A0A087X387_POEFO Loading...

Enolase 4

AlphaFold DB , UniProt , Accession A0A087X387, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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
1S37.9Very low47Very low180 Ų180125.7 Ų125.7100%1.25974%0.742SS**  083.40-37.20000108.8
2T40.2Very low48.1Very low143 Ų143126.7 Ų126.788%0.87773%0.734SS**  trans-93120.6172.634.40000108.7
3S39.3Very low49.2Very low113 Ų113124.6 Ų124.679%0.7972%0.715SS**  trans-176.2108.5148.161.30000107.5
4A47.3Very low51.3Low91 Ų91122.6 Ų122.675%0.75270%0.701SS**  92.382.291.300000111.5
5L41.8Very low53.1Low185 Ų185120.4 Ų120.497%0.96969%0.685SS**  trans-13555.5158.1-94.5151.7000106.7
6S44.8Very low54.7Low91 Ų91120 Ų12064%0.63668%0.675SS**  trans-85.8113.5164.952.10000107.9
7S49.2Very low56.5Low55 Ų55120.1 Ų120.139%0.38567%0.667SS.*  trans-65.8141.7-173.462.20000112.8R9 L10S7-R9 PolarHBondContact O-N 2.98Å; S7-L10 PolarHBondContact O-N 3.02Å
8P54Low58.2Low97 Ų97121.8 Ų121.863%0.6367%0.671SS**Hα-helixtrans-56.4-21.917718.1-30.2000114.4L10 E12P8-L10 VanDerWaalsContact C-N 3.34Å; P8-L10 PolarHBondContact O-N 3.04Å; P8-E12 PolarHBondContact O-N 2.99Å
9R49.6Very low59.6Low206 Ų206124.9 Ų124.978%0.77767%0.672SS**Hα-helixtrans-67.6-25.3176.1-72.1-175.6-178.5-177.30.5114.9S7 M13S7-R9 PolarHBondContact O-N 2.98Å; R9-M13 WeakPolarHBondContact O-CB 3.31Å; R9-M13 PolarHBondContact O-N 3.34Å
10L52.4Low61Low97 Ų97122.8 Ų122.851%0.50866%0.659SS.*Hα-helixtrans-77.2-39.9178.9-82.7160.5000111S7 P8 M13 D14S7-L10 PolarHBondContact O-N 3.02Å; P8-L10 VanDerWaalsContact C-N 3.34Å; P8-L10 PolarHBondContact O-N 3.04Å; L10-M13 HydrophobicContact CD2-CE 4.5Å; L10-M13 PolarHBondContact O-N 3.19Å; L10-D14 PolarHBondContact O-N 2.95Å
11E60.8Low62.4Low125 Ų125119.7 Ų119.758%0.58465%0.651SS**Hα-helixtrans-66.2-42.2176.6-71.7-179.3164.700112M13 D14 I15E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 3.41Å; E11-D14 PolarHBondContact O-N 3.21Å; E11-I15 WeakPolarHBondContact O-CB 3.07Å; E11-I15 WeakPolarHBondContact O-CD1 3.5Å; E11-I15 VanDerWaalsContact O-CG1 3.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.45Å; E11-I15 PolarHBondContact O-N 3.5Å
12E60.2Low64.7Low137 Ų137113.1 Ų113.164%0.6461%0.607SS**Hα-helixtrans-60.6-37.6175-76.5-176.915500112.5P8 H16P8-E12 PolarHBondContact O-N 2.99Å; E12-H16 WeakPolarHBondContact O-CB 3.48Å; E12-H16 PolarHBondContact O-N 3.24Å
13M62.6Low66.9Low100 Ų100108.4 Ų108.449%0.49358%0.582SS.*Hα-helixtrans-72.6-35.6-179.5-153.4173.667.300112.1R9 L10 E11 H16 K17R9-M13 WeakPolarHBondContact O-CB 3.31Å; R9-M13 PolarHBondContact O-N 3.34Å; L10-M13 HydrophobicContact CD2-CE 4.5Å; L10-M13 PolarHBondContact O-N 3.19Å; E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 3.41Å; M13-H16 PolarHBondContact O-N 3.24Å; M13-K17 WeakPolarHBondContact O-CG 3.26Å; M13-K17 PolarHBondContact O-N 3.44Å; M13-K17 VanDerWaalsContact O-N 3.1Å
14D79Confident69.3Low96 Ų96107.1 Ų107.151%0.51356%0.564SS.*Hα-helixtrans-72.4-38.7174-86-16000112.4L10 E11 H16 K17 M18L10-D14 PolarHBondContact O-N 2.95Å; E11-D14 PolarHBondContact O-N 3.21Å; D14-H16 VanDerWaalsContact C-N 3.28Å; D14-H16 PolarHBondContact O-N 2.88Å; D14-K17 PolarHBondContact O-N 3.37Å; D14-M18 WeakPolarHBondContact O-CB 3.34Å; D14-M18 PolarHBondContact O-N 2.84Å
15I78.3Confident71.5Confident90 Ų90108.7 Ų108.746%0.46255%0.554SS.*Hα-helixtrans-61.2-40.5171.9-69.2165.6000110.4E11 M18 R19E11-I15 WeakPolarHBondContact O-CB 3.07Å; E11-I15 WeakPolarHBondContact O-CD1 3.5Å; E11-I15 VanDerWaalsContact O-CG1 3.23Å; E11-I15 WeakPolarHBondContact O-CG1 3.45Å; E11-I15 PolarHBondContact O-N 3.5Å; I15-M18 PolarHBondContact O-N 3.28Å; I15-R19 WeakPolarHBondContact O-CB 3.48Å; I15-R19 WeakPolarHBondContact O-CG 3.24Å; I15-R19 PolarHBondContact O-N 2.94Å
16H78.1Confident73.8Confident114 Ų114105.9 Ų105.953%0.52853%0.531SS..Hα-helixtrans-63.9-45.4177.6-168.968.4000112E12 M13 D14 R19 I20E12-H16 WeakPolarHBondContact O-CB 3.48Å; E12-H16 PolarHBondContact O-N 3.24Å; M13-H16 PolarHBondContact O-N 3.24Å; D14-H16 VanDerWaalsContact C-N 3.28Å; D14-H16 PolarHBondContact O-N 2.88Å; H16-R19 WeakPolarHBondContact O-CB 3.39Å; H16-R19 PolarHBondContact O-N 3.45Å; H16-I20 WeakPolarHBondContact O-CG1 3.42Å; H16-I20 PolarHBondContact O-N 3.35Å
17K85.7Confident75.9Confident122 Ų122109.9 Ų109.953%0.5353%0.533SS..Hα-helixtrans-61.8-43.4175-74.3176.4-177.4172.70112.4M13 D14 R19 I20 A21M13-K17 WeakPolarHBondContact O-CG 3.26Å; M13-K17 PolarHBondContact O-N 3.44Å; M13-K17 VanDerWaalsContact O-N 3.1Å; D14-K17 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact C-N 3.34Å; K17-R19 PolarHBondContact O-N 3.41Å; K17-I20 PolarHBondContact O-N 2.9Å; K17-A21 PolarHBondContact O-N 3.35Å
18M87.3Confident78Confident151 Ų151117.1 Ų117.174%0.74455%0.552SS**Hα-helixtrans-60.5-42174.8-99.2-169.6165.400112.1D14 I15 I20 A21 A22D14-M18 WeakPolarHBondContact O-CB 3.34Å; D14-M18 PolarHBondContact O-N 2.84Å; I15-M18 PolarHBondContact O-N 3.28Å; M18-I20 VanDerWaalsContact C-N 3.35Å; M18-I20 PolarHBondContact O-N 3.29Å; M18-A21 PolarHBondContact O-N 3.01Å; M18-A22 WeakPolarHBondContact O-CB 3.39Å; M18-A22 PolarHBondContact O-N 3.37Å
19R84.9Confident79.9Confident181 Ų181116.7 Ų116.768%0.68354%0.544SS*.Hα-helixtrans-61.2-42.2176.1-79.6175.9165.5171.5-1.6112.2I15 H16 K17 A22 A23I15-R19 WeakPolarHBondContact O-CB 3.48Å; I15-R19 WeakPolarHBondContact O-CG 3.24Å; I15-R19 PolarHBondContact O-N 2.94Å; H16-R19 WeakPolarHBondContact O-CB 3.39Å; H16-R19 PolarHBondContact O-N 3.45Å; K17-R19 VanDerWaalsContact C-N 3.34Å; K17-R19 PolarHBondContact O-N 3.41Å; R19-A22 PolarHBondContact O-N 3.49Å; R19-A23 WeakPolarHBondContact O-CB 3.46Å; R19-A23 PolarHBondContact O-N 3.44Å
20I87.6Confident81.9Confident81 Ų81108.3 Ų108.342%0.41552%0.521SS..Hα-helixtrans-63.5-49.1176.3-66.8170000110.3H16 K17 M18 A22 A23 E24H16-I20 WeakPolarHBondContact O-CG1 3.42Å; H16-I20 PolarHBondContact O-N 3.35Å; K17-I20 PolarHBondContact O-N 2.9Å; M18-I20 VanDerWaalsContact C-N 3.35Å; M18-I20 PolarHBondContact O-N 3.29Å; I20-A22 VanDerWaalsContact C-N 3.33Å; I20-A22 PolarHBondContact O-N 3.45Å; I20-A23 PolarHBondContact O-N 3.35Å; I20-E24 PolarHBondContact O-N 3.3Å
21A89.3Confident83.8Confident59 Ų59105.5 Ų105.549%0.48851%0.509SS..Hα-helixtrans-60.7-40.817900000112.3K17 M18 E24 F25K17-A21 PolarHBondContact O-N 3.35Å; M18-A21 PolarHBondContact O-N 3.01Å; A21-E24 PolarHBondContact O-N 2.87Å; A21-F25 WeakPolarHBondContact O-CB 3.35Å; A21-F25 PolarHBondContact O-N 3.47Å
22A86.4Confident84.9Confident41 Ų41102.5 Ų102.534%0.33950%0.5SS..Hα-helixtrans-64.6-43.4174.800000112M18 R19 I20 E24 F25 Y26M18-A22 WeakPolarHBondContact O-CB 3.39Å; M18-A22 PolarHBondContact O-N 3.37Å; R19-A22 PolarHBondContact O-N 3.49Å; I20-A22 VanDerWaalsContact C-N 3.33Å; I20-A22 PolarHBondContact O-N 3.45Å; A22-E24 VanDerWaalsContact C-N 3.32Å; A22-E24 PolarHBondContact O-N 3.13Å; A22-F25 WeakPolarHBondContact O-CB 3.37Å; A22-F25 PolarHBondContact O-N 3.17Å; A22-Y26 HydrophobicContact CB-CE2 4.42Å; A22-Y26 WeakPolarHBondContact O-CD2 3.37Å; A22-Y26 PolarHBondContact O-N 3.22Å
23A85.6Confident86.2Confident44 Ų4498.4 Ų98.436%0.36449%0.489SS..Hα-helixtrans-64.1-36.1177.300000112.6R19 I20 R27R19-A23 WeakPolarHBondContact O-CB 3.46Å; R19-A23 PolarHBondContact O-N 3.44Å; I20-A23 PolarHBondContact O-N 3.35Å; A23-R27 PolarHBondContact O-N 2.85Å; A23-R27 VanDerWaalsContact O-N 3.14Å
24E90.8Very high87.5Confident87 Ų8798.3 Ų98.341%0.40749%0.49SS..Hα-helixtrans-68.2-43172.2-74.7-170.1169.800112.4I20 A21 A22 Y26 R27 R28I20-E24 PolarHBondContact O-N 3.3Å; A21-E24 PolarHBondContact O-N 2.87Å; A22-E24 VanDerWaalsContact C-N 3.32Å; A22-E24 PolarHBondContact O-N 3.13Å; E24-Y26 VanDerWaalsContact C-N 3.35Å; E24-Y26 PolarHBondContact O-N 3.11Å; E24-R27 PolarHBondContact O-N 2.97Å; E24-R28 WeakPolarHBondContact O-CB 3.34Å; E24-R28 WeakPolarHBondContact O-CG 3.32Å; E24-R28 PolarHBondContact O-N 3.42Å
25F92.8Very high87.9Confident124 Ų12497.9 Ų97.954%0.54449%0.486SS..Hα-helixtrans-58-47.2175.1178.5-92.2000111.2A21 A22 R27 R28 N29A21-F25 WeakPolarHBondContact O-CB 3.35Å; A21-F25 PolarHBondContact O-N 3.47Å; A22-F25 WeakPolarHBondContact O-CB 3.37Å; A22-F25 PolarHBondContact O-N 3.17Å; F25-R27 PolarHBondContact O-N 3.28Å; F25-R28 PolarHBondContact O-N 3.49Å; F25-N29 WeakPolarHBondContact CD2-ND2 3.37Å; F25-N29 VanDerWaalsContact CE2-ND2 3.29Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.37Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.36Å; F25-N29 PolarHBondContact O-N 2.99Å; F25-N29 VanDerWaalsContact O-N 3.07Å; F25-N29 PolarHBondContact O-ND2 3.4Å
26Y90.5Very high88.2Confident125 Ų12597.1 Ų97.149%0.4948%0.481SS..Hα-helixtrans-61.8-42177.5-71.5-50.2000112.8A22 E24 N29 G30 V31 P32A22-Y26 HydrophobicContact CB-CE2 4.42Å; A22-Y26 WeakPolarHBondContact O-CD2 3.37Å; A22-Y26 PolarHBondContact O-N 3.22Å; E24-Y26 VanDerWaalsContact C-N 3.35Å; E24-Y26 PolarHBondContact O-N 3.11Å; Y26-N29 PolarHBondContact O-N 3.32Å; Y26-G30 PolarHBondContact O-N 2.99Å; Y26-V31 HydrophobicContact CD1-CB 3.9Å; Y26-V31 HydrophobicContact CD1-CG1 3.84Å; Y26-V31 HydrophobicContact CD1-CG2 3.93Å; Y26-V31 HydrophobicContact CE1-CG1 4.39Å; Y26-V31 PolarHBondContact O-N 3.05Å; Y26-P32 VanDerWaalsContact O-CD 3.32Å; Y26-P32 WeakPolarHBondContact O-CD 3.29Å
27R89.5Confident88.6Confident175 Ų17599.1 Ų99.166%0.6648%0.484SS*.Hα-helixtrans-62.9-47.9175.1-92.6-176.8-71.9168.9-1.7112.3A23 E24 F25 N29 G30A23-R27 PolarHBondContact O-N 2.85Å; A23-R27 VanDerWaalsContact O-N 3.14Å; E24-R27 PolarHBondContact O-N 2.97Å; F25-R27 PolarHBondContact O-N 3.28Å; R27-N29 PolarHBondContact O-N 2.96Å; R27-G30 PolarHBondContact O-N 2.87Å; R27-G30 VanDerWaalsContact O-N 3.11Å
28R93.3Very high88.8Confident208 Ų20895.3 Ų95.379%0.78548%0.475SS*.Hα-helixtrans-60.8-33.1-179.9-78.8-176.1-178.8168.95.1112.9E24 F25E24-R28 WeakPolarHBondContact O-CB 3.34Å; E24-R28 WeakPolarHBondContact O-CG 3.32Å; E24-R28 PolarHBondContact O-N 3.42Å; F25-R28 PolarHBondContact O-N 3.49Å
29N94Very high88.7Confident87 Ų8790 Ų9047%0.46545%0.45SS..THydrogen-bonded Turntrans-92.27.8180-68.5-78.1000113.5F25 Y26 R27 V31F25-N29 WeakPolarHBondContact CD2-ND2 3.37Å; F25-N29 VanDerWaalsContact CE2-ND2 3.29Å; F25-N29 WeakPolarHBondContact CE2-ND2 3.37Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.36Å; F25-N29 PolarHBondContact O-N 2.99Å; F25-N29 VanDerWaalsContact O-N 3.07Å; F25-N29 PolarHBondContact O-ND2 3.4Å; Y26-N29 PolarHBondContact O-N 3.32Å; R27-N29 PolarHBondContact O-N 2.96Å; N29-V31 HydrophobicContact CB-CG2 3.96Å; N29-V31 PolarHBondContact O-N 2.9Å; N29-V31 VanDerWaalsContact O-N 3.11Å
30G91.6Very high88.8Confident30 Ų3083.2 Ų83.231%0.30943%0.427SS..THydrogen-bonded Turntrans63.617.6177.500000114.5Y26 R27 P32 A33 I34Y26-G30 PolarHBondContact O-N 2.99Å; R27-G30 PolarHBondContact O-N 2.87Å; R27-G30 VanDerWaalsContact O-N 3.11Å; G30-P32 VanDerWaalsContact C-CD 3.5Å; G30-A33 PolarHBondContact O-N 2.95Å; G30-A33 VanDerWaalsContact O-N 3.13Å; G30-I34 PolarHBondContact O-N 2.68Å
31V91.1Very high88.8Confident39 Ų3986.4 Ų86.424%0.23644%0.44CS..Hα-helixtrans-57.6-41.5-175.3176.50000112.6Y26 N29 A33 I34 I35Y26-V31 HydrophobicContact CD1-CB 3.9Å; Y26-V31 HydrophobicContact CD1-CG1 3.84Å; Y26-V31 HydrophobicContact CD1-CG2 3.93Å; Y26-V31 HydrophobicContact CE1-CG1 4.39Å; Y26-V31 PolarHBondContact O-N 3.05Å; N29-V31 HydrophobicContact CB-CG2 3.96Å; N29-V31 PolarHBondContact O-N 2.9Å; N29-V31 VanDerWaalsContact O-N 3.11Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.47Å; V31-I34 PolarHBondContact O-N 3.07Å; V31-I35 HydrophobicContact CG1-CD1 3.74Å; V31-I35 HydrophobicContact CG1-CG1 4.25Å; V31-I35 WeakPolarHBondContact O-CG1 3.31Å; V31-I35 PolarHBondContact O-N 3.33Å
32P85Confident88.6Confident61 Ų6190.3 Ų90.340%0.39645%0.452SS..Hα-helixtrans-56.5-44.3175.4-26.835.8000113.4Y26 G30 I34 I35 E36Y26-P32 VanDerWaalsContact O-CD 3.32Å; Y26-P32 WeakPolarHBondContact O-CD 3.29Å; G30-P32 VanDerWaalsContact C-CD 3.5Å; P32-I34 VanDerWaalsContact C-N 3.33Å; P32-I34 PolarHBondContact O-N 3.1Å; P32-I35 PolarHBondContact O-N 3.16Å; P32-E36 WeakPolarHBondContact O-CB 3.34Å; P32-E36 PolarHBondContact O-N 3.3Å
33A87Confident88.4Confident51 Ų5190.9 Ų90.942%0.42145%0.447SS..Hα-helixtrans-68.9-31.7-179.600000112.7G30 V31 R37G30-A33 PolarHBondContact O-N 2.95Å; G30-A33 VanDerWaalsContact O-N 3.13Å; V31-A33 VanDerWaalsContact C-N 3.34Å; V31-A33 PolarHBondContact O-N 3.47Å; A33-R37 WeakPolarHBondContact O-CB 3.37Å; A33-R37 PolarHBondContact O-N 2.88Å
34I90.3Very high88.2Confident99 Ų9997.6 Ų97.651%0.50848%0.476SS..Hα-helixtrans-68.6-45.2173.9-64.5169.3000110.1G30 V31 P32 R37 A38G30-I34 PolarHBondContact O-N 2.68Å; V31-I34 PolarHBondContact O-N 3.07Å; P32-I34 VanDerWaalsContact C-N 3.33Å; P32-I34 PolarHBondContact O-N 3.1Å; I34-R37 PolarHBondContact O-N 3.11Å; I34-A38 WeakPolarHBondContact O-CB 3.32Å; I34-A38 PolarHBondContact O-N 3.29Å
35I86.7Confident87.6Confident86 Ų86103.2 Ų103.244%0.44149%0.493SS..Hα-helixtrans-61.8-47176.6-68.7171000110.1V31 P32 R37 A38 L39V31-I35 HydrophobicContact CG1-CD1 3.74Å; V31-I35 HydrophobicContact CG1-CG1 4.25Å; V31-I35 WeakPolarHBondContact O-CG1 3.31Å; V31-I35 PolarHBondContact O-N 3.33Å; P32-I35 PolarHBondContact O-N 3.16Å; I35-R37 PolarHBondContact O-N 3.26Å; I35-A38 PolarHBondContact O-N 3.11Å; I35-L39 HydrophobicContact CG2-CD1 3.73Å; I35-L39 HydrophobicContact CG2-CG 4.21Å; I35-L39 WeakPolarHBondContact O-CB 3.11Å; I35-L39 VanDerWaalsContact O-CG 3.24Å; I35-L39 WeakPolarHBondContact O-CG 3.49Å; I35-L39 PolarHBondContact O-N 3.07Å
36E85.6Confident87.2Confident74 Ų74103.9 Ų103.935%0.34650%0.498SS..Hα-helixtrans-58.8-45.7178.2-174.3-179.5179.100111.7P32 L39 N40 V50P32-E36 WeakPolarHBondContact O-CB 3.34Å; P32-E36 PolarHBondContact O-N 3.3Å; E36-L39 PolarHBondContact O-N 3.47Å; E36-N40 WeakPolarHBondContact O-CB 3.48Å; E36-N40 PolarHBondContact O-N 2.93Å; E36-N40 PolarHBondContact O-ND2 2.84Å; E36-V50 HydrophobicContact CG-CG1 3.91Å
37R86.6Confident86.8Confident156 Ų15699.1 Ų99.159%0.58948%0.483SS*.Hα-helixtrans-60.9-48.2175.6-171.6-173.7-54158.25.3111.8A33 I34 I35 L39 N40 E41A33-R37 WeakPolarHBondContact O-CB 3.37Å; A33-R37 PolarHBondContact O-N 2.88Å; I34-R37 PolarHBondContact O-N 3.11Å; I35-R37 PolarHBondContact O-N 3.26Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.07Å; R37-N40 PolarHBondContact O-N 3.46Å; R37-E41 WeakPolarHBondContact O-CG 3.32Å; R37-E41 PolarHBondContact O-N 3.09Å
38A88.6Confident86.6Confident43 Ų4396 Ų9636%0.35549%0.494SS..Hα-helixtrans-61.6-41.5178.900000111.6I34 I35 E41 L42I34-A38 WeakPolarHBondContact O-CB 3.32Å; I34-A38 PolarHBondContact O-N 3.29Å; I35-A38 PolarHBondContact O-N 3.11Å; A38-E41 PolarHBondContact O-N 3.15Å; A38-L42 VanDerWaalsContact O-CG 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.38Å; A38-L42 PolarHBondContact O-N 3.5Å
39L86.5Confident86.2Confident38 Ų3890.2 Ų90.220%0.19948%0.479CS..Hα-helixtrans-63.4-46.3174.9-70.4171.4000111I35 E36 R37 E41 L42 F43 V50 L54I35-L39 HydrophobicContact CG2-CD1 3.73Å; I35-L39 HydrophobicContact CG2-CG 4.21Å; I35-L39 WeakPolarHBondContact O-CB 3.11Å; I35-L39 VanDerWaalsContact O-CG 3.24Å; I35-L39 WeakPolarHBondContact O-CG 3.49Å; I35-L39 PolarHBondContact O-N 3.07Å; E36-L39 PolarHBondContact O-N 3.47Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.07Å; L39-E41 VanDerWaalsContact C-N 3.29Å; L39-E41 PolarHBondContact O-N 2.78Å; L39-L42 WeakPolarHBondContact O-CA 3.45Å; L39-L42 WeakPolarHBondContact O-CB 3.34Å; L39-L42 PolarHBondContact O-N 3.1Å; L39-F43 HydrophobicContact CB-CD2 4.43Å; L39-F43 HydrophobicContact CB-CE2 4.27Å; L39-F43 HydrophobicContact CD2-CE2 4.26Å; L39-F43 WeakPolarHBondContact O-CD2 3.46Å; L39-F43 PolarHBondContact O-N 3.27Å; L39-V50 HydrophobicContact CB-CG1 4.14Å; L39-V50 HydrophobicContact CB-CG2 3.77Å; L39-V50 HydrophobicContact CD1-CG1 4.26Å; L39-L54 HydrophobicContact CD1-CD1 4.15Å; L39-L54 HydrophobicContact CD2-CD1 4.29Å
40N85.6Confident85.9Confident39 Ų3986.1 Ų86.121%0.20946%0.457CS..Hα-helixtrans-60.6-35.3177.6-81.1-35.7000113.2E36 R37 L42 P47 V50E36-N40 WeakPolarHBondContact O-CB 3.48Å; E36-N40 PolarHBondContact O-N 2.93Å; E36-N40 PolarHBondContact O-ND2 2.84Å; R37-N40 PolarHBondContact O-N 3.46Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-P47 PolarHBondContact OD1-O 3.33Å; N40-V50 WeakPolarHBondContact OD1-CB 3.38Å
41E87.8Confident85.5Confident149 Ų14988.9 Ų88.970%0.69646%0.461SS*.Hα-helixtrans-67.3-30.5173-74.1176.4-170.200112.6R37 A38 L39R37-E41 WeakPolarHBondContact O-CG 3.32Å; R37-E41 PolarHBondContact O-N 3.09Å; A38-E41 PolarHBondContact O-N 3.15Å; L39-E41 VanDerWaalsContact C-N 3.29Å; L39-E41 PolarHBondContact O-N 2.78Å
42L85.9Confident85.2Confident140 Ų14088 Ų8873%0.73346%0.46SS*.Hα-helixtrans-80.6-28.1179-68.3167.8000113.2A38 L39 N40A38-L42 VanDerWaalsContact O-CG 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.38Å; A38-L42 PolarHBondContact O-N 3.5Å; L39-L42 WeakPolarHBondContact O-CA 3.45Å; L39-L42 WeakPolarHBondContact O-CB 3.34Å; L39-L42 PolarHBondContact O-N 3.1Å; N40-L42 VanDerWaalsContact C-N 3.3Å
43F82.6Confident85.2Confident54 Ų5489 Ų8924%0.23746%0.457CS..  trans-88.4112.3-179.9-74.4-72.4000112.2L39 R45 Q46 V50 Y53 L54L39-F43 HydrophobicContact CB-CD2 4.43Å; L39-F43 HydrophobicContact CB-CE2 4.27Å; L39-F43 HydrophobicContact CD2-CE2 4.26Å; L39-F43 WeakPolarHBondContact O-CD2 3.46Å; L39-F43 PolarHBondContact O-N 3.27Å; F43-R45 PolarHBondContact O-N 2.8Å; F43-Q46 VanDerWaalsContact O-CG 3.31Å; F43-Q46 WeakPolarHBondContact O-CG 3.32Å; F43-Q46 PolarHBondContact O-N 2.86Å; F43-V50 HydrophobicContact CD2-CG2 3.39Å; F43-V50 HydrophobicContact CE2-CG2 3.61Å; F43-V50 HydrophobicContact CG-CG2 4.43Å; F43-Y53 HydrophobicContact CD1-CE1 4.39Å; F43-Y53 HydrophobicContact CE1-CE1 4.33Å; F43-L54 HydrophobicContact CE1-CD2 4.18Å; F43-L54 HydrophobicContact CE2-CD1 4Å; F43-L54 HydrophobicContact CE2-CD2 4.14Å; F43-L54 HydrophobicContact CE2-CG 4.08Å; F43-L54 HydrophobicContact CZ-CD1 4.11Å; F43-L54 HydrophobicContact CZ-CD2 3.4Å; F43-L54 HydrophobicContact CZ-CG 3.83Å
44L80.6Confident85.1Confident184 Ų18488 Ų8896%0.96344%0.444SS*.THydrogen-bonded Turntrans-50-31.7172.1-89.8145.2000114.3
45R79Confident84.8Confident205 Ų20586.1 Ų86.177%0.77444%0.443SS*.THydrogen-bonded Turntrans-84.5-14.2-179-70.9-161177-162.12.1114.6F43F43-R45 PolarHBondContact O-N 2.8Å
46Q82.9Confident84.5Confident139 Ų13987 Ų8765%0.6545%0.449SS*.  trans39.360.6-177.4-61.4-171.1-12.800113.6F43F43-Q46 VanDerWaalsContact O-CG 3.31Å; F43-Q46 WeakPolarHBondContact O-CG 3.32Å; F43-Q46 PolarHBondContact O-N 2.86Å
47P83.1Confident84.4Confident25 Ų2587.6 Ų87.616%0.16245%0.45CS..  trans-60.2143.8179.827.8-35.4000111N40 D49 V50 Y53N40-P47 PolarHBondContact OD1-O 3.33Å; P47-D49 PolarHBondContact O-N 2.92Å; P47-V50 HydrophobicContact CG-CB 4.26Å; P47-V50 HydrophobicContact CG-CG2 4.24Å; P47-Y53 HydrophobicContact CB-CD2 4.15Å; P47-Y53 HydrophobicContact CB-CG 4.08Å; P47-Y53 HydrophobicContact CG-CD1 4.26Å; P47-Y53 HydrophobicContact CG-CD2 4.35Å; P47-Y53 HydrophobicContact CG-CG 3.88Å
48A84.1Confident84.1Confident108 Ų10886 Ų8689%0.89345%0.448SS*.SBendtrans-61.2-27.4178.600000113.3
49D86.5Confident83.7Confident88 Ų8888.4 Ų88.447%0.47145%0.454SS..  trans-12796.1169.9174.810.6000109.1P47 H51 G52 Y53P47-D49 PolarHBondContact O-N 2.92Å; D49-H51 VanDerWaalsContact C-N 3.3Å; D49-H51 PolarHBondContact O-N 3.4Å; D49-H51 PolarHBondContact OD1-N 3.14Å; D49-H51 VanDerWaalsContact OD1-N 3.11Å; D49-G52 VanDerWaalsContact CG-N 3.28Å; D49-G52 PolarHBondContact OD1-N 3.24Å; D49-G52 WeakPolarHBondContact OD2-CA 3.32Å; D49-G52 PolarHBondContact OD2-N 2.88Å; D49-Y53 VanDerWaalsContact O-CB 3.32Å; D49-Y53 WeakPolarHBondContact O-CB 3.4Å; D49-Y53 PolarHBondContact O-N 3.3Å
50V86.8Confident83.1Confident0 Ų094.1 Ų94.10%048%0.48CS..Hα-helixtrans-67.9-30.9-17974.70000112.7E36 L39 N40 F43 P47 L54E36-V50 HydrophobicContact CG-CG1 3.91Å; L39-V50 HydrophobicContact CB-CG1 4.14Å; L39-V50 HydrophobicContact CB-CG2 3.77Å; L39-V50 HydrophobicContact CD1-CG1 4.26Å; N40-V50 WeakPolarHBondContact OD1-CB 3.38Å; F43-V50 HydrophobicContact CD2-CG2 3.39Å; F43-V50 HydrophobicContact CE2-CG2 3.61Å; F43-V50 HydrophobicContact CG-CG2 4.43Å; P47-V50 HydrophobicContact CG-CB 4.26Å; P47-V50 HydrophobicContact CG-CG2 4.24Å; V50-L54 WeakPolarHBondContact O-CB 3.47Å; V50-L54 WeakPolarHBondContact O-CG 3.47Å; V50-L54 PolarHBondContact O-N 3.14Å
51H84.6Confident82.8Confident89 Ų8998 Ų9841%0.41250%0.5SS..Hα-helixtrans-74.2-44.9179.9-67.3-58.4000111D49 L54 A55D49-H51 VanDerWaalsContact C-N 3.3Å; D49-H51 PolarHBondContact O-N 3.4Å; D49-H51 PolarHBondContact OD1-N 3.14Å; D49-H51 VanDerWaalsContact OD1-N 3.11Å; H51-L54 PolarHBondContact O-N 3.45Å; H51-A55 WeakPolarHBondContact O-CB 3.09Å; H51-A55 PolarHBondContact O-N 3.44Å
52G84.7Confident82.4Confident20 Ų2092.6 Ų92.621%0.20648%0.479CS..Hα-helixtrans-62.5-41.5172.600000112.4D49 A55 N56D49-G52 VanDerWaalsContact CG-N 3.28Å; D49-G52 PolarHBondContact OD1-N 3.24Å; D49-G52 WeakPolarHBondContact OD2-CA 3.32Å; D49-G52 PolarHBondContact OD2-N 2.88Å; G52-A55 PolarHBondContact O-N 2.92Å; G52-N56 PolarHBondContact O-N 3.26Å; G52-N56 PolarHBondContact O-ND2 3.43Å
53Y84.6Confident82.2Confident83 Ų8388.4 Ų88.433%0.32546%0.459SS..Hα-helixtrans-59.2-48.9174.6-178.3-91.4000112F43 P47 D49 A55 N56 F57F43-Y53 HydrophobicContact CD1-CE1 4.39Å; F43-Y53 HydrophobicContact CE1-CE1 4.33Å; P47-Y53 HydrophobicContact CB-CD2 4.15Å; P47-Y53 HydrophobicContact CB-CG 4.08Å; P47-Y53 HydrophobicContact CG-CD1 4.26Å; P47-Y53 HydrophobicContact CG-CD2 4.35Å; P47-Y53 HydrophobicContact CG-CG 3.88Å; D49-Y53 VanDerWaalsContact O-CB 3.32Å; D49-Y53 WeakPolarHBondContact O-CB 3.4Å; D49-Y53 PolarHBondContact O-N 3.3Å; Y53-A55 PolarHBondContact O-N 3.36Å; Y53-N56 PolarHBondContact O-N 3.29Å; Y53-F57 WeakPolarHBondContact O-CB 3.25Å; Y53-F57 PolarHBondContact O-N 3.47Å
54L84.6Confident82.4Confident29 Ų2990.2 Ų90.215%0.15248%0.476CS..Hα-helixtrans-62.7-41.1177-83.6174.3000112.4L39 F43 V50 H51 N56 F57 F58L39-L54 HydrophobicContact CD1-CD1 4.15Å; L39-L54 HydrophobicContact CD2-CD1 4.29Å; F43-L54 HydrophobicContact CE1-CD2 4.18Å; F43-L54 HydrophobicContact CE2-CD1 4Å; F43-L54 HydrophobicContact CE2-CD2 4.14Å; F43-L54 HydrophobicContact CE2-CG 4.08Å; F43-L54 HydrophobicContact CZ-CD1 4.11Å; F43-L54 HydrophobicContact CZ-CD2 3.4Å; F43-L54 HydrophobicContact CZ-CG 3.83Å; V50-L54 WeakPolarHBondContact O-CB 3.47Å; V50-L54 WeakPolarHBondContact O-CG 3.47Å; V50-L54 PolarHBondContact O-N 3.14Å; H51-L54 PolarHBondContact O-N 3.45Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 2.79Å; L54-F57 PolarHBondContact O-N 3.06Å; L54-F58 HydrophobicContact CB-CD2 4.36Å; L54-F58 HydrophobicContact CB-CE2 4.31Å; L54-F58 HydrophobicContact CD2-CD2 4.36Å; L54-F58 HydrophobicContact CD2-CE2 3.68Å; L54-F58 HydrophobicContact CD2-CZ 4.24Å; L54-F58 WeakPolarHBondContact O-CB 3.49Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 PolarHBondContact O-N 3.28Å
55A83.2Confident83Confident60 Ų6082.7 Ų82.750%0.49644%0.439SS..Hα-helixtrans-59.6-46.5177.100000111.1H51 G52 Y53 L59H51-A55 WeakPolarHBondContact O-CB 3.09Å; H51-A55 PolarHBondContact O-N 3.44Å; G52-A55 PolarHBondContact O-N 2.92Å; Y53-A55 PolarHBondContact O-N 3.36Å; A55-L59 VanDerWaalsContact O-CB 3.29Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 2.69Å
56N81.8Confident83.8Confident105 Ų10577.2 Ų77.256%0.56142%0.418SS*.Hα-helixtrans-65-44.3176.5-69.7-21.9000111.8G52 Y53 L54 F58 L59 E60G52-N56 PolarHBondContact O-N 3.26Å; G52-N56 PolarHBondContact O-ND2 3.43Å; Y53-N56 PolarHBondContact O-N 3.29Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 2.79Å; N56-F58 PolarHBondContact O-N 2.93Å; N56-L59 VanDerWaalsContact O-CB 3.31Å; N56-L59 WeakPolarHBondContact O-CB 3.29Å; N56-L59 PolarHBondContact O-N 3.5Å; N56-L59 VanDerWaalsContact O-N 3.16Å; N56-E60 PolarHBondContact O-N 3.29Å
57F82.2Confident84.5Confident86 Ų8670.7 Ų70.738%0.37739%0.387SS..Hα-helixtrans-60.6-45.9178179.4-100000112.4Y53 L54 L59 E60 L61Y53-F57 WeakPolarHBondContact O-CB 3.25Å; Y53-F57 PolarHBondContact O-N 3.47Å; L54-F57 PolarHBondContact O-N 3.06Å; F57-L59 VanDerWaalsContact C-N 3.29Å; F57-L59 PolarHBondContact O-N 3.19Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 3.39Å; F57-L61 HydrophobicContact CD1-CD1 4.13Å; F57-L61 HydrophobicContact CE1-CD1 3.55Å; F57-L61 HydrophobicContact CZ-CD1 3.94Å; F57-L61 PolarHBondContact O-N 3.33Å
58F81.2Confident85.1Confident122 Ų12270.4 Ų70.454%0.53539%0.386SS..Hα-helixtrans-72.2-24176.6-70.9-56.2000113L54 N56 L61 S62L54-F58 HydrophobicContact CB-CD2 4.36Å; L54-F58 HydrophobicContact CB-CE2 4.31Å; L54-F58 HydrophobicContact CD2-CD2 4.36Å; L54-F58 HydrophobicContact CD2-CE2 3.68Å; L54-F58 HydrophobicContact CD2-CZ 4.24Å; L54-F58 WeakPolarHBondContact O-CB 3.49Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 PolarHBondContact O-N 3.28Å; N56-F58 PolarHBondContact O-N 2.93Å; F58-L61 HydrophobicContact CD1-CD1 4.16Å; F58-L61 CarbonylContact O-C 3.53Å; F58-L61 PolarHBondContact O-N 2.89Å; F58-S62 PolarHBondContact O-N 3.07Å; F58-S62 VanDerWaalsContact O-N 3.1Å
59L78.8Confident85.7Confident94 Ų9465.8 Ų65.849%0.49235%0.346SS..Hα-helixtrans-65.5-40.4171.1-166.572.2000110.8A55 N56 F57 L61 S62 C93A55-L59 VanDerWaalsContact O-CB 3.29Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 2.69Å; N56-L59 VanDerWaalsContact O-CB 3.31Å; N56-L59 WeakPolarHBondContact O-CB 3.29Å; N56-L59 PolarHBondContact O-N 3.5Å; N56-L59 VanDerWaalsContact O-N 3.16Å; F57-L59 VanDerWaalsContact C-N 3.29Å; F57-L59 PolarHBondContact O-N 3.19Å; L59-L61 PolarHBondContact O-N 3.44Å; L59-S62 WeakPolarHBondContact O-CB 3.27Å; L59-S62 PolarHBondContact O-N 2.87Å; L59-S62 PolarHBondContact O-OG 3.39Å; L59-C93 VanDerWaalsContact CD1-SG 3.57Å
60E75.4Confident86.2Confident158 Ų15861.7 Ų61.774%0.73832%0.324SS*.Hα-helixtrans-62.3-29.7173.8-68.2176.5-178.300112.7N56 F57N56-E60 PolarHBondContact O-N 3.29Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 3.39Å
61L78Confident86.6Confident119 Ų11967.5 Ų67.562%0.62335%0.346SS*.THydrogen-bonded Turntrans-88-4.4176.4-61.5176.8000113.5F57 F58 L59F57-L61 HydrophobicContact CD1-CD1 4.13Å; F57-L61 HydrophobicContact CE1-CD1 3.55Å; F57-L61 HydrophobicContact CZ-CD1 3.94Å; F57-L61 PolarHBondContact O-N 3.33Å; F58-L61 HydrophobicContact CD1-CD1 4.16Å; F58-L61 CarbonylContact O-C 3.53Å; F58-L61 PolarHBondContact O-N 2.89Å; L59-L61 PolarHBondContact O-N 3.44Å
62S79.8Confident87Confident37 Ų3763.8 Ų63.826%0.25933%0.332SS..SBendtrans-75.1148.8-176.873.90000111.6F58 L59F58-S62 PolarHBondContact O-N 3.07Å; F58-S62 VanDerWaalsContact O-N 3.1Å; L59-S62 WeakPolarHBondContact O-CB 3.27Å; L59-S62 PolarHBondContact O-N 2.87Å; L59-S62 PolarHBondContact O-OG 3.39Å
63T82.9Confident87.3Confident51 Ų5167.8 Ų67.831%0.31334%0.341SS..PPolyproline II helixtrans-62.5143.2174.750.30000109.8N94T63-N94 PolarHBondContact OG1-OD1 3.39Å
64P86.7Confident87.6Confident93 Ų9369.1 Ų69.160%0.60435%0.35SS*.PPolyproline II helixtrans-52.9144174.1-26.534.3000111R66P64-R66 PolarHBondContact O-N 3.24Å
65P92.3Very high87.7Confident26 Ų2669.4 Ų69.417%0.16935%0.353CS..PPolyproline II helixtrans-58.9140.1176.528.4-36.1000109.5I91 V92 P143 I241P65-I91 WeakPolarHBondContact CA-O 3.47Å; P65-V92 HydrophobicContact CB-CG2 4.18Å; P65-P143 HydrophobicContact CB-CG 4.16Å; P65-P143 WeakPolarHBondContact O-CD 3.5Å; P65-I241 HydrophobicContact CB-CD1 3.9Å; P65-I241 HydrophobicContact CB-CG2 4.15Å; P65-I241 HydrophobicContact CG-CD1 4.44Å; P65-I241 HydrophobicContact CG-CG2 3.96Å
66R95.8Very high87.7Confident89 Ų8973.8 Ų73.834%0.33636%0.361SS..EExtended strand (participates in β ladder)trans-141.4141.7178.465.5-178.3179.9-133.2-0.6111.8P64 S68 S90 I91 Q141P64-R66 PolarHBondContact O-N 3.24Å; R66-S68 PolarHBondContact O-N 2.84Å; R66-S90 CarbonylContact O-C 3.44Å; R66-S90 WeakPolarHBondContact O-CA 3.32Å; R66-S90 WeakPolarHBondContact O-CB 3.22Å; R66-I91 HydrophobicContact CG-CB 4.05Å; R66-I91 HydrophobicContact CG-CD1 4.43Å; R66-I91 PolarHBondContact N-O 2.95Å; R66-I91 PolarHBondContact O-N 3.06Å; R66-Q141 CarbonylContact C-O 3.59Å; R66-Q141 VanDerWaalsContact CA-O 3.29Å; R66-Q141 WeakPolarHBondContact CA-O 3.39Å
67I96.8Very high87.4Confident2 Ų269.1 Ų69.11%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-65.7127.4175-63.1171.8000108.5L70 V88 F89 L138 N140 Q141 P143 I149 V234I67-L70 HydrophobicContact CG2-CD2 4.18Å; I67-L70 HydrophobicContact CG2-CG 4.38Å; I67-V88 HydrophobicContact CG1-CG1 4.39Å; I67-F89 WeakPolarHBondContact CA-O 3.45Å; I67-L138 WeakPolarHBondContact CB-O 3.32Å; I67-L138 HydrophobicContact CD1-CB 4.24Å; I67-N140 WeakPolarHBondContact O-CA 3.25Å; I67-N140 PolarHBondContact O-N 3.03Å; I67-Q141 PolarHBondContact N-O 3.42Å; I67-P143 HydrophobicContact CD1-CB 4.3Å; I67-P143 HydrophobicContact CG1-CB 3.94Å; I67-P143 HydrophobicContact CG1-CG 4.38Å; I67-I149 HydrophobicContact CD1-CD1 3.77Å; I67-V234 HydrophobicContact CD1-CG2 4.16Å
68S96.3Very high86.7Confident19 Ų1968.4 Ų68.413%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-108.2-30.6179.357.70000113R66 F89 E96 L139R66-S68 PolarHBondContact O-N 2.84Å; S68-F89 PolarHBondContact N-O 3.42Å; S68-F89 PolarHBondContact OG-O 3.22Å; S68-E96 VanDerWaalsContact CB-OE1 3.25Å; S68-E96 WeakPolarHBondContact CB-OE1 3.43Å; S68-E96 PolarHBondContact OG-OE1 3.48Å; S68-L139 WeakPolarHBondContact O-CD1 3.29Å
69D96.7Very high86.1Confident11 Ų1163.8 Ų63.86%0.05932%0.316CS..EExtended strand (participates in β ladder)trans-156.2154.4-177.9-154.722.7000111.2R71 F89 R135D69-R71 IonicContact OD2-CZ 3.64Å; D69-R71 IonicContact OD2-NE 3.59Å; D69-R71 PolarHBondContact OD2-NE 3.34Å; D69-R71 IonicContact OD2-NH2 3.61Å; D69-R71 PolarHBondContact OD2-NH2 2.93Å; D69-R71 VanDerWaalsContact OD2-NH2 3.09Å; D69-F89 HydrophobicContact CB-CB 3.82Å; D69-F89 HydrophobicContact CB-CD2 4.06Å; D69-F89 HydrophobicContact CB-CG 4.13Å; D69-F89 PolarHBondContact N-O 3.44Å; D69-F89 PolarHBondContact O-N 2.89Å; D69-R135 IonicContact OD1-CZ 2.75Å; D69-R135 IonicContact OD1-NE 3.25Å; D69-R135 PolarHBondContact OD1-NE 3.36Å; D69-R135 IonicContact OD1-NH2 2.79Å; D69-R135 PolarHBondContact OD1-NH2 3.26Å; D69-R135 IonicContact OD2-NH2 2.7Å
70L96.4Very high85.9Confident2 Ų261.3 Ų61.31%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-130.1133.9170.3-63.7177.8000108.6I67 V88 I130 F134 L138 V230I67-L70 HydrophobicContact CG2-CD2 4.18Å; I67-L70 HydrophobicContact CG2-CG 4.38Å; L70-V88 HydrophobicContact CD2-CB 4.23Å; L70-V88 HydrophobicContact CD2-CG1 4.21Å; L70-V88 HydrophobicContact CD2-CG2 3.73Å; L70-I130 HydrophobicContact CB-CG2 4.18Å; L70-F134 HydrophobicContact CD1-CB 4.02Å; L70-L138 HydrophobicContact CD1-CB 4.31Å; L70-L138 HydrophobicContact CD1-CD1 3.97Å; L70-V230 HydrophobicContact CD1-CG1 4.43Å
71R95.1Very high85.9Confident123 Ų12354.2 Ų54.246%0.46428%0.28SS..EExtended strand (participates in β ladder)trans-131.3113.8178.6-61.3-173.5-170.9173.45110.6D69 E87 F89D69-R71 IonicContact OD2-CZ 3.64Å; D69-R71 IonicContact OD2-NE 3.59Å; D69-R71 PolarHBondContact OD2-NE 3.34Å; D69-R71 IonicContact OD2-NH2 3.61Å; D69-R71 PolarHBondContact OD2-NH2 2.93Å; D69-R71 VanDerWaalsContact OD2-NH2 3.09Å; R71-E87 PolarHBondContact N-O 2.62Å; R71-E87 PolarHBondContact O-N 3.41Å; R71-F89 HydrophobicContact CB-CE2 4.24Å; R71-F89 HydrophobicContact CG-CD2 4.35Å; R71-F89 HydrophobicContact CG-CE2 3.84Å
72G93.1Very high86.1Confident11 Ų1149.6 Ų49.611%0.11326%0.255CS..EExtended strand (participates in β ladder)trans-82.914516600000111.3E85 L127 H131G72-E85 CarbonylContact C-O 3.54Å; G72-E85 WeakPolarHBondContact CA-O 3.45Å; G72-L127 VanDerWaalsContact C-CD2 3.47Å; G72-H131 PolarHBondContact N-NE2 3.48Å; G72-H131 VanDerWaalsContact N-NE2 3.11Å; G72-H131 PolarHBondContact O-CE1 3.49Å; G72-H131 PolarHBondContact O-NE2 3.5Å
73R91.9Very high86.3Confident103 Ų10348.1 Ų48.139%0.38924%0.244SC..EExtended strand (participates in β ladder)trans-136.5149.9167.159.1176.4172.5-109.43.2110.6V75 E85 E87R73-V75 HydrophobicContact CG-CG1 4.12Å; R73-E85 HydrophobicContact CG-CB 4.04Å; R73-E85 IonicContact CZ-OE1 3.19Å; R73-E85 IonicContact CZ-OE2 3.75Å; R73-E85 PolarHBondContact N-O 3.28Å; R73-E85 IonicContact NE-OE2 2.75Å; R73-E85 PolarHBondContact NE-OE2 3.16Å; R73-E85 IonicContact NH2-OE1 2.84Å; R73-E85 PolarHBondContact NH2-OE1 3.42Å; R73-E85 IonicContact NH2-OE2 3.81Å; R73-E85 PolarHBondContact NH2-OE2 3.43Å; R73-E85 PolarHBondContact O-N 3.29Å; R73-E87 IonicContact NH1-OE2 2.77Å; R73-E87 PolarHBondContact NH1-OE2 3.37Å
74E90.9Very high86.6Confident111 Ų11145.7 Ų45.752%0.51923%0.23SC..EExtended strand (participates in β ladder)trans-74.8130.9171.3-62.3179.2-172.700109.6L82 V123 L127E74-L82 HydrophobicContact CB-CD1 3.96Å; E74-V123 HydrophobicContact CG-CG1 3.92Å; E74-L127 HydrophobicContact CG-CD1 3.54Å
75V86.7Confident86.7Confident36 Ų3643 Ų4322%0.21821%0.209CC..EExtended strand (participates in β ladder)trans-134.5159.6171.5-57.80000109.8R73 I83 E85R73-V75 HydrophobicContact CG-CG1 4.12Å; V75-I83 HydrophobicContact CG2-CD1 3.77Å; V75-I83 HydrophobicContact CG2-CG1 3.31Å; V75-I83 PolarHBondContact N-O 3.14Å; V75-I83 WeakPolarHBondContact O-CG1 3.42Å; V75-I83 PolarHBondContact O-N 3.12Å; V75-E85 HydrophobicContact CG1-CB 3.96Å; V75-E85 HydrophobicContact CG2-CB 3.94Å
76F82.5Confident86.7Confident151 Ų15141.8 Ų41.866%0.66220%0.201SC*.EExtended strand (participates in β ladder)trans-98.1131.6175-71-81.4000110.5Q81 L82F76-Q81 WeakPolarHBondContact CA-O 3.44Å; F76-L82 HydrophobicContact CD1-CD1 4.3Å; F76-L82 HydrophobicContact CE1-CD1 3.84Å; F76-L82 HydrophobicContact CE2-CD1 4.28Å; F76-L82 HydrophobicContact CZ-CD1 3.83Å
77S75.6Confident86.7Confident7 Ų739.3 Ų39.35%0.04919%0.193CC..  trans-63157.4164143.60000111.6N79 G80 Q81 S493S77-N79 PolarHBondContact O-N 3.23Å; S77-N79 PolarHBondContact OG-N 2.9Å; S77-N79 VanDerWaalsContact OG-N 3.09Å; S77-G80 PolarHBondContact O-N 3.06Å; S77-Q81 WeakPolarHBondContact CB-O 3.41Å; S77-Q81 PolarHBondContact N-O 2.99Å; S77-S493 WeakPolarHBondContact CB-OG 3.39Å; S77-S493 WeakPolarHBondContact OG-CB 3.39Å; S77-S493 PolarHBondContact OG-OG 3.48Å
78E68.5Low86.6Confident71 Ų7139.2 Ų39.233%0.33219%0.193SC..THydrogen-bonded Turntrans-56.6-22.9172.5-80.9-172.9175.500113.6G80 G518 A519 E520E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.31Å; E78-G518 WeakPolarHBondContact OE2-CA 3.33Å; E78-A519 WeakPolarHBondContact OE1-CA 3.48Å; E78-A519 WeakPolarHBondContact OE1-CB 3.34Å; E78-A519 PolarHBondContact OE1-N 2.98Å; E78-A519 PolarHBondContact OE2-N 3.38Å; E78-E520 HydrophobicContact CB-CG 4.5Å; E78-E520 WeakPolarHBondContact CB-OE2 3.28Å; E78-E520 VanDerWaalsContact CD-CG 3.43Å; E78-E520 HydrophobicContact CG-CB 4.43Å; E78-E520 HydrophobicContact CG-CG 3.68Å; E78-E520 WeakPolarHBondContact CG-OE2 3.49Å; E78-E520 PolarHBondContact N-OE1 3.39Å; E78-E520 WeakPolarHBondContact OE1-CG 3.46Å; E78-E520 PolarHBondContact OE1-N 3.49Å
79N68.3Low86.6Confident26 Ų2639.5 Ų39.514%0.13919%0.191CC..THydrogen-bonded Turntrans-85.44.1176-72.7-45.6000114.2S77 Q81 F108 V111 H331S77-N79 PolarHBondContact O-N 3.23Å; S77-N79 PolarHBondContact OG-N 2.9Å; S77-N79 VanDerWaalsContact OG-N 3.09Å; N79-Q81 PolarHBondContact O-N 3.26Å; N79-F108 HydrophobicContact CB-CD2 4.48Å; N79-F108 HydrophobicContact CB-CE2 4.11Å; N79-V111 WeakPolarHBondContact O-CG2 3.43Å; N79-H331 VanDerWaalsContact CG-NE2 3.35Å; N79-H331 PolarHBondContact ND2-CE1 2.92Å; N79-H331 PolarHBondContact ND2-NE2 2.98Å; N79-H331 PolarHBondContact OD1-CD2 2.92Å; N79-H331 PolarHBondContact OD1-CE1 3.29Å; N79-H331 PolarHBondContact OD1-ND1 3.46Å; N79-H331 PolarHBondContact OD1-NE2 2.94Å
80G74.7Confident86.6Confident41 Ų4139 Ų3942%0.42319%0.189SC..SBendtrans73.117-176.300000113.4S77 E78S77-G80 PolarHBondContact O-N 3.06Å; E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.31Å
81Q75.5Confident86.5Confident10 Ų1040.5 Ų40.55%0.04720%0.196CC..  trans-82142.4174.2-74.3170.9-18.900110.8F76 S77 N79 I83 F108 A109F76-Q81 WeakPolarHBondContact CA-O 3.44Å; S77-Q81 WeakPolarHBondContact CB-O 3.41Å; S77-Q81 PolarHBondContact N-O 2.99Å; N79-Q81 PolarHBondContact O-N 3.26Å; Q81-I83 HydrophobicContact CB-CG2 4.45Å; Q81-F108 VanDerWaalsContact NE2-CA 3.27Å; Q81-A109 PolarHBondContact NE2-O 2.88Å
82L81.9Confident86.2Confident22 Ų2235.7 Ų35.712%0.11518%0.181CC..EExtended strand (participates in β ladder)trans-77.7127.8172.4-162.268.9000108.9E74 F76 N119 V123E74-L82 HydrophobicContact CB-CD1 3.96Å; F76-L82 HydrophobicContact CD1-CD1 4.3Å; F76-L82 HydrophobicContact CE1-CD1 3.84Å; F76-L82 HydrophobicContact CE2-CD1 4.28Å; F76-L82 HydrophobicContact CZ-CD1 3.83Å; L82-N119 PolarHBondContact O-ND2 2.58Å; L82-V123 HydrophobicContact CB-CG2 4.15Å; L82-V123 HydrophobicContact CD2-CB 3.98Å; L82-V123 HydrophobicContact CD2-CG1 3.75Å; L82-V123 HydrophobicContact CD2-CG2 4.13Å; L82-V123 HydrophobicContact CG-CB 4.35Å; L82-V123 HydrophobicContact CG-CG1 3.98Å; L82-V123 HydrophobicContact CG-CG2 4.04Å; L82-V123 WeakPolarHBondContact O-CG2 3.29Å
83I84.4Confident85.8Confident6 Ų637.7 Ų37.73%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-135.7167.8-178.976.4174.7000109.8V75 Q81 A103 V105 S493V75-I83 HydrophobicContact CG2-CD1 3.77Å; V75-I83 HydrophobicContact CG2-CG1 3.31Å; V75-I83 PolarHBondContact N-O 3.14Å; V75-I83 WeakPolarHBondContact O-CG1 3.42Å; V75-I83 PolarHBondContact O-N 3.12Å; Q81-I83 HydrophobicContact CB-CG2 4.45Å; I83-A103 HydrophobicContact CD1-CB 4.05Å; I83-V105 HydrophobicContact CB-CG2 3.51Å; I83-V105 HydrophobicContact CD1-CG2 4.27Å; I83-V105 HydrophobicContact CG1-CG2 4.44Å; I83-V105 HydrophobicContact CG2-CB 4.21Å; I83-V105 HydrophobicContact CG2-CG1 4.26Å; I83-V105 HydrophobicContact CG2-CG2 3.43Å; I83-V105 VanDerWaalsContact CG2-CG2 3.43Å; I83-S493 VanDerWaalsContact CD1-O 3.22Å; I83-S493 WeakPolarHBondContact CD1-O 3.47Å
84V87.7Confident85.4Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-106128.1177.5-178.30000110.9V86 A103 V123 A126 L127 I130 M225V84-V86 HydrophobicContact CG1-CG2 4.12Å; V84-A103 WeakPolarHBondContact O-CB 3.4Å; V84-V123 HydrophobicContact CG2-CB 4.44Å; V84-V123 HydrophobicContact CG2-CG1 3.81Å; V84-A126 HydrophobicContact CG2-CB 3.93Å; V84-L127 HydrophobicContact CG1-CD2 3.8Å; V84-L127 HydrophobicContact CG2-CD2 4.26Å; V84-L127 HydrophobicContact CG2-CG 4.15Å; V84-I130 HydrophobicContact CG1-CD1 3.39Å; V84-M225 HydrophobicContact CG2-CE 4.32Å; V84-M225 HydrophobicContact CG2-SD 4.16Å
85E90.2Very high85.1Confident36 Ų3639.8 Ų39.817%0.16821%0.208CC..EExtended strand (participates in β ladder)trans-104.9130.1165.6-172.4-176.3-17300109.7G72 R73 V75 S101 A102 A103G72-E85 CarbonylContact C-O 3.54Å; G72-E85 WeakPolarHBondContact CA-O 3.45Å; R73-E85 HydrophobicContact CG-CB 4.04Å; R73-E85 IonicContact CZ-OE1 3.19Å; R73-E85 IonicContact CZ-OE2 3.75Å; R73-E85 PolarHBondContact N-O 3.28Å; R73-E85 IonicContact NE-OE2 2.75Å; R73-E85 PolarHBondContact NE-OE2 3.16Å; R73-E85 IonicContact NH2-OE1 2.84Å; R73-E85 PolarHBondContact NH2-OE1 3.42Å; R73-E85 IonicContact NH2-OE2 3.81Å; R73-E85 PolarHBondContact NH2-OE2 3.43Å; R73-E85 PolarHBondContact O-N 3.29Å; V75-E85 HydrophobicContact CG1-CB 3.96Å; V75-E85 HydrophobicContact CG2-CB 3.94Å; E85-S101 WeakPolarHBondContact OE1-CB 3.33Å; E85-S101 PolarHBondContact OE1-OG 3.14Å; E85-A102 WeakPolarHBondContact CA-O 3.29Å; E85-A103 HydrophobicContact CB-CB 4.19Å; E85-A103 HydrophobicContact CG-CB 4.37Å
86V92.4Very high85.3Confident0 Ų043.4 Ų43.40%022%0.223CC..EExtended strand (participates in β ladder)trans-108.2128.6-178.4-1780000109.8V84 S101 A102 I130 V230V84-V86 HydrophobicContact CG1-CG2 4.12Å; V86-S101 CarbonylContact O-C 3.28Å; V86-S101 WeakPolarHBondContact O-CA 3.37Å; V86-S101 WeakPolarHBondContact O-CB 3.17Å; V86-A102 PolarHBondContact N-O 2.89Å; V86-A102 PolarHBondContact O-N 3.21Å; V86-I130 HydrophobicContact CG1-CG2 4.42Å; V86-I130 HydrophobicContact CG2-CD1 3.54Å; V86-I130 HydrophobicContact CG2-CG1 4.16Å; V86-V230 HydrophobicContact CB-CG2 4.49Å; V86-V230 HydrophobicContact CG1-CG2 3.83Å; V86-V230 HydrophobicContact CG2-CG2 4.13Å
87E94.7Very high85.7Confident38 Ų3840.8 Ų40.818%0.17821%0.211CC..EExtended strand (participates in β ladder)trans-108.5131.1172.6-170.4174.3176.300111R71 R73 F89 S98 S100R71-E87 PolarHBondContact N-O 2.62Å; R71-E87 PolarHBondContact O-N 3.41Å; R73-E87 IonicContact NH1-OE2 2.77Å; R73-E87 PolarHBondContact NH1-OE2 3.37Å; E87-F89 HydrophobicContact CB-CE2 4.23Å; E87-F89 HydrophobicContact CG-CD2 4.5Å; E87-F89 HydrophobicContact CG-CE2 3.76Å; E87-F89 HydrophobicContact CG-CZ 4.06Å; E87-F89 WeakPolarHBondContact OE1-CZ 3.25Å; E87-S98 VanDerWaalsContact OE1-CB 3.31Å; E87-S98 WeakPolarHBondContact OE1-CB 3.41Å; E87-S98 PolarHBondContact OE1-OG 3.44Å; E87-S100 WeakPolarHBondContact CA-O 3.32Å
88V95.8Very high86.5Confident0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-103.6128.5-179.3177.90000110.1I67 L70 M99 S100 A233 V234 S237I67-V88 HydrophobicContact CG1-CG1 4.39Å; L70-V88 HydrophobicContact CD2-CB 4.23Å; L70-V88 HydrophobicContact CD2-CG1 4.21Å; L70-V88 HydrophobicContact CD2-CG2 3.73Å; V88-M99 WeakPolarHBondContact O-CB 3.31Å; V88-M99 PolarHBondContact O-N 3.37Å; V88-S100 PolarHBondContact N-O 2.83Å; V88-A233 HydrophobicContact CG2-CB 3.58Å; V88-V234 HydrophobicContact CG2-CG2 4.15Å; V88-S237 WeakPolarHBondContact CB-OG 3.05Å
89F96.6Very high87.5Confident24 Ų2440 Ų4011%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-107.7139.7171.1-63.3-101.2000109.8I67 S68 D69 R71 E87 E96 K97I67-F89 WeakPolarHBondContact CA-O 3.45Å; S68-F89 PolarHBondContact N-O 3.42Å; S68-F89 PolarHBondContact OG-O 3.22Å; D69-F89 HydrophobicContact CB-CB 3.82Å; D69-F89 HydrophobicContact CB-CD2 4.06Å; D69-F89 HydrophobicContact CB-CG 4.13Å; D69-F89 PolarHBondContact N-O 3.44Å; D69-F89 PolarHBondContact O-N 2.89Å; R71-F89 HydrophobicContact CB-CE2 4.24Å; R71-F89 HydrophobicContact CG-CD2 4.35Å; R71-F89 HydrophobicContact CG-CE2 3.84Å; E87-F89 HydrophobicContact CB-CE2 4.23Å; E87-F89 HydrophobicContact CG-CD2 4.5Å; E87-F89 HydrophobicContact CG-CE2 3.76Å; E87-F89 HydrophobicContact CG-CZ 4.06Å; E87-F89 WeakPolarHBondContact OE1-CZ 3.25Å; F89-E96 HydrophobicContact CB-CG 4.44Å; F89-K97 WeakPolarHBondContact CA-O 3.31Å
90S95.4Very high88.5Confident0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-139.1147.3177.3-570000111.4R66 V92 E96 K97R66-S90 CarbonylContact O-C 3.44Å; R66-S90 WeakPolarHBondContact O-CA 3.32Å; R66-S90 WeakPolarHBondContact O-CB 3.22Å; S90-V92 PolarHBondContact O-N 3.04Å; S90-E96 WeakPolarHBondContact O-CA 3.37Å; S90-K97 PolarHBondContact N-O 2.97Å; S90-K97 PolarHBondContact O-N 2.95Å
91I93.8Very high89Confident34 Ų3439 Ų3917%0.17420%0.201CC..EExtended strand (participates in β ladder)trans-82.8112.1167.2-66.2161.6000107.3P65 R66 K95 E96P65-I91 WeakPolarHBondContact CA-O 3.47Å; R66-I91 HydrophobicContact CG-CB 4.05Å; R66-I91 HydrophobicContact CG-CD1 4.43Å; R66-I91 PolarHBondContact N-O 2.95Å; R66-I91 PolarHBondContact O-N 3.06Å; I91-K95 WeakPolarHBondContact CA-O 3.22Å; I91-E96 HydrophobicContact CG1-CB 4.33Å
92V89.1Confident89.3Confident22 Ų2238.7 Ų38.713%0.13320%0.2CC..EExtended strand (participates in β ladder)trans-125.4124.5177.6-174.90000108.1P65 S90 N94 K95 M99 I241P65-V92 HydrophobicContact CB-CG2 4.18Å; S90-V92 PolarHBondContact O-N 3.04Å; V92-N94 VanDerWaalsContact C-N 3.3Å; V92-N94 PolarHBondContact O-N 3.42Å; V92-K95 PolarHBondContact N-O 2.87Å; V92-K95 PolarHBondContact O-N 2.82Å; V92-K95 VanDerWaalsContact O-N 3.16Å; V92-M99 HydrophobicContact CG2-CE 4.14Å; V92-M99 HydrophobicContact CG2-SD 3.99Å; V92-I241 HydrophobicContact CG2-CD1 4.2Å; V92-I241 HydrophobicContact CG2-CG1 4.07Å
93C84.9Confident89.3Confident53 Ų5338.1 Ų38.136%0.35820%0.198SC..THydrogen-bonded Turntrans53.746-172.1-500000112.1L59 K95L59-C93 VanDerWaalsContact CD1-SG 3.57Å; C93-K95 PolarHBondContact O-N 3.22Å; C93-K95 VanDerWaalsContact O-N 3.1Å
94N82.9Confident88.7Confident113 Ų11338 Ų3860%0.60420%0.198SC*.THydrogen-bonded Turntrans58.119.1-177.5-59-35.8000115.3T63 V92T63-N94 PolarHBondContact OG1-OD1 3.39Å; V92-N94 VanDerWaalsContact C-N 3.3Å; V92-N94 PolarHBondContact O-N 3.42Å
95K85.7Confident87.7Confident146 Ų14638.6 Ų38.664%0.63520%0.202SC*.EExtended strand (participates in β ladder)trans-122.7128.2173.8-67.9-176.5-180179.20109.8I91 V92 C93I91-K95 WeakPolarHBondContact CA-O 3.22Å; V92-K95 PolarHBondContact N-O 2.87Å; V92-K95 PolarHBondContact O-N 2.82Å; V92-K95 VanDerWaalsContact O-N 3.16Å; C93-K95 PolarHBondContact O-N 3.22Å; C93-K95 VanDerWaalsContact O-N 3.1Å
96E91.4Very high86.1Confident112 Ų11236.9 Ų36.952%0.52319%0.194SC..EExtended strand (participates in β ladder)trans-67.3133.5168.6-176.4168.2-122.500109.9S68 F89 S90 I91S68-E96 VanDerWaalsContact CB-OE1 3.25Å; S68-E96 WeakPolarHBondContact CB-OE1 3.43Å; S68-E96 PolarHBondContact OG-OE1 3.48Å; F89-E96 HydrophobicContact CB-CG 4.44Å; S90-E96 WeakPolarHBondContact O-CA 3.37Å; I91-E96 HydrophobicContact CG1-CB 4.33Å
97K90.1Very high84.4Confident95 Ų9538.6 Ų38.641%0.41320%0.201SC..EExtended strand (participates in β ladder)trans-140.6143.3-180-64179-173.5173.50109.5F89 S90 M99F89-K97 WeakPolarHBondContact CA-O 3.31Å; S90-K97 PolarHBondContact N-O 2.97Å; S90-K97 PolarHBondContact O-N 2.95Å; K97-M99 HydrophobicContact CB-SD 3.82Å; K97-M99 PolarHBondContact O-N 3.07Å
98S91.9Very high82.2Confident51 Ų5141.7 Ų41.736%0.35721%0.214SC..EExtended strand (participates in β ladder)trans-69.7121.2161.4169.50000108.8E87 K240E87-S98 VanDerWaalsContact OE1-CB 3.31Å; E87-S98 WeakPolarHBondContact OE1-CB 3.41Å; E87-S98 PolarHBondContact OE1-OG 3.44Å; S98-K240 PolarHBondContact O-NZ 2.93Å; S98-K240 VanDerWaalsContact O-NZ 3.16Å
99M90.6Very high79.8Confident12 Ų1242.5 Ų42.56%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-92.7-61.5-172.4-59.9-52.1-59.500110V88 V92 K97 S237 K240 I241V88-M99 WeakPolarHBondContact O-CB 3.31Å; V88-M99 PolarHBondContact O-N 3.37Å; V92-M99 HydrophobicContact CG2-CE 4.14Å; V92-M99 HydrophobicContact CG2-SD 3.99Å; K97-M99 HydrophobicContact CB-SD 3.82Å; K97-M99 PolarHBondContact O-N 3.07Å; M99-S237 WeakPolarHBondContact CB-OG 3.01Å; M99-K240 HydrophobicContact CE-CB 4.41Å; M99-K240 HydrophobicContact CE-CD 4.14Å; M99-K240 HydrophobicContact CE-CG 4.3Å; M99-K240 WeakPolarHBondContact O-CD 3.45Å; M99-K240 WeakPolarHBondContact O-CE 3.4Å; M99-K240 PolarHBondContact O-NZ 2.94Å; M99-I241 HydrophobicContact CE-CD1 3.85Å; M99-I241 HydrophobicContact CE-CG1 3.3Å
100S88.5Confident77.1Confident17 Ų1744 Ų4412%0.11923%0.234CC..EExtended strand (participates in β ladder)trans-162.4165.2-179.345.70000111.2E87 V88 A233 K236 S237E87-S100 WeakPolarHBondContact CA-O 3.32Å; V88-S100 PolarHBondContact N-O 2.83Å; S100-A233 PolarHBondContact OG-O 2.55Å; S100-K236 VanDerWaalsContact OG-CB 3.28Å; S100-K236 WeakPolarHBondContact OG-CB 3.45Å; S100-S237 PolarHBondContact OG-N 3.36Å; S100-S237 VanDerWaalsContact OG-N 3.09Å; S100-S237 PolarHBondContact OG-OG 3.22Å
101S85.4Confident74.6Confident29 Ų2948.6 Ų48.620%0.20326%0.261CS..EExtended strand (participates in β ladder)trans-123.215616663.80000112.3E85 V86 K236E85-S101 WeakPolarHBondContact OE1-CB 3.33Å; E85-S101 PolarHBondContact OE1-OG 3.14Å; V86-S101 CarbonylContact O-C 3.28Å; V86-S101 WeakPolarHBondContact O-CA 3.37Å; V86-S101 WeakPolarHBondContact O-CB 3.17Å; S101-K236 PolarHBondContact O-NZ 2.99Å
102A82.7Confident72Confident2 Ų250.4 Ų50.42%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-150.4153.6172.400000111.2E85 V86 L232 A233 K236E85-A102 WeakPolarHBondContact CA-O 3.29Å; V86-A102 PolarHBondContact N-O 2.89Å; V86-A102 PolarHBondContact O-N 3.21Å; A102-L232 HydrophobicContact CB-CB 3.96Å; A102-L232 HydrophobicContact CB-CD2 3.97Å; A102-L232 HydrophobicContact CB-CG 3.8Å; A102-A233 HydrophobicContact CB-CB 3.86Å; A102-K236 HydrophobicContact CB-CD 4.3Å
103A80.8Confident70Confident10 Ų1052.3 Ų52.38%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-134137.3171.900000108.3I83 V84 E85 S494I83-A103 HydrophobicContact CD1-CB 4.05Å; V84-A103 WeakPolarHBondContact O-CB 3.4Å; E85-A103 HydrophobicContact CB-CB 4.19Å; E85-A103 HydrophobicContact CG-CB 4.37Å; A103-S494 VanDerWaalsContact O-CB 3.25Å; A103-S494 WeakPolarHBondContact O-CB 3.24Å
104V72.3Confident68.4Low5 Ų557.2 Ų57.23%0.0332%0.317CS..  trans-128.8121.9179.8173.60000108.5M225 S229 L232 H461V104-M225 WeakPolarHBondContact O-CB 3.47Å; V104-S229 PolarHBondContact N-OG 3Å; V104-L232 HydrophobicContact CG2-CB 4.33Å; V104-L232 HydrophobicContact CG2-CD2 3.96Å; V104-H461 WeakPolarHBondContact CG1-CE1 3.15Å; V104-H461 WeakPolarHBondContact CG1-ND1 3.25Å; V104-H461 VanDerWaalsContact CG2-CE1 3.45Å; V104-H461 WeakPolarHBondContact CG2-CE1 3.18Å
105V66.9Low67Low12 Ų1256.7 Ų56.77%0.07331%0.312CS..  trans-143.9126.5174.1173.80000111I83 N463 E492I83-V105 HydrophobicContact CB-CG2 3.51Å; I83-V105 HydrophobicContact CD1-CG2 4.27Å; I83-V105 HydrophobicContact CG1-CG2 4.44Å; I83-V105 HydrophobicContact CG2-CB 4.21Å; I83-V105 HydrophobicContact CG2-CG1 4.26Å; I83-V105 HydrophobicContact CG2-CG2 3.43Å; I83-V105 VanDerWaalsContact CG2-CG2 3.43Å; V105-N463 WeakPolarHBondContact CA-OD1 3.43Å; V105-E492 VanDerWaalsContact O-CG 3.28Å; V105-E492 WeakPolarHBondContact O-CG 3.45Å
106S55.9Low65.6Low0 Ų052.1 Ų52.10%030%0.298CS..  trans-111.1-12-178.9-179.80000114H461 N463S106-H461 VanDerWaalsContact CB-O 3.31Å; S106-H461 WeakPolarHBondContact CB-O 3.2Å; S106-N463 WeakPolarHBondContact CB-OD1 3.47Å; S106-N463 PolarHBondContact N-OD1 2.94Å
107H56.4Low63.9Low35 Ų3552.7 Ų52.716%0.16230%0.301CS..  trans-122139.1-170.7-78.3-62.9000114.4L220 H444H107-L220 WeakPolarHBondContact CE1-CD1 3.34Å; H107-L220 WeakPolarHBondContact NE2-CD1 3.5Å; H107-H444 AromaticContact CE1-CE1 3.52Å; H107-H444 AromaticContact CE1-NE2 3.7Å; H107-H444 AromaticContact NE2-CE1 3.31Å; H107-H444 PolarHBondContact NE2-CE1 2.75Å; H107-H444 VanDerWaalsContact NE2-CE1 3.31Å; H107-H444 AromaticContact NE2-NE2 3.97Å
108F49.5Very low62.6Low103 Ų10355.2 Ų55.245%0.45231%0.308SS..  trans-110123.8179.1-179.3-88.2000111N79 Q81 P110N79-F108 HydrophobicContact CB-CD2 4.48Å; N79-F108 HydrophobicContact CB-CE2 4.11Å; Q81-F108 VanDerWaalsContact NE2-CA 3.27Å; F108-P110 HydrophobicContact CE1-CB 4.18Å; F108-P110 HydrophobicContact CE1-CG 3.99Å
109A44.4Very low61.7Low17 Ų1753.7 Ų53.714%0.1430%0.295CS..  trans-110.713216000000110.1Q81 V111 E115Q81-A109 PolarHBondContact NE2-O 2.88Å; A109-V111 PolarHBondContact O-N 3.33Å; A109-E115 HydrophobicContact CB-CB 3.8Å
110P41.5Very low61.2Low57 Ų5755.2 Ų55.237%0.3731%0.307SS..  trans-61.6131.8178.5-14.826.7000112F108 G112 T113 E115F108-P110 HydrophobicContact CE1-CB 4.18Å; F108-P110 HydrophobicContact CE1-CG 3.99Å; P110-G112 PolarHBondContact O-N 3Å; P110-T113 HydrophobicContact CB-CG2 4.14Å; P110-T113 PolarHBondContact O-OG1 3.24Å; P110-E115 VanDerWaalsContact CD-OE2 3.23Å; P110-E115 WeakPolarHBondContact CD-OE2 3.49Å
111V41.2Very low60.9Low96 Ų9658.1 Ų58.158%0.58232%0.321SS*.THydrogen-bonded Turntrans-58.5132.6178.7-1790000110.8N79 A109N79-V111 WeakPolarHBondContact O-CG2 3.43Å; A109-V111 PolarHBondContact O-N 3.33Å
112G40.8Very low60.9Low72 Ų7258.9 Ų58.974%0.74232%0.321SS*.THydrogen-bonded Turntrans89.411.3175.500000116.2P110P110-G112 PolarHBondContact O-N 3Å
113T46.6Very low61.2Low61 Ų6158.8 Ų58.837%0.37432%0.321SS..SBendtrans-101.8169.2175.160.80000111.7P110 E115 S116P110-T113 HydrophobicContact CB-CG2 4.14Å; P110-T113 PolarHBondContact O-OG1 3.24Å; T113-E115 PolarHBondContact O-N 3.14Å; T113-E115 VanDerWaalsContact O-N 3.1Å; T113-E115 WeakPolarHBondContact OG1-CB 3.32Å; T113-E115 PolarHBondContact OG1-N 2.9Å; T113-S116 WeakPolarHBondContact O-CB 3.26Å; T113-S116 PolarHBondContact O-N 3.31Å
114E51.4Low61.7Low156 Ų15663.3 Ų63.373%0.72934%0.34SS*.Hα-helixtrans-54.4-25.2169.6-70.5-171.7172.200112.6S116 Q117 R118E114-S116 VanDerWaalsContact C-N 3.3Å; E114-S116 PolarHBondContact O-N 3.46Å; E114-Q117 PolarHBondContact O-N 3.49Å; E114-R118 PolarHBondContact O-N 3.47Å
115E53.5Low62.6Low103 Ų10364.8 Ų64.848%0.48135%0.349SS..Hα-helixtrans-68.9-26.9174-60-179.515600112.6A109 P110 T113 R118 N119A109-E115 HydrophobicContact CB-CB 3.8Å; P110-E115 VanDerWaalsContact CD-OE2 3.23Å; P110-E115 WeakPolarHBondContact CD-OE2 3.49Å; T113-E115 PolarHBondContact O-N 3.14Å; T113-E115 VanDerWaalsContact O-N 3.1Å; T113-E115 WeakPolarHBondContact OG1-CB 3.32Å; T113-E115 PolarHBondContact OG1-N 2.9Å; E115-R118 PolarHBondContact O-N 2.93Å; E115-N119 PolarHBondContact O-N 3.24Å
116S55.3Low63.7Low49 Ų4964.2 Ų64.234%0.34335%0.346SS..Hα-helixtrans-68.1-36.8177-169.40000112.3T113 E114 N119 S120T113-S116 WeakPolarHBondContact O-CB 3.26Å; T113-S116 PolarHBondContact O-N 3.31Å; E114-S116 VanDerWaalsContact C-N 3.3Å; E114-S116 PolarHBondContact O-N 3.46Å; S116-N119 PolarHBondContact O-N 2.97Å; S116-S120 PolarHBondContact O-N 3.4Å
117Q57.2Low65.5Low125 Ų12565.2 Ų65.258%0.58435%0.351SS*.Hα-helixtrans-69.8-42.9175.8-171.763.238.600110.4E114 N119 S120 D121E114-Q117 PolarHBondContact O-N 3.49Å; Q117-N119 VanDerWaalsContact C-N 3.27Å; Q117-N119 PolarHBondContact O-N 3.28Å; Q117-S120 WeakPolarHBondContact O-CB 3.48Å; Q117-S120 PolarHBondContact O-N 2.86Å; Q117-S120 VanDerWaalsContact O-N 3.09Å; Q117-D121 PolarHBondContact O-N 3.08Å
118R62.8Low67.4Low148 Ų14868 Ų6856%0.55836%0.364SS*.Hα-helixtrans-59-38.8173.7-66.2-178.5-166.51777111.9E114 E115 S120 D121 H122E114-R118 PolarHBondContact O-N 3.47Å; E115-R118 PolarHBondContact O-N 2.93Å; R118-S120 VanDerWaalsContact C-N 3.29Å; R118-S120 PolarHBondContact O-N 2.85Å; R118-D121 PolarHBondContact O-N 3.33Å; R118-H122 PolarHBondContact O-CD2 3.29Å; R118-H122 VanDerWaalsContact O-CG 3.29Å; R118-H122 PolarHBondContact O-N 3.46Å
119N72.1Confident69.5Low19 Ų1963.7 Ų63.710%0.10235%0.345CS..Hα-helixtrans-61.5-36.4176.1-167.955.2000112.7L82 E115 S116 Q117 H122 V123L82-N119 PolarHBondContact O-ND2 2.58Å; E115-N119 PolarHBondContact O-N 3.24Å; S116-N119 PolarHBondContact O-N 2.97Å; Q117-N119 VanDerWaalsContact C-N 3.27Å; Q117-N119 PolarHBondContact O-N 3.28Å; N119-H122 PolarHBondContact O-N 2.97Å; N119-V123 WeakPolarHBondContact O-CG2 3.33Å; N119-V123 PolarHBondContact O-N 3.43Å
120S79.5Confident72Confident44 Ų4462.9 Ų62.931%0.30834%0.338SS..Hα-helixtrans-63.1-44.6175-165.50000111.8S116 Q117 R118 H122 V123 E124S116-S120 PolarHBondContact O-N 3.4Å; Q117-S120 WeakPolarHBondContact O-CB 3.48Å; Q117-S120 PolarHBondContact O-N 2.86Å; Q117-S120 VanDerWaalsContact O-N 3.09Å; R118-S120 VanDerWaalsContact C-N 3.29Å; R118-S120 PolarHBondContact O-N 2.85Å; S120-H122 VanDerWaalsContact C-N 3.3Å; S120-H122 PolarHBondContact O-N 3.43Å; S120-V123 PolarHBondContact O-N 3.19Å; S120-E124 PolarHBondContact O-N 3.1Å
121D83.3Confident74.5Confident78 Ų7864.1 Ų64.142%0.41734%0.339SS..Hα-helixtrans-64.1-37.7179.5-56.9-17.7000111.2Q117 R118 E124 T125Q117-D121 PolarHBondContact O-N 3.08Å; R118-D121 PolarHBondContact O-N 3.33Å; D121-E124 PolarHBondContact O-N 3.14Å; D121-T125 WeakPolarHBondContact O-CB 3.41Å; D121-T125 PolarHBondContact O-N 3.1Å; D121-T125 PolarHBondContact O-OG1 3.43Å
122H85.8Confident77Confident44 Ų4465 Ų6520%0.20434%0.337CS..Hα-helixtrans-65.8-40.1174.6-64.5-53.3000112.4R118 N119 S120 T125 A126 L222 E223 M225R118-H122 PolarHBondContact O-CD2 3.29Å; R118-H122 VanDerWaalsContact O-CG 3.29Å; R118-H122 PolarHBondContact O-N 3.46Å; N119-H122 PolarHBondContact O-N 2.97Å; S120-H122 VanDerWaalsContact C-N 3.3Å; S120-H122 PolarHBondContact O-N 3.43Å; H122-T125 PolarHBondContact O-N 3.42Å; H122-A126 WeakPolarHBondContact O-CB 3.42Å; H122-A126 PolarHBondContact O-N 3.4Å; H122-L222 HydrophobicContact CB-CB 3.83Å; H122-E223 HydrophobicContact CB-CG 4.28Å; H122-E223 IonicContact CE1-OE1 2.61Å; H122-E223 PolarHBondContact CE1-OE1 2.94Å; H122-E223 IonicContact CG-OE1 2.86Å; H122-E223 IonicContact ND1-OE1 3.02Å; H122-E223 PolarHBondContact ND1-OE1 2.9Å; H122-E223 IonicContact ND1-OE2 2.65Å; H122-M225 HydrophobicContact CB-CE 4.3Å; H122-M225 WeakPolarHBondContact O-CE 3.42Å
123V88.1Confident79.6Confident0 Ų065.1 Ų65.10%032%0.32CS..Hα-helixtrans-64-44.5174.4168.50000111.3E74 L82 V84 N119 S120 T125 A126 L127 M225E74-V123 HydrophobicContact CG-CG1 3.92Å; L82-V123 HydrophobicContact CB-CG2 4.15Å; L82-V123 HydrophobicContact CD2-CB 3.98Å; L82-V123 HydrophobicContact CD2-CG1 3.75Å; L82-V123 HydrophobicContact CD2-CG2 4.13Å; L82-V123 HydrophobicContact CG-CB 4.35Å; L82-V123 HydrophobicContact CG-CG1 3.98Å; L82-V123 HydrophobicContact CG-CG2 4.04Å; L82-V123 WeakPolarHBondContact O-CG2 3.29Å; V84-V123 HydrophobicContact CG2-CB 4.44Å; V84-V123 HydrophobicContact CG2-CG1 3.81Å; N119-V123 WeakPolarHBondContact O-CG2 3.33Å; N119-V123 PolarHBondContact O-N 3.43Å; S120-V123 PolarHBondContact O-N 3.19Å; V123-T125 VanDerWaalsContact C-N 3.34Å; V123-T125 PolarHBondContact O-N 2.99Å; V123-A126 WeakPolarHBondContact O-CB 3.37Å; V123-A126 PolarHBondContact O-N 2.88Å; V123-L127 HydrophobicContact CG1-CD1 4.15Å; V123-L127 WeakPolarHBondContact O-CG 3.29Å; V123-L127 PolarHBondContact O-N 3.4Å; V123-M225 HydrophobicContact CB-CE 4.22Å; V123-M225 HydrophobicContact CG2-CE 3.66Å; V123-M225 HydrophobicContact CG2-SD 4.35Å
124E90.6Very high82Confident106 Ų10662.2 Ų62.250%0.49530%0.302SS..Hα-helixtrans-61.4-44.7177.6-172.717618000111.2S120 D121 A126 L127 Q128S120-E124 PolarHBondContact O-N 3.1Å; D121-E124 PolarHBondContact O-N 3.14Å; E124-A126 PolarHBondContact O-N 3.29Å; E124-L127 PolarHBondContact O-N 3.24Å; E124-Q128 WeakPolarHBondContact O-CG 3.47Å; E124-Q128 PolarHBondContact O-N 3.36Å
125T91Very high84Confident36 Ų3660.2 Ų60.222%0.22129%0.288CS..Hα-helixtrans-62.4-43.2176.9-55.10000111.6D121 H122 V123 L127 Q128 W129 E223D121-T125 WeakPolarHBondContact O-CB 3.41Å; D121-T125 PolarHBondContact O-N 3.1Å; D121-T125 PolarHBondContact O-OG1 3.43Å; H122-T125 PolarHBondContact O-N 3.42Å; V123-T125 VanDerWaalsContact C-N 3.34Å; V123-T125 PolarHBondContact O-N 2.99Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 3.24Å; T125-Q128 WeakPolarHBondContact O-CB 3.39Å; T125-Q128 PolarHBondContact O-N 3.45Å; T125-W129 HydrophobicContact CG2-CZ2 4.48Å; T125-W129 VanDerWaalsContact O-CD1 3.23Å; T125-W129 PolarHBondContact O-N 3.13Å; T125-E223 HydrophobicContact CG2-CB 4.44Å; T125-E223 HydrophobicContact CG2-CG 3.73Å
126A91.8Very high86Confident0 Ų062.7 Ų62.70%030%0.297CS..Hα-helixtrans-60.1-41.417500000112.4V84 H122 V123 E124 W129 I130 M225 A226V84-A126 HydrophobicContact CG2-CB 3.93Å; H122-A126 WeakPolarHBondContact O-CB 3.42Å; H122-A126 PolarHBondContact O-N 3.4Å; V123-A126 WeakPolarHBondContact O-CB 3.37Å; V123-A126 PolarHBondContact O-N 2.88Å; E124-A126 PolarHBondContact O-N 3.29Å; A126-W129 WeakPolarHBondContact O-CB 3.15Å; A126-W129 PolarHBondContact O-N 3.03Å; A126-I130 WeakPolarHBondContact O-CD1 3.36Å; A126-I130 WeakPolarHBondContact O-CG1 3.23Å; A126-I130 PolarHBondContact O-N 3.08Å; A126-M225 HydrophobicContact CB-CE 3.77Å; A126-M225 HydrophobicContact CB-CG 4.11Å; A126-A226 HydrophobicContact CB-CB 3.95Å
127L93.8Very high88Confident20 Ų2063.3 Ų63.311%0.10530%0.296CS..Hα-helixtrans-64.7-41.2175.5-72.1169.7000112.3G72 E74 V84 V123 E124 T125 W129 I130 H131G72-L127 VanDerWaalsContact C-CD2 3.47Å; E74-L127 HydrophobicContact CG-CD1 3.54Å; V84-L127 HydrophobicContact CG1-CD2 3.8Å; V84-L127 HydrophobicContact CG2-CD2 4.26Å; V84-L127 HydrophobicContact CG2-CG 4.15Å; V123-L127 HydrophobicContact CG1-CD1 4.15Å; V123-L127 WeakPolarHBondContact O-CG 3.29Å; V123-L127 PolarHBondContact O-N 3.4Å; E124-L127 PolarHBondContact O-N 3.24Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 3.24Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.08Å; L127-I130 PolarHBondContact O-N 2.96Å; L127-I130 VanDerWaalsContact O-N 3.16Å; L127-H131 PolarHBondContact O-N 3.29Å
128Q94.6Very high89.8Confident95 Ų9557.3 Ų57.344%0.44427%0.268SS..Hα-helixtrans-59.8-43.6174-70.3174.48.500111.1E124 T125 I130 H131 E132E124-Q128 WeakPolarHBondContact O-CG 3.47Å; E124-Q128 PolarHBondContact O-N 3.36Å; T125-Q128 WeakPolarHBondContact O-CB 3.39Å; T125-Q128 PolarHBondContact O-N 3.45Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.35Å; Q128-H131 PolarHBondContact O-N 3.06Å; Q128-E132 WeakPolarHBondContact O-CB 3.49Å; Q128-E132 PolarHBondContact O-N 3.47Å
129W95.1Very high91.4Very high11 Ų1154 Ų544%0.04226%0.261CS..Iπ-helixtrans-57.7-45.2174.3-68.97.6000111.4T125 A126 L127 L133 F134 F156 F157 Y160 E223 A226T125-W129 HydrophobicContact CG2-CZ2 4.48Å; T125-W129 VanDerWaalsContact O-CD1 3.23Å; T125-W129 PolarHBondContact O-N 3.13Å; A126-W129 WeakPolarHBondContact O-CB 3.15Å; A126-W129 PolarHBondContact O-N 3.03Å; L127-W129 VanDerWaalsContact C-N 3.32Å; L127-W129 PolarHBondContact O-N 3.08Å; W129-L133 HydrophobicContact CG-CD1 4.34Å; W129-L133 CarbonylContact O-C 3.58Å; W129-L133 WeakPolarHBondContact O-CA 3.5Å; W129-L133 WeakPolarHBondContact O-CB 3.49Å; W129-L133 PolarHBondContact O-N 2.94Å; W129-F134 HydrophobicContact CB-CD2 4.27Å; W129-F134 HydrophobicContact CB-CE2 4.06Å; W129-F134 HydrophobicContact CB-CZ 4.31Å; W129-F134 HydrophobicContact CE3-CE2 4.24Å; W129-F134 AromaticContact CE3-CZ 3.9Å; W129-F134 HydrophobicContact CE3-CZ 3.9Å; W129-F134 PolarHBondContact O-N 3.25Å; W129-F156 AromaticContact CD2-CE1 3.82Å; W129-F156 HydrophobicContact CD2-CE1 3.82Å; W129-F156 HydrophobicContact CD2-CZ 4.21Å; W129-F156 AromaticContact CE3-CE1 3.83Å; W129-F156 HydrophobicContact CE3-CE1 3.83Å; W129-F156 HydrophobicContact CG-CE1 4.37Å; W129-F156 HydrophobicContact CG-CZ 4.42Å; W129-F156 HydrophobicContact CH2-CE1 4.31Å; W129-F156 HydrophobicContact CZ2-CE1 4.3Å; W129-F156 HydrophobicContact CZ3-CE1 4.08Å; W129-F157 HydrophobicContact CH2-CD2 4.06Å; W129-F157 HydrophobicContact CH2-CE2 4.2Å; W129-F157 AromaticContact CZ3-CD2 3.94Å; W129-F157 HydrophobicContact CZ3-CD2 3.94Å; W129-F157 HydrophobicContact CZ3-CE2 4.26Å; W129-Y160 AromaticContact CH2-CD1 3.67Å; W129-Y160 HydrophobicContact CH2-CD1 3.67Å; W129-Y160 AromaticContact CH2-CE1 3.82Å; W129-Y160 HydrophobicContact CH2-CE1 3.82Å; W129-Y160 HydrophobicContact CH2-CG 4.08Å; W129-Y160 AromaticContact CZ2-CD1 3.65Å; W129-Y160 HydrophobicContact CZ2-CD1 3.65Å; W129-Y160 AromaticContact CZ2-CD2 3.86Å; W129-Y160 HydrophobicContact CZ2-CD2 3.86Å; W129-Y160 AromaticContact CZ2-CE1 3.54Å; W129-Y160 HydrophobicContact CZ2-CE1 3.54Å; W129-Y160 AromaticContact CZ2-CE2 3.75Å; W129-Y160 HydrophobicContact CZ2-CE2 3.75Å; W129-Y160 AromaticContact CZ2-CG 3.81Å; W129-Y160 HydrophobicContact CZ2-CG 3.81Å; W129-Y160 AromaticContact CZ2-CZ 3.6Å; W129-E223 HydrophobicContact CE3-CB 4.45Å; W129-E223 HydrophobicContact CH2-CB 3.68Å; W129-E223 HydrophobicContact CZ2-CB 3.95Å; W129-E223 HydrophobicContact CZ3-CB 3.94Å; W129-A226 HydrophobicContact CE3-CB 4.18Å
130I95.8Very high92.5Very high0 Ų057.8 Ų57.80%028%0.281CS..Iπ-helixtrans-65.1-52.3-179-66.5153.7000111.5L70 V84 V86 A126 L127 Q128 F134 R135 A226 V230L70-I130 HydrophobicContact CB-CG2 4.18Å; V84-I130 HydrophobicContact CG1-CD1 3.39Å; V86-I130 HydrophobicContact CG1-CG2 4.42Å; V86-I130 HydrophobicContact CG2-CD1 3.54Å; V86-I130 HydrophobicContact CG2-CG1 4.16Å; A126-I130 WeakPolarHBondContact O-CD1 3.36Å; A126-I130 WeakPolarHBondContact O-CG1 3.23Å; A126-I130 PolarHBondContact O-N 3.08Å; L127-I130 PolarHBondContact O-N 2.96Å; L127-I130 VanDerWaalsContact O-N 3.16Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.35Å; I130-F134 HydrophobicContact CG1-CD2 4.17Å; I130-R135 WeakPolarHBondContact O-CB 3.25Å; I130-R135 PolarHBondContact O-N 2.93Å; I130-R135 VanDerWaalsContact O-N 3.13Å; I130-A226 HydrophobicContact CD1-CB 4.02Å; I130-A226 HydrophobicContact CG1-CB 3.98Å; I130-V230 HydrophobicContact CG1-CG2 4.27Å
131H94.8Very high93.3Very high84 Ų8458.1 Ų58.139%0.38928%0.278SS..Iπ-helixtrans-74.4-26.6-172.3-67161.7000113.4G72 L127 Q128 R135G72-H131 PolarHBondContact N-NE2 3.48Å; G72-H131 VanDerWaalsContact N-NE2 3.11Å; G72-H131 PolarHBondContact O-CE1 3.49Å; G72-H131 PolarHBondContact O-NE2 3.5Å; L127-H131 PolarHBondContact O-N 3.29Å; Q128-H131 PolarHBondContact O-N 3.06Å; H131-R135 WeakPolarHBondContact O-CB 3.37Å; H131-R135 VanDerWaalsContact O-CD 3.23Å; H131-R135 WeakPolarHBondContact O-CD 3.38Å
132E93.6Very high93.9Very high115 Ų11557.1 Ų57.154%0.53727%0.273SS..Iπ-helixtrans-111-51.5-175.7-57.6-163.4169.300114Q128 K136Q128-E132 WeakPolarHBondContact O-CB 3.49Å; Q128-E132 PolarHBondContact O-N 3.47Å; E132-K136 WeakPolarHBondContact O-CD 3.44Å; E132-K136 WeakPolarHBondContact O-CE 3.1Å; E132-K136 WeakPolarHBondContact O-CG 3.37Å
133L95Very high94.3Very high73 Ų7355 Ų5538%0.38226%0.263SS..Iπ-helixtrans-87.2-59.6-169.5-58176.9000110.9W129 R135 K136 L137 F156W129-L133 HydrophobicContact CG-CD1 4.34Å; W129-L133 CarbonylContact O-C 3.58Å; W129-L133 WeakPolarHBondContact O-CA 3.5Å; W129-L133 WeakPolarHBondContact O-CB 3.49Å; W129-L133 PolarHBondContact O-N 2.94Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.87Å; L133-K136 PolarHBondContact O-N 3.49Å; L133-K136 VanDerWaalsContact O-N 3.16Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 2.88Å; L133-F156 HydrophobicContact CB-CE2 4.37Å; L133-F156 HydrophobicContact CD1-CE2 3.66Å; L133-F156 HydrophobicContact CD1-CZ 3.49Å; L133-F156 VanDerWaalsContact CD1-CZ 3.49Å
134F96.3Very high94.6Very high0 Ų056.1 Ų56.10%027%0.27CS..Iπ-helixtrans-64.7-37.1-179.7-62.5-22.2000112.3L70 W129 I130 K136 L137 L138 L153 F156 A226 V227 V230L70-F134 HydrophobicContact CD1-CB 4.02Å; W129-F134 HydrophobicContact CB-CD2 4.27Å; W129-F134 HydrophobicContact CB-CE2 4.06Å; W129-F134 HydrophobicContact CB-CZ 4.31Å; W129-F134 HydrophobicContact CE3-CE2 4.24Å; W129-F134 AromaticContact CE3-CZ 3.9Å; W129-F134 HydrophobicContact CE3-CZ 3.9Å; W129-F134 PolarHBondContact O-N 3.25Å; I130-F134 HydrophobicContact CG1-CD2 4.17Å; F134-K136 VanDerWaalsContact C-N 3.29Å; F134-K136 PolarHBondContact O-N 2.94Å; F134-L137 HydrophobicContact CD1-CD2 4.24Å; F134-L137 PolarHBondContact O-N 3.5Å; F134-L138 WeakPolarHBondContact O-CB 3.49Å; F134-L138 WeakPolarHBondContact O-CG 3.31Å; F134-L138 PolarHBondContact O-N 2.87Å; F134-L153 HydrophobicContact CD1-CD2 3.68Å; F134-L153 HydrophobicContact CD2-CD2 4.13Å; F134-L153 HydrophobicContact CE1-CD2 3.69Å; F134-L153 HydrophobicContact CE2-CD2 4.12Å; F134-L153 HydrophobicContact CG-CD2 3.91Å; F134-L153 HydrophobicContact CZ-CD2 3.92Å; F134-F156 HydrophobicContact CE1-CB 4.43Å; F134-F156 AromaticContact CE1-CD1 3.4Å; F134-F156 HydrophobicContact CE1-CD1 3.4Å; F134-F156 AromaticContact CE1-CE1 3.72Å; F134-F156 HydrophobicContact CE1-CE1 3.72Å; F134-F156 AromaticContact CE1-CG 3.87Å; F134-F156 HydrophobicContact CE1-CG 3.87Å; F134-F156 HydrophobicContact CE1-CZ 4.44Å; F134-F156 AromaticContact CZ-CD1 3.83Å; F134-F156 HydrophobicContact CZ-CD1 3.83Å; F134-F156 AromaticContact CZ-CE1 3.96Å; F134-F156 HydrophobicContact CZ-CE1 3.96Å; F134-A226 HydrophobicContact CD2-CB 4.41Å; F134-A226 HydrophobicContact CE2-CB 3.69Å; F134-V227 HydrophobicContact CE2-CG2 4.27Å; F134-V227 HydrophobicContact CZ-CG2 3.77Å; F134-V230 HydrophobicContact CD2-CG2 3.87Å; F134-V230 HydrophobicContact CE2-CG2 4.45Å
135R94.3Very high94.8Very high115 Ų11554.3 Ų54.343%0.43426%0.264SS..Hα-helixtrans-56.4-43173.4-173.8-176.3-171.7-164.76.3112.4D69 I130 H131 L133 L139D69-R135 IonicContact OD1-CZ 2.75Å; D69-R135 IonicContact OD1-NE 3.25Å; D69-R135 PolarHBondContact OD1-NE 3.36Å; D69-R135 IonicContact OD1-NH2 2.79Å; D69-R135 PolarHBondContact OD1-NH2 3.26Å; D69-R135 IonicContact OD2-NH2 2.7Å; I130-R135 WeakPolarHBondContact O-CB 3.25Å; I130-R135 PolarHBondContact O-N 2.93Å; I130-R135 VanDerWaalsContact O-N 3.13Å; H131-R135 WeakPolarHBondContact O-CB 3.37Å; H131-R135 VanDerWaalsContact O-CD 3.23Å; H131-R135 WeakPolarHBondContact O-CD 3.38Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 PolarHBondContact O-N 2.87Å; R135-L139 WeakPolarHBondContact O-CB 3.08Å; R135-L139 PolarHBondContact O-N 3.04Å
136K95.6Very high95Very high154 Ų15452.7 Ų52.767%0.6725%0.254SS*.Hα-helixtrans-74.6-42.8177.7-70.7173.3-168.1163.20111.4E132 L133 F134 L138 L139E132-K136 WeakPolarHBondContact O-CD 3.44Å; E132-K136 WeakPolarHBondContact O-CE 3.1Å; E132-K136 WeakPolarHBondContact O-CG 3.37Å; L133-K136 PolarHBondContact O-N 3.49Å; L133-K136 VanDerWaalsContact O-N 3.16Å; F134-K136 VanDerWaalsContact C-N 3.29Å; F134-K136 PolarHBondContact O-N 2.94Å; K136-L138 PolarHBondContact O-N 2.85Å; K136-L139 PolarHBondContact O-N 3.4Å
137L96.6Very high95.2Very high62 Ų6255.6 Ų55.633%0.32528%0.278SS..Hα-helixtrans-60.9-44-178.3-176.264000112L133 F134 M152L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 2.88Å; F134-L137 HydrophobicContact CD1-CD2 4.24Å; F134-L137 PolarHBondContact O-N 3.5Å; L137-M152 HydrophobicContact CD1-CB 4.43Å; L137-M152 HydrophobicContact CD1-SD 4.45Å; L137-M152 HydrophobicContact CD2-CB 4.11Å; L137-M152 HydrophobicContact CG-CB 4.23Å; L137-M152 HydrophobicContact CG-SD 4.5Å
138L96.8Very high95.3Very high0 Ų059 Ų590%029%0.293CS..THydrogen-bonded Turntrans-95.52.5-174.5-57.2-174.9000113.6I67 L70 F134 K136 N140 Q141 I149 M152 L153 V230I67-L138 WeakPolarHBondContact CB-O 3.32Å; I67-L138 HydrophobicContact CD1-CB 4.24Å; L70-L138 HydrophobicContact CD1-CB 4.31Å; L70-L138 HydrophobicContact CD1-CD1 3.97Å; F134-L138 WeakPolarHBondContact O-CB 3.49Å; F134-L138 WeakPolarHBondContact O-CG 3.31Å; F134-L138 PolarHBondContact O-N 2.87Å; K136-L138 PolarHBondContact O-N 2.85Å; L138-N140 PolarHBondContact O-N 3.26Å; L138-Q141 WeakPolarHBondContact O-CB 3.34Å; L138-Q141 WeakPolarHBondContact O-CG 3.19Å; L138-Q141 PolarHBondContact O-N 3.19Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L138-I149 HydrophobicContact CD1-CG2 3.99Å; L138-I149 HydrophobicContact CD2-CG1 4.37Å; L138-I149 HydrophobicContact CD2-CG2 3.96Å; L138-M152 HydrophobicContact CD2-CB 4.4Å; L138-M152 HydrophobicContact CD2-CE 3.71Å; L138-M152 HydrophobicContact CD2-SD 4.29Å; L138-L153 HydrophobicContact CD1-CD2 4.23Å; L138-V230 HydrophobicContact CD1-CG1 3.57Å
139L96.1Very high95.5Very high79 Ų7954.6 Ų54.641%0.41427%0.273SS..THydrogen-bonded Turntrans-61.8131.7-179.9-169.767.2000110.8S68 R135 K136 Q141S68-L139 WeakPolarHBondContact O-CD1 3.29Å; R135-L139 WeakPolarHBondContact O-CB 3.08Å; R135-L139 PolarHBondContact O-N 3.04Å; K136-L139 PolarHBondContact O-N 3.4Å; L139-Q141 PolarHBondContact O-N 2.78Å
140N94.6Very high95.5Very high98 Ų9854.2 Ų54.252%0.52427%0.271SS..THydrogen-bonded Turntrans64.55.9-176.7-56.7-57.4000115.8I67 L138I67-N140 WeakPolarHBondContact O-CA 3.25Å; I67-N140 PolarHBondContact O-N 3.03Å; L138-N140 PolarHBondContact O-N 3.26Å
141Q96.7Very high95.5Very high51 Ų5159 Ų5924%0.23829%0.294CS..  trans-72.9150.9175.5-61.5-60.9-13.300111.4R66 I67 L138 L139 P143 I149 M152R66-Q141 CarbonylContact C-O 3.59Å; R66-Q141 VanDerWaalsContact CA-O 3.29Å; R66-Q141 WeakPolarHBondContact CA-O 3.39Å; I67-Q141 PolarHBondContact N-O 3.42Å; L138-Q141 WeakPolarHBondContact O-CB 3.34Å; L138-Q141 WeakPolarHBondContact O-CG 3.19Å; L138-Q141 PolarHBondContact O-N 3.19Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 PolarHBondContact O-N 2.78Å; Q141-P143 WeakPolarHBondContact O-CD 3.04Å; Q141-I149 HydrophobicContact CB-CG1 4.46Å; Q141-M152 HydrophobicContact CB-CE 4.43Å; Q141-M152 HydrophobicContact CG-CE 3.77Å; Q141-M152 HydrophobicContact CG-SD 4.42Å
142N94.9Very high95.6Very high57 Ų5756.7 Ų56.731%0.30528%0.284SS..  trans-78.9113.9178.8-178.2-6.5000110.1C144 D145 I149N142-C144 PolarHBondContact O-N 3.36Å; N142-C144 VanDerWaalsContact OD1-CB 3.32Å; N142-C144 WeakPolarHBondContact OD1-CB 3.45Å; N142-C144 PolarHBondContact OD1-N 3.41Å; N142-D145 HydrophobicContact CB-CB 4.47Å; N142-D145 PolarHBondContact O-N 3.43Å; N142-I149 WeakPolarHBondContact O-CD1 3.46Å
143P94.6Very high95.7Very high0 Ų051.2 Ų51.20%026%0.258CS..THydrogen-bonded Turntrans-66.5-8.8-179.730.1-37.2000113.9P65 I67 Q141 V234 I241P65-P143 HydrophobicContact CB-CG 4.16Å; P65-P143 WeakPolarHBondContact O-CD 3.5Å; I67-P143 HydrophobicContact CD1-CB 4.3Å; I67-P143 HydrophobicContact CG1-CB 3.94Å; I67-P143 HydrophobicContact CG1-CG 4.38Å; Q141-P143 WeakPolarHBondContact O-CD 3.04Å; P143-V234 HydrophobicContact CB-CG1 4.48Å; P143-I241 HydrophobicContact CB-CD1 4.14Å; P143-I241 HydrophobicContact CG-CD1 3.33Å
144C94Very high95.6Very high23 Ų2348.7 Ų48.716%0.15525%0.247CC..THydrogen-bonded Turntrans-86.9-9.4172.6-600000113.3N142 Q146 Y249N142-C144 PolarHBondContact O-N 3.36Å; N142-C144 VanDerWaalsContact OD1-CB 3.32Å; N142-C144 WeakPolarHBondContact OD1-CB 3.45Å; N142-C144 PolarHBondContact OD1-N 3.41Å; C144-Q146 PolarHBondContact O-N 2.97Å; C144-Y249 WeakPolarHBondContact CA-OH 3.38Å; C144-Y249 PolarHBondContact O-OH 3.33Å
145D95.2Very high95.5Very high68 Ų6851.6 Ų51.636%0.36426%0.262SS..  trans-96.275.7175.4-157.5-30.5000110.2N142 A147 E148 I149N142-D145 HydrophobicContact CB-CB 4.47Å; N142-D145 PolarHBondContact O-N 3.43Å; D145-A147 VanDerWaalsContact C-N 3.29Å; D145-A147 PolarHBondContact O-N 3.32Å; D145-E148 HydrophobicContact CB-CB 4.21Å; D145-E148 PolarHBondContact O-N 3.43Å; D145-E148 PolarHBondContact OD1-N 2.86Å; D145-I149 PolarHBondContact O-N 3.38Å
146Q96.2Very high95.5Very high2 Ų248.6 Ų48.61%0.00925%0.252CS..Hα-helixtrans-60.1-40.3-174.7-172.46842.300112C144 I149 D150 S231 A235 L253 V467C144-Q146 PolarHBondContact O-N 2.97Å; Q146-I149 PolarHBondContact O-N 3.34Å; Q146-D150 WeakPolarHBondContact CG-OD2 3.49Å; Q146-D150 VanDerWaalsContact NE2-CG 3.29Å; Q146-D150 PolarHBondContact NE2-OD1 3.02Å; Q146-D150 PolarHBondContact NE2-OD2 2.84Å; Q146-D150 VanDerWaalsContact NE2-OD2 3.1Å; Q146-D150 VanDerWaalsContact O-CB 3.31Å; Q146-D150 WeakPolarHBondContact O-CB 3.36Å; Q146-D150 PolarHBondContact O-N 2.97Å; Q146-S231 PolarHBondContact NE2-O 3.16Å; Q146-S231 PolarHBondContact NE2-OG 3.47Å; Q146-A235 VanDerWaalsContact OE1-CB 3.3Å; Q146-A235 VanDerWaalsContact OE1-N 3.09Å; Q146-L253 HydrophobicContact CB-CD1 3.72Å; Q146-L253 HydrophobicContact CB-CD2 3.76Å; Q146-L253 HydrophobicContact CB-CG 4.4Å; Q146-L253 HydrophobicContact CG-CD1 3.76Å; Q146-V467 HydrophobicContact CG-CB 4.37Å; Q146-V467 HydrophobicContact CG-CG1 4.37Å
147A95.2Very high95.2Very high60 Ų6042.6 Ų42.650%0.49623%0.226SC..Hα-helixtrans-67.2-41.8-175.800000111.5D145 Q151D145-A147 VanDerWaalsContact C-N 3.29Å; D145-A147 PolarHBondContact O-N 3.32Å; A147-Q151 VanDerWaalsContact O-CB 3.24Å; A147-Q151 WeakPolarHBondContact O-CB 3.22Å; A147-Q151 PolarHBondContact O-N 2.83Å
148E96.4Very high94.9Very high93 Ų9345.8 Ų45.844%0.43523%0.234SC..Hα-helixtrans-63.9-45176.5-171.1176.7-165.200111.3D145 Q151 M152D145-E148 HydrophobicContact CB-CB 4.21Å; D145-E148 PolarHBondContact O-N 3.43Å; D145-E148 PolarHBondContact OD1-N 2.86Å; E148-Q151 PolarHBondContact O-N 2.89Å; E148-M152 HydrophobicContact CG-CE 4.04Å; E148-M152 WeakPolarHBondContact O-CE 3.35Å; E148-M152 WeakPolarHBondContact O-CG 3.1Å; E148-M152 PolarHBondContact O-N 3.31Å
149I97.2Very high94.6Very high1 Ų148.8 Ų48.81%0.00526%0.255CS..Hα-helixtrans-63.6-47.5178.8-69.6172.6000111.6I67 L138 Q141 N142 D145 Q146 Q151 M152 L153 V234I67-I149 HydrophobicContact CD1-CD1 3.77Å; L138-I149 HydrophobicContact CD1-CG2 3.99Å; L138-I149 HydrophobicContact CD2-CG1 4.37Å; L138-I149 HydrophobicContact CD2-CG2 3.96Å; Q141-I149 HydrophobicContact CB-CG1 4.46Å; N142-I149 WeakPolarHBondContact O-CD1 3.46Å; D145-I149 PolarHBondContact O-N 3.38Å; Q146-I149 PolarHBondContact O-N 3.34Å; I149-Q151 VanDerWaalsContact C-N 3.3Å; I149-Q151 PolarHBondContact O-N 2.98Å; I149-M152 HydrophobicContact CB-CE 4.49Å; I149-M152 HydrophobicContact CG1-CE 4.07Å; I149-M152 PolarHBondContact O-N 3Å; I149-L153 HydrophobicContact CG2-CD1 4.11Å; I149-L153 WeakPolarHBondContact O-CG 3.27Å; I149-L153 PolarHBondContact O-N 3.35Å; I149-V234 HydrophobicContact CB-CG1 4.44Å; I149-V234 HydrophobicContact CD1-CG1 3.45Å; I149-V234 VanDerWaalsContact CD1-CG1 3.45Å; I149-V234 HydrophobicContact CD1-CG2 4.44Å; I149-V234 HydrophobicContact CG2-CB 4.48Å; I149-V234 HydrophobicContact CG2-CG1 4.16Å; I149-V234 HydrophobicContact CG2-CG2 4.22Å
150D96.3Very high94.3Very high3 Ų347.2 Ų47.22%0.01624%0.244CC..Hα-helixtrans-64.1-37.7179.1-72.8-14.4000111.3Q146 M152 L153 S154 S231 T466 S468Q146-D150 WeakPolarHBondContact CG-OD2 3.49Å; Q146-D150 VanDerWaalsContact NE2-CG 3.29Å; Q146-D150 PolarHBondContact NE2-OD1 3.02Å; Q146-D150 PolarHBondContact NE2-OD2 2.84Å; Q146-D150 VanDerWaalsContact NE2-OD2 3.1Å; Q146-D150 VanDerWaalsContact O-CB 3.31Å; Q146-D150 WeakPolarHBondContact O-CB 3.36Å; Q146-D150 PolarHBondContact O-N 2.97Å; D150-M152 PolarHBondContact O-N 3.32Å; D150-L153 PolarHBondContact O-N 3.45Å; D150-S154 VanDerWaalsContact O-CB 3.29Å; D150-S154 WeakPolarHBondContact O-CB 3.32Å; D150-S154 PolarHBondContact O-N 3.24Å; D150-S154 PolarHBondContact O-OG 3.28Å; D150-S154 VanDerWaalsContact O-OG 3.11Å; D150-S231 VanDerWaalsContact CG-OG 3.29Å; D150-S231 VanDerWaalsContact OD1-CB 3.26Å; D150-S231 WeakPolarHBondContact OD1-CB 3.49Å; D150-S231 PolarHBondContact OD1-OG 3.42Å; D150-S231 PolarHBondContact OD2-OG 2.93Å; D150-T466 HydrophobicContact CB-CG2 4.05Å; D150-T466 VanDerWaalsContact CG-CB 3.49Å; D150-S468 WeakPolarHBondContact CB-OG 3.01Å; D150-S468 WeakPolarHBondContact OD2-CB 3.48Å; D150-S468 PolarHBondContact OD2-N 3.46Å; D150-S468 PolarHBondContact OD2-OG 3.02Å
151Q95.8Very high93.9Very high100 Ų10045 Ų4547%0.46723%0.23SC..Hα-helixtrans-60.9-45.5174.9-174.763.452.100111.6A147 E148 I149 L153 S154 D155A147-Q151 VanDerWaalsContact O-CB 3.24Å; A147-Q151 WeakPolarHBondContact O-CB 3.22Å; A147-Q151 PolarHBondContact O-N 2.83Å; E148-Q151 PolarHBondContact O-N 2.89Å; I149-Q151 VanDerWaalsContact C-N 3.3Å; I149-Q151 PolarHBondContact O-N 2.98Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-L153 PolarHBondContact O-N 3.05Å; Q151-S154 PolarHBondContact O-N 3.06Å; Q151-D155 PolarHBondContact NE2-OD1 3.04Å; Q151-D155 PolarHBondContact NE2-OD2 3.09Å; Q151-D155 WeakPolarHBondContact O-CB 3.27Å; Q151-D155 VanDerWaalsContact O-CG 3.29Å; Q151-D155 PolarHBondContact O-N 2.89Å
152M96.8Very high93.4Very high37 Ų3748.3 Ų48.318%0.18225%0.245CC..Hα-helixtrans-60.7-42.2176.6-73.2-176.1-76.800112.4L137 L138 Q141 E148 I149 D150 F156L137-M152 HydrophobicContact CD1-CB 4.43Å; L137-M152 HydrophobicContact CD1-SD 4.45Å; L137-M152 HydrophobicContact CD2-CB 4.11Å; L137-M152 HydrophobicContact CG-CB 4.23Å; L137-M152 HydrophobicContact CG-SD 4.5Å; L138-M152 HydrophobicContact CD2-CB 4.4Å; L138-M152 HydrophobicContact CD2-CE 3.71Å; L138-M152 HydrophobicContact CD2-SD 4.29Å; Q141-M152 HydrophobicContact CB-CE 4.43Å; Q141-M152 HydrophobicContact CG-CE 3.77Å; Q141-M152 HydrophobicContact CG-SD 4.42Å; E148-M152 HydrophobicContact CG-CE 4.04Å; E148-M152 WeakPolarHBondContact O-CE 3.35Å; E148-M152 WeakPolarHBondContact O-CG 3.1Å; E148-M152 PolarHBondContact O-N 3.31Å; I149-M152 HydrophobicContact CB-CE 4.49Å; I149-M152 HydrophobicContact CG1-CE 4.07Å; I149-M152 PolarHBondContact O-N 3Å; D150-M152 PolarHBondContact O-N 3.32Å; M152-F156 PolarHBondContact O-N 2.82Å
153L95.4Very high93.1Very high0 Ų051.8 Ų51.80%026%0.26CS..Hα-helixtrans-67.8-44.6177.8-67.1171.1000111.9F134 L138 I149 D150 Q151 F156 F157 V227 V230F134-L153 HydrophobicContact CD1-CD2 3.68Å; F134-L153 HydrophobicContact CD2-CD2 4.13Å; F134-L153 HydrophobicContact CE1-CD2 3.69Å; F134-L153 HydrophobicContact CE2-CD2 4.12Å; F134-L153 HydrophobicContact CG-CD2 3.91Å; F134-L153 HydrophobicContact CZ-CD2 3.92Å; L138-L153 HydrophobicContact CD1-CD2 4.23Å; I149-L153 HydrophobicContact CG2-CD1 4.11Å; I149-L153 WeakPolarHBondContact O-CG 3.27Å; I149-L153 PolarHBondContact O-N 3.35Å; D150-L153 PolarHBondContact O-N 3.45Å; Q151-L153 VanDerWaalsContact C-N 3.35Å; Q151-L153 PolarHBondContact O-N 3.05Å; L153-F156 PolarHBondContact O-N 3.1Å; L153-F157 PolarHBondContact O-N 2.55Å; L153-V227 HydrophobicContact CB-CG1 4.01Å; L153-V230 HydrophobicContact CD1-CB 4.15Å; L153-V230 HydrophobicContact CD1-CG1 3.88Å; L153-V230 HydrophobicContact CD2-CG1 4.26Å
154S92.4Very high92.7Very high20 Ų2053.4 Ų53.414%0.1427%0.267CS..Hα-helixtrans-66-38.1179.5-70.60000112.5D150 Q151 F157 R158 T466D150-S154 VanDerWaalsContact O-CB 3.29Å; D150-S154 WeakPolarHBondContact O-CB 3.32Å; D150-S154 PolarHBondContact O-N 3.24Å; D150-S154 PolarHBondContact O-OG 3.28Å; D150-S154 VanDerWaalsContact O-OG 3.11Å; Q151-S154 PolarHBondContact O-N 3.06Å; S154-F157 PolarHBondContact O-N 2.64Å; S154-R158 WeakPolarHBondContact O-CB 3.41Å; S154-R158 PolarHBondContact O-N 2.83Å; S154-T466 WeakPolarHBondContact OG-CG2 3.4Å
155D93.9Very high92.2Very high61 Ų6157.1 Ų57.133%0.32628%0.281SS..Hα-helixtrans-67.2-42.2175.6-73.1-25.7000111.7Q151 R158 S159Q151-D155 PolarHBondContact NE2-OD1 3.04Å; Q151-D155 PolarHBondContact NE2-OD2 3.09Å; Q151-D155 WeakPolarHBondContact O-CB 3.27Å; Q151-D155 VanDerWaalsContact O-CG 3.29Å; Q151-D155 PolarHBondContact O-N 2.89Å; D155-R158 PolarHBondContact O-N 2.87Å; D155-R158 IonicContact OD1-CZ 2.58Å; D155-R158 IonicContact OD1-NH1 3.73Å; D155-R158 PolarHBondContact OD1-NH1 3.01Å; D155-R158 IonicContact OD1-NH2 3.61Å; D155-S159 PolarHBondContact O-N 3.41Å; D155-S159 VanDerWaalsContact O-N 3.1Å; D155-S159 PolarHBondContact O-OG 3.45Å
156F94.4Very high91.8Very high51 Ų5156.8 Ų56.822%0.22429%0.288CS..Hα-helixtrans-57-50.9172.1172.1-90.7000111.6W129 L133 F134 M152 L153 R158 S159 Y160W129-F156 AromaticContact CD2-CE1 3.82Å; W129-F156 HydrophobicContact CD2-CE1 3.82Å; W129-F156 HydrophobicContact CD2-CZ 4.21Å; W129-F156 AromaticContact CE3-CE1 3.83Å; W129-F156 HydrophobicContact CE3-CE1 3.83Å; W129-F156 HydrophobicContact CG-CE1 4.37Å; W129-F156 HydrophobicContact CG-CZ 4.42Å; W129-F156 HydrophobicContact CH2-CE1 4.31Å; W129-F156 HydrophobicContact CZ2-CE1 4.3Å; W129-F156 HydrophobicContact CZ3-CE1 4.08Å; L133-F156 HydrophobicContact CB-CE2 4.37Å; L133-F156 HydrophobicContact CD1-CE2 3.66Å; L133-F156 HydrophobicContact CD1-CZ 3.49Å; L133-F156 VanDerWaalsContact CD1-CZ 3.49Å; F134-F156 HydrophobicContact CE1-CB 4.43Å; F134-F156 AromaticContact CE1-CD1 3.4Å; F134-F156 HydrophobicContact CE1-CD1 3.4Å; F134-F156 AromaticContact CE1-CE1 3.72Å; F134-F156 HydrophobicContact CE1-CE1 3.72Å; F134-F156 AromaticContact CE1-CG 3.87Å; F134-F156 HydrophobicContact CE1-CG 3.87Å; F134-F156 HydrophobicContact CE1-CZ 4.44Å; F134-F156 AromaticContact CZ-CD1 3.83Å; F134-F156 HydrophobicContact CZ-CD1 3.83Å; F134-F156 AromaticContact CZ-CE1 3.96Å; F134-F156 HydrophobicContact CZ-CE1 3.96Å; M152-F156 PolarHBondContact O-N 2.82Å; L153-F156 PolarHBondContact O-N 3.1Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 3.06Å; F156-S159 PolarHBondContact O-N 3.5Å; F156-Y160 PolarHBondContact O-N 2.89Å
157F90.8Very high91.4Very high28 Ų2862.8 Ų62.812%0.12331%0.31CS..Hα-helixtrans-65.4-37.8-176.9-172.9-104.1000112.3W129 L153 S154 Y160 H161 L221 V227 E464W129-F157 HydrophobicContact CH2-CD2 4.06Å; W129-F157 HydrophobicContact CH2-CE2 4.2Å; W129-F157 AromaticContact CZ3-CD2 3.94Å; W129-F157 HydrophobicContact CZ3-CD2 3.94Å; W129-F157 HydrophobicContact CZ3-CE2 4.26Å; L153-F157 PolarHBondContact O-N 2.55Å; S154-F157 PolarHBondContact O-N 2.64Å; F157-Y160 PolarHBondContact O-N 3.33Å; F157-H161 WeakPolarHBondContact O-CB 3.43Å; F157-H161 PolarHBondContact O-N 3.1Å; F157-L221 HydrophobicContact CE2-CB 4.17Å; F157-L221 HydrophobicContact CE2-CD1 4.21Å; F157-L221 HydrophobicContact CZ-CB 3.98Å; F157-L221 HydrophobicContact CZ-CD1 4.05Å; F157-V227 HydrophobicContact CB-CG2 4.09Å; F157-V227 HydrophobicContact CD2-CG2 4.1Å; F157-V227 HydrophobicContact CG-CG2 4.31Å; F157-E464 HydrophobicContact CD1-CB 3.96Å; F157-E464 HydrophobicContact CD1-CG 4.4Å; F157-E464 HydrophobicContact CE1-CB 3.45Å; F157-E464 VanDerWaalsContact CE1-CB 3.45Å; F157-E464 HydrophobicContact CE1-CG 3.69Å; F157-E464 HydrophobicContact CE2-CB 4.13Å; F157-E464 HydrophobicContact CG-CB 4.49Å; F157-E464 HydrophobicContact CZ-CB 3.53Å; F157-E464 HydrophobicContact CZ-CG 4.08Å
158R89.6Confident90.8Very high129 Ų12962.4 Ų62.449%0.48730%0.296SS..Hα-helixtrans-61.4-47.8175.6-169.5-175.6-56.6124.49.1111.5S154 D155 F156 Y160 H161 E162S154-R158 WeakPolarHBondContact O-CB 3.41Å; S154-R158 PolarHBondContact O-N 2.83Å; D155-R158 PolarHBondContact O-N 2.87Å; D155-R158 IonicContact OD1-CZ 2.58Å; D155-R158 IonicContact OD1-NH1 3.73Å; D155-R158 PolarHBondContact OD1-NH1 3.01Å; D155-R158 IonicContact OD1-NH2 3.61Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 3.06Å; R158-Y160 PolarHBondContact O-N 3.36Å; R158-H161 PolarHBondContact O-N 2.88Å; R158-E162 WeakPolarHBondContact O-CG 3.42Å; R158-E162 PolarHBondContact O-N 3.07Å
159S90.7Very high90.3Very high63 Ų6361.7 Ų61.744%0.44130%0.295SS..Hα-helixtrans-60.4-45176.3-65.70000111.8D155 F156 H161 E162 E163D155-S159 PolarHBondContact O-N 3.41Å; D155-S159 VanDerWaalsContact O-N 3.1Å; D155-S159 PolarHBondContact O-OG 3.45Å; F156-S159 PolarHBondContact O-N 3.5Å; S159-H161 PolarHBondContact O-N 3.31Å; S159-E162 PolarHBondContact O-N 3.26Å; S159-E163 WeakPolarHBondContact O-CG 3.26Å; S159-E163 PolarHBondContact O-N 2.94Å
160Y89.3Confident89.8Confident47 Ų4768.2 Ų68.218%0.18432%0.323CS..Hα-helixtrans-60.8-44.5176.6-177.9-94.4000112.5W129 F156 F157 R158 E162 E163 E164 L221W129-Y160 AromaticContact CH2-CD1 3.67Å; W129-Y160 HydrophobicContact CH2-CD1 3.67Å; W129-Y160 AromaticContact CH2-CE1 3.82Å; W129-Y160 HydrophobicContact CH2-CE1 3.82Å; W129-Y160 HydrophobicContact CH2-CG 4.08Å; W129-Y160 AromaticContact CZ2-CD1 3.65Å; W129-Y160 HydrophobicContact CZ2-CD1 3.65Å; W129-Y160 AromaticContact CZ2-CD2 3.86Å; W129-Y160 HydrophobicContact CZ2-CD2 3.86Å; W129-Y160 AromaticContact CZ2-CE1 3.54Å; W129-Y160 HydrophobicContact CZ2-CE1 3.54Å; W129-Y160 AromaticContact CZ2-CE2 3.75Å; W129-Y160 HydrophobicContact CZ2-CE2 3.75Å; W129-Y160 AromaticContact CZ2-CG 3.81Å; W129-Y160 HydrophobicContact CZ2-CG 3.81Å; W129-Y160 AromaticContact CZ2-CZ 3.6Å; F156-Y160 PolarHBondContact O-N 2.89Å; F157-Y160 PolarHBondContact O-N 3.33Å; R158-Y160 PolarHBondContact O-N 3.36Å; Y160-E162 VanDerWaalsContact C-N 3.34Å; Y160-E162 PolarHBondContact O-N 3.37Å; Y160-E163 PolarHBondContact O-N 3.11Å; Y160-E164 HydrophobicContact CD1-CG 4.23Å; Y160-E164 HydrophobicContact CE1-CG 3.6Å; Y160-E164 HydrophobicContact CE2-CG 4.28Å; Y160-E164 PolarHBondContact O-N 2.85Å; Y160-L221 HydrophobicContact CD1-CD1 3.97Å; Y160-L221 HydrophobicContact CE1-CD1 4.04Å
161H85.6Confident89.3Confident52 Ų5272 Ų7224%0.24134%0.344CS..Hα-helixtrans-63.3-39.4179.1-179.6-87.3000112.2F157 R158 S159 K165 L221F157-H161 WeakPolarHBondContact O-CB 3.43Å; F157-H161 PolarHBondContact O-N 3.1Å; R158-H161 PolarHBondContact O-N 2.88Å; S159-H161 PolarHBondContact O-N 3.31Å; H161-K165 VanDerWaalsContact O-CB 3.27Å; H161-K165 WeakPolarHBondContact O-CB 3.17Å; H161-K165 PolarHBondContact O-N 3.49Å; H161-L221 HydrophobicContact CB-CD1 4.01Å
162E87.3Confident88.7Confident119 Ų11973.8 Ų73.856%0.55635%0.349SS*.Hα-helixtrans-63.7-43.6174.6-73.6174.7-17600112.1R158 S159 Y160 K165 A166R158-E162 WeakPolarHBondContact O-CG 3.42Å; R158-E162 PolarHBondContact O-N 3.07Å; S159-E162 PolarHBondContact O-N 3.26Å; Y160-E162 VanDerWaalsContact C-N 3.34Å; Y160-E162 PolarHBondContact O-N 3.37Å; E162-K165 PolarHBondContact O-N 2.93Å; E162-A166 WeakPolarHBondContact O-CB 3.46Å; E162-A166 PolarHBondContact O-N 3.18Å
163E88.4Confident88Confident131 Ų13174.3 Ų74.361%0.61236%0.36SS*.Hα-helixtrans-62.7-46.4175.9-72.8178.5-176.200112S159 Y160 K165 A166 R167S159-E163 WeakPolarHBondContact O-CG 3.26Å; S159-E163 PolarHBondContact O-N 2.94Å; Y160-E163 PolarHBondContact O-N 3.11Å; E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 PolarHBondContact O-N 3.45Å; E163-A166 PolarHBondContact O-N 3.48Å; E163-R167 WeakPolarHBondContact O-CB 3.47Å; E163-R167 PolarHBondContact O-N 2.62Å
164E85.1Confident87.5Confident33 Ų3378.2 Ų78.215%0.15438%0.378CS..Hα-helixtrans-65.9-35.9177.4-84.4-58.6103.400112.3Y160 R167 R168Y160-E164 HydrophobicContact CD1-CG 4.23Å; Y160-E164 HydrophobicContact CE1-CG 3.6Å; Y160-E164 HydrophobicContact CE2-CG 4.28Å; Y160-E164 PolarHBondContact O-N 2.85Å; E164-R167 PolarHBondContact O-N 2.79Å; E164-R167 IonicContact OE1-CZ 2.82Å; E164-R167 IonicContact OE1-NE 3.33Å; E164-R167 PolarHBondContact OE1-NE 2.86Å; E164-R167 IonicContact OE1-NH2 2.67Å; E164-R167 IonicContact OE2-CZ 3.08Å; E164-R167 IonicContact OE2-NE 3.2Å; E164-R167 PolarHBondContact OE2-NE 3.31Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 2.88Å; E164-R168 WeakPolarHBondContact O-CB 3.36Å; E164-R168 WeakPolarHBondContact O-CG 3.43Å; E164-R168 PolarHBondContact O-N 3.36Å; E164-R168 PolarHBondContact O-NE 3.3Å
165K84.1Confident86.8Confident102 Ų10279.8 Ų79.844%0.44339%0.392SS..Hα-helixtrans-62.5-47.6172.6-174.5177.3178.8177.10110.9H161 E162 E163 R167 R168 D169H161-K165 VanDerWaalsContact O-CB 3.27Å; H161-K165 WeakPolarHBondContact O-CB 3.17Å; H161-K165 PolarHBondContact O-N 3.49Å; E162-K165 PolarHBondContact O-N 2.93Å; E163-K165 VanDerWaalsContact C-N 3.33Å; E163-K165 PolarHBondContact O-N 3.45Å; K165-R167 VanDerWaalsContact C-N 3.34Å; K165-R167 PolarHBondContact O-N 2.9Å; K165-R168 PolarHBondContact O-N 3.39Å; K165-D169 WeakPolarHBondContact O-CB 3.49Å; K165-D169 VanDerWaalsContact O-CG 3.31Å; K165-D169 PolarHBondContact O-N 3.45Å
166A87.7Confident85.9Confident61 Ų6180.5 Ų80.550%0.50440%0.402SS..Hα-helixtrans-61.2-41.417700000112.2E162 E163 D169 K170E162-A166 WeakPolarHBondContact O-CB 3.46Å; E162-A166 PolarHBondContact O-N 3.18Å; E163-A166 PolarHBondContact O-N 3.48Å; A166-D169 PolarHBondContact O-N 3.37Å; A166-K170 WeakPolarHBondContact O-CB 3.33Å; A166-K170 PolarHBondContact O-N 3.49Å
167R86.3Confident85Confident128 Ų12884.7 Ų84.748%0.48342%0.422SS..Hα-helixtrans-61.4-45.1175.9-168.3-177.269.483.60.9111.6E163 E164 K165 K170 L171E163-R167 WeakPolarHBondContact O-CB 3.47Å; E163-R167 PolarHBondContact O-N 2.62Å; E164-R167 PolarHBondContact O-N 2.79Å; E164-R167 IonicContact OE1-CZ 2.82Å; E164-R167 IonicContact OE1-NE 3.33Å; E164-R167 PolarHBondContact OE1-NE 2.86Å; E164-R167 IonicContact OE1-NH2 2.67Å; E164-R167 IonicContact OE2-CZ 3.08Å; E164-R167 IonicContact OE2-NE 3.2Å; E164-R167 PolarHBondContact OE2-NE 3.31Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 2.88Å; K165-R167 VanDerWaalsContact C-N 3.34Å; K165-R167 PolarHBondContact O-N 2.9Å; R167-K170 PolarHBondContact O-N 3.24Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.24Å
168R83.3Confident84Confident52 Ų5289.5 Ų89.520%0.19645%0.448CS..Hα-helixtrans-64.2-43.1176.8-76.7-177.4-74.2116-14112.3E164 K165 K170 L171 K172 P219E164-R168 WeakPolarHBondContact O-CB 3.36Å; E164-R168 WeakPolarHBondContact O-CG 3.43Å; E164-R168 PolarHBondContact O-N 3.36Å; E164-R168 PolarHBondContact O-NE 3.3Å; K165-R168 PolarHBondContact O-N 3.39Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-K170 PolarHBondContact O-N 3.06Å; R168-L171 PolarHBondContact O-N 3.5Å; R168-K172 WeakPolarHBondContact O-CG 3.43Å; R168-K172 PolarHBondContact O-N 3.16Å; R168-P219 VanDerWaalsContact NH1-CG 3.31Å
169D85.5Confident82.9Confident77 Ų7789.2 Ų89.241%0.41245%0.453SS..Hα-helixtrans-66.7-36.9180-70.1-17.2000111.2K165 A166 K172 A173K165-D169 WeakPolarHBondContact O-CB 3.49Å; K165-D169 VanDerWaalsContact O-CG 3.31Å; K165-D169 PolarHBondContact O-N 3.45Å; A166-D169 PolarHBondContact O-N 3.37Å; D169-K172 PolarHBondContact O-N 3.1Å; D169-A173 WeakPolarHBondContact O-CB 3.48Å; D169-A173 PolarHBondContact O-N 3.13Å
170K87.8Confident81.7Confident138 Ų13888.9 Ų88.960%0.645%0.454SS*.Hα-helixtrans-62.2-48.2171.7-171.4-178.5178.9-169.90112.3A166 R167 R168 K172 A173 E174A166-K170 WeakPolarHBondContact O-CB 3.33Å; A166-K170 PolarHBondContact O-N 3.49Å; R167-K170 PolarHBondContact O-N 3.24Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-K170 PolarHBondContact O-N 3.06Å; K170-K172 VanDerWaalsContact C-N 3.3Å; K170-K172 PolarHBondContact O-N 3.33Å; K170-A173 WeakPolarHBondContact O-CB 3.43Å; K170-A173 PolarHBondContact O-N 3.16Å; K170-A173 VanDerWaalsContact O-N 3.16Å; K170-E174 WeakPolarHBondContact CE-OE1 3.41Å; K170-E174 WeakPolarHBondContact O-CG 3.29Å; K170-E174 PolarHBondContact O-N 3.13Å
171L84.6Confident80.2Confident84 Ų8489.5 Ų89.544%0.4447%0.469SS..Hα-helixtrans-61.6-38177.2-73170.5000112.3R167 R168 A175R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.24Å; R168-L171 PolarHBondContact O-N 3.5Å; L171-A175 WeakPolarHBondContact O-CB 3.41Å; L171-A175 PolarHBondContact O-N 3.19Å
172K84.1Confident78.8Confident136 Ų13690.4 Ų90.459%0.59149%0.485SS*.Hα-helixtrans-65.2-40.8174.1-76.6177.1-178.7175.80112.1R168 D169 K170 S176R168-K172 WeakPolarHBondContact O-CG 3.43Å; R168-K172 PolarHBondContact O-N 3.16Å; D169-K172 PolarHBondContact O-N 3.1Å; K170-K172 VanDerWaalsContact C-N 3.3Å; K170-K172 PolarHBondContact O-N 3.33Å; K172-S176 WeakPolarHBondContact O-CB 3.48Å; K172-S176 PolarHBondContact O-N 3.47Å
173A82.4Confident77Confident48 Ų4894.2 Ų94.240%0.39749%0.494SS..Hα-helixtrans-63.2-48176.100000111.1D169 K170 A175 S176 E177D169-A173 WeakPolarHBondContact O-CB 3.48Å; D169-A173 PolarHBondContact O-N 3.13Å; K170-A173 WeakPolarHBondContact O-CB 3.43Å; K170-A173 PolarHBondContact O-N 3.16Å; K170-A173 VanDerWaalsContact O-N 3.16Å; A173-A175 PolarHBondContact O-N 2.84Å; A173-S176 PolarHBondContact O-N 3.49Å; A173-E177 WeakPolarHBondContact O-CG 3.37Å; A173-E177 PolarHBondContact O-N 3.49Å
174E84.2Confident75Confident83 Ų8393.3 Ų93.339%0.38850%0.498SS..Hα-helixtrans-60.6-42177.2-70.6172.8-177.700112.1K170 E177 L178K170-E174 WeakPolarHBondContact CE-OE1 3.41Å; K170-E174 WeakPolarHBondContact O-CG 3.29Å; K170-E174 PolarHBondContact O-N 3.13Å; E174-E177 PolarHBondContact O-N 3.09Å; E174-L178 WeakPolarHBondContact O-CG 3.25Å; E174-L178 PolarHBondContact O-N 3.22Å
175A77.8Confident72.8Confident52 Ų5296.7 Ų96.743%0.4352%0.521SS..Hα-helixtrans-64.9-40.7175.600000112.4L171 A173 E177 L178 E179L171-A175 WeakPolarHBondContact O-CB 3.41Å; L171-A175 PolarHBondContact O-N 3.19Å; A173-A175 PolarHBondContact O-N 2.84Å; A175-E177 VanDerWaalsContact C-N 3.34Å; A175-L178 PolarHBondContact O-N 2.99Å; A175-E179 PolarHBondContact O-N 3.34Å
176S75.9Confident70.9Confident76 Ų7698 Ų9853%0.53154%0.54SS..Hα-helixtrans-67.3-34.4176.6-172.80000112.2K172 A173 A180K172-S176 WeakPolarHBondContact O-CB 3.48Å; K172-S176 PolarHBondContact O-N 3.47Å; A173-S176 PolarHBondContact O-N 3.49Å; S176-A180 VanDerWaalsContact O-CB 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.34Å; S176-A180 PolarHBondContact O-N 3Å
177E74.1Confident68.5Low139 Ų139101.8 Ų101.865%0.6556%0.556SS**Hα-helixtrans-68.8-40.1174.5-75.1-178.6178.500111.7A173 E174 A175 A180 A181A173-E177 WeakPolarHBondContact O-CG 3.37Å; A173-E177 PolarHBondContact O-N 3.49Å; E174-E177 PolarHBondContact O-N 3.09Å; A175-E177 VanDerWaalsContact C-N 3.34Å; E177-A180 PolarHBondContact O-N 3.43Å; E177-A181 VanDerWaalsContact O-CB 3.3Å; E177-A181 WeakPolarHBondContact O-CB 3.21Å; E177-A181 PolarHBondContact O-N 3.08Å
178L70.1Confident65.9Low129 Ų129103.5 Ų103.568%0.67557%0.572SS**Hα-helixtrans-65-40.5174.4-73.5165.5000112.2E174 A175 A181 A182E174-L178 WeakPolarHBondContact O-CG 3.25Å; E174-L178 PolarHBondContact O-N 3.22Å; A175-L178 PolarHBondContact O-N 2.99Å; L178-A181 PolarHBondContact O-N 3.17Å; L178-A182 WeakPolarHBondContact O-CB 3.39Å; L178-A182 PolarHBondContact O-N 3.45Å
179E67.1Low63.7Low123 Ų123106.9 Ų106.958%0.57560%0.601SS**Hα-helixtrans-67.5-38.5173.2-79.7-163.3165.900112.7A175 A182 R183A175-E179 PolarHBondContact O-N 3.34Å; E179-A182 PolarHBondContact O-N 3.22Å; E179-R183 WeakPolarHBondContact O-CG 3.31Å; E179-R183 PolarHBondContact O-N 3.25Å; E179-R183 VanDerWaalsContact O-N 3.17Å
180A64.1Low61Low57 Ų57108.9 Ų108.947%0.47162%0.621SS.*Hα-helixtrans-65.7-40.6175.600000111.6S176 E177 A182 R183 T184S176-A180 VanDerWaalsContact O-CB 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.34Å; S176-A180 PolarHBondContact O-N 3Å; E177-A180 PolarHBondContact O-N 3.43Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 2.83Å; A180-R183 PolarHBondContact O-N 3.43Å; A180-T184 PolarHBondContact O-N 3.12Å
181A57.9Low58.3Low60 Ų60112.2 Ų112.250%0.49664%0.635SS.*Hα-helixtrans-65.8-34.1174.800000112.6E177 L178 R183 T184E177-A181 VanDerWaalsContact O-CB 3.3Å; E177-A181 WeakPolarHBondContact O-CB 3.21Å; E177-A181 PolarHBondContact O-N 3.08Å; L178-A181 PolarHBondContact O-N 3.17Å; A181-R183 VanDerWaalsContact C-N 3.33Å; A181-R183 PolarHBondContact O-N 2.92Å; A181-T184 WeakPolarHBondContact CA-OG1 3.43Å; A181-T184 PolarHBondContact O-N 2.79Å; A181-T184 PolarHBondContact O-OG1 3.33Å
182A56.2Low55.7Low70 Ų70116.7 Ų116.758%0.57965%0.654SS**Hα-helixtrans-69.6-27.2174.100000113.1L178 E179 A180L178-A182 WeakPolarHBondContact O-CB 3.39Å; L178-A182 PolarHBondContact O-N 3.45Å; E179-A182 PolarHBondContact O-N 3.22Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 2.83Å
183R50.7Low53.1Low200 Ų200120 Ų12076%0.75567%0.668SS**Hα-helixtrans-79.9-12.8175.1-70.3179.7-170.6-172.26.6113.7E179 A180 A181 T185E179-R183 WeakPolarHBondContact O-CG 3.31Å; E179-R183 PolarHBondContact O-N 3.25Å; E179-R183 VanDerWaalsContact O-N 3.17Å; A180-R183 PolarHBondContact O-N 3.43Å; A181-R183 VanDerWaalsContact C-N 3.33Å; A181-R183 PolarHBondContact O-N 2.92Å; R183-T185 PolarHBondContact O-N 3.41Å
184T44.9Very low50.4Low112 Ų112127.2 Ų127.269%0.68769%0.691SS**  trans-92.563.517344.60000112A180 A181A180-T184 PolarHBondContact O-N 3.12Å; A181-T184 WeakPolarHBondContact CA-OG1 3.43Å; A181-T184 PolarHBondContact O-N 2.79Å; A181-T184 PolarHBondContact O-OG1 3.33Å
185T40.9Very low47.7Very low103 Ų103129 Ų12963%0.63271%0.712SS**SBendtrans-115.3138160.842.30000109R183 V187R183-T185 PolarHBondContact O-N 3.41Å; T185-V187 PolarHBondContact O-N 2.9Å
186P42.4Very low45.3Very low130 Ų130131.8 Ų131.884%0.84474%0.735SS**PPolyproline II helixtrans-72.3121.2-166.927.9-33.5000111.6M188P186-M188 PolarHBondContact O-N 3.23Å
187V38.1Very low43Very low141 Ų141132 Ų13286%0.85575%0.749SS**PPolyproline II helixtrans-72.2120.3171.71760000109.5T185T185-V187 PolarHBondContact O-N 2.9Å
188M31.7Very low40.8Very low164 Ų164135.2 Ų135.281%0.80876%0.761SS**PPolyproline II helixtrans-72.6149.8165.6-82.4-166.367.500111.7P186P186-M188 PolarHBondContact O-N 3.23Å
189P36.3Very low38.8Very low123 Ų123135.9 Ų135.980%0.79977%0.77SS**PPolyproline II helixtrans-76.9132.1-168.331.3-32.8000111.3
190S30.7Very low36.9Very low119 Ų119135.4 Ų135.483%0.83278%0.78SS**  trans-114145.7166.463.80000111.1
191K31.1Very low35.1Very low208 Ų208136.1 Ų136.190%0.90479%0.794SS**  trans-61.8144.4-155.2-74.1165.5171.1172.20115.3K193K191-K193 PolarHBondContact O-N 3.49Å
192E29.5Very low34Very low178 Ų178143.6 Ų143.683%0.83282%0.815SS**  trans-49129.9159.6-65.3-178138.500112.1
193K28Very low32.7Very low206 Ų206149.6 Ų149.690%0.89683%0.828SS**  trans-132.6112.4147.8-96-174.8177.3178.20108.9K191K191-K193 PolarHBondContact O-N 3.49Å
194K27.7Very low31.6Very low199 Ų199145.1 Ų145.187%0.86583%0.827SS**  trans-66.1127.3166.6-72.6175.2175.1172.50109.7
195S26.3Very low30.8Very low119 Ų119146 Ų14683%0.83283%0.833SS**  trans-147.9118.1141.553.90000109.7
196A28.5Very low30.3Very low111 Ų111146.8 Ų146.892%0.91784%0.837SS**  trans-81.4143.517300000109.7
197G27Very low29.9Very low81 Ų81146.6 Ų146.684%0.83583%0.833SS**  trans-178.277.3174.800000112.2
198K26.8Very low30.1Very low207 Ų207148 Ų14890%0.983%0.83SS**  trans-83.7120.6176.6-168.8-177.3-169.7179.30109.1
199V28.1Very low30.9Very low143 Ų143147.3 Ų147.387%0.86782%0.822SS**  trans-139.2118.1153.6-178.50000109.5
200S28.1Very low32Very low112 Ų112150.3 Ų150.378%0.78383%0.826SS**  trans-71.8131.7174.552.50000111.7
201G26.9Very low33.6Very low73 Ų73146.9 Ų146.975%0.75380%0.796SS**  trans-137.499.4166.500000110.4K203G201-K203 PolarHBondContact O-N 3.39Å
202K35.1Very low35.5Very low216 Ų216139 Ų13994%0.93977%0.766SS**  trans-56120166.3-87.7173.8169.5175.10109.2
203K27.7Very low37.4Very low197 Ų197135.3 Ų135.386%0.85776%0.758SS**  trans-132.4112.7153-88.4-174176.7177.90109.5G201G201-K203 PolarHBondContact O-N 3.39Å
204S27.6Very low39.2Very low105 Ų105128.9 Ų128.973%0.73474%0.737SS**  trans1.8114.9157.343.60000116.9V206S204-V206 PolarHBondContact O-N 3.44Å
205V27.7Very low40.8Very low132 Ų132124.5 Ų124.580%0.872%0.72SS**  trans-63.896.9159.6177.90000107.4V207V205-V207 HydrophobicContact CG1-CG2 4.27Å; V205-V207 PolarHBondContact O-N 3.39Å
206V32Very low42.3Very low119 Ų119123.7 Ų123.772%0.72171%0.711SS**  trans-69.5120.1151.3176.70000104.1S204 E208S204-V206 PolarHBondContact O-N 3.44Å; V206-E208 PolarHBondContact O-N 3.39Å
207V32.9Very low43.6Very low125 Ų125124.3 Ų124.376%0.75871%0.706SS**  trans-68.286.4168.6179.40000105.7V205 K209V205-V207 HydrophobicContact CG1-CG2 4.27Å; V205-V207 PolarHBondContact O-N 3.39Å; V207-K209 PolarHBondContact O-N 3.5Å
208E42Very low45Very low172 Ų172127.1 Ų127.180%0.80470%0.697SS**  trans-64105.9170.9-158.3169.1-148.400105.3V206 Q210V206-E208 PolarHBondContact O-N 3.39Å; E208-Q210 PolarHBondContact O-N 3.09Å
209K49.3Very low46.6Very low148 Ų148120 Ų12064%0.64367%0.672SS**  trans-55.7106.3178-170.3172.3-176.1168.20106.1V207 F211 E423V207-K209 PolarHBondContact O-N 3.5Å; K209-F211 PolarHBondContact O-N 3.23Å; K209-F211 VanDerWaalsContact O-N 3.13Å; K209-E423 IonicContact NZ-OE1 3.18Å; K209-E423 PolarHBondContact NZ-OE1 2.75Å; K209-E423 IonicContact NZ-OE2 2.95Å; K209-E423 PolarHBondContact NZ-OE2 3.46Å
210Q58.3Low48.4Very low186 Ų186116.6 Ų116.687%0.86965%0.649SS**PPolyproline II helixtrans-54.4122.3-176.6-91.1176.9-25.200108.6E208E208-Q210 PolarHBondContact O-N 3.09Å
211F65.9Low50.5Low48 Ų48112.2 Ų112.221%0.21162%0.617CS.*PPolyproline II helixtrans-62.4128.9176-166.8-106.5000108K209 V376 Y378 P393K209-F211 PolarHBondContact O-N 3.23Å; K209-F211 VanDerWaalsContact O-N 3.13Å; F211-V376 HydrophobicContact CE1-CG1 3.39Å; F211-V376 HydrophobicContact CZ-CG1 3.69Å; F211-Y378 HydrophobicContact CD1-CD1 4.22Å; F211-Y378 HydrophobicContact CE1-CD1 4.08Å; F211-Y378 HydrophobicContact CE1-CE1 4.28Å; F211-P393 HydrophobicContact CE2-CG 4.15Å
212P70.7Confident52.8Low42 Ų42110.3 Ų110.327%0.27359%0.589SS.*PPolyproline II helixtrans-54.5133.2-174.4-2532.4000110.5R418 E420 E421P212-R418 PolarHBondContact O-NH1 3.05Å; P212-R418 PolarHBondContact O-NH2 2.89Å; P212-R418 VanDerWaalsContact O-NH2 3.14Å; P212-E420 HydrophobicContact CB-CB 3.87Å; P212-E420 HydrophobicContact CG-CB 4.38Å; P212-E421 HydrophobicContact CG-CG 4.35Å
213P69.4Low54.9Low101 Ų101100.8 Ų100.866%0.65655%0.548SS*.PPolyproline II helixtrans-60152.8178.125.5-33.1000110.4E215 R418P213-E215 PolarHBondContact O-N 3.45Å; P213-R418 PolarHBondContact O-NH2 2.93Å
214P65.4Low57.4Low70 Ų7091.4 Ų91.446%0.45551%0.507SS..PPolyproline II helixtrans-58.813517222.2-28.7000109.5Y378P214-Y378 HydrophobicContact CB-CD1 4.36Å; P214-Y378 HydrophobicContact CB-CE1 3.61Å; P214-Y378 HydrophobicContact CB-CE2 4.45Å; P214-Y378 HydrophobicContact CG-CD1 4.2Å; P214-Y378 HydrophobicContact CG-CE1 3.95Å
215E61.3Low60.2Low108 Ų10886.6 Ų86.651%0.50547%0.473SS..PPolyproline II helixtrans-65.1129163.1-167.8170.5-161.600107.4P213 K445P213-E215 PolarHBondContact O-N 3.45Å; E215-K445 WeakPolarHBondContact OE2-CE 3.24Å; E215-K445 IonicContact OE2-NZ 2.81Å; E215-K445 PolarHBondContact OE2-NZ 2.79Å
216P57.3Low63.2Low102 Ų10280.3 Ų80.366%0.66244%0.435SS*.PPolyproline II helixtrans-59.4131.5178.321.7-29.7000108.8E218P216-E218 PolarHBondContact O-N 2.77Å; P216-E218 VanDerWaalsContact O-N 3.15Å
217P55.6Low66Low124 Ų12474.6 Ų74.681%0.80540%0.4SS*.PPolyproline II helixtrans-61.2122.3177.723.9-31.2000108.7
218E57.6Low68.7Low139 Ų13968.7 Ų68.765%0.6536%0.364SS*.PPolyproline II helixtrans-65.1130.3167.8-71.2-166.515100108.3P216 L220P216-E218 PolarHBondContact O-N 2.77Å; P216-E218 VanDerWaalsContact O-N 3.15Å; E218-L220 PolarHBondContact O-N 3.1Å
219P59.8Low71Confident58 Ų5860.5 Ų60.538%0.37733%0.326SS..PPolyproline II helixtrans-68.1122.7178.424.2-27.7000109.2R168R168-P219 VanDerWaalsContact NH1-CG 3.31Å
220L65Low73.2Confident72 Ų7253.4 Ų53.438%0.37730%0.295SS..PPolyproline II helixtrans-72.2125.6175.7-64.8160000108.9H107 E218 L222H107-L220 WeakPolarHBondContact CE1-CD1 3.34Å; H107-L220 WeakPolarHBondContact NE2-CD1 3.5Å; E218-L220 PolarHBondContact O-N 3.1Å; L220-L222 HydrophobicContact CB-CD1 4.32Å; L220-L222 PolarHBondContact O-N 2.91Å
221L73.7Confident74.9Confident20 Ų2044.6 Ų44.611%0.10525%0.254CS..  trans-9099.3173.6-61.4-178.1000108.6F157 Y160 H161 E223 G224F157-L221 HydrophobicContact CE2-CB 4.17Å; F157-L221 HydrophobicContact CE2-CD1 4.21Å; F157-L221 HydrophobicContact CZ-CB 3.98Å; F157-L221 HydrophobicContact CZ-CD1 4.05Å; Y160-L221 HydrophobicContact CD1-CD1 3.97Å; Y160-L221 HydrophobicContact CE1-CD1 4.04Å; H161-L221 HydrophobicContact CB-CD1 4.01Å; L221-E223 PolarHBondContact O-N 3.32Å; L221-G224 PolarHBondContact O-N 3.25Å; L221-G224 VanDerWaalsContact O-N 3.07Å
222L73.8Confident76.2Confident33 Ų3342.7 Ų42.717%0.17325%0.246CC..G310 helixtrans-64.1-27.6-175.6-86.773000112H122 L220 G224 M225 N463H122-L222 HydrophobicContact CB-CB 3.83Å; L220-L222 HydrophobicContact CB-CD1 4.32Å; L220-L222 PolarHBondContact O-N 2.91Å; L222-G224 PolarHBondContact O-N 3.43Å; L222-G224 VanDerWaalsContact O-N 3.1Å; L222-M225 WeakPolarHBondContact O-CB 3.32Å; L222-M225 VanDerWaalsContact O-CG 3.29Å; L222-M225 WeakPolarHBondContact O-CG 2.69Å; L222-M225 PolarHBondContact O-N 3.4Å; L222-N463 PolarHBondContact O-ND2 2.96Å
223E78.9Confident77.3Confident15 Ų1540.7 Ų40.77%0.0723%0.233CC..G310 helixtrans-58-22174.9-53.287.4168.300112.6H122 T125 W129 L221 M225 A226H122-E223 HydrophobicContact CB-CG 4.28Å; H122-E223 IonicContact CE1-OE1 2.61Å; H122-E223 PolarHBondContact CE1-OE1 2.94Å; H122-E223 IonicContact CG-OE1 2.86Å; H122-E223 IonicContact ND1-OE1 3.02Å; H122-E223 PolarHBondContact ND1-OE1 2.9Å; H122-E223 IonicContact ND1-OE2 2.65Å; T125-E223 HydrophobicContact CG2-CB 4.44Å; T125-E223 HydrophobicContact CG2-CG 3.73Å; W129-E223 HydrophobicContact CE3-CB 4.45Å; W129-E223 HydrophobicContact CH2-CB 3.68Å; W129-E223 HydrophobicContact CZ2-CB 3.95Å; W129-E223 HydrophobicContact CZ3-CB 3.94Å; L221-E223 PolarHBondContact O-N 3.32Å; E223-M225 PolarHBondContact O-N 2.73Å; E223-A226 WeakPolarHBondContact O-CB 3.21Å; E223-A226 PolarHBondContact O-N 2.98Å; E223-A226 VanDerWaalsContact O-N 3.08Å
224G82.1Confident78.6Confident0 Ų035.9 Ų35.90%020%0.202CC..G310 helixtrans-51.3-22.5171.200000113.5L221 L222 A226 V227 G228 N463L221-G224 PolarHBondContact O-N 3.25Å; L221-G224 VanDerWaalsContact O-N 3.07Å; L222-G224 PolarHBondContact O-N 3.43Å; L222-G224 VanDerWaalsContact O-N 3.1Å; G224-A226 PolarHBondContact O-N 3.38Å; G224-V227 WeakPolarHBondContact O-CA 3.37Å; G224-V227 VanDerWaalsContact O-CB 3.27Å; G224-V227 WeakPolarHBondContact O-CB 3.43Å; G224-V227 PolarHBondContact O-N 2.81Å; G224-G228 PolarHBondContact O-N 2.85Å; G224-N463 CarbonylContact C-O 3.57Å; G224-N463 CarbonylContact O-C 3.2Å
225M85.4Confident80Confident4 Ų432.6 Ų32.62%0.0218%0.18CC..Hα-helixtrans-56.6-26.4177.566-174.5144.600113V84 V104 H122 V123 A126 L222 E223 V227 S229 N463V84-M225 HydrophobicContact CG2-CE 4.32Å; V84-M225 HydrophobicContact CG2-SD 4.16Å; V104-M225 WeakPolarHBondContact O-CB 3.47Å; H122-M225 HydrophobicContact CB-CE 4.3Å; H122-M225 WeakPolarHBondContact O-CE 3.42Å; V123-M225 HydrophobicContact CB-CE 4.22Å; V123-M225 HydrophobicContact CG2-CE 3.66Å; V123-M225 HydrophobicContact CG2-SD 4.35Å; A126-M225 HydrophobicContact CB-CE 3.77Å; A126-M225 HydrophobicContact CB-CG 4.11Å; L222-M225 WeakPolarHBondContact O-CB 3.32Å; L222-M225 VanDerWaalsContact O-CG 3.29Å; L222-M225 WeakPolarHBondContact O-CG 2.69Å; L222-M225 PolarHBondContact O-N 3.4Å; E223-M225 PolarHBondContact O-N 2.73Å; M225-V227 VanDerWaalsContact C-N 3.35Å; M225-S229 WeakPolarHBondContact O-CB 3.26Å; M225-S229 PolarHBondContact O-N 3.27Å; M225-S229 PolarHBondContact O-OG 3.35Å; M225-N463 WeakPolarHBondContact CA-O 3.45Å; M225-N463 HydrophobicContact CB-CB 4.17Å
226A90.5Very high81.6Confident0 Ų029.4 Ų29.40%017%0.165CC..Hα-helixtrans-63.9-40.517300000111.7A126 W129 I130 F134 E223 G224 V230A126-A226 HydrophobicContact CB-CB 3.95Å; W129-A226 HydrophobicContact CE3-CB 4.18Å; I130-A226 HydrophobicContact CD1-CB 4.02Å; I130-A226 HydrophobicContact CG1-CB 3.98Å; F134-A226 HydrophobicContact CD2-CB 4.41Å; F134-A226 HydrophobicContact CE2-CB 3.69Å; E223-A226 WeakPolarHBondContact O-CB 3.21Å; E223-A226 PolarHBondContact O-N 2.98Å; E223-A226 VanDerWaalsContact O-N 3.08Å; G224-A226 PolarHBondContact O-N 3.38Å; A226-V230 WeakPolarHBondContact O-CB 3.3Å; A226-V230 WeakPolarHBondContact O-CG2 3.46Å; A226-V230 PolarHBondContact O-N 2.88Å
227V91.9Very high83.4Confident0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-63.3-56.2179.1172.20000110.4F134 L153 F157 G224 M225 S229 V230 S231 E464 T466F134-V227 HydrophobicContact CE2-CG2 4.27Å; F134-V227 HydrophobicContact CZ-CG2 3.77Å; L153-V227 HydrophobicContact CB-CG1 4.01Å; F157-V227 HydrophobicContact CB-CG2 4.09Å; F157-V227 HydrophobicContact CD2-CG2 4.1Å; F157-V227 HydrophobicContact CG-CG2 4.31Å; G224-V227 WeakPolarHBondContact O-CA 3.37Å; G224-V227 VanDerWaalsContact O-CB 3.27Å; G224-V227 WeakPolarHBondContact O-CB 3.43Å; G224-V227 PolarHBondContact O-N 2.81Å; M225-V227 VanDerWaalsContact C-N 3.35Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 2.85Å; V227-V230 PolarHBondContact O-N 2.61Å; V227-S231 WeakPolarHBondContact O-CB 3.43Å; V227-S231 PolarHBondContact O-N 3.09Å; V227-E464 WeakPolarHBondContact CG1-O 3.22Å; V227-T466 HydrophobicContact CG1-CG2 3.71Å
228G88.7Confident85.3Confident0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-61.1-41.1179.600000112.5G224 S231 L232 N463 T465G224-G228 PolarHBondContact O-N 2.85Å; G228-S231 PolarHBondContact O-N 2.74Å; G228-L232 WeakPolarHBondContact O-CB 3.34Å; G228-L232 PolarHBondContact O-N 3.41Å; G228-N463 WeakPolarHBondContact CA-O 3.42Å; G228-N463 PolarHBondContact N-O 3.17Å; G228-N463 VanDerWaalsContact N-O 3.14Å; G228-T465 WeakPolarHBondContact CA-O 3.46Å
229S90.4Very high87.1Confident0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-66.9-42.6179.9-58.60000112.7V104 M225 V227 A233V104-S229 PolarHBondContact N-OG 3Å; M225-S229 WeakPolarHBondContact O-CB 3.26Å; M225-S229 PolarHBondContact O-N 3.27Å; M225-S229 PolarHBondContact O-OG 3.35Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 2.85Å; S229-A233 VanDerWaalsContact O-CB 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.43Å; S229-A233 PolarHBondContact O-N 2.89Å
230V94.6Very high88.7Confident0 Ų015.2 Ų15.20%07%0.073CC..Hα-helixtrans-64-47.9174.5174.10000110.3L70 V86 I130 F134 L138 L153 A226 V227 L232 A233 V234L70-V230 HydrophobicContact CD1-CG1 4.43Å; V86-V230 HydrophobicContact CB-CG2 4.49Å; V86-V230 HydrophobicContact CG1-CG2 3.83Å; V86-V230 HydrophobicContact CG2-CG2 4.13Å; I130-V230 HydrophobicContact CG1-CG2 4.27Å; F134-V230 HydrophobicContact CD2-CG2 3.87Å; F134-V230 HydrophobicContact CE2-CG2 4.45Å; L138-V230 HydrophobicContact CD1-CG1 3.57Å; L153-V230 HydrophobicContact CD1-CB 4.15Å; L153-V230 HydrophobicContact CD1-CG1 3.88Å; L153-V230 HydrophobicContact CD2-CG1 4.26Å; A226-V230 WeakPolarHBondContact O-CB 3.3Å; A226-V230 WeakPolarHBondContact O-CG2 3.46Å; A226-V230 PolarHBondContact O-N 2.88Å; V227-V230 PolarHBondContact O-N 2.61Å; V230-L232 PolarHBondContact O-N 2.77Å; V230-A233 PolarHBondContact O-N 3.42Å; V230-V234 HydrophobicContact CG1-CG2 4.27Å; V230-V234 WeakPolarHBondContact O-CB 3.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.47Å; V230-V234 PolarHBondContact O-N 3.48Å
231S94.9Very high90Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-55.6-48.9-179.6178.40000111.9Q146 D150 V227 G228 V234 A235 T466 V467Q146-S231 PolarHBondContact NE2-O 3.16Å; Q146-S231 PolarHBondContact NE2-OG 3.47Å; D150-S231 VanDerWaalsContact CG-OG 3.29Å; D150-S231 VanDerWaalsContact OD1-CB 3.26Å; D150-S231 WeakPolarHBondContact OD1-CB 3.49Å; D150-S231 PolarHBondContact OD1-OG 3.42Å; D150-S231 PolarHBondContact OD2-OG 2.93Å; V227-S231 WeakPolarHBondContact O-CB 3.43Å; V227-S231 PolarHBondContact O-N 3.09Å; G228-S231 PolarHBondContact O-N 2.74Å; S231-V234 PolarHBondContact O-N 2.99Å; S231-A235 PolarHBondContact O-N 2.75Å; S231-T466 WeakPolarHBondContact OG-CA 3.29Å; S231-T466 WeakPolarHBondContact OG-CB 3.49Å; S231-V467 PolarHBondContact OG-N 3.13Å
232L93Very high90.8Very high9 Ų918.8 Ų18.85%0.0479%0.086CC..Hα-helixtrans-67.3-40.5178.1-17758.2000112.4A102 V104 G228 V230 V234 A235 K236 V467 L502A102-L232 HydrophobicContact CB-CB 3.96Å; A102-L232 HydrophobicContact CB-CD2 3.97Å; A102-L232 HydrophobicContact CB-CG 3.8Å; V104-L232 HydrophobicContact CG2-CB 4.33Å; V104-L232 HydrophobicContact CG2-CD2 3.96Å; G228-L232 WeakPolarHBondContact O-CB 3.34Å; G228-L232 PolarHBondContact O-N 3.41Å; V230-L232 PolarHBondContact O-N 2.77Å; L232-V234 VanDerWaalsContact C-N 3.28Å; L232-V234 PolarHBondContact O-N 2.91Å; L232-A235 PolarHBondContact O-N 2.95Å; L232-K236 WeakPolarHBondContact O-CG 3.43Å; L232-K236 PolarHBondContact O-N 2.89Å; L232-V467 HydrophobicContact CD1-CG2 4.32Å; L232-L502 HydrophobicContact CD1-CD1 4.27Å
233A93.6Very high91.7Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-64.5-34.3177.200000112V88 S100 A102 S229 V230 S237V88-A233 HydrophobicContact CG2-CB 3.58Å; S100-A233 PolarHBondContact OG-O 2.55Å; A102-A233 HydrophobicContact CB-CB 3.86Å; S229-A233 VanDerWaalsContact O-CB 3.25Å; S229-A233 WeakPolarHBondContact O-CB 3.43Å; S229-A233 PolarHBondContact O-N 2.89Å; V230-A233 PolarHBondContact O-N 3.42Å; A233-S237 PolarHBondContact O-N 3.33Å; A233-S237 PolarHBondContact O-OG 3Å
234V96.4Very high92.3Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-68.3-43.8173.1168.10000110.8I67 V88 P143 I149 V230 S231 L232 K236 S237 G238I67-V234 HydrophobicContact CD1-CG2 4.16Å; V88-V234 HydrophobicContact CG2-CG2 4.15Å; P143-V234 HydrophobicContact CB-CG1 4.48Å; I149-V234 HydrophobicContact CB-CG1 4.44Å; I149-V234 HydrophobicContact CD1-CG1 3.45Å; I149-V234 VanDerWaalsContact CD1-CG1 3.45Å; I149-V234 HydrophobicContact CD1-CG2 4.44Å; I149-V234 HydrophobicContact CG2-CB 4.48Å; I149-V234 HydrophobicContact CG2-CG1 4.16Å; I149-V234 HydrophobicContact CG2-CG2 4.22Å; V230-V234 HydrophobicContact CG1-CG2 4.27Å; V230-V234 WeakPolarHBondContact O-CB 3.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.47Å; V230-V234 PolarHBondContact O-N 3.48Å; S231-V234 PolarHBondContact O-N 2.99Å; L232-V234 VanDerWaalsContact C-N 3.28Å; L232-V234 PolarHBondContact O-N 2.91Å; V234-K236 VanDerWaalsContact C-N 3.31Å; V234-K236 PolarHBondContact O-N 3.48Å; V234-S237 CarbonylContact O-C 3.6Å; V234-S237 WeakPolarHBondContact O-CA 3.34Å; V234-S237 VanDerWaalsContact O-CB 3.27Å; V234-S237 WeakPolarHBondContact O-CB 3.23Å; V234-S237 PolarHBondContact O-N 3.18Å; V234-G238 PolarHBondContact O-N 3.4Å
235A95.3Very high92.9Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-59.6-43.1177.300000112Q146 S231 L232 S237 G238 A239 L246 Y249 I250 V467Q146-A235 VanDerWaalsContact OE1-CB 3.3Å; Q146-A235 VanDerWaalsContact OE1-N 3.09Å; S231-A235 PolarHBondContact O-N 2.75Å; L232-A235 PolarHBondContact O-N 2.95Å; A235-S237 VanDerWaalsContact C-N 3.31Å; A235-S237 PolarHBondContact O-N 2.91Å; A235-G238 PolarHBondContact O-N 3.02Å; A235-A239 PolarHBondContact O-N 2.98Å; A235-L246 HydrophobicContact CB-CD1 4.44Å; A235-Y249 HydrophobicContact CB-CE1 4.41Å; A235-Y249 VanDerWaalsContact O-CD1 3.31Å; A235-Y249 WeakPolarHBondContact O-CD1 3.38Å; A235-Y249 VanDerWaalsContact O-CE1 3.25Å; A235-Y249 WeakPolarHBondContact O-CE1 3.4Å; A235-I250 HydrophobicContact CB-CD1 4.29Å; A235-V467 HydrophobicContact CB-CG1 4.47Å; A235-V467 HydrophobicContact CB-CG2 4.01Å
236K94.8Very high93.3Very high41 Ų4125.4 Ų25.418%0.17814%0.14CC..Hα-helixtrans-61.1-39172.6-70.4177.775.8176.10112.3S100 S101 A102 L232 V234 K240 L246 D496S100-K236 VanDerWaalsContact OG-CB 3.28Å; S100-K236 WeakPolarHBondContact OG-CB 3.45Å; S101-K236 PolarHBondContact O-NZ 2.99Å; A102-K236 HydrophobicContact CB-CD 4.3Å; L232-K236 WeakPolarHBondContact O-CG 3.43Å; L232-K236 PolarHBondContact O-N 2.89Å; V234-K236 VanDerWaalsContact C-N 3.31Å; V234-K236 PolarHBondContact O-N 3.48Å; K236-K240 WeakPolarHBondContact O-CB 3.47Å; K236-K240 PolarHBondContact O-N 2.95Å; K236-L246 HydrophobicContact CG-CD1 4.25Å; K236-L246 HydrophobicContact CG-CD2 3.88Å; K236-D496 WeakPolarHBondContact CE-OD2 3.16Å; K236-D496 IonicContact NZ-OD1 3.08Å; K236-D496 PolarHBondContact NZ-OD1 2.94Å; K236-D496 IonicContact NZ-OD2 2.85Å; K236-D496 PolarHBondContact NZ-OD2 2.95Å
237S95.4Very high93.5Very high0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-64.2-46.5176.3-61.40000111V88 M99 S100 A233 V234 A235 K240 I241V88-S237 WeakPolarHBondContact CB-OG 3.05Å; M99-S237 WeakPolarHBondContact CB-OG 3.01Å; S100-S237 PolarHBondContact OG-N 3.36Å; S100-S237 VanDerWaalsContact OG-N 3.09Å; S100-S237 PolarHBondContact OG-OG 3.22Å; A233-S237 PolarHBondContact O-N 3.33Å; A233-S237 PolarHBondContact O-OG 3Å; V234-S237 CarbonylContact O-C 3.6Å; V234-S237 WeakPolarHBondContact O-CA 3.34Å; V234-S237 VanDerWaalsContact O-CB 3.27Å; V234-S237 WeakPolarHBondContact O-CB 3.23Å; V234-S237 PolarHBondContact O-N 3.18Å; A235-S237 VanDerWaalsContact C-N 3.31Å; A235-S237 PolarHBondContact O-N 2.91Å; S237-K240 PolarHBondContact O-N 2.96Å; S237-I241 WeakPolarHBondContact O-CD1 3.41Å; S237-I241 WeakPolarHBondContact O-CG1 3.48Å; S237-I241 PolarHBondContact O-N 3.14Å
238G95.5Very high93.6Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-57.6-48175.800000112.4V234 A235 K240 I241 K242V234-G238 PolarHBondContact O-N 3.4Å; A235-G238 PolarHBondContact O-N 3.02Å; G238-K240 PolarHBondContact O-N 3.39Å; G238-I241 PolarHBondContact O-N 3.4Å; G238-K242 WeakPolarHBondContact O-CB 3.47Å; G238-K242 WeakPolarHBondContact O-CG 3.29Å; G238-K242 PolarHBondContact O-N 3.09Å
239A94.6Very high93.9Very high4 Ų428.2 Ų28.23%0.03315%0.152CC..Hα-helixtrans-56.8-46.7175.300000112.2A235 I241 K242 G243 M244 L246 Y249A235-A239 PolarHBondContact O-N 2.98Å; A239-I241 PolarHBondContact O-N 3.43Å; A239-K242 CarbonylContact O-C 3.56Å; A239-K242 PolarHBondContact O-N 2.87Å; A239-G243 PolarHBondContact O-N 2.82Å; A239-M244 CarbonylContact C-O 3.58Å; A239-M244 PolarHBondContact O-N 3.44Å; A239-L246 HydrophobicContact CB-CB 4.48Å; A239-L246 HydrophobicContact CB-CD1 4.1Å; A239-Y249 HydrophobicContact CB-CD1 4Å; A239-Y249 HydrophobicContact CB-CD2 4.34Å; A239-Y249 HydrophobicContact CB-CG 3.71Å
240K94.4Very high94.1Very high121 Ų12128.2 Ų28.253%0.52615%0.152SC..Hα-helixtrans-64-39.6178.1-172.1177.8-177.2-174.80112.5S98 M99 K236 S237 G238 G243S98-K240 PolarHBondContact O-NZ 2.93Å; S98-K240 VanDerWaalsContact O-NZ 3.16Å; M99-K240 HydrophobicContact CE-CB 4.41Å; M99-K240 HydrophobicContact CE-CD 4.14Å; M99-K240 HydrophobicContact CE-CG 4.3Å; M99-K240 WeakPolarHBondContact O-CD 3.45Å; M99-K240 WeakPolarHBondContact O-CE 3.4Å; M99-K240 PolarHBondContact O-NZ 2.94Å; K236-K240 WeakPolarHBondContact O-CB 3.47Å; K236-K240 PolarHBondContact O-N 2.95Å; S237-K240 PolarHBondContact O-N 2.96Å; G238-K240 PolarHBondContact O-N 3.39Å; K240-G243 PolarHBondContact O-N 2.68Å
241I92.6Very high94Very high42 Ų4228.4 Ų28.422%0.21515%0.153CC..Hα-helixtrans-66.8-41.3177.6-70.3163.4000110.9P65 V92 M99 P143 S237 G238 A239 G243P65-I241 HydrophobicContact CB-CD1 3.9Å; P65-I241 HydrophobicContact CB-CG2 4.15Å; P65-I241 HydrophobicContact CG-CD1 4.44Å; P65-I241 HydrophobicContact CG-CG2 3.96Å; V92-I241 HydrophobicContact CG2-CD1 4.2Å; V92-I241 HydrophobicContact CG2-CG1 4.07Å; M99-I241 HydrophobicContact CE-CD1 3.85Å; M99-I241 HydrophobicContact CE-CG1 3.3Å; P143-I241 HydrophobicContact CB-CD1 4.14Å; P143-I241 HydrophobicContact CG-CD1 3.33Å; S237-I241 WeakPolarHBondContact O-CD1 3.41Å; S237-I241 WeakPolarHBondContact O-CG1 3.48Å; S237-I241 PolarHBondContact O-N 3.14Å; G238-I241 PolarHBondContact O-N 3.4Å; A239-I241 PolarHBondContact O-N 3.43Å; I241-G243 PolarHBondContact O-N 3.44Å
242K90.7Very high93.9Very high125 Ų12530 Ų3054%0.54317%0.167SC..THydrogen-bonded Turntrans-75.8-5.5176.7-65.7-68.2-175.7174.60113.3G238 A239 M244 Y249G238-K242 WeakPolarHBondContact O-CB 3.47Å; G238-K242 WeakPolarHBondContact O-CG 3.29Å; G238-K242 PolarHBondContact O-N 3.09Å; A239-K242 CarbonylContact O-C 3.56Å; A239-K242 PolarHBondContact O-N 2.87Å; K242-M244 VanDerWaalsContact C-N 3.31Å; K242-M244 HydrophobicContact CB-CE 3.87Å; K242-M244 HydrophobicContact CB-CG 3.98Å; K242-M244 HydrophobicContact CB-SD 4.36Å; K242-M244 PolarHBondContact O-N 2.97Å; K242-Y249 HydrophobicContact CG-CD2 4.34Å; K242-Y249 HydrophobicContact CG-CE2 4.09Å
243G91.5Very high93.8Very high72 Ų7232.2 Ų32.274%0.74218%0.178SC*.THydrogen-bonded Turntrans65.931.2178.300000113.4A239 K240 I241A239-G243 PolarHBondContact O-N 2.82Å; K240-G243 PolarHBondContact O-N 2.68Å; I241-G243 PolarHBondContact O-N 3.44Å
244M92.8Very high93.5Very high61 Ų6134.5 Ų34.530%0.319%0.188SC..SBendtrans-126.4154.1-178.562.5175.270.800112.3A239 K242 K248 Y249A239-M244 CarbonylContact C-O 3.58Å; A239-M244 PolarHBondContact O-N 3.44Å; K242-M244 VanDerWaalsContact C-N 3.31Å; K242-M244 HydrophobicContact CB-CE 3.87Å; K242-M244 HydrophobicContact CB-CG 3.98Å; K242-M244 HydrophobicContact CB-SD 4.36Å; K242-M244 PolarHBondContact O-N 2.97Å; M244-K248 HydrophobicContact SD-CB 4.32Å; M244-Y249 HydrophobicContact CG-CD2 4.45Å; M244-Y249 HydrophobicContact SD-CD2 4.03Å; M244-Y249 HydrophobicContact SD-CG 4.5Å
245P94.5Very high92.6Very high42 Ų4237.6 Ų37.627%0.27321%0.205SC..  trans-58.7149.6172.2-23.233.8000112.3Y247 K248 Y249P245-Y247 HydrophobicContact CB-CD1 3.76Å; P245-Y247 HydrophobicContact CB-CE1 3.31Å; P245-Y247 HydrophobicContact CB-CE2 4.44Å; P245-Y247 HydrophobicContact CB-CG 4.47Å; P245-Y247 HydrophobicContact CG-CE1 4.03Å; P245-Y247 PolarHBondContact O-N 3.13Å; P245-K248 HydrophobicContact CB-CG 4.48Å; P245-K248 PolarHBondContact O-N 2.98Å; P245-K248 VanDerWaalsContact O-N 3.08Å; P245-Y249 PolarHBondContact O-N 3.39Å; P245-Y249 VanDerWaalsContact O-N 3.08Å
246L94.4Very high91.2Very high17 Ų1747.4 Ų47.49%0.08925%0.251CS..Hα-helixtrans-59-43.6-176.4179.363.7000112A235 K236 A239 K248 Y249 I250 D501A235-L246 HydrophobicContact CB-CD1 4.44Å; K236-L246 HydrophobicContact CG-CD1 4.25Å; K236-L246 HydrophobicContact CG-CD2 3.88Å; A239-L246 HydrophobicContact CB-CB 4.48Å; A239-L246 HydrophobicContact CB-CD1 4.1Å; L246-K248 VanDerWaalsContact C-N 3.26Å; L246-K248 PolarHBondContact O-N 3.02Å; L246-Y249 HydrophobicContact CD1-CD1 4.47Å; L246-Y249 WeakPolarHBondContact O-CB 3.4Å; L246-Y249 PolarHBondContact O-N 3.44Å; L246-I250 HydrophobicContact CD1-CD1 4.1Å; L246-I250 HydrophobicContact CD1-CG1 3.99Å; L246-I250 HydrophobicContact CG-CG1 4.14Å; L246-I250 WeakPolarHBondContact O-CG1 3.43Å; L246-I250 PolarHBondContact O-N 3.34Å; L246-D501 HydrophobicContact CB-CB 3.88Å; L246-D501 HydrophobicContact CD2-CB 3.76Å; L246-D501 HydrophobicContact CG-CB 3.81Å
247Y94.4Very high90Very high0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-57.3-36.7176.563.8-95.4000113.6P245 S251 F262 D501 V504 G505 I531 E534 L535P245-Y247 HydrophobicContact CB-CD1 3.76Å; P245-Y247 HydrophobicContact CB-CE1 3.31Å; P245-Y247 HydrophobicContact CB-CE2 4.44Å; P245-Y247 HydrophobicContact CB-CG 4.47Å; P245-Y247 HydrophobicContact CG-CE1 4.03Å; P245-Y247 PolarHBondContact O-N 3.13Å; Y247-S251 WeakPolarHBondContact O-CB 3.28Å; Y247-S251 PolarHBondContact O-N 2.78Å; Y247-F262 HydrophobicContact CD2-CD1 4.33Å; Y247-F262 HydrophobicContact CD2-CE1 4.08Å; Y247-F262 HydrophobicContact CD2-CZ 4.38Å; Y247-D501 WeakPolarHBondContact CA-O 3.43Å; Y247-D501 WeakPolarHBondContact CB-O 3.4Å; Y247-D501 WeakPolarHBondContact CD1-OD1 3.31Å; Y247-D501 PolarHBondContact N-OD1 3.42Å; Y247-D501 VanDerWaalsContact N-OD1 3.13Å; Y247-V504 HydrophobicContact CD2-CG1 4.22Å; Y247-V504 HydrophobicContact CG-CG1 4.26Å; Y247-G505 WeakPolarHBondContact O-CA 3.46Å; Y247-I531 HydrophobicContact CD1-CD1 3.97Å; Y247-I531 HydrophobicContact CD1-CG1 3.82Å; Y247-I531 HydrophobicContact CD1-CG2 3.97Å; Y247-I531 HydrophobicContact CE1-CG1 4Å; Y247-I531 HydrophobicContact CE1-CG2 4.04Å; Y247-I531 HydrophobicContact CG-CG2 4.28Å; Y247-E534 VanDerWaalsContact CE1-OE2 3.23Å; Y247-E534 WeakPolarHBondContact CE1-OE2 3.21Å; Y247-E534 PolarHBondContact OH-OE2 3Å; Y247-L535 HydrophobicContact CE2-CD2 3.78Å; Y247-L535 HydrophobicContact CE2-CG 4.4Å
248K94.1Very high88.8Confident49 Ų4960 Ų6021%0.21331%0.312CS..Hα-helixtrans-69.8-42.1175.7-62.6-161.1-179-179.10110.9M244 P245 L246 S251 A252 F262M244-K248 HydrophobicContact SD-CB 4.32Å; P245-K248 HydrophobicContact CB-CG 4.48Å; P245-K248 PolarHBondContact O-N 2.98Å; P245-K248 VanDerWaalsContact O-N 3.08Å; L246-K248 VanDerWaalsContact C-N 3.26Å; L246-K248 PolarHBondContact O-N 3.02Å; K248-S251 WeakPolarHBondContact O-CB 3.43Å; K248-S251 PolarHBondContact O-N 3.49Å; K248-A252 PolarHBondContact O-N 3Å; K248-F262 HydrophobicContact CB-CZ 4.47Å; K248-F262 HydrophobicContact CG-CE2 4.36Å; K248-F262 HydrophobicContact CG-CZ 3.98Å
249Y94.7Very high87.9Confident10 Ų1062 Ų624%0.03932%0.324CS..Hα-helixtrans-61.2-47177-174.5-105.5000111.7C144 A235 A239 K242 M244 P245 L246 S251 A252 L253C144-Y249 WeakPolarHBondContact CA-OH 3.38Å; C144-Y249 PolarHBondContact O-OH 3.33Å; A235-Y249 HydrophobicContact CB-CE1 4.41Å; A235-Y249 VanDerWaalsContact O-CD1 3.31Å; A235-Y249 WeakPolarHBondContact O-CD1 3.38Å; A235-Y249 VanDerWaalsContact O-CE1 3.25Å; A235-Y249 WeakPolarHBondContact O-CE1 3.4Å; A239-Y249 HydrophobicContact CB-CD1 4Å; A239-Y249 HydrophobicContact CB-CD2 4.34Å; A239-Y249 HydrophobicContact CB-CG 3.71Å; K242-Y249 HydrophobicContact CG-CD2 4.34Å; K242-Y249 HydrophobicContact CG-CE2 4.09Å; M244-Y249 HydrophobicContact CG-CD2 4.45Å; M244-Y249 HydrophobicContact SD-CD2 4.03Å; M244-Y249 HydrophobicContact SD-CG 4.5Å; P245-Y249 PolarHBondContact O-N 3.39Å; P245-Y249 VanDerWaalsContact O-N 3.08Å; L246-Y249 HydrophobicContact CD1-CD1 4.47Å; L246-Y249 WeakPolarHBondContact O-CB 3.4Å; L246-Y249 PolarHBondContact O-N 3.44Å; Y249-S251 VanDerWaalsContact C-N 3.3Å; Y249-S251 PolarHBondContact O-N 2.86Å; Y249-A252 WeakPolarHBondContact O-CB 3.49Å; Y249-A252 PolarHBondContact O-N 3.05Å; Y249-L253 HydrophobicContact CD1-CD1 3.94Å; Y249-L253 HydrophobicContact CD1-CG 4.27Å; Y249-L253 HydrophobicContact CE1-CD1 3.56Å; Y249-L253 HydrophobicContact CE1-CD2 4.26Å; Y249-L253 HydrophobicContact CE1-CG 3.97Å; Y249-L253 WeakPolarHBondContact O-CG 3.38Å; Y249-L253 PolarHBondContact O-N 3.33Å
250I93.5Very high87.2Confident0 Ų067 Ų670%036%0.355CS..Hα-helixtrans-59.5-42174.8-62.9-59.6000111A235 L246 A252 L253 K254 V467 L502 L506A235-I250 HydrophobicContact CB-CD1 4.29Å; L246-I250 HydrophobicContact CD1-CD1 4.1Å; L246-I250 HydrophobicContact CD1-CG1 3.99Å; L246-I250 HydrophobicContact CG-CG1 4.14Å; L246-I250 WeakPolarHBondContact O-CG1 3.43Å; L246-I250 PolarHBondContact O-N 3.34Å; I250-A252 VanDerWaalsContact C-N 3.32Å; I250-A252 PolarHBondContact O-N 3.15Å; I250-L253 HydrophobicContact CD1-CD1 4.28Å; I250-L253 PolarHBondContact O-N 3.01Å; I250-K254 PolarHBondContact O-N 3.32Å; I250-V467 HydrophobicContact CD1-CG1 3.68Å; I250-L502 HydrophobicContact CD1-CD2 3.7Å; I250-L502 HydrophobicContact CG1-CD2 3.95Å; I250-L502 HydrophobicContact CG2-CD2 4.26Å; I250-L506 HydrophobicContact CG2-CD2 4.24Å; I250-L506 HydrophobicContact CG2-CG 4.06Å
251S92.6Very high86.9Confident3 Ų365.8 Ų65.82%0.02135%0.351CS..Hα-helixtrans-63.6-36.2174.4177.50000112.9Y247 K248 Y249 K254 N255 P259 G505Y247-S251 WeakPolarHBondContact O-CB 3.28Å; Y247-S251 PolarHBondContact O-N 2.78Å; K248-S251 WeakPolarHBondContact O-CB 3.43Å; K248-S251 PolarHBondContact O-N 3.49Å; Y249-S251 VanDerWaalsContact C-N 3.3Å; Y249-S251 PolarHBondContact O-N 2.86Å; S251-K254 PolarHBondContact O-N 3.37Å; S251-N255 WeakPolarHBondContact O-CB 3.23Å; S251-N255 PolarHBondContact O-N 3.26Å; S251-N255 PolarHBondContact O-ND2 3.21Å; S251-P259 WeakPolarHBondContact OG-CD 3.44Å; S251-P259 VanDerWaalsContact OG-CG 3.27Å; S251-P259 WeakPolarHBondContact OG-CG 3.31Å; S251-G505 VanDerWaalsContact CA-O 3.29Å; S251-G505 WeakPolarHBondContact CA-O 3.37Å; S251-G505 WeakPolarHBondContact CB-O 3.31Å
252A92.4Very high86.8Confident34 Ų3464.4 Ų64.428%0.28134%0.343SS..Hα-helixtrans-72-31.2176.600000112.4K248 Y249 I250 N255K248-A252 PolarHBondContact O-N 3Å; Y249-A252 WeakPolarHBondContact O-CB 3.49Å; Y249-A252 PolarHBondContact O-N 3.05Å; I250-A252 VanDerWaalsContact C-N 3.32Å; I250-A252 PolarHBondContact O-N 3.15Å; A252-N255 CarbonylContact C-O 3.58Å; A252-N255 WeakPolarHBondContact CA-O 3.33Å; A252-N255 CarbonylContact O-C 3.34Å
253L91.8Very high86.8Confident55 Ų5559.5 Ų59.529%0.28832%0.322SS..Hα-helixtrans-67.3-40.2170.1-67.8178.7000111.4Q146 Y249 I250 V467 I471Q146-L253 HydrophobicContact CB-CD1 3.72Å; Q146-L253 HydrophobicContact CB-CD2 3.76Å; Q146-L253 HydrophobicContact CB-CG 4.4Å; Q146-L253 HydrophobicContact CG-CD1 3.76Å; Y249-L253 HydrophobicContact CD1-CD1 3.94Å; Y249-L253 HydrophobicContact CD1-CG 4.27Å; Y249-L253 HydrophobicContact CE1-CD1 3.56Å; Y249-L253 HydrophobicContact CE1-CD2 4.26Å; Y249-L253 HydrophobicContact CE1-CG 3.97Å; Y249-L253 WeakPolarHBondContact O-CG 3.38Å; Y249-L253 PolarHBondContact O-N 3.33Å; I250-L253 HydrophobicContact CD1-CD1 4.28Å; I250-L253 PolarHBondContact O-N 3.01Å; L253-V467 HydrophobicContact CD1-CG1 4.41Å; L253-I471 HydrophobicContact CB-CD1 3.74Å; L253-I471 HydrophobicContact CD1-CD1 4.38Å
254K87.1Confident86.8Confident48 Ų4857.1 Ų57.121%0.20929%0.293CS..Hα-helixtrans-69.8-46.6176.7-178.4-176.2179.7-173.40112.2I250 S251 I471 L506I250-K254 PolarHBondContact O-N 3.32Å; S251-K254 PolarHBondContact O-N 3.37Å; K254-I471 HydrophobicContact CB-CG2 4.18Å; K254-I471 HydrophobicContact CG-CG2 4.25Å; K254-L506 PolarHBondContact NZ-O 3.28Å
255N77.8Confident86.7Confident65 Ų6554.2 Ų54.235%0.34828%0.279SS..  trans-117.5123.4-172.6-57.8-51.8000109S251 A252 K257S251-N255 WeakPolarHBondContact O-CB 3.23Å; S251-N255 PolarHBondContact O-N 3.26Å; S251-N255 PolarHBondContact O-ND2 3.21Å; A252-N255 CarbonylContact C-O 3.58Å; A252-N255 WeakPolarHBondContact CA-O 3.33Å; A252-N255 CarbonylContact O-C 3.34Å; N255-K257 WeakPolarHBondContact CB-O 3.39Å; N255-K257 PolarHBondContact O-N 2.99Å
256Q66.5Low86.6Confident207 Ų20753 Ų5397%0.96727%0.271SS*.SBendtrans-62.5-3.4175.1-65.5-177.3-0.400114.1
257K69.1Low86.5Confident177 Ų17752.3 Ų52.377%0.7727%0.267SS*.SBendtrans-127.1140.6177.6-66.1-176.3179.9-179.90109.5N255N255-K257 WeakPolarHBondContact CB-O 3.39Å; N255-K257 PolarHBondContact O-N 2.99Å
258D70Confident86.5Confident129 Ų12952.3 Ų52.369%0.6927%0.267SS*.  trans-60.8124.6172.5-70.2-32.5000109.8
259P75.9Confident86.5Confident40 Ų4050 Ų5026%0.2626%0.257SS..  trans-67.6141.4176.931.7-38.2000109.9S251 H261 F262S251-P259 WeakPolarHBondContact OG-CD 3.44Å; S251-P259 VanDerWaalsContact OG-CG 3.27Å; S251-P259 WeakPolarHBondContact OG-CG 3.31Å; P259-H261 VanDerWaalsContact C-N 3.29Å; P259-F262 HydrophobicContact CG-CD1 4.46Å; P259-F262 HydrophobicContact CG-CD2 4.31Å; P259-F262 HydrophobicContact CG-CE1 3.78Å; P259-F262 HydrophobicContact CG-CE2 3.59Å; P259-F262 HydrophobicContact CG-CZ 3.28Å
260T80.3Confident86.5Confident110 Ų11049.5 Ų49.568%0.67526%0.255SS*.SBendtrans-72.4-26176.851.90000112.3L540T260-L540 WeakPolarHBondContact O-CD2 3.24Å
261H87.6Confident86.5Confident95 Ų9549.5 Ų49.544%0.4426%0.255SS..  trans-143.2154.1179.4-60.6-64.3000111.5P259 L540 E542P259-H261 VanDerWaalsContact C-N 3.29Å; H261-L540 CarbonylContact C-O 3.49Å; H261-L540 WeakPolarHBondContact CA-O 3.32Å; H261-E542 HydrophobicContact CB-CB 4.02Å
262F91.6Very high86.5Confident14 Ų1449.4 Ų49.46%0.06125%0.254CS..BIsolated β-bridgetrans-122150172.1-69.5-96.1000109Y247 K248 P259 V504 L535 L540 L541 E542Y247-F262 HydrophobicContact CD2-CD1 4.33Å; Y247-F262 HydrophobicContact CD2-CE1 4.08Å; Y247-F262 HydrophobicContact CD2-CZ 4.38Å; K248-F262 HydrophobicContact CB-CZ 4.47Å; K248-F262 HydrophobicContact CG-CE2 4.36Å; K248-F262 HydrophobicContact CG-CZ 3.98Å; P259-F262 HydrophobicContact CG-CD1 4.46Å; P259-F262 HydrophobicContact CG-CD2 4.31Å; P259-F262 HydrophobicContact CG-CE1 3.78Å; P259-F262 HydrophobicContact CG-CE2 3.59Å; P259-F262 HydrophobicContact CG-CZ 3.28Å; F262-V504 HydrophobicContact CD1-CG1 4.13Å; F262-L535 HydrophobicContact CB-CD1 3.59Å; F262-L535 HydrophobicContact CB-CD2 3.76Å; F262-L535 HydrophobicContact CB-CG 4.31Å; F262-L535 HydrophobicContact CD2-CD2 3.69Å; F262-L535 HydrophobicContact CG-CD1 4.38Å; F262-L535 HydrophobicContact CG-CD2 3.87Å; F262-L540 HydrophobicContact CD2-CB 4.5Å; F262-L540 PolarHBondContact N-O 3.33Å; F262-L541 CarbonylContact O-C 3.32Å; F262-L541 WeakPolarHBondContact O-CA 3.13Å; F262-E542 PolarHBondContact O-N 3.5Å
263H89.7Confident86.5Confident21 Ų2148.7 Ų48.710%0.09725%0.248CC..  trans-118153.316665.8-76.8000108.9G507 L508 E542 K544H263-G507 VanDerWaalsContact CE1-CA 3.49Å; H263-G507 WeakPolarHBondContact CE1-CA 3.33Å; H263-G507 PolarHBondContact CE1-O 3.15Å; H263-G507 VanDerWaalsContact CE1-O 3.29Å; H263-G507 PolarHBondContact NE2-O 3.09Å; H263-L508 PolarHBondContact NE2-O 2.84Å; H263-E542 WeakPolarHBondContact CB-O 3.23Å; H263-K544 HydrophobicContact CB-CD 4.45Å; H263-K544 HydrophobicContact CB-CG 4.24Å; H263-K544 PolarHBondContact CD2-NZ 3.02Å; H263-K544 PolarHBondContact CE1-NZ 3.44Å; H263-K544 WeakPolarHBondContact NE2-CE 3.41Å; H263-K544 PolarHBondContact NE2-NZ 3.41Å
264V92.6Very high86.3Confident22 Ų2246.1 Ų46.113%0.13323%0.234CC..PPolyproline II helixtrans-96130.5175.8179.30000108.4V298 L528 E532 L535 L541V264-V298 HydrophobicContact CG1-CG2 3.54Å; V264-L528 HydrophobicContact CG1-CD1 3.76Å; V264-L528 HydrophobicContact CG1-CD2 4.15Å; V264-L528 HydrophobicContact CG1-CG 3.68Å; V264-E532 HydrophobicContact CG2-CB 3.92Å; V264-E532 HydrophobicContact CG2-CG 4.22Å; V264-L535 HydrophobicContact CG2-CD1 4.09Å; V264-L541 HydrophobicContact CG2-CD1 3.76Å
265P91.1Very high86.3Confident1 Ų144 Ų441%0.00623%0.225CC..PPolyproline II helixtrans-63.5146.6179.224.2-34.5000111.8P267 A503 V504 L508 D509 V511 L528P265-P267 WeakPolarHBondContact O-CD 3.36Å; P265-A503 HydrophobicContact CG-CB 4.09Å; P265-V504 HydrophobicContact CG-CG2 4.49Å; P265-L508 WeakPolarHBondContact CB-O 3.36Å; P265-D509 WeakPolarHBondContact CA-O 3.41Å; P265-V511 HydrophobicContact CB-CB 4.38Å; P265-V511 HydrophobicContact CB-CG1 3.81Å; P265-V511 HydrophobicContact CB-CG2 3.97Å; P265-V511 HydrophobicContact CG-CB 4.4Å; P265-V511 HydrophobicContact CG-CG1 3.67Å; P265-V511 HydrophobicContact CG-CG2 3.85Å; P265-L528 HydrophobicContact CG-CD1 3.96Å
266V91.5Very high86.7Confident17 Ų1746.5 Ų46.510%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-72.9122.9173.9177.70000109.1I291 D509 Y510 V511 L549V266-I291 HydrophobicContact CG1-CG2 4.14Å; V266-D509 PolarHBondContact N-O 3.32Å; V266-Y510 HydrophobicContact CB-CD1 3.92Å; V266-Y510 HydrophobicContact CB-CE1 4.22Å; V266-Y510 WeakPolarHBondContact O-CA 3.25Å; V266-V511 PolarHBondContact O-N 2.85Å; V266-L549 HydrophobicContact CG2-CD1 4.06Å
267P92.8Very high87.5Confident2 Ų244 Ų441%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-74.7130.617930.4-34.9000111.6P265 I269 V298 V511 Y525P265-P267 WeakPolarHBondContact O-CD 3.36Å; P267-I269 HydrophobicContact CB-CG1 4.36Å; P267-V298 HydrophobicContact CG-CG1 4.35Å; P267-V511 CarbonylContact C-O 3.55Å; P267-V511 WeakPolarHBondContact CA-O 3.42Å; P267-V511 HydrophobicContact CB-CG2 4.49Å; P267-Y525 HydrophobicContact CB-CE1 3.95Å
268W93.4Very high88.3Confident0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-94.6113.4168.9-76.335.9000107.9I289 L290 I291 A367 A412 I414 L439 V485 Y510 V511 K512 L513 L551W268-I289 HydrophobicContact CB-CG2 3.65Å; W268-I289 HydrophobicContact CD2-CG2 4.42Å; W268-I289 HydrophobicContact CE3-CG2 4.09Å; W268-I289 HydrophobicContact CG-CG2 4.29Å; W268-L290 WeakPolarHBondContact CA-O 3.4Å; W268-I291 HydrophobicContact CD2-CD1 3.8Å; W268-I291 HydrophobicContact CD2-CG1 3.81Å; W268-I291 HydrophobicContact CE3-CD1 4.23Å; W268-I291 HydrophobicContact CE3-CG1 4.46Å; W268-I291 HydrophobicContact CG-CD1 4.39Å; W268-I291 HydrophobicContact CG-CG1 3.89Å; W268-I291 HydrophobicContact CH2-CD1 3.96Å; W268-I291 HydrophobicContact CZ2-CD1 3.51Å; W268-I291 HydrophobicContact CZ2-CG1 4.38Å; W268-I291 HydrophobicContact CZ3-CD1 4.28Å; W268-A367 HydrophobicContact CE3-CB 3.98Å; W268-A367 HydrophobicContact CH2-CB 4.18Å; W268-A367 HydrophobicContact CZ3-CB 3.6Å; W268-A412 HydrophobicContact CH2-CB 3.87Å; W268-A412 HydrophobicContact CZ3-CB 4.44Å; W268-I414 HydrophobicContact CZ3-CD1 4.07Å; W268-L439 HydrophobicContact CH2-CD2 3.72Å; W268-L439 HydrophobicContact CZ3-CD2 4.26Å; W268-V485 HydrophobicContact CD2-CG1 4.46Å; W268-V485 HydrophobicContact CH2-CG2 4.11Å; W268-V485 HydrophobicContact CZ2-CG2 4.04Å; W268-Y510 AromaticContact CD1-CD1 3.93Å; W268-Y510 HydrophobicContact CZ2-CD1 4.45Å; W268-Y510 HydrophobicContact CZ2-CG 4.36Å; W268-Y510 AromaticContact NE1-CD1 3.13Å; W268-Y510 AromaticContact NE1-CE1 3.86Å; W268-Y510 AromaticContact NE1-CG 3.57Å; W268-V511 WeakPolarHBondContact CB-O 3.49Å; W268-V511 PolarHBondContact N-O 3.18Å; W268-K512 HydrophobicContact CB-CB 3.94Å; W268-K512 HydrophobicContact CB-CG 4.2Å; W268-L513 PolarHBondContact O-N 2.94Å; W268-L551 HydrophobicContact CH2-CD2 3.9Å; W268-L551 HydrophobicContact CZ2-CD2 3.63Å
269I94.9Very high89Confident0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-108.1116-170-50.8-178.3000109P267 L271 I289 L290 V302 A305 L516 Y525P267-I269 HydrophobicContact CB-CG1 4.36Å; I269-L271 PolarHBondContact O-N 3.21Å; I269-I289 CarbonylContact O-C 3.12Å; I269-I289 WeakPolarHBondContact O-CA 3.27Å; I269-L290 HydrophobicContact CB-CB 4.45Å; I269-L290 HydrophobicContact CD1-CD2 4.46Å; I269-L290 PolarHBondContact N-O 2.93Å; I269-L290 PolarHBondContact O-N 3.14Å; I269-V302 HydrophobicContact CD1-CG2 4.4Å; I269-A305 HydrophobicContact CB-CB 4.35Å; I269-A305 HydrophobicContact CD1-CB 3.63Å; I269-A305 HydrophobicContact CG2-CB 4.02Å; I269-L516 HydrophobicContact CD1-CD2 4.43Å; I269-L516 HydrophobicContact CG2-CD1 4.13Å; I269-L516 HydrophobicContact CG2-CD2 3.75Å; I269-L516 HydrophobicContact CG2-CG 3.68Å; I269-Y525 HydrophobicContact CD1-CE1 4.2Å; I269-Y525 HydrophobicContact CG1-CE1 4.02Å; I269-Y525 WeakPolarHBondContact CG1-OH 3.46Å
270T94.2Very high89.5Confident0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-72111.6179.1-56.90000110E287 V334 G514 G515T270-E287 HydrophobicContact CG2-CB 4.07Å; T270-E287 HydrophobicContact CG2-CG 4.28Å; T270-V334 HydrophobicContact CG2-CG1 3.79Å; T270-V334 HydrophobicContact CG2-CG2 3.91Å; T270-G514 PolarHBondContact N-O 3.33Å; T270-G515 WeakPolarHBondContact O-CA 3.13Å
271L94.3Very high90.1Very high0 Ų032.7 Ų32.70%017%0.168CC..EExtended strand (participates in β ladder)trans-83.2-43.6-179.5-64.1179.8000111.9I269 I288 L290 A305 L308 Q309 M312 L335 I349I269-L271 PolarHBondContact O-N 3.21Å; L271-I288 PolarHBondContact N-O 2.97Å; L271-L290 HydrophobicContact CD1-CB 3.82Å; L271-L290 HydrophobicContact CD1-CD1 4.08Å; L271-L290 HydrophobicContact CD2-CB 4.05Å; L271-L290 HydrophobicContact CD2-CD1 4.25Å; L271-L290 HydrophobicContact CG-CB 3.76Å; L271-A305 HydrophobicContact CD2-CB 4.24Å; L271-L308 HydrophobicContact CD1-CD2 3.6Å; L271-L308 HydrophobicContact CD2-CD2 4.45Å; L271-Q309 HydrophobicContact CD2-CG 3.94Å; L271-M312 HydrophobicContact CB-CE 4.35Å; L271-M312 HydrophobicContact CB-SD 4.38Å; L271-M312 HydrophobicContact CD1-SD 4.22Å; L271-L335 PolarHBondContact O-N 3.44Å; L271-I349 HydrophobicContact CD1-CD1 4.16Å; L271-I349 HydrophobicContact CD1-CG1 4.39Å
272L92.9Very high90.3Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-140.5135.7-167.9-163.174.2000110.1E287 I288 M312 I324 L335 A337 P345L272-E287 WeakPolarHBondContact O-CA 3.34Å; L272-I288 HydrophobicContact CB-CB 4.4Å; L272-I288 PolarHBondContact N-O 3.32Å; L272-I288 PolarHBondContact O-N 3.34Å; L272-M312 HydrophobicContact CB-CE 4.32Å; L272-M312 HydrophobicContact CD1-CE 4.21Å; L272-I324 HydrophobicContact CD2-CD1 4.28Å; L272-L335 CarbonylContact C-O 3.59Å; L272-L335 WeakPolarHBondContact CA-O 3.38Å; L272-L335 HydrophobicContact CD1-CB 3.73Å; L272-L335 WeakPolarHBondContact CD1-O 3.47Å; L272-A337 HydrophobicContact CD1-CB 3.57Å; L272-A337 HydrophobicContact CD2-CB 4.17Å; L272-A337 HydrophobicContact CG-CB 4.16Å; L272-P345 HydrophobicContact CD2-CB 3.38Å
273S91.8Very high90.4Very high20 Ų2028.1 Ų28.114%0.1415%0.148CC..EExtended strand (participates in β ladder)trans-103.8134.9162.7-171.90000109.5S278 E286 L335 A337S273-S278 PolarHBondContact O-OG 2.88Å; S273-E286 WeakPolarHBondContact CA-O 3.45Å; S273-E286 PolarHBondContact OG-O 2.94Å; S273-E286 VanDerWaalsContact OG-O 3.11Å; S273-L335 PolarHBondContact N-O 3.04Å; S273-A337 PolarHBondContact O-N 2.95Å
274C88.3Confident90.5Very high1 Ų127.1 Ų27.11%0.00714%0.144CC..  trans-142.9-159.1179.336.10000109.3S278 L282 L285 E286C274-S278 VanDerWaalsContact CA-OG 3.24Å; C274-S278 WeakPolarHBondContact CA-OG 3.34Å; C274-S278 PolarHBondContact N-OG 2.87Å; C274-S278 PolarHBondContact O-OG 3.39Å; C274-L282 HydrophobicContact CB-CD2 4.34Å; C274-L285 CarbonylContact C-O 3.55Å; C274-L285 PolarHBondContact SG-O 3.37Å; C274-E286 PolarHBondContact N-O 3.45Å
275G87.1Confident90.5Very high2 Ų226.1 Ų26.12%0.02114%0.137CC..G310 helixtrans74.7-162.1177.600000114K277 S278 L282 C283 L285G275-K277 VanDerWaalsContact C-N 3.25Å; G275-K277 PolarHBondContact O-N 2.96Å; G275-S278 WeakPolarHBondContact O-CA 3.47Å; G275-S278 WeakPolarHBondContact O-CB 3.4Å; G275-S278 PolarHBondContact O-N 3.48Å; G275-L282 CarbonylContact C-O 3.46Å; G275-L282 WeakPolarHBondContact CA-O 3.42Å; G275-C283 VanDerWaalsContact CA-O 3.26Å; G275-C283 WeakPolarHBondContact CA-O 3.23Å; G275-L285 PolarHBondContact N-O 2.83Å; G275-L285 VanDerWaalsContact N-O 3.16Å
276K86.1Confident90.5Very high118 Ų11827.3 Ų27.351%0.51314%0.143SC..G310 helixtrans-58.7-25.5-165.4-173167-178.4164.60116.2C283 L375 E384K276-C283 HydrophobicContact CB-CB 4.34Å; K276-C283 PolarHBondContact N-O 2.9Å; K276-L375 HydrophobicContact CB-CD2 3.94Å; K276-L375 HydrophobicContact CD-CD2 3.81Å; K276-E384 IonicContact NZ-OE2 3.76Å
277K82.7Confident90.6Very high154 Ų15427.1 Ų27.167%0.6714%0.141SC*.G310 helixtrans-86.1-12.9177.2-68.8178.1-180165.70113.2G275 E286G275-K277 VanDerWaalsContact C-N 3.25Å; G275-K277 PolarHBondContact O-N 2.96Å; K277-E286 WeakPolarHBondContact CE-OE1 3.43Å; K277-E286 IonicContact NZ-OE1 2.8Å; K277-E286 PolarHBondContact NZ-OE1 3.02Å
278S85.1Confident90.7Very high13 Ų1327 Ų279%0.09114%0.14CC..SBendtrans-97155179.5-60.80000110.1S273 C274 G275 T336S273-S278 PolarHBondContact O-OG 2.88Å; C274-S278 VanDerWaalsContact CA-OG 3.24Å; C274-S278 WeakPolarHBondContact CA-OG 3.34Å; C274-S278 PolarHBondContact N-OG 2.87Å; C274-S278 PolarHBondContact O-OG 3.39Å; G275-S278 WeakPolarHBondContact O-CA 3.47Å; G275-S278 WeakPolarHBondContact O-CB 3.4Å; G275-S278 PolarHBondContact O-N 3.48Å; S278-T336 WeakPolarHBondContact OG-CG2 3.48Å
279P84.9Confident90.8Very high61 Ų6127 Ų2740%0.39614%0.14SC..SBendtrans-64.1162.7173.327.5-34.1000111.7S327 S338P279-S327 VanDerWaalsContact CG-CB 3.49Å; P279-S327 WeakPolarHBondContact CG-OG 3.45Å; P279-S338 VanDerWaalsContact O-CA 3.27Å; P279-S338 WeakPolarHBondContact O-CA 3.47Å
280G87.7Confident90.9Very high35 Ų3527 Ų2736%0.36114%0.14SC..BIsolated β-bridgetrans100.9-172-176.700000112.7S338G280-S338 WeakPolarHBondContact CA-OG 3.41Å; G280-S338 PolarHBondContact N-OG 2.8Å
281K91.3Very high90.8Very high111 Ų11127 Ų2748%0.48314%0.14SC..SBendtrans-95.8-16.9-178.7-63.7-166.6-162.2104.80114.5C283 C339 E340 A386 T387K281-C283 PolarHBondContact O-N 2.77Å; K281-C339 PolarHBondContact N-O 2.94Å; K281-E340 WeakPolarHBondContact CD-OE2 3.46Å; K281-E340 WeakPolarHBondContact CE-OE2 3.31Å; K281-E340 WeakPolarHBondContact CG-OE2 3.42Å; K281-E340 PolarHBondContact N-OE1 2.97Å; K281-E340 IonicContact NZ-OE2 2.72Å; K281-E340 PolarHBondContact NZ-OE2 3.46Å; K281-A386 CarbonylContact O-C 3.18Å; K281-A386 WeakPolarHBondContact O-CA 3.21Å; K281-A386 VanDerWaalsContact O-CB 3.29Å; K281-A386 WeakPolarHBondContact O-CB 3.27Å; K281-T387 PolarHBondContact O-N 3.18Å; K281-T387 PolarHBondContact O-OG1 3.04Å
282L92.9Very high90.6Very high3 Ų327 Ų272%0.01614%0.14CC..BIsolated β-bridgetrans-68.5124.2-178.5178.463.4000109.8C274 G275 L284 C339 P342C274-L282 HydrophobicContact CB-CD2 4.34Å; G275-L282 CarbonylContact C-O 3.46Å; G275-L282 WeakPolarHBondContact CA-O 3.42Å; L282-L284 HydrophobicContact CD1-CB 4.3Å; L282-L284 WeakPolarHBondContact CD1-O 3.37Å; L282-L284 WeakPolarHBondContact CG-O 3.07Å; L282-C339 HydrophobicContact CB-CB 3.81Å; L282-C339 VanDerWaalsContact CB-O 3.24Å; L282-C339 WeakPolarHBondContact CB-O 3.45Å; L282-C339 HydrophobicContact CD2-CB 3.58Å; L282-C339 HydrophobicContact CG-CB 4.34Å; L282-C339 PolarHBondContact N-O 3.3Å; L282-P342 HydrophobicContact CD1-CB 4.19Å
283C93Very high90.3Very high9 Ų929.6 Ų29.66%0.06115%0.152CC..  trans-104.4-35.7176.5-63.90000112.2G275 K276 K281 L375 E384 V385G275-C283 VanDerWaalsContact CA-O 3.26Å; G275-C283 WeakPolarHBondContact CA-O 3.23Å; K276-C283 HydrophobicContact CB-CB 4.34Å; K276-C283 PolarHBondContact N-O 2.9Å; K281-C283 PolarHBondContact O-N 2.77Å; C283-L375 HydrophobicContact CB-CD2 4.23Å; C283-E384 HydrophobicContact CB-CG 4.36Å; C283-E384 WeakPolarHBondContact CB-O 3.24Å; C283-V385 PolarHBondContact N-O 3.29Å
284L91.9Very high89.8Confident1 Ų129.3 Ų29.31%0.00515%0.149CC..SBendtrans-70.5157.3173.6-171.965.5000111.7L282 C370 L375 V385 L396 V399 Y400L282-L284 HydrophobicContact CD1-CB 4.3Å; L282-L284 WeakPolarHBondContact CD1-O 3.37Å; L282-L284 WeakPolarHBondContact CG-O 3.07Å; L284-C370 HydrophobicContact CD1-CB 3.9Å; L284-L375 HydrophobicContact CB-CD1 4.36Å; L284-L375 HydrophobicContact CD1-CD1 4Å; L284-V385 HydrophobicContact CB-CB 4.48Å; L284-V385 HydrophobicContact CB-CG1 3.93Å; L284-V385 HydrophobicContact CD2-CG1 3.89Å; L284-V385 PolarHBondContact N-O 2.83Å; L284-L396 HydrophobicContact CD2-CD1 4.19Å; L284-V399 HydrophobicContact CD2-CG1 4.21Å; L284-Y400 HydrophobicContact CD1-CE1 4.13Å; L284-Y400 WeakPolarHBondContact CD1-OH 3.28Å; L284-Y400 HydrophobicContact CD2-CE1 3.92Å; L284-Y400 HydrophobicContact CG-CE1 4.48Å
285L91.7Very high89.3Confident0 Ų030.9 Ų30.90%017%0.165CC..  trans68.581.1179.8-46.6179.2000112C274 G275 E287 P342 L368 N369 L403C274-L285 CarbonylContact C-O 3.55Å; C274-L285 PolarHBondContact SG-O 3.37Å; G275-L285 PolarHBondContact N-O 2.83Å; G275-L285 VanDerWaalsContact N-O 3.16Å; L285-E287 VanDerWaalsContact C-N 3.33Å; L285-P342 HydrophobicContact CD1-CB 3.71Å; L285-P342 HydrophobicContact CG-CB 4.48Å; L285-L368 HydrophobicContact CD2-CB 4.07Å; L285-L368 HydrophobicContact CD2-CD1 4.01Å; L285-L368 HydrophobicContact CD2-CG 4.45Å; L285-N369 CarbonylContact C-O 3.56Å; L285-N369 WeakPolarHBondContact CA-O 3.42Å; L285-L403 HydrophobicContact CD1-CD2 4.29Å; L285-L403 HydrophobicContact CD2-CD2 4.47Å
286E91.3Very high89.3Confident27 Ų2732.3 Ų32.313%0.12617%0.171CC..SBendtrans-66.7-36174.7-170.4168-161.300111.2S273 C274 K277 N369 A371 K374S273-E286 WeakPolarHBondContact CA-O 3.45Å; S273-E286 PolarHBondContact OG-O 2.94Å; S273-E286 VanDerWaalsContact OG-O 3.11Å; C274-E286 PolarHBondContact N-O 3.45Å; K277-E286 WeakPolarHBondContact CE-OE1 3.43Å; K277-E286 IonicContact NZ-OE1 2.8Å; K277-E286 PolarHBondContact NZ-OE1 3.02Å; E286-N369 PolarHBondContact N-O 2.74Å; E286-A371 HydrophobicContact CB-CB 3.97Å; E286-A371 WeakPolarHBondContact OE2-CB 3.48Å; E286-K374 IonicContact OE1-NZ 3.82Å; E286-K374 PolarHBondContact OE1-NZ 2.98Å; E286-K374 VanDerWaalsContact OE1-NZ 3.13Å; E286-K374 IonicContact OE2-NZ 3.56Å; E286-K374 PolarHBondContact OE2-NZ 3.31Å
287E93.5Very high89.6Confident12 Ų1228.9 Ų28.96%0.05616%0.161CC..EExtended strand (participates in β ladder)trans-142.8144.9-178.2-51.9169.6138.300112.4T270 L272 L285 I289 N369 L490 K512T270-E287 HydrophobicContact CG2-CB 4.07Å; T270-E287 HydrophobicContact CG2-CG 4.28Å; L272-E287 WeakPolarHBondContact O-CA 3.34Å; L285-E287 VanDerWaalsContact C-N 3.33Å; E287-I289 HydrophobicContact CB-CD1 4.37Å; E287-I289 HydrophobicContact CB-CG1 4.14Å; E287-N369 HydrophobicContact CB-CB 3.87Å; E287-N369 HydrophobicContact CG-CB 4.27Å; E287-N369 PolarHBondContact N-O 2.95Å; E287-N369 PolarHBondContact O-N 2.82Å; E287-N369 WeakPolarHBondContact OE2-CB 3.33Å; E287-N369 PolarHBondContact OE2-ND2 3.05Å; E287-L490 HydrophobicContact CG-CD1 4.43Å; E287-L490 WeakPolarHBondContact OE1-CD1 3.43Å; E287-K512 IonicContact OE1-NZ 3.44Å; E287-K512 WeakPolarHBondContact OE2-CE 3.43Å; E287-K512 IonicContact OE2-NZ 2.87Å; E287-K512 PolarHBondContact OE2-NZ 3.09Å
288I95.9Very high90.1Very high0 Ų021.7 Ų21.70%013%0.13CC..EExtended strand (participates in β ladder)trans-114.7125.2163.4-50.4-167.3000109.4L271 L272 P345 L346 I349 L366 L368L271-I288 PolarHBondContact N-O 2.97Å; L272-I288 HydrophobicContact CB-CB 4.4Å; L272-I288 PolarHBondContact N-O 3.32Å; L272-I288 PolarHBondContact O-N 3.34Å; I288-P345 HydrophobicContact CD1-CB 3.47Å; I288-P345 VanDerWaalsContact CD1-CB 3.47Å; I288-P345 HydrophobicContact CD1-CG 3.64Å; I288-L346 HydrophobicContact CD1-CD2 3.87Å; I288-L346 HydrophobicContact CD1-CG 4.32Å; I288-L346 HydrophobicContact CG2-CD2 4.33Å; I288-I349 HydrophobicContact CB-CD1 4.19Å; I288-I349 HydrophobicContact CD1-CD1 4.3Å; I288-I349 HydrophobicContact CG2-CD1 3.48Å; I288-I349 VanDerWaalsContact CG2-CD1 3.48Å; I288-L366 HydrophobicContact CG2-CD2 4.4Å; I288-L368 HydrophobicContact CD1-CD2 4.41Å; I288-L368 HydrophobicContact CG1-CD2 4.19Å; I288-L368 HydrophobicContact CG2-CD2 4.14Å
289I95.8Very high90.6Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-120.6130.7-165.9-57.3160000108.7W268 I269 E287 L366 A367 N369 I414 K512W268-I289 HydrophobicContact CB-CG2 3.65Å; W268-I289 HydrophobicContact CD2-CG2 4.42Å; W268-I289 HydrophobicContact CE3-CG2 4.09Å; W268-I289 HydrophobicContact CG-CG2 4.29Å; I269-I289 CarbonylContact O-C 3.12Å; I269-I289 WeakPolarHBondContact O-CA 3.27Å; E287-I289 HydrophobicContact CB-CD1 4.37Å; E287-I289 HydrophobicContact CB-CG1 4.14Å; I289-L366 CarbonylContact O-C 3.55Å; I289-L366 VanDerWaalsContact O-CA 3.32Å; I289-L366 WeakPolarHBondContact O-CA 3.39Å; I289-A367 HydrophobicContact CB-CB 4.18Å; I289-A367 PolarHBondContact N-O 2.68Å; I289-A367 PolarHBondContact O-N 3.32Å; I289-N369 HydrophobicContact CD1-CB 4.4Å; I289-I414 HydrophobicContact CD1-CD1 4Å; I289-K512 HydrophobicContact CD1-CD 3.96Å
290L95.8Very high91Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-85.3133.9174.1-179.7145.8000110.4W268 I269 L271 S292 A305 L308 V364W268-L290 WeakPolarHBondContact CA-O 3.4Å; I269-L290 HydrophobicContact CB-CB 4.45Å; I269-L290 HydrophobicContact CD1-CD2 4.46Å; I269-L290 PolarHBondContact N-O 2.93Å; I269-L290 PolarHBondContact O-N 3.14Å; L271-L290 HydrophobicContact CD1-CB 3.82Å; L271-L290 HydrophobicContact CD1-CD1 4.08Å; L271-L290 HydrophobicContact CD2-CB 4.05Å; L271-L290 HydrophobicContact CD2-CD1 4.25Å; L271-L290 HydrophobicContact CG-CB 3.76Å; L290-S292 WeakPolarHBondContact CD2-OG 3.19Å; L290-A305 HydrophobicContact CD1-CB 4.23Å; L290-A305 HydrophobicContact CD2-CB 4.31Å; L290-L308 HydrophobicContact CD1-CD2 3.62Å; L290-V364 HydrophobicContact CD1-CG1 3.66Å; L290-V364 HydrophobicContact CD1-CG2 4.41Å; L290-V364 HydrophobicContact CG-CG1 3.8Å
291I93.4Very high91.4Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-118.7119.9170.3-54.3174.1000107V266 W268 F365 A367 V411V266-I291 HydrophobicContact CG1-CG2 4.14Å; W268-I291 HydrophobicContact CD2-CD1 3.8Å; W268-I291 HydrophobicContact CD2-CG1 3.81Å; W268-I291 HydrophobicContact CE3-CD1 4.23Å; W268-I291 HydrophobicContact CE3-CG1 4.46Å; W268-I291 HydrophobicContact CG-CD1 4.39Å; W268-I291 HydrophobicContact CG-CG1 3.89Å; W268-I291 HydrophobicContact CH2-CD1 3.96Å; W268-I291 HydrophobicContact CZ2-CD1 3.51Å; W268-I291 HydrophobicContact CZ2-CG1 4.38Å; W268-I291 HydrophobicContact CZ3-CD1 4.28Å; I291-F365 HydrophobicContact CB-CB 4.28Å; I291-F365 PolarHBondContact N-O 2.97Å; I291-F365 PolarHBondContact O-N 2.85Å; I291-A367 HydrophobicContact CD1-CB 3.84Å; I291-A367 HydrophobicContact CG1-CB 4.45Å; I291-V411 HydrophobicContact CD1-CG2 3.95Å
292S89.4Confident91.5Very high0 Ų022.7 Ų22.70%012%0.12CC..EExtended strand (participates in β ladder)trans-76.9153.9174.4-68.30000110.9L290 V294 S301L290-S292 WeakPolarHBondContact CD2-OG 3.19Å; S292-V294 PolarHBondContact O-N 2.98Å; S292-S301 WeakPolarHBondContact CB-OG 3.2Å; S292-S301 WeakPolarHBondContact OG-CA 3.41Å; S292-S301 VanDerWaalsContact OG-CB 3.23Å; S292-S301 WeakPolarHBondContact OG-CB 3.49Å; S292-S301 PolarHBondContact OG-OG 3.45Å
293K86Confident91.7Very high55 Ų5525.8 Ų25.824%0.23914%0.139CC..PPolyproline II helixtrans-51.2140.1172.9-170.4-176.2-173.1-179.30111.2G295 H296 V362 H363 E546K293-G295 PolarHBondContact O-N 2.9Å; K293-H296 WeakPolarHBondContact O-CB 3.44Å; K293-H296 PolarHBondContact O-N 2.88Å; K293-V362 WeakPolarHBondContact CD-O 3.48Å; K293-H363 PolarHBondContact N-O 2.79Å; K293-E546 WeakPolarHBondContact CE-OE1 3.4Å; K293-E546 WeakPolarHBondContact CG-OE1 3.21Å; K293-E546 IonicContact NZ-OE1 3.13Å
294V81.3Confident91.8Very high13 Ų1326.4 Ų26.48%0.07914%0.141CC..THydrogen-bonded Turntrans-59.6137.4176.5-167.10000109.9S292 H296 K544 E546 L549 I552S292-V294 PolarHBondContact O-N 2.98Å; V294-H296 VanDerWaalsContact C-N 3.29Å; V294-H296 PolarHBondContact O-N 2.83Å; V294-K544 VanDerWaalsContact CG1-O 3.29Å; V294-K544 WeakPolarHBondContact CG1-O 3.34Å; V294-E546 HydrophobicContact CB-CG 4Å; V294-E546 HydrophobicContact CG2-CG 4.26Å; V294-L549 HydrophobicContact CB-CD1 4.05Å; V294-L549 HydrophobicContact CG1-CD1 3.38Å; V294-L549 HydrophobicContact CG1-CG 3.78Å; V294-L549 HydrophobicContact CG2-CB 4.32Å; V294-L549 HydrophobicContact CG2-CD1 3.51Å; V294-L549 HydrophobicContact CG2-CG 4.18Å; V294-I552 HydrophobicContact CG2-CD1 3.94Å
295G79Confident91.9Very high34 Ų3426.4 Ų26.435%0.35114%0.141SC..THydrogen-bonded Turntrans84.3-2.4-178.500000114.5K293K293-G295 PolarHBondContact O-N 2.9Å
296H86.3Confident92.1Very high33 Ų3328.3 Ų28.315%0.15315%0.154CC..  trans-71.1133.4165.1-78.6-165000109.9K293 V294 H363K293-H296 WeakPolarHBondContact O-CB 3.44Å; K293-H296 PolarHBondContact O-N 2.88Å; V294-H296 VanDerWaalsContact C-N 3.29Å; V294-H296 PolarHBondContact O-N 2.83Å; H296-H363 AromaticContact CE1-ND1 3.6Å; H296-H363 AromaticContact NE2-ND1 3.51Å
297P92.1Very high92.4Very high45 Ų4531.6 Ų31.629%0.29217%0.17SC..  trans-54.5146170.2-25.434000111.8K299 Q300 S301 E532 W543P297-K299 PolarHBondContact O-N 2.78Å; P297-Q300 HydrophobicContact CB-CB 4.43Å; P297-Q300 WeakPolarHBondContact O-CB 3.22Å; P297-Q300 PolarHBondContact O-N 3.32Å; P297-S301 PolarHBondContact O-N 2.97Å; P297-S301 VanDerWaalsContact O-N 3.09Å; P297-S301 PolarHBondContact O-OG 3.46Å; P297-E532 WeakPolarHBondContact CA-OE1 3.36Å; P297-W543 HydrophobicContact CB-CH2 4.17Å; P297-W543 HydrophobicContact CG-CH2 3.94Å
298V94.2Very high92.5Very high3 Ų331.1 Ų31.12%0.01817%0.168CC..Hα-helixtrans-55.8-42.1-179.7176.40000110.8V264 P267 Q300 S301 V302 L528 I529 E532V264-V298 HydrophobicContact CG1-CG2 3.54Å; P267-V298 HydrophobicContact CG-CG1 4.35Å; V298-Q300 VanDerWaalsContact C-N 3.3Å; V298-Q300 PolarHBondContact O-N 3.33Å; V298-S301 WeakPolarHBondContact O-CB 3.33Å; V298-S301 PolarHBondContact O-N 2.67Å; V298-S301 VanDerWaalsContact O-N 3.15Å; V298-V302 HydrophobicContact CG1-CG2 4.43Å; V298-V302 WeakPolarHBondContact O-CG2 3.06Å; V298-V302 PolarHBondContact O-N 3.2Å; V298-L528 HydrophobicContact CG1-CB 4.31Å; V298-L528 HydrophobicContact CG1-CD2 3.92Å; V298-L528 HydrophobicContact CG1-CG 4.27Å; V298-L528 HydrophobicContact CG2-CD2 3.86Å; V298-L528 HydrophobicContact CG2-CG 4.03Å; V298-I529 HydrophobicContact CB-CG1 3.95Å; V298-I529 HydrophobicContact CG1-CD1 4.41Å; V298-I529 HydrophobicContact CG1-CG1 3.61Å; V298-E532 PolarHBondContact N-OE1 3.18Å; V298-E532 VanDerWaalsContact N-OE1 3.09Å; V298-E532 PolarHBondContact N-OE2 2.91Å
299K95.3Very high92.4Very high125 Ų12531.8 Ų31.854%0.54317%0.171SC..Hα-helixtrans-58.8-39.1177.9-175.8176.3-177.5174.40113.1P297 T303 I529P297-K299 PolarHBondContact O-N 2.78Å; K299-T303 WeakPolarHBondContact O-CB 3.3Å; K299-T303 PolarHBondContact O-N 3.06Å; K299-T303 PolarHBondContact O-OG1 2.89Å; K299-I529 HydrophobicContact CB-CD1 4.2Å; K299-I529 HydrophobicContact CB-CG1 4.36Å
300Q94.3Very high92.4Very high96 Ų9638 Ų3845%0.44920%0.197SC..Hα-helixtrans-68.6-42.5177.5-173.7177.33.700110.6P297 V298 V302 T303 L304P297-Q300 HydrophobicContact CB-CB 4.43Å; P297-Q300 WeakPolarHBondContact O-CB 3.22Å; P297-Q300 PolarHBondContact O-N 3.32Å; V298-Q300 VanDerWaalsContact C-N 3.3Å; V298-Q300 PolarHBondContact O-N 3.33Å; Q300-V302 PolarHBondContact O-N 3.41Å; Q300-T303 PolarHBondContact O-N 3.35Å; Q300-L304 WeakPolarHBondContact O-CB 3.37Å; Q300-L304 PolarHBondContact O-N 2.95Å
301S94.2Very high92.4Very high1 Ų139.1 Ų39.11%0.00720%0.203CC..Hα-helixtrans-58.3-46.1176.6-56.20000111.9S292 P297 V298 A305S292-S301 WeakPolarHBondContact CB-OG 3.2Å; S292-S301 WeakPolarHBondContact OG-CA 3.41Å; S292-S301 VanDerWaalsContact OG-CB 3.23Å; S292-S301 WeakPolarHBondContact OG-CB 3.49Å; S292-S301 PolarHBondContact OG-OG 3.45Å; P297-S301 PolarHBondContact O-N 2.97Å; P297-S301 VanDerWaalsContact O-N 3.09Å; P297-S301 PolarHBondContact O-OG 3.46Å; V298-S301 WeakPolarHBondContact O-CB 3.33Å; V298-S301 PolarHBondContact O-N 2.67Å; V298-S301 VanDerWaalsContact O-N 3.15Å; S301-A305 WeakPolarHBondContact O-CB 3.48Å; S301-A305 PolarHBondContact O-N 3.36Å; S301-A305 VanDerWaalsContact O-N 3.08Å
302V95.1Very high92.5Very high19 Ų1939.1 Ų39.112%0.11520%0.203CC..Hα-helixtrans-65.4-42.1177.9172.50000111.8I269 V298 Q300 A305 C306 L516 Y525I269-V302 HydrophobicContact CD1-CG2 4.4Å; V298-V302 HydrophobicContact CG1-CG2 4.43Å; V298-V302 WeakPolarHBondContact O-CG2 3.06Å; V298-V302 PolarHBondContact O-N 3.2Å; Q300-V302 PolarHBondContact O-N 3.41Å; V302-A305 PolarHBondContact O-N 2.93Å; V302-C306 WeakPolarHBondContact O-CB 3.23Å; V302-C306 PolarHBondContact O-N 3.21Å; V302-L516 HydrophobicContact CG1-CD2 4.06Å; V302-Y525 HydrophobicContact CG2-CD1 3.46Å; V302-Y525 VanDerWaalsContact CG2-CD1 3.46Å; V302-Y525 HydrophobicContact CG2-CE1 3.96Å; V302-Y525 HydrophobicContact CG2-CG 4.07Å
303T95.7Very high92.7Very high68 Ų6842.3 Ų42.342%0.41722%0.218SC..Hα-helixtrans-64.9-46.7-179.8-59.70000110.9K299 Q300 A305 C306 E307K299-T303 WeakPolarHBondContact O-CB 3.3Å; K299-T303 PolarHBondContact O-N 3.06Å; K299-T303 PolarHBondContact O-OG1 2.89Å; Q300-T303 PolarHBondContact O-N 3.35Å; T303-A305 PolarHBondContact O-N 3.09Å; T303-C306 WeakPolarHBondContact O-CB 3.45Å; T303-C306 PolarHBondContact O-N 3.25Å; T303-E307 WeakPolarHBondContact O-CG 3.45Å; T303-E307 PolarHBondContact O-N 3.48Å
304L94.9Very high93.1Very high23 Ų2344.6 Ų44.612%0.1223%0.226CC..Hα-helixtrans-58.8-46177.4-17763.7000111.9Q300 C306 E307 L308 V358 V364Q300-L304 WeakPolarHBondContact O-CB 3.37Å; Q300-L304 PolarHBondContact O-N 2.95Å; L304-C306 VanDerWaalsContact C-N 3.32Å; L304-C306 PolarHBondContact O-N 2.89Å; L304-E307 PolarHBondContact O-N 2.96Å; L304-L308 WeakPolarHBondContact O-CB 3.42Å; L304-L308 PolarHBondContact O-N 3.33Å; L304-V358 HydrophobicContact CD1-CB 4.46Å; L304-V358 HydrophobicContact CD1-CG1 3.98Å; L304-V358 HydrophobicContact CD1-CG2 3.61Å; L304-V358 HydrophobicContact CD2-CG1 4.37Å; L304-V364 HydrophobicContact CD2-CG2 3.39Å; L304-V364 HydrophobicContact CG-CG2 4.25Å
305A95.7Very high93.7Very high0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-65.7-34.7177.700000112.4I269 L271 L290 S301 V302 T303 L308 Q309 L516I269-A305 HydrophobicContact CB-CB 4.35Å; I269-A305 HydrophobicContact CD1-CB 3.63Å; I269-A305 HydrophobicContact CG2-CB 4.02Å; L271-A305 HydrophobicContact CD2-CB 4.24Å; L290-A305 HydrophobicContact CD1-CB 4.23Å; L290-A305 HydrophobicContact CD2-CB 4.31Å; S301-A305 WeakPolarHBondContact O-CB 3.48Å; S301-A305 PolarHBondContact O-N 3.36Å; S301-A305 VanDerWaalsContact O-N 3.08Å; V302-A305 PolarHBondContact O-N 2.93Å; T303-A305 PolarHBondContact O-N 3.09Å; A305-L308 PolarHBondContact O-N 2.64Å; A305-Q309 WeakPolarHBondContact O-CG 3.48Å; A305-Q309 PolarHBondContact O-N 2.64Å; A305-L516 HydrophobicContact CB-CD1 3.66Å
306C95.4Very high94.3Very high41 Ų4144.2 Ų44.228%0.27722%0.215SC..Hα-helixtrans-65.6-44.3174.7-174.30000112.2V302 T303 L304 L308 Q309 K310 L516V302-C306 WeakPolarHBondContact O-CB 3.23Å; V302-C306 PolarHBondContact O-N 3.21Å; T303-C306 WeakPolarHBondContact O-CB 3.45Å; T303-C306 PolarHBondContact O-N 3.25Å; L304-C306 VanDerWaalsContact C-N 3.32Å; L304-C306 PolarHBondContact O-N 2.89Å; C306-L308 VanDerWaalsContact C-N 3.33Å; C306-Q309 PolarHBondContact O-N 3.41Å; C306-K310 WeakPolarHBondContact O-CG 3.44Å; C306-K310 PolarHBondContact O-N 3.08Å; C306-K310 VanDerWaalsContact O-N 3.08Å; C306-L516 HydrophobicContact CB-CD1 4.06Å; C306-L516 VanDerWaalsContact N-CD1 3.34Å
307E96.3Very high94.4Very high95 Ų9547.3 Ų47.344%0.44424%0.24SC..Hα-helixtrans-61.6-43.6175.1-70.5177.3174.600111.2T303 L304 K310 E311 L356T303-E307 WeakPolarHBondContact O-CG 3.45Å; T303-E307 PolarHBondContact O-N 3.48Å; L304-E307 PolarHBondContact O-N 2.96Å; E307-K310 PolarHBondContact O-N 2.99Å; E307-E311 PolarHBondContact O-N 2.95Å; E307-L356 HydrophobicContact CB-CD1 4.22Å
308L96.1Very high94.1Very high3 Ų351.5 Ų51.52%0.01626%0.257CS..Hα-helixtrans-62.6-45.8177.3-170.365.8000112.1L271 L290 L304 A305 C306 K310 E311 M312 I349 A352 C353 L356L271-L308 HydrophobicContact CD1-CD2 3.6Å; L271-L308 HydrophobicContact CD2-CD2 4.45Å; L290-L308 HydrophobicContact CD1-CD2 3.62Å; L304-L308 WeakPolarHBondContact O-CB 3.42Å; L304-L308 PolarHBondContact O-N 3.33Å; A305-L308 PolarHBondContact O-N 2.64Å; C306-L308 VanDerWaalsContact C-N 3.33Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.44Å; L308-E311 PolarHBondContact O-N 3.17Å; L308-M312 HydrophobicContact CG-CG 4.49Å; L308-M312 HydrophobicContact CG-SD 4.11Å; L308-M312 WeakPolarHBondContact O-CB 3.38Å; L308-M312 WeakPolarHBondContact O-CG 3.36Å; L308-M312 PolarHBondContact O-N 3.27Å; L308-I349 HydrophobicContact CD2-CG2 4.36Å; L308-A352 HydrophobicContact CD1-CB 3.52Å; L308-C353 VanDerWaalsContact CD1-SG 3.6Å; L308-L356 HydrophobicContact CB-CD1 4.32Å; L308-L356 HydrophobicContact CD1-CD1 4.09Å
309Q94.8Very high93.5Very high13 Ų1353.3 Ų53.36%0.06127%0.271CS..Hα-helixtrans-60.1-41.2175.9-79.8-171.1-23.200112.4L271 A305 C306 E311 M312 M313 G333 L335L271-Q309 HydrophobicContact CD2-CG 3.94Å; A305-Q309 WeakPolarHBondContact O-CG 3.48Å; A305-Q309 PolarHBondContact O-N 2.64Å; C306-Q309 PolarHBondContact O-N 3.41Å; Q309-E311 VanDerWaalsContact C-N 3.34Å; Q309-E311 PolarHBondContact O-N 3.14Å; Q309-M312 PolarHBondContact O-N 2.68Å; Q309-M313 WeakPolarHBondContact O-CG 3.38Å; Q309-M313 PolarHBondContact O-N 2.81Å; Q309-G333 PolarHBondContact NE2-O 2.61Å; Q309-G333 VanDerWaalsContact NE2-O 3.07Å; Q309-L335 HydrophobicContact CB-CD1 4.32Å; Q309-L335 HydrophobicContact CG-CD1 4.32Å
310K95.1Very high92.3Very high130 Ų13050 Ų5057%0.56527%0.271SS*.Hα-helixtrans-61.4-44176.2-73.4169.9-177.2167.50111.6C306 E307 L308 M313 R314C306-K310 WeakPolarHBondContact O-CG 3.44Å; C306-K310 PolarHBondContact O-N 3.08Å; C306-K310 VanDerWaalsContact O-N 3.08Å; E307-K310 PolarHBondContact O-N 2.99Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.44Å; K310-M313 HydrophobicContact CG-CE 4.24Å; K310-M313 PolarHBondContact O-N 2.85Å; K310-R314 PolarHBondContact O-N 3.39Å
311E96.4Very high90.7Very high24 Ų2456.2 Ų56.211%0.11230%0.297CS..Hα-helixtrans-68.1-39.8177.9-177.858.2-166.200112E307 L308 Q309 M313 R314 L315 A352 N355 L356E307-E311 PolarHBondContact O-N 2.95Å; L308-E311 PolarHBondContact O-N 3.17Å; Q309-E311 VanDerWaalsContact C-N 3.34Å; Q309-E311 PolarHBondContact O-N 3.14Å; E311-M313 PolarHBondContact O-N 3.02Å; E311-R314 WeakPolarHBondContact O-CB 3.45Å; E311-R314 PolarHBondContact O-N 2.86Å; E311-R314 IonicContact OE1-CZ 3.33Å; E311-R314 IonicContact OE1-NE 3.19Å; E311-R314 PolarHBondContact OE1-NE 3.16Å; E311-R314 IonicContact OE1-NH2 2.67Å; E311-R314 PolarHBondContact OE1-NH2 2.97Å; E311-R314 IonicContact OE2-CZ 3.74Å; E311-R314 IonicContact OE2-NE 2.82Å; E311-R314 PolarHBondContact OE2-NE 2.95Å; E311-R314 IonicContact OE2-NH2 3.81Å; E311-L315 HydrophobicContact CG-CD1 4.46Å; E311-L315 WeakPolarHBondContact O-CG 3.36Å; E311-L315 PolarHBondContact O-N 3.16Å; E311-A352 HydrophobicContact CB-CB 4.25Å; E311-A352 HydrophobicContact CG-CB 3.84Å; E311-N355 HydrophobicContact CG-CB 4.22Å; E311-N355 WeakPolarHBondContact OE1-CB 3.27Å; E311-N355 PolarHBondContact OE1-ND2 3.46Å; E311-L356 HydrophobicContact CB-CD1 3.91Å; E311-L356 HydrophobicContact CB-CD2 4.33Å; E311-L356 HydrophobicContact CB-CG 4.11Å; E311-L356 HydrophobicContact CG-CD1 4.39Å; E311-L356 HydrophobicContact CG-CG 4.15Å
312M95.6Very high89.2Confident0 Ų059.4 Ų59.40%033%0.33CS..Hα-helixtrans-59.2-44.5172.9-71170.167.500111.6L271 L272 L308 Q309 R314 L315 M316 L335 L348 I349 A352L271-M312 HydrophobicContact CB-CE 4.35Å; L271-M312 HydrophobicContact CB-SD 4.38Å; L271-M312 HydrophobicContact CD1-SD 4.22Å; L272-M312 HydrophobicContact CB-CE 4.32Å; L272-M312 HydrophobicContact CD1-CE 4.21Å; L308-M312 HydrophobicContact CG-CG 4.49Å; L308-M312 HydrophobicContact CG-SD 4.11Å; L308-M312 WeakPolarHBondContact O-CB 3.38Å; L308-M312 WeakPolarHBondContact O-CG 3.36Å; L308-M312 PolarHBondContact O-N 3.27Å; Q309-M312 PolarHBondContact O-N 2.68Å; M312-R314 VanDerWaalsContact C-N 3.32Å; M312-R314 PolarHBondContact O-N 3Å; M312-L315 PolarHBondContact O-N 3.39Å; M312-M316 HydrophobicContact CB-CE 4.15Å; M312-M316 WeakPolarHBondContact O-CB 3.33Å; M312-M316 WeakPolarHBondContact O-CE 3.43Å; M312-M316 WeakPolarHBondContact O-CG 3.39Å; M312-M316 PolarHBondContact O-N 2.84Å; M312-L335 HydrophobicContact CB-CD1 4.2Å; M312-L335 HydrophobicContact CE-CD1 4.47Å; M312-L348 HydrophobicContact CB-CD2 4.31Å; M312-L348 HydrophobicContact CB-CG 4.42Å; M312-L348 HydrophobicContact CE-CD2 3.92Å; M312-L348 HydrophobicContact CE-CG 4.4Å; M312-L348 HydrophobicContact CG-CD2 4.47Å; M312-L348 HydrophobicContact CG-CG 4.24Å; M312-I349 HydrophobicContact CE-CD1 4.37Å; M312-I349 HydrophobicContact CE-CG1 3.74Å; M312-I349 HydrophobicContact SD-CG1 3.98Å; M312-A352 HydrophobicContact CG-CB 3.78Å
313M93.4Very high88.2Confident67 Ų6759.9 Ų59.933%0.3334%0.338SS..Hα-helixtrans-61.1-40.4174.9-73.5-172.7-72.600112.1Q309 K310 E311 M316 S317 L326 L335Q309-M313 WeakPolarHBondContact O-CG 3.38Å; Q309-M313 PolarHBondContact O-N 2.81Å; K310-M313 HydrophobicContact CG-CE 4.24Å; K310-M313 PolarHBondContact O-N 2.85Å; E311-M313 PolarHBondContact O-N 3.02Å; M313-M316 HydrophobicContact CG-CE 4.5Å; M313-M316 PolarHBondContact O-N 2.82Å; M313-S317 PolarHBondContact O-N 3.08Å; M313-S317 PolarHBondContact O-OG 2.99Å; M313-L326 HydrophobicContact CG-CD2 4.23Å; M313-L335 HydrophobicContact CG-CD1 3.81Å; M313-L335 HydrophobicContact CG-CD2 3.72Å; M313-L335 HydrophobicContact CG-CG 4.45Å; M313-L335 HydrophobicContact SD-CD2 3.73Å
314R94.1Very high87.6Confident103 Ų10357.3 Ų57.339%0.38932%0.322SS..Hα-helixtrans-63.2-43.4175.4-167.1-167.671.177.30.4111.8K310 E311 M312 S317 M318 N355K310-R314 PolarHBondContact O-N 3.39Å; E311-R314 WeakPolarHBondContact O-CB 3.45Å; E311-R314 PolarHBondContact O-N 2.86Å; E311-R314 IonicContact OE1-CZ 3.33Å; E311-R314 IonicContact OE1-NE 3.19Å; E311-R314 PolarHBondContact OE1-NE 3.16Å; E311-R314 IonicContact OE1-NH2 2.67Å; E311-R314 PolarHBondContact OE1-NH2 2.97Å; E311-R314 IonicContact OE2-CZ 3.74Å; E311-R314 IonicContact OE2-NE 2.82Å; E311-R314 PolarHBondContact OE2-NE 2.95Å; E311-R314 IonicContact OE2-NH2 3.81Å; M312-R314 VanDerWaalsContact C-N 3.32Å; M312-R314 PolarHBondContact O-N 3Å; R314-S317 PolarHBondContact O-N 3.11Å; R314-S317 PolarHBondContact O-OG 3.07Å; R314-M318 PolarHBondContact NH1-SD 3.05Å; R314-M318 WeakPolarHBondContact O-CG 3.4Å; R314-M318 PolarHBondContact O-N 2.86Å; R314-N355 PolarHBondContact NH2-ND2 2.96Å
315L93.6Very high87.1Confident34 Ų3458.8 Ų58.818%0.17833%0.332CS..Hα-helixtrans-67.4-41.2177.9-71.2175.9000112.1E311 M312 S317 M318 S319 L348 N351 A352E311-L315 HydrophobicContact CG-CD1 4.46Å; E311-L315 WeakPolarHBondContact O-CG 3.36Å; E311-L315 PolarHBondContact O-N 3.16Å; M312-L315 PolarHBondContact O-N 3.39Å; L315-S317 VanDerWaalsContact C-N 3.32Å; L315-S317 PolarHBondContact O-N 2.6Å; L315-M318 PolarHBondContact O-N 3.06Å; L315-S319 PolarHBondContact O-N 2.98Å; L315-L348 HydrophobicContact CB-CD1 3.62Å; L315-L348 HydrophobicContact CD1-CD1 4.07Å; L315-N351 HydrophobicContact CD1-CB 3.94Å; L315-A352 HydrophobicContact CD1-CB 3.95Å
316M91.6Very high86.8Confident5 Ų561.9 Ų61.93%0.02535%0.348CS..Hα-helixtrans-63.8-35.3176.6-76.7-173.2-80.200112.7M312 M313 M318 S319 I324 L326 L335 A337 L348M312-M316 HydrophobicContact CB-CE 4.15Å; M312-M316 WeakPolarHBondContact O-CB 3.33Å; M312-M316 WeakPolarHBondContact O-CE 3.43Å; M312-M316 WeakPolarHBondContact O-CG 3.39Å; M312-M316 PolarHBondContact O-N 2.84Å; M313-M316 HydrophobicContact CG-CE 4.5Å; M313-M316 PolarHBondContact O-N 2.82Å; M316-M318 VanDerWaalsContact C-N 3.32Å; M316-S319 WeakPolarHBondContact O-CB 3.34Å; M316-S319 PolarHBondContact O-N 3.04Å; M316-I324 HydrophobicContact CG-CG2 4.22Å; M316-I324 HydrophobicContact SD-CG1 4.4Å; M316-L326 HydrophobicContact CB-CB 4.14Å; M316-L326 HydrophobicContact CE-CB 4.35Å; M316-L326 HydrophobicContact CE-CD1 4Å; M316-L326 HydrophobicContact SD-CB 3.98Å; M316-L326 HydrophobicContact SD-CD1 4.32Å; M316-L335 HydrophobicContact CE-CB 4.4Å; M316-L335 HydrophobicContact CE-CD1 3.71Å; M316-A337 HydrophobicContact SD-CB 4.03Å; M316-L348 HydrophobicContact CE-CD2 4.05Å; M316-L348 HydrophobicContact CG-CD1 4.14Å; M316-L348 HydrophobicContact CG-CD2 3.73Å; M316-L348 HydrophobicContact SD-CD2 3.82Å
317S87.9Confident86.2Confident98 Ų9862.5 Ų62.569%0.68535%0.353SS*.Hα-helixtrans-73.6-23.9177.969.30000113.5M313 R314 L315M313-S317 PolarHBondContact O-N 3.08Å; M313-S317 PolarHBondContact O-OG 2.99Å; R314-S317 PolarHBondContact O-N 3.11Å; R314-S317 PolarHBondContact O-OG 3.07Å; L315-S317 VanDerWaalsContact C-N 3.32Å; L315-S317 PolarHBondContact O-N 2.6Å
318M86.8Confident85.8Confident133 Ų13360.9 Ų60.966%0.65535%0.352SS*.THydrogen-bonded Turntrans-88.4-7.2176-67.3-178.365.100113.5R314 L315 M316R314-M318 PolarHBondContact NH1-SD 3.05Å; R314-M318 WeakPolarHBondContact O-CG 3.4Å; R314-M318 PolarHBondContact O-N 2.86Å; L315-M318 PolarHBondContact O-N 3.06Å; M316-M318 VanDerWaalsContact C-N 3.32Å
319S80.8Confident85.3Confident42 Ų4264.3 Ų64.329%0.29437%0.373SS..  trans-75.8131.8-173.1-168.60000111.8L315 M316 G323 I324L315-S319 PolarHBondContact O-N 2.98Å; M316-S319 WeakPolarHBondContact O-CB 3.34Å; M316-S319 PolarHBondContact O-N 3.04Å; S319-G323 VanDerWaalsContact OG-CA 3.3Å; S319-G323 WeakPolarHBondContact OG-CA 3.49Å; S319-I324 WeakPolarHBondContact CB-O 3.29Å; S319-I324 PolarHBondContact OG-O 3.31Å
320G69.7Low84.7Confident54 Ų5465.4 Ų65.456%0.55738%0.382SS*.  trans-78.4-175.1-179.100000114.3G322 G323G320-G322 PolarHBondContact O-N 2.89Å; G320-G322 VanDerWaalsContact O-N 3.1Å; G320-G323 PolarHBondContact O-N 3.49Å; G320-G323 VanDerWaalsContact O-N 3.12Å
321K61.1Low83.8Confident228 Ų22863 Ų6399%0.99137%0.373SS*.THydrogen-bonded Turntrans-56.8116175.4-72.8-176.6178.2179.20110.5
322G63.3Low82.8Confident68 Ų6862 Ų6270%0.70137%0.368SS*.THydrogen-bonded Turntrans100.4-3.417800000115.6G320 Q344G320-G322 PolarHBondContact O-N 2.89Å; G320-G322 VanDerWaalsContact O-N 3.1Å; G322-Q344 PolarHBondContact O-NE2 2.82Å
323G73.5Confident82.3Confident28 Ų2862.3 Ų62.329%0.28937%0.372SS..SBendtrans-89.5176.5168.800000112.7S319 G320S319-G323 VanDerWaalsContact OG-CA 3.3Å; S319-G323 WeakPolarHBondContact OG-CA 3.49Å; G320-G323 PolarHBondContact O-N 3.49Å; G320-G323 VanDerWaalsContact O-N 3.12Å
324I83.7Confident82.1Confident14 Ų1459.2 Ų59.27%0.07236%0.357CS..  trans-68.4129.8178-172.3162.8000110.3L272 M316 S319 A337 C339 P345 L348L272-I324 HydrophobicContact CD2-CD1 4.28Å; M316-I324 HydrophobicContact CG-CG2 4.22Å; M316-I324 HydrophobicContact SD-CG1 4.4Å; S319-I324 WeakPolarHBondContact CB-O 3.29Å; S319-I324 PolarHBondContact OG-O 3.31Å; I324-A337 HydrophobicContact CD1-CB 3.85Å; I324-A337 HydrophobicContact CG1-CB 3.76Å; I324-C339 WeakPolarHBondContact CD1-SG 3.19Å; I324-P345 HydrophobicContact CD1-CB 4.02Å; I324-L348 HydrophobicContact CD1-CB 4.39Å; I324-L348 HydrophobicContact CD1-CD2 3.8Å; I324-L348 HydrophobicContact CG1-CD2 4.39Å; I324-L348 HydrophobicContact CG2-CB 4.2Å; I324-L348 HydrophobicContact CG2-CD1 4.2Å; I324-L348 HydrophobicContact CG2-CD2 4.11Å; I324-L348 HydrophobicContact CG2-CG 4.39Å
325T85.1Confident82Confident55 Ų5554.4 Ų54.434%0.33734%0.339SS..EExtended strand (participates in β ladder)trans-123.3141.7-179.1580000111.2S327 A337 S338T325-S327 PolarHBondContact O-N 3.16Å; T325-A337 WeakPolarHBondContact O-CA 3.03Å; T325-S338 PolarHBondContact O-N 2.75Å
326L88.3Confident81.9Confident64 Ų6453.8 Ų53.834%0.33534%0.336SS..EExtended strand (participates in β ladder)trans-71.2124.4172.9-176.567.4000108.9M313 M316 V329 L335M313-L326 HydrophobicContact CG-CD2 4.23Å; M316-L326 HydrophobicContact CB-CB 4.14Å; M316-L326 HydrophobicContact CE-CB 4.35Å; M316-L326 HydrophobicContact CE-CD1 4Å; M316-L326 HydrophobicContact SD-CB 3.98Å; M316-L326 HydrophobicContact SD-CD1 4.32Å; L326-V329 HydrophobicContact CD1-CG2 4.44Å; L326-V329 HydrophobicContact CD2-CG2 4.35Å; L326-L335 HydrophobicContact CD1-CB 3.96Å; L326-L335 HydrophobicContact CD1-CD2 4.08Å
327S83.1Confident81.8Confident55 Ų5553.5 Ų53.539%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-98.9-45.8-179.4-57.70000111.6P279 T325 T336 S338P279-S327 VanDerWaalsContact CG-CB 3.49Å; P279-S327 WeakPolarHBondContact CG-OG 3.45Å; T325-S327 PolarHBondContact O-N 3.16Å; S327-T336 WeakPolarHBondContact CB-O 3.35Å; S327-T336 PolarHBondContact N-O 2.87Å; S327-S338 PolarHBondContact OG-N 2.95Å
328S86.9Confident81.9Confident60 Ų6050.1 Ų50.142%0.4231%0.311SS..EExtended strand (participates in β ladder)trans-160.2168.9176.4620000110T336S328-T336 PolarHBondContact N-O 2.96Å; S328-T336 WeakPolarHBondContact O-CB 3.25Å; S328-T336 PolarHBondContact O-N 3.44Å; S328-T336 WeakPolarHBondContact OG-CB 3.21Å; S328-T336 PolarHBondContact OG-OG1 3.39Å
329V86.6Confident82Confident76 Ų7643.8 Ų43.846%0.46128%0.28SS..EExtended strand (participates in β ladder)trans-114.5130166.5-175.80000106.6L326 V334 L335L326-V329 HydrophobicContact CD1-CG2 4.44Å; L326-V329 HydrophobicContact CD2-CG2 4.35Å; V329-V334 WeakPolarHBondContact CA-O 3.38Å; V329-L335 HydrophobicContact CG1-CD2 4.34Å; V329-L335 HydrophobicContact CG2-CD2 3.82Å
330S83.2Confident82.5Confident36 Ų3645 Ų4525%0.25228%0.281SS..  trans-69.3162.4177.874.30000111.1N332 G333 V334S330-N332 PolarHBondContact O-N 3.39Å; S330-N332 PolarHBondContact OG-N 3.47Å; S330-G333 PolarHBondContact O-N 3.24Å; S330-V334 PolarHBondContact N-O 3.38Å; S330-V334 WeakPolarHBondContact OG-CB 3.31Å; S330-V334 PolarHBondContact OG-N 2.91Å; S330-V334 PolarHBondContact OG-O 2.97Å
331H75.4Confident83.5Confident79 Ų7948.9 Ų48.937%0.36628%0.279SS..THydrogen-bonded Turntrans-54.6-33173.560.5-79.7000111.9N79 G333 L490 G517 G518N79-H331 VanDerWaalsContact CG-NE2 3.35Å; N79-H331 PolarHBondContact ND2-CE1 2.92Å; N79-H331 PolarHBondContact ND2-NE2 2.98Å; N79-H331 PolarHBondContact OD1-CD2 2.92Å; N79-H331 PolarHBondContact OD1-CE1 3.29Å; N79-H331 PolarHBondContact OD1-ND1 3.46Å; N79-H331 PolarHBondContact OD1-NE2 2.94Å; H331-G333 PolarHBondContact O-N 3.26Å; H331-L490 PolarHBondContact NE2-O 2.99Å; H331-G517 CarbonylContact O-C 3.1Å; H331-G518 WeakPolarHBondContact O-CA 3.35Å; H331-G518 PolarHBondContact O-N 3.36Å
332N75.3Confident84.9Confident2 Ų239 Ų391%0.01124%0.238CC..THydrogen-bonded Turntrans-83.411.7176.1-74.8-10.8000114.6S330 V334 L490 G515 L516 G517 T521S330-N332 PolarHBondContact O-N 3.39Å; S330-N332 PolarHBondContact OG-N 3.47Å; N332-V334 VanDerWaalsContact C-N 3.3Å; N332-V334 PolarHBondContact O-N 3.44Å; N332-L490 PolarHBondContact ND2-O 3.16Å; N332-G515 CarbonylContact O-C 3.53Å; N332-G515 VanDerWaalsContact O-C 3.28Å; N332-G515 WeakPolarHBondContact O-CA 3.33Å; N332-L516 PolarHBondContact O-N 3.35Å; N332-G517 CarbonylContact C-O 3.53Å; N332-G517 VanDerWaalsContact CA-O 3.25Å; N332-G517 WeakPolarHBondContact CA-O 3.47Å; N332-G517 PolarHBondContact O-N 3.17Å; N332-T521 PolarHBondContact OD1-OG1 3.5Å
333G84.7Confident86.4Confident8 Ų837.3 Ų37.38%0.08221%0.213CC..SBendtrans69.422.6176.500000114.8Q309 S330 H331Q309-G333 PolarHBondContact NE2-O 2.61Å; Q309-G333 VanDerWaalsContact NE2-O 3.07Å; S330-G333 PolarHBondContact O-N 3.24Å; H331-G333 PolarHBondContact O-N 3.26Å
334V89.8Confident87.3Confident1 Ų137.2 Ų37.21%0.00621%0.205CC..PPolyproline II helixtrans-86.9133.1170.7-179.80000109.2T270 V329 S330 N332 L490T270-V334 HydrophobicContact CG2-CG1 3.79Å; T270-V334 HydrophobicContact CG2-CG2 3.91Å; V329-V334 WeakPolarHBondContact CA-O 3.38Å; S330-V334 PolarHBondContact N-O 3.38Å; S330-V334 WeakPolarHBondContact OG-CB 3.31Å; S330-V334 PolarHBondContact OG-N 2.91Å; S330-V334 PolarHBondContact OG-O 2.97Å; N332-V334 VanDerWaalsContact C-N 3.3Å; N332-V334 PolarHBondContact O-N 3.44Å; V334-L490 HydrophobicContact CG2-CD2 3.48Å; V334-L490 VanDerWaalsContact CG2-CD2 3.48Å
335L92.3Very high87.8Confident2 Ų236.6 Ų36.61%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-74.9130.3175.7-54.3179.7000109.2L271 L272 S273 Q309 M312 M313 M316 L326 V329L271-L335 PolarHBondContact O-N 3.44Å; L272-L335 CarbonylContact C-O 3.59Å; L272-L335 WeakPolarHBondContact CA-O 3.38Å; L272-L335 HydrophobicContact CD1-CB 3.73Å; L272-L335 WeakPolarHBondContact CD1-O 3.47Å; S273-L335 PolarHBondContact N-O 3.04Å; Q309-L335 HydrophobicContact CB-CD1 4.32Å; Q309-L335 HydrophobicContact CG-CD1 4.32Å; M312-L335 HydrophobicContact CB-CD1 4.2Å; M312-L335 HydrophobicContact CE-CD1 4.47Å; M313-L335 HydrophobicContact CG-CD1 3.81Å; M313-L335 HydrophobicContact CG-CD2 3.72Å; M313-L335 HydrophobicContact CG-CG 4.45Å; M313-L335 HydrophobicContact SD-CD2 3.73Å; M316-L335 HydrophobicContact CE-CB 4.4Å; M316-L335 HydrophobicContact CE-CD1 3.71Å; L326-L335 HydrophobicContact CD1-CB 3.96Å; L326-L335 HydrophobicContact CD1-CD2 4.08Å; V329-L335 HydrophobicContact CG1-CD2 4.34Å; V329-L335 HydrophobicContact CG2-CD2 3.82Å
336T91.3Very high88.3Confident21 Ų2134 Ų3413%0.12919%0.186CC..EExtended strand (participates in β ladder)trans-102120.1172.1-53.20000108.5S278 S327 S328S278-T336 WeakPolarHBondContact OG-CG2 3.48Å; S327-T336 WeakPolarHBondContact CB-O 3.35Å; S327-T336 PolarHBondContact N-O 2.87Å; S328-T336 PolarHBondContact N-O 2.96Å; S328-T336 WeakPolarHBondContact O-CB 3.25Å; S328-T336 PolarHBondContact O-N 3.44Å; S328-T336 WeakPolarHBondContact OG-CB 3.21Å; S328-T336 PolarHBondContact OG-OG1 3.39Å
337A88.2Confident88.7Confident0 Ų033.4 Ų33.40%018%0.183CC..EExtended strand (participates in β ladder)trans-118.1141.2-176.200000113.5L272 S273 M316 I324 T325 C339L272-A337 HydrophobicContact CD1-CB 3.57Å; L272-A337 HydrophobicContact CD2-CB 4.17Å; L272-A337 HydrophobicContact CG-CB 4.16Å; S273-A337 PolarHBondContact O-N 2.95Å; M316-A337 HydrophobicContact SD-CB 4.03Å; I324-A337 HydrophobicContact CD1-CB 3.85Å; I324-A337 HydrophobicContact CG1-CB 3.76Å; T325-A337 WeakPolarHBondContact O-CA 3.03Å; A337-C339 PolarHBondContact O-N 3.3Å
338S90.2Very high89.3Confident26 Ų2631.2 Ų31.218%0.18217%0.167CC..EExtended strand (participates in β ladder)trans-79.5112172.6-174.70000109.8P279 G280 T325 S327P279-S338 VanDerWaalsContact O-CA 3.27Å; P279-S338 WeakPolarHBondContact O-CA 3.47Å; G280-S338 WeakPolarHBondContact CA-OG 3.41Å; G280-S338 PolarHBondContact N-OG 2.8Å; T325-S338 PolarHBondContact O-N 2.75Å; S327-S338 PolarHBondContact OG-N 2.95Å
339C89.9Confident89.7Confident1 Ų128.3 Ų28.31%0.00715%0.147CC..BIsolated β-bridgetrans-121.5144.6-176.1-58.80000111K281 L282 I324 A337K281-C339 PolarHBondContact N-O 2.94Å; L282-C339 HydrophobicContact CB-CB 3.81Å; L282-C339 VanDerWaalsContact CB-O 3.24Å; L282-C339 WeakPolarHBondContact CB-O 3.45Å; L282-C339 HydrophobicContact CD2-CB 3.58Å; L282-C339 HydrophobicContact CG-CB 4.34Å; L282-C339 PolarHBondContact N-O 3.3Å; I324-C339 WeakPolarHBondContact CD1-SG 3.19Å; A337-C339 PolarHBondContact O-N 3.3Å
340E90.1Very high90.2Very high67 Ų6726.7 Ų26.731%0.31314%0.137SC..SBendtrans-105.8-30.6176.4-61.8-69.3127.300111.9K281K281-E340 WeakPolarHBondContact CD-OE2 3.46Å; K281-E340 WeakPolarHBondContact CE-OE2 3.31Å; K281-E340 WeakPolarHBondContact CG-OE2 3.42Å; K281-E340 PolarHBondContact N-OE1 2.97Å; K281-E340 IonicContact NZ-OE2 2.72Å; K281-E340 PolarHBondContact NZ-OE2 3.46Å
341R90.8Very high90.8Very high135 Ų13529.1 Ų29.151%0.50915%0.147SC..SBendtrans-136.3151-175.9-60.5-171.4-58.1154.25.6111.4D343 Q344 P345R341-D343 PolarHBondContact O-N 3.07Å; R341-Q344 HydrophobicContact CB-CG 4.41Å; R341-Q344 PolarHBondContact O-N 3.39Å; R341-P345 WeakPolarHBondContact O-CD 3.14Å
342P91.9Very high91.8Very high21 Ų2125.4 Ų25.414%0.13613%0.13CC..THydrogen-bonded Turntrans-64.9-23.6-178.726.3-35.2000113.8L282 L285 P345 L403L282-P342 HydrophobicContact CD1-CB 4.19Å; L285-P342 HydrophobicContact CD1-CB 3.71Å; L285-P342 HydrophobicContact CG-CB 4.48Å; P342-P345 WeakPolarHBondContact O-CD 3.48Å; P342-L403 HydrophobicContact CB-CD1 4.19Å; P342-L403 HydrophobicContact CB-CD2 4.44Å
343D93.7Very high92.9Very high32 Ų3225.4 Ų25.417%0.17113%0.13CC..Hα-helixtrans-69.6-36177.1-58.7-93.4000113.7R341 L346 D347 K406 Y407R341-D343 PolarHBondContact O-N 3.07Å; D343-L346 PolarHBondContact O-N 3.08Å; D343-L346 VanDerWaalsContact O-N 3.08Å; D343-D347 PolarHBondContact O-N 2.92Å; D343-K406 IonicContact OD1-NZ 2.76Å; D343-K406 PolarHBondContact OD1-NZ 3.03Å; D343-Y407 HydrophobicContact CB-CE2 4.48Å; D343-Y407 WeakPolarHBondContact CB-OH 3.22Å; D343-Y407 PolarHBondContact O-OH 3.47Å
344Q93.4Very high93.4Very high27 Ų2729.4 Ų29.413%0.12615%0.153CC..Hα-helixtrans-56.6-46.8-171.3-74.2178.9-46.400114.5G322 R341 L346 D347 L348G322-Q344 PolarHBondContact O-NE2 2.82Å; R341-Q344 HydrophobicContact CB-CG 4.41Å; R341-Q344 PolarHBondContact O-N 3.39Å; Q344-L346 VanDerWaalsContact C-N 3.29Å; Q344-L346 PolarHBondContact O-N 3.33Å; Q344-D347 PolarHBondContact O-N 2.81Å; Q344-L348 PolarHBondContact O-N 2.85Å
345P93.9Very high93.8Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-70-26.5179.431.2-39.8000112.7L272 I288 I324 R341 P342 I349L272-P345 HydrophobicContact CD2-CB 3.38Å; I288-P345 HydrophobicContact CD1-CB 3.47Å; I288-P345 VanDerWaalsContact CD1-CB 3.47Å; I288-P345 HydrophobicContact CD1-CG 3.64Å; I324-P345 HydrophobicContact CD1-CB 4.02Å; R341-P345 WeakPolarHBondContact O-CD 3.14Å; P342-P345 WeakPolarHBondContact O-CD 3.48Å; P345-I349 WeakPolarHBondContact O-CG1 3.35Å; P345-I349 PolarHBondContact O-N 2.89Å
346L96Very high94Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-75.9-38.1173.5-62.4176.8000112.2I288 D343 Q344 L348 I349 T350 L366 L368 L403 Y407 V410I288-L346 HydrophobicContact CD1-CD2 3.87Å; I288-L346 HydrophobicContact CD1-CG 4.32Å; I288-L346 HydrophobicContact CG2-CD2 4.33Å; D343-L346 PolarHBondContact O-N 3.08Å; D343-L346 VanDerWaalsContact O-N 3.08Å; Q344-L346 VanDerWaalsContact C-N 3.29Å; Q344-L346 PolarHBondContact O-N 3.33Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 2.86Å; L346-I349 PolarHBondContact O-N 2.72Å; L346-T350 WeakPolarHBondContact O-CB 3.37Å; L346-T350 PolarHBondContact O-N 3.06Å; L346-T350 PolarHBondContact O-OG1 3.19Å; L346-L366 HydrophobicContact CD2-CD1 3.84Å; L346-L368 HydrophobicContact CD2-CD2 4.03Å; L346-L403 HydrophobicContact CD1-CD1 3.71Å; L346-L403 HydrophobicContact CD1-CD2 4.18Å; L346-L403 HydrophobicContact CD1-CG 3.86Å; L346-Y407 HydrophobicContact CB-CD1 3.77Å; L346-Y407 HydrophobicContact CB-CD2 4.07Å; L346-Y407 HydrophobicContact CB-CE1 3.59Å; L346-Y407 HydrophobicContact CB-CE2 3.93Å; L346-Y407 HydrophobicContact CB-CG 4.01Å; L346-Y407 HydrophobicContact CD1-CD1 4.35Å; L346-Y407 HydrophobicContact CD1-CD2 3.33Å; L346-Y407 HydrophobicContact CD1-CE2 3.71Å; L346-Y407 HydrophobicContact CD1-CG 3.71Å; L346-Y407 HydrophobicContact CG-CD2 4.33Å; L346-Y407 HydrophobicContact CG-CE2 4.47Å; L346-Y407 HydrophobicContact CG-CG 4.43Å; L346-V410 HydrophobicContact CD1-CG2 4.4Å; L346-V410 HydrophobicContact CD2-CG2 4.31Å
347D95.5Very high94.3Very high53 Ų5343.8 Ų43.828%0.28322%0.22SC..Hα-helixtrans-60.2-42171.9-70.6-27.2000110.9D343 Q344 T350 N351 Y407D343-D347 PolarHBondContact O-N 2.92Å; Q344-D347 PolarHBondContact O-N 2.81Å; D347-T350 PolarHBondContact O-N 2.83Å; D347-N351 WeakPolarHBondContact O-CB 3.5Å; D347-N351 PolarHBondContact O-N 3.38Å; D347-N351 PolarHBondContact O-ND2 2.9Å; D347-N351 VanDerWaalsContact O-ND2 3.12Å; D347-Y407 PolarHBondContact OD1-OH 2.85Å
348L95.8Very high94.6Very high8 Ų844.9 Ų44.94%0.04223%0.227CC..Hα-helixtrans-58.1-50.1175.7176.264.2000111.8M312 L315 M316 I324 Q344 L346 N351 A352M312-L348 HydrophobicContact CB-CD2 4.31Å; M312-L348 HydrophobicContact CB-CG 4.42Å; M312-L348 HydrophobicContact CE-CD2 3.92Å; M312-L348 HydrophobicContact CE-CG 4.4Å; M312-L348 HydrophobicContact CG-CD2 4.47Å; M312-L348 HydrophobicContact CG-CG 4.24Å; L315-L348 HydrophobicContact CB-CD1 3.62Å; L315-L348 HydrophobicContact CD1-CD1 4.07Å; M316-L348 HydrophobicContact CE-CD2 4.05Å; M316-L348 HydrophobicContact CG-CD1 4.14Å; M316-L348 HydrophobicContact CG-CD2 3.73Å; M316-L348 HydrophobicContact SD-CD2 3.82Å; I324-L348 HydrophobicContact CD1-CB 4.39Å; I324-L348 HydrophobicContact CD1-CD2 3.8Å; I324-L348 HydrophobicContact CG1-CD2 4.39Å; I324-L348 HydrophobicContact CG2-CB 4.2Å; I324-L348 HydrophobicContact CG2-CD1 4.2Å; I324-L348 HydrophobicContact CG2-CD2 4.11Å; I324-L348 HydrophobicContact CG2-CG 4.39Å; Q344-L348 PolarHBondContact O-N 2.85Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 2.86Å; L348-N351 PolarHBondContact O-N 3.42Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 3.29Å
349I96.5Very high94.6Very high0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-65.2-42.1-179.8-67.8164.9000110.6L271 I288 L308 M312 P345 L346 N351 A352 C353 L366L271-I349 HydrophobicContact CD1-CD1 4.16Å; L271-I349 HydrophobicContact CD1-CG1 4.39Å; I288-I349 HydrophobicContact CB-CD1 4.19Å; I288-I349 HydrophobicContact CD1-CD1 4.3Å; I288-I349 HydrophobicContact CG2-CD1 3.48Å; I288-I349 VanDerWaalsContact CG2-CD1 3.48Å; L308-I349 HydrophobicContact CD2-CG2 4.36Å; M312-I349 HydrophobicContact CE-CD1 4.37Å; M312-I349 HydrophobicContact CE-CG1 3.74Å; M312-I349 HydrophobicContact SD-CG1 3.98Å; P345-I349 WeakPolarHBondContact O-CG1 3.35Å; P345-I349 PolarHBondContact O-N 2.89Å; L346-I349 PolarHBondContact O-N 2.72Å; I349-N351 VanDerWaalsContact C-N 3.34Å; I349-N351 PolarHBondContact O-N 3.46Å; I349-A352 PolarHBondContact O-N 3.28Å; I349-C353 WeakPolarHBondContact O-CB 3.33Å; I349-C353 PolarHBondContact O-N 3.22Å; I349-C353 PolarHBondContact O-SG 3.33Å; I349-C353 VanDerWaalsContact O-SG 3.39Å; I349-L366 HydrophobicContact CD1-CD2 4.45Å; I349-L366 HydrophobicContact CG2-CD1 4.12Å; I349-L366 HydrophobicContact CG2-CD2 4.11Å
350T96.4Very high94.7Very high41 Ų4148.8 Ų48.825%0.25225%0.249SC..Hα-helixtrans-59.7-44.7177.3-56.80000111.4L346 D347 T354 L360L346-T350 WeakPolarHBondContact O-CB 3.37Å; L346-T350 PolarHBondContact O-N 3.06Å; L346-T350 PolarHBondContact O-OG1 3.19Å; D347-T350 PolarHBondContact O-N 2.83Å; T350-T354 WeakPolarHBondContact O-CB 3.44Å; T350-T354 PolarHBondContact O-N 3.41Å; T350-T354 PolarHBondContact O-OG1 2.79Å; T350-L360 HydrophobicContact CG2-CD2 4.47Å
351N96.1Very high94.6Very high88 Ų8847 Ų4747%0.47125%0.248SC..Hα-helixtrans-65.7-41.3176.4-70.2-28000112L315 D347 L348 I349 T354 N355L315-N351 HydrophobicContact CD1-CB 3.94Å; D347-N351 WeakPolarHBondContact O-CB 3.5Å; D347-N351 PolarHBondContact O-N 3.38Å; D347-N351 PolarHBondContact O-ND2 2.9Å; D347-N351 VanDerWaalsContact O-ND2 3.12Å; L348-N351 PolarHBondContact O-N 3.42Å; I349-N351 VanDerWaalsContact C-N 3.34Å; I349-N351 PolarHBondContact O-N 3.46Å; N351-T354 PolarHBondContact O-N 3.34Å; N351-N355 PolarHBondContact O-N 2.67Å
352A96.9Very high94.4Very high0 Ų044.2 Ų44.20%025%0.246CC..Hα-helixtrans-64.2-45.4177.600000111.7L308 E311 M312 L315 L348 I349 T354 N355 L356L308-A352 HydrophobicContact CD1-CB 3.52Å; E311-A352 HydrophobicContact CB-CB 4.25Å; E311-A352 HydrophobicContact CG-CB 3.84Å; M312-A352 HydrophobicContact CG-CB 3.78Å; L315-A352 HydrophobicContact CD1-CB 3.95Å; L348-A352 WeakPolarHBondContact O-CB 3.48Å; L348-A352 PolarHBondContact O-N 3.29Å; I349-A352 PolarHBondContact O-N 3.28Å; A352-T354 VanDerWaalsContact C-N 3.31Å; A352-T354 PolarHBondContact O-N 2.78Å; A352-N355 PolarHBondContact O-N 2.93Å; A352-L356 WeakPolarHBondContact O-CG 3.33Å; A352-L356 PolarHBondContact O-N 2.78Å
353C96.8Very high94.2Very high2 Ų246.5 Ų46.51%0.01426%0.255CS..Hα-helixtrans-59.2-41.9173.2-73.60000111.9L308 I349 L356 K357 V358 L360L308-C353 VanDerWaalsContact CD1-SG 3.6Å; I349-C353 WeakPolarHBondContact O-CB 3.33Å; I349-C353 PolarHBondContact O-N 3.22Å; I349-C353 PolarHBondContact O-SG 3.33Å; I349-C353 VanDerWaalsContact O-SG 3.39Å; C353-L356 CarbonylContact O-C 3.55Å; C353-L356 PolarHBondContact O-N 2.84Å; C353-K357 PolarHBondContact O-N 3.42Å; C353-V358 HydrophobicContact CB-CB 4.45Å; C353-V358 PolarHBondContact O-N 3.46Å; C353-L360 HydrophobicContact CB-CB 4.3Å
354T96.8Very high94Very high93 Ų9345 Ų4557%0.57125%0.247SC*.Hα-helixtrans-62.2-45.2177.8-58.70000111.5T350 N351 A352 L356 K357T350-T354 WeakPolarHBondContact O-CB 3.44Å; T350-T354 PolarHBondContact O-N 3.41Å; T350-T354 PolarHBondContact O-OG1 2.79Å; N351-T354 PolarHBondContact O-N 3.34Å; A352-T354 VanDerWaalsContact C-N 3.31Å; A352-T354 PolarHBondContact O-N 2.78Å; T354-L356 VanDerWaalsContact C-N 3.34Å; T354-L356 PolarHBondContact O-N 2.7Å; T354-K357 PolarHBondContact O-N 2.94Å; T354-K357 VanDerWaalsContact O-N 3.13Å
355N97.1Very high94.1Very high81 Ų8144.7 Ų44.743%0.43325%0.245SC..Hα-helixtrans-64.6-38.1178.3-70.5-11.7000112.5E311 R314 N351 A352 K357E311-N355 HydrophobicContact CG-CB 4.22Å; E311-N355 WeakPolarHBondContact OE1-CB 3.27Å; E311-N355 PolarHBondContact OE1-ND2 3.46Å; R314-N355 PolarHBondContact NH2-ND2 2.96Å; N351-N355 PolarHBondContact O-N 2.67Å; A352-N355 PolarHBondContact O-N 2.93Å; N355-K357 VanDerWaalsContact C-N 3.25Å; N355-K357 PolarHBondContact O-N 3.34Å
356L96.9Very high94.1Very high57 Ų5744.8 Ų44.830%0.29825%0.245SC..Hα-helixtrans-80.9-3.6176.6-64.8175.3000113.4E307 L308 E311 A352 C353 T354 V358E307-L356 HydrophobicContact CB-CD1 4.22Å; L308-L356 HydrophobicContact CB-CD1 4.32Å; L308-L356 HydrophobicContact CD1-CD1 4.09Å; E311-L356 HydrophobicContact CB-CD1 3.91Å; E311-L356 HydrophobicContact CB-CD2 4.33Å; E311-L356 HydrophobicContact CB-CG 4.11Å; E311-L356 HydrophobicContact CG-CD1 4.39Å; E311-L356 HydrophobicContact CG-CG 4.15Å; A352-L356 WeakPolarHBondContact O-CG 3.33Å; A352-L356 PolarHBondContact O-N 2.78Å; C353-L356 CarbonylContact O-C 3.55Å; C353-L356 PolarHBondContact O-N 2.84Å; T354-L356 VanDerWaalsContact C-N 3.34Å; T354-L356 PolarHBondContact O-N 2.7Å; L356-V358 HydrophobicContact CB-CG2 3.8Å; L356-V358 PolarHBondContact O-N 3.06Å
357K96.6Very high94.1Very high188 Ų18844.8 Ų44.882%0.81725%0.245SC*.THydrogen-bonded Turntrans55.238.8-174.8-54.1177.7-179.21780112.6C353 T354 N355 P359C353-K357 PolarHBondContact O-N 3.42Å; T354-K357 PolarHBondContact O-N 2.94Å; T354-K357 VanDerWaalsContact O-N 3.13Å; N355-K357 VanDerWaalsContact C-N 3.25Å; N355-K357 PolarHBondContact O-N 3.34Å; K357-P359 WeakPolarHBondContact O-CD 3.36Å
358V94.4Very high94.1Very high22 Ų2242.3 Ų42.313%0.13323%0.232CC..  trans-96.7114.2176.1177.90000108.5L304 C353 L356 L360 V364L304-V358 HydrophobicContact CD1-CB 4.46Å; L304-V358 HydrophobicContact CD1-CG1 3.98Å; L304-V358 HydrophobicContact CD1-CG2 3.61Å; L304-V358 HydrophobicContact CD2-CG1 4.37Å; C353-V358 HydrophobicContact CB-CB 4.45Å; C353-V358 PolarHBondContact O-N 3.46Å; L356-V358 HydrophobicContact CB-CG2 3.8Å; L356-V358 PolarHBondContact O-N 3.06Å; V358-L360 PolarHBondContact O-N 2.75Å; V358-V364 HydrophobicContact CG1-CB 4.41Å; V358-V364 HydrophobicContact CG1-CG2 3.6Å
359P90.9Very high94Very high62 Ų6242.9 Ų42.940%0.40324%0.235SC..  trans-65102.1178.7-24.835.5000112.7K357 V362 H363K357-P359 WeakPolarHBondContact O-CD 3.36Å; P359-V362 HydrophobicContact CB-CB 4.03Å; P359-V362 HydrophobicContact CB-CG2 4.44Å; P359-V362 PolarHBondContact O-N 2.86Å; P359-H363 PolarHBondContact O-N 3.33Å
360L92.6Very high93.9Very high48 Ų4842.9 Ų42.925%0.25124%0.235SC..BIsolated β-bridgetrans-71.5130.9174.6-173.865.8000109.9T350 C353 V358 V364 L366 A409T350-L360 HydrophobicContact CG2-CD2 4.47Å; C353-L360 HydrophobicContact CB-CB 4.3Å; V358-L360 PolarHBondContact O-N 2.75Å; L360-V364 HydrophobicContact CD1-CB 4.25Å; L360-V364 HydrophobicContact CD1-CG1 3.95Å; L360-L366 HydrophobicContact CD1-CD1 4.35Å; L360-L366 HydrophobicContact CD1-CG 4.22Å; L360-A409 HydrophobicContact CD1-CB 3.86Å; L360-A409 HydrophobicContact CD2-CB 4.1Å; L360-A409 HydrophobicContact CG-CB 3.5Å
361G88.2Confident93.5Very high29 Ų2941.3 Ų41.330%0.29923%0.226SC..THydrogen-bonded Turntrans86.90.3-171.100000114.8V364 F365G361-V364 PolarHBondContact N-O 3.44Å; G361-F365 VanDerWaalsContact C-CE1 3.42Å; G361-F365 WeakPolarHBondContact O-CE1 3.49Å; G361-F365 WeakPolarHBondContact O-CZ 3.48Å
362V86.3Confident93.3Very high77 Ų7737.1 Ų37.147%0.46720%0.204SC..THydrogen-bonded Turntrans-127.2-54.2176.3179.70000111.2K293 P359K293-V362 WeakPolarHBondContact CD-O 3.48Å; P359-V362 HydrophobicContact CB-CB 4.03Å; P359-V362 HydrophobicContact CB-CG2 4.44Å; P359-V362 PolarHBondContact O-N 2.86Å
363H87.1Confident92.9Very high69 Ų6939.6 Ų39.632%0.31922%0.22SC..THydrogen-bonded Turntrans-97.9-24177.6-72.6-66.4000113.1K293 H296 P359K293-H363 PolarHBondContact N-O 2.79Å; H296-H363 AromaticContact CE1-ND1 3.6Å; H296-H363 AromaticContact NE2-ND1 3.51Å; P359-H363 PolarHBondContact O-N 3.33Å
364V90.9Very high92.4Very high0 Ų045.1 Ų45.10%024%0.244CC..EExtended strand (participates in β ladder)trans-135.1133.2-177.4175.10000108.9L290 L304 V358 L360 G361L290-V364 HydrophobicContact CD1-CG1 3.66Å; L290-V364 HydrophobicContact CD1-CG2 4.41Å; L290-V364 HydrophobicContact CG-CG1 3.8Å; L304-V364 HydrophobicContact CD2-CG2 3.39Å; L304-V364 HydrophobicContact CG-CG2 4.25Å; V358-V364 HydrophobicContact CG1-CB 4.41Å; V358-V364 HydrophobicContact CG1-CG2 3.6Å; L360-V364 HydrophobicContact CD1-CB 4.25Å; L360-V364 HydrophobicContact CD1-CG1 3.95Å; G361-V364 PolarHBondContact N-O 3.44Å
365F94.1Very high92.1Very high21 Ų2141 Ų419%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-122.9165.8172.6-55.2-89.2000109.4I291 G361 A409 V411I291-F365 HydrophobicContact CB-CB 4.28Å; I291-F365 PolarHBondContact N-O 2.97Å; I291-F365 PolarHBondContact O-N 2.85Å; G361-F365 VanDerWaalsContact C-CE1 3.42Å; G361-F365 WeakPolarHBondContact O-CE1 3.49Å; G361-F365 WeakPolarHBondContact O-CZ 3.48Å; F365-A409 CarbonylContact C-O 3.42Å; F365-A409 WeakPolarHBondContact CA-O 3.41Å; F365-V411 HydrophobicContact CB-CB 4.49Å; F365-V411 HydrophobicContact CB-CG1 3.95Å; F365-V411 HydrophobicContact CB-CG2 3.69Å; F365-V411 HydrophobicContact CD1-CG1 3.48Å; F365-V411 VanDerWaalsContact CD1-CG1 3.48Å; F365-V411 HydrophobicContact CE1-CG1 4.31Å; F365-V411 HydrophobicContact CG-CG1 4.03Å; F365-V411 HydrophobicContact CG-CG2 4.43Å
366L95.4Very high91.8Very high2 Ų238.1 Ų38.11%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-122.8144.4-177.3-58.9177.3000111.3I288 I289 L346 I349 L360 A409 V410 V411I288-L366 HydrophobicContact CG2-CD2 4.4Å; I289-L366 CarbonylContact O-C 3.55Å; I289-L366 VanDerWaalsContact O-CA 3.32Å; I289-L366 WeakPolarHBondContact O-CA 3.39Å; L346-L366 HydrophobicContact CD2-CD1 3.84Å; I349-L366 HydrophobicContact CD1-CD2 4.45Å; I349-L366 HydrophobicContact CG2-CD1 4.12Å; I349-L366 HydrophobicContact CG2-CD2 4.11Å; L360-L366 HydrophobicContact CD1-CD1 4.35Å; L360-L366 HydrophobicContact CD1-CG 4.22Å; L366-A409 PolarHBondContact N-O 2.78Å; L366-V410 HydrophobicContact CB-CG2 4.16Å; L366-V410 CarbonylContact O-C 3.43Å; L366-V410 WeakPolarHBondContact O-CA 3.48Å; L366-V411 PolarHBondContact O-N 2.93Å
367A95.2Very high91.5Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-120.1147.216500000110.7W268 I289 I291 A412W268-A367 HydrophobicContact CE3-CB 3.98Å; W268-A367 HydrophobicContact CH2-CB 4.18Å; W268-A367 HydrophobicContact CZ3-CB 3.6Å; I289-A367 HydrophobicContact CB-CB 4.18Å; I289-A367 PolarHBondContact N-O 2.68Å; I289-A367 PolarHBondContact O-N 3.32Å; I291-A367 HydrophobicContact CD1-CB 3.84Å; I291-A367 HydrophobicContact CG1-CB 4.45Å; A367-A412 CarbonylContact C-O 3.55Å; A367-A412 VanDerWaalsContact CA-O 3.24Å; A367-A412 WeakPolarHBondContact CA-O 3.49Å; A367-A412 HydrophobicContact CB-CB 3.78Å
368L95.5Very high91.1Very high1 Ų133.3 Ų33.31%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-115.5123.7-179.2-54.2-177.7000110L285 I288 L346 L403 V410 A412 V413 I414L285-L368 HydrophobicContact CD2-CB 4.07Å; L285-L368 HydrophobicContact CD2-CD1 4.01Å; L285-L368 HydrophobicContact CD2-CG 4.45Å; I288-L368 HydrophobicContact CD1-CD2 4.41Å; I288-L368 HydrophobicContact CG1-CD2 4.19Å; I288-L368 HydrophobicContact CG2-CD2 4.14Å; L346-L368 HydrophobicContact CD2-CD2 4.03Å; L368-L403 HydrophobicContact CD1-CD2 3.7Å; L368-V410 HydrophobicContact CD1-CG1 3.75Å; L368-V410 HydrophobicContact CD1-CG2 4.29Å; L368-V410 HydrophobicContact CD2-CG2 4.48Å; L368-V410 HydrophobicContact CG-CG1 3.75Å; L368-V410 HydrophobicContact CG-CG2 4.41Å; L368-A412 PolarHBondContact N-O 3.17Å; L368-V413 HydrophobicContact CB-CG2 4.4Å; L368-V413 CarbonylContact O-C 3.51Å; L368-V413 WeakPolarHBondContact O-CA 3.48Å; L368-I414 PolarHBondContact O-N 3.28Å
369N94.4Very high90.8Very high19 Ų1937.1 Ų37.110%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-94.7109.7167.2-172.8-6.7000109.5L285 E286 E287 I289 A371 I414L285-N369 CarbonylContact C-O 3.56Å; L285-N369 WeakPolarHBondContact CA-O 3.42Å; E286-N369 PolarHBondContact N-O 2.74Å; E287-N369 HydrophobicContact CB-CB 3.87Å; E287-N369 HydrophobicContact CG-CB 4.27Å; E287-N369 PolarHBondContact N-O 2.95Å; E287-N369 PolarHBondContact O-N 2.82Å; E287-N369 WeakPolarHBondContact OE2-CB 3.33Å; E287-N369 PolarHBondContact OE2-ND2 3.05Å; I289-N369 HydrophobicContact CD1-CB 4.4Å; N369-A371 PolarHBondContact OD1-N 3.01Å; N369-I414 HydrophobicContact CB-CB 4.43Å; N369-I414 HydrophobicContact CB-CD1 4.31Å
370C93.8Very high90.7Very high1 Ų140 Ų401%0.00721%0.214CC..  trans-84.9-28.2-175.3-66.30000112.9L284 A372 Y400 I414L284-C370 HydrophobicContact CD1-CB 3.9Å; C370-A372 PolarHBondContact O-N 3.19Å; C370-Y400 HydrophobicContact CB-CE1 4.43Å; C370-Y400 WeakPolarHBondContact SG-CE1 3.36Å; C370-I414 PolarHBondContact N-O 2.97Å
371A88.2Confident90.5Very high7 Ų738.3 Ų38.36%0.05821%0.209CC..  trans43.937.3-173.500000113.5E286 N369 P373 K374E286-A371 HydrophobicContact CB-CB 3.97Å; E286-A371 WeakPolarHBondContact OE2-CB 3.48Å; N369-A371 PolarHBondContact OD1-N 3.01Å; A371-P373 VanDerWaalsContact C-N 3.28Å; A371-P373 VanDerWaalsContact O-N 3.14Å; A371-K374 HydrophobicContact CB-CD 4.14Å; A371-K374 WeakPolarHBondContact O-CB 3.43Å; A371-K374 PolarHBondContact O-N 2.84Å
372A90.6Very high90.8Very high0 Ų040.6 Ų40.60%021%0.21CC..G310 helixtrans-54.4-33.4-173.700000114.4C370 K374 L375 Y383 D415 P416C370-A372 PolarHBondContact O-N 3.19Å; A372-K374 PolarHBondContact O-N 3.34Å; A372-L375 WeakPolarHBondContact O-CB 3.23Å; A372-L375 PolarHBondContact O-N 3.1Å; A372-Y383 HydrophobicContact CB-CD1 4.07Å; A372-Y383 HydrophobicContact CB-CE1 3.75Å; A372-Y383 WeakPolarHBondContact O-CD1 3.32Å; A372-Y383 WeakPolarHBondContact O-CE1 3.38Å; A372-D415 VanDerWaalsContact CB-O 3.3Å; A372-D415 WeakPolarHBondContact CB-O 3.39Å; A372-D415 PolarHBondContact N-O 3.43Å; A372-D415 VanDerWaalsContact N-O 3.16Å; A372-P416 VanDerWaalsContact CB-C 3.42Å; A372-P416 WeakPolarHBondContact CB-O 3.29Å
373P88.7Confident91.2Very high53 Ų5337 Ų3734%0.34419%0.188SC..G310 helixtrans-54.4-27.4175.4-27.135000114.6A371 L375 R418A371-P373 VanDerWaalsContact C-N 3.28Å; A371-P373 VanDerWaalsContact O-N 3.14Å; P373-L375 VanDerWaalsContact C-N 3.3Å; P373-R418 HydrophobicContact CB-CG 4.27Å; P373-R418 HydrophobicContact CG-CG 4.48Å
374K87Confident91.6Very high117 Ų11735.9 Ų35.951%0.50918%0.183SC..G310 helixtrans-80.8-8.7178.3-58.9175.5-172.3157.20113.6E286 A371 A372E286-K374 IonicContact OE1-NZ 3.82Å; E286-K374 PolarHBondContact OE1-NZ 2.98Å; E286-K374 VanDerWaalsContact OE1-NZ 3.13Å; E286-K374 IonicContact OE2-NZ 3.56Å; E286-K374 PolarHBondContact OE2-NZ 3.31Å; A371-K374 HydrophobicContact CB-CD 4.14Å; A371-K374 WeakPolarHBondContact O-CB 3.43Å; A371-K374 PolarHBondContact O-N 2.84Å; A372-K374 PolarHBondContact O-N 3.34Å
375L91.3Very high91.7Very high8 Ų836.5 Ų36.54%0.04219%0.187CC..G310 helixtrans-104.73.1-171.4-53-177.6000113K276 C283 L284 A372 P373 Y383 E384K276-L375 HydrophobicContact CB-CD2 3.94Å; K276-L375 HydrophobicContact CD-CD2 3.81Å; C283-L375 HydrophobicContact CB-CD2 4.23Å; L284-L375 HydrophobicContact CB-CD1 4.36Å; L284-L375 HydrophobicContact CD1-CD1 4Å; A372-L375 WeakPolarHBondContact O-CB 3.23Å; A372-L375 PolarHBondContact O-N 3.1Å; P373-L375 VanDerWaalsContact C-N 3.3Å; L375-Y383 HydrophobicContact CB-CD1 4.39Å; L375-E384 PolarHBondContact O-N 3.27Å
376V90.8Very high91.6Very high20 Ų2036.8 Ų36.812%0.12119%0.194CC..EExtended strand (participates in β ladder)trans-81.7123.2-170.1177.30000110.9F211 Y378 Y383 R418F211-V376 HydrophobicContact CE1-CG1 3.39Å; F211-V376 HydrophobicContact CZ-CG1 3.69Å; V376-Y378 HydrophobicContact CB-CD2 4.5Å; V376-Y378 HydrophobicContact CB-CE2 4.07Å; V376-Y378 HydrophobicContact CG1-CD1 4.03Å; V376-Y378 HydrophobicContact CG1-CD2 3.98Å; V376-Y378 HydrophobicContact CG1-CE1 3.92Å; V376-Y378 HydrophobicContact CG1-CE2 3.85Å; V376-Y378 HydrophobicContact CG1-CG 4.06Å; V376-Y383 HydrophobicContact CG2-CD1 3.74Å; V376-Y383 HydrophobicContact CG2-CE1 3.33Å; V376-R418 HydrophobicContact CG2-CG 3.83Å
377D90.4Very high91.3Very high41 Ų4140.9 Ų40.922%0.21922%0.219CC..EExtended strand (participates in β ladder)trans-90.696.7163.3-175.8-20000108.6S379 K380 G381 K382 L390D377-S379 PolarHBondContact O-N 2.75Å; D377-S379 WeakPolarHBondContact OD1-CB 3.45Å; D377-S379 PolarHBondContact OD1-N 2.91Å; D377-S379 PolarHBondContact OD1-OG 2.77Å; D377-K380 CarbonylContact O-C 3.33Å; D377-K380 PolarHBondContact O-N 2.88Å; D377-K380 VanDerWaalsContact O-N 3.13Å; D377-K380 PolarHBondContact OD1-N 3.14Å; D377-K380 WeakPolarHBondContact OD2-CD 3.47Å; D377-K380 WeakPolarHBondContact OD2-CE 3.36Å; D377-K380 IonicContact OD2-NZ 2.8Å; D377-K380 PolarHBondContact OD2-NZ 2.81Å; D377-G381 PolarHBondContact O-N 3.1Å; D377-K382 PolarHBondContact N-O 3.15Å; D377-K382 PolarHBondContact O-N 3.45Å; D377-L390 HydrophobicContact CB-CD2 4.18Å
378Y87.3Confident90.9Very high102 Ų10244 Ų4440%0.425%0.251SS..THydrogen-bonded Turntrans-62.3-26.9-178.9-70-85.6000113.5F211 P214 V376 K380F211-Y378 HydrophobicContact CD1-CD1 4.22Å; F211-Y378 HydrophobicContact CE1-CD1 4.08Å; F211-Y378 HydrophobicContact CE1-CE1 4.28Å; P214-Y378 HydrophobicContact CB-CD1 4.36Å; P214-Y378 HydrophobicContact CB-CE1 3.61Å; P214-Y378 HydrophobicContact CB-CE2 4.45Å; P214-Y378 HydrophobicContact CG-CD1 4.2Å; P214-Y378 HydrophobicContact CG-CE1 3.95Å; V376-Y378 HydrophobicContact CB-CD2 4.5Å; V376-Y378 HydrophobicContact CB-CE2 4.07Å; V376-Y378 HydrophobicContact CG1-CD1 4.03Å; V376-Y378 HydrophobicContact CG1-CD2 3.98Å; V376-Y378 HydrophobicContact CG1-CE1 3.92Å; V376-Y378 HydrophobicContact CG1-CE2 3.85Å; V376-Y378 HydrophobicContact CG1-CG 4.06Å; Y378-K380 PolarHBondContact O-N 3.35Å
379S87.6Confident90.7Very high103 Ų10345.3 Ų45.372%0.7226%0.264SS*.THydrogen-bonded Turntrans-69.8-27.1178.473.70000112.1D377D377-S379 PolarHBondContact O-N 2.75Å; D377-S379 WeakPolarHBondContact OD1-CB 3.45Å; D377-S379 PolarHBondContact OD1-N 2.91Å; D377-S379 PolarHBondContact OD1-OG 2.77Å
380K88.6Confident90.7Very high121 Ų12146.4 Ų46.453%0.52627%0.27SS..THydrogen-bonded Turntrans-110.8-9.8-178.2-63.3176.6-165.1127.20113.6D377 Y378 K382 L390D377-K380 CarbonylContact O-C 3.33Å; D377-K380 PolarHBondContact O-N 2.88Å; D377-K380 VanDerWaalsContact O-N 3.13Å; D377-K380 PolarHBondContact OD1-N 3.14Å; D377-K380 WeakPolarHBondContact OD2-CD 3.47Å; D377-K380 WeakPolarHBondContact OD2-CE 3.36Å; D377-K380 IonicContact OD2-NZ 2.8Å; D377-K380 PolarHBondContact OD2-NZ 2.81Å; Y378-K380 PolarHBondContact O-N 3.35Å; K380-K382 VanDerWaalsContact C-N 3.27Å; K380-K382 HydrophobicContact CB-CB 4.41Å; K380-K382 HydrophobicContact CB-CG 4.44Å; K380-K382 PolarHBondContact O-N 3.43Å; K380-L390 HydrophobicContact CD-CD1 3.37Å
381G90Very high90.8Very high14 Ų1450 Ų5014%0.14429%0.286CS..THydrogen-bonded Turntrans59.637-173.700000112.9D377D377-G381 PolarHBondContact O-N 3.1Å
382K94.1Very high91.2Very high76 Ų7651.1 Ų51.133%0.3329%0.293SS..EExtended strand (participates in β ladder)trans-131.1158.2-175.1-69.7-171-177.2-1670111.7D377 K380 L390 K391D377-K382 PolarHBondContact N-O 3.15Å; D377-K382 PolarHBondContact O-N 3.45Å; K380-K382 VanDerWaalsContact C-N 3.27Å; K380-K382 HydrophobicContact CB-CB 4.41Å; K380-K382 HydrophobicContact CB-CG 4.44Å; K380-K382 PolarHBondContact O-N 3.43Å; K382-L390 HydrophobicContact CB-CB 4.05Å; K382-L390 HydrophobicContact CB-CD2 4.3Å; K382-L390 HydrophobicContact CD-CB 3.95Å; K382-K391 CarbonylContact C-O 3.6Å; K382-K391 WeakPolarHBondContact CA-O 3.23Å; K382-K391 WeakPolarHBondContact CB-O 3.5Å
383Y94.5Very high91.4Very high1 Ų151.9 Ų51.90%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-98.6131.5175.6-69.5-92.4000110.8A372 L375 V376 V385 L390 K391 P393 L396 F417 R418 E421A372-Y383 HydrophobicContact CB-CD1 4.07Å; A372-Y383 HydrophobicContact CB-CE1 3.75Å; A372-Y383 WeakPolarHBondContact O-CD1 3.32Å; A372-Y383 WeakPolarHBondContact O-CE1 3.38Å; L375-Y383 HydrophobicContact CB-CD1 4.39Å; V376-Y383 HydrophobicContact CG2-CD1 3.74Å; V376-Y383 HydrophobicContact CG2-CE1 3.33Å; Y383-V385 PolarHBondContact O-N 3.25Å; Y383-L390 CarbonylContact O-C 3.6Å; Y383-L390 WeakPolarHBondContact O-CA 3.35Å; Y383-K391 PolarHBondContact N-O 2.99Å; Y383-K391 PolarHBondContact O-N 3.47Å; Y383-P393 HydrophobicContact CE2-CB 4.4Å; Y383-P393 HydrophobicContact CE2-CG 4.1Å; Y383-L396 HydrophobicContact CD1-CD2 4.05Å; Y383-L396 HydrophobicContact CD2-CD2 3.77Å; Y383-L396 HydrophobicContact CE1-CD2 4.49Å; Y383-L396 HydrophobicContact CE2-CD2 4.27Å; Y383-L396 HydrophobicContact CG-CD2 3.64Å; Y383-F417 HydrophobicContact CE2-CD1 4.16Å; Y383-R418 WeakPolarHBondContact OH-CG 3.44Å; Y383-R418 PolarHBondContact OH-N 3.46Å; Y383-R418 VanDerWaalsContact OH-N 3.1Å; Y383-E421 PolarHBondContact OH-OE2 3.1Å
384E94.6Very high91.7Very high46 Ų4653.1 Ų53.122%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-80.897.9171.4-169.3173.4-150.900109.7K276 C283 L375 A386 G388 L390K276-E384 IonicContact NZ-OE2 3.76Å; C283-E384 HydrophobicContact CB-CG 4.36Å; C283-E384 WeakPolarHBondContact CB-O 3.24Å; L375-E384 PolarHBondContact O-N 3.27Å; E384-A386 VanDerWaalsContact CG-O 3.24Å; E384-A386 WeakPolarHBondContact CG-O 3.21Å; E384-G388 PolarHBondContact OE1-N 3.25Å; E384-G388 VanDerWaalsContact OE1-N 3.13Å; E384-L390 HydrophobicContact CB-CD2 3.94Å; E384-L390 HydrophobicContact CG-CD2 4.45Å
385V92.6Very high92.2Very high14 Ų1451.5 Ų51.59%0.08530%0.296CS..EExtended strand (participates in β ladder)trans-82.6-33.8-179.3173.30000111.3C283 L284 Y383 G389 K391 L396C283-V385 PolarHBondContact N-O 3.29Å; L284-V385 HydrophobicContact CB-CB 4.48Å; L284-V385 HydrophobicContact CB-CG1 3.93Å; L284-V385 HydrophobicContact CD2-CG1 3.89Å; L284-V385 PolarHBondContact N-O 2.83Å; Y383-V385 PolarHBondContact O-N 3.25Å; V385-G389 PolarHBondContact N-O 3.47Å; V385-K391 HydrophobicContact CB-CG 4.24Å; V385-K391 HydrophobicContact CG2-CB 3.96Å; V385-K391 HydrophobicContact CG2-CG 3.7Å; V385-L396 HydrophobicContact CG2-CD1 3.76Å
386A92.2Very high92.4Very high27 Ų2751.1 Ų51.122%0.22329%0.294CS..EExtended strand (participates in β ladder)trans-141163.616900000108.6K281 E384 G388 G389K281-A386 CarbonylContact O-C 3.18Å; K281-A386 WeakPolarHBondContact O-CA 3.21Å; K281-A386 VanDerWaalsContact O-CB 3.29Å; K281-A386 WeakPolarHBondContact O-CB 3.27Å; E384-A386 VanDerWaalsContact CG-O 3.24Å; E384-A386 WeakPolarHBondContact CG-O 3.21Å; A386-G388 PolarHBondContact O-N 2.95Å; A386-G389 VanDerWaalsContact O-CA 3.32Å; A386-G389 WeakPolarHBondContact O-CA 3.48Å; A386-G389 PolarHBondContact O-N 3.47Å
387T90.3Very high92.6Very high88 Ų8850.3 Ų50.354%0.5429%0.288SS..THydrogen-bonded Turntrans-51.9113.3-179.9-52.10000111K281 G389K281-T387 PolarHBondContact O-N 3.18Å; K281-T387 PolarHBondContact O-OG1 3.04Å; T387-G389 PolarHBondContact O-N 3.44Å
388G86.1Confident92.9Very high65 Ų6551.9 Ų51.967%0.6730%0.295SS*.THydrogen-bonded Turntrans73.2-7-174.800000115.9E384 A386 L390E384-G388 PolarHBondContact OE1-N 3.25Å; E384-G388 VanDerWaalsContact OE1-N 3.13Å; A386-G388 PolarHBondContact O-N 2.95Å; G388-L390 PolarHBondContact O-N 3.49Å
389G92.4Very high93.3Very high28 Ų2848.5 Ų48.529%0.28928%0.284SS..EExtended strand (participates in β ladder)trans-85.378.8173.900000111.9V385 A386 T387V385-G389 PolarHBondContact N-O 3.47Å; A386-G389 VanDerWaalsContact O-CA 3.32Å; A386-G389 WeakPolarHBondContact O-CA 3.48Å; A386-G389 PolarHBondContact O-N 3.47Å; T387-G389 PolarHBondContact O-N 3.44Å
390L94.4Very high93.7Very high42 Ų4243.6 Ų43.622%0.2225%0.25CS..EExtended strand (participates in β ladder)trans-82.1134.3177.5-66.7171.8000112D377 K380 K382 Y383 E384 G388D377-L390 HydrophobicContact CB-CD2 4.18Å; K380-L390 HydrophobicContact CD-CD1 3.37Å; K382-L390 HydrophobicContact CB-CB 4.05Å; K382-L390 HydrophobicContact CB-CD2 4.3Å; K382-L390 HydrophobicContact CD-CB 3.95Å; Y383-L390 CarbonylContact O-C 3.6Å; Y383-L390 WeakPolarHBondContact O-CA 3.35Å; E384-L390 HydrophobicContact CB-CD2 3.94Å; E384-L390 HydrophobicContact CG-CD2 4.45Å; G388-L390 PolarHBondContact O-N 3.49Å
391K95.8Very high94.1Very high78 Ų7839.7 Ų39.734%0.33924%0.235SC..EExtended strand (participates in β ladder)trans-123.6137.3176.7-64-61.4-174.4175.30111K382 Y383 V385 E395 L396K382-K391 CarbonylContact C-O 3.6Å; K382-K391 WeakPolarHBondContact CA-O 3.23Å; K382-K391 WeakPolarHBondContact CB-O 3.5Å; Y383-K391 PolarHBondContact N-O 2.99Å; Y383-K391 PolarHBondContact O-N 3.47Å; V385-K391 HydrophobicContact CB-CG 4.24Å; V385-K391 HydrophobicContact CG2-CB 3.96Å; V385-K391 HydrophobicContact CG2-CG 3.7Å; K391-E395 WeakPolarHBondContact CA-OE2 3.42Å; K391-E395 HydrophobicContact CB-CB 4.12Å; K391-E395 HydrophobicContact CD-CB 4.05Å; K391-L396 HydrophobicContact CB-CB 4.5Å
392S95.8Very high94.3Very high30 Ų3044 Ų4421%0.2126%0.255CS..  trans-65.8162.4167.877.40000110.5D394 E395 L396S392-D394 VanDerWaalsContact C-N 3.27Å; S392-D394 PolarHBondContact O-N 2.95Å; S392-E395 PolarHBondContact N-OE2 2.97Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E395 VanDerWaalsContact O-N 3.16Å; S392-E395 WeakPolarHBondContact OG-CG 3.32Å; S392-E395 PolarHBondContact OG-N 3.32Å; S392-E395 VanDerWaalsContact OG-N 3.14Å; S392-L396 WeakPolarHBondContact O-CB 3.48Å; S392-L396 PolarHBondContact O-N 2.75Å
393P94.9Very high94.4Very high15 Ų1540.7 Ų40.710%0.09724%0.241CC..Hα-helixtrans-55.2-41.6175.4-24.432.7000113F211 Y383 L396 I397 E421 Q424F211-P393 HydrophobicContact CE2-CG 4.15Å; Y383-P393 HydrophobicContact CE2-CB 4.4Å; Y383-P393 HydrophobicContact CE2-CG 4.1Å; P393-L396 PolarHBondContact O-N 3.19Å; P393-I397 PolarHBondContact O-N 3.46Å; P393-I397 VanDerWaalsContact O-N 3.14Å; P393-E421 VanDerWaalsContact CG-OE1 3.26Å; P393-E421 WeakPolarHBondContact CG-OE1 3.35Å; P393-Q424 HydrophobicContact CB-CG 3.85Å
394D95.1Very high94.4Very high80 Ų8041 Ų4143%0.42824%0.242SC..Hα-helixtrans-68.9-37.2177.6-64.4-58.7000112.2S392 L396 I397 E398 Q424 K427S392-D394 VanDerWaalsContact C-N 3.27Å; S392-D394 PolarHBondContact O-N 2.95Å; D394-L396 VanDerWaalsContact C-N 3.3Å; D394-L396 PolarHBondContact O-N 2.84Å; D394-I397 WeakPolarHBondContact O-CB 3.42Å; D394-I397 PolarHBondContact O-N 2.95Å; D394-E398 PolarHBondContact O-N 3.34Å; D394-Q424 PolarHBondContact OD1-OE1 2.98Å; D394-K427 IonicContact OD1-NZ 3.86Å; D394-K427 PolarHBondContact OD1-NZ 3.28Å
395E96.5Very high94.4Very high83 Ų8342.8 Ų42.839%0.38826%0.26SS..Hα-helixtrans-66.7-33.8173.8-70.2174.3139.800111.9K391 S392 I397 E398 V399K391-E395 WeakPolarHBondContact CA-OE2 3.42Å; K391-E395 HydrophobicContact CB-CB 4.12Å; K391-E395 HydrophobicContact CD-CB 4.05Å; S392-E395 PolarHBondContact N-OE2 2.97Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E395 VanDerWaalsContact O-N 3.16Å; S392-E395 WeakPolarHBondContact OG-CG 3.32Å; S392-E395 PolarHBondContact OG-N 3.32Å; S392-E395 VanDerWaalsContact OG-N 3.14Å; E395-I397 VanDerWaalsContact C-N 3.33Å; E395-E398 PolarHBondContact O-N 3.04Å; E395-V399 WeakPolarHBondContact O-CG2 3.24Å; E395-V399 PolarHBondContact O-N 3.35Å; E395-V399 VanDerWaalsContact O-N 3.11Å
396L95.8Very high94.5Very high0 Ų047.2 Ų47.20%028%0.278CS..Hα-helixtrans-68.5-32.8177.8-178.157.9000111.6L284 Y383 V385 K391 S392 P393 D394 E398 V399 Y400 F417L284-L396 HydrophobicContact CD2-CD1 4.19Å; Y383-L396 HydrophobicContact CD1-CD2 4.05Å; Y383-L396 HydrophobicContact CD2-CD2 3.77Å; Y383-L396 HydrophobicContact CE1-CD2 4.49Å; Y383-L396 HydrophobicContact CE2-CD2 4.27Å; Y383-L396 HydrophobicContact CG-CD2 3.64Å; V385-L396 HydrophobicContact CG2-CD1 3.76Å; K391-L396 HydrophobicContact CB-CB 4.5Å; S392-L396 WeakPolarHBondContact O-CB 3.48Å; S392-L396 PolarHBondContact O-N 2.75Å; P393-L396 PolarHBondContact O-N 3.19Å; D394-L396 VanDerWaalsContact C-N 3.3Å; D394-L396 PolarHBondContact O-N 2.84Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.5Å; L396-V399 HydrophobicContact CD1-CB 4.3Å; L396-V399 WeakPolarHBondContact O-CB 3.21Å; L396-V399 PolarHBondContact O-N 2.88Å; L396-Y400 HydrophobicContact CD1-CD2 4.4Å; L396-Y400 HydrophobicContact CD1-CE1 4.24Å; L396-Y400 HydrophobicContact CD1-CE2 3.85Å; L396-Y400 HydrophobicContact CD2-CE2 3.98Å; L396-Y400 HydrophobicContact CG-CD2 4.1Å; L396-Y400 HydrophobicContact CG-CE2 3.48Å; L396-Y400 VanDerWaalsContact CG-CE2 3.48Å; L396-Y400 VanDerWaalsContact O-CD2 3.22Å; L396-Y400 WeakPolarHBondContact O-CD2 3.49Å; L396-Y400 PolarHBondContact O-N 3.39Å; L396-F417 HydrophobicContact CB-CE1 4.07Å; L396-F417 HydrophobicContact CD2-CD1 4.07Å; L396-F417 HydrophobicContact CD2-CE1 3.68Å; L396-F417 HydrophobicContact CG-CE1 3.9Å; L396-F417 HydrophobicContact CG-CZ 4.37Å
397I96.6Very high94.7Very high2 Ų246.8 Ų46.81%0.0127%0.271CS..Hα-helixtrans-57.3-45.6169.2-67.6174.8000110.9P393 D394 E395 V399 Y400 N401 F417 Q424 K427 L428P393-I397 PolarHBondContact O-N 3.46Å; P393-I397 VanDerWaalsContact O-N 3.14Å; D394-I397 WeakPolarHBondContact O-CB 3.42Å; D394-I397 PolarHBondContact O-N 2.95Å; E395-I397 VanDerWaalsContact C-N 3.33Å; I397-V399 VanDerWaalsContact C-N 3.31Å; I397-V399 PolarHBondContact O-N 3Å; I397-Y400 PolarHBondContact O-N 3.4Å; I397-N401 WeakPolarHBondContact O-CB 3.15Å; I397-N401 PolarHBondContact O-N 3.37Å; I397-F417 HydrophobicContact CD1-CZ 4.44Å; I397-F417 HydrophobicContact CG1-CE1 4.44Å; I397-F417 HydrophobicContact CG1-CE2 4.17Å; I397-F417 HydrophobicContact CG1-CZ 3.54Å; I397-Q424 VanDerWaalsContact CD1-OE1 3.24Å; I397-K427 HydrophobicContact CD1-CB 3.64Å; I397-K427 HydrophobicContact CD1-CD 4.04Å; I397-L428 HydrophobicContact CG1-CB 4.45Å; I397-L428 HydrophobicContact CG2-CD1 4.23Å
398E96.4Very high94.7Very high74 Ų7447.5 Ų47.535%0.34628%0.277SS..Hα-helixtrans-65.1-36.5178.3-60.1-58155.700111.9D394 E395 L396 N401 N402 R431D394-E398 PolarHBondContact O-N 3.34Å; E395-E398 PolarHBondContact O-N 3.04Å; L396-E398 VanDerWaalsContact C-N 3.32Å; L396-E398 PolarHBondContact O-N 3.5Å; E398-N401 PolarHBondContact O-N 3.45Å; E398-N402 WeakPolarHBondContact O-CB 3.41Å; E398-N402 PolarHBondContact O-N 3.46Å; E398-N402 PolarHBondContact O-ND2 2.94Å; E398-R431 VanDerWaalsContact CD-NH1 3.28Å; E398-R431 IonicContact OE1-CZ 3.5Å; E398-R431 IonicContact OE1-NH1 2.77Å; E398-R431 PolarHBondContact OE1-NH1 3.29Å; E398-R431 IonicContact OE1-NH2 2.79Å; E398-R431 PolarHBondContact OE1-NH2 2.9Å; E398-R431 IonicContact OE2-NH1 3.8Å; E398-R431 PolarHBondContact OE2-NH1 2.94Å
399V95.6Very high95Very high31 Ų3144.8 Ų44.819%0.18825%0.248CC..Hα-helixtrans-59.4-49.2173.7172.80000110.5L284 E395 L396 I397 L403L284-V399 HydrophobicContact CD2-CG1 4.21Å; E395-V399 WeakPolarHBondContact O-CG2 3.24Å; E395-V399 PolarHBondContact O-N 3.35Å; E395-V399 VanDerWaalsContact O-N 3.11Å; L396-V399 HydrophobicContact CD1-CB 4.3Å; L396-V399 WeakPolarHBondContact O-CB 3.21Å; L396-V399 PolarHBondContact O-N 2.88Å; I397-V399 VanDerWaalsContact C-N 3.31Å; I397-V399 PolarHBondContact O-N 3Å; V399-L403 WeakPolarHBondContact O-CB 3.44Å; V399-L403 PolarHBondContact O-N 3.17Å
400Y96.5Very high95Very high1 Ų143.5 Ų43.50%0.00424%0.235CC..Hα-helixtrans-64.4-44.5178-65.5-47.8000112.5L284 C370 L396 I397 N402 L403 I404 P416 F417 L428L284-Y400 HydrophobicContact CD1-CE1 4.13Å; L284-Y400 WeakPolarHBondContact CD1-OH 3.28Å; L284-Y400 HydrophobicContact CD2-CE1 3.92Å; L284-Y400 HydrophobicContact CG-CE1 4.48Å; C370-Y400 HydrophobicContact CB-CE1 4.43Å; C370-Y400 WeakPolarHBondContact SG-CE1 3.36Å; L396-Y400 HydrophobicContact CD1-CD2 4.4Å; L396-Y400 HydrophobicContact CD1-CE1 4.24Å; L396-Y400 HydrophobicContact CD1-CE2 3.85Å; L396-Y400 HydrophobicContact CD2-CE2 3.98Å; L396-Y400 HydrophobicContact CG-CD2 4.1Å; L396-Y400 HydrophobicContact CG-CE2 3.48Å; L396-Y400 VanDerWaalsContact CG-CE2 3.48Å; L396-Y400 VanDerWaalsContact O-CD2 3.22Å; L396-Y400 WeakPolarHBondContact O-CD2 3.49Å; L396-Y400 PolarHBondContact O-N 3.39Å; I397-Y400 PolarHBondContact O-N 3.4Å; Y400-N402 VanDerWaalsContact C-N 3.35Å; Y400-N402 PolarHBondContact O-N 2.99Å; Y400-L403 PolarHBondContact O-N 3.45Å; Y400-I404 WeakPolarHBondContact O-CD1 3.16Å; Y400-I404 WeakPolarHBondContact O-CG1 3.25Å; Y400-I404 PolarHBondContact O-N 2.91Å; Y400-P416 HydrophobicContact CD2-CB 4.2Å; Y400-P416 HydrophobicContact CE2-CB 3.53Å; Y400-P416 WeakPolarHBondContact CE2-O 3.49Å; Y400-P416 WeakPolarHBondContact OH-CA 3.38Å; Y400-P416 PolarHBondContact OH-O 2.97Å; Y400-F417 HydrophobicContact CD2-CE2 4.42Å; Y400-F417 HydrophobicContact CD2-CZ 4.09Å; Y400-F417 HydrophobicContact CE2-CE1 4.28Å; Y400-F417 HydrophobicContact CE2-CE2 4.19Å; Y400-F417 AromaticContact CE2-CZ 3.85Å; Y400-F417 HydrophobicContact CE2-CZ 3.85Å; Y400-L428 HydrophobicContact CD2-CD1 4.24Å; Y400-L428 HydrophobicContact CD2-CD2 3.81Å; Y400-L428 HydrophobicContact CE2-CD2 4.36Å; Y400-L428 HydrophobicContact CG-CD2 4.44Å
401N95.4Very high94.9Very high39 Ų3941.7 Ų41.721%0.20923%0.226CC..Hα-helixtrans-59-45.7179.2-17764.3000112I397 E398 S405 I432I397-N401 WeakPolarHBondContact O-CB 3.15Å; I397-N401 PolarHBondContact O-N 3.37Å; E398-N401 PolarHBondContact O-N 3.45Å; N401-S405 VanDerWaalsContact O-CB 3.26Å; N401-S405 WeakPolarHBondContact O-CB 3.28Å; N401-S405 PolarHBondContact O-N 3.46Å; N401-S405 PolarHBondContact O-OG 2.73Å; N401-I432 HydrophobicContact CB-CG2 4.48Å
402N95.3Very high94.8Very high103 Ų10338 Ų3855%0.55121%0.209SC*.Hα-helixtrans-65-40.9177.5-70.5-29.4000111.9E398 Y400 K406E398-N402 WeakPolarHBondContact O-CB 3.41Å; E398-N402 PolarHBondContact O-N 3.46Å; E398-N402 PolarHBondContact O-ND2 2.94Å; Y400-N402 VanDerWaalsContact C-N 3.35Å; Y400-N402 PolarHBondContact O-N 2.99Å; N402-K406 WeakPolarHBondContact O-CB 3.21Å; N402-K406 PolarHBondContact O-N 3.29Å; N402-K406 VanDerWaalsContact O-N 3.1Å
403L95.4Very high94.7Very high7 Ų736.6 Ų36.64%0.03720%0.199CC..Hα-helixtrans-63.1-50.7178.7-164.669.6000110.8L285 P342 L346 L368 V399 Y400 S405 K406 Y407L285-L403 HydrophobicContact CD1-CD2 4.29Å; L285-L403 HydrophobicContact CD2-CD2 4.47Å; P342-L403 HydrophobicContact CB-CD1 4.19Å; P342-L403 HydrophobicContact CB-CD2 4.44Å; L346-L403 HydrophobicContact CD1-CD1 3.71Å; L346-L403 HydrophobicContact CD1-CD2 4.18Å; L346-L403 HydrophobicContact CD1-CG 3.86Å; L368-L403 HydrophobicContact CD1-CD2 3.7Å; V399-L403 WeakPolarHBondContact O-CB 3.44Å; V399-L403 PolarHBondContact O-N 3.17Å; Y400-L403 PolarHBondContact O-N 3.45Å; L403-S405 PolarHBondContact O-N 2.99Å; L403-K406 PolarHBondContact O-N 2.97Å; L403-Y407 HydrophobicContact CD1-CD2 4.01Å; L403-Y407 HydrophobicContact CD1-CE2 3.93Å; L403-Y407 HydrophobicContact CG-CD2 4.35Å; L403-Y407 VanDerWaalsContact O-CD2 3.24Å; L403-Y407 WeakPolarHBondContact O-CD2 3.42Å; L403-Y407 PolarHBondContact O-N 3.23Å
404I94.8Very high94.7Very high8 Ų836 Ų364%0.04120%0.196CC..Hα-helixtrans-67.5-38.7-177.6-65.8162.1000111.2Y400 K406 Y407 V410 V413 I432 C436Y400-I404 WeakPolarHBondContact O-CD1 3.16Å; Y400-I404 WeakPolarHBondContact O-CG1 3.25Å; Y400-I404 PolarHBondContact O-N 2.91Å; I404-K406 VanDerWaalsContact C-N 3.27Å; I404-K406 PolarHBondContact O-N 3.37Å; I404-Y407 CarbonylContact O-C 3.51Å; I404-Y407 PolarHBondContact O-N 3.1Å; I404-V410 HydrophobicContact CG1-CG1 4.36Å; I404-V413 HydrophobicContact CD1-CG2 4.11Å; I404-I432 HydrophobicContact CD1-CB 4.21Å; I404-I432 HydrophobicContact CD1-CD1 3.25Å; I404-I432 HydrophobicContact CD1-CG1 4.3Å; I404-I432 HydrophobicContact CD1-CG2 4.08Å; I404-C436 HydrophobicContact CD1-CB 4.11Å; I404-C436 HydrophobicContact CG2-CB 3.95Å
405S93.9Very high94.6Very high84 Ų8433.3 Ų33.359%0.58718%0.181SC*.Hα-helixtrans-63-35.2176.1-60.10000112.4N401 L403N401-S405 VanDerWaalsContact O-CB 3.26Å; N401-S405 WeakPolarHBondContact O-CB 3.28Å; N401-S405 PolarHBondContact O-N 3.46Å; N401-S405 PolarHBondContact O-OG 2.73Å; L403-S405 PolarHBondContact O-N 2.99Å
406K95.7Very high94.5Very high107 Ų10729.4 Ų29.447%0.46516%0.163SC..Hα-helixtrans-77.8-31.2178-175.1177.8167.9-160.20112.6D343 N402 L403 I404 P408D343-K406 IonicContact OD1-NZ 2.76Å; D343-K406 PolarHBondContact OD1-NZ 3.03Å; N402-K406 WeakPolarHBondContact O-CB 3.21Å; N402-K406 PolarHBondContact O-N 3.29Å; N402-K406 VanDerWaalsContact O-N 3.1Å; L403-K406 PolarHBondContact O-N 2.97Å; I404-K406 VanDerWaalsContact C-N 3.27Å; I404-K406 PolarHBondContact O-N 3.37Å; K406-P408 WeakPolarHBondContact O-CD 3.36Å
407Y95.2Very high94.4Very high17 Ų1729.4 Ų29.47%0.06716%0.163CC..  trans-12376.5-178.3-56.3-80.7000110.7D343 L346 D347 L403 I404 A409 V410D343-Y407 HydrophobicContact CB-CE2 4.48Å; D343-Y407 WeakPolarHBondContact CB-OH 3.22Å; D343-Y407 PolarHBondContact O-OH 3.47Å; L346-Y407 HydrophobicContact CB-CD1 3.77Å; L346-Y407 HydrophobicContact CB-CD2 4.07Å; L346-Y407 HydrophobicContact CB-CE1 3.59Å; L346-Y407 HydrophobicContact CB-CE2 3.93Å; L346-Y407 HydrophobicContact CB-CG 4.01Å; L346-Y407 HydrophobicContact CD1-CD1 4.35Å; L346-Y407 HydrophobicContact CD1-CD2 3.33Å; L346-Y407 HydrophobicContact CD1-CE2 3.71Å; L346-Y407 HydrophobicContact CD1-CG 3.71Å; L346-Y407 HydrophobicContact CG-CD2 4.33Å; L346-Y407 HydrophobicContact CG-CE2 4.47Å; L346-Y407 HydrophobicContact CG-CG 4.43Å; D347-Y407 PolarHBondContact OD1-OH 2.85Å; L403-Y407 HydrophobicContact CD1-CD2 4.01Å; L403-Y407 HydrophobicContact CD1-CE2 3.93Å; L403-Y407 HydrophobicContact CG-CD2 4.35Å; L403-Y407 VanDerWaalsContact O-CD2 3.24Å; L403-Y407 WeakPolarHBondContact O-CD2 3.42Å; L403-Y407 PolarHBondContact O-N 3.23Å; I404-Y407 CarbonylContact O-C 3.51Å; I404-Y407 PolarHBondContact O-N 3.1Å; Y407-A409 PolarHBondContact O-N 2.92Å; Y407-V410 WeakPolarHBondContact O-CB 3.26Å; Y407-V410 WeakPolarHBondContact O-CG2 3.39Å; Y407-V410 PolarHBondContact O-N 3.17Å
408P91.2Very high94.1Very high104 Ų10429.4 Ų29.468%0.67516%0.163SC*.THydrogen-bonded Turntrans-64.8-13.1-175.626.3-35.8000114K406 V410K406-P408 WeakPolarHBondContact O-CD 3.36Å; P408-V410 PolarHBondContact O-N 2.96Å
409A91.6Very high93.6Very high8 Ų827.5 Ų27.57%0.06615%0.152CC..THydrogen-bonded Turntrans-72.8-10.2171.500000113.5L360 F365 L366 Y407 V411L360-A409 HydrophobicContact CD1-CB 3.86Å; L360-A409 HydrophobicContact CD2-CB 4.1Å; L360-A409 HydrophobicContact CG-CB 3.5Å; F365-A409 CarbonylContact C-O 3.42Å; F365-A409 WeakPolarHBondContact CA-O 3.41Å; L366-A409 PolarHBondContact N-O 2.78Å; Y407-A409 PolarHBondContact O-N 2.92Å; A409-V411 PolarHBondContact O-N 3.28Å
410V93.8Very high93.2Very high1 Ų129.1 Ų29.11%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-77.1107.8170.3177.70000108.7L346 L366 L368 I404 Y407 P408 V413L346-V410 HydrophobicContact CD1-CG2 4.4Å; L346-V410 HydrophobicContact CD2-CG2 4.31Å; L366-V410 HydrophobicContact CB-CG2 4.16Å; L366-V410 CarbonylContact O-C 3.43Å; L366-V410 WeakPolarHBondContact O-CA 3.48Å; L368-V410 HydrophobicContact CD1-CG1 3.75Å; L368-V410 HydrophobicContact CD1-CG2 4.29Å; L368-V410 HydrophobicContact CD2-CG2 4.48Å; L368-V410 HydrophobicContact CG-CG1 3.75Å; L368-V410 HydrophobicContact CG-CG2 4.41Å; I404-V410 HydrophobicContact CG1-CG1 4.36Å; Y407-V410 WeakPolarHBondContact O-CB 3.26Å; Y407-V410 WeakPolarHBondContact O-CG2 3.39Å; Y407-V410 PolarHBondContact O-N 3.17Å; P408-V410 PolarHBondContact O-N 2.96Å; V410-V413 HydrophobicContact CG1-CG2 4.45Å
411V92.1Very high92.9Very high4 Ų429.8 Ų29.82%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-106.7-10.1-173.6-62.70000113.3I291 F365 L366 A409 C436 S437 L555I291-V411 HydrophobicContact CD1-CG2 3.95Å; F365-V411 HydrophobicContact CB-CB 4.49Å; F365-V411 HydrophobicContact CB-CG1 3.95Å; F365-V411 HydrophobicContact CB-CG2 3.69Å; F365-V411 HydrophobicContact CD1-CG1 3.48Å; F365-V411 VanDerWaalsContact CD1-CG1 3.48Å; F365-V411 HydrophobicContact CE1-CG1 4.31Å; F365-V411 HydrophobicContact CG-CG1 4.03Å; F365-V411 HydrophobicContact CG-CG2 4.43Å; L366-V411 PolarHBondContact O-N 2.93Å; A409-V411 PolarHBondContact O-N 3.28Å; V411-C436 VanDerWaalsContact C-SG 3.56Å; V411-S437 PolarHBondContact O-N 3.13Å; V411-L555 HydrophobicContact CB-CD1 3.47Å; V411-L555 VanDerWaalsContact CB-CD1 3.47Å; V411-L555 HydrophobicContact CG1-CD1 3.51Å
412A93.2Very high92.7Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-148.3141.3-178.900000113.1W268 A367 L368 C436 S437 L439 L551W268-A412 HydrophobicContact CH2-CB 3.87Å; W268-A412 HydrophobicContact CZ3-CB 4.44Å; A367-A412 CarbonylContact C-O 3.55Å; A367-A412 VanDerWaalsContact CA-O 3.24Å; A367-A412 WeakPolarHBondContact CA-O 3.49Å; A367-A412 HydrophobicContact CB-CB 3.78Å; L368-A412 PolarHBondContact N-O 3.17Å; A412-C436 PolarHBondContact N-SG 2.68Å; A412-S437 CarbonylContact C-O 3.47Å; A412-S437 VanDerWaalsContact CA-O 3.3Å; A412-S437 WeakPolarHBondContact CA-O 3.42Å; A412-L439 HydrophobicContact CB-CD1 3.76Å; A412-L551 HydrophobicContact CB-CD2 3.76Å
413V94.4Very high92.6Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-127.8124.3172.7176.70000109.5L368 I404 V410 P416 S437 L438 L439L368-V413 HydrophobicContact CB-CG2 4.4Å; L368-V413 CarbonylContact O-C 3.51Å; L368-V413 WeakPolarHBondContact O-CA 3.48Å; I404-V413 HydrophobicContact CD1-CG2 4.11Å; V410-V413 HydrophobicContact CG1-CG2 4.45Å; V413-P416 HydrophobicContact CG1-CB 3.89Å; V413-P416 HydrophobicContact CG1-CG 4.29Å; V413-S437 PolarHBondContact N-O 3.41Å; V413-L438 HydrophobicContact CB-CD2 4.03Å; V413-L439 PolarHBondContact O-N 2.71Å
414I93.9Very high92.5Very high4 Ų430.5 Ų30.52%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-100.5130.8178.7-53.3160.3000109.1W268 I289 L368 N369 C370 L439 V458W268-I414 HydrophobicContact CZ3-CD1 4.07Å; I289-I414 HydrophobicContact CD1-CD1 4Å; L368-I414 PolarHBondContact O-N 3.28Å; N369-I414 HydrophobicContact CB-CB 4.43Å; N369-I414 HydrophobicContact CB-CD1 4.31Å; C370-I414 PolarHBondContact N-O 2.97Å; I414-L439 WeakPolarHBondContact CA-O 3.44Å; I414-L439 HydrophobicContact CG1-CB 4.06Å; I414-V458 HydrophobicContact CD1-CG2 4.15Å; I414-V458 HydrophobicContact CG1-CG2 4.1Å; I414-V458 HydrophobicContact CG2-CG2 3.98Å
415D93.2Very high92.5Very high23 Ų2330.2 Ų30.212%0.12316%0.164CC..  trans47.357.6176.5-68.6-16.3000114.8A372 F417 L439 S440 D441A372-D415 VanDerWaalsContact CB-O 3.3Å; A372-D415 WeakPolarHBondContact CB-O 3.39Å; A372-D415 PolarHBondContact N-O 3.43Å; A372-D415 VanDerWaalsContact N-O 3.16Å; D415-F417 PolarHBondContact O-N 3.05Å; D415-L439 PolarHBondContact N-O 3.3Å; D415-S440 WeakPolarHBondContact OD1-CA 3.49Å; D415-D441 PolarHBondContact OD1-N 3.4Å; D415-D441 VanDerWaalsContact OD2-CB 3.25Å; D415-D441 WeakPolarHBondContact OD2-CB 3.49Å
416P94.8Very high92.5Very high0 Ų031.5 Ų31.50%016%0.159CC..  trans-65.2-23.6175.827.8-36.7000113.8A372 Y400 V413 W425 L428 L438A372-P416 VanDerWaalsContact CB-C 3.42Å; A372-P416 WeakPolarHBondContact CB-O 3.29Å; Y400-P416 HydrophobicContact CD2-CB 4.2Å; Y400-P416 HydrophobicContact CE2-CB 3.53Å; Y400-P416 WeakPolarHBondContact CE2-O 3.49Å; Y400-P416 WeakPolarHBondContact OH-CA 3.38Å; Y400-P416 PolarHBondContact OH-O 2.97Å; V413-P416 HydrophobicContact CG1-CB 3.89Å; V413-P416 HydrophobicContact CG1-CG 4.29Å; P416-W425 VanDerWaalsContact CD-CH2 3.46Å; P416-W425 HydrophobicContact CG-CD2 4.49Å; P416-W425 HydrophobicContact CG-CE3 4.07Å; P416-W425 HydrophobicContact CG-CH2 4.04Å; P416-W425 HydrophobicContact CG-CZ2 4.38Å; P416-W425 HydrophobicContact CG-CZ3 3.84Å; P416-L428 HydrophobicContact CB-CD2 3.68Å; P416-L428 HydrophobicContact CG-CD2 3.87Å; P416-L438 HydrophobicContact CG-CD2 4.2Å
417F94.2Very high92.5Very high1 Ų130.2 Ų30.20%0.00415%0.154CC..SBendtrans-144.6171-179.5-60-74.1000111.2Y383 L396 I397 Y400 D415 Q424 W425 L428Y383-F417 HydrophobicContact CE2-CD1 4.16Å; L396-F417 HydrophobicContact CB-CE1 4.07Å; L396-F417 HydrophobicContact CD2-CD1 4.07Å; L396-F417 HydrophobicContact CD2-CE1 3.68Å; L396-F417 HydrophobicContact CG-CE1 3.9Å; L396-F417 HydrophobicContact CG-CZ 4.37Å; I397-F417 HydrophobicContact CD1-CZ 4.44Å; I397-F417 HydrophobicContact CG1-CE1 4.44Å; I397-F417 HydrophobicContact CG1-CE2 4.17Å; I397-F417 HydrophobicContact CG1-CZ 3.54Å; Y400-F417 HydrophobicContact CD2-CE2 4.42Å; Y400-F417 HydrophobicContact CD2-CZ 4.09Å; Y400-F417 HydrophobicContact CE2-CE1 4.28Å; Y400-F417 HydrophobicContact CE2-CE2 4.19Å; Y400-F417 AromaticContact CE2-CZ 3.85Å; Y400-F417 HydrophobicContact CE2-CZ 3.85Å; D415-F417 PolarHBondContact O-N 3.05Å; F417-Q424 HydrophobicContact CD1-CB 4.21Å; F417-Q424 HydrophobicContact CD2-CB 4.04Å; F417-Q424 HydrophobicContact CE1-CB 4.32Å; F417-Q424 HydrophobicContact CE2-CB 4.17Å; F417-Q424 HydrophobicContact CG-CB 4.08Å; F417-Q424 HydrophobicContact CZ-CB 4.33Å; F417-W425 WeakPolarHBondContact O-CZ2 3.49Å; F417-L428 HydrophobicContact CD2-CD2 4.4Å; F417-L428 HydrophobicContact CE2-CB 3.93Å; F417-L428 HydrophobicContact CE2-CD2 3.65Å; F417-L428 HydrophobicContact CE2-CG 4.36Å; F417-L428 HydrophobicContact CZ-CD2 4.46Å
418R90.6Very high92.5Very high2 Ų229.4 Ų29.41%0.00815%0.151CC..  trans-61.7149.4164.7-67.9173.358.3-169.51.8112.3P212 P213 P373 V376 Y383 E420 E421 W425P212-R418 PolarHBondContact O-NH1 3.05Å; P212-R418 PolarHBondContact O-NH2 2.89Å; P212-R418 VanDerWaalsContact O-NH2 3.14Å; P213-R418 PolarHBondContact O-NH2 2.93Å; P373-R418 HydrophobicContact CB-CG 4.27Å; P373-R418 HydrophobicContact CG-CG 4.48Å; V376-R418 HydrophobicContact CG2-CG 3.83Å; Y383-R418 WeakPolarHBondContact OH-CG 3.44Å; Y383-R418 PolarHBondContact OH-N 3.46Å; Y383-R418 VanDerWaalsContact OH-N 3.1Å; R418-E420 WeakPolarHBondContact CB-OE2 3.46Å; R418-E420 IonicContact CZ-OE2 2.68Å; R418-E420 IonicContact NE-OE2 3.13Å; R418-E420 PolarHBondContact NE-OE2 2.89Å; R418-E420 IonicContact NH2-OE2 3.28Å; R418-E420 PolarHBondContact NH2-OE2 2.99Å; R418-E420 PolarHBondContact O-N 3.23Å; R418-E421 HydrophobicContact CB-CG 4.37Å; R418-E421 PolarHBondContact O-N 2.89Å; R418-W425 PolarHBondContact O-NE1 3.48Å
419R85.9Confident92.6Very high33 Ų3325 Ų2513%0.12512%0.123CC..THydrogen-bonded Turntrans-63.2-32.7177-171.2169.7-160.6134.2-3.7112.4E421 A448 P449 L451R419-E421 PolarHBondContact O-N 3.37Å; R419-A448 VanDerWaalsContact NH2-CB 3.28Å; R419-A448 PolarHBondContact NH2-O 2.79Å; R419-P449 PolarHBondContact NH2-O 3.01Å; R419-L451 HydrophobicContact CG-CD1 4.04Å; R419-L451 HydrophobicContact CG-CD2 3.9Å; R419-L451 HydrophobicContact CG-CG 4.17Å; R419-L451 WeakPolarHBondContact O-CD2 3.33Å
420E86.8Confident92.6Very high66 Ų6630.4 Ų30.431%0.30815%0.15SC..THydrogen-bonded Turntrans-68.2-13.7-179.5-54.777.2-130.300112.6P212 R418 A422 K445P212-E420 HydrophobicContact CB-CB 3.87Å; P212-E420 HydrophobicContact CG-CB 4.38Å; R418-E420 WeakPolarHBondContact CB-OE2 3.46Å; R418-E420 IonicContact CZ-OE2 2.68Å; R418-E420 IonicContact NE-OE2 3.13Å; R418-E420 PolarHBondContact NE-OE2 2.89Å; R418-E420 IonicContact NH2-OE2 3.28Å; R418-E420 PolarHBondContact NH2-OE2 2.99Å; R418-E420 PolarHBondContact O-N 3.23Å; E420-A422 PolarHBondContact O-N 3.46Å; E420-K445 IonicContact OE1-NZ 3.35Å
421E89.9Confident92.5Very high15 Ų1536.4 Ų36.47%0.0717%0.173CC..  trans-98.348.3-177.7-67-176.881.200112.6P212 Y383 P393 R418 R419 E423 Q424 W425P212-E421 HydrophobicContact CG-CG 4.35Å; Y383-E421 PolarHBondContact OH-OE2 3.1Å; P393-E421 VanDerWaalsContact CG-OE1 3.26Å; P393-E421 WeakPolarHBondContact CG-OE1 3.35Å; R418-E421 HydrophobicContact CB-CG 4.37Å; R418-E421 PolarHBondContact O-N 2.89Å; R419-E421 PolarHBondContact O-N 3.37Å; E421-E423 PolarHBondContact O-N 2.77Å; E421-E423 VanDerWaalsContact O-N 3.08Å; E421-Q424 HydrophobicContact CB-CB 4.22Å; E421-Q424 HydrophobicContact CB-CG 4.05Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 3.11Å; E421-W425 PolarHBondContact O-N 3.22Å
422A90.6Very high92.4Very high37 Ų3736.4 Ų36.431%0.30617%0.173SC..Hα-helixtrans-52.1-33.8-17700000114.3E420 Q424 W425 K426 L451 P452E420-A422 PolarHBondContact O-N 3.46Å; A422-Q424 VanDerWaalsContact C-N 3.31Å; A422-Q424 PolarHBondContact O-N 3.3Å; A422-W425 PolarHBondContact O-N 3.23Å; A422-K426 PolarHBondContact O-N 3.45Å; A422-K426 VanDerWaalsContact O-N 3.09Å; A422-L451 HydrophobicContact CB-CD2 4.24Å; A422-P452 HydrophobicContact CB-CG 4.02Å; A422-P452 VanDerWaalsContact O-CG 3.29Å; A422-P452 WeakPolarHBondContact O-CG 3.46Å
423E93.2Very high91.7Very high108 Ų10837 Ų3751%0.50518%0.179SC..Hα-helixtrans-61.9-37.4174-70.8-178.1-163.500112.9K209 E421 K426 K427K209-E423 IonicContact NZ-OE1 3.18Å; K209-E423 PolarHBondContact NZ-OE1 2.75Å; K209-E423 IonicContact NZ-OE2 2.95Å; K209-E423 PolarHBondContact NZ-OE2 3.46Å; E421-E423 PolarHBondContact O-N 2.77Å; E421-E423 VanDerWaalsContact O-N 3.08Å; E423-K426 PolarHBondContact O-N 3.42Å; E423-K427 WeakPolarHBondContact O-CG 3.39Å; E423-K427 PolarHBondContact O-N 3.01Å
424Q94.6Very high91.1Very high19 Ų1943.2 Ų43.29%0.08921%0.211CC..Hα-helixtrans-74.7-37.8-178.9-55.8-60.9-7.600111.3P393 D394 I397 F417 E421 A422 K426 K427 L428P393-Q424 HydrophobicContact CB-CG 3.85Å; D394-Q424 PolarHBondContact OD1-OE1 2.98Å; I397-Q424 VanDerWaalsContact CD1-OE1 3.24Å; F417-Q424 HydrophobicContact CD1-CB 4.21Å; F417-Q424 HydrophobicContact CD2-CB 4.04Å; F417-Q424 HydrophobicContact CE1-CB 4.32Å; F417-Q424 HydrophobicContact CE2-CB 4.17Å; F417-Q424 HydrophobicContact CG-CB 4.08Å; F417-Q424 HydrophobicContact CZ-CB 4.33Å; E421-Q424 HydrophobicContact CB-CB 4.22Å; E421-Q424 HydrophobicContact CB-CG 4.05Å; E421-Q424 WeakPolarHBondContact O-CB 3.38Å; E421-Q424 PolarHBondContact O-N 3.11Å; A422-Q424 VanDerWaalsContact C-N 3.31Å; A422-Q424 PolarHBondContact O-N 3.3Å; Q424-K426 VanDerWaalsContact C-N 3.32Å; Q424-K426 PolarHBondContact O-N 3.29Å; Q424-K427 PolarHBondContact O-N 2.79Å; Q424-L428 WeakPolarHBondContact O-CB 3.33Å; Q424-L428 PolarHBondContact O-N 2.76Å
425W94.2Very high90.5Very high1 Ų146.3 Ų46.30%0.00423%0.233CC..Hα-helixtrans-54.9-48.8168.8-76.789.5000111.6P416 F417 R418 E421 A422 L428 S429 L438 L439 L451 V454P416-W425 VanDerWaalsContact CD-CH2 3.46Å; P416-W425 HydrophobicContact CG-CD2 4.49Å; P416-W425 HydrophobicContact CG-CE3 4.07Å; P416-W425 HydrophobicContact CG-CH2 4.04Å; P416-W425 HydrophobicContact CG-CZ2 4.38Å; P416-W425 HydrophobicContact CG-CZ3 3.84Å; F417-W425 WeakPolarHBondContact O-CZ2 3.49Å; R418-W425 PolarHBondContact O-NE1 3.48Å; E421-W425 PolarHBondContact O-N 3.22Å; A422-W425 PolarHBondContact O-N 3.23Å; W425-L428 PolarHBondContact O-N 3.35Å; W425-S429 WeakPolarHBondContact O-CB 3.43Å; W425-S429 PolarHBondContact O-N 2.82Å; W425-L438 HydrophobicContact CE3-CB 4.45Å; W425-L438 HydrophobicContact CE3-CD1 4.27Å; W425-L438 HydrophobicContact CZ3-CB 4.3Å; W425-L439 WeakPolarHBondContact CH2-O 3.4Å; W425-L451 HydrophobicContact CD2-CD1 3.92Å; W425-L451 HydrophobicContact CE3-CD1 4.38Å; W425-L451 HydrophobicContact CG-CD1 4.31Å; W425-L451 HydrophobicContact CH2-CD1 4.26Å; W425-L451 HydrophobicContact CZ2-CD1 3.85Å; W425-V454 HydrophobicContact CD2-CG2 4.18Å; W425-V454 HydrophobicContact CE3-CG2 3.36Å; W425-V454 HydrophobicContact CH2-CG2 4.42Å; W425-V454 HydrophobicContact CZ3-CG2 3.51Å
426K94.1Very high90.4Very high111 Ų11145.2 Ų45.248%0.48323%0.227SC..Hα-helixtrans-61.4-51.1177.2-175.3177.8176.4-179.90111.9A422 E423 Q424 L428 S429 D430 P452A422-K426 PolarHBondContact O-N 3.45Å; A422-K426 VanDerWaalsContact O-N 3.09Å; E423-K426 PolarHBondContact O-N 3.42Å; Q424-K426 VanDerWaalsContact C-N 3.32Å; Q424-K426 PolarHBondContact O-N 3.29Å; K426-L428 VanDerWaalsContact C-N 3.29Å; K426-L428 PolarHBondContact O-N 3.37Å; K426-S429 WeakPolarHBondContact O-CB 3.34Å; K426-S429 PolarHBondContact O-N 3.14Å; K426-S429 VanDerWaalsContact O-N 3.14Å; K426-D430 VanDerWaalsContact O-CG 3.26Å; K426-D430 PolarHBondContact O-N 2.68Å; K426-P452 HydrophobicContact CB-CB 4.15Å; K426-P452 HydrophobicContact CB-CG 4.1Å
427K95.4Very high90.1Very high80 Ų8045.2 Ų45.235%0.34823%0.227SC..Hα-helixtrans-58.4-39.7-179.9-77.6171.8169.9179.30112.8D394 I397 E423 Q424 R431D394-K427 IonicContact OD1-NZ 3.86Å; D394-K427 PolarHBondContact OD1-NZ 3.28Å; I397-K427 HydrophobicContact CD1-CB 3.64Å; I397-K427 HydrophobicContact CD1-CD 4.04Å; E423-K427 WeakPolarHBondContact O-CG 3.39Å; E423-K427 PolarHBondContact O-N 3.01Å; Q424-K427 PolarHBondContact O-N 2.79Å; K427-R431 WeakPolarHBondContact O-CG 3.47Å; K427-R431 PolarHBondContact O-N 2.97Å
428L95Very high90Very high0 Ų045.2 Ų45.20%023%0.227CC..Hα-helixtrans-67-48.8175.5-17962.1000110I397 Y400 P416 F417 Q424 W425 K426 D430 R431 I432 L438I397-L428 HydrophobicContact CG1-CB 4.45Å; I397-L428 HydrophobicContact CG2-CD1 4.23Å; Y400-L428 HydrophobicContact CD2-CD1 4.24Å; Y400-L428 HydrophobicContact CD2-CD2 3.81Å; Y400-L428 HydrophobicContact CE2-CD2 4.36Å; Y400-L428 HydrophobicContact CG-CD2 4.44Å; P416-L428 HydrophobicContact CB-CD2 3.68Å; P416-L428 HydrophobicContact CG-CD2 3.87Å; F417-L428 HydrophobicContact CD2-CD2 4.4Å; F417-L428 HydrophobicContact CE2-CB 3.93Å; F417-L428 HydrophobicContact CE2-CD2 3.65Å; F417-L428 HydrophobicContact CE2-CG 4.36Å; F417-L428 HydrophobicContact CZ-CD2 4.46Å; Q424-L428 WeakPolarHBondContact O-CB 3.33Å; Q424-L428 PolarHBondContact O-N 2.76Å; W425-L428 PolarHBondContact O-N 3.35Å; K426-L428 VanDerWaalsContact C-N 3.29Å; K426-L428 PolarHBondContact O-N 3.37Å; L428-D430 VanDerWaalsContact C-N 3.32Å; L428-D430 PolarHBondContact O-N 3.3Å; L428-R431 WeakPolarHBondContact O-CB 3.49Å; L428-R431 PolarHBondContact O-N 2.85Å; L428-I432 HydrophobicContact CD1-CD1 3.72Å; L428-I432 HydrophobicContact CD1-CG1 3.88Å; L428-I432 HydrophobicContact CD1-CG2 4.32Å; L428-I432 HydrophobicContact CD2-CD1 4.21Å; L428-I432 HydrophobicContact CG-CD1 3.75Å; L428-I432 HydrophobicContact CG-CG1 3.96Å; L428-I432 VanDerWaalsContact O-CG1 3.23Å; L428-I432 WeakPolarHBondContact O-CG1 3.39Å; L428-I432 PolarHBondContact O-N 3.14Å; L428-L438 HydrophobicContact CB-CD1 4.27Å; L428-L438 HydrophobicContact CD2-CD1 4.13Å; L428-L438 HydrophobicContact CD2-CD2 3.85Å; L428-L438 HydrophobicContact CG-CD1 4.11Å; L428-L438 HydrophobicContact CG-CD2 4.33Å
429S92.7Very high90.1Very high13 Ų1345.1 Ų45.19%0.09123%0.227CC..Hα-helixtrans-55.8-44.1177.4-163.40000112.6W425 K426 R431 I432 G433 G453 H455W425-S429 WeakPolarHBondContact O-CB 3.43Å; W425-S429 PolarHBondContact O-N 2.82Å; K426-S429 WeakPolarHBondContact O-CB 3.34Å; K426-S429 PolarHBondContact O-N 3.14Å; K426-S429 VanDerWaalsContact O-N 3.14Å; S429-R431 PolarHBondContact O-N 3.48Å; S429-I432 PolarHBondContact O-N 3.16Å; S429-G433 WeakPolarHBondContact O-CA 3.47Å; S429-G433 PolarHBondContact O-N 3.32Å; S429-G453 VanDerWaalsContact CB-CA 3.49Å; S429-G453 WeakPolarHBondContact CB-O 3.26Å; S429-G453 WeakPolarHBondContact OG-CA 3.49Å; S429-G453 PolarHBondContact OG-O 3.35Å; S429-H455 PolarHBondContact OG-CE1 3.24Å
430D92.6Very high90.2Very high120 Ų12043.7 Ų43.764%0.64222%0.222SC*.Hα-helixtrans-61.7-26.1177.4-68.6-19.1000112.4K426 L428K426-D430 VanDerWaalsContact O-CG 3.26Å; K426-D430 PolarHBondContact O-N 2.68Å; L428-D430 VanDerWaalsContact C-N 3.32Å; L428-D430 PolarHBondContact O-N 3.3Å
431R91.8Very high90.1Very high127 Ų12742.3 Ų42.348%0.47922%0.217SC..Hα-helixtrans-89.1-42.7-180-74.7172.9174-125.219113.8E398 K427 L428 S429E398-R431 VanDerWaalsContact CD-NH1 3.28Å; E398-R431 IonicContact OE1-CZ 3.5Å; E398-R431 IonicContact OE1-NH1 2.77Å; E398-R431 PolarHBondContact OE1-NH1 3.29Å; E398-R431 IonicContact OE1-NH2 2.79Å; E398-R431 PolarHBondContact OE1-NH2 2.9Å; E398-R431 IonicContact OE2-NH1 3.8Å; E398-R431 PolarHBondContact OE2-NH1 2.94Å; K427-R431 WeakPolarHBondContact O-CG 3.47Å; K427-R431 PolarHBondContact O-N 2.97Å; L428-R431 WeakPolarHBondContact O-CB 3.49Å; L428-R431 PolarHBondContact O-N 2.85Å; S429-R431 PolarHBondContact O-N 3.48Å
432I88.8Confident89.4Confident4 Ų441.6 Ų41.62%0.02121%0.214CC..Hα-helixtrans-115.3-6.4-17163.2160.3000114.1N401 I404 L428 S429 I434 S435 C436 L438N401-I432 HydrophobicContact CB-CG2 4.48Å; I404-I432 HydrophobicContact CD1-CB 4.21Å; I404-I432 HydrophobicContact CD1-CD1 3.25Å; I404-I432 HydrophobicContact CD1-CG1 4.3Å; I404-I432 HydrophobicContact CD1-CG2 4.08Å; L428-I432 HydrophobicContact CD1-CD1 3.72Å; L428-I432 HydrophobicContact CD1-CG1 3.88Å; L428-I432 HydrophobicContact CD1-CG2 4.32Å; L428-I432 HydrophobicContact CD2-CD1 4.21Å; L428-I432 HydrophobicContact CG-CD1 3.75Å; L428-I432 HydrophobicContact CG-CG1 3.96Å; L428-I432 VanDerWaalsContact O-CG1 3.23Å; L428-I432 WeakPolarHBondContact O-CG1 3.39Å; L428-I432 PolarHBondContact O-N 3.14Å; S429-I432 PolarHBondContact O-N 3.16Å; I432-I434 PolarHBondContact O-N 3.16Å; I432-S435 PolarHBondContact O-N 3.04Å; I432-C436 HydrophobicContact CD1-CB 4.17Å; I432-C436 PolarHBondContact O-N 3.01Å; I432-L438 HydrophobicContact CD1-CD2 3.86Å
433G79.2Confident88.3Confident14 Ų1440.2 Ų40.214%0.14420%0.201CC..THydrogen-bonded Turntrans-62.7-18.3-168.100000115.4S429S429-G433 WeakPolarHBondContact O-CA 3.47Å; S429-G433 PolarHBondContact O-N 3.32Å
434I81.1Confident86.6Confident129 Ų12938.5 Ų38.566%0.66219%0.193SC*.THydrogen-bonded Turntrans-76.1-32172.6-60.3172.7000111.4I432 L555I432-I434 PolarHBondContact O-N 3.16Å; I434-L555 WeakPolarHBondContact O-CD2 3.18Å
435S82.7Confident84.8Confident69 Ų6941 Ų4148%0.48320%0.203SC..THydrogen-bonded Turntrans-105.7-21.2-173-52.80000113.3I432 L555I432-S435 PolarHBondContact O-N 3.04Å; S435-L555 WeakPolarHBondContact O-CD2 3.38Å
436C89.5Confident82.9Confident0 Ų043.2 Ų43.20%022%0.223CC..  trans-149.8132.2-175.8179.40000111.6I404 V411 A412 I432I404-C436 HydrophobicContact CD1-CB 4.11Å; I404-C436 HydrophobicContact CG2-CB 3.95Å; V411-C436 VanDerWaalsContact C-SG 3.56Å; A412-C436 PolarHBondContact N-SG 2.68Å; I432-C436 HydrophobicContact CD1-CB 4.17Å; I432-C436 PolarHBondContact O-N 3.01Å
437S90.4Very high81.2Confident1 Ų147.3 Ų47.31%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-77.1145.6174.1-73.90000111.8V411 A412 V413 L551V411-S437 PolarHBondContact O-N 3.13Å; A412-S437 CarbonylContact C-O 3.47Å; A412-S437 VanDerWaalsContact CA-O 3.3Å; A412-S437 WeakPolarHBondContact CA-O 3.42Å; V413-S437 PolarHBondContact N-O 3.41Å; S437-L551 PolarHBondContact OG-O 3.36Å; S437-L551 VanDerWaalsContact OG-O 3.08Å
438L91.8Very high79.7Confident0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-105.4129.4173.2-66.9-173.2000109.8V413 P416 W425 L428 I432 H455 G456V413-L438 HydrophobicContact CB-CD2 4.03Å; P416-L438 HydrophobicContact CG-CD2 4.2Å; W425-L438 HydrophobicContact CE3-CB 4.45Å; W425-L438 HydrophobicContact CE3-CD1 4.27Å; W425-L438 HydrophobicContact CZ3-CB 4.3Å; L428-L438 HydrophobicContact CB-CD1 4.27Å; L428-L438 HydrophobicContact CD2-CD1 4.13Å; L428-L438 HydrophobicContact CD2-CD2 3.85Å; L428-L438 HydrophobicContact CG-CD1 4.11Å; L428-L438 HydrophobicContact CG-CD2 4.33Å; I432-L438 HydrophobicContact CD1-CD2 3.86Å; L438-H455 PolarHBondContact N-ND1 3.38Å; L438-H455 PolarHBondContact O-N 2.9Å; L438-G456 PolarHBondContact O-N 2.94Å
439L91.2Very high78.5Confident0 Ų049.7 Ų49.70%027%0.269CS..EExtended strand (participates in β ladder)trans-119.9143.9178.1-67.376.9000110.7W268 A412 V413 I414 D415 W425 G456 V458 V485 L551W268-L439 HydrophobicContact CH2-CD2 3.72Å; W268-L439 HydrophobicContact CZ3-CD2 4.26Å; A412-L439 HydrophobicContact CB-CD1 3.76Å; V413-L439 PolarHBondContact O-N 2.71Å; I414-L439 WeakPolarHBondContact CA-O 3.44Å; I414-L439 HydrophobicContact CG1-CB 4.06Å; D415-L439 PolarHBondContact N-O 3.3Å; W425-L439 WeakPolarHBondContact CH2-O 3.4Å; L439-G456 VanDerWaalsContact CA-O 3.23Å; L439-G456 WeakPolarHBondContact CA-O 3.38Å; L439-V458 HydrophobicContact CB-CG2 4.19Å; L439-V458 HydrophobicContact CD2-CG2 3.94Å; L439-V485 HydrophobicContact CD2-CG2 3.66Å; L439-L551 HydrophobicContact CD1-CD1 4.11Å; L439-L551 HydrophobicContact CD2-CD1 4.21Å; L439-L551 HydrophobicContact CG-CD1 4.4Å
440S88.3Confident77.8Confident3 Ų352.9 Ų52.92%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-115.5133.8173.1-179.80000110.6D415 G456 Y457 V458D415-S440 WeakPolarHBondContact OD1-CA 3.49Å; S440-G456 PolarHBondContact N-O 3.21Å; S440-Y457 CarbonylContact O-C 3.2Å; S440-Y457 VanDerWaalsContact O-CA 3.31Å; S440-Y457 WeakPolarHBondContact O-CA 3.39Å; S440-V458 PolarHBondContact O-N 3.09Å
441D84.9Confident77.4Confident37 Ų3748 Ų4820%0.19827%0.27CS..EExtended strand (participates in β ladder)trans-74.8124167.7-173.1-21.2000109.8D415 T443 V458 R460D415-D441 PolarHBondContact OD1-N 3.4Å; D415-D441 VanDerWaalsContact OD2-CB 3.25Å; D415-D441 WeakPolarHBondContact OD2-CB 3.49Å; D441-T443 VanDerWaalsContact OD1-CB 3.29Å; D441-T443 WeakPolarHBondContact OD1-CB 3.42Å; D441-T443 PolarHBondContact OD1-N 2.88Å; D441-T443 PolarHBondContact OD1-OG1 2.47Å; D441-V458 WeakPolarHBondContact CA-O 3.48Å; D441-V458 HydrophobicContact CB-CB 4.44Å; D441-R460 IonicContact OD1-CZ 3.9Å; D441-R460 IonicContact OD1-NE 2.74Å; D441-R460 IonicContact OD1-NH2 2.68Å; D441-R460 PolarHBondContact OD1-NH2 2.91Å; D441-R460 IonicContact OD2-CZ 3.59Å; D441-R460 VanDerWaalsContact OD2-CZ 3.25Å; D441-R460 IonicContact OD2-NE 3.4Å; D441-R460 PolarHBondContact OD2-NE 3.06Å; D441-R460 IonicContact OD2-NH2 3.67Å; D441-R460 PolarHBondContact OD2-NH2 2.88Å
442I76.6Confident77.1Confident1 Ų144.4 Ų44.41%0.00526%0.263CS..  trans-115.87.3-175.660.8165.3000113.6H444 K445 A446 Y457 V458 F459 Y477I442-H444 VanDerWaalsContact C-N 3.32Å; I442-H444 PolarHBondContact O-N 3.13Å; I442-H444 VanDerWaalsContact O-N 3.14Å; I442-K445 CarbonylContact O-C 3.52Å; I442-K445 WeakPolarHBondContact O-CA 3.43Å; I442-K445 PolarHBondContact O-N 2.94Å; I442-A446 PolarHBondContact O-N 3.05Å; I442-A446 VanDerWaalsContact O-N 3.16Å; I442-Y457 HydrophobicContact CD1-CG 4.3Å; I442-Y457 HydrophobicContact CG2-CD1 3.38Å; I442-Y457 HydrophobicContact CG2-CE1 4.04Å; I442-Y457 HydrophobicContact CG2-CG 4.15Å; I442-V458 WeakPolarHBondContact CG1-O 3.44Å; I442-V458 PolarHBondContact N-O 3.42Å; I442-F459 HydrophobicContact CD1-CB 4.46Å; I442-F459 HydrophobicContact CD1-CD2 4.32Å; I442-F459 HydrophobicContact CG1-CB 4.33Å; I442-F459 HydrophobicContact CG1-CD2 4.32Å; I442-Y477 HydrophobicContact CD1-CD2 3.81Å; I442-Y477 HydrophobicContact CD1-CE1 3.97Å; I442-Y477 HydrophobicContact CD1-CE2 3.16Å; I442-Y477 WeakPolarHBondContact CD1-OH 3.43Å
443T66.9Low76.8Confident8 Ų845.5 Ų45.55%0.04928%0.275CS..THydrogen-bonded Turntrans-49.3-47.2-168.7-59.40000114D441 R460 A462D441-T443 VanDerWaalsContact OD1-CB 3.29Å; D441-T443 WeakPolarHBondContact OD1-CB 3.42Å; D441-T443 PolarHBondContact OD1-N 2.88Å; D441-T443 PolarHBondContact OD1-OG1 2.47Å; T443-R460 HydrophobicContact CG2-CB 3.55Å; T443-R460 HydrophobicContact CG2-CG 4.28Å; T443-R460 WeakPolarHBondContact OG1-CB 3.11Å; T443-R460 WeakPolarHBondContact OG1-CG 3.21Å; T443-R460 VanDerWaalsContact OG1-CZ 3.27Å; T443-R460 PolarHBondContact OG1-N 3.42Å; T443-R460 PolarHBondContact OG1-NE 3.28Å; T443-A462 HydrophobicContact CG2-CB 4.32Å
444H56.8Low77.1Confident71 Ų7145.5 Ų45.533%0.32927%0.273SS..THydrogen-bonded Turntrans-97.49.4-178.7-54.2-63000112.9H107 I442 R460H107-H444 AromaticContact CE1-CE1 3.52Å; H107-H444 AromaticContact CE1-NE2 3.7Å; H107-H444 AromaticContact NE2-CE1 3.31Å; H107-H444 PolarHBondContact NE2-CE1 2.75Å; H107-H444 VanDerWaalsContact NE2-CE1 3.31Å; H107-H444 AromaticContact NE2-NE2 3.97Å; I442-H444 VanDerWaalsContact C-N 3.32Å; I442-H444 PolarHBondContact O-N 3.13Å; I442-H444 VanDerWaalsContact O-N 3.14Å; H444-R460 PolarHBondContact NE2-NH1 3.16Å
445K57.9Low77.3Confident71 Ų7141.5 Ų41.531%0.30925%0.251SS..  trans-14240.8-170.8-61.5-168.2-174.1-169.90110.1E215 E420 I442 Q447 A448E215-K445 WeakPolarHBondContact OE2-CE 3.24Å; E215-K445 IonicContact OE2-NZ 2.81Å; E215-K445 PolarHBondContact OE2-NZ 2.79Å; E420-K445 IonicContact OE1-NZ 3.35Å; I442-K445 CarbonylContact O-C 3.52Å; I442-K445 WeakPolarHBondContact O-CA 3.43Å; I442-K445 PolarHBondContact O-N 2.94Å; K445-Q447 PolarHBondContact O-N 3.05Å; K445-A448 HydrophobicContact CB-CB 3.74Å; K445-A448 WeakPolarHBondContact O-CB 3.26Å; K445-A448 PolarHBondContact O-N 3.48Å
446A54Low77.4Confident49 Ų4938.2 Ų38.241%0.40523%0.228SC..THydrogen-bonded Turntrans-56.8-25.1-174.900000113.1I442 Y477I442-A446 PolarHBondContact O-N 3.05Å; I442-A446 VanDerWaalsContact O-N 3.16Å; A446-Y477 PolarHBondContact O-OH 3.45Å
447Q56.9Low77.2Confident197 Ų19738.5 Ų38.592%0.92123%0.229SC*.THydrogen-bonded Turntrans-97.41.3177.4-61-1776.500114.7K445K445-Q447 PolarHBondContact O-N 3.05Å
448A65.2Low77Confident24 Ų2438.5 Ų38.520%0.19823%0.229CC..SBendtrans-72.5146.5-176.100000111.6R419 K445R419-A448 VanDerWaalsContact NH2-CB 3.28Å; R419-A448 PolarHBondContact NH2-O 2.79Å; K445-A448 HydrophobicContact CB-CB 3.74Å; K445-A448 WeakPolarHBondContact O-CB 3.26Å; K445-A448 PolarHBondContact O-N 3.48Å
449P70.1Confident76.4Confident106 Ų10639 Ų3969%0.68823%0.231SC*.PPolyproline II helixtrans-61.8146.1-173.324.3-34.2000111.8R419 L451R419-P449 PolarHBondContact NH2-O 3.01Å; P449-L451 PolarHBondContact O-N 2.86Å
450A77.9Confident75.6Confident80 Ų8040.2 Ų40.266%0.66124%0.236SC*.PPolyproline II helixtrans-55.9137.5177.100000111.1
451L83.2Confident74.8Confident16 Ų1640.7 Ų40.78%0.08424%0.238CC..PPolyproline II helixtrans-88.6140.3178-76174.6000110.8R419 A422 W425 P449 V454R419-L451 HydrophobicContact CG-CD1 4.04Å; R419-L451 HydrophobicContact CG-CD2 3.9Å; R419-L451 HydrophobicContact CG-CG 4.17Å; R419-L451 WeakPolarHBondContact O-CD2 3.33Å; A422-L451 HydrophobicContact CB-CD2 4.24Å; W425-L451 HydrophobicContact CD2-CD1 3.92Å; W425-L451 HydrophobicContact CE3-CD1 4.38Å; W425-L451 HydrophobicContact CG-CD1 4.31Å; W425-L451 HydrophobicContact CH2-CD1 4.26Å; W425-L451 HydrophobicContact CZ2-CD1 3.85Å; P449-L451 PolarHBondContact O-N 2.86Å; L451-V454 HydrophobicContact CB-CB 4.18Å; L451-V454 HydrophobicContact CB-CG2 3.46Å; L451-V454 VanDerWaalsContact CB-CG2 3.46Å; L451-V454 HydrophobicContact CD1-CG2 4.1Å; L451-V454 HydrophobicContact CG-CG2 4.46Å
452P84.9Confident74.2Confident52 Ų5238.9 Ų38.934%0.33823%0.228SC..THydrogen-bonded Turntrans-68135.5176.930.3-35.3000110.6A422 K426 V454A422-P452 HydrophobicContact CB-CG 4.02Å; A422-P452 VanDerWaalsContact O-CG 3.29Å; A422-P452 WeakPolarHBondContact O-CG 3.46Å; K426-P452 HydrophobicContact CB-CB 4.15Å; K426-P452 HydrophobicContact CB-CG 4.1Å; P452-V454 VanDerWaalsContact C-N 3.27Å; P452-V454 PolarHBondContact O-N 2.65Å
453G82.9Confident74.1Confident27 Ų2739.1 Ų39.128%0.27823%0.229SC..THydrogen-bonded Turntrans76.78.3176.600000115.2S429 H455S429-G453 VanDerWaalsContact CB-CA 3.49Å; S429-G453 WeakPolarHBondContact CB-O 3.26Å; S429-G453 WeakPolarHBondContact OG-CA 3.49Å; S429-G453 PolarHBondContact OG-O 3.35Å; G453-H455 PolarHBondContact O-CE1 3.45Å; G453-H455 PolarHBondContact O-ND1 3.06Å
454V86.5Confident74.5Confident15 Ų1541.2 Ų41.29%0.09124%0.239CC..  trans-85.4132.9172173.60000110W425 L451 P452 G456 Y457W425-V454 HydrophobicContact CD2-CG2 4.18Å; W425-V454 HydrophobicContact CE3-CG2 3.36Å; W425-V454 HydrophobicContact CH2-CG2 4.42Å; W425-V454 HydrophobicContact CZ3-CG2 3.51Å; L451-V454 HydrophobicContact CB-CB 4.18Å; L451-V454 HydrophobicContact CB-CG2 3.46Å; L451-V454 VanDerWaalsContact CB-CG2 3.46Å; L451-V454 HydrophobicContact CD1-CG2 4.1Å; L451-V454 HydrophobicContact CG-CG2 4.46Å; P452-V454 VanDerWaalsContact C-N 3.27Å; P452-V454 PolarHBondContact O-N 2.65Å; V454-G456 WeakPolarHBondContact CG1-O 3.35Å; V454-Y457 HydrophobicContact CG1-CD1 4.26Å; V454-Y457 HydrophobicContact CG1-CE1 3.85Å
455H85.1Confident75.6Confident44 Ų4438.6 Ų38.620%0.20423%0.227CC..  trans-106.2-13.6-175-61.495000112.7S429 L438 G453 C482 S483S429-H455 PolarHBondContact OG-CE1 3.24Å; L438-H455 PolarHBondContact N-ND1 3.38Å; L438-H455 PolarHBondContact O-N 2.9Å; G453-H455 PolarHBondContact O-CE1 3.45Å; G453-H455 PolarHBondContact O-ND1 3.06Å; H455-C482 WeakPolarHBondContact O-CA 3.06Å; H455-S483 PolarHBondContact O-N 2.78Å
456G85.6Confident77.1Confident0 Ų035.2 Ų35.20%021%0.213CC..EExtended strand (participates in β ladder)trans-162.7169.5177.200000113.4L438 L439 S440 V454 S483L438-G456 PolarHBondContact O-N 2.94Å; L439-G456 VanDerWaalsContact CA-O 3.23Å; L439-G456 WeakPolarHBondContact CA-O 3.38Å; S440-G456 PolarHBondContact N-O 3.21Å; V454-G456 WeakPolarHBondContact CG1-O 3.35Å; G456-S483 CarbonylContact C-O 3.55Å; G456-S483 WeakPolarHBondContact CA-O 3.37Å
457Y85.2Confident78.9Confident6 Ų633 Ų332%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-127.7138.6179.5-61.6-76.3000110S440 I442 V454 Y477 C482 S483 V485S440-Y457 CarbonylContact O-C 3.2Å; S440-Y457 VanDerWaalsContact O-CA 3.31Å; S440-Y457 WeakPolarHBondContact O-CA 3.39Å; I442-Y457 HydrophobicContact CD1-CG 4.3Å; I442-Y457 HydrophobicContact CG2-CD1 3.38Å; I442-Y457 HydrophobicContact CG2-CE1 4.04Å; I442-Y457 HydrophobicContact CG2-CG 4.15Å; V454-Y457 HydrophobicContact CG1-CD1 4.26Å; V454-Y457 HydrophobicContact CG1-CE1 3.85Å; Y457-Y477 HydrophobicContact CD1-CE1 4.33Å; Y457-Y477 AromaticContact CD2-CD1 3.21Å; Y457-Y477 HydrophobicContact CD2-CD1 3.21Å; Y457-Y477 AromaticContact CD2-CE1 3.63Å; Y457-Y477 HydrophobicContact CD2-CE1 3.63Å; Y457-Y477 AromaticContact CD2-CG 3.99Å; Y457-Y477 HydrophobicContact CD2-CG 3.99Å; Y457-Y477 HydrophobicContact CE1-CE1 4.33Å; Y457-Y477 AromaticContact CE2-CD1 3.4Å; Y457-Y477 HydrophobicContact CE2-CD1 3.4Å; Y457-Y477 VanDerWaalsContact CE2-CD1 3.4Å; Y457-Y477 AromaticContact CE2-CE1 3.66Å; Y457-Y477 HydrophobicContact CE2-CE1 3.66Å; Y457-Y477 AromaticContact CG-CD1 3.91Å; Y457-Y477 HydrophobicContact CG-CD1 3.91Å; Y457-Y477 AromaticContact CG-CE1 3.97Å; Y457-Y477 HydrophobicContact CG-CE1 3.97Å; Y457-C482 HydrophobicContact CD2-CB 3.95Å; Y457-C482 HydrophobicContact CE2-CB 3.84Å; Y457-S483 PolarHBondContact N-O 3.02Å; Y457-V485 PolarHBondContact O-N 3.34Å
458V85.2Confident80.5Confident2 Ų225 Ų251%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-96.5122.3168.7-175.30000107I414 L439 S440 D441 I442 V485 D487I414-V458 HydrophobicContact CD1-CG2 4.15Å; I414-V458 HydrophobicContact CG1-CG2 4.1Å; I414-V458 HydrophobicContact CG2-CG2 3.98Å; L439-V458 HydrophobicContact CB-CG2 4.19Å; L439-V458 HydrophobicContact CD2-CG2 3.94Å; S440-V458 PolarHBondContact O-N 3.09Å; D441-V458 WeakPolarHBondContact CA-O 3.48Å; D441-V458 HydrophobicContact CB-CB 4.44Å; I442-V458 WeakPolarHBondContact CG1-O 3.44Å; I442-V458 PolarHBondContact N-O 3.42Å; V458-V485 WeakPolarHBondContact CA-O 3.19Å; V458-V485 HydrophobicContact CG2-CB 4.35Å; V458-D487 HydrophobicContact CG1-CB 3.49Å; V458-D487 VanDerWaalsContact CG1-CB 3.49Å
459F78.9Confident81.5Confident9 Ų927.1 Ų27.14%0.03917%0.168CC..EExtended strand (participates in β ladder)trans-119.4126-179.9174.7-94.8000109.1I442 T465 I470 A473 V485 M486 D487I442-F459 HydrophobicContact CD1-CB 4.46Å; I442-F459 HydrophobicContact CD1-CD2 4.32Å; I442-F459 HydrophobicContact CG1-CB 4.33Å; I442-F459 HydrophobicContact CG1-CD2 4.32Å; F459-T465 HydrophobicContact CZ-CG2 4.02Å; F459-I470 HydrophobicContact CE1-CG1 4.16Å; F459-I470 HydrophobicContact CE1-CG2 4.15Å; F459-I470 HydrophobicContact CZ-CG1 4.45Å; F459-A473 HydrophobicContact CE2-CB 4.24Å; F459-A473 HydrophobicContact CZ-CB 4.46Å; F459-V485 PolarHBondContact N-O 3.01Å; F459-M486 CarbonylContact O-C 3.59Å; F459-M486 WeakPolarHBondContact O-CA 3.29Å; F459-D487 PolarHBondContact O-N 2.9Å
460R75.6Confident82.3Confident26 Ų2622 Ų2210%0.09814%0.135CC..EExtended strand (participates in β ladder)trans-103.7152.7172.2-52.4171.3-98.8124.5-2.4110.1D441 T443 H444 A462 D487 M489D441-R460 IonicContact OD1-CZ 3.9Å; D441-R460 IonicContact OD1-NE 2.74Å; D441-R460 IonicContact OD1-NH2 2.68Å; D441-R460 PolarHBondContact OD1-NH2 2.91Å; D441-R460 IonicContact OD2-CZ 3.59Å; D441-R460 VanDerWaalsContact OD2-CZ 3.25Å; D441-R460 IonicContact OD2-NE 3.4Å; D441-R460 PolarHBondContact OD2-NE 3.06Å; D441-R460 IonicContact OD2-NH2 3.67Å; D441-R460 PolarHBondContact OD2-NH2 2.88Å; T443-R460 HydrophobicContact CG2-CB 3.55Å; T443-R460 HydrophobicContact CG2-CG 4.28Å; T443-R460 WeakPolarHBondContact OG1-CB 3.11Å; T443-R460 WeakPolarHBondContact OG1-CG 3.21Å; T443-R460 VanDerWaalsContact OG1-CZ 3.27Å; T443-R460 PolarHBondContact OG1-N 3.42Å; T443-R460 PolarHBondContact OG1-NE 3.28Å; H444-R460 PolarHBondContact NE2-NH1 3.16Å; R460-A462 PolarHBondContact O-N 2.84Å; R460-D487 WeakPolarHBondContact CA-O 3.26Å; R460-D487 HydrophobicContact CG-CB 3.97Å; R460-M489 VanDerWaalsContact NH1-CE 3.32Å
461H71.6Confident82.7Confident13 Ų1319.5 Ų19.56%0.0611%0.11CC..  trans-79.998.2175-176.8-141.5000109V104 S106 T465 I470 M486V104-H461 WeakPolarHBondContact CG1-CE1 3.15Å; V104-H461 WeakPolarHBondContact CG1-ND1 3.25Å; V104-H461 VanDerWaalsContact CG2-CE1 3.45Å; V104-H461 WeakPolarHBondContact CG2-CE1 3.18Å; S106-H461 VanDerWaalsContact CB-O 3.31Å; S106-H461 WeakPolarHBondContact CB-O 3.2Å; H461-T465 PolarHBondContact NE2-O 3.36Å; H461-I470 WeakPolarHBondContact CD2-CD1 3.39Å; H461-M486 HydrophobicContact CB-CE 4.42Å
462A71.4Confident82.7Confident0 Ų024.5 Ų24.50%013%0.133CC..  trans-71.8157.9177.800000110.8T443 R460 E464 T465T443-A462 HydrophobicContact CG2-CB 4.32Å; R460-A462 PolarHBondContact O-N 2.84Å; A462-E464 PolarHBondContact O-N 2.97Å; A462-E464 VanDerWaalsContact O-N 3.16Å; A462-T465 WeakPolarHBondContact CB-OG1 3.4Å; A462-T465 PolarHBondContact N-OG1 2.91Å; A462-T465 VanDerWaalsContact O-CB 3.31Å; A462-T465 WeakPolarHBondContact O-CB 3.44Å; A462-T465 PolarHBondContact O-N 3.39Å; A462-T465 PolarHBondContact O-OG1 3.2Å
463N74.1Confident82.4Confident5 Ų522.6 Ų22.63%0.02712%0.122CC..THydrogen-bonded Turntrans-51.1-43.2-175.3-81.18000112.6V105 S106 L222 G224 M225 G228V105-N463 WeakPolarHBondContact CA-OD1 3.43Å; S106-N463 WeakPolarHBondContact CB-OD1 3.47Å; S106-N463 PolarHBondContact N-OD1 2.94Å; L222-N463 PolarHBondContact O-ND2 2.96Å; G224-N463 CarbonylContact C-O 3.57Å; G224-N463 CarbonylContact O-C 3.2Å; M225-N463 WeakPolarHBondContact CA-O 3.45Å; M225-N463 HydrophobicContact CB-CB 4.17Å; G228-N463 WeakPolarHBondContact CA-O 3.42Å; G228-N463 PolarHBondContact N-O 3.17Å; G228-N463 VanDerWaalsContact N-O 3.14Å
464E74.9Confident82.1Confident53 Ų5321.5 Ų21.525%0.24811%0.11CC..THydrogen-bonded Turntrans-85-6.2-177.571.1-80.5-169.400114.5F157 V227 A462 T466F157-E464 HydrophobicContact CD1-CB 3.96Å; F157-E464 HydrophobicContact CD1-CG 4.4Å; F157-E464 HydrophobicContact CE1-CB 3.45Å; F157-E464 VanDerWaalsContact CE1-CB 3.45Å; F157-E464 HydrophobicContact CE1-CG 3.69Å; F157-E464 HydrophobicContact CE2-CB 4.13Å; F157-E464 HydrophobicContact CG-CB 4.49Å; F157-E464 HydrophobicContact CZ-CB 3.53Å; F157-E464 HydrophobicContact CZ-CG 4.08Å; V227-E464 WeakPolarHBondContact CG1-O 3.22Å; A462-E464 PolarHBondContact O-N 2.97Å; A462-E464 VanDerWaalsContact O-N 3.16Å; E464-T466 PolarHBondContact O-N 3Å
465T80.4Confident81.6Confident15 Ų1528 Ų289%0.09214%0.137CC..  trans-75.9126.9-175.3-57.40000110G228 F459 H461 A462 D469 I470G228-T465 WeakPolarHBondContact CA-O 3.46Å; F459-T465 HydrophobicContact CZ-CG2 4.02Å; H461-T465 PolarHBondContact NE2-O 3.36Å; A462-T465 WeakPolarHBondContact CB-OG1 3.4Å; A462-T465 PolarHBondContact N-OG1 2.91Å; A462-T465 VanDerWaalsContact O-CB 3.31Å; A462-T465 WeakPolarHBondContact O-CB 3.44Å; A462-T465 PolarHBondContact O-N 3.39Å; A462-T465 PolarHBondContact O-OG1 3.2Å; T465-D469 HydrophobicContact CG2-CB 3.75Å; T465-I470 HydrophobicContact CG2-CG1 3.63Å
466T89.9Confident80.7Confident1 Ų128.6 Ų28.61%0.00615%0.145CC..  trans-86.2162.4173.967.60000112D150 S154 V227 S231 E464 S468 D469 I470D150-T466 HydrophobicContact CB-CG2 4.05Å; D150-T466 VanDerWaalsContact CG-CB 3.49Å; S154-T466 WeakPolarHBondContact OG-CG2 3.4Å; V227-T466 HydrophobicContact CG1-CG2 3.71Å; S231-T466 WeakPolarHBondContact OG-CA 3.29Å; S231-T466 WeakPolarHBondContact OG-CB 3.49Å; E464-T466 PolarHBondContact O-N 3Å; T466-S468 PolarHBondContact O-N 3.36Å; T466-D469 WeakPolarHBondContact CB-OD2 3.39Å; T466-D469 PolarHBondContact N-OD2 3.42Å; T466-D469 WeakPolarHBondContact O-CB 3.1Å; T466-D469 PolarHBondContact O-N 3.31Å; T466-D469 PolarHBondContact OG1-N 2.97Å; T466-D469 VanDerWaalsContact OG1-N 3.1Å; T466-D469 PolarHBondContact OG1-OD2 3.47Å; T466-I470 WeakPolarHBondContact O-CG1 3.06Å; T466-I470 PolarHBondContact O-N 2.78Å
467V90.6Very high79.6Confident1 Ų129.7 Ų29.71%0.00615%0.15CC..Hα-helixtrans-56.3-39.5173.6173.40000111.1Q146 S231 L232 A235 I250 L253 I470 I471 L502Q146-V467 HydrophobicContact CG-CB 4.37Å; Q146-V467 HydrophobicContact CG-CG1 4.37Å; S231-V467 PolarHBondContact OG-N 3.13Å; L232-V467 HydrophobicContact CD1-CG2 4.32Å; A235-V467 HydrophobicContact CB-CG1 4.47Å; A235-V467 HydrophobicContact CB-CG2 4.01Å; I250-V467 HydrophobicContact CD1-CG1 3.68Å; L253-V467 HydrophobicContact CD1-CG1 4.41Å; V467-I470 PolarHBondContact O-N 2.95Å; V467-I471 HydrophobicContact CG1-CD1 3.98Å; V467-I471 VanDerWaalsContact O-CG1 3.32Å; V467-I471 WeakPolarHBondContact O-CG1 3.48Å; V467-I471 PolarHBondContact O-N 2.96Å; V467-L502 HydrophobicContact CG1-CD2 4.36Å
468S91.2Very high78.6Confident31 Ų3131.9 Ų31.922%0.21716%0.16CC..Hα-helixtrans-64.7-38.2175.2-62.10000112.7D150 T466 I471 H472D150-S468 WeakPolarHBondContact CB-OG 3.01Å; D150-S468 WeakPolarHBondContact OD2-CB 3.48Å; D150-S468 PolarHBondContact OD2-N 3.46Å; D150-S468 PolarHBondContact OD2-OG 3.02Å; T466-S468 PolarHBondContact O-N 3.36Å; S468-I471 PolarHBondContact O-N 3.42Å; S468-H472 WeakPolarHBondContact O-CB 3.47Å; S468-H472 PolarHBondContact O-N 3.39Å
469D86.9Confident77.2Confident67 Ų6735.1 Ų35.136%0.35819%0.193SC..Hα-helixtrans-63.3-41.3173.9-64.8-47.3000111.5T465 T466 H472 A473T465-D469 HydrophobicContact CG2-CB 3.75Å; T466-D469 WeakPolarHBondContact CB-OD2 3.39Å; T466-D469 PolarHBondContact N-OD2 3.42Å; T466-D469 WeakPolarHBondContact O-CB 3.1Å; T466-D469 PolarHBondContact O-N 3.31Å; T466-D469 PolarHBondContact OG1-N 2.97Å; T466-D469 VanDerWaalsContact OG1-N 3.1Å; T466-D469 PolarHBondContact OG1-OD2 3.47Å; D469-H472 PolarHBondContact O-N 2.92Å; D469-A473 VanDerWaalsContact O-CB 3.27Å; D469-A473 WeakPolarHBondContact O-CB 3.43Å; D469-A473 PolarHBondContact O-N 2.94Å
470I85.5Confident76.2Confident0 Ų038.2 Ų38.20%021%0.213CC..Hα-helixtrans-62-47.7175.2-55.1170.2000109.9F459 H461 T465 T466 V467 H472 A473 T474 M486 L502 L506F459-I470 HydrophobicContact CE1-CG1 4.16Å; F459-I470 HydrophobicContact CE1-CG2 4.15Å; F459-I470 HydrophobicContact CZ-CG1 4.45Å; H461-I470 WeakPolarHBondContact CD2-CD1 3.39Å; T465-I470 HydrophobicContact CG2-CG1 3.63Å; T466-I470 WeakPolarHBondContact O-CG1 3.06Å; T466-I470 PolarHBondContact O-N 2.78Å; V467-I470 PolarHBondContact O-N 2.95Å; I470-H472 VanDerWaalsContact C-N 3.33Å; I470-H472 PolarHBondContact O-N 3.43Å; I470-A473 PolarHBondContact O-N 3.29Å; I470-T474 WeakPolarHBondContact O-CG2 3.09Å; I470-T474 PolarHBondContact O-N 3.23Å; I470-T474 PolarHBondContact O-OG1 3.3Å; I470-M486 HydrophobicContact CD1-CE 4.24Å; I470-M486 HydrophobicContact CG2-CE 4.23Å; I470-L502 HydrophobicContact CD1-CD1 4.21Å; I470-L506 HydrophobicContact CG2-CD1 3.46Å; I470-L506 VanDerWaalsContact CG2-CD1 3.46Å
471I87.4Confident75.7Confident26 Ų2647.3 Ų47.313%0.13325%0.248CC..Hα-helixtrans-57.6-48.6177.7-69.4166.6000110.1L253 K254 V467 S468 T474 F475 L506L253-I471 HydrophobicContact CB-CD1 3.74Å; L253-I471 HydrophobicContact CD1-CD1 4.38Å; K254-I471 HydrophobicContact CB-CG2 4.18Å; K254-I471 HydrophobicContact CG-CG2 4.25Å; V467-I471 HydrophobicContact CG1-CD1 3.98Å; V467-I471 VanDerWaalsContact O-CG1 3.32Å; V467-I471 WeakPolarHBondContact O-CG1 3.48Å; V467-I471 PolarHBondContact O-N 2.96Å; S468-I471 PolarHBondContact O-N 3.42Å; I471-T474 PolarHBondContact O-N 3.44Å; I471-T474 PolarHBondContact O-OG1 2.77Å; I471-F475 PolarHBondContact O-N 2.9Å; I471-F475 VanDerWaalsContact O-N 3.14Å; I471-L506 HydrophobicContact CB-CD2 4.3Å; I471-L506 HydrophobicContact CG1-CD2 3.68Å
472H83.9Confident75.6Confident122 Ų12247.3 Ų47.357%0.56525%0.249SC*.Hα-helixtrans-63.2-45179.5-177.5-94.7000112.2S468 D469 I470 T474 F475 C476S468-H472 WeakPolarHBondContact O-CB 3.47Å; S468-H472 PolarHBondContact O-N 3.39Å; D469-H472 PolarHBondContact O-N 2.92Å; I470-H472 VanDerWaalsContact C-N 3.33Å; I470-H472 PolarHBondContact O-N 3.43Å; H472-T474 VanDerWaalsContact C-N 3.34Å; H472-T474 PolarHBondContact O-N 3.03Å; H472-F475 WeakPolarHBondContact O-CB 3.3Å; H472-F475 PolarHBondContact O-N 3.38Å; H472-F475 VanDerWaalsContact O-N 3.12Å; H472-C476 PolarHBondContact CE1-SG 3.47Å; H472-C476 PolarHBondContact O-N 3.41Å; H472-C476 PolarHBondContact O-SG 2.86Å
473A77.8Confident75.8Confident12 Ų1247.4 Ų47.410%0.09925%0.249CC..Hα-helixtrans-57.8-47.2176.900000111F459 D469 I470 F475 C476 Y477F459-A473 HydrophobicContact CE2-CB 4.24Å; F459-A473 HydrophobicContact CZ-CB 4.46Å; D469-A473 VanDerWaalsContact O-CB 3.27Å; D469-A473 WeakPolarHBondContact O-CB 3.43Å; D469-A473 PolarHBondContact O-N 2.94Å; I470-A473 PolarHBondContact O-N 3.29Å; A473-F475 VanDerWaalsContact C-N 3.26Å; A473-F475 PolarHBondContact O-N 3.35Å; A473-C476 PolarHBondContact O-N 2.85Å; A473-Y477 WeakPolarHBondContact O-CD2 3.46Å; A473-Y477 PolarHBondContact O-N 3.41Å
474T76.5Confident76.1Confident4 Ų447.5 Ų47.53%0.02525%0.25CS..Hα-helixtrans-61.3-35.3177.863.10000112.6I470 I471 H472 Q478 L506 L508I470-T474 WeakPolarHBondContact O-CG2 3.09Å; I470-T474 PolarHBondContact O-N 3.23Å; I470-T474 PolarHBondContact O-OG1 3.3Å; I471-T474 PolarHBondContact O-N 3.44Å; I471-T474 PolarHBondContact O-OG1 2.77Å; H472-T474 VanDerWaalsContact C-N 3.34Å; H472-T474 PolarHBondContact O-N 3.03Å; T474-Q478 WeakPolarHBondContact O-CB 2.92Å; T474-Q478 WeakPolarHBondContact O-CG 3.01Å; T474-Q478 PolarHBondContact O-N 2.84Å; T474-L506 HydrophobicContact CG2-CB 4.38Å; T474-L506 HydrophobicContact CG2-CD1 4.05Å; T474-L506 HydrophobicContact CG2-CD2 4.16Å; T474-L506 HydrophobicContact CG2-CG 4.42Å; T474-L508 HydrophobicContact CG2-CD2 3.83Å
475F75.6Confident76.3Confident152 Ų15245 Ų4567%0.66724%0.239SC*.Hα-helixtrans-64.8-47.5176.1-171.9-97.4000112.3I471 H472 A473 Y477 Q478 G479I471-F475 PolarHBondContact O-N 2.9Å; I471-F475 VanDerWaalsContact O-N 3.14Å; H472-F475 WeakPolarHBondContact O-CB 3.3Å; H472-F475 PolarHBondContact O-N 3.38Å; H472-F475 VanDerWaalsContact O-N 3.12Å; A473-F475 VanDerWaalsContact C-N 3.26Å; A473-F475 PolarHBondContact O-N 3.35Å; F475-Y477 VanDerWaalsContact C-N 3.28Å; F475-Y477 PolarHBondContact O-N 3.27Å; F475-Q478 PolarHBondContact O-N 2.76Å; F475-G479 PolarHBondContact O-N 3.33Å
476C65.9Low76.4Confident55 Ų5544.3 Ų44.337%0.37223%0.234SC..Hα-helixtrans-57.1-41.5178.6-67.30000112.2H472 A473H472-C476 PolarHBondContact CE1-SG 3.47Å; H472-C476 PolarHBondContact O-N 3.41Å; H472-C476 PolarHBondContact O-SG 2.86Å; A473-C476 PolarHBondContact O-N 2.85Å
477Y63.7Low75.9Confident24 Ų2444.7 Ų44.79%0.09424%0.236CC..Hα-helixtrans-87.3-31.5-175.9-67.1-68.4000113.6I442 A446 Y457 A473 F475 G479 T480 V484I442-Y477 HydrophobicContact CD1-CD2 3.81Å; I442-Y477 HydrophobicContact CD1-CE1 3.97Å; I442-Y477 HydrophobicContact CD1-CE2 3.16Å; I442-Y477 WeakPolarHBondContact CD1-OH 3.43Å; A446-Y477 PolarHBondContact O-OH 3.45Å; Y457-Y477 HydrophobicContact CD1-CE1 4.33Å; Y457-Y477 AromaticContact CD2-CD1 3.21Å; Y457-Y477 HydrophobicContact CD2-CD1 3.21Å; Y457-Y477 AromaticContact CD2-CE1 3.63Å; Y457-Y477 HydrophobicContact CD2-CE1 3.63Å; Y457-Y477 AromaticContact CD2-CG 3.99Å; Y457-Y477 HydrophobicContact CD2-CG 3.99Å; Y457-Y477 HydrophobicContact CE1-CE1 4.33Å; Y457-Y477 AromaticContact CE2-CD1 3.4Å; Y457-Y477 HydrophobicContact CE2-CD1 3.4Å; Y457-Y477 VanDerWaalsContact CE2-CD1 3.4Å; Y457-Y477 AromaticContact CE2-CE1 3.66Å; Y457-Y477 HydrophobicContact CE2-CE1 3.66Å; Y457-Y477 AromaticContact CG-CD1 3.91Å; Y457-Y477 HydrophobicContact CG-CD1 3.91Å; Y457-Y477 AromaticContact CG-CE1 3.97Å; Y457-Y477 HydrophobicContact CG-CE1 3.97Å; A473-Y477 WeakPolarHBondContact O-CD2 3.46Å; A473-Y477 PolarHBondContact O-N 3.41Å; F475-Y477 VanDerWaalsContact C-N 3.28Å; F475-Y477 PolarHBondContact O-N 3.27Å; Y477-G479 PolarHBondContact O-N 3.44Å; Y477-T480 PolarHBondContact O-N 3.08Å; Y477-T480 PolarHBondContact O-OG1 3.08Å; Y477-V484 HydrophobicContact CG-CG2 4.38Å
478Q63Low74.6Confident52 Ų5244.7 Ų44.724%0.24324%0.236CC..Hα-helixtrans-64.5-30.4174.5-77.1-179.8-15.700112.5T474 F475 T480 G507 R550T474-Q478 WeakPolarHBondContact O-CB 2.92Å; T474-Q478 WeakPolarHBondContact O-CG 3.01Å; T474-Q478 PolarHBondContact O-N 2.84Å; F475-Q478 PolarHBondContact O-N 2.76Å; Q478-T480 VanDerWaalsContact C-N 3.28Å; Q478-T480 PolarHBondContact O-N 3.07Å; Q478-G507 PolarHBondContact NE2-O 3.42Å; Q478-R550 PolarHBondContact O-NH1 3.46Å; Q478-R550 VanDerWaalsContact O-NH1 3.14Å
479G57.5Low72.9Confident69 Ų6945.8 Ų45.871%0.71124%0.239SC*.THydrogen-bonded Turntrans-68.8-16.9175.600000115.3F475 Y477F475-G479 PolarHBondContact O-N 3.33Å; Y477-G479 PolarHBondContact O-N 3.44Å
480T57.4Low70.9Confident75 Ų7544.5 Ų44.546%0.4623%0.231SC..THydrogen-bonded Turntrans-100.120-170.855.30000114.9Y477 Q478 C482Y477-T480 PolarHBondContact O-N 3.08Å; Y477-T480 PolarHBondContact O-OG1 3.08Å; Q478-T480 VanDerWaalsContact C-N 3.28Å; Q478-T480 PolarHBondContact O-N 3.07Å; T480-C482 PolarHBondContact O-N 3.35Å; T480-C482 PolarHBondContact O-SG 3.1Å
481R64.9Low68.7Low217 Ų21745 Ų4582%0.81924%0.235SC*.THydrogen-bonded Turntrans54.86.7-170.1-63.5-173.1179.9-179.40.3114.7R550R481-R550 WeakPolarHBondContact O-CD 3.04Å
482C70.1Confident66.9Low13 Ų1344.3 Ų44.39%0.08823%0.232CC..  trans-81.7153.6175.3-66.30000110.3H455 Y457 T480 R550H455-C482 WeakPolarHBondContact O-CA 3.06Å; Y457-C482 HydrophobicContact CD2-CB 3.95Å; Y457-C482 HydrophobicContact CE2-CB 3.84Å; T480-C482 PolarHBondContact O-N 3.35Å; T480-C482 PolarHBondContact O-SG 3.1Å; C482-R550 PolarHBondContact O-NH1 3.05Å; C482-R550 VanDerWaalsContact O-NH1 3.1Å
483S75.7Confident65.1Low1 Ų138.6 Ų38.61%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-85.4146167.1-53.50000109.8H455 G456 Y457 R550H455-S483 PolarHBondContact O-N 2.78Å; G456-S483 CarbonylContact C-O 3.55Å; G456-S483 WeakPolarHBondContact CA-O 3.37Å; Y457-S483 PolarHBondContact N-O 3.02Å; S483-R550 WeakPolarHBondContact OG-CB 3.27Å
484V78.4Confident64Low8 Ų839 Ų395%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-114.1125.2172.3-178.60000108Y477 L508Y477-V484 HydrophobicContact CG-CG2 4.38Å; V484-L508 HydrophobicContact CB-CD2 4.26Å; V484-L508 HydrophobicContact CG1-CD2 4.27Å
485V80.3Confident62.8Low0 Ų043.4 Ų43.40%024%0.238CC..EExtended strand (participates in β ladder)trans-107.4117172.1-172.40000106.8W268 L439 Y457 V458 F459 Y510 K512W268-V485 HydrophobicContact CD2-CG1 4.46Å; W268-V485 HydrophobicContact CH2-CG2 4.11Å; W268-V485 HydrophobicContact CZ2-CG2 4.04Å; L439-V485 HydrophobicContact CD2-CG2 3.66Å; Y457-V485 PolarHBondContact O-N 3.34Å; V458-V485 WeakPolarHBondContact CA-O 3.19Å; V458-V485 HydrophobicContact CG2-CB 4.35Å; F459-V485 PolarHBondContact N-O 3.01Å; V485-Y510 HydrophobicContact CG2-CD2 4.43Å; V485-K512 HydrophobicContact CG1-CB 4.11Å
486M81.5Confident62.4Low1 Ų138 Ų381%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-82125.7169.3-159.9-176.4-177.800108F459 H461 I470 F499 L502 L508 Y510 V511 K512F459-M486 CarbonylContact O-C 3.59Å; F459-M486 WeakPolarHBondContact O-CA 3.29Å; H461-M486 HydrophobicContact CB-CE 4.42Å; I470-M486 HydrophobicContact CD1-CE 4.24Å; I470-M486 HydrophobicContact CG2-CE 4.23Å; M486-F499 HydrophobicContact CB-CE1 4.44Å; M486-F499 HydrophobicContact CB-CE2 4.34Å; M486-F499 HydrophobicContact CB-CZ 3.69Å; M486-F499 HydrophobicContact CE-CD2 3.74Å; M486-F499 HydrophobicContact CE-CE2 3.44Å; M486-F499 VanDerWaalsContact CE-CE2 3.44Å; M486-F499 HydrophobicContact CE-CZ 4.19Å; M486-F499 HydrophobicContact CG-CE1 4.33Å; M486-F499 HydrophobicContact CG-CE2 3.45Å; M486-F499 VanDerWaalsContact CG-CE2 3.45Å; M486-F499 HydrophobicContact CG-CZ 3.31Å; M486-F499 HydrophobicContact SD-CD2 4.05Å; M486-F499 HydrophobicContact SD-CE1 4.23Å; M486-F499 HydrophobicContact SD-CE2 3.47Å; M486-F499 WeakPolarHBondContact SD-CE2 3.35Å; M486-F499 HydrophobicContact SD-CZ 3.58Å; M486-F499 VanDerWaalsContact SD-CZ 3.58Å; M486-L502 HydrophobicContact CE-CB 4.36Å; M486-L502 HydrophobicContact CE-CD1 4.23Å; M486-L508 HydrophobicContact CB-CD1 3.48Å; M486-L508 VanDerWaalsContact CB-CD1 3.48Å; M486-L508 HydrophobicContact CG-CD1 4.3Å; M486-L508 HydrophobicContact SD-CD1 4.14Å; M486-Y510 PolarHBondContact N-O 2.93Å; M486-V511 CarbonylContact O-C 3.56Å; M486-V511 WeakPolarHBondContact O-CA 3.4Å; M486-K512 PolarHBondContact O-N 3.35Å
487D79.8Confident63Low8 Ų836 Ų364%0.04320%0.204CC..EExtended strand (participates in β ladder)trans-113.2126.2-177.8-174.313000109.6V458 F459 R460 K512V458-D487 HydrophobicContact CG1-CB 3.49Å; V458-D487 VanDerWaalsContact CG1-CB 3.49Å; F459-D487 PolarHBondContact O-N 2.9Å; R460-D487 WeakPolarHBondContact CA-O 3.26Å; R460-D487 HydrophobicContact CG-CB 3.97Å; D487-K512 HydrophobicContact CB-CB 4.14Å; D487-K512 HydrophobicContact CB-CD 4.39Å; D487-K512 VanDerWaalsContact OD1-CD 3.28Å; D487-K512 WeakPolarHBondContact OD1-CD 3.48Å; D487-K512 WeakPolarHBondContact OD1-CE 3.36Å; D487-K512 VanDerWaalsContact OD1-CG 3.32Å; D487-K512 WeakPolarHBondContact OD1-CG 3.43Å; D487-K512 IonicContact OD1-NZ 3.09Å; D487-K512 WeakPolarHBondContact OD2-CD 3.17Å; D487-K512 IonicContact OD2-NZ 3.6Å; D487-K512 PolarHBondContact OD2-NZ 2.95Å
488T64.4Low64.1Low1 Ų135 Ų351%0.00620%0.201CC..  trans-88.2121.8160.464.40000107.6L490 E492 F499 K512 L513 K524T488-L490 PolarHBondContact O-N 3.33Å; T488-E492 VanDerWaalsContact CA-CD 3.48Å; T488-E492 WeakPolarHBondContact CA-OE2 3.48Å; T488-E492 WeakPolarHBondContact CB-OE2 3.34Å; T488-E492 WeakPolarHBondContact CG2-OE2 3.47Å; T488-F499 HydrophobicContact CG2-CB 4.19Å; T488-F499 HydrophobicContact CG2-CD1 3.49Å; T488-F499 VanDerWaalsContact CG2-CD1 3.49Å; T488-F499 HydrophobicContact CG2-CD2 3.23Å; T488-F499 HydrophobicContact CG2-CE1 3.52Å; T488-F499 HydrophobicContact CG2-CE2 3.2Å; T488-F499 HydrophobicContact CG2-CG 3.34Å; T488-F499 HydrophobicContact CG2-CZ 3.34Å; T488-K512 PolarHBondContact N-O 3.43Å; T488-K512 PolarHBondContact OG1-O 3.4Å; T488-L513 HydrophobicContact CG2-CD2 4.3Å; T488-K524 VanDerWaalsContact CB-NZ 3.32Å; T488-K524 HydrophobicContact CG2-CD 3.99Å; T488-K524 PolarHBondContact OG1-NZ 3.46Å
489M54Low65.2Low55 Ų5533 Ų3327%0.27119%0.192SC..  trans-50.6150.6174.2-76.5-128.8-161.500111.1R460 S491 E492R460-M489 VanDerWaalsContact NH1-CE 3.32Å; M489-S491 PolarHBondContact O-N 3.46Å; M489-E492 HydrophobicContact CB-CG 3.84Å; M489-E492 VanDerWaalsContact N-CD 3.35Å; M489-E492 PolarHBondContact N-OE1 3.03Å; M489-E492 PolarHBondContact O-N 3.27Å
490L45Very low66.8Low39 Ų3929.9 Ų29.920%0.20416%0.159CC..THydrogen-bonded Turntrans-54.91.4160-70.7178000114.4E287 H331 N332 V334 T488E287-L490 HydrophobicContact CG-CD1 4.43Å; E287-L490 WeakPolarHBondContact OE1-CD1 3.43Å; H331-L490 PolarHBondContact NE2-O 2.99Å; N332-L490 PolarHBondContact ND2-O 3.16Å; V334-L490 HydrophobicContact CG2-CD2 3.48Å; V334-L490 VanDerWaalsContact CG2-CD2 3.48Å; T488-L490 PolarHBondContact O-N 3.33Å
491S40.4Very low68.5Low12 Ų1226.6 Ų26.68%0.08414%0.138CC..THydrogen-bonded Turntrans-129.4-0.3176.662.30000113.3M489 S493M489-S491 PolarHBondContact O-N 3.46Å; S491-S493 PolarHBondContact O-N 3.11Å; S491-S493 PolarHBondContact O-OG 2.86Å
492E48.9Very low69.8Low11 Ų1116.4 Ų16.45%0.05110%0.1CC..  trans-68.6123.1176.1-74.9-171.7-169.800109.4V105 T488 M489V105-E492 VanDerWaalsContact O-CG 3.28Å; V105-E492 WeakPolarHBondContact O-CG 3.45Å; T488-E492 VanDerWaalsContact CA-CD 3.48Å; T488-E492 WeakPolarHBondContact CA-OE2 3.48Å; T488-E492 WeakPolarHBondContact CB-OE2 3.34Å; T488-E492 WeakPolarHBondContact CG2-OE2 3.47Å; M489-E492 HydrophobicContact CB-CG 3.84Å; M489-E492 VanDerWaalsContact N-CD 3.35Å; M489-E492 PolarHBondContact N-OE1 3.03Å; M489-E492 PolarHBondContact O-N 3.27Å
493S47.3Very low70.8Confident1 Ų115.8 Ų15.81%0.00710%0.096CC..  trans-12285.1-172.831.60000110.7S77 I83 S491 E520S77-S493 WeakPolarHBondContact CB-OG 3.39Å; S77-S493 WeakPolarHBondContact OG-CB 3.39Å; S77-S493 PolarHBondContact OG-OG 3.48Å; I83-S493 VanDerWaalsContact CD1-O 3.22Å; I83-S493 WeakPolarHBondContact CD1-O 3.47Å; S491-S493 PolarHBondContact O-N 3.11Å; S491-S493 PolarHBondContact O-OG 2.86Å; S493-E520 VanDerWaalsContact C-OE1 3.31Å; S493-E520 VanDerWaalsContact CA-OE1 3.29Å; S493-E520 WeakPolarHBondContact CA-OE1 3.35Å; S493-E520 WeakPolarHBondContact CA-OE2 3.3Å; S493-E520 WeakPolarHBondContact CB-OE1 3.35Å; S493-E520 WeakPolarHBondContact CB-OE2 3.44Å
494S52.6Low71.6Confident21 Ų2115.9 Ų15.915%0.14710%0.096CC..  trans-133.4120.7162.772.10000107.6A103 D496A103-S494 VanDerWaalsContact O-CB 3.25Å; A103-S494 WeakPolarHBondContact O-CB 3.24Å; S494-D496 PolarHBondContact O-N 3.37Å
495S52.7Low72.2Confident97 Ų9715.6 Ų15.668%0.67810%0.095SC*.  trans-64.5-7.4174.6600000113.3
496D67.6Low72.6Confident39 Ų3915.7 Ų15.721%0.20910%0.096CC..  trans-83.7119.6-178.5-172.820.9000111.6K236 S494 S498K236-D496 WeakPolarHBondContact CE-OD2 3.16Å; K236-D496 IonicContact NZ-OD1 3.08Å; K236-D496 PolarHBondContact NZ-OD1 2.94Å; K236-D496 IonicContact NZ-OD2 2.85Å; K236-D496 PolarHBondContact NZ-OD2 2.95Å; S494-D496 PolarHBondContact O-N 3.37Å; D496-S498 PolarHBondContact O-N 3.02Å; D496-S498 PolarHBondContact OD1-OG 2.81Å; D496-S498 VanDerWaalsContact OD1-OG 3.09Å; D496-S498 WeakPolarHBondContact OD2-CB 3.34Å; D496-S498 PolarHBondContact OD2-OG 2.82Å
497G77.2Confident73Confident11 Ų1116.6 Ų16.611%0.11311%0.105CC..THydrogen-bonded Turntrans-66.43.6178.600000114.9F499 A500 R527G497-F499 PolarHBondContact O-N 2.95Å; G497-A500 WeakPolarHBondContact O-CB 3.34Å; G497-A500 PolarHBondContact O-N 3.27Å; G497-R527 WeakPolarHBondContact O-CG 3.4Å
498S87.2Confident73.3Confident3 Ų316.3 Ų16.32%0.02110%0.104CC..Hα-helixtrans-52.7-24.9-178.1-700000114.8D496 A500 D501 L502D496-S498 PolarHBondContact O-N 3.02Å; D496-S498 PolarHBondContact OD1-OG 2.81Å; D496-S498 VanDerWaalsContact OD1-OG 3.09Å; D496-S498 WeakPolarHBondContact OD2-CB 3.34Å; D496-S498 PolarHBondContact OD2-OG 2.82Å; S498-A500 VanDerWaalsContact C-N 3.32Å; S498-A500 PolarHBondContact O-N 3.06Å; S498-D501 WeakPolarHBondContact O-CB 3.43Å; S498-D501 PolarHBondContact O-N 3.45Å; S498-L502 WeakPolarHBondContact O-CG 3.41Å; S498-L502 PolarHBondContact O-N 2.87Å
499F87.1Confident74.4Confident12 Ų1217.1 Ų17.15%0.05311%0.108CC..Hα-helixtrans-60.4-40.9173.5-175.4-86000112.5M486 T488 G497 D501 L502 A503 V511 L513M486-F499 HydrophobicContact CB-CE1 4.44Å; M486-F499 HydrophobicContact CB-CE2 4.34Å; M486-F499 HydrophobicContact CB-CZ 3.69Å; M486-F499 HydrophobicContact CE-CD2 3.74Å; M486-F499 HydrophobicContact CE-CE2 3.44Å; M486-F499 VanDerWaalsContact CE-CE2 3.44Å; M486-F499 HydrophobicContact CE-CZ 4.19Å; M486-F499 HydrophobicContact CG-CE1 4.33Å; M486-F499 HydrophobicContact CG-CE2 3.45Å; M486-F499 VanDerWaalsContact CG-CE2 3.45Å; M486-F499 HydrophobicContact CG-CZ 3.31Å; M486-F499 HydrophobicContact SD-CD2 4.05Å; M486-F499 HydrophobicContact SD-CE1 4.23Å; M486-F499 HydrophobicContact SD-CE2 3.47Å; M486-F499 WeakPolarHBondContact SD-CE2 3.35Å; M486-F499 HydrophobicContact SD-CZ 3.58Å; M486-F499 VanDerWaalsContact SD-CZ 3.58Å; T488-F499 HydrophobicContact CG2-CB 4.19Å; T488-F499 HydrophobicContact CG2-CD1 3.49Å; T488-F499 VanDerWaalsContact CG2-CD1 3.49Å; T488-F499 HydrophobicContact CG2-CD2 3.23Å; T488-F499 HydrophobicContact CG2-CE1 3.52Å; T488-F499 HydrophobicContact CG2-CE2 3.2Å; T488-F499 HydrophobicContact CG2-CG 3.34Å; T488-F499 HydrophobicContact CG2-CZ 3.34Å; G497-F499 PolarHBondContact O-N 2.95Å; F499-D501 VanDerWaalsContact C-N 3.32Å; F499-D501 PolarHBondContact O-N 3.48Å; F499-L502 PolarHBondContact O-N 3.06Å; F499-A503 PolarHBondContact O-N 2.8Å; F499-V511 HydrophobicContact CE1-CB 4.22Å; F499-V511 HydrophobicContact CE1-CG1 4.1Å; F499-L513 HydrophobicContact CD1-CD2 3.51Å; F499-L513 HydrophobicContact CE1-CD2 3.43Å; F499-L513 VanDerWaalsContact CE1-CD2 3.43Å
500A90.9Very high76Confident2 Ų214.5 Ų14.52%0.01710%0.095CC..Hα-helixtrans-64.9-39.7176.400000111G497 S498 A503 V504 R527 L528 I531G497-A500 WeakPolarHBondContact O-CB 3.34Å; G497-A500 PolarHBondContact O-N 3.27Å; S498-A500 VanDerWaalsContact C-N 3.32Å; S498-A500 PolarHBondContact O-N 3.06Å; A500-A503 PolarHBondContact O-N 2.8Å; A500-V504 VanDerWaalsContact O-CG2 3.28Å; A500-V504 WeakPolarHBondContact O-CG2 3.2Å; A500-V504 PolarHBondContact O-N 2.79Å; A500-V504 VanDerWaalsContact O-N 3.09Å; A500-R527 HydrophobicContact CB-CB 4.03Å; A500-R527 HydrophobicContact CB-CG 3.89Å; A500-L528 HydrophobicContact CB-CB 4.1Å; A500-L528 HydrophobicContact CB-CD1 3.99Å; A500-I531 HydrophobicContact CB-CD1 4.28Å
501D93.3Very high78.2Confident6 Ų612.7 Ų12.73%0.0329%0.086CC..Hα-helixtrans-63.4-43.5174.5-73.6-96.9000112.4L246 Y247 S498 F499 G505 R527 I531L246-D501 HydrophobicContact CB-CB 3.88Å; L246-D501 HydrophobicContact CD2-CB 3.76Å; L246-D501 HydrophobicContact CG-CB 3.81Å; Y247-D501 WeakPolarHBondContact CA-O 3.43Å; Y247-D501 WeakPolarHBondContact CB-O 3.4Å; Y247-D501 WeakPolarHBondContact CD1-OD1 3.31Å; Y247-D501 PolarHBondContact N-OD1 3.42Å; Y247-D501 VanDerWaalsContact N-OD1 3.13Å; S498-D501 WeakPolarHBondContact O-CB 3.43Å; S498-D501 PolarHBondContact O-N 3.45Å; F499-D501 VanDerWaalsContact C-N 3.32Å; F499-D501 PolarHBondContact O-N 3.48Å; D501-G505 PolarHBondContact O-N 2.84Å; D501-R527 IonicContact OD1-CZ 3.75Å; D501-R527 IonicContact OD1-NE 3.58Å; D501-R527 IonicContact OD1-NH2 3.8Å; D501-R527 PolarHBondContact OD1-NH2 3.36Å; D501-R527 WeakPolarHBondContact OD2-CG 3.38Å; D501-R527 IonicContact OD2-CZ 2.79Å; D501-R527 IonicContact OD2-NE 3.95Å; D501-R527 PolarHBondContact OD2-NE 2.93Å; D501-R527 IonicContact OD2-NH2 2.79Å; D501-I531 HydrophobicContact CB-CD1 4.44Å
502L91.1Very high80.6Confident4 Ų412.3 Ų12.32%0.0218%0.083CC..Hα-helixtrans-57.8-51.7175-77167.4000110.4L232 I250 V467 I470 M486 S498 F499 V504 G505 L506L232-L502 HydrophobicContact CD1-CD1 4.27Å; I250-L502 HydrophobicContact CD1-CD2 3.7Å; I250-L502 HydrophobicContact CG1-CD2 3.95Å; I250-L502 HydrophobicContact CG2-CD2 4.26Å; V467-L502 HydrophobicContact CG1-CD2 4.36Å; I470-L502 HydrophobicContact CD1-CD1 4.21Å; M486-L502 HydrophobicContact CE-CB 4.36Å; M486-L502 HydrophobicContact CE-CD1 4.23Å; S498-L502 WeakPolarHBondContact O-CG 3.41Å; S498-L502 PolarHBondContact O-N 2.87Å; F499-L502 PolarHBondContact O-N 3.06Å; L502-V504 PolarHBondContact O-N 3.33Å; L502-G505 PolarHBondContact O-N 2.71Å; L502-L506 HydrophobicContact CB-CD1 4.4Å; L502-L506 VanDerWaalsContact O-CB 3.25Å; L502-L506 WeakPolarHBondContact O-CB 3.48Å; L502-L506 VanDerWaalsContact O-CD1 3.31Å; L502-L506 WeakPolarHBondContact O-CD1 3.38Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 3.39Å
503A90.6Very high82.3Confident0 Ų011.9 Ų11.90%08%0.081CC..Hα-helixtrans-61.9-41.8-17700000113.6P265 F499 A500 G507 L508 V511P265-A503 HydrophobicContact CG-CB 4.09Å; F499-A503 PolarHBondContact O-N 2.8Å; A500-A503 PolarHBondContact O-N 2.8Å; A503-G507 PolarHBondContact O-N 2.83Å; A503-L508 HydrophobicContact CB-CD1 4.17Å; A503-L508 PolarHBondContact O-N 3.27Å; A503-L508 VanDerWaalsContact O-N 3.1Å; A503-V511 HydrophobicContact CB-CG1 3.23Å
504V92.9Very high84.2Confident2 Ų211.9 Ų11.91%0.0128%0.081CC..Hα-helixtrans-68-45.9176.3174.70000110.7Y247 F262 P265 A500 L502 L506 G507 L528 I531 L535Y247-V504 HydrophobicContact CD2-CG1 4.22Å; Y247-V504 HydrophobicContact CG-CG1 4.26Å; F262-V504 HydrophobicContact CD1-CG1 4.13Å; P265-V504 HydrophobicContact CG-CG2 4.49Å; A500-V504 VanDerWaalsContact O-CG2 3.28Å; A500-V504 WeakPolarHBondContact O-CG2 3.2Å; A500-V504 PolarHBondContact O-N 2.79Å; A500-V504 VanDerWaalsContact O-N 3.09Å; L502-V504 PolarHBondContact O-N 3.33Å; V504-L506 VanDerWaalsContact C-N 3.3Å; V504-L506 PolarHBondContact O-N 3.41Å; V504-G507 PolarHBondContact O-N 3.13Å; V504-L528 HydrophobicContact CG2-CD1 3.79Å; V504-I531 HydrophobicContact CB-CG2 4.31Å; V504-I531 HydrophobicContact CG1-CG2 3.89Å; V504-I531 HydrophobicContact CG2-CD1 4.3Å; V504-I531 HydrophobicContact CG2-CG2 3.95Å; V504-L535 HydrophobicContact CG1-CD1 4.27Å
505G92.3Very high86Confident3 Ų310.9 Ų10.93%0.0317%0.074CC..Hα-helixtrans-64.8-33.4179.800000113.5Y247 S251 D501 L502 G507Y247-G505 WeakPolarHBondContact O-CA 3.46Å; S251-G505 VanDerWaalsContact CA-O 3.29Å; S251-G505 WeakPolarHBondContact CA-O 3.37Å; S251-G505 WeakPolarHBondContact CB-O 3.31Å; D501-G505 PolarHBondContact O-N 2.84Å; L502-G505 PolarHBondContact O-N 2.71Å; G505-G507 PolarHBondContact O-N 3.38Å
506L88.9Confident87.7Confident1 Ų17.6 Ų7.61%0.0055%0.048CC..THydrogen-bonded Turntrans-75.7-12.2173.3-67.1164.9000112.7I250 K254 I470 I471 T474 L502 V504 L508I250-L506 HydrophobicContact CG2-CD2 4.24Å; I250-L506 HydrophobicContact CG2-CG 4.06Å; K254-L506 PolarHBondContact NZ-O 3.28Å; I470-L506 HydrophobicContact CG2-CD1 3.46Å; I470-L506 VanDerWaalsContact CG2-CD1 3.46Å; I471-L506 HydrophobicContact CB-CD2 4.3Å; I471-L506 HydrophobicContact CG1-CD2 3.68Å; T474-L506 HydrophobicContact CG2-CB 4.38Å; T474-L506 HydrophobicContact CG2-CD1 4.05Å; T474-L506 HydrophobicContact CG2-CD2 4.16Å; T474-L506 HydrophobicContact CG2-CG 4.42Å; L502-L506 HydrophobicContact CB-CD1 4.4Å; L502-L506 VanDerWaalsContact O-CB 3.25Å; L502-L506 WeakPolarHBondContact O-CB 3.48Å; L502-L506 VanDerWaalsContact O-CD1 3.31Å; L502-L506 WeakPolarHBondContact O-CD1 3.38Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 3.39Å; V504-L506 VanDerWaalsContact C-N 3.3Å; V504-L506 PolarHBondContact O-N 3.41Å; L506-L508 HydrophobicContact CB-CD2 4.24Å; L506-L508 HydrophobicContact CB-CG 3.94Å; L506-L508 HydrophobicContact CD1-CD1 4.48Å
507G88.7Confident88.5Confident20 Ų206.5 Ų6.521%0.2065%0.046CC..THydrogen-bonded Turntrans62.845.9-177.800000112.5H263 Q478 A503 V504 G505H263-G507 VanDerWaalsContact CE1-CA 3.49Å; H263-G507 WeakPolarHBondContact CE1-CA 3.33Å; H263-G507 PolarHBondContact CE1-O 3.15Å; H263-G507 VanDerWaalsContact CE1-O 3.29Å; H263-G507 PolarHBondContact NE2-O 3.09Å; Q478-G507 PolarHBondContact NE2-O 3.42Å; A503-G507 PolarHBondContact O-N 2.83Å; V504-G507 PolarHBondContact O-N 3.13Å; G505-G507 PolarHBondContact O-N 3.38Å
508L87.1Confident88.7Confident2 Ų27.3 Ų7.31%0.016%0.055CC..  trans-77.8146177.6-60.9-176.7000111.9H263 P265 T474 V484 M486 A503 L506H263-L508 PolarHBondContact NE2-O 2.84Å; P265-L508 WeakPolarHBondContact CB-O 3.36Å; T474-L508 HydrophobicContact CG2-CD2 3.83Å; V484-L508 HydrophobicContact CB-CD2 4.26Å; V484-L508 HydrophobicContact CG1-CD2 4.27Å; M486-L508 HydrophobicContact CB-CD1 3.48Å; M486-L508 VanDerWaalsContact CB-CD1 3.48Å; M486-L508 HydrophobicContact CG-CD1 4.3Å; M486-L508 HydrophobicContact SD-CD1 4.14Å; A503-L508 HydrophobicContact CB-CD1 4.17Å; A503-L508 PolarHBondContact O-N 3.27Å; A503-L508 VanDerWaalsContact O-N 3.1Å; L506-L508 HydrophobicContact CB-CD2 4.24Å; L506-L508 HydrophobicContact CB-CG 3.94Å; L506-L508 HydrophobicContact CD1-CD1 4.48Å
509D85.8Confident88.5Confident18 Ų1810.6 Ų10.610%0.0968%0.082CC..SBendtrans-74.3-33.7176.4-67.1-48.2000112.5P265 V266 K544 L549P265-D509 WeakPolarHBondContact CA-O 3.41Å; V266-D509 PolarHBondContact N-O 3.32Å; D509-K544 IonicContact OD1-NZ 2.6Å; D509-K544 PolarHBondContact OD1-NZ 3.46Å; D509-L549 HydrophobicContact CB-CD2 3.79Å; D509-L549 WeakPolarHBondContact OD1-CD2 3.46Å
510Y88.6Confident88.1Confident0 Ų010.5 Ų10.50%08%0.082CC..EExtended strand (participates in β ladder)trans-141.9144.7-169-56.7-72.1000111.5V266 W268 V485 M486 L549 L551V266-Y510 HydrophobicContact CB-CD1 3.92Å; V266-Y510 HydrophobicContact CB-CE1 4.22Å; V266-Y510 WeakPolarHBondContact O-CA 3.25Å; W268-Y510 AromaticContact CD1-CD1 3.93Å; W268-Y510 HydrophobicContact CZ2-CD1 4.45Å; W268-Y510 HydrophobicContact CZ2-CG 4.36Å; W268-Y510 AromaticContact NE1-CD1 3.13Å; W268-Y510 AromaticContact NE1-CE1 3.86Å; W268-Y510 AromaticContact NE1-CG 3.57Å; V485-Y510 HydrophobicContact CG2-CD2 4.43Å; M486-Y510 PolarHBondContact N-O 2.93Å; Y510-L549 HydrophobicContact CE1-CD1 3.85Å; Y510-L549 WeakPolarHBondContact OH-CB 3.49Å; Y510-L551 HydrophobicContact CE2-CB 3.76Å; Y510-L551 HydrophobicContact CE2-CD1 4.23Å; Y510-L551 HydrophobicContact CE2-CG 4.48Å; Y510-L551 VanDerWaalsContact OH-CB 3.3Å; Y510-L551 WeakPolarHBondContact OH-CB 3.32Å
511V90.8Very high87.7Confident1 Ų110.5 Ų10.51%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-133.1137.7170.4-71.70000109.9P265 V266 P267 W268 M486 F499 A503 L513 L528P265-V511 HydrophobicContact CB-CB 4.38Å; P265-V511 HydrophobicContact CB-CG1 3.81Å; P265-V511 HydrophobicContact CB-CG2 3.97Å; P265-V511 HydrophobicContact CG-CB 4.4Å; P265-V511 HydrophobicContact CG-CG1 3.67Å; P265-V511 HydrophobicContact CG-CG2 3.85Å; V266-V511 PolarHBondContact O-N 2.85Å; P267-V511 CarbonylContact C-O 3.55Å; P267-V511 WeakPolarHBondContact CA-O 3.42Å; P267-V511 HydrophobicContact CB-CG2 4.49Å; W268-V511 WeakPolarHBondContact CB-O 3.49Å; W268-V511 PolarHBondContact N-O 3.18Å; M486-V511 CarbonylContact O-C 3.56Å; M486-V511 WeakPolarHBondContact O-CA 3.4Å; F499-V511 HydrophobicContact CE1-CB 4.22Å; F499-V511 HydrophobicContact CE1-CG1 4.1Å; A503-V511 HydrophobicContact CB-CG1 3.23Å; V511-L513 HydrophobicContact CB-CD2 4.19Å; V511-L513 HydrophobicContact CB-CG 4.25Å; V511-L513 HydrophobicContact CG2-CD1 4.01Å; V511-L513 HydrophobicContact CG2-CD2 4.26Å; V511-L513 HydrophobicContact CG2-CG 3.94Å; V511-L528 HydrophobicContact CG2-CD2 4.15Å
512K90.7Very high87.6Confident5 Ų512.8 Ų12.82%0.0229%0.093CC..EExtended strand (participates in β ladder)trans-104.9115.8170.9-178.6-179.5158.4-149.50108.5W268 E287 I289 V485 M486 D487 T488W268-K512 HydrophobicContact CB-CB 3.94Å; W268-K512 HydrophobicContact CB-CG 4.2Å; E287-K512 IonicContact OE1-NZ 3.44Å; E287-K512 WeakPolarHBondContact OE2-CE 3.43Å; E287-K512 IonicContact OE2-NZ 2.87Å; E287-K512 PolarHBondContact OE2-NZ 3.09Å; I289-K512 HydrophobicContact CD1-CD 3.96Å; V485-K512 HydrophobicContact CG1-CB 4.11Å; M486-K512 PolarHBondContact O-N 3.35Å; D487-K512 HydrophobicContact CB-CB 4.14Å; D487-K512 HydrophobicContact CB-CD 4.39Å; D487-K512 VanDerWaalsContact OD1-CD 3.28Å; D487-K512 WeakPolarHBondContact OD1-CD 3.48Å; D487-K512 WeakPolarHBondContact OD1-CE 3.36Å; D487-K512 VanDerWaalsContact OD1-CG 3.32Å; D487-K512 WeakPolarHBondContact OD1-CG 3.43Å; D487-K512 IonicContact OD1-NZ 3.09Å; D487-K512 WeakPolarHBondContact OD2-CD 3.17Å; D487-K512 IonicContact OD2-NZ 3.6Å; D487-K512 PolarHBondContact OD2-NZ 2.95Å; T488-K512 PolarHBondContact N-O 3.43Å; T488-K512 PolarHBondContact OG1-O 3.4Å
513L85.9Confident87.4Confident1 Ų113.8 Ų13.81%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-112.66.7-168.6-62.9-179.2000113.3W268 T488 F499 V511 T521 K524 Y525 L528W268-L513 PolarHBondContact O-N 2.94Å; T488-L513 HydrophobicContact CG2-CD2 4.3Å; F499-L513 HydrophobicContact CD1-CD2 3.51Å; F499-L513 HydrophobicContact CE1-CD2 3.43Å; F499-L513 VanDerWaalsContact CE1-CD2 3.43Å; V511-L513 HydrophobicContact CB-CD2 4.19Å; V511-L513 HydrophobicContact CB-CG 4.25Å; V511-L513 HydrophobicContact CG2-CD1 4.01Å; V511-L513 HydrophobicContact CG2-CD2 4.26Å; V511-L513 HydrophobicContact CG2-CG 3.94Å; L513-T521 WeakPolarHBondContact O-CG2 3.33Å; L513-K524 HydrophobicContact CD1-CB 4.43Å; L513-K524 HydrophobicContact CD2-CB 4.2Å; L513-K524 HydrophobicContact CD2-CD 4.45Å; L513-Y525 HydrophobicContact CB-CE1 4.01Å; L513-Y525 HydrophobicContact CB-CE2 3.9Å; L513-Y525 HydrophobicContact CD1-CD1 3.83Å; L513-Y525 HydrophobicContact CD1-CE1 3.81Å; L513-Y525 HydrophobicContact CD1-CG 4.3Å; L513-Y525 HydrophobicContact CG-CE1 4.48Å; L513-L528 HydrophobicContact CD1-CD2 4.24Å
514G86.6Confident87.4Confident1 Ų113.9 Ų13.91%0.0110%0.102CC..EExtended strand (participates in β ladder)trans83.5-153.7-177.200000113.7T270 Y525T270-G514 PolarHBondContact N-O 3.33Å; G514-Y525 PolarHBondContact O-OH 3.12Å; G514-Y525 VanDerWaalsContact O-OH 3.06Å
515G89.5Confident87.4Confident0 Ų013.8 Ų13.80%010%0.102CC..  trans-80.3-157.5-175.800000114.3T270 N332 T521 Y525T270-G515 WeakPolarHBondContact O-CA 3.13Å; N332-G515 CarbonylContact O-C 3.53Å; N332-G515 VanDerWaalsContact O-C 3.28Å; N332-G515 WeakPolarHBondContact O-CA 3.33Å; G515-T521 WeakPolarHBondContact O-CG2 3.38Å; G515-Y525 VanDerWaalsContact O-CE2 3.24Å; G515-Y525 WeakPolarHBondContact O-CE2 3.37Å
516L88.8Confident87.5Confident28 Ų2817.7 Ų17.715%0.14712%0.122CC..SBendtrans-122.351.6-179-63.1178.6000111.8I269 V302 A305 C306 N332 Y525I269-L516 HydrophobicContact CD1-CD2 4.43Å; I269-L516 HydrophobicContact CG2-CD1 4.13Å; I269-L516 HydrophobicContact CG2-CD2 3.75Å; I269-L516 HydrophobicContact CG2-CG 3.68Å; V302-L516 HydrophobicContact CG1-CD2 4.06Å; A305-L516 HydrophobicContact CB-CD1 3.66Å; C306-L516 HydrophobicContact CB-CD1 4.06Å; C306-L516 VanDerWaalsContact N-CD1 3.34Å; N332-L516 PolarHBondContact O-N 3.35Å; L516-Y525 HydrophobicContact CD2-CD2 4.49Å; L516-Y525 HydrophobicContact CD2-CE2 4.04Å
517G84.3Confident87.8Confident16 Ų1620.4 Ų20.417%0.16513%0.132CC..  trans-161.2166.7176.800000111.2H331 N332 T521H331-G517 CarbonylContact O-C 3.1Å; N332-G517 CarbonylContact C-O 3.53Å; N332-G517 VanDerWaalsContact CA-O 3.25Å; N332-G517 WeakPolarHBondContact CA-O 3.47Å; N332-G517 PolarHBondContact O-N 3.17Å; G517-T521 WeakPolarHBondContact O-CB 3.38Å; G517-T521 PolarHBondContact O-OG1 3Å
518G81.4Confident88.1Confident28 Ų2819.5 Ų19.529%0.28912%0.122SC..SBendtrans82.5143.6-17200000112.1E78 H331 M522E78-G518 WeakPolarHBondContact OE2-CA 3.33Å; H331-G518 WeakPolarHBondContact O-CA 3.35Å; H331-G518 PolarHBondContact O-N 3.36Å; G518-M522 WeakPolarHBondContact O-CB 3.38Å; G518-M522 VanDerWaalsContact O-CG 3.26Å; G518-M522 WeakPolarHBondContact O-CG 3.42Å; G518-M522 PolarHBondContact O-N 2.74Å; G518-M522 VanDerWaalsContact O-N 3.1Å
519A82.5Confident88.5Confident72 Ų7220.5 Ų20.560%0.59513%0.127SC*.Hα-helixtrans-72.2-33.7-176.800000111.4E78 A523E78-A519 WeakPolarHBondContact OE1-CA 3.48Å; E78-A519 WeakPolarHBondContact OE1-CB 3.34Å; E78-A519 PolarHBondContact OE1-N 2.98Å; E78-A519 PolarHBondContact OE2-N 3.38Å; A519-A523 WeakPolarHBondContact O-CB 3.37Å; A519-A523 PolarHBondContact O-N 3.19Å
520E78.5Confident89.1Confident11 Ų1121.9 Ų21.95%0.05114%0.138CC..Hα-helixtrans-64.3-48.7176.6-72.9173.9161.400112E78 S493 A523 K524E78-E520 HydrophobicContact CB-CG 4.5Å; E78-E520 WeakPolarHBondContact CB-OE2 3.28Å; E78-E520 VanDerWaalsContact CD-CG 3.43Å; E78-E520 HydrophobicContact CG-CB 4.43Å; E78-E520 HydrophobicContact CG-CG 3.68Å; E78-E520 WeakPolarHBondContact CG-OE2 3.49Å; E78-E520 PolarHBondContact N-OE1 3.39Å; E78-E520 WeakPolarHBondContact OE1-CG 3.46Å; E78-E520 PolarHBondContact OE1-N 3.49Å; S493-E520 VanDerWaalsContact C-OE1 3.31Å; S493-E520 VanDerWaalsContact CA-OE1 3.29Å; S493-E520 WeakPolarHBondContact CA-OE1 3.35Å; S493-E520 WeakPolarHBondContact CA-OE2 3.3Å; S493-E520 WeakPolarHBondContact CB-OE1 3.35Å; S493-E520 WeakPolarHBondContact CB-OE2 3.44Å; E520-A523 PolarHBondContact O-N 2.86Å; E520-K524 PolarHBondContact O-N 2.82Å
521T84.1Confident89.4Confident2 Ų221.9 Ų21.91%0.01214%0.138CC..Hα-helixtrans-62.6-47176.5-62.10000110.4N332 L513 G515 G517 A523 K524 Y525N332-T521 PolarHBondContact OD1-OG1 3.5Å; L513-T521 WeakPolarHBondContact O-CG2 3.33Å; G515-T521 WeakPolarHBondContact O-CG2 3.38Å; G517-T521 WeakPolarHBondContact O-CB 3.38Å; G517-T521 PolarHBondContact O-OG1 3Å; T521-A523 VanDerWaalsContact C-N 3.32Å; T521-A523 PolarHBondContact O-N 3.22Å; T521-K524 WeakPolarHBondContact O-CB 3.45Å; T521-K524 PolarHBondContact O-N 3.49Å; T521-Y525 HydrophobicContact CG2-CD2 3.99Å; T521-Y525 HydrophobicContact CG2-CE2 3.62Å; T521-Y525 VanDerWaalsContact O-CD2 3.27Å; T521-Y525 WeakPolarHBondContact O-CD2 3.43Å; T521-Y525 PolarHBondContact O-N 3.24Å
522M89.4Confident89.7Confident53 Ų5322.6 Ų22.626%0.26114%0.142SC..Hα-helixtrans-67.4-30.6178.7-69.3-52.9-51.500113.1G518 K524 Y525 N526G518-M522 WeakPolarHBondContact O-CB 3.38Å; G518-M522 VanDerWaalsContact O-CG 3.26Å; G518-M522 WeakPolarHBondContact O-CG 3.42Å; G518-M522 PolarHBondContact O-N 2.74Å; G518-M522 VanDerWaalsContact O-N 3.1Å; M522-K524 VanDerWaalsContact C-N 3.28Å; M522-K524 PolarHBondContact O-N 3.33Å; M522-Y525 PolarHBondContact O-N 2.67Å; M522-Y525 HydrophobicContact SD-CD2 4.32Å; M522-N526 WeakPolarHBondContact O-CB 3.48Å; M522-N526 PolarHBondContact O-N 3.03Å; M522-N526 PolarHBondContact O-ND2 2.91Å
523A88.9Confident89.9Confident26 Ų2626.8 Ų26.822%0.21516%0.162CC..Hα-helixtrans-60.7-39.1174.200000111.5A519 E520 T521 R527A519-A523 WeakPolarHBondContact O-CB 3.37Å; A519-A523 PolarHBondContact O-N 3.19Å; E520-A523 PolarHBondContact O-N 2.86Å; T521-A523 VanDerWaalsContact C-N 3.32Å; T521-A523 PolarHBondContact O-N 3.22Å; A523-R527 VanDerWaalsContact O-CB 3.23Å; A523-R527 WeakPolarHBondContact O-CB 3.44Å; A523-R527 PolarHBondContact O-N 3.3Å
524K89.7Confident90.4Very high2 Ų229.1 Ų29.11%0.00917%0.172CC..Hα-helixtrans-65.8-48.9176-62.8162-179.5171.90111.7T488 L513 E520 T521 M522 R527 L528T488-K524 VanDerWaalsContact CB-NZ 3.32Å; T488-K524 HydrophobicContact CG2-CD 3.99Å; T488-K524 PolarHBondContact OG1-NZ 3.46Å; L513-K524 HydrophobicContact CD1-CB 4.43Å; L513-K524 HydrophobicContact CD2-CB 4.2Å; L513-K524 HydrophobicContact CD2-CD 4.45Å; E520-K524 PolarHBondContact O-N 2.82Å; T521-K524 WeakPolarHBondContact O-CB 3.45Å; T521-K524 PolarHBondContact O-N 3.49Å; M522-K524 VanDerWaalsContact C-N 3.28Å; M522-K524 PolarHBondContact O-N 3.33Å; K524-R527 PolarHBondContact O-N 3.46Å; K524-L528 WeakPolarHBondContact O-CB 3.42Å; K524-L528 PolarHBondContact O-N 3.18Å
525Y93.1Very high90.8Very high0 Ų029.1 Ų29.10%017%0.172CC..Hα-helixtrans-61.2-46.5176-74.9-72.4000112.1P267 I269 V302 L513 G514 G515 L516 T521 M522 R527 L528 I529P267-Y525 HydrophobicContact CB-CE1 3.95Å; I269-Y525 HydrophobicContact CD1-CE1 4.2Å; I269-Y525 HydrophobicContact CG1-CE1 4.02Å; I269-Y525 WeakPolarHBondContact CG1-OH 3.46Å; V302-Y525 HydrophobicContact CG2-CD1 3.46Å; V302-Y525 VanDerWaalsContact CG2-CD1 3.46Å; V302-Y525 HydrophobicContact CG2-CE1 3.96Å; V302-Y525 HydrophobicContact CG2-CG 4.07Å; L513-Y525 HydrophobicContact CB-CE1 4.01Å; L513-Y525 HydrophobicContact CB-CE2 3.9Å; L513-Y525 HydrophobicContact CD1-CD1 3.83Å; L513-Y525 HydrophobicContact CD1-CE1 3.81Å; L513-Y525 HydrophobicContact CD1-CG 4.3Å; L513-Y525 HydrophobicContact CG-CE1 4.48Å; G514-Y525 PolarHBondContact O-OH 3.12Å; G514-Y525 VanDerWaalsContact O-OH 3.06Å; G515-Y525 VanDerWaalsContact O-CE2 3.24Å; G515-Y525 WeakPolarHBondContact O-CE2 3.37Å; L516-Y525 HydrophobicContact CD2-CD2 4.49Å; L516-Y525 HydrophobicContact CD2-CE2 4.04Å; T521-Y525 HydrophobicContact CG2-CD2 3.99Å; T521-Y525 HydrophobicContact CG2-CE2 3.62Å; T521-Y525 VanDerWaalsContact O-CD2 3.27Å; T521-Y525 WeakPolarHBondContact O-CD2 3.43Å; T521-Y525 PolarHBondContact O-N 3.24Å; M522-Y525 PolarHBondContact O-N 2.67Å; M522-Y525 HydrophobicContact SD-CD2 4.32Å; Y525-R527 VanDerWaalsContact C-N 3.32Å; Y525-R527 PolarHBondContact O-N 2.53Å; Y525-L528 PolarHBondContact O-N 2.9Å; Y525-I529 WeakPolarHBondContact O-CG1 3.42Å; Y525-I529 PolarHBondContact O-N 3.27Å
526N94.6Very high91Very high85 Ų8531.8 Ų31.846%0.45519%0.194SC..Hα-helixtrans-62.2-41.6179.2-71.3-21.7000111M522 L528 I529 S530M522-N526 WeakPolarHBondContact O-CB 3.48Å; M522-N526 PolarHBondContact O-N 3.03Å; M522-N526 PolarHBondContact O-ND2 2.91Å; N526-L528 VanDerWaalsContact C-N 3.34Å; N526-I529 PolarHBondContact O-N 3.24Å; N526-S530 PolarHBondContact O-N 3.18Å; N526-S530 PolarHBondContact O-OG 3.48Å
527R94.8Very high91.2Very high58 Ų5838.3 Ų38.322%0.21922%0.224CC..Hα-helixtrans-63.8-41.4176-176.958-177.9146.86.9111.5G497 A500 D501 A523 K524 Y525 I529 S530 I531 E534G497-R527 WeakPolarHBondContact O-CG 3.4Å; A500-R527 HydrophobicContact CB-CB 4.03Å; A500-R527 HydrophobicContact CB-CG 3.89Å; D501-R527 IonicContact OD1-CZ 3.75Å; D501-R527 IonicContact OD1-NE 3.58Å; D501-R527 IonicContact OD1-NH2 3.8Å; D501-R527 PolarHBondContact OD1-NH2 3.36Å; D501-R527 WeakPolarHBondContact OD2-CG 3.38Å; D501-R527 IonicContact OD2-CZ 2.79Å; D501-R527 IonicContact OD2-NE 3.95Å; D501-R527 PolarHBondContact OD2-NE 2.93Å; D501-R527 IonicContact OD2-NH2 2.79Å; A523-R527 VanDerWaalsContact O-CB 3.23Å; A523-R527 WeakPolarHBondContact O-CB 3.44Å; A523-R527 PolarHBondContact O-N 3.3Å; K524-R527 PolarHBondContact O-N 3.46Å; Y525-R527 VanDerWaalsContact C-N 3.32Å; Y525-R527 PolarHBondContact O-N 2.53Å; R527-I529 PolarHBondContact O-N 3.45Å; R527-S530 PolarHBondContact O-N 3.38Å; R527-I531 HydrophobicContact CG-CD1 4Å; R527-I531 HydrophobicContact CG-CG1 4.47Å; R527-I531 VanDerWaalsContact O-CG1 3.29Å; R527-I531 WeakPolarHBondContact O-CG1 3.4Å; R527-I531 PolarHBondContact O-N 3.41Å; R527-E534 IonicContact CZ-OE1 2.67Å; R527-E534 IonicContact NH1-OE1 2.79Å; R527-E534 PolarHBondContact NH1-OE1 3.24Å; R527-E534 IonicContact NH2-OE1 2.84Å
528L95.1Very high91.6Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-62.6-41.2176.6-161.569000112V264 P265 V298 A500 V504 V511 L513 K524 Y525 N526 I531 E532V264-L528 HydrophobicContact CG1-CD1 3.76Å; V264-L528 HydrophobicContact CG1-CD2 4.15Å; V264-L528 HydrophobicContact CG1-CG 3.68Å; P265-L528 HydrophobicContact CG-CD1 3.96Å; V298-L528 HydrophobicContact CG1-CB 4.31Å; V298-L528 HydrophobicContact CG1-CD2 3.92Å; V298-L528 HydrophobicContact CG1-CG 4.27Å; V298-L528 HydrophobicContact CG2-CD2 3.86Å; V298-L528 HydrophobicContact CG2-CG 4.03Å; A500-L528 HydrophobicContact CB-CB 4.1Å; A500-L528 HydrophobicContact CB-CD1 3.99Å; V504-L528 HydrophobicContact CG2-CD1 3.79Å; V511-L528 HydrophobicContact CG2-CD2 4.15Å; L513-L528 HydrophobicContact CD1-CD2 4.24Å; K524-L528 WeakPolarHBondContact O-CB 3.42Å; K524-L528 PolarHBondContact O-N 3.18Å; Y525-L528 PolarHBondContact O-N 2.9Å; N526-L528 VanDerWaalsContact C-N 3.34Å; L528-I531 PolarHBondContact O-N 3.04Å; L528-E532 PolarHBondContact O-N 2.82Å
529I96.3Very high92.2Very high23 Ų2343.2 Ų43.212%0.11825%0.25CC..Hα-helixtrans-62.7-45.5173-65.7166000110.7V298 K299 Y525 N526 R527 I531 E532 E533V298-I529 HydrophobicContact CB-CG1 3.95Å; V298-I529 HydrophobicContact CG1-CD1 4.41Å; V298-I529 HydrophobicContact CG1-CG1 3.61Å; K299-I529 HydrophobicContact CB-CD1 4.2Å; K299-I529 HydrophobicContact CB-CG1 4.36Å; Y525-I529 WeakPolarHBondContact O-CG1 3.42Å; Y525-I529 PolarHBondContact O-N 3.27Å; N526-I529 PolarHBondContact O-N 3.24Å; R527-I529 PolarHBondContact O-N 3.45Å; I529-I531 VanDerWaalsContact C-N 3.34Å; I529-I531 PolarHBondContact O-N 3.38Å; I529-E532 WeakPolarHBondContact O-CB 3.48Å; I529-E532 PolarHBondContact O-N 2.81Å; I529-E533 WeakPolarHBondContact O-CG 3.33Å; I529-E533 PolarHBondContact O-N 3.35Å
530S96.7Very high92.6Very high47 Ų4741.6 Ų41.633%0.32923%0.231SC..Hα-helixtrans-61.2-41.8177.5-59.80000112.1N526 R527 E533 E534N526-S530 PolarHBondContact O-N 3.18Å; N526-S530 PolarHBondContact O-OG 3.48Å; R527-S530 PolarHBondContact O-N 3.38Å; S530-E533 PolarHBondContact O-N 3.21Å; S530-E534 WeakPolarHBondContact O-CB 3.29Å; S530-E534 VanDerWaalsContact O-CG 3.26Å; S530-E534 WeakPolarHBondContact O-CG 3.47Å; S530-E534 PolarHBondContact O-N 3.05Å
531I96.3Very high93.2Very high0 Ų042.4 Ų42.40%024%0.235CC..Hα-helixtrans-64-42.6176.5-66.9167.5000110.9Y247 A500 D501 V504 R527 L528 I529 E533 E534 L535Y247-I531 HydrophobicContact CD1-CD1 3.97Å; Y247-I531 HydrophobicContact CD1-CG1 3.82Å; Y247-I531 HydrophobicContact CD1-CG2 3.97Å; Y247-I531 HydrophobicContact CE1-CG1 4Å; Y247-I531 HydrophobicContact CE1-CG2 4.04Å; Y247-I531 HydrophobicContact CG-CG2 4.28Å; A500-I531 HydrophobicContact CB-CD1 4.28Å; D501-I531 HydrophobicContact CB-CD1 4.44Å; V504-I531 HydrophobicContact CB-CG2 4.31Å; V504-I531 HydrophobicContact CG1-CG2 3.89Å; V504-I531 HydrophobicContact CG2-CD1 4.3Å; V504-I531 HydrophobicContact CG2-CG2 3.95Å; R527-I531 HydrophobicContact CG-CD1 4Å; R527-I531 HydrophobicContact CG-CG1 4.47Å; R527-I531 VanDerWaalsContact O-CG1 3.29Å; R527-I531 WeakPolarHBondContact O-CG1 3.4Å; R527-I531 PolarHBondContact O-N 3.41Å; L528-I531 PolarHBondContact O-N 3.04Å; I529-I531 VanDerWaalsContact C-N 3.34Å; I529-I531 PolarHBondContact O-N 3.38Å; I531-E533 VanDerWaalsContact C-N 3.33Å; I531-E533 PolarHBondContact O-N 2.88Å; I531-E534 PolarHBondContact O-N 3.38Å; I531-L535 HydrophobicContact CG2-CD1 3.76Å; I531-L535 HydrophobicContact CG2-CG 4.19Å; I531-L535 WeakPolarHBondContact O-CB 3.24Å; I531-L535 VanDerWaalsContact O-CG 3.25Å; I531-L535 WeakPolarHBondContact O-CG 3.26Å; I531-L535 PolarHBondContact O-N 3.01Å
532E96.1Very high93.4Very high16 Ų1646.8 Ų46.88%0.07526%0.256CS..Hα-helixtrans-56.3-47.2174.5-173177.9-112.500111.4V264 P297 V298 L528 I529 L535 A536 L541 W543V264-E532 HydrophobicContact CG2-CB 3.92Å; V264-E532 HydrophobicContact CG2-CG 4.22Å; P297-E532 WeakPolarHBondContact CA-OE1 3.36Å; V298-E532 PolarHBondContact N-OE1 3.18Å; V298-E532 VanDerWaalsContact N-OE1 3.09Å; V298-E532 PolarHBondContact N-OE2 2.91Å; L528-E532 PolarHBondContact O-N 2.82Å; I529-E532 WeakPolarHBondContact O-CB 3.48Å; I529-E532 PolarHBondContact O-N 2.81Å; E532-L535 PolarHBondContact O-N 2.86Å; E532-A536 WeakPolarHBondContact O-CB 3.24Å; E532-A536 PolarHBondContact O-N 2.57Å; E532-L541 HydrophobicContact CG-CD2 4Å; E532-W543 HydrophobicContact CG-CH2 4.45Å; E532-W543 WeakPolarHBondContact OE1-CH2 3.46Å
533E95.9Very high93Very high94 Ų9450 Ų5044%0.43927%0.265SS..Hα-helixtrans-64.7-44.8177-69.8176.1173.200112.4I529 S530 I531 L535 A536 Q537I529-E533 WeakPolarHBondContact O-CG 3.33Å; I529-E533 PolarHBondContact O-N 3.35Å; S530-E533 PolarHBondContact O-N 3.21Å; I531-E533 VanDerWaalsContact C-N 3.33Å; I531-E533 PolarHBondContact O-N 2.88Å; E533-L535 PolarHBondContact O-N 2.72Å; E533-A536 PolarHBondContact O-N 3.04Å; E533-Q537 WeakPolarHBondContact O-CB 3.49Å; E533-Q537 VanDerWaalsContact O-CG 3.26Å; E533-Q537 WeakPolarHBondContact O-CG 3.41Å; E533-Q537 PolarHBondContact O-N 2.81Å
534E95.4Very high92.1Very high50 Ų5051.1 Ų51.123%0.23427%0.265CS..Hα-helixtrans-58.4-45.6176.6-77174.9-145.800111.7Y247 R527 S530 I531 Q538Y247-E534 VanDerWaalsContact CE1-OE2 3.23Å; Y247-E534 WeakPolarHBondContact CE1-OE2 3.21Å; Y247-E534 PolarHBondContact OH-OE2 3Å; R527-E534 IonicContact CZ-OE1 2.67Å; R527-E534 IonicContact NH1-OE1 2.79Å; R527-E534 PolarHBondContact NH1-OE1 3.24Å; R527-E534 IonicContact NH2-OE1 2.84Å; S530-E534 WeakPolarHBondContact O-CB 3.29Å; S530-E534 VanDerWaalsContact O-CG 3.26Å; S530-E534 WeakPolarHBondContact O-CG 3.47Å; S530-E534 PolarHBondContact O-N 3.05Å; I531-E534 PolarHBondContact O-N 3.38Å; E534-Q538 VanDerWaalsContact O-CG 3.25Å; E534-Q538 WeakPolarHBondContact O-CG 3.5Å; E534-Q538 PolarHBondContact O-N 3.49Å; E534-Q538 PolarHBondContact O-NE2 2.87Å; E534-Q538 VanDerWaalsContact O-NE2 3.14Å
535L95Very high90.7Very high0 Ų056.3 Ų56.30%029%0.293CS..Hα-helixtrans-69.5-40.7-179.7-71.1172.4000111.8Y247 F262 V264 V504 I531 E532 E533 Q538 G539 L540 L541Y247-L535 HydrophobicContact CE2-CD2 3.78Å; Y247-L535 HydrophobicContact CE2-CG 4.4Å; F262-L535 HydrophobicContact CB-CD1 3.59Å; F262-L535 HydrophobicContact CB-CD2 3.76Å; F262-L535 HydrophobicContact CB-CG 4.31Å; F262-L535 HydrophobicContact CD2-CD2 3.69Å; F262-L535 HydrophobicContact CG-CD1 4.38Å; F262-L535 HydrophobicContact CG-CD2 3.87Å; V264-L535 HydrophobicContact CG2-CD1 4.09Å; V504-L535 HydrophobicContact CG1-CD1 4.27Å; I531-L535 HydrophobicContact CG2-CD1 3.76Å; I531-L535 HydrophobicContact CG2-CG 4.19Å; I531-L535 WeakPolarHBondContact O-CB 3.24Å; I531-L535 VanDerWaalsContact O-CG 3.25Å; I531-L535 WeakPolarHBondContact O-CG 3.26Å; I531-L535 PolarHBondContact O-N 3.01Å; E532-L535 PolarHBondContact O-N 2.86Å; E533-L535 PolarHBondContact O-N 2.72Å; L535-Q538 PolarHBondContact O-N 2.8Å; L535-G539 PolarHBondContact O-N 3.47Å; L535-G539 VanDerWaalsContact O-N 3.15Å; L535-L540 HydrophobicContact CD2-CB 4Å; L535-L540 PolarHBondContact O-N 3.49Å; L535-L541 HydrophobicContact CB-CB 3.91Å; L535-L541 HydrophobicContact CB-CD1 4.32Å; L535-L541 HydrophobicContact CD1-CD1 4.31Å; L535-L541 PolarHBondContact O-N 3.35Å
536A93.6Very high89Confident56 Ų5659.3 Ų59.346%0.46331%0.307SS..Hα-helixtrans-62.9-44.717700000111.5E532 E533 Q538 G539 L541E532-A536 WeakPolarHBondContact O-CB 3.24Å; E532-A536 PolarHBondContact O-N 2.57Å; E533-A536 PolarHBondContact O-N 3.04Å; A536-Q538 PolarHBondContact O-N 3.43Å; A536-G539 PolarHBondContact O-N 3.1Å; A536-G539 VanDerWaalsContact O-N 3.09Å; A536-L541 HydrophobicContact CB-CB 4.44Å; A536-L541 HydrophobicContact CB-CD2 4Å
537Q94.6Very high86.6Confident165 Ų16561.5 Ų61.577%0.77132%0.319SS*.Hα-helixtrans-62.2-32.5177-72.9173.119.100112.8E533 G539E533-Q537 WeakPolarHBondContact O-CB 3.49Å; E533-Q537 VanDerWaalsContact O-CG 3.26Å; E533-Q537 WeakPolarHBondContact O-CG 3.41Å; E533-Q537 PolarHBondContact O-N 2.81Å; Q537-G539 VanDerWaalsContact C-N 3.33Å
538Q92.7Very high84.2Confident92 Ų9263.6 Ų63.643%0.4333%0.334SS..THydrogen-bonded Turntrans-84-5.9177.8-67.8169.848.100113.4E534 L535 A536 L540E534-Q538 VanDerWaalsContact O-CG 3.25Å; E534-Q538 WeakPolarHBondContact O-CG 3.5Å; E534-Q538 PolarHBondContact O-N 3.49Å; E534-Q538 PolarHBondContact O-NE2 2.87Å; E534-Q538 VanDerWaalsContact O-NE2 3.14Å; L535-Q538 PolarHBondContact O-N 2.8Å; A536-Q538 PolarHBondContact O-N 3.43Å; Q538-L540 HydrophobicContact CB-CB 4.44Å; Q538-L540 HydrophobicContact CB-CD1 3.92Å; Q538-L540 HydrophobicContact CB-CG 3.87Å; Q538-L540 PolarHBondContact O-N 3.32Å
539G92.6Very high82.3Confident55 Ų5563.7 Ų63.757%0.56733%0.334SS*.THydrogen-bonded Turntrans6820.9-173.500000113.8L535 A536 Q537L535-G539 PolarHBondContact O-N 3.47Å; L535-G539 VanDerWaalsContact O-N 3.15Å; A536-G539 PolarHBondContact O-N 3.1Å; A536-G539 VanDerWaalsContact O-N 3.09Å; Q537-G539 VanDerWaalsContact C-N 3.33Å
540L91.6Very high80.6Confident39 Ų3967 Ų6720%0.20435%0.345CS..  trans-99.1-9.8-178-62.8177.9000113T260 H261 F262 L535 Q538 E542T260-L540 WeakPolarHBondContact O-CD2 3.24Å; H261-L540 CarbonylContact C-O 3.49Å; H261-L540 WeakPolarHBondContact CA-O 3.32Å; F262-L540 HydrophobicContact CD2-CB 4.5Å; F262-L540 PolarHBondContact N-O 3.33Å; L535-L540 HydrophobicContact CD2-CB 4Å; L535-L540 PolarHBondContact O-N 3.49Å; Q538-L540 HydrophobicContact CB-CB 4.44Å; Q538-L540 HydrophobicContact CB-CD1 3.92Å; Q538-L540 HydrophobicContact CB-CG 3.87Å; Q538-L540 PolarHBondContact O-N 3.32Å; L540-E542 PolarHBondContact O-N 2.83Å
541L91.8Very high79Confident27 Ų2764.8 Ų64.814%0.14133%0.33CS..BIsolated β-bridgetrans-75.6121.9-178.8-175.763.2000111.7F262 V264 E532 L535 A536 W543F262-L541 CarbonylContact O-C 3.32Å; F262-L541 WeakPolarHBondContact O-CA 3.13Å; V264-L541 HydrophobicContact CG2-CD1 3.76Å; E532-L541 HydrophobicContact CG-CD2 4Å; L535-L541 HydrophobicContact CB-CB 3.91Å; L535-L541 HydrophobicContact CB-CD1 4.32Å; L535-L541 HydrophobicContact CD1-CD1 4.31Å; L535-L541 PolarHBondContact O-N 3.35Å; A536-L541 HydrophobicContact CB-CB 4.44Å; A536-L541 HydrophobicContact CB-CD2 4Å; L541-W543 HydrophobicContact CD2-CH2 4.18Å; L541-W543 HydrophobicContact CD2-CZ2 3.56Å
542E88.3Confident77Confident95 Ų9564.9 Ų64.944%0.44433%0.33SS..  trans-106.2124.2170.8-176179.4-176.500110H261 F262 H263 L540H261-E542 HydrophobicContact CB-CB 4.02Å; F262-E542 PolarHBondContact O-N 3.5Å; H263-E542 WeakPolarHBondContact CB-O 3.23Å; L540-E542 PolarHBondContact O-N 2.83Å
543W80.8Confident74.8Confident120 Ų12065.4 Ų65.446%0.45534%0.336SS..  trans-85.1113172-63.2100.1000109.1P297 E532 L541 N545P297-W543 HydrophobicContact CB-CH2 4.17Å; P297-W543 HydrophobicContact CG-CH2 3.94Å; E532-W543 HydrophobicContact CG-CH2 4.45Å; E532-W543 WeakPolarHBondContact OE1-CH2 3.46Å; L541-W543 HydrophobicContact CD2-CH2 4.18Å; L541-W543 HydrophobicContact CD2-CZ2 3.56Å; W543-N545 PolarHBondContact O-N 3.48Å
544K70.4Confident72.5Confident49 Ų4965.9 Ų65.921%0.21334%0.338CS..  trans-65.9132.8173.7-77.2-175169.31720110.1H263 V294 D509 L549H263-K544 HydrophobicContact CB-CD 4.45Å; H263-K544 HydrophobicContact CB-CG 4.24Å; H263-K544 PolarHBondContact CD2-NZ 3.02Å; H263-K544 PolarHBondContact CE1-NZ 3.44Å; H263-K544 WeakPolarHBondContact NE2-CE 3.41Å; H263-K544 PolarHBondContact NE2-NZ 3.41Å; V294-K544 VanDerWaalsContact CG1-O 3.29Å; V294-K544 WeakPolarHBondContact CG1-O 3.34Å; D509-K544 IonicContact OD1-NZ 2.6Å; D509-K544 PolarHBondContact OD1-NZ 3.46Å; K544-L549 HydrophobicContact CB-CD2 4.36Å; K544-L549 HydrophobicContact CD-CD2 3.65Å
545N60.3Low70Confident111 Ų11164.8 Ų64.859%0.59433%0.333SS*.  trans-73.8154.9171.6-65.5-39.9000110.8W543 N547 L548W543-N545 PolarHBondContact O-N 3.48Å; N545-N547 PolarHBondContact O-N 3.27Å; N545-N547 VanDerWaalsContact O-N 3.14Å; N545-L548 HydrophobicContact CB-CD1 4.19Å; N545-L548 WeakPolarHBondContact O-CB 3.3Å; N545-L548 PolarHBondContact O-N 3.44Å
546E55.5Low67.1Low63 Ų6367.7 Ų67.729%0.29435%0.353SS..G310 helixtrans-53-36.4177.3-67.2-176.3135.900112.9K293 V294 L548 L549K293-E546 WeakPolarHBondContact CE-OE1 3.4Å; K293-E546 WeakPolarHBondContact CG-OE1 3.21Å; K293-E546 IonicContact NZ-OE1 3.13Å; V294-E546 HydrophobicContact CB-CG 4Å; V294-E546 HydrophobicContact CG2-CG 4.26Å; E546-L548 PolarHBondContact O-N 2.9Å; E546-L549 PolarHBondContact O-N 3.23Å
547N44.5Very low64.2Low131 Ų13171.9 Ų71.970%0.70137%0.368SS*.G310 helixtrans-68-16.1178.4-65-20000114.2N545N545-N547 PolarHBondContact O-N 3.27Å; N545-N547 VanDerWaalsContact O-N 3.14Å
548L46Very low61.3Low103 Ų10368.8 Ų68.854%0.53936%0.36SS..G310 helixtrans-94.1-14.4-179.6-85.8145.5000112.8N545 E546N545-L548 HydrophobicContact CB-CD1 4.19Å; N545-L548 WeakPolarHBondContact O-CB 3.3Å; N545-L548 PolarHBondContact O-N 3.44Å; E546-L548 PolarHBondContact O-N 2.9Å
549L53.3Low58.1Low2 Ų269.6 Ų69.61%0.0137%0.373CS..  trans-92.1108.4178.9-74.3-156.4000111.7V266 V294 D509 Y510 K544 E546 L551 I552 S553V266-L549 HydrophobicContact CG2-CD1 4.06Å; V294-L549 HydrophobicContact CB-CD1 4.05Å; V294-L549 HydrophobicContact CG1-CD1 3.38Å; V294-L549 HydrophobicContact CG1-CG 3.78Å; V294-L549 HydrophobicContact CG2-CB 4.32Å; V294-L549 HydrophobicContact CG2-CD1 3.51Å; V294-L549 HydrophobicContact CG2-CG 4.18Å; D509-L549 HydrophobicContact CB-CD2 3.79Å; D509-L549 WeakPolarHBondContact OD1-CD2 3.46Å; Y510-L549 HydrophobicContact CE1-CD1 3.85Å; Y510-L549 WeakPolarHBondContact OH-CB 3.49Å; K544-L549 HydrophobicContact CB-CD2 4.36Å; K544-L549 HydrophobicContact CD-CD2 3.65Å; E546-L549 PolarHBondContact O-N 3.23Å; L549-L551 VanDerWaalsContact C-N 3.28Å; L549-L551 PolarHBondContact O-N 3.32Å; L549-I552 PolarHBondContact O-N 3.48Å; L549-I552 VanDerWaalsContact O-N 3.12Å; L549-S553 VanDerWaalsContact O-CB 3.29Å; L549-S553 WeakPolarHBondContact O-CB 3.37Å; L549-S553 PolarHBondContact O-N 3.36Å; L549-S553 PolarHBondContact O-OG 2.86Å
550R61.8Low55.1Low91 Ų9174.3 Ų74.334%0.34338%0.384SS..Hα-helixtrans-56.7-35.2-168.3-64.7175.2-176.7174.2-0.4114Q478 R481 C482 S483 I552 S553 H554Q478-R550 PolarHBondContact O-NH1 3.46Å; Q478-R550 VanDerWaalsContact O-NH1 3.14Å; R481-R550 WeakPolarHBondContact O-CD 3.04Å; C482-R550 PolarHBondContact O-NH1 3.05Å; C482-R550 VanDerWaalsContact O-NH1 3.1Å; S483-R550 WeakPolarHBondContact OG-CB 3.27Å; R550-I552 VanDerWaalsContact C-N 3.33Å; R550-I552 PolarHBondContact O-N 3.4Å; R550-S553 WeakPolarHBondContact CA-OG 3.36Å; R550-S553 PolarHBondContact O-OG 3.03Å; R550-H554 PolarHBondContact O-CD2 3.45Å
551L62.8Low52.1Low1 Ų178.1 Ų78.11%0.00541%0.412CS..Hα-helixtrans-67.9-30.9-178.2-138.4105.5000113.6W268 A412 S437 L439 Y510 L549W268-L551 HydrophobicContact CH2-CD2 3.9Å; W268-L551 HydrophobicContact CZ2-CD2 3.63Å; A412-L551 HydrophobicContact CB-CD2 3.76Å; S437-L551 PolarHBondContact OG-O 3.36Å; S437-L551 VanDerWaalsContact OG-O 3.08Å; L439-L551 HydrophobicContact CD1-CD1 4.11Å; L439-L551 HydrophobicContact CD2-CD1 4.21Å; L439-L551 HydrophobicContact CG-CD1 4.4Å; Y510-L551 HydrophobicContact CE2-CB 3.76Å; Y510-L551 HydrophobicContact CE2-CD1 4.23Å; Y510-L551 HydrophobicContact CE2-CG 4.48Å; Y510-L551 VanDerWaalsContact OH-CB 3.3Å; Y510-L551 WeakPolarHBondContact OH-CB 3.32Å; L549-L551 VanDerWaalsContact C-N 3.28Å; L549-L551 PolarHBondContact O-N 3.32Å
552I55.3Low49.2Very low2 Ų285.4 Ų85.41%0.0144%0.444CS..Hα-helixtrans-107.7-28.2-174.7-59172.8000110.8V294 L549 R550 H554 L555 C556V294-I552 HydrophobicContact CG2-CD1 3.94Å; L549-I552 PolarHBondContact O-N 3.48Å; L549-I552 VanDerWaalsContact O-N 3.12Å; R550-I552 VanDerWaalsContact C-N 3.33Å; R550-I552 PolarHBondContact O-N 3.4Å; I552-H554 VanDerWaalsContact C-N 3.27Å; I552-H554 PolarHBondContact O-N 2.91Å; I552-L555 WeakPolarHBondContact O-CA 3.17Å; I552-L555 WeakPolarHBondContact O-CB 3.03Å; I552-L555 PolarHBondContact O-N 3.41Å; I552-C556 PolarHBondContact O-N 3.39Å; I552-C556 VanDerWaalsContact O-N 3.16Å
553S48.8Very low46.5Very low27 Ų2789.9 Ų89.919%0.18947%0.465CS..Hα-helixtrans-60.8-29.6-179.866.40000114.4L549 R550 L555L549-S553 VanDerWaalsContact O-CB 3.29Å; L549-S553 WeakPolarHBondContact O-CB 3.37Å; L549-S553 PolarHBondContact O-N 3.36Å; L549-S553 PolarHBondContact O-OG 2.86Å; R550-S553 WeakPolarHBondContact CA-OG 3.36Å; R550-S553 PolarHBondContact O-OG 3.03Å; S553-L555 PolarHBondContact O-N 2.79Å
554H47.8Very low44.1Very low105 Ų10590.1 Ų90.149%0.48648%0.48SS..THydrogen-bonded Turntrans-70.6-22171.8-70.5-56.8000112.9R550 I552R550-H554 PolarHBondContact O-CD2 3.45Å; I552-H554 VanDerWaalsContact C-N 3.27Å; I552-H554 PolarHBondContact O-N 2.91Å
555L42Very low42.3Very low26 Ų2693.2 Ų93.214%0.13651%0.505CS..THydrogen-bonded Turntrans-89.2-27.2-177-46.1-177.5000112.4V411 I434 S435 I552 S553 N557V411-L555 HydrophobicContact CB-CD1 3.47Å; V411-L555 VanDerWaalsContact CB-CD1 3.47Å; V411-L555 HydrophobicContact CG1-CD1 3.51Å; I434-L555 WeakPolarHBondContact O-CD2 3.18Å; S435-L555 WeakPolarHBondContact O-CD2 3.38Å; I552-L555 WeakPolarHBondContact O-CA 3.17Å; I552-L555 WeakPolarHBondContact O-CB 3.03Å; I552-L555 PolarHBondContact O-N 3.41Å; S553-L555 PolarHBondContact O-N 2.79Å; L555-N557 VanDerWaalsContact C-N 3.35Å; L555-N557 PolarHBondContact O-N 3.2Å
556C35.5Very low41.3Very low61 Ų6195.9 Ų95.941%0.41252%0.52SS..THydrogen-bonded Turntrans-84.10.9-177.2-65.50000114.9I552 V558I552-C556 PolarHBondContact O-N 3.39Å; I552-C556 VanDerWaalsContact O-N 3.16Å; C556-V558 PolarHBondContact O-N 3.13Å
557N32.6Very low40.1Very low145 Ų145101.6 Ų101.678%0.77555%0.546SS*.THydrogen-bonded Turntrans-80.910.8172.6-86.9-18.7000113.6L555 P559L555-N557 VanDerWaalsContact C-N 3.35Å; L555-N557 PolarHBondContact O-N 3.2Å; N557-P559 WeakPolarHBondContact O-CD 3.21Å
558V32.4Very low40Very low99 Ų99104.7 Ų104.760%0.657%0.574SS**SBendtrans-82.5118.3170.6-176.80000108.3C556 L560C556-V558 PolarHBondContact O-N 3.13Å; V558-L560 PolarHBondContact O-N 3.45Å
559P26Very low39.7Very low109 Ų109104.8 Ų104.871%0.70858%0.575SS**PPolyproline II helixtrans-62.1126.4176.323.9-29.6000109.2N557N557-P559 WeakPolarHBondContact O-CD 3.21Å
560L29.3Very low38.9Very low154 Ų154110.2 Ų110.281%0.80661%0.605SS**PPolyproline II helixtrans-52.3140.4169.1-71.7162.5000109V558 H562V558-L560 PolarHBondContact O-N 3.45Å; L560-H562 PolarHBondContact O-N 3.28Å; L560-H562 VanDerWaalsContact O-N 3.13Å
561P29.9Very low37.7Very low120 Ų120111.3 Ų111.378%0.77962%0.62SS**PPolyproline II helixtrans-57.4123.5171.523.1-29.5000108.1E563P561-E563 PolarHBondContact O-N 3.12Å
562H29.9Very low36.2Very low180 Ų180117.8 Ų117.883%0.83366%0.656SS**  trans-44.4115.1-178.9-73.9-78.9000110.8L560 T564L560-H562 PolarHBondContact O-N 3.28Å; L560-H562 VanDerWaalsContact O-N 3.13Å; H562-T564 PolarHBondContact O-N 3.1Å; H562-T564 VanDerWaalsContact O-N 3.15Å
563E30.7Very low35Very low188 Ų188125 Ų12588%0.87970%0.696SS**PPolyproline II helixtrans-55.3120157.2-75.5-178.5161.200106.5P561P561-E563 PolarHBondContact O-N 3.12Å
564T31Very low34.1Very low125 Ų125131.5 Ų131.577%0.76773%0.73SS**PPolyproline II helixtrans-65.6125.917229.40000106.5H562 D566H562-T564 PolarHBondContact O-N 3.1Å; H562-T564 VanDerWaalsContact O-N 3.15Å; T564-D566 PolarHBondContact O-N 2.72Å
565P33.8Very low33.1Very low114 Ų114133.4 Ų133.474%0.7475%0.747SS**PPolyproline II helixtrans-66.4124.8175.725.7-28.7000107.5E567P565-E567 PolarHBondContact O-N 3.47Å; P565-E567 VanDerWaalsContact O-N 3.13Å
566D38.8Very low32.4Very low168 Ų168141.7 Ų141.790%0.89879%0.794SS**PPolyproline II helixtrans-49118.9165.6-78.6-39.5000108.6T564T564-D566 PolarHBondContact O-N 2.72Å
567E29.4Very low32.2Very low183 Ų183148.4 Ų148.486%0.85583%0.826SS**PPolyproline II helixtrans-79.2152.8170.1-101.7-173.2175.400110.2P565P565-E567 PolarHBondContact O-N 3.47Å; P565-E567 VanDerWaalsContact O-N 3.13Å
568P42.2Very low32.1Very low196 Ų196148.7 Ų148.7100%1.27383%0.831SS**  trans-73.30-144.528.2-37.1000117.7

Retrieved 568 of 568 residues in 215.9 ms (Link to these results)

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