-W728 PolarHBondContact O-N 3.44Å; E726-H729 PolarHBondContact O-N 3.12Å; E726-E730 PolarHBondContact O-N 3.33Å
727W90.1Very high83.7Confident38 Ų3870 Ų7014%0.14435%0.346CS..Hα-helixtrans-59.1-39.4178.5169.582.4000112.6F713 K723 F724 E730 A731 K747 L750 R751F713-W727 HydrophobicContact CE1-CB 3.7Å; F713-W727 HydrophobicContact CE1-CD2 4.18Å; F713-W727 AromaticContact CE1-CG 3.79Å; F713-W727 HydrophobicContact CE1-CG 3.79Å; F713-W727 HydrophobicContact CE2-CE3 4.43Å; F713-W727 HydrophobicContact CZ-CB 4.03Å; F713-W727 AromaticContact CZ-CD2 3.62Å; F713-W727 HydrophobicContact CZ-CD2 3.62Å; F713-W727 AromaticContact CZ-CE3 3.71Å; F713-W727 HydrophobicContact CZ-CE3 3.71Å; F713-W727 AromaticContact CZ-CG 3.75Å; F713-W727 HydrophobicContact CZ-CG 3.75Å; F713-W727 HydrophobicContact CZ-CZ3 4.5Å; K723-W727 VanDerWaalsContact O-CB 3.22Å; K723-W727 WeakPolarHBondContact O-CB 3.36Å; K723-W727 PolarHBondContact O-N 2.9Å; K723-W727 VanDerWaalsContact O-N 3.15Å; F724-W727 HydrophobicContact CD2-CE3 4.13Å; F724-W727 HydrophobicContact CD2-CZ3 4.45Å; F724-W727 HydrophobicContact CE2-CE3 4.33Å; F724-W727 HydrophobicContact CE2-CZ3 4.23Å; F724-W727 PolarHBondContact O-N 3.35Å; W727-E730 PolarHBondContact O-N 3.21Å; W727-A731 VanDerWaalsContact O-CB 3.27Å; W727-A731 WeakPolarHBondContact O-CB 3.37Å; W727-A731 PolarHBondContact O-N 3.41Å; W727-K747 HydrophobicContact CH2-CB 4.22Å; W727-K747 HydrophobicContact CH2-CG 4.14Å; W727-K747 WeakPolarHBondContact CH2-O 3.45Å; W727-K747 HydrophobicContact CZ2-CB 3.77Å; W727-K747 HydrophobicContact CZ2-CD 4.19Å; W727-K747 HydrophobicContact CZ2-CG 3.64Å; W727-L750 HydrophobicContact CH2-CB 3.81Å; W727-L750 HydrophobicContact CZ3-CB 3.69Å; W727-R751 HydrophobicContact CH2-CB 4.41Å; W727-R751 HydrophobicContact CH2-CG 4.42Å
728W90.2Very high81.7Confident29 Ų2979.3 Ų79.311%0.1137%0.373CS..Hα-helixtrans-66.5-46.4177.2-179.394.6000110.9F724 S725 E726 E730 A731 Q732 L753 L755F724-W728 WeakPolarHBondContact O-CB 3.33Å; F724-W728 PolarHBondContact O-N 2.67Å; S725-W728 PolarHBondContact O-N 3.36Å; E726-W728 VanDerWaalsContact C-N 3.3Å; E726-W728 PolarHBondContact O-N 3.44Å; W728-E730 VanDerWaalsContact C-N 3.34Å; W728-E730 PolarHBondContact O-N 3.36Å; W728-A731 WeakPolarHBondContact O-CB 3.47Å; W728-A731 PolarHBondContact O-N 3.49Å; W728-A731 VanDerWaalsContact O-N 3.1Å; W728-Q732 HydrophobicContact CD2-CG 3.86Å; W728-Q732 VanDerWaalsContact CE2-NE2 3.28Å; W728-Q732 HydrophobicContact CE3-CG 4.11Å; W728-Q732 HydrophobicContact CH2-CG 4.02Å; W728-Q732 HydrophobicContact CZ2-CG 3.76Å; W728-Q732 HydrophobicContact CZ3-CG 4.19Å; W728-Q732 VanDerWaalsContact NE1-NE2 3.11Å; W728-Q732 WeakPolarHBondContact O-CG 3.43Å; W728-Q732 PolarHBondContact O-N 3.4Å; W728-L753 WeakPolarHBondContact CZ2-O 3.32Å; W728-L753 PolarHBondContact NE1-O 3.43Å; W728-L755 HydrophobicContact CB-CD1 3.86Å; W728-L755 HydrophobicContact CD2-CB 4.1Å; W728-L755 HydrophobicContact CD2-CD1 3.71Å; W728-L755 HydrophobicContact CD2-CG 4.24Å; W728-L755 HydrophobicContact CE3-CB 3.95Å; W728-L755 HydrophobicContact CE3-CD1 3.96Å; W728-L755 HydrophobicContact CE3-CG 4.48Å; W728-L755 HydrophobicContact CG-CD1 3.68Å; W728-L755 HydrophobicContact CH2-CB 3.95Å; W728-L755 HydrophobicContact CZ2-CB 4.07Å; W728-L755 HydrophobicContact CZ3-CB 3.87Å
729H87.5Confident79.8Confident72 Ų7281.9 Ų81.933%0.33339%0.392SS..Hα-helixtrans-61.7-37.7175.9-77.9-58.2000112.8S725 E726 K733S725-H729 PolarHBondContact O-CD2 3.26Å; S725-H729 PolarHBondContact O-N 3.2Å; E726-H729 PolarHBondContact O-N 3.12Å; H729-K733 VanDerWaalsContact O-CD 3.32Å; H729-K733 WeakPolarHBondContact O-CD 3.49Å; H729-K733 WeakPolarHBondContact O-CG 3.31Å; H729-K733 PolarHBondContact O-N 3.13Å
730E87.4Confident78Confident131 Ų13182.1 Ų82.161%0.61240%0.396SS*.Hα-helixtrans-64.7-39.7171.7-73.6-167.9159.600112.6E726 W727 W728 K733 N734E726-E730 PolarHBondContact O-N 3.33Å; W727-E730 PolarHBondContact O-N 3.21Å; W728-E730 VanDerWaalsContact C-N 3.34Å; W728-E730 PolarHBondContact O-N 3.36Å; E730-K733 PolarHBondContact O-N 2.91Å; E730-N734 PolarHBondContact O-ND2 3.2Å; E730-N734 VanDerWaalsContact O-ND2 3.1Å
731A83.4Confident76.1Confident14 Ų1488 Ų8812%0.11643%0.434CS..Hα-helixtrans-68.3-42.4-18000000112.3W727 W728 K733 N734 R751W727-A731 VanDerWaalsContact O-CB 3.27Å; W727-A731 WeakPolarHBondContact O-CB 3.37Å; W727-A731 PolarHBondContact O-N 3.41Å; W728-A731 WeakPolarHBondContact O-CB 3.47Å; W728-A731 PolarHBondContact O-N 3.49Å; W728-A731 VanDerWaalsContact O-N 3.1Å; A731-K733 VanDerWaalsContact C-N 3.33Å; A731-K733 PolarHBondContact O-N 3.46Å; A731-N734 PolarHBondContact O-N 3.23Å; A731-R751 HydrophobicContact CB-CG 3.77Å
732Q83.3Confident74.1Confident80 Ų8095.7 Ų95.737%0.37447%0.47SS..Hα-helixtrans-69.4-28176.4-58.8-541.700113.1W728 N734 P735 R751W728-Q732 HydrophobicContact CD2-CG 3.86Å; W728-Q732 VanDerWaalsContact CE2-NE2 3.28Å; W728-Q732 HydrophobicContact CE3-CG 4.11Å; W728-Q732 HydrophobicContact CH2-CG 4.02Å; W728-Q732 HydrophobicContact CZ2-CG 3.76Å; W728-Q732 HydrophobicContact CZ3-CG 4.19Å; W728-Q732 VanDerWaalsContact NE1-NE2 3.11Å; W728-Q732 WeakPolarHBondContact O-CG 3.43Å; W728-Q732 PolarHBondContact O-N 3.4Å; Q732-N734 PolarHBondContact O-N 3.35Å; Q732-P735 WeakPolarHBondContact O-CD 3.23Å; Q732-R751 PolarHBondContact NE2-O 2.95Å
733K82.6Confident72.8Confident157 Ų15794.1 Ų94.168%0.68346%0.461SS*.Hα-helixtrans-69.3-17.7173.4-73.7165.9-172.2170.80113.2H729 E730 A731 P735H729-K733 VanDerWaalsContact O-CD 3.32Å; H729-K733 WeakPolarHBondContact O-CD 3.49Å; H729-K733 WeakPolarHBondContact O-CG 3.31Å; H729-K733 PolarHBondContact O-N 3.13Å; E730-K733 PolarHBondContact O-N 2.91Å; A731-K733 VanDerWaalsContact C-N 3.33Å; A731-K733 PolarHBondContact O-N 3.46Å; K733-P735 VanDerWaalsContact C-CD 3.4Å; K733-P735 WeakPolarHBondContact O-CD 3.49Å
734N67.9Low71.8Confident81 Ų8192.9 Ų92.943%0.43346%0.46SS..  trans-125.249.9-171.3-74.3-69.2000114.8E730 A731 Q732 K736 I737E730-N734 PolarHBondContact O-ND2 3.2Å; E730-N734 VanDerWaalsContact O-ND2 3.1Å; A731-N734 PolarHBondContact O-N 3.23Å; Q732-N734 PolarHBondContact O-N 3.35Å; N734-K736 PolarHBondContact O-N 2.9Å; N734-I737 HydrophobicContact CB-CB 4.34Å; N734-I737 HydrophobicContact CB-CD1 3.77Å; N734-I737 HydrophobicContact CB-CG1 3.96Å; N734-I737 PolarHBondContact O-N 3.26Å; N734-I737 VanDerWaalsContact O-N 3.09Å; N734-I737 WeakPolarHBondContact OD1-CD1 3.46Å
735P61.6Low71.1Confident108 Ų108102.4 Ų102.470%0.70150%0.502SS*.THydrogen-bonded Turntrans-66.2-14.4-174.830.2-36.8000113.7Q732 K733Q732-P735 WeakPolarHBondContact O-CD 3.23Å; K733-P735 VanDerWaalsContact C-CD 3.4Å; K733-P735 WeakPolarHBondContact O-CD 3.49Å
736K50.1Low70.4Confident205 Ų205103.4 Ų103.489%0.89151%0.508SS*.THydrogen-bonded Turntrans-97.2-6179.4-67.3176.8-178.1175.20113.8N734 R738N734-K736 PolarHBondContact O-N 2.9Å; K736-R738 PolarHBondContact O-N 3.04Å
737I51.3Low69.8Low113 Ų11399.4 Ų99.458%0.57949%0.488SS*.SBendtrans-74.7122168.1-64.3-173.8000107.1N734N734-I737 HydrophobicContact CB-CB 4.34Å; N734-I737 HydrophobicContact CB-CD1 3.77Å; N734-I737 HydrophobicContact CB-CG1 3.96Å; N734-I737 PolarHBondContact O-N 3.26Å; N734-I737 VanDerWaalsContact O-N 3.09Å; N734-I737 WeakPolarHBondContact OD1-CD1 3.46Å
738R48Very low69.3Low224 Ų224105.2 Ų105.285%0.84551%0.514SS*.  trans-49.3135.8171.8-69.7-179.3176.2-178.1-1.3108.5K736 N740K736-R738 PolarHBondContact O-N 3.04Å; R738-N740 PolarHBondContact O-N 3.14Å; R738-N740 VanDerWaalsContact O-N 3.11Å
739P53Low69Low94 Ų94107.4 Ų107.461%0.6153%0.525SS*.  trans-43.8125.4174.1-29.735.2000109.7
740N55Low68.9Low86 Ų86104 Ų10446%0.4651%0.509SS..  trans-53.3133.6-174.5178-17.3000107R738 H742 D743R738-N740 PolarHBondContact O-N 3.14Å; R738-N740 VanDerWaalsContact O-N 3.11Å; N740-H742 PolarHBondContact O-N 3.1Å; N740-H742 PolarHBondContact OD1-CD2 2.89Å; N740-H742 PolarHBondContact OD1-N 2.96Å; N740-H742 VanDerWaalsContact OD1-N 3.09Å; N740-D743 HydrophobicContact CB-CB 4.47Å; N740-D743 WeakPolarHBondContact CB-OD2 3.37Å; N740-D743 PolarHBondContact N-OD2 2.95Å; N740-D743 VanDerWaalsContact O-CB 3.31Å; N740-D743 WeakPolarHBondContact O-CB 3.41Å; N740-D743 PolarHBondContact O-N 2.85Å
741P52.7Low68.7Low128 Ų128100.9 Ų100.983%0.83149%0.492SS*.THydrogen-bonded Turntrans-54.7-12177.9-29.336.9000115
742H52Low68.7Low163 Ų163105.6 Ų105.676%0.75552%0.519SS*.THydrogen-bonded Turntrans-103.43174.1-58.4-76000115N740 T744N740-H742 PolarHBondContact O-N 3.1Å; N740-H742 PolarHBondContact OD1-CD2 2.89Å; N740-H742 PolarHBondContact OD1-N 2.96Å; N740-H742 VanDerWaalsContact OD1-N 3.09Å; H742-T744 PolarHBondContact O-N 2.88Å
743D64.7Low68.9Low45 Ų45101.9 Ų101.924%0.24150%0.502CS..  trans-63.6121.5177.2-85.4-36.9000111.1N740 R751N740-D743 HydrophobicContact CB-CB 4.47Å; N740-D743 WeakPolarHBondContact CB-OD2 3.37Å; N740-D743 PolarHBondContact N-OD2 2.95Å; N740-D743 VanDerWaalsContact O-CB 3.31Å; N740-D743 WeakPolarHBondContact O-CB 3.41Å; N740-D743 PolarHBondContact O-N 2.85Å; D743-R751 IonicContact OD1-CZ 3.58Å; D743-R751 IonicContact OD1-NH1 3.66Å; D743-R751 IonicContact OD1-NH2 3.86Å; D743-R751 PolarHBondContact OD1-NH2 2.79Å; D743-R751 IonicContact OD2-CZ 3.72Å; D743-R751 IonicContact OD2-NH1 3.26Å; D743-R751 PolarHBondContact OD2-NH1 3.06Å; D743-R751 IonicContact OD2-NH2 2.65Å; D743-R751 PolarHBondContact OD2-NH2 3.11Å
744T72.1Confident69Low51 Ų51101.8 Ų101.831%0.31350%0.504SS..  trans-67.4154.4174.964.60000110.5E712 H742 V746 K747 K748E712-T744 WeakPolarHBondContact OE2-CG2 3.48Å; E712-T744 PolarHBondContact OE2-OG1 3.41Å; H742-T744 PolarHBondContact O-N 2.88Å; T744-V746 PolarHBondContact O-N 2.81Å; T744-K747 CarbonylContact O-C 3.51Å; T744-K747 WeakPolarHBondContact O-CA 3.43Å; T744-K747 PolarHBondContact O-N 3.45Å; T744-K747 WeakPolarHBondContact OG1-CB 3.32Å; T744-K747 PolarHBondContact OG1-N 2.98Å; T744-K748 PolarHBondContact O-N 3.38Å
745K76.4Confident70Confident199 Ų19998.8 Ų98.887%0.86549%0.488SS*.Hα-helixtrans-56.6-32.3173.1-69.1-169.9177.5-170.20111.8K748 K749K745-K748 PolarHBondContact O-N 2.9Å; K745-K749 PolarHBondContact O-N 2.79Å
746V77.2Confident71.1Confident31 Ų3197.8 Ų97.819%0.18848%0.48CS..Hα-helixtrans-59.8-56170.9178.50000109.8E708 T744 K748 K749 L750E708-V746 HydrophobicContact CB-CG1 4.05Å; E708-V746 HydrophobicContact CB-CG2 4.41Å; E708-V746 HydrophobicContact CG-CG2 4.38Å; T744-V746 PolarHBondContact O-N 2.81Å; V746-K748 PolarHBondContact O-N 3.4Å; V746-K749 PolarHBondContact O-N 2.9Å; V746-L750 HydrophobicContact CG1-CD1 3.73Å; V746-L750 HydrophobicContact CG1-CD2 4.5Å; V746-L750 HydrophobicContact CG1-CG 3.9Å; V746-L750 WeakPolarHBondContact O-CG 3.47Å; V746-L750 PolarHBondContact O-N 3.07Å
747K79.7Confident72.7Confident39 Ų3994.4 Ų94.417%0.1748%0.479CS..Hα-helixtrans-61.3-8.3174.9-80.7176.7164.8145.40115.7E712 W727 T744 R751E712-K747 HydrophobicContact CG-CD 4.08Å; E712-K747 VanDerWaalsContact CG-CE 3.48Å; E712-K747 HydrophobicContact CG-CG 4.05Å; E712-K747 VanDerWaalsContact OE1-CE 3.32Å; E712-K747 WeakPolarHBondContact OE1-CE 3.26Å; E712-K747 IonicContact OE1-NZ 2.88Å; E712-K747 PolarHBondContact OE1-NZ 2.85Å; W727-K747 HydrophobicContact CH2-CB 4.22Å; W727-K747 HydrophobicContact CH2-CG 4.14Å; W727-K747 WeakPolarHBondContact CH2-O 3.45Å; W727-K747 HydrophobicContact CZ2-CB 3.77Å; W727-K747 HydrophobicContact CZ2-CD 4.19Å; W727-K747 HydrophobicContact CZ2-CG 3.64Å; T744-K747 CarbonylContact O-C 3.51Å; T744-K747 WeakPolarHBondContact O-CA 3.43Å; T744-K747 PolarHBondContact O-N 3.45Å; T744-K747 WeakPolarHBondContact OG1-CB 3.32Å; T744-K747 PolarHBondContact OG1-N 2.98Å; K747-R751 PolarHBondContact O-NE 3.46Å; K747-R751 PolarHBondContact O-NH2 3.31Å
748K80.2Confident74.2Confident159 Ų15991.9 Ų91.969%0.69148%0.481SS*.Hα-helixtrans-82.3-48.1162.7-162-169.8178.1-164.80111.8T744 K745 V746 R751T744-K748 PolarHBondContact O-N 3.38Å; K745-K748 PolarHBondContact O-N 2.9Å; V746-K748 PolarHBondContact O-N 3.4Å; K748-R751 PolarHBondContact O-N 3.29Å
749K82.6Confident76.3Confident76 Ų7682 Ų8233%0.3344%0.444SS..Hα-helixtrans-61.8-46.2175.2-172.7-168.5169.5-172.70111.4T700 T705 K745 V746 R751 T752T700-K749 PolarHBondContact O-NZ 3.18Å; T705-K749 HydrophobicContact CG2-CD 4.26Å; T705-K749 PolarHBondContact OG1-NZ 3.41Å; K745-K749 PolarHBondContact O-N 2.79Å; V746-K749 PolarHBondContact O-N 2.9Å; K749-R751 PolarHBondContact O-N 2.88Å; K749-T752 PolarHBondContact O-N 2.83Å; K749-T752 PolarHBondContact O-OG1 3.05Å
750L85.3Confident78.1Confident1 Ų178.1 Ų78.11%0.00542%0.419CS..THydrogen-bonded Turntrans-61.6-16.3-176.1-61.9-173.4000113.8T705 I709 F713 F724 W727 V746 L753T705-L750 HydrophobicContact CG2-CD2 3.89Å; I709-L750 HydrophobicContact CD1-CD2 3.78Å; I709-L750 HydrophobicContact CG1-CD1 3.77Å; I709-L750 HydrophobicContact CG1-CD2 3.44Å; I709-L750 VanDerWaalsContact CG1-CD2 3.44Å; I709-L750 HydrophobicContact CG1-CG 4.26Å; F713-L750 HydrophobicContact CE2-CD1 3.99Å; F724-L750 HydrophobicContact CE2-CB 4.24Å; F724-L750 HydrophobicContact CE2-CD1 4.25Å; W727-L750 HydrophobicContact CH2-CB 3.81Å; W727-L750 HydrophobicContact CZ3-CB 3.69Å; V746-L750 HydrophobicContact CG1-CD1 3.73Å; V746-L750 HydrophobicContact CG1-CD2 4.5Å; V746-L750 HydrophobicContact CG1-CG 3.9Å; V746-L750 WeakPolarHBondContact O-CG 3.47Å; V746-L750 PolarHBondContact O-N 3.07Å; L750-L753 HydrophobicContact CB-CD1 4.45Å; L750-L753 HydrophobicContact CD2-CD1 3.7Å
751R83.1Confident79.9Confident65 Ų6578.1 Ų78.125%0.24542%0.419CS..THydrogen-bonded Turntrans-81.6-16.6178.6-135.8168.7-63.2-153.11.1113.9W727 A731 Q732 D743 K747 K748 K749W727-R751 HydrophobicContact CH2-CB 4.41Å; W727-R751 HydrophobicContact CH2-CG 4.42Å; A731-R751 HydrophobicContact CB-CG 3.77Å; Q732-R751 PolarHBondContact NE2-O 2.95Å; D743-R751 IonicContact OD1-CZ 3.58Å; D743-R751 IonicContact OD1-NH1 3.66Å; D743-R751 IonicContact OD1-NH2 3.86Å; D743-R751 PolarHBondContact OD1-NH2 2.79Å; D743-R751 IonicContact OD2-CZ 3.72Å; D743-R751 IonicContact OD2-NH1 3.26Å; D743-R751 PolarHBondContact OD2-NH1 3.06Å; D743-R751 IonicContact OD2-NH2 2.65Å; D743-R751 PolarHBondContact OD2-NH2 3.11Å; K747-R751 PolarHBondContact O-NE 3.46Å; K747-R751 PolarHBondContact O-NH2 3.31Å; K748-R751 PolarHBondContact O-N 3.29Å; K749-R751 PolarHBondContact O-N 2.88Å
752T84.2Confident81.9Confident112 Ų11276 Ų7669%0.68741%0.405SS*.SBendtrans-97.4-0.1176.666.10000112.9K749K749-T752 PolarHBondContact O-N 2.83Å; K749-T752 PolarHBondContact O-OG1 3.05Å
753L86.3Confident83.9Confident3 Ų370.9 Ų70.92%0.01639%0.391CS..  trans-70.2148.2172.4-61.4177.9000110I698 T700 V701 I709 F724 W728 L750I698-L753 HydrophobicContact CG2-CB 4.36Å; T700-L753 WeakPolarHBondContact OG1-CD2 3.36Å; V701-L753 HydrophobicContact CG2-CD1 3.67Å; V701-L753 HydrophobicContact CG2-CD2 3.58Å; V701-L753 HydrophobicContact CG2-CG 4.26Å; I709-L753 HydrophobicContact CD1-CD1 4.44Å; F724-L753 HydrophobicContact CZ-CD1 4.02Å; W728-L753 WeakPolarHBondContact CZ2-O 3.32Å; W728-L753 PolarHBondContact NE1-O 3.43Å; L750-L753 HydrophobicContact CB-CD1 4.45Å; L750-L753 HydrophobicContact CD2-CD1 3.7Å
754Q85.8Confident85.3Confident154 Ų15469.6 Ų69.672%0.7239%0.385SS*.  trans-100.7125.8171.3-61.6179.86.300108.2
755L88.1Confident86.3Confident18 Ų1867.3 Ų67.39%0.09437%0.371CS..  trans-111.9136.7177.2-85.6175.1000109.8I698 F724 W728 F759I698-L755 HydrophobicContact CD1-CD2 3.47Å; I698-L755 VanDerWaalsContact CD1-CD2 3.47Å; I698-L755 HydrophobicContact CG1-CD2 3.98Å; F724-L755 HydrophobicContact CE1-CD1 4Å; F724-L755 HydrophobicContact CE1-CD2 4.3Å; F724-L755 HydrophobicContact CZ-CD1 4.13Å; W728-L755 HydrophobicContact CB-CD1 3.86Å; W728-L755 HydrophobicContact CD2-CB 4.1Å; W728-L755 HydrophobicContact CD2-CD1 3.71Å; W728-L755 HydrophobicContact CD2-CG 4.24Å; W728-L755 HydrophobicContact CE3-CB 3.95Å; W728-L755 HydrophobicContact CE3-CD1 3.96Å; W728-L755 HydrophobicContact CE3-CG 4.48Å; W728-L755 HydrophobicContact CG-CD1 3.68Å; W728-L755 HydrophobicContact CH2-CB 3.95Å; W728-L755 HydrophobicContact CZ2-CB 4.07Å; W728-L755 HydrophobicContact CZ3-CB 3.87Å; L755-F759 HydrophobicContact CD1-CD1 4.38Å; L755-F759 HydrophobicContact CD2-CB 4.03Å; L755-F759 HydrophobicContact CD2-CD1 3.51Å; L755-F759 HydrophobicContact CD2-CD2 3.96Å; L755-F759 HydrophobicContact CD2-CE1 3.92Å; L755-F759 HydrophobicContact CD2-CE2 4.31Å; L755-F759 HydrophobicContact CD2-CG 3.55Å; L755-F759 HydrophobicContact CD2-CZ 4.3Å
756T85.8Confident87.2Confident88 Ų8862.7 Ų62.754%0.5435%0.353SS..  trans-72.7142.5179.2460000111.2G758 F759T756-G758 PolarHBondContact O-N 3.45Å; T756-G758 VanDerWaalsContact O-N 3.14Å; T756-F759 WeakPolarHBondContact O-CB 3.47Å; T756-F759 PolarHBondContact O-N 3.09Å
757P82.7Confident88.1Confident133 Ų13363.1 Ų63.186%0.86436%0.359SS*.THydrogen-bonded Turntrans-58.6118.5172.9-23.534.3000110.6
758G84.4Confident88.9Confident61 Ų6161.3 Ų61.363%0.62935%0.351SS*.THydrogen-bonded Turntrans101.64.3-174.600000115.3T756 P760 N761T756-G758 PolarHBondContact O-N 3.45Å; T756-G758 VanDerWaalsContact O-N 3.14Å; G758-P760 CarbonylContact O-C 3.17Å; G758-N761 PolarHBondContact O-N 3.12Å
759F90.9Very high89.6Confident17 Ų1757.2 Ų57.28%0.07534%0.337CS..  trans-72.8133.7170.7-176.9-83.3000112.5Y688 L689 I698 L721 F724 S725 L755 T756Y688-F759 HydrophobicContact CD1-CE2 4.32Å; Y688-F759 WeakPolarHBondContact O-CE2 3.32Å; L689-F759 HydrophobicContact CD2-CZ 4.2Å; I698-F759 HydrophobicContact CD1-CE1 4.49Å; I698-F759 HydrophobicContact CD1-CE2 4.11Å; I698-F759 HydrophobicContact CD1-CZ 3.95Å; I698-F759 HydrophobicContact CG1-CE2 4.18Å; L721-F759 HydrophobicContact CB-CE1 4.21Å; L721-F759 HydrophobicContact CD1-CZ 4.27Å; L721-F759 HydrophobicContact CD2-CE1 4.49Å; L721-F759 HydrophobicContact CD2-CZ 4.23Å; F724-F759 HydrophobicContact CD1-CE1 4.19Å; F724-F759 HydrophobicContact CE1-CE1 4.39Å; S725-F759 WeakPolarHBondContact CB-O 3.22Å; S725-F759 PolarHBondContact OG-O 3.41Å; L755-F759 HydrophobicContact CD1-CD1 4.38Å; L755-F759 HydrophobicContact CD2-CB 4.03Å; L755-F759 HydrophobicContact CD2-CD1 3.51Å; L755-F759 HydrophobicContact CD2-CD2 3.96Å; L755-F759 HydrophobicContact CD2-CE1 3.92Å; L755-F759 HydrophobicContact CD2-CE2 4.31Å; L755-F759 HydrophobicContact CD2-CG 3.55Å; L755-F759 HydrophobicContact CD2-CZ 4.3Å; T756-F759 WeakPolarHBondContact O-CB 3.47Å; T756-F759 PolarHBondContact O-N 3.09Å
760P91.4Very high90.2Very high11 Ų1160.4 Ų60.47%0.07135%0.35CS..SBendcis-83.4135-9.333.8-34.6000111.8Y688 L721 L722 G758 P762Y688-P760 HydrophobicContact CD1-CB 4.26Å; Y688-P760 HydrophobicContact CE1-CB 4.1Å; L721-P760 HydrophobicContact CB-CB 4.05Å; L721-P760 HydrophobicContact CB-CG 3.8Å; L721-P760 HydrophobicContact CD1-CB 4.13Å; L722-P760 HydrophobicContact CD2-CG 3.87Å; L722-P760 HydrophobicContact CG-CG 4.25Å; G758-P760 CarbonylContact O-C 3.17Å; P760-P762 WeakPolarHBondContact O-CD 3.42Å
761N93.2Very high90.7Very high86 Ų8661.9 Ų61.946%0.4636%0.36SS..  trans-75.8112.9173.8174.83.8000109.9Y688 G758 A763 V764Y688-N761 WeakPolarHBondContact CE1-O 3.27Å; Y688-N761 PolarHBondContact OH-O 3.4Å; G758-N761 PolarHBondContact O-N 3.12Å; N761-A763 PolarHBondContact O-N 3.08Å; N761-A763 WeakPolarHBondContact OD1-CB 3.33Å; N761-A763 PolarHBondContact OD1-N 2.74Å; N761-A763 VanDerWaalsContact OD1-N 3.14Å; N761-V764 PolarHBondContact O-N 3.43Å
762P93.1Very high91.3Very high83 Ų8362.9 Ų62.954%0.53937%0.374SS..Hα-helixtrans-66.6-20.1-173.128-36.1000114.3L718 P760 V764 A765 E766L718-P762 HydrophobicContact CD1-CB 4.04Å; P760-P762 WeakPolarHBondContact O-CD 3.42Å; P762-V764 PolarHBondContact O-N 2.8Å; P762-A765 PolarHBondContact O-N 3.23Å; P762-E766 PolarHBondContact O-N 3.43Å; P762-E766 VanDerWaalsContact O-N 3.09Å
763A94.1Very high91.9Very high57 Ų5759.5 Ų59.547%0.47135%0.352SS..Hα-helixtrans-61.9-31.2-179.400000113N761 E766 A767N761-A763 PolarHBondContact O-N 3.08Å; N761-A763 WeakPolarHBondContact OD1-CB 3.33Å; N761-A763 PolarHBondContact OD1-N 2.74Å; N761-A763 VanDerWaalsContact OD1-N 3.14Å; A763-E766 PolarHBondContact O-N 3Å; A763-A767 PolarHBondContact O-N 3.26Å
764V94.4Very high92.3Very high17 Ų1763 Ų6310%0.10337%0.371CS..Hα-helixtrans-66.6-43.9177.5173.10000111.1Y688 Y694 T695 N761 P762 E766 A767 Y768Y688-V764 HydrophobicContact CE1-CB 3.9Å; Y688-V764 HydrophobicContact CE1-CG1 4.17Å; Y694-V764 WeakPolarHBondContact O-CG2 3.35Å; T695-V764 HydrophobicContact CG2-CG1 4.13Å; N761-V764 PolarHBondContact O-N 3.43Å; P762-V764 PolarHBondContact O-N 2.8Å; V764-E766 VanDerWaalsContact C-N 3.34Å; V764-A767 PolarHBondContact O-N 3.44Å; V764-Y768 HydrophobicContact CG1-CD2 3.9Å; V764-Y768 HydrophobicContact CG1-CE2 3.61Å; V764-Y768 VanDerWaalsContact O-CD2 3.25Å; V764-Y768 WeakPolarHBondContact O-CD2 3.49Å; V764-Y768 PolarHBondContact O-N 3.14Å; V764-Y768 VanDerWaalsContact O-N 3.1Å
765A94.7Very high92.5Very high4 Ų461.2 Ų61.23%0.03337%0.367CS..Hα-helixtrans-65.2-37.3173.500000112.2I684 Y688 L718 P762 Y768 L769I684-A765 HydrophobicContact CG2-CB 3.92Å; Y688-A765 HydrophobicContact CE2-CB 4.07Å; Y688-A765 WeakPolarHBondContact OH-CB 3.34Å; Y688-A765 PolarHBondContact OH-N 2.86Å; L718-A765 HydrophobicContact CD1-CB 3.94Å; L718-A765 HydrophobicContact CD2-CB 4.08Å; L718-A765 HydrophobicContact CG-CB 4.16Å; P762-A765 PolarHBondContact O-N 3.23Å; A765-Y768 PolarHBondContact O-N 3.33Å; A765-L769 VanDerWaalsContact O-CB 3.23Å; A765-L769 WeakPolarHBondContact O-CB 3.21Å; A765-L769 WeakPolarHBondContact O-CG 3.42Å; A765-L769 PolarHBondContact O-N 3.47Å
766E95.3Very high92.7Very high102 Ų10263.3 Ų63.348%0.47738%0.383SS..Hα-helixtrans-66.7-39.4176.2-174.2147.8-130.500111.9P762 A763 V764 L769 K770P762-E766 PolarHBondContact O-N 3.43Å; P762-E766 VanDerWaalsContact O-N 3.09Å; A763-E766 PolarHBondContact O-N 3Å; V764-E766 VanDerWaalsContact C-N 3.34Å; E766-L769 PolarHBondContact O-N 3.15Å; E766-K770 HydrophobicContact CG-CD 4.17Å; E766-K770 WeakPolarHBondContact O-CA 3.3Å; E766-K770 WeakPolarHBondContact O-CB 3.47Å; E766-K770 PolarHBondContact O-N 3.24Å; E766-K770 WeakPolarHBondContact OE1-CE 3.16Å; E766-K770 IonicContact OE1-NZ 3.21Å; E766-K770 PolarHBondContact OE1-NZ 3.1Å
767A95.2Very high92.9Very high39 Ų3966.6 Ų66.632%0.32239%0.39SS..Hα-helixtrans-60.6-45.4173.200000112.5Y694 A763 V764 P771Y694-A767 HydrophobicContact CD2-CB 3.97Å; Y694-A767 HydrophobicContact CE2-CB 3.93Å; A763-A767 PolarHBondContact O-N 3.26Å; V764-A767 PolarHBondContact O-N 3.44Å; A767-P771 WeakPolarHBondContact O-CA 3.48Å
768Y96.1Very high93Very high1 Ų162.2 Ų62.20%0.00437%0.368CS..Hα-helixtrans-71.2-32.8176.7-71.3-54.4000113.7D644 L647 F648 R680 I684 S692 Y694 V764 A765D644-Y768 HydrophobicContact CB-CE1 4.38Å; D644-Y768 PolarHBondContact OD2-OH 2.97Å; L647-Y768 HydrophobicContact CB-CD1 3.51Å; L647-Y768 HydrophobicContact CB-CD2 4.41Å; L647-Y768 HydrophobicContact CB-CE1 3.99Å; L647-Y768 HydrophobicContact CB-CG 3.78Å; L647-Y768 HydrophobicContact CD1-CD1 3.91Å; L647-Y768 HydrophobicContact CD1-CD2 4.16Å; L647-Y768 HydrophobicContact CD1-CE1 3.52Å; L647-Y768 HydrophobicContact CD1-CE2 3.75Å; L647-Y768 HydrophobicContact CD1-CG 4.24Å; L647-Y768 VanDerWaalsContact CD1-CZ 3.43Å; L647-Y768 HydrophobicContact CG-CD1 4.36Å; L647-Y768 HydrophobicContact CG-CE1 4.39Å; F648-Y768 HydrophobicContact CD1-CD1 4.2Å; F648-Y768 AromaticContact CE1-CD1 3.62Å; F648-Y768 HydrophobicContact CE1-CD1 3.62Å; F648-Y768 HydrophobicContact CE1-CE1 4.3Å; F648-Y768 HydrophobicContact CE2-CD1 4.23Å; F648-Y768 HydrophobicContact CE2-CE1 4.28Å; F648-Y768 AromaticContact CZ-CD1 3.62Å; F648-Y768 HydrophobicContact CZ-CD1 3.62Å; F648-Y768 AromaticContact CZ-CE1 3.83Å; F648-Y768 HydrophobicContact CZ-CE1 3.83Å; R680-Y768 PolarHBondContact NH2-O 2.92Å; I684-Y768 HydrophobicContact CG1-CD2 4.39Å; I684-Y768 HydrophobicContact CG1-CG 4.42Å; S692-Y768 VanDerWaalsContact CB-OH 3.31Å; S692-Y768 WeakPolarHBondContact CB-OH 3.41Å; S692-Y768 PolarHBondContact OG-OH 3.45Å; Y694-Y768 WeakPolarHBondContact CB-OH 3.31Å; Y694-Y768 AromaticContact CD2-CD1 3.93Å; Y694-Y768 HydrophobicContact CD2-CD1 3.93Å; Y694-Y768 HydrophobicContact CD2-CD2 4.27Å; Y694-Y768 AromaticContact CD2-CE1 3.44Å; Y694-Y768 HydrophobicContact CD2-CE1 3.44Å; Y694-Y768 VanDerWaalsContact CD2-CE1 3.44Å; Y694-Y768 AromaticContact CD2-CE2 3.87Å; Y694-Y768 HydrophobicContact CD2-CE2 3.87Å; Y694-Y768 HydrophobicContact CD2-CG 4.3Å; Y694-Y768 AromaticContact CD2-CZ 3.41Å; Y694-Y768 VanDerWaalsContact CD2-CZ 3.41Å; Y694-Y768 AromaticContact CE2-CD1 3.94Å; Y694-Y768 HydrophobicContact CE2-CD1 3.94Å; Y694-Y768 AromaticContact CE2-CE1 3.64Å; Y694-Y768 HydrophobicContact CE2-CE1 3.64Å; Y694-Y768 HydrophobicContact CG-CE1 4.13Å; Y694-Y768 HydrophobicContact CG-CE2 4.31Å; Y694-Y768 AromaticContact CG-CZ 3.76Å; Y694-Y768 PolarHBondContact N-OH 3.41Å; V764-Y768 HydrophobicContact CG1-CD2 3.9Å; V764-Y768 HydrophobicContact CG1-CE2 3.61Å; V764-Y768 VanDerWaalsContact O-CD2 3.25Å; V764-Y768 WeakPolarHBondContact O-CD2 3.49Å; V764-Y768 PolarHBondContact O-N 3.14Å; V764-Y768 VanDerWaalsContact O-N 3.1Å; A765-Y768 PolarHBondContact O-N 3.33Å
769L95.1Very high93.2Very high74 Ų7464.2 Ų64.239%0.38737%0.373SS..Hα-helixtrans-83.2-33.3-179.4-71.8172.5000113.6R680 I684 A765 E766 P771R680-L769 HydrophobicContact CG-CD2 4.43Å; R680-L769 PolarHBondContact NH2-O 3.29Å; I684-L769 HydrophobicContact CD1-CD2 3.64Å; I684-L769 HydrophobicContact CD1-CG 3.72Å; A765-L769 VanDerWaalsContact O-CB 3.23Å; A765-L769 WeakPolarHBondContact O-CB 3.21Å; A765-L769 WeakPolarHBondContact O-CG 3.42Å; A765-L769 PolarHBondContact O-N 3.47Å; E766-L769 PolarHBondContact O-N 3.15Å; L769-P771 VanDerWaalsContact C-CD 3.45Å
770K95.3Very high93.3Very high142 Ų14266 Ų6662%0.61738%0.381SS*.SBendtrans-130.557.7-176.4-55179.8-167.7165.50111.5E766E766-K770 HydrophobicContact CG-CD 4.17Å; E766-K770 WeakPolarHBondContact O-CA 3.3Å; E766-K770 WeakPolarHBondContact O-CB 3.47Å; E766-K770 PolarHBondContact O-N 3.24Å; E766-K770 WeakPolarHBondContact OE1-CE 3.16Å; E766-K770 IonicContact OE1-NZ 3.21Å; E766-K770 PolarHBondContact OE1-NZ 3.1Å
771P96.1Very high93.3Very high32 Ų3272 Ų7221%0.20841%0.411CS..  trans-63.2152.3174.830.9-37.8000111A624 F648 A767 L769 V773A624-P771 HydrophobicContact CB-CB 3.51Å; A624-P771 HydrophobicContact CB-CG 3.74Å; F648-P771 HydrophobicContact CD1-CB 3.96Å; F648-P771 HydrophobicContact CD1-CG 3.86Å; F648-P771 HydrophobicContact CE1-CB 4.01Å; F648-P771 HydrophobicContact CE1-CG 4.41Å; A767-P771 WeakPolarHBondContact O-CA 3.48Å; L769-P771 VanDerWaalsContact C-CD 3.45Å; P771-V773 HydrophobicContact CB-CG1 4.14Å; P771-V773 HydrophobicContact CG-CG1 4.03Å; P771-V773 PolarHBondContact O-N 3.36Å
772V96.2Very high93.3Very high87 Ų8776.7 Ų76.753%0.52742%0.423SS..  trans-80.2106.7173.3-1740000108.7P619 M620P619-V772 HydrophobicContact CB-CG1 4.03Å; M620-V772 HydrophobicContact CG-CB 4.11Å; M620-V772 HydrophobicContact SD-CB 3.77Å; M620-V772 HydrophobicContact SD-CG2 3.66Å
773V95.3Very high93.2Very high40 Ų4075.1 Ų75.124%0.24242%0.422CS..  trans-132.3157.1-176.4-62.70000110.9A624 I628 P771A624-V773 HydrophobicContact CB-CG1 3.66Å; I628-V773 HydrophobicContact CB-CB 4.47Å; I628-V773 HydrophobicContact CB-CG2 4.11Å; I628-V773 HydrophobicContact CG1-CG2 4.14Å; I628-V773 HydrophobicContact CG2-CB 3.91Å; I628-V773 HydrophobicContact CG2-CG1 4.38Å; I628-V773 HydrophobicContact CG2-CG2 4.02Å; P771-V773 HydrophobicContact CB-CG1 4.14Å; P771-V773 HydrophobicContact CG-CG1 4.03Å; P771-V773 PolarHBondContact O-N 3.36Å
774D94.9Very high93.1Very high78 Ų7881 Ų8142%0.41744%0.437SS..  trans-89.4116.3169-174-15.8000108.7P619 Q625 S776P619-D774 HydrophobicContact CG-CB 4.22Å; Q625-D774 PolarHBondContact NE2-O 3.21Å; D774-S776 WeakPolarHBondContact OD1-CB 3.2Å; D774-S776 PolarHBondContact OD1-N 3.47Å; D774-S776 PolarHBondContact OD1-OG 3.48Å; D774-S776 PolarHBondContact OD2-OG 2.95Å
775D90.6Very high93.1Very high116 Ų11681.4 Ų81.462%0.6244%0.44SS*.  trans-95.86.5178.673.9-28.3000113.4I628I628-D775 HydrophobicContact CG1-CB 4.39Å
776S92.3Very high93Very high62 Ų6283.9 Ų83.943%0.43445%0.453SS..  trans-65147-17971.50000112.6Q634 D774 G778Q634-S776 PolarHBondContact NE2-O 3.19Å; Q634-S776 PolarHBondContact OE1-O 3.12Å; D774-S776 WeakPolarHBondContact OD1-CB 3.2Å; D774-S776 PolarHBondContact OD1-N 3.47Å; D774-S776 PolarHBondContact OD1-OG 3.48Å; D774-S776 PolarHBondContact OD2-OG 2.95Å; S776-G778 VanDerWaalsContact C-N 3.31Å; S776-G778 PolarHBondContact O-N 3.44Å
777K88.7Confident92.9Very high157 Ų15781.4 Ų81.468%0.68344%0.442SS*.  trans-93.259.4-178.4-59.5-155.5174.5-1430111.7T632T632-K777 PolarHBondContact O-NZ 3.09Å
778G84.8Confident92.9Very high40 Ų4082.9 Ų82.941%0.41245%0.445SS..  trans-68.7135.4178.700000112.4S776 F780S776-G778 VanDerWaalsContact C-N 3.31Å; S776-G778 PolarHBondContact O-N 3.44Å; G778-F780 PolarHBondContact O-N 2.91Å
779S89.4Confident92.9Very high104 Ų10487.8 Ų87.873%0.72747%0.466SS*.  trans-79.1111.217558.90000111.1
780F93.1Very high92.9Very high55 Ų5584.3 Ų84.324%0.24145%0.448CS..  trans-65.7138.1169.5-57-63.9000111.1P614 I616 L629 Q634 G778 W782P614-F780 HydrophobicContact CG-CB 4.27Å; I616-F780 HydrophobicContact CG2-CE1 3.94Å; L629-F780 HydrophobicContact CD1-CZ 3.97Å; L629-F780 HydrophobicContact CD2-CE2 4.23Å; L629-F780 HydrophobicContact CD2-CZ 3.84Å; Q634-F780 HydrophobicContact CB-CE2 4.28Å; G778-F780 PolarHBondContact O-N 2.91Å; F780-W782 HydrophobicContact CB-CE3 4.41Å; F780-W782 HydrophobicContact CB-CH2 3.54Å; F780-W782 HydrophobicContact CB-CZ2 4.25Å; F780-W782 HydrophobicContact CB-CZ3 3.64Å; F780-W782 HydrophobicContact CG-CH2 4.41Å; F780-W782 WeakPolarHBondContact O-CZ3 3.34Å
781L92.6Very high92.9Very high135 Ų13578.8 Ų78.871%0.70742%0.423SS*.  trans-124.5124.8180-63.3178.2000109.8P614P614-L781 WeakPolarHBondContact CB-O 3.4Å
782W92.4Very high92.9Very high185 Ų18583.8 Ų83.870%0.70144%0.444SS*.  trans-97.2125.1173.9-68.7-98.2000109.8P614 F780P614-W782 VanDerWaalsContact CD-CD1 3.44Å; P614-W782 HydrophobicContact CG-CD2 4.04Å; P614-W782 HydrophobicContact CG-CG 4.26Å; P614-W782 HydrophobicContact CG-CZ2 4.14Å; F780-W782 HydrophobicContact CB-CE3 4.41Å; F780-W782 HydrophobicContact CB-CH2 3.54Å; F780-W782 HydrophobicContact CB-CZ2 4.25Å; F780-W782 HydrophobicContact CB-CZ3 3.64Å; F780-W782 HydrophobicContact CG-CH2 4.41Å; F780-W782 WeakPolarHBondContact O-CZ3 3.34Å
783G91.2Very high92.9Very high51 Ų5180.1 Ų80.153%0.52642%0.421SS..  trans-84.8-161.4173.600000112.6G612G612-G783 PolarHBondContact O-N 3.42Å
784K90.9Very high92.9Very high180 Ų18078.7 Ų78.778%0.78341%0.412SS*.  trans-115.8144.6170.3-64-167.6176-161.90109.7D786K784-D786 PolarHBondContact O-N 3.02Å
785P94.4Very high93Very high26 Ų2679.8 Ų79.817%0.16942%0.415CS..  trans-61.5131176.1-22.632.8000112.7L610 F611 L787 I790 L813 L816L610-P785 CarbonylContact O-C 3.56Å; L610-P785 WeakPolarHBondContact O-CA 3.22Å; F611-P785 HydrophobicContact CD1-CB 4.46Å; F611-P785 HydrophobicContact CD1-CG 4.43Å; P785-L787 PolarHBondContact O-N 3.09Å; P785-I790 HydrophobicContact CB-CD1 3.86Å; P785-L813 HydrophobicContact CB-CD2 4.23Å; P785-L813 HydrophobicContact CG-CD2 4.1Å; P785-L816 HydrophobicContact CG-CD1 3.86Å
786D94Very high93.2Very high56 Ų5683 Ų8330%0.29942%0.418SS..  trans-88.294176.8-169.6-43.6000110.4L610 K784 D788 K789 I790L610-D786 PolarHBondContact O-N 3.19Å; K784-D786 PolarHBondContact O-N 3.02Å; D786-D788 VanDerWaalsContact C-N 3.35Å; D786-D788 PolarHBondContact O-N 3.45Å; D786-K789 HydrophobicContact CB-CB 4.18Å; D786-K789 HydrophobicContact CB-CG 4.49Å; D786-K789 PolarHBondContact O-N 2.79Å; D786-K789 WeakPolarHBondContact OD1-CG 3.42Å; D786-K789 PolarHBondContact OD1-N 3.47Å; D786-K789 VanDerWaalsContact OD1-N 3.12Å; D786-K789 IonicContact OD2-NZ 2.76Å; D786-K789 PolarHBondContact OD2-NZ 3.16Å; D786-I790 VanDerWaalsContact O-CG1 3.22Å; D786-I790 WeakPolarHBondContact O-CG1 3.21Å; D786-I790 PolarHBondContact O-N 2.93Å
787L93Very high93.3Very high49 Ų4983.2 Ų83.226%0.25741%0.41SS..Hα-helixtrans-50.2-48.3-173.9-96.7173.6000114.1P785 R791 L809 L813P785-L787 PolarHBondContact O-N 3.09Å; L787-R791 WeakPolarHBondContact O-CD 3.5Å; L787-R791 WeakPolarHBondContact O-CG 3.49Å; L787-R791 PolarHBondContact O-N 3.15Å; L787-L809 HydrophobicContact CD2-CB 4.24Å; L787-L809 HydrophobicContact CD2-CD1 3.8Å; L787-L813 HydrophobicContact CD1-CD1 3.82Å; L787-L813 HydrophobicContact CD2-CD1 3.62Å; L787-L813 HydrophobicContact CG-CD1 3.72Å
788D94.4Very high93.5Very high71 Ų7180.9 Ų80.938%0.3840%0.4SS..Hα-helixtrans-78.7-34.6-173.3-74.2-61.6000112.2D786 R791 E792 R802D786-D788 VanDerWaalsContact C-N 3.35Å; D786-D788 PolarHBondContact O-N 3.45Å; D788-R791 VanDerWaalsContact CG-NH1 3.34Å; D788-R791 WeakPolarHBondContact O-CB 3.4Å; D788-R791 PolarHBondContact O-N 3.21Å; D788-R791 WeakPolarHBondContact OD1-CD 3.48Å; D788-R791 IonicContact OD1-CZ 2.67Å; D788-R791 IonicContact OD1-NE 2.86Å; D788-R791 IonicContact OD1-NH1 3.27Å; D788-R791 PolarHBondContact OD1-NH1 3Å; D788-R791 IonicContact OD2-NH1 2.7Å; D788-R791 PolarHBondContact OD2-NH1 3.34Å; D788-E792 WeakPolarHBondContact O-CG 3.39Å; D788-E792 PolarHBondContact O-N 3.37Å; D788-R802 IonicContact OD1-CZ 3.45Å; D788-R802 VanDerWaalsContact OD1-CZ 3.23Å; D788-R802 IonicContact OD1-NH1 2.66Å; D788-R802 PolarHBondContact OD1-NH1 3.41Å; D788-R802 IonicContact OD1-NH2 3.54Å; D788-R802 PolarHBondContact OD1-NH2 3.08Å
789K95.6Very high94Very high104 Ų10481.5 Ų81.545%0.45241%0.407SS..Hα-helixtrans-66.8-37.3169.7-66.1-168.8-171.879.50112.9L610 D786 R791 E792 F793L610-K789 HydrophobicContact CD1-CB 4.14Å; L610-K789 HydrophobicContact CD2-CB 3.52Å; L610-K789 HydrophobicContact CD2-CD 3.65Å; L610-K789 HydrophobicContact CD2-CG 4.24Å; L610-K789 HydrophobicContact CG-CB 4.39Å; D786-K789 HydrophobicContact CB-CB 4.18Å; D786-K789 HydrophobicContact CB-CG 4.49Å; D786-K789 PolarHBondContact O-N 2.79Å; D786-K789 WeakPolarHBondContact OD1-CG 3.42Å; D786-K789 PolarHBondContact OD1-N 3.47Å; D786-K789 VanDerWaalsContact OD1-N 3.12Å; D786-K789 IonicContact OD2-NZ 2.76Å; D786-K789 PolarHBondContact OD2-NZ 3.16Å; K789-R791 VanDerWaalsContact C-N 3.33Å; K789-E792 PolarHBondContact O-N 2.9Å; K789-F793 WeakPolarHBondContact O-CB 3.18Å; K789-F793 PolarHBondContact O-N 3.25Å
790I95.9Very high94.3Very high1 Ų180 Ų801%0.00539%0.385CS..Hα-helixtrans-65.9-38.3175.2-61.2162.3000110.3L610 F611 P785 D786 F793 C794 T805 L809L610-I790 HydrophobicContact CB-CG1 3.77Å; L610-I790 HydrophobicContact CD1-CG1 4.49Å; F611-I790 HydrophobicContact CD1-CD1 4.41Å; F611-I790 HydrophobicContact CD2-CD1 3.94Å; F611-I790 HydrophobicContact CD2-CG1 4.3Å; F611-I790 HydrophobicContact CE1-CD1 4.39Å; F611-I790 HydrophobicContact CE2-CD1 3.91Å; F611-I790 HydrophobicContact CE2-CG1 4.2Å; F611-I790 HydrophobicContact CE2-CG2 4.03Å; F611-I790 HydrophobicContact CG-CD1 4.21Å; F611-I790 HydrophobicContact CZ-CD1 4.15Å; F611-I790 HydrophobicContact CZ-CG2 4.34Å; P785-I790 HydrophobicContact CB-CD1 3.86Å; D786-I790 VanDerWaalsContact O-CG1 3.22Å; D786-I790 WeakPolarHBondContact O-CG1 3.21Å; D786-I790 PolarHBondContact O-N 2.93Å; I790-F793 PolarHBondContact O-N 3.41Å; I790-C794 WeakPolarHBondContact O-CB 3.32Å; I790-C794 PolarHBondContact O-N 3.48Å; I790-C794 PolarHBondContact O-SG 3.43Å; I790-C794 VanDerWaalsContact O-SG 3.36Å; I790-T805 HydrophobicContact CG2-CG2 4.39Å; I790-L809 HydrophobicContact CB-CD1 4.04Å; I790-L809 HydrophobicContact CD1-CD1 4.4Å; I790-L809 HydrophobicContact CG2-CD1 3.71Å; I790-L809 HydrophobicContact CG2-CD2 4.21Å
791R95Very high94.4Very high25 Ų2581.2 Ų81.29%0.09439%0.394CS..Hα-helixtrans-60.6-44.1172.1-71.2160.2175149.5-1.7112.1L787 D788 K789 Q795 R802 T805 D806L787-R791 WeakPolarHBondContact O-CD 3.5Å; L787-R791 WeakPolarHBondContact O-CG 3.49Å; L787-R791 PolarHBondContact O-N 3.15Å; D788-R791 VanDerWaalsContact CG-NH1 3.34Å; D788-R791 WeakPolarHBondContact O-CB 3.4Å; D788-R791 PolarHBondContact O-N 3.21Å; D788-R791 WeakPolarHBondContact OD1-CD 3.48Å; D788-R791 IonicContact OD1-CZ 2.67Å; D788-R791 IonicContact OD1-NE 2.86Å; D788-R791 IonicContact OD1-NH1 3.27Å; D788-R791 PolarHBondContact OD1-NH1 3Å; D788-R791 IonicContact OD2-NH1 2.7Å; D788-R791 PolarHBondContact OD2-NH1 3.34Å; K789-R791 VanDerWaalsContact C-N 3.33Å; R791-Q795 WeakPolarHBondContact O-CB 3.44Å; R791-Q795 PolarHBondContact O-N 2.89Å; R791-R802 HydrophobicContact CG-CG 4.47Å; R791-T805 HydrophobicContact CG-CG2 4.08Å; R791-D806 IonicContact CZ-OD1 2.85Å; R791-D806 IonicContact CZ-OD2 2.57Å; R791-D806 IonicContact NE-OD1 3.84Å; R791-D806 PolarHBondContact NE-OD1 3.44Å; R791-D806 IonicContact NE-OD2 3.23Å; R791-D806 IonicContact NH2-OD1 2.7Å; R791-D806 PolarHBondContact NH2-OD1 2.96Å; R791-D806 IonicContact NH2-OD2 3.4Å; R791-D806 PolarHBondContact NH2-OD2 3.48Å
792E96.1Very high94.5Very high137 Ų13781.2 Ų81.264%0.6439%0.385SS*.Hα-helixtrans-62.2-43.5174.9-72.8173-172.500111.9D788 K789 Q795 R796D788-E792 WeakPolarHBondContact O-CG 3.39Å; D788-E792 PolarHBondContact O-N 3.37Å; K789-E792 PolarHBondContact O-N 2.9Å; E792-Q795 PolarHBondContact O-N 3.16Å; E792-R796 VanDerWaalsContact O-CB 3.28Å; E792-R796 WeakPolarHBondContact O-CB 3.48Å; E792-R796 PolarHBondContact O-N 2.82Å
793F96.1Very high94.6Very high11 Ų1176.3 Ų76.35%0.04838%0.376CS..Hα-helixtrans-60.9-52.1175.5-171.9-79.6000111.8E606 L607 L610 K789 I790 Q795 R796 Y797 F798E606-F793 HydrophobicContact CB-CE2 4.2Å; E606-F793 HydrophobicContact CG-CD2 4.2Å; E606-F793 HydrophobicContact CG-CE2 4.13Å; L607-F793 HydrophobicContact CB-CE1 4.38Å; L607-F793 HydrophobicContact CB-CE2 4.42Å; L607-F793 HydrophobicContact CB-CZ 4.05Å; L607-F793 HydrophobicContact CD1-CD1 3.85Å; L607-F793 HydrophobicContact CD1-CE1 3.8Å; L607-F793 HydrophobicContact CD1-CG 4.39Å; L607-F793 HydrophobicContact CD1-CZ 4.27Å; L607-F793 HydrophobicContact CD2-CE1 4.35Å; L607-F793 HydrophobicContact CG-CE1 4.41Å; L610-F793 HydrophobicContact CD1-CB 3.8Å; L610-F793 HydrophobicContact CD1-CD2 3.97Å; L610-F793 HydrophobicContact CD1-CG 4.13Å; K789-F793 WeakPolarHBondContact O-CB 3.18Å; K789-F793 PolarHBondContact O-N 3.25Å; I790-F793 PolarHBondContact O-N 3.41Å; F793-Q795 VanDerWaalsContact C-N 3.29Å; F793-Q795 PolarHBondContact O-N 2.94Å; F793-R796 PolarHBondContact O-N 3.43Å; F793-R796 VanDerWaalsContact O-N 3.16Å; F793-Y797 AromaticContact CD1-CD2 3.8Å; F793-Y797 HydrophobicContact CD1-CD2 3.8Å; F793-Y797 AromaticContact CD2-CD2 3.67Å; F793-Y797 HydrophobicContact CD2-CD2 3.67Å; F793-Y797 AromaticContact CD2-CE2 3.62Å; F793-Y797 HydrophobicContact CD2-CE2 3.62Å; F793-Y797 AromaticContact CE1-CD2 3.71Å; F793-Y797 HydrophobicContact CE1-CD2 3.71Å; F793-Y797 HydrophobicContact CE1-CE2 4.41Å; F793-Y797 HydrophobicContact CE1-CG 4.21Å; F793-Y797 AromaticContact CE2-CD2 3.59Å; F793-Y797 HydrophobicContact CE2-CD2 3.59Å; F793-Y797 AromaticContact CE2-CE2 3.44Å; F793-Y797 HydrophobicContact CE2-CE2 3.44Å; F793-Y797 VanDerWaalsContact CE2-CE2 3.44Å; F793-Y797 AromaticContact CG-CD2 3.78Å; F793-Y797 HydrophobicContact CG-CD2 3.78Å; F793-Y797 HydrophobicContact CG-CE2 4.2Å; F793-Y797 AromaticContact CZ-CD2 3.6Å; F793-Y797 HydrophobicContact CZ-CD2 3.6Å; F793-Y797 AromaticContact CZ-CE2 3.87Å; F793-Y797 HydrophobicContact CZ-CE2 3.87Å; F793-Y797 HydrophobicContact CZ-CG 4.23Å; F793-Y797 WeakPolarHBondContact O-CD2 3.45Å; F793-Y797 PolarHBondContact O-N 2.88Å; F793-F798 HydrophobicContact CD1-CE2 4.47Å; F793-F798 HydrophobicContact CE1-CE2 4.32Å; F793-F798 HydrophobicContact CE1-CZ 4.11Å
794C95.9Very high94.8Very high9 Ų978.3 Ų78.36%0.06137%0.37CS..Hα-helixtrans-64.9-32.4179.3-67.80000112.6I790 F798 G799 W800 T805I790-C794 WeakPolarHBondContact O-CB 3.32Å; I790-C794 PolarHBondContact O-N 3.48Å; I790-C794 PolarHBondContact O-SG 3.43Å; I790-C794 VanDerWaalsContact O-SG 3.36Å; C794-F798 HydrophobicContact CB-CD2 4.05Å; C794-F798 CarbonylContact O-C 3.53Å; C794-F798 WeakPolarHBondContact O-CA 3.5Å; C794-F798 WeakPolarHBondContact O-CB 3.44Å; C794-F798 PolarHBondContact O-N 3.48Å; C794-G799 PolarHBondContact O-N 3.45Å; C794-G799 VanDerWaalsContact O-N 3.15Å; C794-W800 HydrophobicContact CB-CB 4.2Å; C794-W800 HydrophobicContact CB-CE3 4.36Å; C794-W800 PolarHBondContact O-N 3.29Å; C794-T805 HydrophobicContact CB-CG2 3.94Å
795Q95.9Very high95Very high101 Ų10169.8 Ų69.847%0.47233%0.333SS..Hα-helixtrans-70.1-37.3173.3-177.36094.300112.3R791 E792 F793 G799 W800R791-Q795 WeakPolarHBondContact O-CB 3.44Å; R791-Q795 PolarHBondContact O-N 2.89Å; E792-Q795 PolarHBondContact O-N 3.16Å; F793-Q795 VanDerWaalsContact C-N 3.29Å; F793-Q795 PolarHBondContact O-N 2.94Å; Q795-G799 WeakPolarHBondContact O-CA 3.41Å; Q795-G799 PolarHBondContact O-N 2.92Å; Q795-W800 VanDerWaalsContact CA-O 3.23Å; Q795-W800 WeakPolarHBondContact CA-O 3.26Å; Q795-W800 WeakPolarHBondContact CB-O 3.38Å; Q795-W800 VanDerWaalsContact CD-O 3.28Å; Q795-W800 PolarHBondContact OE1-O 3.41Å
796R95.9Very high95Very high184 Ų18469.6 Ų69.669%0.69433%0.331SS*.Hα-helixtrans-74.6-47.8179.2-179.2179178.5-171.4-3.2113.2E792 F793E792-R796 VanDerWaalsContact O-CB 3.28Å; E792-R796 WeakPolarHBondContact O-CB 3.48Å; E792-R796 PolarHBondContact O-N 2.82Å; F793-R796 PolarHBondContact O-N 3.43Å; F793-R796 VanDerWaalsContact O-N 3.16Å
797Y93.9Very high95Very high66 Ų6673.2 Ų73.226%0.25935%0.346SS..Hα-helixtrans-93.4-33.4-171.3-71.7-75000113.9E603 F793E603-Y797 HydrophobicContact CG-CE1 4.08Å; E603-Y797 WeakPolarHBondContact OE1-CE1 3.3Å; F793-Y797 AromaticContact CD1-CD2 3.8Å; F793-Y797 HydrophobicContact CD1-CD2 3.8Å; F793-Y797 AromaticContact CD2-CD2 3.67Å; F793-Y797 HydrophobicContact CD2-CD2 3.67Å; F793-Y797 AromaticContact CD2-CE2 3.62Å; F793-Y797 HydrophobicContact CD2-CE2 3.62Å; F793-Y797 AromaticContact CE1-CD2 3.71Å; F793-Y797 HydrophobicContact CE1-CD2 3.71Å; F793-Y797 HydrophobicContact CE1-CE2 4.41Å; F793-Y797 HydrophobicContact CE1-CG 4.21Å; F793-Y797 AromaticContact CE2-CD2 3.59Å; F793-Y797 HydrophobicContact CE2-CD2 3.59Å; F793-Y797 AromaticContact CE2-CE2 3.44Å; F793-Y797 HydrophobicContact CE2-CE2 3.44Å; F793-Y797 VanDerWaalsContact CE2-CE2 3.44Å; F793-Y797 AromaticContact CG-CD2 3.78Å; F793-Y797 HydrophobicContact CG-CD2 3.78Å; F793-Y797 HydrophobicContact CG-CE2 4.2Å; F793-Y797 AromaticContact CZ-CD2 3.6Å; F793-Y797 HydrophobicContact CZ-CD2 3.6Å; F793-Y797 AromaticContact CZ-CE2 3.87Å; F793-Y797 HydrophobicContact CZ-CE2 3.87Å; F793-Y797 HydrophobicContact CZ-CG 4.23Å; F793-Y797 WeakPolarHBondContact O-CD2 3.45Å; F793-Y797 PolarHBondContact O-N 2.88Å
798F93.8Very high95.1Very high108 Ų10873.6 Ų73.647%0.47435%0.353SS..SBendtrans-112.7-4.9-176.4-45.4-43.6000113.5F793 C794 W800F793-F798 HydrophobicContact CD1-CE2 4.47Å; F793-F798 HydrophobicContact CE1-CE2 4.32Å; F793-F798 HydrophobicContact CE1-CZ 4.11Å; C794-F798 HydrophobicContact CB-CD2 4.05Å; C794-F798 CarbonylContact O-C 3.53Å; C794-F798 WeakPolarHBondContact O-CA 3.5Å; C794-F798 WeakPolarHBondContact O-CB 3.44Å; C794-F798 PolarHBondContact O-N 3.48Å; F798-W800 VanDerWaalsContact CB-CD1 3.46Å; F798-W800 HydrophobicContact CB-CD2 4.23Å; F798-W800 HydrophobicContact CB-CG 3.93Å; F798-W800 HydrophobicContact CD2-CD2 4.46Å; F798-W800 PolarHBondContact O-N 2.78Å
799G94.1Very high95Very high54 Ų5470.8 Ų70.856%0.55734%0.337SS*.  trans67.216.6-174.100000114C794 Q795C794-G799 PolarHBondContact O-N 3.45Å; C794-G799 VanDerWaalsContact O-N 3.15Å; Q795-G799 WeakPolarHBondContact O-CA 3.41Å; Q795-G799 PolarHBondContact O-N 2.92Å
800W96.6Very high94.9Very high71 Ų7171 Ų7127%0.26934%0.338SS..  trans-77.7133.8-176.2-67.311000111.3C794 Q795 F798 K804C794-W800 HydrophobicContact CB-CB 4.2Å; C794-W800 HydrophobicContact CB-CE3 4.36Å; C794-W800 PolarHBondContact O-N 3.29Å; Q795-W800 VanDerWaalsContact CA-O 3.23Å; Q795-W800 WeakPolarHBondContact CA-O 3.26Å; Q795-W800 WeakPolarHBondContact CB-O 3.38Å; Q795-W800 VanDerWaalsContact CD-O 3.28Å; Q795-W800 PolarHBondContact OE1-O 3.41Å; F798-W800 VanDerWaalsContact CB-CD1 3.46Å; F798-W800 HydrophobicContact CB-CD2 4.23Å; F798-W800 HydrophobicContact CB-CG 3.93Å; F798-W800 HydrophobicContact CD2-CD2 4.46Å; F798-W800 PolarHBondContact O-N 2.78Å; W800-K804 HydrophobicContact CB-CD 4.33Å; W800-K804 HydrophobicContact CD2-CD 3.86Å; W800-K804 HydrophobicContact CD2-CG 4.07Å; W800-K804 HydrophobicContact CE3-CD 4.41Å; W800-K804 HydrophobicContact CE3-CG 4.12Å; W800-K804 HydrophobicContact CG-CD 3.77Å; W800-K804 HydrophobicContact CG-CG 4.27Å; W800-K804 VanDerWaalsContact NE1-NZ 3.11Å
801N94.5Very high94.7Very high82 Ų8274.5 Ų74.544%0.43936%0.362SS..  trans-71.7170.3169.765.73.5000111.3T803 K804 T805N801-T803 VanDerWaalsContact C-N 3.31Å; N801-T803 PolarHBondContact ND2-OG1 3.47Å; N801-T803 PolarHBondContact O-N 3.28Å; N801-T803 PolarHBondContact OD1-OG1 3.3Å; N801-K804 PolarHBondContact O-N 2.88Å; N801-K804 WeakPolarHBondContact OD1-CB 3.49Å; N801-K804 PolarHBondContact OD1-N 2.54Å; N801-T805 PolarHBondContact O-N 3.25Å; N801-T805 PolarHBondContact O-OG1 3.22Å
802R94.9Very high94.5Very high134 Ų13476.4 Ų76.451%0.50638%0.376SS..Hα-helixtrans-57-41.7179.4-69.4176.768.594.1-2.6112.2D788 R791 T805 D806D788-R802 IonicContact OD1-CZ 3.45Å; D788-R802 VanDerWaalsContact OD1-CZ 3.23Å; D788-R802 IonicContact OD1-NH1 2.66Å; D788-R802 PolarHBondContact OD1-NH1 3.41Å; D788-R802 IonicContact OD1-NH2 3.54Å; D788-R802 PolarHBondContact OD1-NH2 3.08Å; R791-R802 HydrophobicContact CG-CG 4.47Å; R802-T805 PolarHBondContact O-N 2.72Å; R802-D806 VanDerWaalsContact O-CB 3.29Å; R802-D806 WeakPolarHBondContact O-CB 3.3Å; R802-D806 PolarHBondContact O-N 3.49Å
803T94.4Very high94.1Very high83 Ų8371.3 Ų71.351%0.50935%0.353SS..Hα-helixtrans-64.8-47.3-177.161.30000112.8N801 T805 D806 E807N801-T803 VanDerWaalsContact C-N 3.31Å; N801-T803 PolarHBondContact ND2-OG1 3.47Å; N801-T803 PolarHBondContact O-N 3.28Å; N801-T803 PolarHBondContact OD1-OG1 3.3Å; T803-T805 VanDerWaalsContact C-N 3.27Å; T803-T805 PolarHBondContact O-N 3.12Å; T803-D806 PolarHBondContact O-N 3.07Å; T803-D806 VanDerWaalsContact O-N 3.14Å; T803-E807 VanDerWaalsContact O-CG 3.28Å; T803-E807 WeakPolarHBondContact O-CG 3.4Å; T803-E807 PolarHBondContact O-N 3.46Å
804K95.1Very high93.8Very high92 Ų9278.5 Ų78.540%0.438%0.384SS..Hα-helixtrans-64.3-33.3178.2-175.1179.6177.6-169.70112.7W800 N801 S808W800-K804 HydrophobicContact CB-CD 4.33Å; W800-K804 HydrophobicContact CD2-CD 3.86Å; W800-K804 HydrophobicContact CD2-CG 4.07Å; W800-K804 HydrophobicContact CE3-CD 4.41Å; W800-K804 HydrophobicContact CE3-CG 4.12Å; W800-K804 HydrophobicContact CG-CD 3.77Å; W800-K804 HydrophobicContact CG-CG 4.27Å; W800-K804 VanDerWaalsContact NE1-NZ 3.11Å; N801-K804 PolarHBondContact O-N 2.88Å; N801-K804 WeakPolarHBondContact OD1-CB 3.49Å; N801-K804 PolarHBondContact OD1-N 2.54Å; K804-S808 PolarHBondContact O-OG 2.86Å; K804-S808 VanDerWaalsContact O-OG 3.09Å
805T94.9Very high93.4Very high2 Ų283.3 Ų83.31%0.01241%0.405CS..Hα-helixtrans-68.3-46.3173.2-48.90000110.3I790 R791 C794 N801 R802 T803 E807 S808 L809I790-T805 HydrophobicContact CG2-CG2 4.39Å; R791-T805 HydrophobicContact CG-CG2 4.08Å; C794-T805 HydrophobicContact CB-CG2 3.94Å; N801-T805 PolarHBondContact O-N 3.25Å; N801-T805 PolarHBondContact O-OG1 3.22Å; R802-T805 PolarHBondContact O-N 2.72Å; T803-T805 VanDerWaalsContact C-N 3.27Å; T803-T805 PolarHBondContact O-N 3.12Å; T805-E807 PolarHBondContact O-N 3.07Å; T805-S808 WeakPolarHBondContact O-CA 3.25Å; T805-S808 WeakPolarHBondContact O-CB 3.45Å; T805-S808 PolarHBondContact O-N 3.44Å; T805-L809 HydrophobicContact CG2-CD1 3.75Å; T805-L809 HydrophobicContact CG2-CG 4.22Å; T805-L809 WeakPolarHBondContact O-CG 3.42Å; T805-L809 PolarHBondContact O-N 3.05Å
806D94.5Very high92.8Very high22 Ų2282.6 Ų82.612%0.11841%0.405CS..Hα-helixtrans-64.5-38.4179.6-74.9-1.6000113.1R791 R802 T803 S808 L809 F810R791-D806 IonicContact CZ-OD1 2.85Å; R791-D806 IonicContact CZ-OD2 2.57Å; R791-D806 IonicContact NE-OD1 3.84Å; R791-D806 PolarHBondContact NE-OD1 3.44Å; R791-D806 IonicContact NE-OD2 3.23Å; R791-D806 IonicContact NH2-OD1 2.7Å; R791-D806 PolarHBondContact NH2-OD1 2.96Å; R791-D806 IonicContact NH2-OD2 3.4Å; R791-D806 PolarHBondContact NH2-OD2 3.48Å; R802-D806 VanDerWaalsContact O-CB 3.29Å; R802-D806 WeakPolarHBondContact O-CB 3.3Å; R802-D806 PolarHBondContact O-N 3.49Å; T803-D806 PolarHBondContact O-N 3.07Å; T803-D806 VanDerWaalsContact O-N 3.14Å; D806-S808 PolarHBondContact O-N 3.3Å; D806-L809 PolarHBondContact O-N 3.33Å; D806-F810 HydrophobicContact CB-CD2 4.09Å; D806-F810 HydrophobicContact CB-CE1 4.17Å; D806-F810 HydrophobicContact CB-CE2 3.64Å; D806-F810 HydrophobicContact CB-CZ 3.67Å; D806-F810 WeakPolarHBondContact O-CB 3.27Å; D806-F810 WeakPolarHBondContact O-CD2 3.39Å; D806-F810 VanDerWaalsContact O-CG 3.25Å; D806-F810 WeakPolarHBondContact O-CG 3.46Å; D806-F810 PolarHBondContact O-N 2.89Å
807E95.6Very high92.3Very high131 Ų13179.1 Ų79.161%0.61240%0.4SS*.Hα-helixtrans-53.6-34.2169.8-75.5159-145.400112.3T803 T805 P811T803-E807 VanDerWaalsContact O-CG 3.28Å; T803-E807 WeakPolarHBondContact O-CG 3.4Å; T803-E807 PolarHBondContact O-N 3.46Å; T805-E807 PolarHBondContact O-N 3.07Å; E807-P811 VanDerWaalsContact O-CD 3.26Å; E807-P811 WeakPolarHBondContact O-CD 3.25Å; E807-P811 WeakPolarHBondContact O-CG 3.42Å
808S93.3Very high91.7Very high58 Ų5879.8 Ų79.841%0.40642%0.419SS..Hα-helixtrans-86.3-35.2179.2-53.40000112.8K804 T805 D806K804-S808 PolarHBondContact O-OG 2.86Å; K804-S808 VanDerWaalsContact O-OG 3.09Å; T805-S808 WeakPolarHBondContact O-CA 3.25Å; T805-S808 WeakPolarHBondContact O-CB 3.45Å; T805-S808 PolarHBondContact O-N 3.44Å; D806-S808 PolarHBondContact O-N 3.3Å
809L92.9Very high90.2Very high11 Ų1178.2 Ų78.26%0.05841%0.413CS..Hα-helixtrans-88.2-35.6-174.4-65.6-179.4000114.2F611 L787 I790 T805 D806 V812 L813F611-L809 HydrophobicContact CE1-CD2 3.8Å; F611-L809 HydrophobicContact CZ-CD2 3.55Å; L787-L809 HydrophobicContact CD2-CB 4.24Å; L787-L809 HydrophobicContact CD2-CD1 3.8Å; I790-L809 HydrophobicContact CB-CD1 4.04Å; I790-L809 HydrophobicContact CD1-CD1 4.4Å; I790-L809 HydrophobicContact CG2-CD1 3.71Å; I790-L809 HydrophobicContact CG2-CD2 4.21Å; T805-L809 HydrophobicContact CG2-CD1 3.75Å; T805-L809 HydrophobicContact CG2-CG 4.22Å; T805-L809 WeakPolarHBondContact O-CG 3.42Å; T805-L809 PolarHBondContact O-N 3.05Å; D806-L809 PolarHBondContact O-N 3.33Å; L809-V812 WeakPolarHBondContact O-CB 3.48Å; L809-V812 PolarHBondContact O-N 3.46Å; L809-L813 PolarHBondContact O-N 3.35Å
810F93Very high88.5Confident108 Ų10883.9 Ų83.947%0.47443%0.425SS..Hα-helixtrans-60.5-37.2-179.1-67.4-22.1000114.1D806 V812 K814D806-F810 HydrophobicContact CB-CD2 4.09Å; D806-F810 HydrophobicContact CB-CE1 4.17Å; D806-F810 HydrophobicContact CB-CE2 3.64Å; D806-F810 HydrophobicContact CB-CZ 3.67Å; D806-F810 WeakPolarHBondContact O-CB 3.27Å; D806-F810 WeakPolarHBondContact O-CD2 3.39Å; D806-F810 VanDerWaalsContact O-CG 3.25Å; D806-F810 WeakPolarHBondContact O-CG 3.46Å; D806-F810 PolarHBondContact O-N 2.89Å; F810-V812 VanDerWaalsContact C-N 3.31Å; F810-V812 PolarHBondContact O-N 3.1Å; F810-K814 WeakPolarHBondContact O-CB 3.46Å; F810-K814 PolarHBondContact O-N 3.25Å
811P92.4Very high86.9Confident76 Ų7686.1 Ų86.149%0.49445%0.446SS..Hα-helixtrans-60.4-39.2171.3-24.735.4000113E807 Q815E807-P811 VanDerWaalsContact O-CD 3.26Å; E807-P811 WeakPolarHBondContact O-CD 3.25Å; E807-P811 WeakPolarHBondContact O-CG 3.42Å; P811-Q815 WeakPolarHBondContact O-CG 3.37Å; P811-Q815 PolarHBondContact O-N 3.03Å
812V90.3Very high85.4Confident64 Ų6486.2 Ų86.239%0.38845%0.445SS..Hα-helixtrans-70.1-50.7180-1790000110.6L809 F810 K814 Q815 L816L809-V812 WeakPolarHBondContact O-CB 3.48Å; L809-V812 PolarHBondContact O-N 3.46Å; F810-V812 VanDerWaalsContact C-N 3.31Å; F810-V812 PolarHBondContact O-N 3.1Å; V812-K814 VanDerWaalsContact C-N 3.34Å; V812-K814 PolarHBondContact O-N 2.98Å; V812-Q815 PolarHBondContact O-N 3.31Å; V812-Q815 VanDerWaalsContact O-N 3.08Å; V812-L816 HydrophobicContact CG1-CD1 4.1Å; V812-L816 HydrophobicContact CG1-CG 4.46Å; V812-L816 WeakPolarHBondContact O-CG 3.43Å; V812-L816 PolarHBondContact O-N 2.99Å
813L88.5Confident84.2Confident31 Ų3186 Ų8616%0.16245%0.452CS..Hα-helixtrans-60.2-43.2178.9-70.7169.1000111.9P785 L787 L809 Q815 L816 D817P785-L813 HydrophobicContact CB-CD2 4.23Å; P785-L813 HydrophobicContact CG-CD2 4.1Å; L787-L813 HydrophobicContact CD1-CD1 3.82Å; L787-L813 HydrophobicContact CD2-CD1 3.62Å; L787-L813 HydrophobicContact CG-CD1 3.72Å; L809-L813 PolarHBondContact O-N 3.35Å; L813-Q815 PolarHBondContact O-N 3.08Å; L813-L816 PolarHBondContact O-N 3.13Å; L813-L816 VanDerWaalsContact O-N 3.1Å; L813-D817 PolarHBondContact O-N 2.88Å
814K90Very high83.2Confident162 Ų16289.9 Ų89.970%0.70446%0.458SS*.Hα-helixtrans-59.1-32.5175.7-176.9175.8179.1178.70112.9F810 V812 A818F810-K814 WeakPolarHBondContact O-CB 3.46Å; F810-K814 PolarHBondContact O-N 3.25Å; V812-K814 VanDerWaalsContact C-N 3.34Å; V812-K814 PolarHBondContact O-N 2.98Å; K814-A818 WeakPolarHBondContact O-CB 3.36Å; K814-A818 PolarHBondContact O-N 2.85Å
815Q86Confident82.4Confident109 Ų10987.5 Ų87.551%0.50945%0.449SS..Hα-helixtrans-76.2-43.1173.3-65.8-68.72.200111.6P811 V812 L813 D817 A818 Q819P811-Q815 WeakPolarHBondContact O-CG 3.37Å; P811-Q815 PolarHBondContact O-N 3.03Å; V812-Q815 PolarHBondContact O-N 3.31Å; V812-Q815 VanDerWaalsContact O-N 3.08Å; L813-Q815 PolarHBondContact O-N 3.08Å; Q815-D817 PolarHBondContact O-N 2.94Å; Q815-A818 PolarHBondContact O-N 3.37Å; Q815-Q819 VanDerWaalsContact O-CB 3.26Å; Q815-Q819 WeakPolarHBondContact O-CB 3.31Å; Q815-Q819 WeakPolarHBondContact O-CG 3.09Å; Q815-Q819 PolarHBondContact O-N 3.43Å
816L84.9Confident81.3Confident87 Ų8790.4 Ų90.446%0.45547%0.465SS..Hα-helixtrans-61.1-42.3177.8-68173.3000112.6P785 V812 L813 Q819P785-L816 HydrophobicContact CG-CD1 3.86Å; V812-L816 HydrophobicContact CG1-CD1 4.1Å; V812-L816 HydrophobicContact CG1-CG 4.46Å; V812-L816 WeakPolarHBondContact O-CG 3.43Å; V812-L816 PolarHBondContact O-N 2.99Å; L813-L816 PolarHBondContact O-N 3.13Å; L813-L816 VanDerWaalsContact O-N 3.1Å; L816-Q819 CarbonylContact O-C 3.6Å
817D83.8Confident80.3Confident110 Ų11093.4 Ų93.459%0.58849%0.487SS*.Hα-helixtrans-71.1-30.7177.5-71.6-38.9000112.4L813 Q815L813-D817 PolarHBondContact O-N 2.88Å; Q815-D817 PolarHBondContact O-N 2.94Å
818A81.9Confident79.2Confident80 Ų8092.8 Ų92.866%0.66148%0.483SS*.Hα-helixtrans-81.6-29176.300000113.5K814 Q815K814-A818 WeakPolarHBondContact O-CB 3.36Å; K814-A818 PolarHBondContact O-N 2.85Å; Q815-A818 PolarHBondContact O-N 3.37Å
819Q63.6Low78.4Confident76 Ų7693.9 Ų93.936%0.35548%0.48SS..  trans-113.960-176.2-60.4-170.6-27.400111.4Q815 L816 T821 Q822Q815-Q819 VanDerWaalsContact O-CB 3.26Å; Q815-Q819 WeakPolarHBondContact O-CB 3.31Å; Q815-Q819 WeakPolarHBondContact O-CG 3.09Å; Q815-Q819 PolarHBondContact O-N 3.43Å; L816-Q819 CarbonylContact O-C 3.6Å; Q819-T821 PolarHBondContact O-N 3.05Å; Q819-Q822 PolarHBondContact O-N 3.07Å
820Q58.2Low77.4Confident173 Ų173104.8 Ų104.881%0.80852%0.521SS*.THydrogen-bonded Turntrans-55.3-20.1179.8-68.2-169.5-800114.4
821T61.1Low76.2Confident117 Ų117105.6 Ų105.672%0.71853%0.529SS*.THydrogen-bonded Turntrans-139.384.6164.753.50000111Q819 L823Q819-T821 PolarHBondContact O-N 3.05Å; T821-L823 PolarHBondContact O-N 3.36Å
822Q63.4Low75Confident85 Ų85104.9 Ų104.940%0.39753%0.53SS..  trans-60.5119.4156.717549.760.300108.2Q819 R824Q819-Q822 PolarHBondContact O-N 3.07Å; Q822-R824 PolarHBondContact NE2-O 3.13Å
823L71.3Confident73.3Confident128 Ų128109.1 Ų109.167%0.6755%0.545SS*.  trans-80.2-156.3177-59.5179.3000109.9T821T821-L823 PolarHBondContact O-N 3.36Å
824R71.4Confident71.5Confident165 Ų165115.7 Ų115.762%0.62358%0.575SS**  trans-53.5149.7177.6-74-173173.6167.1-0.5112.5Q822 D826 S827Q822-R824 PolarHBondContact NE2-O 3.13Å; R824-D826 PolarHBondContact O-N 2.85Å; R824-S827 WeakPolarHBondContact O-CA 3.45Å; R824-S827 WeakPolarHBondContact O-CB 3.29Å; R824-S827 PolarHBondContact O-N 3.33Å
825I78.6Confident69.5Low43 Ų43113.9 Ų113.922%0.22157%0.569CS.*Hα-helixtrans-53.9-36.2175.8-171.8164.2000112.2Y654 F657 S827 F828 F829Y654-I825 HydrophobicContact CD1-CD1 4.11Å; Y654-I825 HydrophobicContact CE1-CD1 4.15Å; Y654-I825 HydrophobicContact CE1-CG1 4.41Å; Y654-I825 HydrophobicContact CE1-CG2 3.74Å; Y654-I825 HydrophobicContact CE2-CG2 4.16Å; Y654-I825 HydrophobicContact CG-CD1 4.33Å; Y654-I825 VanDerWaalsContact CZ-CG2 3.44Å; Y654-I825 WeakPolarHBondContact OH-CG2 3.27Å; F657-I825 HydrophobicContact CE2-CD1 4.22Å; I825-S827 PolarHBondContact O-N 2.8Å; I825-S827 VanDerWaalsContact O-N 3.16Å; I825-F828 PolarHBondContact O-N 3.18Å; I825-F829 HydrophobicContact CD1-CD2 4.33Å; I825-F829 HydrophobicContact CD1-CE2 4.09Å; I825-F829 HydrophobicContact CG1-CD2 3.56Å; I825-F829 HydrophobicContact CG1-CE2 3.71Å; I825-F829 PolarHBondContact O-N 2.83Å
826D72.4Confident67.8Low63 Ų63115.2 Ų115.234%0.33757%0.574SS.*Hα-helixtrans-61.7-19173.1-38.8-54.4000114.4R824R824-D826 PolarHBondContact O-N 2.85Å
827S73Confident66.1Low85 Ų85119 Ų11959%0.59459%0.589SS**Hα-helixtrans-88.5-19.9176-52.60000112.3R824 I825R824-S827 WeakPolarHBondContact O-CA 3.45Å; R824-S827 WeakPolarHBondContact O-CB 3.29Å; R824-S827 PolarHBondContact O-N 3.33Å; I825-S827 PolarHBondContact O-N 2.8Å; I825-S827 VanDerWaalsContact O-N 3.16Å
828F73.4Confident64.4Low117 Ų117118.7 Ų118.751%0.51359%0.587SS.*Hα-helixtrans-87-51.8173.2-173.4-94.5000110.8I825 R830I825-F828 PolarHBondContact O-N 3.18Å; F828-R830 PolarHBondContact O-N 3.48Å
829F75.3Confident62.9Low81 Ų81118.6 Ų118.636%0.35559%0.586SS.*SBendtrans-86.3112.7178.8-65.1-79.1000111F657 V664 I825 L831F657-F829 HydrophobicContact CE2-CE2 4.04Å; F657-F829 HydrophobicContact CE2-CZ 4Å; F657-F829 HydrophobicContact CZ-CZ 4.38Å; V664-F829 HydrophobicContact CG2-CE1 4.21Å; V664-F829 HydrophobicContact CG2-CZ 4.3Å; I825-F829 HydrophobicContact CD1-CD2 4.33Å; I825-F829 HydrophobicContact CD1-CE2 4.09Å; I825-F829 HydrophobicContact CG1-CD2 3.56Å; I825-F829 HydrophobicContact CG1-CE2 3.71Å; I825-F829 PolarHBondContact O-N 2.83Å; F829-L831 PolarHBondContact O-N 2.72Å
830R71.8Confident62.3Low241 Ų241121.1 Ų121.191%0.90960%0.596SS**  trans-67.6115.5167.6-84.5-177.1-83.2-147.6-6.8109.7F828 A832F828-R830 PolarHBondContact O-N 3.48Å; R830-A832 PolarHBondContact O-N 3.06Å
831L69.8Low62.3Low125 Ų125122 Ų12265%0.65459%0.592SS**  trans-51.4107.6172.6-69.2172.5000110.8Y666 F829 Q833Y666-L831 HydrophobicContact CD1-CD2 4.35Å; F829-L831 PolarHBondContact O-N 2.72Å; L831-Q833 PolarHBondContact O-N 3.38Å; L831-Q833 VanDerWaalsContact O-N 3.17Å
832A66.1Low62.6Low61 Ų61118.3 Ų118.350%0.50457%0.567SS.*  trans-67.4111.4172.100000108.6F663 R830 Q834F663-A832 HydrophobicContact CD1-CB 4.37Å; F663-A832 HydrophobicContact CE1-CB 4.27Å; R830-A832 PolarHBondContact O-N 3.06Å; A832-Q834 PolarHBondContact O-N 3.49Å
833Q55.7Low63.2Low153 Ų153124.4 Ų124.472%0.71559%0.593SS**  trans-77.54.8-179.1-61.6-171-5.900113.8L831L831-Q833 PolarHBondContact O-N 3.38Å; L831-Q833 VanDerWaalsContact O-N 3.17Å
834Q49.7Very low63.6Low168 Ų168120.4 Ų120.479%0.78558%0.575SS**THydrogen-bonded Turntrans-55.2147.3170.4-137.7108.7-1400109.7A832 K836A832-Q834 PolarHBondContact O-N 3.49Å; Q834-K836 VanDerWaalsContact C-N 3.32Å; Q834-K836 PolarHBondContact O-N 2.89Å
835E48.4Very low64.1Low124 Ų124119.1 Ų119.158%0.57958%0.576SS**THydrogen-bonded Turntrans63.617.6176.5-56.2-163.6-17100118E837 D838 A839E835-E837 PolarHBondContact O-N 3.43Å; E835-D838 HydrophobicContact CB-CB 4.14Å; E835-D838 HydrophobicContact CG-CB 4.17Å; E835-D838 PolarHBondContact O-N 2.88Å; E835-A839 WeakPolarHBondContact O-CB 3.41Å; E835-A839 PolarHBondContact O-N 3.49Å
836K49.7Very low64.2Low138 Ų138123.4 Ų123.460%0.659%0.59SS**THydrogen-bonded Turntrans-61.4-3.7164-99.1-173.8179.5-179.30114.7Q834 K840Q834-K836 VanDerWaalsContact C-N 3.32Å; Q834-K836 PolarHBondContact O-N 2.89Å; K836-K840 WeakPolarHBondContact O-CD 3.34Å; K836-K840 VanDerWaalsContact O-CE 3.25Å; K836-K840 WeakPolarHBondContact O-CE 3.41Å; K836-K840 PolarHBondContact O-NZ 2.65Å
837E49.1Very low64.7Low165 Ų165122.4 Ų122.477%0.77158%0.584SS**THydrogen-bonded Turntrans-108.8-44.4169.7-57.1-154141.500112.3E835E835-E837 PolarHBondContact O-N 3.43Å
838D47.7Very low65.1Low105 Ų105121.2 Ų121.256%0.56157%0.571SS**THydrogen-bonded Turntrans-72.7-41.8-176.2-58.9-77.2000113.8E835 K840 R841E835-D838 HydrophobicContact CB-CB 4.14Å; E835-D838 HydrophobicContact CG-CB 4.17Å; E835-D838 PolarHBondContact O-N 2.88Å; D838-K840 PolarHBondContact O-N 3.14Å; D838-R841 WeakPolarHBondContact O-CB 3.49Å; D838-R841 PolarHBondContact O-N 3.28Å
839A50.6Low65.6Low77 Ų77123.3 Ų123.364%0.63658%0.576SS**THydrogen-bonded Turntrans-61.8-29.4177.900000112.7E835 R841E835-A839 WeakPolarHBondContact O-CB 3.41Å; E835-A839 PolarHBondContact O-N 3.49Å; A839-R841 PolarHBondContact O-N 2.83Å
840K52Low65.8Low129 Ų129120 Ų12056%0.56156%0.563SS**THydrogen-bonded Turntrans-73-15.2174.4-67178.2-176.3142.40113.2K836 D838 I842K836-K840 WeakPolarHBondContact O-CD 3.34Å; K836-K840 VanDerWaalsContact O-CE 3.25Å; K836-K840 WeakPolarHBondContact O-CE 3.41Å; K836-K840 PolarHBondContact O-NZ 2.65Å; D838-K840 PolarHBondContact O-N 3.14Å; K840-I842 PolarHBondContact O-N 3.06Å
841R58.1Low66.4Low191 Ų191108.8 Ų108.872%0.72152%0.521SS*.SBendtrans-99.778.2-167.8-159.6168.8-166.5-95.12.9111.3D838 A839 K843D838-R841 WeakPolarHBondContact O-CB 3.49Å; D838-R841 PolarHBondContact O-N 3.28Å; A839-R841 PolarHBondContact O-N 2.83Å; R841-K843 PolarHBondContact O-N 2.93Å
842I68.1Low67.1Low40 Ų40106.7 Ų106.721%0.20551%0.514CS..  trans-41.7106.5171-58.2170.9000109.8L676 K840 S844 L847 N848 V851L676-I842 HydrophobicContact CD2-CD1 3.76Å; L676-I842 HydrophobicContact CD2-CG1 4.33Å; K840-I842 PolarHBondContact O-N 3.06Å; I842-S844 VanDerWaalsContact C-N 3.27Å; I842-S844 PolarHBondContact O-N 3.43Å; I842-L847 HydrophobicContact CG2-CB 3.78Å; I842-L847 HydrophobicContact CG2-CD2 3.81Å; I842-L847 HydrophobicContact CG2-CG 3.76Å; I842-N848 HydrophobicContact CB-CB 4.06Å; I842-N848 HydrophobicContact CD1-CB 4.47Å; I842-N848 HydrophobicContact CG2-CB 4.1Å; I842-V851 HydrophobicContact CD1-CB 4.13Å; I842-V851 HydrophobicContact CD1-CG1 4.15Å; I842-V851 HydrophobicContact CD1-CG2 4.08Å
843K75.3Confident67.8Low214 Ų214106.9 Ų106.993%0.9351%0.511SS*.SBendtrans-59.4-37.5-168.6-62.5-179.5-179.5178.90112.2R841R841-K843 PolarHBondContact O-N 2.93Å
844S79.7Confident69.2Low44 Ų44100.1 Ų100.131%0.30848%0.48SS..  trans-80.8117.4176.4174.70000112.4I842 R846 L847 N848I842-S844 VanDerWaalsContact C-N 3.27Å; I842-S844 PolarHBondContact O-N 3.43Å; S844-R846 PolarHBondContact O-N 3.02Å; S844-R846 PolarHBondContact OG-N 2.94Å; S844-L847 PolarHBondContact O-N 2.76Å; S844-L847 PolarHBondContact OG-N 2.7Å; S844-N848 WeakPolarHBondContact O-CB 3.43Å; S844-N848 PolarHBondContact O-N 2.7Å
845Q81.6Confident70.8Confident138 Ų13893.9 Ų93.965%0.64545%0.451SS*.Hα-helixtrans-59.7-27.6173-66-168.82600113.5R849Q845-R849 WeakPolarHBondContact O-CD 3.47Å; Q845-R849 WeakPolarHBondContact O-CG 3.21Å; Q845-R849 PolarHBondContact O-N 2.98Å; Q845-R849 VanDerWaalsContact O-N 3.16Å; Q845-R849 VanDerWaalsContact OE1-NH2 3.12Å
846R81.4Confident72.5Confident132 Ų13295.7 Ų95.750%0.49845%0.453SS..Hα-helixtrans-69.9-49.5175.7-78.4176.263.4-175.40.5110.7V704 E708 S844 N848 R849 A850V704-R846 HydrophobicContact CG1-CB 3.69Å; E708-R846 IonicContact OE1-CZ 3.88Å; E708-R846 VanDerWaalsContact OE1-CZ 3.27Å; E708-R846 IonicContact OE1-NE 3.4Å; E708-R846 PolarHBondContact OE1-NE 3.09Å; E708-R846 IonicContact OE1-NH2 2.76Å; E708-R846 PolarHBondContact OE1-NH2 2.83Å; E708-R846 IonicContact OE2-CZ 2.95Å; E708-R846 IonicContact OE2-NH2 3.06Å; E708-R846 PolarHBondContact OE2-NH2 3.31Å; S844-R846 PolarHBondContact O-N 3.02Å; S844-R846 PolarHBondContact OG-N 2.94Å; R846-N848 VanDerWaalsContact C-N 3.33Å; R846-N848 PolarHBondContact O-N 3.16Å; R846-R849 PolarHBondContact O-N 3.12Å; R846-A850 PolarHBondContact O-N 3.18Å
847L81.8Confident74.1Confident42 Ų4293.5 Ų93.522%0.2244%0.443CS..Hα-helixtrans-62-42.5178.8-173.958.7000111.2V704 M707 I842 S844 R849 A850 V851V704-L847 HydrophobicContact CG2-CB 4.41Å; M707-L847 HydrophobicContact CB-CD1 3.59Å; M707-L847 HydrophobicContact CG-CD1 3.71Å; I842-L847 HydrophobicContact CG2-CB 3.78Å; I842-L847 HydrophobicContact CG2-CD2 3.81Å; I842-L847 HydrophobicContact CG2-CG 3.76Å; S844-L847 PolarHBondContact O-N 2.76Å; S844-L847 PolarHBondContact OG-N 2.7Å; L847-R849 PolarHBondContact O-N 3.24Å; L847-A850 PolarHBondContact O-N 2.96Å; L847-A850 VanDerWaalsContact O-N 3.16Å; L847-V851 HydrophobicContact CD1-CG2 4.49Å; L847-V851 WeakPolarHBondContact O-CG2 3.39Å; L847-V851 PolarHBondContact O-N 2.83Å
848N82.6Confident75.6Confident61 Ų6188.5 Ų88.533%0.32642%0.42SS..Hα-helixtrans-60.1-42.6175.9-167.8-48.8000112.2I842 S844 R846 T852I842-N848 HydrophobicContact CB-CB 4.06Å; I842-N848 HydrophobicContact CD1-CB 4.47Å; I842-N848 HydrophobicContact CG2-CB 4.1Å; S844-N848 WeakPolarHBondContact O-CB 3.43Å; S844-N848 PolarHBondContact O-N 2.7Å; R846-N848 VanDerWaalsContact C-N 3.33Å; R846-N848 PolarHBondContact O-N 3.16Å; N848-T852 VanDerWaalsContact O-CB 3.29Å; N848-T852 WeakPolarHBondContact O-CB 3.29Å; N848-T852 PolarHBondContact O-N 2.83Å; N848-T852 PolarHBondContact O-OG1 2.92Å; N848-T852 PolarHBondContact OD1-OG1 3.27Å
849R83Confident77.3Confident161 Ų16190.7 Ų90.761%0.60842%0.424SS*.Hα-helixtrans-64.5-40.4173.6-71.8170.4-160.8-170.99.2112.3Q845 R846 L847 C853Q845-R849 WeakPolarHBondContact O-CD 3.47Å; Q845-R849 WeakPolarHBondContact O-CG 3.21Å; Q845-R849 PolarHBondContact O-N 2.98Å; Q845-R849 VanDerWaalsContact O-N 3.16Å; Q845-R849 VanDerWaalsContact OE1-NH2 3.12Å; R846-R849 PolarHBondContact O-N 3.12Å; L847-R849 PolarHBondContact O-N 3.24Å; R849-C853 WeakPolarHBondContact O-CB 3.4Å; R849-C853 PolarHBondContact O-N 3.12Å; R849-C853 PolarHBondContact O-SG 2.9Å
850A80.7Confident79Confident10 Ų1091.3 Ų91.38%0.08341%0.414CS..Hα-helixtrans-64.2-49.1177.200000111.4M707 N711 R846 L847 T852 C853 M854M707-A850 HydrophobicContact CB-CB 4.36Å; M707-A850 HydrophobicContact CG-CB 3.72Å; N711-A850 VanDerWaalsContact CG-O 3.32Å; N711-A850 PolarHBondContact ND2-O 2.68Å; N711-A850 PolarHBondContact OD1-O 2.89Å; R846-A850 PolarHBondContact O-N 3.18Å; L847-A850 PolarHBondContact O-N 2.96Å; L847-A850 VanDerWaalsContact O-N 3.16Å; A850-T852 PolarHBondContact O-N 3.23Å; A850-C853 PolarHBondContact O-N 3.47Å; A850-M854 PolarHBondContact O-N 3.32Å
851V83.8Confident80.4Confident6 Ų687.9 Ų87.94%0.03641%0.41CS..Hα-helixtrans-59-46.3174.7167.80000111.5L676 M707 I842 L847 C853 M854 L855L676-V851 HydrophobicContact CD2-CG1 4.21Å; L676-V851 HydrophobicContact CD2-CG2 4.22Å; M707-V851 HydrophobicContact CG-CG2 4.33Å; M707-V851 HydrophobicContact SD-CG2 4.08Å; I842-V851 HydrophobicContact CD1-CB 4.13Å; I842-V851 HydrophobicContact CD1-CG1 4.15Å; I842-V851 HydrophobicContact CD1-CG2 4.08Å; L847-V851 HydrophobicContact CD1-CG2 4.49Å; L847-V851 WeakPolarHBondContact O-CG2 3.39Å; L847-V851 PolarHBondContact O-N 2.83Å; V851-C853 VanDerWaalsContact C-N 3.29Å; V851-C853 PolarHBondContact O-N 2.72Å; V851-M854 PolarHBondContact O-N 2.65Å; V851-M854 VanDerWaalsContact O-N 3.17Å; V851-L855 HydrophobicContact CG1-CD1 3.78Å; V851-L855 HydrophobicContact CG1-CG 4.37Å; V851-L855 WeakPolarHBondContact O-CB 3Å; V851-L855 WeakPolarHBondContact O-CG 3.19Å; V851-L855 PolarHBondContact O-N 2.99Å
852T83.5Confident81.5Confident81 Ų8180.9 Ų80.950%0.49739%0.393SS..Hα-helixtrans-61.4-36.6176.9-58.80000112.3N848 A850 R856N848-T852 VanDerWaalsContact O-CB 3.29Å; N848-T852 WeakPolarHBondContact O-CB 3.29Å; N848-T852 PolarHBondContact O-N 2.83Å; N848-T852 PolarHBondContact O-OG1 2.92Å; N848-T852 PolarHBondContact OD1-OG1 3.27Å; A850-T852 PolarHBondContact O-N 3.23Å; T852-R856 WeakPolarHBondContact O-CB 3.18Å; T852-R856 PolarHBondContact O-N 3.36Å
853C82.2Confident82.3Confident66 Ų6681.6 Ų81.645%0.44641%0.405SS..Hα-helixtrans-69.4-40.5174.7-70.60000112N711 R849 A850 V851 R856 K857N711-C853 WeakPolarHBondContact OD1-CB 3.32Å; R849-C853 WeakPolarHBondContact O-CB 3.4Å; R849-C853 PolarHBondContact O-N 3.12Å; R849-C853 PolarHBondContact O-SG 2.9Å; A850-C853 PolarHBondContact O-N 3.47Å; V851-C853 VanDerWaalsContact C-N 3.29Å; V851-C853 PolarHBondContact O-N 2.72Å; C853-R856 PolarHBondContact O-N 2.96Å; C853-K857 WeakPolarHBondContact O-CG 3.26Å; C853-K857 PolarHBondContact O-N 3.32Å
854M83.6Confident82.7Confident11 Ų1174.8 Ų74.85%0.05438%0.384CS..Hα-helixtrans-65.5-53.8177.9-170.9172.864.300111.3L676 G677 L678 K682 M707 N711 A850 V851 R856 K857 E858L676-M854 WeakPolarHBondContact O-CE 3.41Å; G677-M854 WeakPolarHBondContact O-CE 3.38Å; L678-M854 HydrophobicContact CD2-CE 4.18Å; K682-M854 HydrophobicContact CD-CE 4.19Å; K682-M854 HydrophobicContact CD-SD 3.76Å; M707-M854 HydrophobicContact CE-CE 3.56Å; M707-M854 HydrophobicContact CE-SD 3.45Å; M707-M854 WeakPolarHBondContact CE-SD 3.11Å; M707-M854 HydrophobicContact SD-CE 4.3Å; N711-M854 PolarHBondContact OD1-N 2.91Å; N711-M854 VanDerWaalsContact OD1-N 3.13Å; A850-M854 PolarHBondContact O-N 3.32Å; V851-M854 PolarHBondContact O-N 2.65Å; V851-M854 VanDerWaalsContact O-N 3.17Å; M854-R856 PolarHBondContact O-N 3.31Å; M854-R856 VanDerWaalsContact O-N 3.07Å; M854-K857 CarbonylContact O-C 3.57Å; M854-K857 WeakPolarHBondContact O-CA 3.42Å; M854-K857 WeakPolarHBondContact O-CB 3.33Å; M854-K857 PolarHBondContact O-N 3.36Å; M854-E858 HydrophobicContact CG-CG 4.34Å; M854-E858 WeakPolarHBondContact O-CG 3.29Å; M854-E858 PolarHBondContact O-N 2.91Å
855L84.3Confident82.9Confident37 Ų3778.6 Ų78.619%0.19440%0.397CS..Hα-helixtrans-56.6-28.3177.3-74.6171000113.1V851 K859V851-L855 HydrophobicContact CG1-CD1 3.78Å; V851-L855 HydrophobicContact CG1-CG 4.37Å; V851-L855 WeakPolarHBondContact O-CB 3Å; V851-L855 WeakPolarHBondContact O-CG 3.19Å; V851-L855 PolarHBondContact O-N 2.99Å; L855-K859 VanDerWaalsContact O-CD 3.32Å; L855-K859 WeakPolarHBondContact O-CD 3.45Å; L855-K859 VanDerWaalsContact O-CG 3.27Å; L855-K859 WeakPolarHBondContact O-CG 3.41Å; L855-K859 PolarHBondContact O-N 3.32Å
856R83.9Confident82.9Confident161 Ų16177.9 Ų77.961%0.60840%0.396SS*.Hα-helixtrans-73.2-51.2170.9177.5179.8171149.19.5111.6T852 C853 M854 E858 K859 E860T852-R856 WeakPolarHBondContact O-CB 3.18Å; T852-R856 PolarHBondContact O-N 3.36Å; C853-R856 PolarHBondContact O-N 2.96Å; M854-R856 PolarHBondContact O-N 3.31Å; M854-R856 VanDerWaalsContact O-N 3.07Å; R856-E858 VanDerWaalsContact C-N 3.25Å; R856-E858 PolarHBondContact O-N 2.78Å; R856-K859 PolarHBondContact O-N 2.89Å; R856-K859 VanDerWaalsContact O-N 3.14Å; R856-E860 HydrophobicContact CG-CG 4.42Å; R856-E860 IonicContact CZ-OE1 2.79Å; R856-E860 IonicContact NE-OE1 3.82Å; R856-E860 PolarHBondContact NE-OE1 3Å; R856-E860 IonicContact NE-OE2 3.13Å; R856-E860 IonicContact NH2-OE1 2.8Å; R856-E860 PolarHBondContact NH2-OE1 2.96Å; R856-E860 WeakPolarHBondContact O-CG 3.41Å; R856-E860 PolarHBondContact O-N 2.86Å
857K82.4Confident83.1Confident92 Ų9277.7 Ų77.740%0.440%0.401SS..Hα-helixtrans-57.5-38.7178.4-76.9-179.2175-166.20112N711 C853 M854 E860 A861N711-K857 PolarHBondContact O-NZ 3.13Å; C853-K857 WeakPolarHBondContact O-CG 3.26Å; C853-K857 PolarHBondContact O-N 3.32Å; M854-K857 CarbonylContact O-C 3.57Å; M854-K857 WeakPolarHBondContact O-CA 3.42Å; M854-K857 WeakPolarHBondContact O-CB 3.33Å; M854-K857 PolarHBondContact O-N 3.36Å; K857-E860 PolarHBondContact O-N 3.2Å; K857-A861 VanDerWaalsContact O-CB 3.25Å; K857-A861 WeakPolarHBondContact O-CB 3.35Å; K857-A861 PolarHBondContact O-N 3.21Å
858E81.7Confident83.2Confident61 Ų6178.5 Ų78.529%0.28541%0.414SS..Hα-helixtrans-64.1-42.8175.8-70179101.900112.2K682 M854 R856 E860 A861 A862K682-E858 IonicContact NZ-OE1 3.63Å; K682-E858 PolarHBondContact NZ-OE1 2.93Å; K682-E858 IonicContact NZ-OE2 3.92Å; K682-E858 PolarHBondContact NZ-OE2 2.83Å; M854-E858 HydrophobicContact CG-CG 4.34Å; M854-E858 WeakPolarHBondContact O-CG 3.29Å; M854-E858 PolarHBondContact O-N 2.91Å; R856-E858 VanDerWaalsContact C-N 3.25Å; R856-E858 PolarHBondContact O-N 2.78Å; E858-E860 VanDerWaalsContact C-N 3.35Å; E858-A861 PolarHBondContact O-N 2.67Å; E858-A862 VanDerWaalsContact O-CB 3.29Å; E858-A862 WeakPolarHBondContact O-CB 3.22Å; E858-A862 PolarHBondContact O-N 3.26Å
859K83.5Confident83.3Confident150 Ų15079.9 Ų79.965%0.65242%0.424SS*.Hα-helixtrans-68.4-35.1176.5-71.2169.3-172.31760112L855 R856 A863L855-K859 VanDerWaalsContact O-CD 3.32Å; L855-K859 WeakPolarHBondContact O-CD 3.45Å; L855-K859 VanDerWaalsContact O-CG 3.27Å; L855-K859 WeakPolarHBondContact O-CG 3.41Å; L855-K859 PolarHBondContact O-N 3.32Å; R856-K859 PolarHBondContact O-N 2.89Å; R856-K859 VanDerWaalsContact O-N 3.14Å; K859-A863 WeakPolarHBondContact O-CB 3.25Å; K859-A863 PolarHBondContact O-N 2.68Å; K859-A863 VanDerWaalsContact O-N 3.08Å
860E85.3Confident83.4Confident91 Ų9174.8 Ų74.843%0.42541%0.413SS..Hα-helixtrans-69.9-37.8173.2-70.7173.2160.900111.7R856 K857 E858 S864R856-E860 HydrophobicContact CG-CG 4.42Å; R856-E860 IonicContact CZ-OE1 2.79Å; R856-E860 IonicContact NE-OE1 3.82Å; R856-E860 PolarHBondContact NE-OE1 3Å; R856-E860 IonicContact NE-OE2 3.13Å; R856-E860 IonicContact NH2-OE1 2.8Å; R856-E860 PolarHBondContact NH2-OE1 2.96Å; R856-E860 WeakPolarHBondContact O-CG 3.41Å; R856-E860 PolarHBondContact O-N 2.86Å; K857-E860 PolarHBondContact O-N 3.2Å; E858-E860 VanDerWaalsContact C-N 3.35Å; E860-S864 WeakPolarHBondContact O-CB 3.27Å; E860-S864 PolarHBondContact O-N 2.91Å; E860-S864 VanDerWaalsContact O-N 3.08Å; E860-S864 PolarHBondContact O-OG 3.23Å
861A81Confident83.6Confident56 Ų5676.9 Ų76.946%0.46343%0.425SS..Hα-helixtrans-69.7-50.6175.800000112.3K857 E858 A863 S864 E865K857-A861 VanDerWaalsContact O-CB 3.25Å; K857-A861 WeakPolarHBondContact O-CB 3.35Å; K857-A861 PolarHBondContact O-N 3.21Å; E858-A861 PolarHBondContact O-N 2.67Å; A861-A863 VanDerWaalsContact C-N 3.31Å; A861-A863 PolarHBondContact O-N 3.29Å; A861-S864 CarbonylContact O-C 3.55Å; A861-S864 WeakPolarHBondContact O-CA 3.46Å; A861-S864 WeakPolarHBondContact O-CB 3.35Å; A861-S864 PolarHBondContact O-N 3.18Å; A861-E865 PolarHBondContact O-N 3.22Å
862A82.1Confident83.5Confident44 Ų4479.2 Ų79.236%0.36445%0.445SS..Hα-helixtrans-62.2-37.1177.800000112E858 E865 I866E858-A862 VanDerWaalsContact O-CB 3.29Å; E858-A862 WeakPolarHBondContact O-CB 3.22Å; E858-A862 PolarHBondContact O-N 3.26Å; A862-E865 PolarHBondContact O-N 2.61Å; A862-I866 WeakPolarHBondContact O-CB 3.44Å; A862-I866 WeakPolarHBondContact O-CD1 3.25Å; A862-I866 VanDerWaalsContact O-CG1 3.23Å; A862-I866 WeakPolarHBondContact O-CG1 3.5Å; A862-I866 PolarHBondContact O-N 2.86Å
863A84Confident83.4Confident55 Ų5580.4 Ų80.446%0.45545%0.446SS..Hα-helixtrans-63.2-42.117100000112K859 A861 E865 I866 E867K859-A863 WeakPolarHBondContact O-CB 3.25Å; K859-A863 PolarHBondContact O-N 2.68Å; K859-A863 VanDerWaalsContact O-N 3.08Å; A861-A863 VanDerWaalsContact C-N 3.31Å; A861-A863 PolarHBondContact O-N 3.29Å; A863-E865 VanDerWaalsContact C-N 3.33Å; A863-E865 PolarHBondContact O-N 2.98Å; A863-I866 PolarHBondContact O-N 2.99Å; A863-E867 WeakPolarHBondContact O-CB 3.28Å; A863-E867 PolarHBondContact O-N 3.23Å
864S83.9Confident83.4Confident72 Ų7283.7 Ų83.750%0.50346%0.455SS..Hα-helixtrans-66.5-33.6176.5-55.30000112.6E860 A861 A868E860-S864 WeakPolarHBondContact O-CB 3.27Å; E860-S864 PolarHBondContact O-N 2.91Å; E860-S864 VanDerWaalsContact O-N 3.08Å; E860-S864 PolarHBondContact O-OG 3.23Å; A861-S864 CarbonylContact O-C 3.55Å; A861-S864 WeakPolarHBondContact O-CA 3.46Å; A861-S864 WeakPolarHBondContact O-CB 3.35Å; A861-S864 PolarHBondContact O-N 3.18Å; S864-A868 VanDerWaalsContact O-CB 3.3Å; S864-A868 WeakPolarHBondContact O-CB 3.29Å; S864-A868 PolarHBondContact O-N 3Å
865E84.1Confident83.3Confident124 Ų12489 Ų8958%0.57948%0.478SS*.Hα-helixtrans-71.4-43.7175.8-173.8172.5-162.700111.3A861 A862 A863 E867 A868 V869A861-E865 PolarHBondContact O-N 3.22Å; A862-E865 PolarHBondContact O-N 2.61Å; A863-E865 VanDerWaalsContact C-N 3.33Å; A863-E865 PolarHBondContact O-N 2.98Å; E865-E867 VanDerWaalsContact C-N 3.32Å; E865-E867 PolarHBondContact O-N 2.99Å; E865-A868 PolarHBondContact O-N 3.09Å; E865-V869 WeakPolarHBondContact O-CB 3.25Å; E865-V869 VanDerWaalsContact O-CG2 3.32Å; E865-V869 WeakPolarHBondContact O-CG2 3.46Å; E865-V869 PolarHBondContact O-N 2.87Å
866I82.5Confident83Confident122 Ų12293.2 Ų93.263%0.62650%0.496SS*.Hα-helixtrans-62.8-39.1173.2-67.6163.5000111A862 A863 S870A862-I866 WeakPolarHBondContact O-CB 3.44Å; A862-I866 WeakPolarHBondContact O-CD1 3.25Å; A862-I866 VanDerWaalsContact O-CG1 3.23Å; A862-I866 WeakPolarHBondContact O-CG1 3.5Å; A862-I866 PolarHBondContact O-N 2.86Å; A863-I866 PolarHBondContact O-N 2.99Å; I866-S870 WeakPolarHBondContact O-CB 3.4Å; I866-S870 PolarHBondContact O-N 3.41Å; I866-S870 PolarHBondContact O-OG 2.93Å
867E85.5Confident82.3Confident129 Ų12991.8 Ų91.860%0.60350%0.495SS*.Hα-helixtrans-65.4-40.6172.7-169.3174.7173.300111.6A863 E865 S870 V871A863-E867 WeakPolarHBondContact O-CB 3.28Å; A863-E867 PolarHBondContact O-N 3.23Å; E865-E867 VanDerWaalsContact C-N 3.32Å; E865-E867 PolarHBondContact O-N 2.99Å; E867-S870 WeakPolarHBondContact CA-OG 3.26Å; E867-S870 PolarHBondContact O-OG 3.4Å; E867-S870 VanDerWaalsContact O-OG 3.07Å; E867-V871 VanDerWaalsContact O-CB 3.3Å; E867-V871 WeakPolarHBondContact O-CB 3.39Å; E867-V871 VanDerWaalsContact O-CG2 3.25Å; E867-V871 WeakPolarHBondContact O-CG2 3.32Å; E867-V871 PolarHBondContact O-N 3.46Å
868A83.7Confident81.6Confident59 Ų5993.4 Ų93.449%0.48850%0.504SS..Hα-helixtrans-66.5-41.5175.700000112.9S864 E865 A872S864-A868 VanDerWaalsContact O-CB 3.3Å; S864-A868 WeakPolarHBondContact O-CB 3.29Å; S864-A868 PolarHBondContact O-N 3Å; E865-A868 PolarHBondContact O-N 3.09Å; A868-A872 WeakPolarHBondContact O-CB 3.48Å; A868-A872 PolarHBondContact O-N 3.14Å
869V83.6Confident80.8Confident90 Ų9095.9 Ų95.955%0.54552%0.518SS..Hα-helixtrans-67.8-43.8178169.70000111.1E865 A872 M873E865-V869 WeakPolarHBondContact O-CB 3.25Å; E865-V869 VanDerWaalsContact O-CG2 3.32Å; E865-V869 WeakPolarHBondContact O-CG2 3.46Å; E865-V869 PolarHBondContact O-N 2.87Å; V869-A872 WeakPolarHBondContact O-CB 3.44Å; V869-A872 PolarHBondContact O-N 3.12Å; V869-M873 WeakPolarHBondContact O-CB 3.29Å; V869-M873 PolarHBondContact O-N 3.28Å
870S85.1Confident79.6Confident54 Ų5493 Ų9338%0.37851%0.51SS..Hα-helixtrans-63.5-44.5175.149.40000112I866 E867 A872 M873 E874I866-S870 WeakPolarHBondContact O-CB 3.4Å; I866-S870 PolarHBondContact O-N 3.41Å; I866-S870 PolarHBondContact O-OG 2.93Å; E867-S870 WeakPolarHBondContact CA-OG 3.26Å; E867-S870 PolarHBondContact O-OG 3.4Å; E867-S870 VanDerWaalsContact O-OG 3.07Å; S870-A872 VanDerWaalsContact C-N 3.26Å; S870-A872 PolarHBondContact O-N 2.96Å; S870-M873 PolarHBondContact O-N 2.76Å; S870-E874 WeakPolarHBondContact O-CG 3.41Å; S870-E874 PolarHBondContact O-N 2.95Å
871V86.1Confident78.4Confident54 Ų5494.3 Ų94.333%0.32752%0.52SS..Hα-helixtrans-65.9-25.5174.3168.30000112.9E867 K875E867-V871 VanDerWaalsContact O-CB 3.3Å; E867-V871 WeakPolarHBondContact O-CB 3.39Å; E867-V871 VanDerWaalsContact O-CG2 3.25Å; E867-V871 WeakPolarHBondContact O-CG2 3.32Å; E867-V871 PolarHBondContact O-N 3.46Å; V871-K875 VanDerWaalsContact O-CD 3.29Å; V871-K875 WeakPolarHBondContact O-CD 3.36Å; V871-K875 WeakPolarHBondContact O-CE 3.47Å; V871-K875 VanDerWaalsContact O-CG 3.27Å; V871-K875 WeakPolarHBondContact O-CG 3.27Å; V871-K875 PolarHBondContact O-N 3.33Å
872A80.9Confident77.4Confident54 Ų5497.6 Ų97.645%0.44652%0.523SS..Hα-helixtrans-73.8-45.5170.600000111.3A868 V869 S870 K875 E876A868-A872 WeakPolarHBondContact O-CB 3.48Å; A868-A872 PolarHBondContact O-N 3.14Å; V869-A872 WeakPolarHBondContact O-CB 3.44Å; V869-A872 PolarHBondContact O-N 3.12Å; S870-A872 VanDerWaalsContact C-N 3.26Å; S870-A872 PolarHBondContact O-N 2.96Å; A872-K875 WeakPolarHBondContact O-CB 3.22Å; A872-K875 PolarHBondContact O-N 2.94Å; A872-E876 PolarHBondContact O-N 2.96Å
873M82.8Confident76.1Confident107 Ų10799.5 Ų99.553%0.52754%0.539SS..Hα-helixtrans-63.7-42.1179.1-152.9178.5-160.300111.6V869 S870 K875 E876 F877V869-M873 WeakPolarHBondContact O-CB 3.29Å; V869-M873 PolarHBondContact O-N 3.28Å; S870-M873 PolarHBondContact O-N 2.76Å; M873-K875 VanDerWaalsContact C-N 3.31Å; M873-K875 PolarHBondContact O-N 3.19Å; M873-E876 PolarHBondContact O-N 2.91Å; M873-E876 VanDerWaalsContact O-N 3.12Å; M873-F877 HydrophobicContact CE-CE2 4.48Å; M873-F877 HydrophobicContact CG-CD2 4.28Å; M873-F877 HydrophobicContact CG-CE2 4.08Å; M873-F877 VanDerWaalsContact O-CD2 3.31Å; M873-F877 WeakPolarHBondContact O-CD2 3.4Å; M873-F877 PolarHBondContact O-N 3.29Å
874E82.1Confident74.6Confident134 Ų134104.2 Ų104.263%0.62655%0.549SS*.Hα-helixtrans-55.9-44172.3-76.5-177.3166.900111.9S870 E878S870-E874 WeakPolarHBondContact O-CG 3.41Å; S870-E874 PolarHBondContact O-N 2.95Å; E874-E878 WeakPolarHBondContact O-CB 3.16Å; E874-E878 PolarHBondContact O-N 3.26Å
875K80.8Confident72.7Confident124 Ų124103.8 Ų103.854%0.53956%0.556SS.*Hα-helixtrans-67.9-33.7176.1-70165.7-169.6162.60112.8V871 A872 M873 E878 L879V871-K875 VanDerWaalsContact O-CD 3.29Å; V871-K875 WeakPolarHBondContact O-CD 3.36Å; V871-K875 WeakPolarHBondContact O-CE 3.47Å; V871-K875 VanDerWaalsContact O-CG 3.27Å; V871-K875 WeakPolarHBondContact O-CG 3.27Å; V871-K875 PolarHBondContact O-N 3.33Å; A872-K875 WeakPolarHBondContact O-CB 3.22Å; A872-K875 PolarHBondContact O-N 2.94Å; M873-K875 VanDerWaalsContact C-N 3.31Å; M873-K875 PolarHBondContact O-N 3.19Å; K875-E878 CarbonylContact O-C 3.53Å; K875-E878 PolarHBondContact O-N 3.18Å; K875-L879 VanDerWaalsContact O-CG 3.28Å; K875-L879 WeakPolarHBondContact O-CG 3.37Å; K875-L879 PolarHBondContact O-N 3.02Å
876E78.3Confident71Confident125 Ų125107.2 Ų107.258%0.58457%0.569SS**Hα-helixtrans-69.4-42.6177.7-169.1167.6-13700111.3A872 M873 E878 L879 L880A872-E876 PolarHBondContact O-N 2.96Å; M873-E876 PolarHBondContact O-N 2.91Å; M873-E876 VanDerWaalsContact O-N 3.12Å; E876-E878 VanDerWaalsContact C-N 3.34Å; E876-E878 PolarHBondContact O-N 3.36Å; E876-L879 PolarHBondContact O-N 3.44Å; E876-L879 VanDerWaalsContact O-N 3.13Å; E876-L880 PolarHBondContact O-N 2.93Å
877F69.6Low68.7Low130 Ų130108.3 Ų108.357%0.5758%0.581SS**Hα-helixtrans-58.1-45.4166.7-83.2-74.5000111.6M873 L879 L880 D881M873-F877 HydrophobicContact CE-CE2 4.48Å; M873-F877 HydrophobicContact CG-CD2 4.28Å; M873-F877 HydrophobicContact CG-CE2 4.08Å; M873-F877 VanDerWaalsContact O-CD2 3.31Å; M873-F877 WeakPolarHBondContact O-CD2 3.4Å; M873-F877 PolarHBondContact O-N 3.29Å; F877-L879 PolarHBondContact O-N 3.49Å; F877-L880 PolarHBondContact O-N 2.93Å; F877-L880 VanDerWaalsContact O-N 3.15Å; F877-D881 PolarHBondContact O-N 3.47Å; F877-D881 VanDerWaalsContact O-N 3.14Å
878E68.2Low66.7Low127 Ų127110.9 Ų110.959%0.59359%0.593SS**Hα-helixtrans-64.9-19.3177.4-140.9-157.8-127.300113E874 K875 E876 K882E874-E878 WeakPolarHBondContact O-CB 3.16Å; E874-E878 PolarHBondContact O-N 3.26Å; K875-E878 CarbonylContact O-C 3.53Å; K875-E878 PolarHBondContact O-N 3.18Å; E876-E878 VanDerWaalsContact C-N 3.34Å; E876-E878 PolarHBondContact O-N 3.36Å; E878-K882 VanDerWaalsContact CD-NZ 3.34Å; E878-K882 WeakPolarHBondContact O-CD 3.28Å; E878-K882 VanDerWaalsContact O-CG 3.28Å; E878-K882 WeakPolarHBondContact O-CG 3.48Å; E878-K882 PolarHBondContact O-NZ 3.2Å; E878-K882 IonicContact OE2-NZ 3.97Å; E878-K882 PolarHBondContact OE2-NZ 3.37Å
879L64.4Low64.4Low113 Ų113118.1 Ų118.159%0.59261%0.614SS**Hα-helixtrans-87.8-37172-74.3167000112.1K875 E876 F877 D881 K882 A883K875-L879 VanDerWaalsContact O-CG 3.28Å; K875-L879 WeakPolarHBondContact O-CG 3.37Å; K875-L879 PolarHBondContact O-N 3.02Å; E876-L879 PolarHBondContact O-N 3.44Å; E876-L879 VanDerWaalsContact O-N 3.13Å; F877-L879 PolarHBondContact O-N 3.49Å; L879-D881 VanDerWaalsContact C-N 3.34Å; L879-D881 PolarHBondContact O-N 3.27Å; L879-K882 PolarHBondContact O-N 3.31Å; L879-A883 PolarHBondContact O-N 3.01Å
880L57.4Low62.3Low90 Ų90125.9 Ų125.947%0.47163%0.633SS.*Hα-helixtrans-60.7-41.4176.7-123.185.3000112.2E876 F877 K882 A883 K884E876-L880 PolarHBondContact O-N 2.93Å; F877-L880 PolarHBondContact O-N 2.93Å; F877-L880 VanDerWaalsContact O-N 3.15Å; L880-K882 VanDerWaalsContact C-N 3.35Å; L880-A883 WeakPolarHBondContact O-CB 3.41Å; L880-A883 PolarHBondContact O-N 3.2Å; L880-K884 PolarHBondContact O-N 2.85Å
881D61.5Low59.8Low118 Ų118126.7 Ų126.763%0.63165%0.65SS**Hα-helixtrans-69.4-33176.6-83.2-11.6000112.3F877 L879 A883F877-D881 PolarHBondContact O-N 3.47Å; F877-D881 VanDerWaalsContact O-N 3.14Å; L879-D881 VanDerWaalsContact C-N 3.34Å; L879-D881 PolarHBondContact O-N 3.27Å; D881-A883 VanDerWaalsContact C-N 3.31Å; D881-A883 PolarHBondContact O-N 3.44Å
882K59.3Low57.5Low125 Ų125131.7 Ų131.754%0.54367%0.674SS.*Hα-helixtrans-69-29.5171.6-66.8-179.9-167.291.10112.1E878 L879 L880E878-K882 VanDerWaalsContact CD-NZ 3.34Å; E878-K882 WeakPolarHBondContact O-CD 3.28Å; E878-K882 VanDerWaalsContact O-CG 3.28Å; E878-K882 WeakPolarHBondContact O-CG 3.48Å; E878-K882 PolarHBondContact O-NZ 3.2Å; E878-K882 IonicContact OE2-NZ 3.97Å; E878-K882 PolarHBondContact OE2-NZ 3.37Å; L879-K882 PolarHBondContact O-N 3.31Å; L880-K882 VanDerWaalsContact C-N 3.35Å
883A54.4Low55.6Low83 Ų83134.7 Ų134.769%0.68669%0.686SS**Hα-helixtrans-72.8-31.6179.200000113.8L879 L880 D881 G885L879-A883 PolarHBondContact O-N 3.01Å; L880-A883 WeakPolarHBondContact O-CB 3.41Å; L880-A883 PolarHBondContact O-N 3.2Å; D881-A883 VanDerWaalsContact C-N 3.31Å; D881-A883 PolarHBondContact O-N 3.44Å; A883-G885 PolarHBondContact O-N 3.47Å
884K53.1Low53.1Low155 Ų155136.5 Ų136.567%0.67470%0.698SS**THydrogen-bonded Turntrans-72.5-4.5-179.9-73.6171.2-177.6166.40114.7L880 K886L880-K884 PolarHBondContact O-N 2.85Å; K884-K886 PolarHBondContact O-N 2.88Å; K884-K886 VanDerWaalsContact O-N 3.1Å
885G44.1Very low50.8Low62 Ų62136.6 Ų136.664%0.63971%0.708SS**  trans-77.520.3-166.500000119.3A883A883-G885 PolarHBondContact O-N 3.47Å
886K47Very low48.3Very low197 Ų197137.4 Ų137.486%0.85772%0.718SS**  trans-142.573.4-176.6-74.2-170.8179.1173.20116.4K884K884-K886 PolarHBondContact O-N 2.88Å; K884-K886 VanDerWaalsContact O-N 3.1Å
887T36Very low45.9Very low145 Ų145140.1 Ų140.189%0.8973%0.73SS**  trans-146.1136152.2-57.80000110.7
888Q41.6Very low43.9Very low183 Ų183141.1 Ų141.186%0.85574%0.737SS**  trans-88.6131.4-178.8-69-178.5-17.900112.8
889K36.7Very low42.4Very low210 Ų210140.1 Ų140.191%0.91374%0.744SS**  -168.4141.2120-105.9163.1-175.5172.90114
890R38.7Very low40.8Very low253 Ų253140.5 Ų140.596%0.95576%0.756SS**  trans-31.3136.9177.4-61.6167.8173168.6-4116.5
891G33.7Very low39.8Very low71 Ų71141.1 Ų141.173%0.73277%0.768SS**  trans-165.328.2178.500000120.5
892I37Very low38.4Very low160 Ų160143.3 Ų143.382%0.82178%0.778SS**  trans63.5106.6164.9-57.7176.3000117.6
893T40.6Very low37Very low116 Ų116145.9 Ų145.971%0.71279%0.79SS**  trans16.9124.1152.858.70000121.4
894N31.8Very low35.8Very low146 Ų146152.7 Ų152.778%0.78180%0.798SS**  -162.2138.2104.5-95.2-23.5000114
895T33Very low34.6Very low136 Ų136153.9 Ų153.983%0.83480%0.803SS**  trans38.4111.615555.90000121.4
896L29.2Very low33.8Very low141 Ų141161.7 Ų161.774%0.73881%0.813SS**  trans-128.2170.2148.7-177.560.3000108.2E898L896-E898 HydrophobicContact CD1-CB 4.06Å; L896-E898 HydrophobicContact CG-CB 4.21Å
897E26.4Very low32.9Very low182 Ų182160 Ų16085%0.8581%0.812SS**  trans123.472.4-178.8-73.2-80.7164.400107
898E28.6Very low32.6Very low151 Ų151157.6 Ų157.671%0.70680%0.801SS**  76153.453.1-157.1165.1-128.600114.3L896L896-E898 HydrophobicContact CD1-CB 4.06Å; L896-E898 HydrophobicContact CG-CB 4.21Å
899S36.7Very low31.9Very low106 Ų106156.1 Ų156.174%0.74180%0.8SS**  trans-68169.1-161.5750000116.6
900S29.5Very low31.7Very low121 Ų121151.3 Ų151.385%0.84679%0.793SS**  -156.7158123.142.90000112.4
901S37.5Very low31.4Very low103 Ų103149.3 Ų149.372%0.7279%0.791SS**  trans-110.1169-177.1680000111.5
902L31.3Very low31.2Very low163 Ų163149.3 Ų149.385%0.85379%0.791SS**  -172.7178126.7-100.9166.2000113
903K30.4Very low30.9Very low180 Ų180150.8 Ų150.878%0.78379%0.791SS**  trans-108.5155-156.8-58.9171.2179.5174.60114.2
904R28.5Very low30.4Very low225 Ų225151.6 Ų151.685%0.84979%0.791SS**  119.4133.5124.8-160.3-168.7-72.1158.7-7.4118.9
905K28.8Very low30.3Very low181 Ų181150.9 Ų150.979%0.78779%0.792SS**  trans88.2103.3148.5-105.6-178.5178.2-1780122.6
906R27.8Very low30.1Very low226 Ų226150.1 Ų150.185%0.85379%0.791SS**  62.4140.6125.1-106.1-171.4-172.8-1692.9122.7
907L28Very low30Very low160 Ų160147 Ų14784%0.83879%0.793SS**  trans73.5147.4165.9-56.9173.9000115
908S28.5Very low30.1Very low95 Ų95142.1 Ų142.166%0.66479%0.791SS**  cis-168.9152.7-12.9460000112.8
909D27.8Very low30Very low153 Ų153144 Ų14482%0.81880%0.797SS**  trans74.6163.3148.2-113.7-50.4000122.9
910S32.2Very low29.8Very low109 Ų109146.3 Ų146.376%0.76280%0.801SS**  trans67.8134.1-176.677.60000116.6
911K33Very low29.7Very low211 Ų211143.6 Ų143.692%0.91779%0.792SS**  cis92.461.87.1-153.4-174.3178.8178.90118.2
912G29Very low29.3Very low71 Ų71147.3 Ų147.373%0.73280%0.798SS**  trans-142.2125.9147.100000109.2
913K31.2Very low29.1Very low191 Ų191145.6 Ų145.683%0.8380%0.795SS**  77.2126.657.4-105-165172.9-172.10114.7
914N29.6Very low29.1Very low133 Ų133142.3 Ų142.371%0.71179%0.793SS**  trans75.7147.3160-49.1-6.9000114.7
915T29.5Very low29.1Very low130 Ų130138.7 Ų138.780%0.79879%0.79SS**  cis-152.2-174.83-10.70000112.6
916C28.2Very low29.1Very low121 Ų121134.6 Ų134.682%0.81878%0.784SS**  trans-57.3167.516753.40000113.8
917G28.1Very low29Very low76 Ų76133 Ų13378%0.78479%0.786SS**  cis155.2-169.1200000112.2
918G28.8Very low29Very low78 Ų78131 Ų13180%0.80479%0.785SS**  trans99.2135.6-173.600000111.7
919F25.3Very low29.1Very low191 Ų191130.6 Ų130.684%0.83878%0.783SS**  cis96.1139.719.3-164.9-106.5000115.2
920L33.8Very low29.1Very low154 Ų154130.2 Ų130.281%0.80678%0.781SS**  trans67146.4-161.9-49.4174.9000113.1
921G26.9Very low29Very low65 Ų65128.9 Ų128.967%0.6778%0.784SS**  cis-171.6131.6-10.400000107.1
922E27.8Very low28.8Very low181 Ų181124.5 Ų124.585%0.84678%0.78SS**  82.1144.787.9-166.9169.2-136.100113.7
923T28.2Very low28.8Very low127 Ų127125.4 Ų125.478%0.77978%0.775SS**  trans70.3149.5-176.576.50000116.3
924C29.3Very low28.7Very low110 Ų110121.2 Ų121.274%0.74377%0.77SS**  cis-160.1164.8-22.8-110.30000111.3
925L29.1Very low28.8Very low150 Ų150123 Ų12379%0.78577%0.774SS**  trans7.8125149.8-55.8174000118
926S28.1Very low29Very low95 Ų95125.1 Ų125.166%0.66478%0.781SS**  87.6136.156.3-67.90000114.3
927E27.2Very low29.1Very low191 Ų191123.9 Ų123.989%0.89378%0.779SS**  trans67.1154.8166.7-67.8150.2-142.400116.5
928S28Very low29.3Very low118 Ų118128.8 Ų128.883%0.82578%0.781SS**  cis-134-1726.366.50000112.9
929S29.6Very low29.1Very low88 Ų88131 Ų13162%0.61578%0.784SS**  trans-94.6175-176.167.70000115
930D29.1Very low29.2Very low145 Ų145127.2 Ų127.278%0.77578%0.782SS**  trans58.786.9149.1-48-37.6000120.7
931G28.6Very low29Very low81 Ų81124.8 Ų124.884%0.83578%0.778SS**  49.3126.6112.700000122.5
932S29.3Very low29Very low119 Ų119128.8 Ų128.883%0.83278%0.783SS**  -168.1135.7120-167.70000113.4
933S29.6Very low28.9Very low89 Ų89127.7 Ų127.762%0.62278%0.78SS**  trans43.8150.7147.6-148.50000124.9
934S27.6Very low28.9Very low104 Ų104128 Ų12873%0.72778%0.777SS**  trans97136.9144.977.10000118.6
935E32.8Very low28.9Very low171 Ų171128.2 Ų128.280%0.79977%0.774SS**  cis-166148-26.2-123.3160.6-12700107.1
936D33.1Very low28.9Very low174 Ų174127.5 Ų127.593%0.9377%0.767SS**  trans-147.5122.6170.3-111.4-37.5000110
937A31.5Very low28.9Very low94 Ų94131.7 Ų131.778%0.77777%0.768SS**  trans-155.6140.1178.200000110.7
938E31.9Very low29Very low180 Ų180131.5 Ų131.584%0.84176%0.759SS**  trans161.7140.4135-95-166.6-17900111.8
939S25.3Very low29Very low123 Ų123132 Ų13286%0.8676%0.757SS**  -172.784.4119.1420000112.4
940S26.5Very low29Very low113 Ų113131.9 Ų131.979%0.7976%0.762SS**SBendtrans-145.2153.8139.370.90000108.7
941S28.8Very low29.1Very low103 Ų103129.7 Ų129.772%0.7276%0.764SS**  trans-119.2153.4-141.457.70000116.3
942L27.2Very low29.1Very low149 Ų149134.7 Ų134.778%0.7876%0.763SS**  trans126.5121.7142.4-69170.8000115.5
943M26.3Very low29.2Very low158 Ų158137.2 Ų137.278%0.77876%0.761SS**  50.5127.2128.9-68.9-72.4172.500118.9
944N28.2Very low30.2Very low134 Ų134137.1 Ų137.172%0.71776%0.758SS**  cis-173.5177.114-160.3-7.6000111.2
945V29.7Very low30.5Very low114 Ų114141 Ų14169%0.69176%0.762SS**  trans73135.9159.6177.90000117.5
946Q29.6Very low30.3Very low134 Ų134138.1 Ų138.163%0.62676%0.757SS**  cis-178.4119.1-17.8177.7173.7-83.200112.3
947R28.1Very low30.1Very low183 Ų183135.2 Ų135.269%0.69175%0.75SS**  trans66.2159.1154.1-64.9174.7-173.2171.62.1117.9
948R27.3Very low29.9Very low187 Ų187134.7 Ų134.771%0.70675%0.746SS**  cis-171.5144-9-114.4176.2-175.9174.9-2.4111.8
949T29.1Very low29.9Very low129 Ų129130.8 Ų130.879%0.79174%0.738SS**  trans46.3154.7140.259.70000123.4
950A29.3Very low30.1Very low86 Ų86132.4 Ų132.471%0.71174%0.737SS**  cis-178.5141.1-22.100000113
951A30.9Very low30.2Very low99 Ų99132.6 Ų132.682%0.81874%0.738SS**  trans69150.8135.600000125.1
952K29.7Very low30.4Very low186 Ų186135.3 Ų135.381%0.80974%0.74SS**  trans108.3108.1154.2-68.8-166.4171.2-170.40120.7
953E30Very low30.4Very low172 Ų172134.8 Ų134.880%0.80474%0.738SS**  47.7155.7111.9-82.1-168.8-131.100122.5
954P52.2Low30.5Very low86 Ų86132 Ų13256%0.55873%0.734SS**  cis-148.9-169.3-46.342-21.8000114.4
955K32.8Very low30.6Very low186 Ų186131.5 Ų131.581%0.80974%0.735SS**  trans70.1162.6155.7-67.5175.1-175.1173.20118.4
956T29Very low30.5Very low111 Ų111133.7 Ų133.768%0.68174%0.735SS**  cis-171.5152.5-18.833.70000111.5
957S29.1Very low30.4Very low112 Ų112134 Ų13478%0.78374%0.737SS**  trans54.6157.6141.864.10000123.1
958A27.9Very low30.9Very low84 Ų84128.7 Ų128.769%0.69473%0.732SS**  cis-177162.1-23.500000112
959S31.7Very low31.6Very low98 Ų98125.2 Ų125.269%0.68573%0.734SS**  trans55.8121.1138.365.50000125.3
960D29.9Very low31.6Very low156 Ų156124.7 Ų124.783%0.83473%0.73SS**  85.6161.7119.6-78.9-51.6000126.5
961S27.8Very low31.6Very low117 Ų117129.4 Ų129.482%0.81874%0.735SS**  trans89.5151.8162.177.50000119.3
962Q31.7Very low31.5Very low161 Ų161132.9 Ų132.975%0.75274%0.739SS**  cis-169.1157.7-41.1-140-175.730.700110.4
963N28.4Very low31.5Very low137 Ų137127.2 Ų127.273%0.73373%0.734SS**  trans66.8164.5157.4-59.4-30000118.2
964S29.2Very low31.3Very low100 Ų100123 Ų12370%0.69974%0.736SS**  cis-155.3141.9-149.10000114.1
965V28.5Very low30.3Very low123 Ų123123.1 Ų123.175%0.74575%0.745SS**  44.7116.9127.7-176.50000118.9
966K29.1Very low30.2Very low160 Ų160120.3 Ų120.370%0.69674%0.743SS**  -177.9176.887.2-130.4160.6-166.2-65.60109.6
967E27.8Very low30.2Very low142 Ų142121.7 Ų121.766%0.66475%0.752SS**  cis-151.8170.68-173.560.2-62.400111.9
968A38.4Very low30Very low71 Ų71121.8 Ų121.859%0.58775%0.752SS**  trans-80.7-175.1169.900000113.1
969P40.7Very low30Very low114 Ų114123 Ų12374%0.7476%0.756SS**  cis-146.8154.120.844-22.8000121.6
970V28.6Very low29.7Very low117 Ų117122.9 Ų122.971%0.70976%0.755SS**  41.6110.1129.6-171.30000120.7
971K29.9Very low29.9Very low186 Ų186120.6 Ų120.681%0.80975%0.751SS**  trans53.5120.3144.9-61173.2-177.6178.80120.3
972N30.2Very low30.1Very low171 Ų171121.3 Ų121.391%0.91475%0.746SS**  -150.4157.1105.5-88.2-40.3000108.9
973G28Very low30.3Very low68 Ų68117.5 Ų117.570%0.70174%0.737SS**  cis144.7101.1-7.100000113
974G26.4Very low30.9Very low82 Ų82118 Ų11885%0.84574%0.739SS**  trans77.6166.317100000115.4
975A31.9Very low31.4Very low89 Ų89120.5 Ų120.574%0.73675%0.745SS**  cis-154.9-176.8-1.600000110.9
976T30.1Very low32Very low127 Ų127122 Ų12278%0.77975%0.749SS**  trans7.4135.7149.655.90000118.1
977T29.7Very low32.3Very low140 Ų140117.3 Ų117.386%0.85975%0.746SS**  -147.1160.450.342.80000115.1
978S24.4Very low32.6Very low114 Ų114113.9 Ų113.980%0.79775%0.748SS**  trans-130.6109.4161.255.80000109.5
979S27.5Very low32.6Very low110 Ų110119 Ų11977%0.76976%0.758SS**  trans-159.9125.3163-102.60000105
980S26.3Very low32.3Very low95 Ų95121.3 Ų121.366%0.66476%0.758SS**  cis60.486.117.284.90000114.5
981S32.9Very low32.6Very low108 Ų108124 Ų12476%0.75576%0.76SS**  -113.6145.9106.2-83.30000108.3
982D32.7Very low32.4Very low133 Ų133122.9 Ų122.971%0.71176%0.76SS**SBendcis-168.1154-17.9-91.2-37000106.8
983S36.6Very low32.3Very low81 Ų81121.3 Ų121.357%0.56676%0.757SS**  cis-163.2171.4-12.957.20000110
984D40.2Very low32.3Very low146 Ų146125.7 Ų125.778%0.78176%0.763SS**  trans65.5144.6156-41.6-39.2000119.7
985D39.3Very low32.2Very low153 Ų153127.7 Ų127.782%0.81876%0.759SS**  cis-150.4174.80.2-159.610.4000113.1
986D41.7Very low32.1Very low156 Ų156129.8 Ų129.883%0.83476%0.763SS**  trans-14.1156172.4-142.137.3000121.8
987G35.9Very low32.4Very low60 Ų60128.6 Ų128.662%0.61977%0.766SS**  cis168.1148.4-2.500000116
988G32.8Very low32.6Very low70 Ų70133.4 Ų133.472%0.72277%0.768SS**  trans78.8126.4166.800000117.9
989K38.3Very low33.1Very low180 Ų180133 Ų13378%0.78377%0.765SS**  cis7913642.6-68.9175.1163.3-85.60114.2
990E34.7Very low33.4Very low161 Ų161134 Ų13475%0.75277%0.766SS**  cis-152.4-155.1-2-141.2147.5-13300113.4
991K34.8Very low33.7Very low173 Ų173139.4 Ų139.475%0.75278%0.778SS**  trans-113.1152.1-153.7-98.5176.9177.4173.20118.1
992M27.1Very low33.7Very low163 Ų163137.5 Ų137.580%0.80378%0.775SS**  trans66.4132146.9-67.7166.2166.400121.3
993V26.4Very low33.8Very low139 Ų139141.3 Ų141.384%0.84279%0.786SS**  171.3157.1113.7156.20000111.2
994L28.1Very low33.8Very low159 Ų159147.6 Ų147.683%0.83280%0.803SS**  trans-51.6163.1177-61.7144000115.7
995V25.7Very low33.5Very low125 Ų125152 Ų15276%0.75881%0.808SS**  168121.3121.3151.20000115.5
996T29.1Very low33.2Very low133 Ų133156.5 Ų156.582%0.81681%0.814SS**  trans53.6144.5155.561.40000123.8
997A37.4Very low32.8Very low102 Ų102159 Ų15984%0.84382%0.818SS**  trans-82160.3165.300000113.3
998R32.8Very low32.7Very low241 Ų241164 Ų16491%0.90983%0.829SS**  trans-148.6143.8174.9-148.3175.3-172.6-164.62.4113.6
999S33.9Very low32.8Very low105 Ų105172.6 Ų172.673%0.73484%0.84SS**  trans-77.1149-177.3-179.40000113.9
1000V35Very low32.5Very low132 Ų132175.2 Ų175.280%0.885%0.845SS**  trans-13251.8-177-159.90000113.4G1002V1000-G1002 PolarHBondContact O-N 3.14Å
1001F32.5Very low32.5Very low207 Ų207172.4 Ų172.491%0.90885%0.849SS**  trans-78.271.1163.4-99.4-72.5000111.8K1003F1001-K1003 PolarHBondContact O-N 3.39Å
1002G32.3Very low32.6Very low68 Ų68176 Ų17670%0.70186%0.858SS**  trans-85.794.7-175.300000115.1V1000 K1004V1000-G1002 PolarHBondContact O-N 3.14Å; G1002-K1004 PolarHBondContact O-N 2.98Å
1003K35.4Very low32.8Very low213 Ų213171.9 Ų171.993%0.92686%0.857SS**  trans-65.5122.4170.9-68.5175.1-179.7170.30111.4F1001F1001-K1003 PolarHBondContact O-N 3.39Å
1004K36.1Very low33.3Very low213 Ų213177.4 Ų177.493%0.92686%0.863SS**  trans-131152.9165.4-112.7172.8-177172.40113.3G1002G1002-K1004 PolarHBondContact O-N 2.98Å
1005R33.9Very low34Very low238 Ų238179.8 Ų179.890%0.89887%0.867SS**  trans-78.7149.4-151.2-61.3162.176.8172.64.8114
1006R32.6Very low34.8Very low248 Ų248185 Ų18594%0.93687%0.873SS**  trans-46.9139.2164.4-69.5173.6168.9168.3-6.1111.7
1007K35.1Very low35.7Very low210 Ų210187.7 Ų187.791%0.91387%0.873SS**  trans-116.8136.6152.1-91.6-173.4174.9179.70109.2
1008L32.5Very low36Very low165 Ų165192.8 Ų192.886%0.86489%0.894SS**PPolyproline II helixtrans-77.9126.5179.6-13772.5000109.6
1009R35.5Very low36.1Very low249 Ų249190.4 Ų190.494%0.9489%0.893SS**PPolyproline II helixtrans-95.3136.3159.7-100.6-174.3169-176.1-3.9108.9
1010R31.5Very low36.3Very low236 Ų236194.9 Ų194.989%0.89190%0.902SS**PPolyproline II helixtrans-80.6144.4-172.6-68.7179.7171-171.2-3.5111.1
1011A35Very low36.3Very low102 Ų102198.4 Ų198.484%0.84391%0.907SS**PPolyproline II helixtrans-68.3142.9162.300000110.7
1012R36.6Very low36.6Very low248 Ų248197.9 Ų197.994%0.93691%0.907SS**  trans-127.3126.3155.6-86.1-176165.1177.1-5.1106.5
1013G32.3Very low36.8Very low76 Ų76206 Ų20678%0.78492%0.92SS**PPolyproline II helixtrans-81.2147.7-173.800000112.9K1015G1013-K1015 PolarHBondContact O-N 3.33Å
1014R36.8Very low36.9Very low256 Ų256205.5 Ų205.597%0.96692%0.92SS**PPolyproline II helixtrans-62.8125.2160.3-93.4179.2163.3167.6-6.5108.8
1015K42.1Very low37Very low209 Ų209205 Ų20591%0.90992%0.919SS**PPolyproline II helixtrans-68.7165.4158.6-89-172.8172.8-176.20109.5G1013G1013-K1015 PolarHBondContact O-N 3.33Å
1016R43.3Very low37.2Very low234 Ų234202.5 Ų202.588%0.88392%0.921SS**  trans-136.9142-172.9-171.5-174.7-171.3-171.54.4108
1017K46.4Very low37.6Very low190 Ų190198.7 Ų198.783%0.82692%0.92SS**  trans68.1156.9-170.9-57.2-171.4174.5-1680113.3
1018T44.2Very low37.8Very low209 Ų209197.6 Ų197.6100%1.28292%0.92SS**  cis-91.90-346.80000111.7

Retrieved 1,018 of 1,018 residues in 347.5 ms (Link to these results)

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