A0A087Y100_POEFO Loading...

26S proteasome non-ATPase regulatory subunit 8

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A087Y100, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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
1L43.4Very low52.1Low166 Ų16683.4 Ų83.487%0.86945%0.452SS*.  0-50.10-83.6157.6000112.9L5 L43L1-L5 WeakPolarHBondContact O-CB 3.43Å; L1-L5 PolarHBondContact O-N 3.03Å; L1-L43 HydrophobicContact CD2-CD2 4.17Å
2T44.9Very low52.7Low119 Ų11977.8 Ų77.873%0.7342%0.42SS*.Hα-helixtrans-73.6-30.9-179.637.20000115.7K6T2-K6 PolarHBondContact O-N 3.22Å; T2-K6 VanDerWaalsContact O-N 3.12Å
3M46.1Very low53.4Low153 Ų15382.6 Ų82.675%0.75444%0.438SS*.Hα-helixtrans-69.8-48.3175.9-88.1179.1169.700112.7L5 K6 E7M3-L5 PolarHBondContact O-N 3.22Å; M3-K6 PolarHBondContact O-N 2.86Å; M3-E7 PolarHBondContact O-N 3.3Å
4A48.3Very low53.9Low28 Ų2881.5 Ų81.523%0.23144%0.436CS..Hα-helixtrans-59.8-31.6174.900000112.5T8A4-T8 WeakPolarHBondContact O-CB 3.48Å; A4-T8 VanDerWaalsContact O-CG2 3.31Å; A4-T8 WeakPolarHBondContact O-CG2 3.39Å; A4-T8 PolarHBondContact O-N 2.92Å; A4-T8 PolarHBondContact O-OG1 3.01Å
5L49.9Very low54.3Low44 Ų4476.3 Ų76.323%0.2341%0.408CS..Hα-helixtrans-69.6-38.5174.6-130.1154.7000112.4L1 M3 T8 A9 Q57L1-L5 WeakPolarHBondContact O-CB 3.43Å; L1-L5 PolarHBondContact O-N 3.03Å; M3-L5 PolarHBondContact O-N 3.22Å; L5-T8 VanDerWaalsContact CA-OG1 3.29Å; L5-T8 WeakPolarHBondContact CA-OG1 3.19Å; L5-T8 PolarHBondContact O-OG1 3.43Å; L5-T8 VanDerWaalsContact O-OG1 3.07Å; L5-A9 WeakPolarHBondContact O-CB 3.29Å; L5-A9 PolarHBondContact O-N 3Å; L5-Q57 HydrophobicContact CD1-CG 3.7Å; L5-Q57 HydrophobicContact CD2-CG 4.09Å; L5-Q57 HydrophobicContact CG-CG 3.92Å
6K53.6Low54.9Low173 Ų17377.1 Ų77.175%0.75241%0.407SS*.Hα-helixtrans-72-36.5174-97.9-176.7173.2-177.70112.4T2 M3 G10T2-K6 PolarHBondContact O-N 3.22Å; T2-K6 VanDerWaalsContact O-N 3.12Å; M3-K6 PolarHBondContact O-N 2.86Å; K6-G10 PolarHBondContact O-N 3.45Å
7E55.8Low55.3Low127 Ų12775.9 Ų75.959%0.59341%0.41SS*.Hα-helixtrans-69.6-42.3175.2-73.7176.9166.200111.5M3 G10 L11M3-E7 PolarHBondContact O-N 3.3Å; E7-G10 PolarHBondContact O-N 2.89Å; E7-L11 VanDerWaalsContact O-CB 3.29Å; E7-L11 WeakPolarHBondContact O-CB 3.5Å; E7-L11 WeakPolarHBondContact O-CG 2.93Å; E7-L11 PolarHBondContact O-N 2.92Å
8T55.5Low55.4Low3 Ų374.2 Ų74.22%0.01840%0.399CS..Hα-helixtrans-66.5-38.4173.845.60000112.4A4 L5 Y12 L36A4-T8 WeakPolarHBondContact O-CB 3.48Å; A4-T8 VanDerWaalsContact O-CG2 3.31Å; A4-T8 WeakPolarHBondContact O-CG2 3.39Å; A4-T8 PolarHBondContact O-N 2.92Å; A4-T8 PolarHBondContact O-OG1 3.01Å; L5-T8 VanDerWaalsContact CA-OG1 3.29Å; L5-T8 WeakPolarHBondContact CA-OG1 3.19Å; L5-T8 PolarHBondContact O-OG1 3.43Å; L5-T8 VanDerWaalsContact O-OG1 3.07Å; T8-Y12 VanDerWaalsContact O-CB 3.22Å; T8-Y12 WeakPolarHBondContact O-CB 3.48Å; T8-Y12 PolarHBondContact O-N 3.39Å; T8-L36 HydrophobicContact CG2-CD2 4.31Å
9A57.2Low55.5Low32 Ų3274.3 Ų74.326%0.26439%0.394SS..Hα-helixtrans-66.8-40.3172.600000112.4L5 Y12 E13L5-A9 WeakPolarHBondContact O-CB 3.29Å; L5-A9 PolarHBondContact O-N 3Å; A9-Y12 PolarHBondContact O-N 2.91Å; A9-E13 PolarHBondContact O-N 3.48Å
10G57.9Low55.7Low30 Ų3077.6 Ų77.631%0.30941%0.411SS..Hα-helixtrans-66.4-39.917500000112.6K6 E7 Y12 E13 T14K6-G10 PolarHBondContact O-N 3.45Å; E7-G10 PolarHBondContact O-N 2.89Å; G10-Y12 VanDerWaalsContact C-N 3.34Å; G10-E13 PolarHBondContact O-N 3.45Å; G10-T14 PolarHBondContact O-N 3.48Å; G10-T14 PolarHBondContact O-OG1 2.87Å; G10-T14 VanDerWaalsContact O-OG1 3.13Å
11L60Low55.6Low42 Ų4280.9 Ų80.922%0.2242%0.422CS..Hα-helixtrans-64.6-39.3172.7-74.4168.6000111.4E7 T14 L15 L32 L36E7-L11 VanDerWaalsContact O-CB 3.29Å; E7-L11 WeakPolarHBondContact O-CB 3.5Å; E7-L11 WeakPolarHBondContact O-CG 2.93Å; E7-L11 PolarHBondContact O-N 2.92Å; L11-T14 VanDerWaalsContact C-OG1 3.28Å; L11-T14 VanDerWaalsContact CA-OG1 3.24Å; L11-T14 WeakPolarHBondContact CA-OG1 3.43Å; L11-T14 PolarHBondContact O-N 3.27Å; L11-T14 PolarHBondContact O-OG1 2.95Å; L11-L15 VanDerWaalsContact O-CB 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 PolarHBondContact O-N 3.27Å; L11-L32 HydrophobicContact CD2-CD2 3.65Å; L11-L36 HydrophobicContact CB-CD1 4.35Å; L11-L36 HydrophobicContact CB-CD2 3.83Å; L11-L36 HydrophobicContact CB-CG 4.11Å; L11-L36 HydrophobicContact CD1-CD2 4.26Å; L11-L36 HydrophobicContact CD1-CG 4.37Å
12Y59.1Low55.7Low17 Ų1782.9 Ų82.97%0.06742%0.424CS..Hα-helixtrans-67.8-38.7174.9174.2-104000113T8 A9 G10 L15 K16 L60 D63 V64 I67T8-Y12 VanDerWaalsContact O-CB 3.22Å; T8-Y12 WeakPolarHBondContact O-CB 3.48Å; T8-Y12 PolarHBondContact O-N 3.39Å; A9-Y12 PolarHBondContact O-N 2.91Å; G10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-L15 PolarHBondContact O-N 3.3Å; Y12-K16 HydrophobicContact CD1-CD 4.18Å; Y12-K16 HydrophobicContact CE1-CD 3.66Å; Y12-K16 HydrophobicContact CE1-CG 4.39Å; Y12-K16 VanDerWaalsContact CZ-NZ 3.29Å; Y12-K16 WeakPolarHBondContact O-CB 3.26Å; Y12-K16 PolarHBondContact O-N 3.11Å; Y12-K16 WeakPolarHBondContact OH-CE 3.3Å; Y12-K16 PolarHBondContact OH-NZ 2.92Å; Y12-L60 HydrophobicContact CD1-CD1 3.32Å; Y12-L60 HydrophobicContact CD2-CD1 3.85Å; Y12-L60 HydrophobicContact CE1-CD1 3.62Å; Y12-L60 HydrophobicContact CE2-CD1 4.13Å; Y12-L60 HydrophobicContact CG-CD1 3.4Å; Y12-L60 HydrophobicContact CG-CG 4.46Å; Y12-D63 HydrophobicContact CE2-CB 3.58Å; Y12-D63 WeakPolarHBondContact OH-CB 3.44Å; Y12-D63 PolarHBondContact OH-OD2 3.1Å; Y12-V64 HydrophobicContact CD2-CG2 3.53Å; Y12-V64 HydrophobicContact CE2-CG2 4.15Å; Y12-V64 HydrophobicContact CG-CG2 4.4Å; Y12-I67 HydrophobicContact CE2-CD1 4.15Å
13E61.9Low55.4Low140 Ų14084 Ų8465%0.65443%0.425SS*.Hα-helixtrans-64.8-41.1172-78.9-178175.100111.6A9 G10 L15 K16 A17A9-E13 PolarHBondContact O-N 3.48Å; G10-E13 PolarHBondContact O-N 3.45Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.33Å; E13-K16 PolarHBondContact O-N 3.04Å; E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.32Å; E13-A17 PolarHBondContact O-N 2.97Å
14T61Low55.6Low67 Ų6778.4 Ų78.441%0.41140%0.4SS..Hα-helixtrans-64.2-36.6172.2480000112.2G10 L11 A17 E18G10-T14 PolarHBondContact O-N 3.48Å; G10-T14 PolarHBondContact O-OG1 2.87Å; G10-T14 VanDerWaalsContact O-OG1 3.13Å; L11-T14 VanDerWaalsContact C-OG1 3.28Å; L11-T14 VanDerWaalsContact CA-OG1 3.24Å; L11-T14 WeakPolarHBondContact CA-OG1 3.43Å; L11-T14 PolarHBondContact O-N 3.27Å; L11-T14 PolarHBondContact O-OG1 2.95Å; T14-A17 PolarHBondContact O-N 3.41Å; T14-E18 WeakPolarHBondContact O-CB 3.25Å; T14-E18 WeakPolarHBondContact O-CG 3.34Å; T14-E18 PolarHBondContact O-N 2.92Å
15L60.4Low55.8Low3 Ų381.7 Ų81.72%0.01641%0.414CS..Hα-helixtrans-71.4-37.1178.2-170.4141.1000111.7L11 Y12 E13 E18 W19 L32 L33 L36 I67L11-L15 VanDerWaalsContact O-CB 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 PolarHBondContact O-N 3.27Å; Y12-L15 PolarHBondContact O-N 3.3Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.33Å; L15-E18 PolarHBondContact O-N 3.39Å; L15-W19 VanDerWaalsContact O-CB 3.28Å; L15-W19 WeakPolarHBondContact O-CB 3.21Å; L15-W19 PolarHBondContact O-N 3.5Å; L15-L32 HydrophobicContact CD1-CB 4.45Å; L15-L33 HydrophobicContact CD1-CD2 4.13Å; L15-L33 HydrophobicContact CD1-CG 4.19Å; L15-L36 HydrophobicContact CD1-CD1 3.73Å; L15-I67 HydrophobicContact CD2-CB 3.79Å; L15-I67 HydrophobicContact CD2-CD1 3.56Å; L15-I67 HydrophobicContact CD2-CG1 4.26Å; L15-I67 HydrophobicContact CD2-CG2 3.4Å
16K63.8Low56.2Low90 Ų9082.2 Ų82.239%0.39142%0.417SS..Hα-helixtrans-65.3-40.9168.9-83.8-176.2164.2171.10112.4Y12 E13 E18 W19 N20 I67Y12-K16 HydrophobicContact CD1-CD 4.18Å; Y12-K16 HydrophobicContact CE1-CD 3.66Å; Y12-K16 HydrophobicContact CE1-CG 4.39Å; Y12-K16 VanDerWaalsContact CZ-NZ 3.29Å; Y12-K16 WeakPolarHBondContact O-CB 3.26Å; Y12-K16 PolarHBondContact O-N 3.11Å; Y12-K16 WeakPolarHBondContact OH-CE 3.3Å; Y12-K16 PolarHBondContact OH-NZ 2.92Å; E13-K16 PolarHBondContact O-N 3.04Å; K16-E18 VanDerWaalsContact C-N 3.33Å; K16-W19 PolarHBondContact O-N 2.89Å; K16-N20 WeakPolarHBondContact O-CB 3.47Å; K16-N20 PolarHBondContact O-N 3.31Å; K16-N20 PolarHBondContact O-ND2 3.41Å; K16-I67 HydrophobicContact CG-CD1 4.37Å
17A61Low56.5Low56 Ų5679.8 Ų79.846%0.46341%0.412SS..Hα-helixtrans-67.3-34.4176.800000112.1E13 T14 K21E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.32Å; E13-A17 PolarHBondContact O-N 2.97Å; T14-A17 PolarHBondContact O-N 3.41Å; A17-K21 PolarHBondContact O-N 2.59Å
18E58Low56.8Low46 Ų4679.4 Ų79.422%0.21541%0.408CS..Hα-helixtrans-73.8-34.6172.1-74.7-167.8160.300112.5T14 L15 K16 K21 L32T14-E18 WeakPolarHBondContact O-CB 3.25Å; T14-E18 WeakPolarHBondContact O-CG 3.34Å; T14-E18 PolarHBondContact O-N 2.92Å; L15-E18 PolarHBondContact O-N 3.39Å; K16-E18 VanDerWaalsContact C-N 3.33Å; E18-K21 PolarHBondContact O-N 3.43Å; E18-L32 VanDerWaalsContact OE2-CD1 3.31Å; E18-L32 WeakPolarHBondContact OE2-CD1 3.37Å
19W56.5Low56.9Low76 Ų7679.5 Ų79.529%0.28841%0.409SS..Hα-helixtrans-69.3-37.2175.4-167-97000112.9L15 K16 K21 I67 L70 W71 L74L15-W19 VanDerWaalsContact O-CB 3.28Å; L15-W19 WeakPolarHBondContact O-CB 3.21Å; L15-W19 PolarHBondContact O-N 3.5Å; K16-W19 PolarHBondContact O-N 2.89Å; W19-K21 PolarHBondContact O-N 3.21Å; W19-I67 HydrophobicContact CD2-CG2 3.83Å; W19-I67 HydrophobicContact CE3-CG2 3.51Å; W19-I67 HydrophobicContact CG-CG2 4.36Å; W19-I67 HydrophobicContact CZ3-CG2 3.95Å; W19-L70 HydrophobicContact CH2-CB 3.33Å; W19-L70 HydrophobicContact CH2-CD1 4.47Å; W19-L70 HydrophobicContact CZ2-CB 3.55Å; W19-L70 HydrophobicContact CZ2-CD1 3.84Å; W19-L70 HydrophobicContact CZ2-CG 4.32Å; W19-L70 HydrophobicContact CZ3-CB 4.3Å; W19-W71 HydrophobicContact CZ3-CB 4.11Å; W19-L74 HydrophobicContact CH2-CD1 3.77Å; W19-L74 HydrophobicContact CZ3-CD1 4.12Å
20N59.2Low57.2Low139 Ų13978.5 Ų78.574%0.74340%0.402SS*.THydrogen-bonded Turntrans-71.4-12.7174.5-77.1-25.1000113.1K16K16-N20 WeakPolarHBondContact O-CB 3.47Å; K16-N20 PolarHBondContact O-N 3.31Å; K16-N20 PolarHBondContact O-ND2 3.41Å
21K54.6Low57.6Low148 Ų14882 Ų8264%0.64341%0.414SS*.SBendtrans-80.9121.6169.2-77.7-178.5177.5176.40109.1A17 E18 W19 N23A17-K21 PolarHBondContact O-N 2.59Å; E18-K21 PolarHBondContact O-N 3.43Å; W19-K21 PolarHBondContact O-N 3.21Å; K21-N23 CarbonylContact O-C 3.53Å; K21-N23 PolarHBondContact O-N 2.96Å
22K43.9Very low57.9Low207 Ų20781.4 Ų81.490%0.941%0.41SS*.SBendtrans-53.2-6.1-177.3-135.4174.5-177.2-179.10116.5
23N38.5Very low58.3Low144 Ų14480.9 Ų80.977%0.7741%0.408SS*.SBendtrans-134.995.5170.5-83-53.1000108.8K21 N25K21-N23 CarbonylContact O-C 3.53Å; K21-N23 PolarHBondContact O-N 2.96Å; N23-N25 PolarHBondContact O-N 3.17Å
24P51.8Low58.6Low34 Ų3477.5 Ų77.522%0.22140%0.4CS..  trans-67128177.6-17.831.3000109.9L26 L74P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 HydrophobicContact CB-CD1 4.49Å; P24-L26 WeakPolarHBondContact O-CD1 3.49Å; P24-L26 PolarHBondContact O-N 2.92Å; P24-L74 HydrophobicContact CG-CD1 4.26Å
25N51.5Low58.9Low97 Ų9780.6 Ų80.652%0.51941%0.408SS..  trans-71.892.5167.9-81.7-47.4000108.1N23 N27 K28 C29N23-N25 PolarHBondContact O-N 3.17Å; N25-N27 PolarHBondContact O-N 2.98Å; N25-K28 HydrophobicContact CB-CB 4Å; N25-K28 HydrophobicContact CB-CD 4.16Å; N25-K28 HydrophobicContact CB-CG 4.12Å; N25-K28 PolarHBondContact O-N 3.05Å; N25-C29 PolarHBondContact O-N 2.62Å; N25-C29 VanDerWaalsContact O-N 3.08Å
26L58.7Low59.2Low56 Ų5680.5 Ų80.529%0.29341%0.408SS..Hα-helixtrans-50.2-39.8-174.4-9773.1000112.2P24 G30 W71 K75P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 HydrophobicContact CB-CD1 4.49Å; P24-L26 WeakPolarHBondContact O-CD1 3.49Å; P24-L26 PolarHBondContact O-N 2.92Å; L26-G30 PolarHBondContact O-N 3.02Å; L26-W71 VanDerWaalsContact CA-NE1 3.33Å; L26-W71 VanDerWaalsContact O-CE2 3.22Å; L26-W71 WeakPolarHBondContact O-CZ2 3.34Å; L26-W71 PolarHBondContact O-NE1 3.37Å; L26-K75 HydrophobicContact CD2-CB 3.61Å; L26-K75 HydrophobicContact CD2-CD 4.44Å; L26-K75 HydrophobicContact CD2-CG 3.88Å
27N60.8Low59.5Low121 Ų12179.9 Ų79.965%0.64741%0.405SS*.Hα-helixtrans-71.1-37.7-178.2-65.2-21.5000113.3N25 G30 D31N25-N27 PolarHBondContact O-N 2.98Å; N27-G30 PolarHBondContact O-N 2.73Å; N27-D31 PolarHBondContact O-N 2.76Å
28K61.3Low59.9Low120 Ų12081 Ų8152%0.52241%0.406SS..Hα-helixtrans-69.9-39.8177.1-70-173176.7-176.80111.6N25 G30 D31 L32N25-K28 HydrophobicContact CB-CB 4Å; N25-K28 HydrophobicContact CB-CD 4.16Å; N25-K28 HydrophobicContact CB-CG 4.12Å; N25-K28 PolarHBondContact O-N 3.05Å; K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 3.23Å; K28-D31 PolarHBondContact O-N 2.9Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 3.29Å
29C58.8Low60Low5 Ų580 Ų803%0.03440%0.404CS..Hα-helixtrans-62.3-36.7172.1-61.90000111.4N25 L33 W71N25-C29 PolarHBondContact O-N 2.62Å; N25-C29 VanDerWaalsContact O-N 3.08Å; C29-L33 WeakPolarHBondContact O-CB 3.45Å; C29-L33 WeakPolarHBondContact O-CD1 2.98Å; C29-L33 WeakPolarHBondContact O-CG 3.35Å; C29-L33 PolarHBondContact O-N 3.28Å; C29-W71 HydrophobicContact CB-CG 4.27Å
30G61.6Low60.3Low11 Ų1177 Ų7711%0.11339%0.393CS..Hα-helixtrans-64-42.6174.900000113.5L26 N27 K28 S34L26-G30 PolarHBondContact O-N 3.02Å; N27-G30 PolarHBondContact O-N 2.73Å; K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 3.23Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.44Å; G30-S34 PolarHBondContact O-OG 3.5Å
31D67.6Low60.6Low104 Ų10475.8 Ų75.856%0.55639%0.386SS*.Hα-helixtrans-69.9-40.5176.4-70.2-25.6000111.9N27 K28 S34 K35N27-D31 PolarHBondContact O-N 2.76Å; K28-D31 PolarHBondContact O-N 2.9Å; D31-S34 PolarHBondContact O-N 2.88Å; D31-K35 WeakPolarHBondContact O-CG 3.15Å; D31-K35 PolarHBondContact O-N 3.17Å
32L66.1Low60.9Low29 Ų2975.8 Ų75.815%0.15239%0.389CS..Hα-helixtrans-65.5-41.9175.3-73.3170.4000111.6L11 L15 E18 K28 S34 K35 L36L11-L32 HydrophobicContact CD2-CD2 3.65Å; L15-L32 HydrophobicContact CD1-CB 4.45Å; E18-L32 VanDerWaalsContact OE2-CD1 3.31Å; E18-L32 WeakPolarHBondContact OE2-CD1 3.37Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 VanDerWaalsContact O-CG 3.28Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 3.29Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.22Å; L32-K35 PolarHBondContact O-N 3.49Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 2.97Å; L32-L36 WeakPolarHBondContact O-CD1 3.49Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 2.94Å
33L67.2Low61.6Low5 Ų568.1 Ų68.13%0.02636%0.357CS..Hα-helixtrans-64.4-37.7174.4-78.3166000111.8L15 C29 L36 K37 V64 W71L15-L33 HydrophobicContact CD1-CD2 4.13Å; L15-L33 HydrophobicContact CD1-CG 4.19Å; C29-L33 WeakPolarHBondContact O-CB 3.45Å; C29-L33 WeakPolarHBondContact O-CD1 2.98Å; C29-L33 WeakPolarHBondContact O-CG 3.35Å; C29-L33 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 VanDerWaalsContact O-CG 3.28Å; L33-K37 WeakPolarHBondContact O-CG 3.46Å; L33-K37 PolarHBondContact O-N 2.87Å; L33-V64 HydrophobicContact CD2-CG1 4.19Å; L33-W71 HydrophobicContact CD1-CB 4.35Å; L33-W71 HydrophobicContact CD1-CD2 3.97Å; L33-W71 HydrophobicContact CD1-CE3 3.82Å; L33-W71 HydrophobicContact CD1-CG 4.21Å; L33-W71 HydrophobicContact CD1-CZ3 4.41Å
34S68.4Low62.2Low69 Ų6966.3 Ų66.348%0.48335%0.348SS..Hα-helixtrans-67.3-43.3177.1-59.40000111.2G30 D31 L32 K37 V38G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.44Å; G30-S34 PolarHBondContact O-OG 3.5Å; D31-S34 PolarHBondContact O-N 2.88Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.22Å; S34-K37 PolarHBondContact O-N 3.42Å; S34-V38 WeakPolarHBondContact O-CG2 3.32Å; S34-V38 PolarHBondContact O-N 3.01Å; S34-V38 VanDerWaalsContact O-N 3.1Å
35K66.9Low62.2Low133 Ų13368.3 Ų68.358%0.57835%0.353SS*.Hα-helixtrans-63.8-43.6173.6-72.2175.9-178.7-179.40112D31 L32 K37 V38 S39D31-K35 WeakPolarHBondContact O-CG 3.15Å; D31-K35 PolarHBondContact O-N 3.17Å; L32-K35 PolarHBondContact O-N 3.49Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.16Å; K35-V38 PolarHBondContact O-N 2.9Å; K35-S39 PolarHBondContact O-N 3.19Å; K35-S39 PolarHBondContact O-OG 3.34Å
36L67.3Low62.1Low1 Ų169.6 Ų69.61%0.00536%0.359CS..Hα-helixtrans-61.6-40.4174.7-82.8160.7000111.7T8 L11 L15 L32 L33 V38 S39 L40 V64T8-L36 HydrophobicContact CG2-CD2 4.31Å; L11-L36 HydrophobicContact CB-CD1 4.35Å; L11-L36 HydrophobicContact CB-CD2 3.83Å; L11-L36 HydrophobicContact CB-CG 4.11Å; L11-L36 HydrophobicContact CD1-CD2 4.26Å; L11-L36 HydrophobicContact CD1-CG 4.37Å; L15-L36 HydrophobicContact CD1-CD1 3.73Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 2.97Å; L32-L36 WeakPolarHBondContact O-CD1 3.49Å; L32-L36 WeakPolarHBondContact O-CG 3.34Å; L32-L36 PolarHBondContact O-N 2.94Å; L33-L36 PolarHBondContact O-N 3.3Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.03Å; L36-S39 PolarHBondContact O-N 3.26Å; L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.2Å; L36-L40 WeakPolarHBondContact O-CD1 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 2.86Å; L36-V64 HydrophobicContact CB-CG1 4.31Å; L36-V64 HydrophobicContact CD1-CG1 4.14Å; L36-V64 HydrophobicContact CD2-CG2 4.5Å
37K69.1Low61.5Low76 Ų7670 Ų7033%0.3337%0.366SS..Hα-helixtrans-60.8-41.2174.5-82.1177.6174.8-177.40112.3L33 S34 K35 L40 L41 Y84L33-K37 WeakPolarHBondContact O-CB 3.48Å; L33-K37 VanDerWaalsContact O-CG 3.28Å; L33-K37 WeakPolarHBondContact O-CG 3.46Å; L33-K37 PolarHBondContact O-N 2.87Å; S34-K37 PolarHBondContact O-N 3.42Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.16Å; K37-L40 PolarHBondContact O-N 2.95Å; K37-L41 WeakPolarHBondContact O-CB 3.28Å; K37-L41 WeakPolarHBondContact O-CD1 3.37Å; K37-L41 WeakPolarHBondContact O-CG 3.28Å; K37-L41 PolarHBondContact O-N 2.85Å; K37-Y84 VanDerWaalsContact CE-CZ 3.41Å; K37-Y84 WeakPolarHBondContact CE-OH 3.41Å; K37-Y84 PolarHBondContact NZ-OH 3.36Å
38V69.9Low60.5Low81 Ų8168.1 Ų68.149%0.49136%0.358SS..Hα-helixtrans-65.9-48.1176.6175.60000110.5S34 K35 L36 L40 L41 E42S34-V38 WeakPolarHBondContact O-CG2 3.32Å; S34-V38 PolarHBondContact O-N 3.01Å; S34-V38 VanDerWaalsContact O-N 3.1Å; K35-V38 PolarHBondContact O-N 2.9Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.03Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 3.31Å; V38-L41 WeakPolarHBondContact O-CB 3.38Å; V38-L41 PolarHBondContact O-N 3.26Å; V38-E42 WeakPolarHBondContact O-CG 3.26Å; V38-E42 PolarHBondContact O-N 3.3Å; V38-E42 VanDerWaalsContact O-N 3.1Å
39S60.4Low59.6Low25 Ų2568.8 Ų68.818%0.17538%0.378CS..Hα-helixtrans-64.5-30.1176.9-60.60000113.4K35 L36 L43K35-S39 PolarHBondContact O-N 3.19Å; K35-S39 PolarHBondContact O-OG 3.34Å; L36-S39 PolarHBondContact O-N 3.26Å; S39-L43 WeakPolarHBondContact O-CD1 3.45Å; S39-L43 WeakPolarHBondContact O-CG 3.5Å
40L63.4Low58.9Low11 Ų1171.9 Ų71.96%0.05841%0.411CS..Hα-helixtrans-79.9-30.5174.9-68.4168000112.3L36 K37 V38 E42 L43 F45 A61 V64L36-L40 VanDerWaalsContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CB 3.2Å; L36-L40 WeakPolarHBondContact O-CD1 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 2.86Å; K37-L40 PolarHBondContact O-N 2.95Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 3.31Å; L40-E42 VanDerWaalsContact C-N 3.31Å; L40-L43 HydrophobicContact CD2-CD1 4.24Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L40-F45 HydrophobicContact CB-CE1 3.87Å; L40-F45 HydrophobicContact CB-CE2 3.62Å; L40-F45 HydrophobicContact CB-CZ 3.15Å; L40-F45 HydrophobicContact CD1-CZ 4.14Å; L40-F45 HydrophobicContact CG-CZ 4.21Å; L40-F45 WeakPolarHBondContact O-CD2 3.26Å; L40-F45 WeakPolarHBondContact O-CE2 3.32Å; L40-A61 HydrophobicContact CD2-CB 4.04Å; L40-V64 HydrophobicContact CD1-CG1 4.22Å
41L65.1Low57.9Low114 Ų11475.1 Ų75.160%0.59743%0.432SS*.Hα-helixtrans-61.7-41.4171.3-92.2154.5000111K37 V38 L43 N44 F45K37-L41 WeakPolarHBondContact O-CB 3.28Å; K37-L41 WeakPolarHBondContact O-CD1 3.37Å; K37-L41 WeakPolarHBondContact O-CG 3.28Å; K37-L41 PolarHBondContact O-N 2.85Å; V38-L41 WeakPolarHBondContact O-CB 3.38Å; V38-L41 PolarHBondContact O-N 3.26Å; L41-L43 PolarHBondContact O-N 3.4Å; L41-N44 PolarHBondContact O-N 3.1Å; L41-N44 VanDerWaalsContact O-N 3.14Å; L41-F45 HydrophobicContact CB-CD2 4.4Å; L41-F45 HydrophobicContact CB-CE2 4.26Å; L41-F45 HydrophobicContact CD2-CD2 4.14Å; L41-F45 HydrophobicContact CD2-CE2 4.46Å; L41-F45 HydrophobicContact CG-CD2 4.02Å; L41-F45 HydrophobicContact CG-CE2 3.87Å
42E61.1Low56.8Low148 Ų14875.3 Ų75.369%0.69245%0.448SS*.THydrogen-bonded Turntrans-63.9-22.3174.8-69.9175.317700113.2V38 L40 N44V38-E42 WeakPolarHBondContact O-CG 3.26Å; V38-E42 PolarHBondContact O-N 3.3Å; V38-E42 VanDerWaalsContact O-N 3.1Å; L40-E42 VanDerWaalsContact C-N 3.31Å; E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 3.39Å
43L57.5Low56.2Low46 Ų4676.5 Ų76.524%0.24145%0.454CS..THydrogen-bonded Turntrans-85.66.2177.2-70.8165.7000113.6L1 S39 L40 L41L1-L43 HydrophobicContact CD2-CD2 4.17Å; S39-L43 WeakPolarHBondContact O-CD1 3.45Å; S39-L43 WeakPolarHBondContact O-CG 3.5Å; L40-L43 HydrophobicContact CD2-CD1 4.24Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L41-L43 PolarHBondContact O-N 3.4Å
44N51.6Low55.7Low107 Ų10779 Ų7957%0.57247%0.469SS*.  trans58.689.8175.8-140.620.1000113.2L41 E42 L46L41-N44 PolarHBondContact O-N 3.1Å; L41-N44 VanDerWaalsContact O-N 3.14Å; E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 3.39Å; N44-L46 PolarHBondContact O-N 3.42Å; N44-L46 VanDerWaalsContact O-N 3.16Å
45F52.4Low55.3Low76 Ų7681 Ų8133%0.33347%0.469SS..  trans-66.1-9.3-175.1-85.4-64.1000117L40 L41 Y91L40-F45 HydrophobicContact CB-CE1 3.87Å; L40-F45 HydrophobicContact CB-CE2 3.62Å; L40-F45 HydrophobicContact CB-CZ 3.15Å; L40-F45 HydrophobicContact CD1-CZ 4.14Å; L40-F45 HydrophobicContact CG-CZ 4.21Å; L40-F45 WeakPolarHBondContact O-CD2 3.26Å; L40-F45 WeakPolarHBondContact O-CE2 3.32Å; L41-F45 HydrophobicContact CB-CD2 4.4Å; L41-F45 HydrophobicContact CB-CE2 4.26Å; L41-F45 HydrophobicContact CD2-CD2 4.14Å; L41-F45 HydrophobicContact CD2-CE2 4.46Å; L41-F45 HydrophobicContact CG-CD2 4.02Å; L41-F45 HydrophobicContact CG-CE2 3.87Å; F45-Y91 WeakPolarHBondContact CD1-OH 3.04Å; F45-Y91 WeakPolarHBondContact CE1-OH 2.95Å
46L48.8Very low55Low123 Ų12381.3 Ų81.364%0.64447%0.473SS*.SBendtrans-82.1129179.6-71.3165.5000108.7N44 T48N44-L46 PolarHBondContact O-N 3.42Å; N44-L46 VanDerWaalsContact O-N 3.16Å; L46-T48 PolarHBondContact O-N 2.92Å
47P47.3Very low54.9Low66 Ų6682.8 Ų82.843%0.42948%0.48SS..  trans-64.782.3166.124-23.9000107.7S49P47-S49 PolarHBondContact O-N 3.48Å; P47-S49 VanDerWaalsContact O-N 3.13Å
48T39.6Very low54.8Low81 Ų8180.2 Ų80.250%0.49747%0.47SS..  trans-68.5107.4162-68.60000104.5L46 G50L46-T48 PolarHBondContact O-N 2.92Å; T48-G50 PolarHBondContact O-N 2.9Å
49S42.6Very low54.8Low133 Ų13379 Ų7993%0.9346%0.46SS*.THydrogen-bonded Turntrans-62.126.5-176.5-40.50000114.6P47P47-S49 PolarHBondContact O-N 3.48Å; P47-S49 VanDerWaalsContact O-N 3.13Å
50G42.9Very low55.3Low70 Ų7079 Ų7972%0.72246%0.457SS*.THydrogen-bonded Turntrans-139.2-3.1-165.200000116.3T48T48-G50 PolarHBondContact O-N 2.9Å
51S41.7Very low55.7Low79 Ų7978.7 Ų78.755%0.55246%0.457SS*.SBendtrans-133.8137.417058.80000110I53S51-I53 PolarHBondContact O-N 3.09Å
52A43.8Very low56.2Low108 Ų10874.2 Ų74.289%0.89343%0.432SS*.  trans-63.580.6174.800000109.3T54A52-T54 PolarHBondContact O-N 3.07Å
53I52.4Low56.8Low55 Ų5568.6 Ų68.628%0.28241%0.407SS..  trans-65127.2171.6-66.7165.5000106S51 K55 L58S51-I53 PolarHBondContact O-N 3.09Å; I53-K55 PolarHBondContact O-N 3.11Å; I53-L58 HydrophobicContact CG2-CD1 4.35Å; I53-L58 HydrophobicContact CG2-CG 4.21Å
54T57.8Low57.6Low58 Ų5866.7 Ų66.736%0.35640%0.397SS..  trans-52.9114.8-173-43.20000109.1A52 Q56 Q57 L58A52-T54 PolarHBondContact O-N 3.07Å; T54-Q56 HydrophobicContact CG2-CB 3.93Å; T54-Q56 HydrophobicContact CG2-CG 4.38Å; T54-Q56 PolarHBondContact O-N 3.35Å; T54-Q57 WeakPolarHBondContact O-CA 3.1Å; T54-Q57 WeakPolarHBondContact O-CB 3.27Å; T54-Q57 PolarHBondContact O-N 3Å; T54-Q57 PolarHBondContact OG1-OE1 3.35Å; T54-L58 PolarHBondContact O-N 2.93Å
55K59.3Low58.8Low109 Ų10961.8 Ų61.847%0.47437%0.371SS..Hα-helixtrans-46.1-32.6177.2-59.4-173.9179.4-158.80112.8I53 L58 I59 E98I53-K55 PolarHBondContact O-N 3.11Å; K55-L58 PolarHBondContact O-N 3.16Å; K55-I59 WeakPolarHBondContact O-CD1 3.38Å; K55-I59 VanDerWaalsContact O-CG1 3.23Å; K55-I59 WeakPolarHBondContact O-CG1 2.96Å; K55-I59 PolarHBondContact O-N 3.22Å; K55-E98 VanDerWaalsContact CE-CD 3.47Å; K55-E98 WeakPolarHBondContact CE-OE1 3.39Å; K55-E98 WeakPolarHBondContact CE-OE2 3.4Å; K55-E98 IonicContact NZ-OE1 2.73Å; K55-E98 PolarHBondContact NZ-OE1 3.47Å; K55-E98 IonicContact NZ-OE2 3.26Å; K55-E98 PolarHBondContact NZ-OE2 2.98Å
56Q61.8Low59.9Low141 Ų14158.8 Ų58.866%0.65936%0.358SS*.Hα-helixtrans-66.6-33.7175.4-61.3177.7-25.900114.5T54 L60T54-Q56 HydrophobicContact CG2-CB 3.93Å; T54-Q56 HydrophobicContact CG2-CG 4.38Å; T54-Q56 PolarHBondContact O-N 3.35Å; Q56-L60 VanDerWaalsContact O-CB 3.29Å; Q56-L60 WeakPolarHBondContact O-CB 3.39Å; Q56-L60 PolarHBondContact O-N 3.13Å
57Q64.5Low61.3Low31 Ų3154 Ų5415%0.14533%0.332CS..Hα-helixtrans-69.3-39.8175.1-71.2170.2-52.300111.3L5 T54 L60 A61L5-Q57 HydrophobicContact CD1-CG 3.7Å; L5-Q57 HydrophobicContact CD2-CG 4.09Å; L5-Q57 HydrophobicContact CG-CG 3.92Å; T54-Q57 WeakPolarHBondContact O-CA 3.1Å; T54-Q57 WeakPolarHBondContact O-CB 3.27Å; T54-Q57 PolarHBondContact O-N 3Å; T54-Q57 PolarHBondContact OG1-OE1 3.35Å; Q57-L60 PolarHBondContact O-N 3.2Å; Q57-A61 VanDerWaalsContact O-CB 3.3Å; Q57-A61 WeakPolarHBondContact O-CB 3.34Å; Q57-A61 PolarHBondContact O-N 3.06Å
58L66.8Low62.5Low23 Ų2350.8 Ų50.812%0.1231%0.312CS..Hα-helixtrans-67.1-42176-72.5165.9000111.7I53 T54 K55 A61 R62 Y91 Y95I53-L58 HydrophobicContact CG2-CD1 4.35Å; I53-L58 HydrophobicContact CG2-CG 4.21Å; T54-L58 PolarHBondContact O-N 2.93Å; K55-L58 PolarHBondContact O-N 3.16Å; L58-A61 PolarHBondContact O-N 2.88Å; L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.01Å; L58-Y91 HydrophobicContact CD2-CD1 4.45Å; L58-Y91 HydrophobicContact CD2-CE1 4.04Å; L58-Y95 HydrophobicContact CD1-CD1 4.07Å; L58-Y95 HydrophobicContact CD1-CE1 3.37Å; L58-Y95 HydrophobicContact CD1-CE2 4.46Å; L58-Y95 HydrophobicContact CD2-CE1 4.38Å; L58-Y95 HydrophobicContact CD2-CE2 4.05Å; L58-Y95 WeakPolarHBondContact CD2-OH 3.36Å; L58-Y95 HydrophobicContact CG-CE1 4.47Å
59I70.3Confident64.3Low55 Ų5547 Ų4728%0.28229%0.288SS..Hα-helixtrans-59.8-47.9172.3-67162.6000110.5K55 A61 R62 D63 L99K55-I59 WeakPolarHBondContact O-CD1 3.38Å; K55-I59 VanDerWaalsContact O-CG1 3.23Å; K55-I59 WeakPolarHBondContact O-CG1 2.96Å; K55-I59 PolarHBondContact O-N 3.22Å; I59-A61 PolarHBondContact O-N 3.42Å; I59-R62 PolarHBondContact O-N 3.21Å; I59-D63 PolarHBondContact O-N 2.84Å; I59-L99 HydrophobicContact CD1-CD2 3.92Å; I59-L99 HydrophobicContact CG1-CD2 3.24Å
60L71.3Confident65.9Low24 Ų2441.5 Ų41.513%0.12625%0.249CC..Hα-helixtrans-61.6-45.2179.5-170.971.9000111.5Y12 Q56 Q57 D63 V64Y12-L60 HydrophobicContact CD1-CD1 3.32Å; Y12-L60 HydrophobicContact CD2-CD1 3.85Å; Y12-L60 HydrophobicContact CE1-CD1 3.62Å; Y12-L60 HydrophobicContact CE2-CD1 4.13Å; Y12-L60 HydrophobicContact CG-CD1 3.4Å; Y12-L60 HydrophobicContact CG-CG 4.46Å; Q56-L60 VanDerWaalsContact O-CB 3.29Å; Q56-L60 WeakPolarHBondContact O-CB 3.39Å; Q56-L60 PolarHBondContact O-N 3.13Å; Q57-L60 PolarHBondContact O-N 3.2Å; L60-D63 PolarHBondContact O-N 3.46Å; L60-V64 WeakPolarHBondContact O-CB 3.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.19Å
61A71Confident67.5Low6 Ų638.9 Ų38.95%0.0522%0.217CC..Hα-helixtrans-62.3-43.9177.400000111.5L40 Q57 L58 I59 V64 L65L40-A61 HydrophobicContact CD2-CB 4.04Å; Q57-A61 VanDerWaalsContact O-CB 3.3Å; Q57-A61 WeakPolarHBondContact O-CB 3.34Å; Q57-A61 PolarHBondContact O-N 3.06Å; L58-A61 PolarHBondContact O-N 2.88Å; I59-A61 PolarHBondContact O-N 3.42Å; A61-V64 PolarHBondContact O-N 3.22Å; A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 VanDerWaalsContact O-CG 3.24Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.37Å
62R75Confident69.1Low20 Ų2035.1 Ų35.18%0.07519%0.191CC..Hα-helixtrans-57.8-51.9175-176-168.768.1-173.8-0.7110.8L58 I59 V64 L65 E66 L88 Y92L58-R62 WeakPolarHBondContact O-CB 3.49Å; L58-R62 PolarHBondContact O-N 3.01Å; I59-R62 PolarHBondContact O-N 3.21Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 2.79Å; R62-L65 PolarHBondContact O-N 3.34Å; R62-L65 VanDerWaalsContact O-N 3.09Å; R62-E66 HydrophobicContact CG-CG 4.46Å; R62-E66 IonicContact NE-OE1 3.04Å; R62-E66 WeakPolarHBondContact O-CG 3.47Å; R62-E66 PolarHBondContact O-N 3.23Å; R62-L88 HydrophobicContact CG-CD2 4.32Å; R62-Y92 HydrophobicContact CG-CE1 4.48Å
63D74.3Confident70.6Confident30 Ų3030.3 Ų30.316%0.1615%0.15CC..Hα-helixtrans-64.9-35.5-177.4-64.1-1.4000111.7Y12 I59 L60 E66 I67Y12-D63 HydrophobicContact CE2-CB 3.58Å; Y12-D63 WeakPolarHBondContact OH-CB 3.44Å; Y12-D63 PolarHBondContact OH-OD2 3.1Å; I59-D63 PolarHBondContact O-N 2.84Å; L60-D63 PolarHBondContact O-N 3.46Å; D63-E66 PolarHBondContact O-N 3.1Å; D63-I67 VanDerWaalsContact O-CG1 3.29Å; D63-I67 WeakPolarHBondContact O-CG1 3.34Å; D63-I67 PolarHBondContact O-N 2.93Å
64V75.3Confident71.6Confident5 Ų531.8 Ų31.83%0.0316%0.158CC..Hα-helixtrans-62.7-43.2172.2169.60000111Y12 L33 L36 L40 L60 A61 R62 G68Y12-V64 HydrophobicContact CD2-CG2 3.53Å; Y12-V64 HydrophobicContact CE2-CG2 4.15Å; Y12-V64 HydrophobicContact CG-CG2 4.4Å; L33-V64 HydrophobicContact CD2-CG1 4.19Å; L36-V64 HydrophobicContact CB-CG1 4.31Å; L36-V64 HydrophobicContact CD1-CG1 4.14Å; L36-V64 HydrophobicContact CD2-CG2 4.5Å; L40-V64 HydrophobicContact CD1-CG1 4.22Å; L60-V64 WeakPolarHBondContact O-CB 3.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.19Å; A61-V64 PolarHBondContact O-N 3.22Å; R62-V64 VanDerWaalsContact C-N 3.31Å; R62-V64 PolarHBondContact O-N 2.79Å; V64-G68 PolarHBondContact O-N 3.37Å
65L75.8Confident72.4Confident5 Ų533.6 Ų33.63%0.02616%0.161CC..Hα-helixtrans-68.7-37.5178.4-69.5170.6000111.9A61 R62 G68 A69 Y84 L88 Y91A61-L65 WeakPolarHBondContact O-CB 3.42Å; A61-L65 VanDerWaalsContact O-CG 3.24Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.37Å; R62-L65 PolarHBondContact O-N 3.34Å; R62-L65 VanDerWaalsContact O-N 3.09Å; L65-G68 PolarHBondContact O-N 3.05Å; L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.01Å; L65-Y84 HydrophobicContact CD2-CD1 3.81Å; L65-Y84 HydrophobicContact CD2-CE1 4.08Å; L65-L88 HydrophobicContact CB-CD1 4.35Å; L65-L88 HydrophobicContact CB-CD2 3.53Å; L65-L88 HydrophobicContact CB-CG 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.43Å; L65-Y91 HydrophobicContact CD1-CD2 3.77Å; L65-Y91 HydrophobicContact CD1-CE2 3.3Å
66E76.8Confident73Confident12 Ų1234.9 Ų34.96%0.05617%0.166CC..Hα-helixtrans-60.5-48.4173.8-73.9177.6-169.900111.1R62 D63 G68 A69 L70 L88 Y92 L108R62-E66 HydrophobicContact CG-CG 4.46Å; R62-E66 IonicContact NE-OE1 3.04Å; R62-E66 WeakPolarHBondContact O-CG 3.47Å; R62-E66 PolarHBondContact O-N 3.23Å; D63-E66 PolarHBondContact O-N 3.1Å; E66-G68 VanDerWaalsContact C-N 3.3Å; E66-G68 PolarHBondContact O-N 3.04Å; E66-A69 PolarHBondContact O-N 3.39Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.36Å; E66-L88 HydrophobicContact CG-CD2 4.01Å; E66-Y92 PolarHBondContact OE1-OH 3.15Å; E66-Y92 VanDerWaalsContact OE1-OH 3.06Å; E66-L108 HydrophobicContact CG-CD2 4.5Å
67I76.2Confident73.8Confident22 Ų2230.5 Ų30.511%0.11315%0.147CC..Hα-helixtrans-66.9-35.9176.9-58.8164.8000110.7Y12 L15 K16 W19 D63 A69 L70 W71Y12-I67 HydrophobicContact CE2-CD1 4.15Å; L15-I67 HydrophobicContact CD2-CB 3.79Å; L15-I67 HydrophobicContact CD2-CD1 3.56Å; L15-I67 HydrophobicContact CD2-CG1 4.26Å; L15-I67 HydrophobicContact CD2-CG2 3.4Å; K16-I67 HydrophobicContact CG-CD1 4.37Å; W19-I67 HydrophobicContact CD2-CG2 3.83Å; W19-I67 HydrophobicContact CE3-CG2 3.51Å; W19-I67 HydrophobicContact CG-CG2 4.36Å; W19-I67 HydrophobicContact CZ3-CG2 3.95Å; D63-I67 VanDerWaalsContact O-CG1 3.29Å; D63-I67 WeakPolarHBondContact O-CG1 3.34Å; D63-I67 PolarHBondContact O-N 2.93Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 2.88Å; I67-L70 PolarHBondContact O-N 2.75Å; I67-W71 WeakPolarHBondContact O-CB 3.25Å; I67-W71 PolarHBondContact O-N 2.91Å
68G74.1Confident74.3Confident0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-59.3-42.617300000112.9V64 L65 E66 W71 S72V64-G68 PolarHBondContact O-N 3.37Å; L65-G68 PolarHBondContact O-N 3.05Å; E66-G68 VanDerWaalsContact C-N 3.3Å; E66-G68 PolarHBondContact O-N 3.04Å; G68-W71 PolarHBondContact O-N 3.48Å; G68-S72 PolarHBondContact O-N 3.04Å; G68-S72 PolarHBondContact O-OG 3.49Å
69A76.7Confident74.9Confident0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-65.5-45.4175.500000111.7L65 E66 I67 W71 S72 I73 F81 L88 L108L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.01Å; E66-A69 PolarHBondContact O-N 3.39Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 2.88Å; A69-W71 VanDerWaalsContact C-N 3.32Å; A69-W71 PolarHBondContact O-N 2.97Å; A69-S72 WeakPolarHBondContact O-CB 3.19Å; A69-S72 PolarHBondContact O-N 3.05Å; A69-I73 WeakPolarHBondContact O-CD1 3.43Å; A69-I73 WeakPolarHBondContact O-CG1 3.19Å; A69-I73 PolarHBondContact O-N 2.95Å; A69-I73 VanDerWaalsContact O-N 3.08Å; A69-F81 HydrophobicContact CB-CD2 4.2Å; A69-F81 HydrophobicContact CB-CE2 4.12Å; A69-L88 HydrophobicContact CB-CD1 4.07Å; A69-L108 HydrophobicContact CB-CD1 4.36Å; A69-L108 HydrophobicContact CB-CD2 4.2Å
70L75.9Confident75.3Confident19 Ų1934.1 Ų34.110%0.09918%0.175CC..Hα-helixtrans-60-40.9174.9-67.5173.8000112.4W19 E66 I67 I73 L74 L108W19-L70 HydrophobicContact CH2-CB 3.33Å; W19-L70 HydrophobicContact CH2-CD1 4.47Å; W19-L70 HydrophobicContact CZ2-CB 3.55Å; W19-L70 HydrophobicContact CZ2-CD1 3.84Å; W19-L70 HydrophobicContact CZ2-CG 4.32Å; W19-L70 HydrophobicContact CZ3-CB 4.3Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.36Å; I67-L70 PolarHBondContact O-N 2.75Å; L70-I73 HydrophobicContact CD2-CD1 4.28Å; L70-I73 PolarHBondContact O-N 2.8Å; L70-L74 PolarHBondContact O-N 2.96Å; L70-L108 HydrophobicContact CD2-CD1 3.93Å; L70-L108 HydrophobicContact CG-CD1 3.95Å
71W76.9Confident75.7Confident15 Ų1533 Ų336%0.05717%0.169CC..Hα-helixtrans-64.5-42.4173.7175.485.8000112.4W19 L26 C29 L33 I67 G68 A69 I73 L74 K75W19-W71 HydrophobicContact CZ3-CB 4.11Å; L26-W71 VanDerWaalsContact CA-NE1 3.33Å; L26-W71 VanDerWaalsContact O-CE2 3.22Å; L26-W71 WeakPolarHBondContact O-CZ2 3.34Å; L26-W71 PolarHBondContact O-NE1 3.37Å; C29-W71 HydrophobicContact CB-CG 4.27Å; L33-W71 HydrophobicContact CD1-CB 4.35Å; L33-W71 HydrophobicContact CD1-CD2 3.97Å; L33-W71 HydrophobicContact CD1-CE3 3.82Å; L33-W71 HydrophobicContact CD1-CG 4.21Å; L33-W71 HydrophobicContact CD1-CZ3 4.41Å; I67-W71 WeakPolarHBondContact O-CB 3.25Å; I67-W71 PolarHBondContact O-N 2.91Å; G68-W71 PolarHBondContact O-N 3.48Å; A69-W71 VanDerWaalsContact C-N 3.32Å; A69-W71 PolarHBondContact O-N 2.97Å; W71-I73 PolarHBondContact O-N 2.95Å; W71-L74 PolarHBondContact O-N 3.11Å; W71-L74 VanDerWaalsContact O-N 3.14Å; W71-K75 HydrophobicContact CH2-CD 3.37Å; W71-K75 HydrophobicContact CZ2-CD 3.47Å; W71-K75 VanDerWaalsContact CZ2-CD 3.47Å; W71-K75 HydrophobicContact CZ3-CD 4.05Å; W71-K75 PolarHBondContact O-N 3.26Å
72S75.8Confident76.2Confident0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-60-33.9176.5-75.90000112.5G68 A69 K75 K76 D77 Y84G68-S72 PolarHBondContact O-N 3.04Å; G68-S72 PolarHBondContact O-OG 3.49Å; A69-S72 WeakPolarHBondContact O-CB 3.19Å; A69-S72 PolarHBondContact O-N 3.05Å; S72-K75 PolarHBondContact O-N 3.38Å; S72-K76 PolarHBondContact O-N 3.31Å; S72-D77 PolarHBondContact O-N 3.44Å; S72-Y84 WeakPolarHBondContact OG-CD2 3.44Å; S72-Y84 WeakPolarHBondContact OG-CE2 3.32Å
73I75.1Confident76.6Confident7 Ų744.7 Ų44.74%0.03622%0.215CC..Hα-helixtrans-67.6-45.4174.3-64152.8000111.1A69 L70 W71 K75 K76 F81 L111 F176A69-I73 WeakPolarHBondContact O-CD1 3.43Å; A69-I73 WeakPolarHBondContact O-CG1 3.19Å; A69-I73 PolarHBondContact O-N 2.95Å; A69-I73 VanDerWaalsContact O-N 3.08Å; L70-I73 HydrophobicContact CD2-CD1 4.28Å; L70-I73 PolarHBondContact O-N 2.8Å; W71-I73 PolarHBondContact O-N 2.95Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 3.35Å; I73-K76 WeakPolarHBondContact O-CA 3.42Å; I73-K76 PolarHBondContact O-N 2.88Å; I73-F81 HydrophobicContact CD1-CD2 3.87Å; I73-F81 HydrophobicContact CD1-CE2 3.59Å; I73-F81 HydrophobicContact CD1-CZ 4.43Å; I73-F81 HydrophobicContact CG1-CD2 3.62Å; I73-F81 HydrophobicContact CG1-CE2 3.83Å; I73-F81 HydrophobicContact CG1-CG 4.31Å; I73-L111 HydrophobicContact CD1-CD1 3.54Å; I73-L111 HydrophobicContact CD1-CD2 3.27Å; I73-L111 HydrophobicContact CD1-CG 4.02Å; I73-L111 HydrophobicContact CG1-CD2 3.92Å; I73-F176 HydrophobicContact CB-CE2 4.38Å; I73-F176 HydrophobicContact CD1-CE2 4.42Å; I73-F176 HydrophobicContact CG1-CE2 3.9Å; I73-F176 HydrophobicContact CG1-CZ 4.03Å; I73-F176 HydrophobicContact CG2-CE2 3.64Å; I73-F176 HydrophobicContact CG2-CZ 4.23Å
74L73Confident76.8Confident85 Ų8543.8 Ų43.845%0.44521%0.21SC..Hα-helixtrans-62.6-36.5176.4-68.8175.6000112.1W19 P24 L70 W71 K76W19-L74 HydrophobicContact CH2-CD1 3.77Å; W19-L74 HydrophobicContact CZ3-CD1 4.12Å; P24-L74 HydrophobicContact CG-CD1 4.26Å; L70-L74 PolarHBondContact O-N 2.96Å; W71-L74 PolarHBondContact O-N 3.11Å; W71-L74 VanDerWaalsContact O-N 3.14Å; L74-K76 PolarHBondContact O-N 3.35Å
75K74.4Confident76.9Confident96 Ų9643.6 Ų43.642%0.41721%0.209SC..THydrogen-bonded Turntrans-75.2-9.8174.2-168.2167.1177.9-1750113.4L26 W71 S72 I73 D77L26-K75 HydrophobicContact CD2-CB 3.61Å; L26-K75 HydrophobicContact CD2-CD 4.44Å; L26-K75 HydrophobicContact CD2-CG 3.88Å; W71-K75 HydrophobicContact CH2-CD 3.37Å; W71-K75 HydrophobicContact CZ2-CD 3.47Å; W71-K75 VanDerWaalsContact CZ2-CD 3.47Å; W71-K75 HydrophobicContact CZ3-CD 4.05Å; W71-K75 PolarHBondContact O-N 3.26Å; S72-K75 PolarHBondContact O-N 3.38Å; I73-K75 VanDerWaalsContact C-N 3.28Å; I73-K75 PolarHBondContact O-N 3.35Å; K75-D77 VanDerWaalsContact C-N 3.26Å; K75-D77 PolarHBondContact O-N 3.42Å
76K72Confident77.1Confident136 Ų13645.9 Ų45.959%0.59123%0.228SC*.THydrogen-bonded Turntrans6033.2-177.2-53.1-179.1171.6-171.90113.2S72 I73 L74 I78 F175S72-K76 PolarHBondContact O-N 3.31Å; I73-K76 WeakPolarHBondContact O-CA 3.42Å; I73-K76 PolarHBondContact O-N 2.88Å; L74-K76 PolarHBondContact O-N 3.35Å; K76-I78 PolarHBondContact O-N 2.97Å; K76-F175 HydrophobicContact CB-CE1 4.21Å; K76-F175 HydrophobicContact CB-CE2 4.11Å; K76-F175 HydrophobicContact CB-CZ 3.61Å; K76-F175 HydrophobicContact CD-CD2 4.08Å; K76-F175 HydrophobicContact CD-CE2 3.36Å; K76-F175 HydrophobicContact CD-CZ 3.78Å; K76-F175 HydrophobicContact CG-CD2 4.12Å; K76-F175 HydrophobicContact CG-CE1 4.14Å; K76-F175 HydrophobicContact CG-CE2 3.51Å; K76-F175 HydrophobicContact CG-CZ 3.5Å
77D77.8Confident77.1Confident49 Ų4949.4 Ų49.426%0.26224%0.244SC..  trans-9793.4179.6-172.5-6.3000110.4S72 K75 P79 S80 F81S72-D77 PolarHBondContact O-N 3.44Å; K75-D77 VanDerWaalsContact C-N 3.26Å; K75-D77 PolarHBondContact O-N 3.42Å; D77-P79 WeakPolarHBondContact OD1-CD 3.27Å; D77-S80 PolarHBondContact O-N 3.39Å; D77-S80 PolarHBondContact OD1-N 3.29Å; D77-S80 PolarHBondContact OD1-OG 3.15Å; D77-S80 WeakPolarHBondContact OD2-CB 3.32Å; D77-S80 PolarHBondContact OD2-OG 3.23Å; D77-F81 WeakPolarHBondContact O-CB 3.42Å; D77-F81 PolarHBondContact O-N 3.14Å
78I75.8Confident77.1Confident71 Ų7148.3 Ų48.336%0.36424%0.239SC..Hα-helixtrans-61-51-176.6-67.3163.2000111.9K76 S80 F81 E82 F115K76-I78 PolarHBondContact O-N 2.97Å; I78-S80 PolarHBondContact O-N 3.12Å; I78-F81 PolarHBondContact O-N 3.45Å; I78-E82 PolarHBondContact O-N 3.14Å; I78-E82 VanDerWaalsContact O-N 3.08Å; I78-F115 HydrophobicContact CB-CE2 4.38Å; I78-F115 HydrophobicContact CG2-CE2 3.52Å; I78-F115 HydrophobicContact CG2-CZ 3.79Å
79P79.8Confident77Confident81 Ų8150.2 Ų50.253%0.52625%0.247SC..Hα-helixtrans-61.1-41.2177.6-24.732.2000113.8D77 F81 E82 R83D77-P79 WeakPolarHBondContact OD1-CD 3.27Å; P79-F81 VanDerWaalsContact C-N 3.33Å; P79-E82 PolarHBondContact O-N 2.94Å; P79-R83 WeakPolarHBondContact O-CG 3.48Å; P79-R83 PolarHBondContact O-N 3.01Å
80S77.8Confident76.8Confident33 Ų3353.5 Ų53.523%0.23127%0.27CS..Hα-helixtrans-65.7-39.8178.3-70.90000111.5D77 I78 R83 Y84D77-S80 PolarHBondContact O-N 3.39Å; D77-S80 PolarHBondContact OD1-N 3.29Å; D77-S80 PolarHBondContact OD1-OG 3.15Å; D77-S80 WeakPolarHBondContact OD2-CB 3.32Å; D77-S80 PolarHBondContact OD2-OG 3.23Å; I78-S80 PolarHBondContact O-N 3.12Å; S80-R83 PolarHBondContact O-N 2.89Å; S80-Y84 WeakPolarHBondContact O-CD2 3.36Å; S80-Y84 PolarHBondContact O-N 3.15Å
81F80.5Confident76.5Confident2 Ų254 Ų541%0.00927%0.27CS..Hα-helixtrans-60.1-45.8175.8175.4-103000111.9A69 I73 D77 I78 P79 R83 Y84 M85 L111 F115A69-F81 HydrophobicContact CB-CD2 4.2Å; A69-F81 HydrophobicContact CB-CE2 4.12Å; I73-F81 HydrophobicContact CD1-CD2 3.87Å; I73-F81 HydrophobicContact CD1-CE2 3.59Å; I73-F81 HydrophobicContact CD1-CZ 4.43Å; I73-F81 HydrophobicContact CG1-CD2 3.62Å; I73-F81 HydrophobicContact CG1-CE2 3.83Å; I73-F81 HydrophobicContact CG1-CG 4.31Å; D77-F81 WeakPolarHBondContact O-CB 3.42Å; D77-F81 PolarHBondContact O-N 3.14Å; I78-F81 PolarHBondContact O-N 3.45Å; P79-F81 VanDerWaalsContact C-N 3.33Å; F81-R83 VanDerWaalsContact C-N 3.31Å; F81-R83 PolarHBondContact O-N 3.31Å; F81-Y84 PolarHBondContact O-N 3.1Å; F81-M85 WeakPolarHBondContact O-CB 3.37Å; F81-M85 PolarHBondContact O-N 3.26Å; F81-L111 HydrophobicContact CE1-CD2 4.06Å; F81-L111 HydrophobicContact CE2-CD2 3.63Å; F81-L111 HydrophobicContact CZ-CD2 3.3Å; F81-F115 HydrophobicContact CD1-CD1 4.34Å; F81-F115 AromaticContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CE1 4.41Å; F81-F115 HydrophobicContact CD1-CE2 4.04Å; F81-F115 HydrophobicContact CD1-CG 4.08Å; F81-F115 HydrophobicContact CD1-CZ 4.2Å; F81-F115 HydrophobicContact CE1-CB 3.92Å; F81-F115 HydrophobicContact CE1-CD1 4.08Å; F81-F115 HydrophobicContact CE1-CD2 4.1Å; F81-F115 AromaticContact CE1-CG 3.78Å; F81-F115 HydrophobicContact CE1-CG 3.78Å
82E81.2Confident76.1Confident85 Ų8554.1 Ų54.140%0.39727%0.271SS..Hα-helixtrans-58.2-42.9177.3-174.2178.7-176.900111.9I78 P79 M85 A86 F115I78-E82 PolarHBondContact O-N 3.14Å; I78-E82 VanDerWaalsContact O-N 3.08Å; P79-E82 PolarHBondContact O-N 2.94Å; E82-M85 PolarHBondContact O-N 3.4Å; E82-A86 WeakPolarHBondContact O-CB 3.46Å; E82-A86 PolarHBondContact O-N 2.73Å; E82-F115 HydrophobicContact CB-CE1 4.37Å; E82-F115 HydrophobicContact CB-CZ 4.24Å
83R82.8Confident75.5Confident185 Ų18556.9 Ų56.970%0.69828%0.283SS*.Hα-helixtrans-63.7-45.2177.5-67177.481.4-179.17.8112.3P79 S80 F81 M85 A86 Q87P79-R83 WeakPolarHBondContact O-CG 3.48Å; P79-R83 PolarHBondContact O-N 3.01Å; S80-R83 PolarHBondContact O-N 2.89Å; F81-R83 VanDerWaalsContact C-N 3.31Å; F81-R83 PolarHBondContact O-N 3.31Å; R83-M85 VanDerWaalsContact C-N 3.3Å; R83-A86 PolarHBondContact O-N 3.33Å; R83-Q87 WeakPolarHBondContact O-CG 3.39Å; R83-Q87 PolarHBondContact O-N 3.44Å
84Y79.2Confident74.9Confident11 Ų1161.6 Ų61.64%0.04331%0.308CS..Hα-helixtrans-63.9-39176.2-76-65.6000111.4K37 L65 S72 S80 F81 Q87 L88K37-Y84 VanDerWaalsContact CE-CZ 3.41Å; K37-Y84 WeakPolarHBondContact CE-OH 3.41Å; K37-Y84 PolarHBondContact NZ-OH 3.36Å; L65-Y84 HydrophobicContact CD2-CD1 3.81Å; L65-Y84 HydrophobicContact CD2-CE1 4.08Å; S72-Y84 WeakPolarHBondContact OG-CD2 3.44Å; S72-Y84 WeakPolarHBondContact OG-CE2 3.32Å; S80-Y84 WeakPolarHBondContact O-CD2 3.36Å; S80-Y84 PolarHBondContact O-N 3.15Å; F81-Y84 PolarHBondContact O-N 3.1Å; Y84-Q87 PolarHBondContact O-N 3.14Å; Y84-L88 WeakPolarHBondContact O-CB 3.28Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.3Å; Y84-L88 PolarHBondContact O-N 3.41Å
85M78.2Confident74Confident2 Ų259.3 Ų59.31%0.0129%0.294CS..Hα-helixtrans-66.7-41.8178-169.565.1-164.200111.9F81 E82 R83 Q87 L88 K89 L108 L109 N112F81-M85 WeakPolarHBondContact O-CB 3.37Å; F81-M85 PolarHBondContact O-N 3.26Å; E82-M85 PolarHBondContact O-N 3.4Å; R83-M85 VanDerWaalsContact C-N 3.3Å; M85-Q87 VanDerWaalsContact C-N 3.29Å; M85-Q87 PolarHBondContact O-N 3.18Å; M85-L88 PolarHBondContact O-N 3.26Å; M85-K89 HydrophobicContact CE-CG 4.07Å; M85-K89 VanDerWaalsContact O-CG 3.29Å; M85-K89 WeakPolarHBondContact O-CG 3.32Å; M85-K89 PolarHBondContact O-N 3.3Å; M85-L108 HydrophobicContact SD-CD2 4.25Å; M85-L109 HydrophobicContact CE-CD1 4.2Å; M85-N112 HydrophobicContact CE-CB 3.38Å; M85-N112 HydrophobicContact CG-CB 4.04Å; M85-N112 WeakPolarHBondContact CG-OD1 3.41Å; M85-N112 HydrophobicContact SD-CB 3.78Å
86A78.6Confident73.1Confident53 Ų5360.7 Ų60.744%0.43830%0.3SS..Hα-helixtrans-59.1-41.9175.400000111.6E82 R83 C90E82-A86 WeakPolarHBondContact O-CB 3.46Å; E82-A86 PolarHBondContact O-N 2.73Å; R83-A86 PolarHBondContact O-N 3.33Å; A86-C90 PolarHBondContact O-N 3.06Å; A86-C90 PolarHBondContact O-SG 2.7Å
87Q77.3Confident72.1Confident85 Ų8562.2 Ų62.240%0.39732%0.315SS..Hα-helixtrans-65.9-46.3175.4-69.1175.8-11.300111.8R83 Y84 M85 K89 C90 Y91R83-Q87 WeakPolarHBondContact O-CG 3.39Å; R83-Q87 PolarHBondContact O-N 3.44Å; Y84-Q87 PolarHBondContact O-N 3.14Å; M85-Q87 VanDerWaalsContact C-N 3.29Å; M85-Q87 PolarHBondContact O-N 3.18Å; Q87-K89 VanDerWaalsContact C-N 3.3Å; Q87-K89 PolarHBondContact O-N 3.1Å; Q87-C90 WeakPolarHBondContact O-CB 3.2Å; Q87-C90 PolarHBondContact O-N 2.7Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.03Å; Q87-Y91 PolarHBondContact O-N 3.38Å
88L76.6Confident70.6Confident0 Ų064.8 Ų64.80%033%0.325CS..Hα-helixtrans-61.4-36.8178-77.8167.4000112.7R62 L65 E66 A69 Y84 M85 C90 Y91 Y92 L108R62-L88 HydrophobicContact CG-CD2 4.32Å; L65-L88 HydrophobicContact CB-CD1 4.35Å; L65-L88 HydrophobicContact CB-CD2 3.53Å; L65-L88 HydrophobicContact CB-CG 3.87Å; L65-L88 HydrophobicContact CD1-CD2 4.43Å; E66-L88 HydrophobicContact CG-CD2 4.01Å; A69-L88 HydrophobicContact CB-CD1 4.07Å; Y84-L88 WeakPolarHBondContact O-CB 3.28Å; Y84-L88 VanDerWaalsContact O-CG 3.31Å; Y84-L88 WeakPolarHBondContact O-CG 3.3Å; Y84-L88 PolarHBondContact O-N 3.41Å; M85-L88 PolarHBondContact O-N 3.26Å; L88-C90 VanDerWaalsContact C-N 3.35Å; L88-C90 PolarHBondContact O-N 3.04Å; L88-Y91 PolarHBondContact O-N 3.02Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; L88-Y92 HydrophobicContact CB-CD2 4.33Å; L88-Y92 HydrophobicContact CB-CE2 3.91Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; L88-Y92 PolarHBondContact O-N 3.29Å; L88-L108 HydrophobicContact CD1-CD2 3.35Å
89K72.7Confident69.3Low39 Ų3963.1 Ų63.117%0.1732%0.317CS..Hα-helixtrans-55.6-49.9173.5-75.7172.6179.8-171.40110.2M85 Q87 Y91 Y92 F93 E128M85-K89 HydrophobicContact CE-CG 4.07Å; M85-K89 VanDerWaalsContact O-CG 3.29Å; M85-K89 WeakPolarHBondContact O-CG 3.32Å; M85-K89 PolarHBondContact O-N 3.3Å; Q87-K89 VanDerWaalsContact C-N 3.3Å; Q87-K89 PolarHBondContact O-N 3.1Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.04Å; K89-Y92 PolarHBondContact O-N 3.14Å; K89-F93 HydrophobicContact CB-CD2 4.34Å; K89-F93 HydrophobicContact CB-CE2 4.14Å; K89-F93 HydrophobicContact CG-CE2 4.41Å; K89-F93 WeakPolarHBondContact O-CD2 3.49Å; K89-F93 PolarHBondContact O-N 3.41Å; K89-E128 VanDerWaalsContact CE-OE1 3.27Å; K89-E128 WeakPolarHBondContact CE-OE1 3.46Å; K89-E128 IonicContact NZ-OE1 3.41Å; K89-E128 PolarHBondContact NZ-OE1 3.37Å
90C71.9Confident67.7Low70 Ų7064 Ų6447%0.47332%0.323SS..Hα-helixtrans-53.9-43.7177.3-55.30000112A86 Q87 L88 Y92 F93 D94A86-C90 PolarHBondContact O-N 3.06Å; A86-C90 PolarHBondContact O-SG 2.7Å; Q87-C90 WeakPolarHBondContact O-CB 3.2Å; Q87-C90 PolarHBondContact O-N 2.7Å; L88-C90 VanDerWaalsContact C-N 3.35Å; L88-C90 PolarHBondContact O-N 3.04Å; C90-Y92 PolarHBondContact O-N 3.26Å; C90-F93 PolarHBondContact O-N 2.83Å; C90-D94 WeakPolarHBondContact O-CB 3.45Å; C90-D94 VanDerWaalsContact O-CG 3.28Å; C90-D94 PolarHBondContact O-N 3.29Å
91Y68.6Low66.5Low28 Ų2866 Ų6611%0.1134%0.341CS..Hα-helixtrans-66.3-33.6177-67-71.9000114.3F45 L58 L65 Q87 L88 K89 Y95F45-Y91 WeakPolarHBondContact CD1-OH 3.04Å; F45-Y91 WeakPolarHBondContact CE1-OH 2.95Å; L58-Y91 HydrophobicContact CD2-CD1 4.45Å; L58-Y91 HydrophobicContact CD2-CE1 4.04Å; L65-Y91 HydrophobicContact CD1-CD2 3.77Å; L65-Y91 HydrophobicContact CD1-CE2 3.3Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.03Å; Q87-Y91 PolarHBondContact O-N 3.38Å; L88-Y91 PolarHBondContact O-N 3.02Å; L88-Y91 VanDerWaalsContact O-N 3.15Å; K89-Y91 VanDerWaalsContact C-N 3.26Å; K89-Y91 PolarHBondContact O-N 3.04Å; Y91-Y95 HydrophobicContact CD1-CD2 4.15Å; Y91-Y95 AromaticContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE2 4.41Å
92Y68.3Low65.2Low19 Ų1966.8 Ų66.88%0.07535%0.348CS..Hα-helixtrans-77.2-23.5178.7-66.5-47.7000113.9R62 E66 L88 K89 C90 K96 M105R62-Y92 HydrophobicContact CG-CE1 4.48Å; E66-Y92 PolarHBondContact OE1-OH 3.15Å; E66-Y92 VanDerWaalsContact OE1-OH 3.06Å; L88-Y92 HydrophobicContact CB-CD2 4.33Å; L88-Y92 HydrophobicContact CB-CE2 3.91Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; L88-Y92 PolarHBondContact O-N 3.29Å; K89-Y92 PolarHBondContact O-N 3.14Å; C90-Y92 PolarHBondContact O-N 3.26Å; Y92-K96 WeakPolarHBondContact O-CG 3.18Å; Y92-M105 HydrophobicContact CD1-CG 3.78Å; Y92-M105 HydrophobicContact CD1-SD 3.68Å; Y92-M105 HydrophobicContact CE1-CB 3.99Å; Y92-M105 HydrophobicContact CE1-CG 3.47Å; Y92-M105 VanDerWaalsContact CE1-CG 3.47Å; Y92-M105 HydrophobicContact CE1-SD 3.91Å; Y92-M105 HydrophobicContact CE2-CG 4.39Å; Y92-M105 HydrophobicContact CG-CG 4.37Å; Y92-M105 HydrophobicContact CG-SD 4.38Å
93F63.3Low64Low58 Ų5866.7 Ų66.725%0.25436%0.362SS..Hα-helixtrans-94.5-41.6178.9-66.9-68000112.9K89 C90 Y95 R131K89-F93 HydrophobicContact CB-CD2 4.34Å; K89-F93 HydrophobicContact CB-CE2 4.14Å; K89-F93 HydrophobicContact CG-CE2 4.41Å; K89-F93 WeakPolarHBondContact O-CD2 3.49Å; K89-F93 PolarHBondContact O-N 3.41Å; C90-F93 PolarHBondContact O-N 2.83Å; F93-Y95 VanDerWaalsContact C-N 3.32Å; F93-Y95 PolarHBondContact O-N 3.48Å; F93-R131 HydrophobicContact CD1-CG 4.19Å; F93-R131 VanDerWaalsContact CE1-CD 3.4Å; F93-R131 HydrophobicContact CE1-CG 3.41Å; F93-R131 VanDerWaalsContact CE1-CG 3.41Å; F93-R131 HydrophobicContact CZ-CG 3.86Å
94D62.3Low63Low105 Ų10564.7 Ų64.756%0.56136%0.355SS*.Hα-helixtrans-76.1-21.8-174.4-61.7-25.6000112.6C90C90-D94 WeakPolarHBondContact O-CB 3.45Å; C90-D94 VanDerWaalsContact O-CG 3.28Å; C90-D94 PolarHBondContact O-N 3.29Å
95Y56Low62.4Low38 Ų3866 Ų6615%0.14936%0.362CS..THydrogen-bonded Turntrans-118.721.6-175.2-60.9-81.6000114.8L58 Y91 F93 D97 E98 L99L58-Y95 HydrophobicContact CD1-CD1 4.07Å; L58-Y95 HydrophobicContact CD1-CE1 3.37Å; L58-Y95 HydrophobicContact CD1-CE2 4.46Å; L58-Y95 HydrophobicContact CD2-CE1 4.38Å; L58-Y95 HydrophobicContact CD2-CE2 4.05Å; L58-Y95 WeakPolarHBondContact CD2-OH 3.36Å; L58-Y95 HydrophobicContact CG-CE1 4.47Å; Y91-Y95 HydrophobicContact CD1-CD2 4.15Å; Y91-Y95 AromaticContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CD1-CE2 3.9Å; Y91-Y95 HydrophobicContact CE1-CE2 4.41Å; F93-Y95 VanDerWaalsContact C-N 3.32Å; F93-Y95 PolarHBondContact O-N 3.48Å; Y95-D97 PolarHBondContact O-N 3.15Å; Y95-D97 VanDerWaalsContact O-N 3.14Å; Y95-E98 PolarHBondContact O-N 3.44Å; Y95-L99 VanDerWaalsContact CB-CD1 3.41Å; Y95-L99 HydrophobicContact CG-CD1 4.2Å; Y95-L99 PolarHBondContact O-N 3.29Å
96K54.2Low62.1Low124 Ų12467.2 Ų67.254%0.53937%0.368SS..THydrogen-bonded Turntrans-54.6-31.1177.4-77.4-167.8170.7177.70113.4Y92Y92-K96 WeakPolarHBondContact O-CG 3.18Å
97D51.8Low61.9Low169 Ų16966.3 Ų66.390%0.90435%0.354SS*.THydrogen-bonded Turntrans-86.1-15.2-175.9-68.6-53.4000114.4Y95Y95-D97 PolarHBondContact O-N 3.15Å; Y95-D97 VanDerWaalsContact O-N 3.14Å
98E45Very low61.8Low102 Ų10262.4 Ų62.448%0.47734%0.336SS..THydrogen-bonded Turntrans-113.5-9.7-173.8-71.4-137.7132.200115.4K55 Y95K55-E98 VanDerWaalsContact CE-CD 3.47Å; K55-E98 WeakPolarHBondContact CE-OE1 3.39Å; K55-E98 WeakPolarHBondContact CE-OE2 3.4Å; K55-E98 IonicContact NZ-OE1 2.73Å; K55-E98 PolarHBondContact NZ-OE1 3.47Å; K55-E98 IonicContact NZ-OE2 3.26Å; K55-E98 PolarHBondContact NZ-OE2 2.98Å; Y95-E98 PolarHBondContact O-N 3.44Å
99L49Very low61.8Low36 Ų3663.3 Ų63.319%0.18834%0.341CS..SBendtrans-118.2134.4-172.2-76.5157.5000112.5I59 Y95 A101I59-L99 HydrophobicContact CD1-CD2 3.92Å; I59-L99 HydrophobicContact CG1-CD2 3.24Å; Y95-L99 VanDerWaalsContact CB-CD1 3.41Å; Y95-L99 HydrophobicContact CG-CD1 4.2Å; Y95-L99 PolarHBondContact O-N 3.29Å; L99-A101 PolarHBondContact O-N 3.46Å
100P47.5Very low62.1Low101 Ų10161.5 Ų61.566%0.65633%0.333SS*.  trans-63.8135.6165.426.2-31000109.7A102P100-A102 PolarHBondContact O-N 3.09Å; P100-A102 VanDerWaalsContact O-N 3.07Å
101A51.5Low62.5Low75 Ų7558.1 Ų58.162%0.6231%0.311SS*.  trans-58.8112.8178.200000109.8L99L99-A101 PolarHBondContact O-N 3.46Å
102A52.7Low63.2Low18 Ų1857 Ų5715%0.14931%0.306CS..  trans-69.3138.8177.400000110P100 Y104 M105P100-A102 PolarHBondContact O-N 3.09Å; P100-A102 VanDerWaalsContact O-N 3.07Å; A102-Y104 PolarHBondContact O-N 3.08Å; A102-M105 HydrophobicContact CB-CB 4.4Å; A102-M105 VanDerWaalsContact O-CB 3.22Å; A102-M105 WeakPolarHBondContact O-CB 3.34Å; A102-M105 PolarHBondContact O-N 3.27Å
103A55.8Low63.8Low83 Ų8356.1 Ų56.169%0.68630%0.303SS*.Hα-helixtrans-57.4-31.6175.700000112.3
104Y62.2Low64.6Low142 Ų14253.5 Ų53.556%0.55729%0.292SS*.Hα-helixtrans-78.1-18.7177.9-68.3-69.8000114.6A102 H106 Q107 L108A102-Y104 PolarHBondContact O-N 3.08Å; Y104-H106 VanDerWaalsContact C-N 3.27Å; Y104-H106 PolarHBondContact O-N 2.83Å; Y104-Q107 PolarHBondContact O-N 3.43Å; Y104-Q107 VanDerWaalsContact O-N 3.15Å; Y104-L108 PolarHBondContact O-N 2.94Å
105M67.3Low65.6Low40 Ų4048.8 Ų48.820%0.19727%0.266CS..Hα-helixtrans-55.2-47178.3-179.6178.893.500110.8Y92 A102 L108 L109Y92-M105 HydrophobicContact CD1-CG 3.78Å; Y92-M105 HydrophobicContact CD1-SD 3.68Å; Y92-M105 HydrophobicContact CE1-CB 3.99Å; Y92-M105 HydrophobicContact CE1-CG 3.47Å; Y92-M105 VanDerWaalsContact CE1-CG 3.47Å; Y92-M105 HydrophobicContact CE1-SD 3.91Å; Y92-M105 HydrophobicContact CE2-CG 4.39Å; Y92-M105 HydrophobicContact CG-CG 4.37Å; Y92-M105 HydrophobicContact CG-SD 4.38Å; A102-M105 HydrophobicContact CB-CB 4.4Å; A102-M105 VanDerWaalsContact O-CB 3.22Å; A102-M105 WeakPolarHBondContact O-CB 3.34Å; A102-M105 PolarHBondContact O-N 3.27Å; M105-L108 PolarHBondContact O-N 3.32Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 PolarHBondContact O-N 3.48Å
106H71.1Confident66.9Low27 Ų2747.1 Ų47.113%0.12526%0.26CS..Hα-helixtrans-70.1-35-178.7-54.492.7000112.7Y104 G110 N140 I143Y104-H106 VanDerWaalsContact C-N 3.27Å; Y104-H106 PolarHBondContact O-N 2.83Å; H106-G110 PolarHBondContact O-N 3.36Å; H106-N140 WeakPolarHBondContact CB-ND2 3.28Å; H106-I143 HydrophobicContact CB-CD1 4Å; H106-I143 HydrophobicContact CB-CG1 4.39Å
107Q74Confident68.2Low33 Ų3341.5 Ų41.515%0.15424%0.236CC..Hα-helixtrans-65.5-44.4176.1-175.3-178.6-8.500110.6Y104 L111 Y173Y104-Q107 PolarHBondContact O-N 3.43Å; Y104-Q107 VanDerWaalsContact O-N 3.15Å; Q107-L111 WeakPolarHBondContact O-CB 3.29Å; Q107-L111 PolarHBondContact O-N 3.41Å; Q107-Y173 WeakPolarHBondContact CA-OH 3.48Å; Q107-Y173 PolarHBondContact O-OH 3.28Å
108L76.3Confident69.5Low4 Ų434.2 Ų34.22%0.02120%0.198CC..Hα-helixtrans-69.7-36.7179.5-142.293.4000112E66 A69 L70 M85 L88 Y104 M105 L111 N112E66-L108 HydrophobicContact CG-CD2 4.5Å; A69-L108 HydrophobicContact CB-CD1 4.36Å; A69-L108 HydrophobicContact CB-CD2 4.2Å; L70-L108 HydrophobicContact CD2-CD1 3.93Å; L70-L108 HydrophobicContact CG-CD1 3.95Å; M85-L108 HydrophobicContact SD-CD2 4.25Å; L88-L108 HydrophobicContact CD1-CD2 3.35Å; Y104-L108 PolarHBondContact O-N 2.94Å; M105-L108 PolarHBondContact O-N 3.32Å; L108-L111 VanDerWaalsContact O-CB 3.32Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.03Å; L108-N112 PolarHBondContact O-N 3.15Å
109L76.3Confident71.3Confident19 Ų1932.1 Ų32.110%0.09919%0.188CC..Hα-helixtrans-67.3-44.5175.4-169.359.2000111.5M85 M105 L111 N112 L113 L132 I143M85-L109 HydrophobicContact CE-CD1 4.2Å; M105-L109 WeakPolarHBondContact O-CB 3.46Å; M105-L109 PolarHBondContact O-N 3.48Å; L109-L111 PolarHBondContact O-N 3.06Å; L109-N112 WeakPolarHBondContact O-CB 3.2Å; L109-N112 PolarHBondContact O-N 2.7Å; L109-N112 VanDerWaalsContact O-N 3.17Å; L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.05Å; L109-L132 HydrophobicContact CD1-CD1 4.27Å; L109-L132 HydrophobicContact CD2-CD1 3.83Å; L109-L132 HydrophobicContact CD2-CD2 3.41Å; L109-L132 VanDerWaalsContact CD2-CD2 3.41Å; L109-L132 HydrophobicContact CD2-CG 3.67Å; L109-L132 HydrophobicContact CG-CD1 4.24Å; L109-L132 HydrophobicContact CG-CD2 4.07Å; L109-I143 HydrophobicContact CD2-CD1 4.5Å
110G78.4Confident72.7Confident0 Ų035.4 Ų35.40%021%0.206CC..Hα-helixtrans-59.1-34.4170.500000112.3H106 L113 L114H106-G110 PolarHBondContact O-N 3.36Å; G110-L113 PolarHBondContact O-N 3.35Å; G110-L114 PolarHBondContact O-N 3.42Å
111L80.8Confident74.4Confident0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-68.7-41.6175.1-155.5140.4000112.4I73 F81 Q107 L108 L109 L113 L114 F115 Y173 F176I73-L111 HydrophobicContact CD1-CD1 3.54Å; I73-L111 HydrophobicContact CD1-CD2 3.27Å; I73-L111 HydrophobicContact CD1-CG 4.02Å; I73-L111 HydrophobicContact CG1-CD2 3.92Å; F81-L111 HydrophobicContact CE1-CD2 4.06Å; F81-L111 HydrophobicContact CE2-CD2 3.63Å; F81-L111 HydrophobicContact CZ-CD2 3.3Å; Q107-L111 WeakPolarHBondContact O-CB 3.29Å; Q107-L111 PolarHBondContact O-N 3.41Å; L108-L111 VanDerWaalsContact O-CB 3.32Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 3.03Å; L109-L111 PolarHBondContact O-N 3.06Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.32Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-F115 WeakPolarHBondContact O-CB 3.37Å; L111-F115 PolarHBondContact O-N 3.22Å; L111-Y173 HydrophobicContact CB-CD1 4.33Å; L111-Y173 HydrophobicContact CB-CE1 3.73Å; L111-Y173 HydrophobicContact CD1-CD1 3.85Å; L111-Y173 HydrophobicContact CD1-CE1 3.81Å; L111-Y173 HydrophobicContact CG-CD1 4.06Å; L111-Y173 HydrophobicContact CG-CE1 3.95Å; L111-F176 HydrophobicContact CD1-CE2 4.45Å; L111-F176 HydrophobicContact CD2-CD2 4.06Å; L111-F176 HydrophobicContact CD2-CE2 3.45Å; L111-F176 VanDerWaalsContact CD2-CE2 3.45Å; L111-F176 HydrophobicContact CD2-CZ 4.05Å; L111-F176 HydrophobicContact CG-CD2 4.21Å; L111-F176 HydrophobicContact CG-CE2 4.02Å
112N82.9Confident75.8Confident4 Ų433.8 Ų33.82%0.02118%0.175CC..Hα-helixtrans-62.5-39172.7175.761.4000111.9M85 L108 L109 F115 L116M85-N112 HydrophobicContact CE-CB 3.38Å; M85-N112 HydrophobicContact CG-CB 4.04Å; M85-N112 WeakPolarHBondContact CG-OD1 3.41Å; M85-N112 HydrophobicContact SD-CB 3.78Å; L108-N112 PolarHBondContact O-N 3.15Å; L109-N112 WeakPolarHBondContact O-CB 3.2Å; L109-N112 PolarHBondContact O-N 2.7Å; L109-N112 VanDerWaalsContact O-N 3.17Å; N112-F115 WeakPolarHBondContact O-CB 3.45Å; N112-F115 PolarHBondContact O-N 3.1Å; N112-L116 WeakPolarHBondContact O-CG 3.43Å; N112-L116 PolarHBondContact O-N 3.48Å
113L81.4Confident77.3Confident1 Ų137.5 Ų37.51%0.00520%0.201CC..Hα-helixtrans-61.2-45.1174.2-71.7177.5000111.4L109 G110 L111 F115 L116 L117 F125 E128 I143 P146L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.05Å; G110-L113 PolarHBondContact O-N 3.35Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.32Å; L113-F115 VanDerWaalsContact C-N 3.31Å; L113-F115 PolarHBondContact O-N 3.21Å; L113-L116 PolarHBondContact O-N 3.47Å; L113-L117 WeakPolarHBondContact O-CG 3Å; L113-L117 PolarHBondContact O-N 3.23Å; L113-L117 VanDerWaalsContact O-N 3.14Å; L113-F125 HydrophobicContact CB-CD2 4.12Å; L113-F125 HydrophobicContact CB-CE2 3.73Å; L113-F125 HydrophobicContact CD2-CD2 3.7Å; L113-F125 HydrophobicContact CD2-CE2 3.77Å; L113-F125 HydrophobicContact CD2-CG 4.39Å; L113-F125 HydrophobicContact CD2-CZ 4.45Å; L113-F125 HydrophobicContact CG-CD2 4.48Å; L113-F125 HydrophobicContact CG-CE2 4.2Å; L113-E128 HydrophobicContact CD2-CB 4.34Å; L113-I143 HydrophobicContact CD1-CG2 4.1Å; L113-P146 HydrophobicContact CB-CB 4.02Å
114L81.1Confident78.5Confident3 Ų337.4 Ų37.42%0.01619%0.186CC..Hα-helixtrans-63-37173.8-72.6171.8000112.9G110 L111 L117 S118 P146 L149 Y173 F176 I177G110-L114 PolarHBondContact O-N 3.42Å; L111-L114 PolarHBondContact O-N 2.95Å; L114-L117 HydrophobicContact CD2-CD1 4.48Å; L114-L117 PolarHBondContact O-N 3.32Å; L114-S118 PolarHBondContact O-N 2.9Å; L114-P146 HydrophobicContact CD1-CG 4.35Å; L114-P146 HydrophobicContact CD2-CB 4.09Å; L114-P146 HydrophobicContact CD2-CG 4.13Å; L114-P146 HydrophobicContact CG-CB 4.17Å; L114-P146 HydrophobicContact CG-CG 3.86Å; L114-L149 HydrophobicContact CD2-CD2 3.75Å; L114-Y173 HydrophobicContact CD1-CD1 3.52Å; L114-Y173 HydrophobicContact CD1-CD2 4.23Å; L114-Y173 HydrophobicContact CD1-CE1 4.08Å; L114-Y173 HydrophobicContact CD1-CG 3.62Å; L114-F176 HydrophobicContact CB-CB 4.29Å; L114-I177 HydrophobicContact CD2-CD1 3.81Å
115F82.9Confident79.6Confident5 Ų530.6 Ų30.62%0.02216%0.159CC..Hα-helixtrans-61.1-46.7175.7173.9-108.1000111.7I78 F81 E82 L111 N112 L113 L117 S118 Q119 F176I78-F115 HydrophobicContact CB-CE2 4.38Å; I78-F115 HydrophobicContact CG2-CE2 3.52Å; I78-F115 HydrophobicContact CG2-CZ 3.79Å; F81-F115 HydrophobicContact CD1-CD1 4.34Å; F81-F115 AromaticContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CD2 3.98Å; F81-F115 HydrophobicContact CD1-CE1 4.41Å; F81-F115 HydrophobicContact CD1-CE2 4.04Å; F81-F115 HydrophobicContact CD1-CG 4.08Å; F81-F115 HydrophobicContact CD1-CZ 4.2Å; F81-F115 HydrophobicContact CE1-CB 3.92Å; F81-F115 HydrophobicContact CE1-CD1 4.08Å; F81-F115 HydrophobicContact CE1-CD2 4.1Å; F81-F115 AromaticContact CE1-CG 3.78Å; F81-F115 HydrophobicContact CE1-CG 3.78Å; E82-F115 HydrophobicContact CB-CE1 4.37Å; E82-F115 HydrophobicContact CB-CZ 4.24Å; L111-F115 WeakPolarHBondContact O-CB 3.37Å; L111-F115 PolarHBondContact O-N 3.22Å; N112-F115 WeakPolarHBondContact O-CB 3.45Å; N112-F115 PolarHBondContact O-N 3.1Å; L113-F115 VanDerWaalsContact C-N 3.31Å; L113-F115 PolarHBondContact O-N 3.21Å; F115-L117 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.23Å; F115-S118 PolarHBondContact O-N 3.37Å; F115-S118 VanDerWaalsContact O-N 3.15Å; F115-S118 PolarHBondContact O-OG 2.92Å; F115-Q119 VanDerWaalsContact CE2-NE2 3.29Å; F115-Q119 PolarHBondContact O-N 3.46Å; F115-Q119 VanDerWaalsContact O-N 3.14Å; F115-F176 HydrophobicContact CB-CE1 4.39Å; F115-F176 HydrophobicContact CD2-CD1 4.25Å; F115-F176 AromaticContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CZ 4.38Å; F115-F176 HydrophobicContact CE2-CE1 4.44Å
116L81.8Confident80.4Confident4 Ų432.5 Ų32.52%0.02117%0.167CC..Hα-helixtrans-61.4-40177.3-67.4172000112N112 L113 Q119 N120 R121 E124 F125 E128N112-L116 WeakPolarHBondContact O-CG 3.43Å; N112-L116 PolarHBondContact O-N 3.48Å; L113-L116 PolarHBondContact O-N 3.47Å; L116-Q119 PolarHBondContact O-N 2.82Å; L116-N120 PolarHBondContact O-N 2.9Å; L116-R121 PolarHBondContact O-N 3.28Å; L116-E124 HydrophobicContact CD1-CB 4.4Å; L116-E124 HydrophobicContact CD2-CB 4.02Å; L116-E124 WeakPolarHBondContact CD2-OE2 3.35Å; L116-F125 HydrophobicContact CB-CB 4.28Å; L116-E128 HydrophobicContact CD1-CB 4.49Å; L116-E128 HydrophobicContact CD1-CG 4.12Å
117L82Confident81Confident6 Ų635.6 Ų35.63%0.03119%0.188CC..Hα-helixtrans-63.1-42.5173.7-67.3173.4000112L113 L114 F115 Q119 N120 F125 E150 L180L113-L117 WeakPolarHBondContact O-CG 3Å; L113-L117 PolarHBondContact O-N 3.23Å; L113-L117 VanDerWaalsContact O-N 3.14Å; L114-L117 HydrophobicContact CD2-CD1 4.48Å; L114-L117 PolarHBondContact O-N 3.32Å; F115-L117 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.23Å; L117-Q119 PolarHBondContact O-N 3.29Å; L117-N120 PolarHBondContact O-N 3.28Å; L117-F125 HydrophobicContact CD1-CD2 4.3Å; L117-F125 HydrophobicContact CD1-CE2 3.79Å; L117-F125 HydrophobicContact CD1-CZ 4.43Å; L117-F125 HydrophobicContact CD2-CD2 3.9Å; L117-F125 HydrophobicContact CD2-CE2 4.04Å; L117-F125 HydrophobicContact CD2-CG 4.23Å; L117-F125 HydrophobicContact CG-CD2 3.8Å; L117-F125 HydrophobicContact CG-CE2 3.81Å; L117-E150 HydrophobicContact CD1-CB 4.05Å; L117-E150 HydrophobicContact CD2-CB 3.92Å; L117-E150 HydrophobicContact CD2-CG 3.52Å; L117-L180 HydrophobicContact CB-CD1 4.24Å; L117-L180 WeakPolarHBondContact O-CD1 3.43Å
118S79.9Confident81.2Confident16 Ų1635.1 Ų35.111%0.11219%0.186CC..Hα-helixtrans-64.5-25.2178.574.20000113.5L114 F115 N120L114-S118 PolarHBondContact O-N 2.9Å; F115-S118 PolarHBondContact O-N 3.37Å; F115-S118 VanDerWaalsContact O-N 3.15Å; F115-S118 PolarHBondContact O-OG 2.92Å; S118-N120 VanDerWaalsContact C-N 3.34Å
119Q82.1Confident81.4Confident57 Ų5737 Ų3727%0.26620%0.196SC..THydrogen-bonded Turntrans-89.74174.6-65.2-160.310.300113.9F115 L116 L117 R121F115-Q119 VanDerWaalsContact CE2-NE2 3.29Å; F115-Q119 PolarHBondContact O-N 3.46Å; F115-Q119 VanDerWaalsContact O-N 3.14Å; L116-Q119 PolarHBondContact O-N 2.82Å; L117-Q119 PolarHBondContact O-N 3.29Å; Q119-R121 HydrophobicContact CB-CG 4.03Å; Q119-R121 PolarHBondContact O-N 3.3Å
120N79.5Confident81.6Confident106 Ų10644 Ų4457%0.56723%0.228SC*.THydrogen-bonded Turntrans57.427.9-174.1-158.319000113.6L116 L117 S118 V122L116-N120 PolarHBondContact O-N 2.9Å; L117-N120 PolarHBondContact O-N 3.28Å; S118-N120 VanDerWaalsContact C-N 3.34Å; N120-V122 PolarHBondContact O-N 3.49Å
121R82.6Confident81.4Confident97 Ų9748.5 Ų48.537%0.36625%0.245SC..  trans-9667.6177.8-62.4-164.5-166.9177.79.9111L116 Q119 S123 E124 F125L116-R121 PolarHBondContact O-N 3.28Å; Q119-R121 HydrophobicContact CB-CG 4.03Å; Q119-R121 PolarHBondContact O-N 3.3Å; R121-S123 VanDerWaalsContact C-N 3.29Å; R121-S123 PolarHBondContact O-N 3.14Å; R121-E124 HydrophobicContact CB-CB 4.33Å; R121-E124 HydrophobicContact CB-CG 4.46Å; R121-E124 VanDerWaalsContact CD-OE1 3.26Å; R121-E124 WeakPolarHBondContact CD-OE1 3.22Å; R121-E124 IonicContact CZ-OE1 3.59Å; R121-E124 IonicContact NE-OE1 2.72Å; R121-E124 IonicContact NH1-OE1 3.91Å; R121-E124 PolarHBondContact NH1-OE1 3.45Å; R121-E124 IonicContact NH1-OE2 2.68Å; R121-E124 PolarHBondContact O-N 3.18Å; R121-F125 PolarHBondContact O-N 3Å
122V80.7Confident80.9Confident44 Ų4449.6 Ų49.627%0.26725%0.251SS..Hα-helixtrans-64.4-33.3-176.7-176.70000112.2N120 F125 H126N120-V122 PolarHBondContact O-N 3.49Å; V122-F125 VanDerWaalsContact O-CB 3.32Å; V122-F125 WeakPolarHBondContact O-CB 3.2Å; V122-F125 PolarHBondContact O-N 3.37Å; V122-H126 WeakPolarHBondContact CG1-NE2 3.2Å; V122-H126 PolarHBondContact O-CD2 2.89Å; V122-H126 VanDerWaalsContact O-CD2 3.3Å; V122-H126 PolarHBondContact O-N 3.38Å
123S83.4Confident80Confident97 Ų9752.2 Ų52.268%0.67827%0.269SS*.Hα-helixtrans-63.9-45177.8-48.30000112.6R121 F125 H126 T127R121-S123 VanDerWaalsContact C-N 3.29Å; R121-S123 PolarHBondContact O-N 3.14Å; S123-F125 VanDerWaalsContact C-N 3.25Å; S123-F125 PolarHBondContact O-N 3.07Å; S123-H126 PolarHBondContact O-N 2.93Å; S123-T127 PolarHBondContact O-N 2.88Å; S123-T127 VanDerWaalsContact O-N 3.13Å; S123-T127 PolarHBondContact O-OG1 3.29Å; S123-T127 VanDerWaalsContact O-OG1 3.1Å
124E82.8Confident79.1Confident80 Ų8055.2 Ų55.237%0.37430%0.295SS..Hα-helixtrans-65.8-32.6176.4-68.7-179.4-160.500111.4L116 R121 E128L116-E124 HydrophobicContact CD1-CB 4.4Å; L116-E124 HydrophobicContact CD2-CB 4.02Å; L116-E124 WeakPolarHBondContact CD2-OE2 3.35Å; R121-E124 HydrophobicContact CB-CB 4.33Å; R121-E124 HydrophobicContact CB-CG 4.46Å; R121-E124 VanDerWaalsContact CD-OE1 3.26Å; R121-E124 WeakPolarHBondContact CD-OE1 3.22Å; R121-E124 IonicContact CZ-OE1 3.59Å; R121-E124 IonicContact NE-OE1 2.72Å; R121-E124 IonicContact NH1-OE1 3.91Å; R121-E124 PolarHBondContact NH1-OE1 3.45Å; R121-E124 IonicContact NH1-OE2 2.68Å; R121-E124 PolarHBondContact O-N 3.18Å; E124-E128 WeakPolarHBondContact O-CB 3.42Å; E124-E128 WeakPolarHBondContact O-CG 3.3Å; E124-E128 PolarHBondContact O-N 3.02Å
125F85.1Confident78.2Confident0 Ų064.5 Ų64.50%033%0.329CS..Hα-helixtrans-61.5-48.6174.5177.1-85.2000111.7L113 L116 L117 R121 V122 S123 E128 L129 V147 E150L113-F125 HydrophobicContact CB-CD2 4.12Å; L113-F125 HydrophobicContact CB-CE2 3.73Å; L113-F125 HydrophobicContact CD2-CD2 3.7Å; L113-F125 HydrophobicContact CD2-CE2 3.77Å; L113-F125 HydrophobicContact CD2-CG 4.39Å; L113-F125 HydrophobicContact CD2-CZ 4.45Å; L113-F125 HydrophobicContact CG-CD2 4.48Å; L113-F125 HydrophobicContact CG-CE2 4.2Å; L116-F125 HydrophobicContact CB-CB 4.28Å; L117-F125 HydrophobicContact CD1-CD2 4.3Å; L117-F125 HydrophobicContact CD1-CE2 3.79Å; L117-F125 HydrophobicContact CD1-CZ 4.43Å; L117-F125 HydrophobicContact CD2-CD2 3.9Å; L117-F125 HydrophobicContact CD2-CE2 4.04Å; L117-F125 HydrophobicContact CD2-CG 4.23Å; L117-F125 HydrophobicContact CG-CD2 3.8Å; L117-F125 HydrophobicContact CG-CE2 3.81Å; R121-F125 PolarHBondContact O-N 3Å; V122-F125 VanDerWaalsContact O-CB 3.32Å; V122-F125 WeakPolarHBondContact O-CB 3.2Å; V122-F125 PolarHBondContact O-N 3.37Å; S123-F125 VanDerWaalsContact C-N 3.25Å; S123-F125 PolarHBondContact O-N 3.07Å; F125-E128 PolarHBondContact O-N 3.33Å; F125-L129 HydrophobicContact CE1-CD1 3.73Å; F125-L129 HydrophobicContact CZ-CD1 4.21Å; F125-L129 WeakPolarHBondContact O-CB 2.93Å; F125-L129 PolarHBondContact O-N 3.49Å; F125-V147 HydrophobicContact CZ-CG2 4.45Å; F125-E150 HydrophobicContact CD1-CG 4.07Å; F125-E150 HydrophobicContact CE1-CB 4.01Å; F125-E150 HydrophobicContact CE1-CG 3.63Å; F125-E150 HydrophobicContact CZ-CB 3.83Å; F125-E150 HydrophobicContact CZ-CG 3.92Å
126H83.1Confident77.4Confident79 Ų7967.4 Ų67.437%0.36635%0.345SS..Hα-helixtrans-66.7-38.9178.7-68.2-52.8000112.8V122 S123 E128 L129 E130 E150V122-H126 WeakPolarHBondContact CG1-NE2 3.2Å; V122-H126 PolarHBondContact O-CD2 2.89Å; V122-H126 VanDerWaalsContact O-CD2 3.3Å; V122-H126 PolarHBondContact O-N 3.38Å; S123-H126 PolarHBondContact O-N 2.93Å; H126-E128 VanDerWaalsContact C-N 3.34Å; H126-E128 PolarHBondContact O-N 2.93Å; H126-L129 PolarHBondContact O-N 3.17Å; H126-E130 PolarHBondContact O-N 3.34Å; H126-E150 IonicContact CE1-OE1 3.63Å; H126-E150 IonicContact CE1-OE2 3.96Å; H126-E150 IonicContact NE2-OE1 2.7Å
127T84.9Confident76.6Confident93 Ų9368.6 Ų68.657%0.57135%0.351SS*.Hα-helixtrans-61.6-42174.7-56.70000111.7S123 R131S123-T127 PolarHBondContact O-N 2.88Å; S123-T127 VanDerWaalsContact O-N 3.13Å; S123-T127 PolarHBondContact O-OG1 3.29Å; S123-T127 VanDerWaalsContact O-OG1 3.1Å; T127-R131 PolarHBondContact O-N 3.32Å
128E76.9Confident75.6Confident23 Ų2375.8 Ų75.811%0.10739%0.385CS..Hα-helixtrans-68.4-37.6175-73.2-69.617200111.5K89 L113 L116 E124 F125 H126 E130 R131 L132K89-E128 VanDerWaalsContact CE-OE1 3.27Å; K89-E128 WeakPolarHBondContact CE-OE1 3.46Å; K89-E128 IonicContact NZ-OE1 3.41Å; K89-E128 PolarHBondContact NZ-OE1 3.37Å; L113-E128 HydrophobicContact CD2-CB 4.34Å; L116-E128 HydrophobicContact CD1-CB 4.49Å; L116-E128 HydrophobicContact CD1-CG 4.12Å; E124-E128 WeakPolarHBondContact O-CB 3.42Å; E124-E128 WeakPolarHBondContact O-CG 3.3Å; E124-E128 PolarHBondContact O-N 3.02Å; F125-E128 PolarHBondContact O-N 3.33Å; H126-E128 VanDerWaalsContact C-N 3.34Å; H126-E128 PolarHBondContact O-N 2.93Å; E128-E130 PolarHBondContact O-N 3.4Å; E128-R131 VanDerWaalsContact CD-NH2 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.19Å; E128-R131 PolarHBondContact O-N 3.29Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE1-CZ 3.96Å; E128-R131 IonicContact OE1-NH2 3.89Å; E128-R131 PolarHBondContact OE1-NH2 3.42Å; E128-R131 IonicContact OE2-CZ 3.73Å; E128-R131 IonicContact OE2-NE 2.75Å; E128-R131 PolarHBondContact OE2-NE 3.12Å; E128-R131 IonicContact OE2-NH2 2.73Å; E128-R131 PolarHBondContact OE2-NH2 2.84Å; E128-L132 WeakPolarHBondContact O-CD1 3.22Å; E128-L132 PolarHBondContact O-N 3.45Å
129L79.8Confident75.1Confident43 Ų4380.6 Ų80.623%0.22541%0.414CS..Hα-helixtrans-63.4-40.2177.8-166.2152.6000111.9F125 H126 R131 L132 I137 V147F125-L129 HydrophobicContact CE1-CD1 3.73Å; F125-L129 HydrophobicContact CZ-CD1 4.21Å; F125-L129 WeakPolarHBondContact O-CB 2.93Å; F125-L129 PolarHBondContact O-N 3.49Å; H126-L129 PolarHBondContact O-N 3.17Å; L129-R131 PolarHBondContact O-N 3.13Å; L129-L132 PolarHBondContact O-N 3.18Å; L129-L132 VanDerWaalsContact O-N 3.14Å; L129-I137 HydrophobicContact CD2-CD1 3.97Å; L129-I137 HydrophobicContact CG-CD1 4.25Å; L129-V147 HydrophobicContact CD1-CG1 4.41Å; L129-V147 HydrophobicContact CD1-CG2 3.79Å
130E81.3Confident74.4Confident167 Ų16779.4 Ų79.478%0.7841%0.409SS*.Hα-helixtrans-61.1-30.7174.2-174.7175.5-173.600112.1H126 E128 L132H126-E130 PolarHBondContact O-N 3.34Å; E128-E130 PolarHBondContact O-N 3.4Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.49Å
131R73.9Confident74.1Confident94 Ų9480 Ų8036%0.35541%0.411SS..Hα-helixtrans-74.9-16.5179.4-163.4164.766.5159.3-0.3113.5F93 T127 E128 L129F93-R131 HydrophobicContact CD1-CG 4.19Å; F93-R131 VanDerWaalsContact CE1-CD 3.4Å; F93-R131 HydrophobicContact CE1-CG 3.41Å; F93-R131 VanDerWaalsContact CE1-CG 3.41Å; F93-R131 HydrophobicContact CZ-CG 3.86Å; T127-R131 PolarHBondContact O-N 3.32Å; E128-R131 VanDerWaalsContact CD-NH2 3.29Å; E128-R131 WeakPolarHBondContact O-CB 3.19Å; E128-R131 PolarHBondContact O-N 3.29Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-R131 IonicContact OE1-CZ 3.96Å; E128-R131 IonicContact OE1-NH2 3.89Å; E128-R131 PolarHBondContact OE1-NH2 3.42Å; E128-R131 IonicContact OE2-CZ 3.73Å; E128-R131 IonicContact OE2-NE 2.75Å; E128-R131 PolarHBondContact OE2-NE 3.12Å; E128-R131 IonicContact OE2-NH2 2.73Å; E128-R131 PolarHBondContact OE2-NH2 2.84Å; L129-R131 PolarHBondContact O-N 3.13Å
132L71Confident73.5Confident23 Ų2379.3 Ų79.312%0.1241%0.409CS..SBendtrans-87.7144.2174.3-80.477.1000111.3L109 E128 L129 E130 A134 I137 I143L109-L132 HydrophobicContact CD1-CD1 4.27Å; L109-L132 HydrophobicContact CD2-CD1 3.83Å; L109-L132 HydrophobicContact CD2-CD2 3.41Å; L109-L132 VanDerWaalsContact CD2-CD2 3.41Å; L109-L132 HydrophobicContact CD2-CG 3.67Å; L109-L132 HydrophobicContact CG-CD1 4.24Å; L109-L132 HydrophobicContact CG-CD2 4.07Å; E128-L132 WeakPolarHBondContact O-CD1 3.22Å; E128-L132 PolarHBondContact O-N 3.45Å; L129-L132 PolarHBondContact O-N 3.18Å; L129-L132 VanDerWaalsContact O-N 3.14Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.49Å; L132-A134 PolarHBondContact O-N 2.86Å; L132-I137 HydrophobicContact CB-CD1 4.29Å; L132-I137 HydrophobicContact CB-CG1 4.26Å; L132-I137 HydrophobicContact CD2-CG1 4.48Å; L132-I143 HydrophobicContact CD2-CD1 3.94Å; L132-I143 HydrophobicContact CD2-CG2 4.14Å
133S64.3Low73.2Confident58 Ų5877.2 Ų77.241%0.40640%0.396SS..  trans-68.3132.2171.7165.80000110.7R135 D136 I137S133-R135 PolarHBondContact O-N 3.27Å; S133-R135 PolarHBondContact OG-N 3.4Å; S133-D136 WeakPolarHBondContact CB-OD2 3.09Å; S133-D136 PolarHBondContact O-N 3.45Å; S133-I137 PolarHBondContact O-N 3.23Å
134A61.3Low73Confident65 Ų6578.3 Ų78.354%0.53739%0.389SS..Hα-helixtrans-55.9-24.7177.500000113.9L132 Q138L132-A134 PolarHBondContact O-N 2.86Å; A134-Q138 PolarHBondContact O-N 3.39Å
135R63.2Low72.9Confident198 Ų19875.4 Ų75.475%0.74738%0.375SS*.Hα-helixtrans-70.1-36.2175.9-63.5-173.1-172.5179.23.3112.1S133 Q138 T139S133-R135 PolarHBondContact O-N 3.27Å; S133-R135 PolarHBondContact OG-N 3.4Å; R135-Q138 PolarHBondContact O-N 2.98Å; R135-T139 WeakPolarHBondContact O-CB 3.41Å; R135-T139 PolarHBondContact O-N 3.23Å; R135-T139 VanDerWaalsContact O-N 3.1Å; R135-T139 PolarHBondContact O-OG1 2.68Å
136D65.2Low72.7Confident66 Ų6675.4 Ų75.435%0.35338%0.375SS..Hα-helixtrans-74.8-32.2-179.1-59.7-29.7000111S133 N140S133-D136 WeakPolarHBondContact CB-OD2 3.09Å; S133-D136 PolarHBondContact O-N 3.45Å; D136-N140 WeakPolarHBondContact O-CB 3.32Å; D136-N140 PolarHBondContact O-N 2.9Å; D136-N140 VanDerWaalsContact O-N 3.15Å
137I65.4Low72.7Confident28 Ų2873.1 Ų73.114%0.14437%0.367CS..Hα-helixtrans-63.6-40.4175.2-58.7175.2000111.1L129 L132 S133 I143 V147L129-I137 HydrophobicContact CD2-CD1 3.97Å; L129-I137 HydrophobicContact CG-CD1 4.25Å; L132-I137 HydrophobicContact CB-CD1 4.29Å; L132-I137 HydrophobicContact CB-CG1 4.26Å; L132-I137 HydrophobicContact CD2-CG1 4.48Å; S133-I137 PolarHBondContact O-N 3.23Å; I137-I143 HydrophobicContact CG1-CG2 4.42Å; I137-V147 HydrophobicContact CG2-CG2 4.44Å
138Q62.2Low72.5Confident158 Ų15870.1 Ų70.174%0.73835%0.349SS*.Hα-helixtrans-80.4-34-178.5-68.4-179.25.200113.1A134 R135A134-Q138 PolarHBondContact O-N 3.39Å; R135-Q138 PolarHBondContact O-N 2.98Å
139T67.8Low72.8Confident117 Ų11769.3 Ų69.372%0.71835%0.346SS*.Hα-helixtrans-76.9-33.9-175.6-53.30000111.6R135R135-T139 WeakPolarHBondContact O-CB 3.41Å; R135-T139 PolarHBondContact O-N 3.23Å; R135-T139 VanDerWaalsContact O-N 3.1Å; R135-T139 PolarHBondContact O-OG1 2.68Å
140N68.9Low72.9Confident31 Ų3167.7 Ų67.717%0.16634%0.337CS..  trans-101116.3-170.9-155-34.2000113.7H106 D136 Y142 I143 K144H106-N140 WeakPolarHBondContact CB-ND2 3.28Å; D136-N140 WeakPolarHBondContact O-CB 3.32Å; D136-N140 PolarHBondContact O-N 2.9Å; D136-N140 VanDerWaalsContact O-N 3.15Å; N140-Y142 PolarHBondContact O-N 3.37Å; N140-Y142 WeakPolarHBondContact OD1-CB 3.5Å; N140-Y142 WeakPolarHBondContact OD1-CD2 3.47Å; N140-Y142 PolarHBondContact OD1-N 3.11Å; N140-I143 HydrophobicContact CB-CD1 4.36Å; N140-I143 HydrophobicContact CB-CG1 4.44Å; N140-I143 PolarHBondContact O-N 3.15Å; N140-K144 WeakPolarHBondContact O-CB 3.31Å; N140-K144 PolarHBondContact O-N 3.26Å
141I71.9Confident73.1Confident119 Ų11964.2 Ų64.261%0.6132%0.321SS*.Hα-helixtrans-58-33.3176.4-63.1161.9000111.4I143 H145I141-I143 PolarHBondContact O-N 3.31Å; I141-H145 PolarHBondContact O-N 3.42Å
142Y70.5Confident73.6Confident82 Ų8262.6 Ų62.632%0.32232%0.315SS..Hα-helixtrans-69.1-29.7-178.6-66.8-74.9000113.7N140 P146 P169 A170 Y173N140-Y142 PolarHBondContact O-N 3.37Å; N140-Y142 WeakPolarHBondContact OD1-CB 3.5Å; N140-Y142 WeakPolarHBondContact OD1-CD2 3.47Å; N140-Y142 PolarHBondContact OD1-N 3.11Å; Y142-P146 WeakPolarHBondContact O-CD 3.39Å; Y142-P169 HydrophobicContact CD1-CB 3.96Å; Y142-P169 HydrophobicContact CD1-CG 3.52Å; Y142-P169 HydrophobicContact CE1-CB 3.45Å; Y142-P169 VanDerWaalsContact CE1-CB 3.45Å; Y142-P169 HydrophobicContact CE1-CG 3.56Å; Y142-P169 HydrophobicContact CG-CG 4.48Å; Y142-A170 HydrophobicContact CE1-CB 4.16Å; Y142-Y173 AromaticContact CD1-CE2 3.93Å; Y142-Y173 HydrophobicContact CD1-CE2 3.93Å
143I74.8Confident74.1Confident1 Ų163.9 Ų63.91%0.00532%0.322CS..Hα-helixtrans-91.7-34.7178.6-61.4174.4000110.4H106 L109 L113 L132 I137 N140 I141 H145 P146 V147H106-I143 HydrophobicContact CB-CD1 4Å; H106-I143 HydrophobicContact CB-CG1 4.39Å; L109-I143 HydrophobicContact CD2-CD1 4.5Å; L113-I143 HydrophobicContact CD1-CG2 4.1Å; L132-I143 HydrophobicContact CD2-CD1 3.94Å; L132-I143 HydrophobicContact CD2-CG2 4.14Å; I137-I143 HydrophobicContact CG1-CG2 4.42Å; N140-I143 HydrophobicContact CB-CD1 4.36Å; N140-I143 HydrophobicContact CB-CG1 4.44Å; N140-I143 PolarHBondContact O-N 3.15Å; I141-I143 PolarHBondContact O-N 3.31Å; I143-H145 VanDerWaalsContact C-N 3.25Å; I143-H145 PolarHBondContact O-N 2.72Å; I143-P146 VanDerWaalsContact O-CD 3.28Å; I143-P146 WeakPolarHBondContact O-CD 3.46Å; I143-V147 HydrophobicContact CG2-CG2 4.5Å; I143-V147 WeakPolarHBondContact O-CG2 3.07Å; I143-V147 PolarHBondContact O-N 3.43Å
144K79.7Confident75Confident119 Ų11967 Ų6752%0.51733%0.331SS..Hα-helixtrans-59.4-37.1176.4-173.7172.6-177.7173.50112.4N140 V147 S148N140-K144 WeakPolarHBondContact O-CB 3.31Å; N140-K144 PolarHBondContact O-N 3.26Å; K144-V147 PolarHBondContact O-N 3.21Å; K144-S148 WeakPolarHBondContact O-CB 3.06Å; K144-S148 PolarHBondContact O-N 3.29Å; K144-S148 PolarHBondContact O-OG 3.01Å; K144-S148 VanDerWaalsContact O-OG 3.11Å
145H79.6Confident75.9Confident19 Ų1968.5 Ų68.59%0.08833%0.327CS..Hα-helixtrans-61.7-53.7-179.2178.3-78.4000112.8I141 I143 V147 S148 L149 A164 N167I141-H145 PolarHBondContact O-N 3.42Å; I143-H145 VanDerWaalsContact C-N 3.25Å; I143-H145 PolarHBondContact O-N 2.72Å; H145-V147 VanDerWaalsContact C-N 3.3Å; H145-V147 PolarHBondContact O-N 3.36Å; H145-S148 PolarHBondContact O-N 2.99Å; H145-L149 VanDerWaalsContact O-CB 3.3Å; H145-L149 WeakPolarHBondContact O-CB 3.41Å; H145-L149 PolarHBondContact O-N 2.88Å; H145-A164 PolarHBondContact NE2-O 3.13Å; H145-N167 PolarHBondContact CD2-O 3.2Å
146P81.2Confident76.6Confident0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-55.9-39.2173-25.830.3000114.2L113 L114 Y142 I143 L149 E150L113-P146 HydrophobicContact CB-CB 4.02Å; L114-P146 HydrophobicContact CD1-CG 4.35Å; L114-P146 HydrophobicContact CD2-CB 4.09Å; L114-P146 HydrophobicContact CD2-CG 4.13Å; L114-P146 HydrophobicContact CG-CB 4.17Å; L114-P146 HydrophobicContact CG-CG 3.86Å; Y142-P146 WeakPolarHBondContact O-CD 3.39Å; I143-P146 VanDerWaalsContact O-CD 3.28Å; I143-P146 WeakPolarHBondContact O-CD 3.46Å; P146-L149 WeakPolarHBondContact O-CB 3.41Å; P146-L149 PolarHBondContact O-N 3.13Å; P146-E150 WeakPolarHBondContact O-CB 3.43Å; P146-E150 PolarHBondContact O-N 3.26Å
147V82.6Confident77.3Confident31 Ų3159.1 Ų59.119%0.18830%0.303CS..Hα-helixtrans-68.4-45.3179.3176.70000111.6F125 L129 I137 I143 K144 H145 L149 E150 Q151F125-V147 HydrophobicContact CZ-CG2 4.45Å; L129-V147 HydrophobicContact CD1-CG1 4.41Å; L129-V147 HydrophobicContact CD1-CG2 3.79Å; I137-V147 HydrophobicContact CG2-CG2 4.44Å; I143-V147 HydrophobicContact CG2-CG2 4.5Å; I143-V147 WeakPolarHBondContact O-CG2 3.07Å; I143-V147 PolarHBondContact O-N 3.43Å; K144-V147 PolarHBondContact O-N 3.21Å; H145-V147 VanDerWaalsContact C-N 3.3Å; H145-V147 PolarHBondContact O-N 3.36Å; V147-L149 VanDerWaalsContact C-N 3.28Å; V147-L149 PolarHBondContact O-N 3.42Å; V147-E150 PolarHBondContact O-N 2.87Å; V147-Q151 PolarHBondContact O-N 3.44Å
148S81.8Confident77.8Confident30 Ų3060.5 Ų60.521%0.2131%0.307CS..Hα-helixtrans-64.8-35.8175.1-62.90000111.7K144 H145 Q151 Y152K144-S148 WeakPolarHBondContact O-CB 3.06Å; K144-S148 PolarHBondContact O-N 3.29Å; K144-S148 PolarHBondContact O-OG 3.01Å; K144-S148 VanDerWaalsContact O-OG 3.11Å; H145-S148 PolarHBondContact O-N 2.99Å; S148-Q151 PolarHBondContact O-N 3.15Å; S148-Y152 WeakPolarHBondContact O-CD2 3.39Å; S148-Y152 PolarHBondContact O-N 3.15Å
149L82.1Confident78.5Confident6 Ų658 Ų583%0.03130%0.299CS..Hα-helixtrans-63.8-43.8176.3-169.969.9000111.7L114 H145 P146 V147 Y152 L153 V161 A164 I177 L180L114-L149 HydrophobicContact CD2-CD2 3.75Å; H145-L149 VanDerWaalsContact O-CB 3.3Å; H145-L149 WeakPolarHBondContact O-CB 3.41Å; H145-L149 PolarHBondContact O-N 2.88Å; P146-L149 WeakPolarHBondContact O-CB 3.41Å; P146-L149 PolarHBondContact O-N 3.13Å; V147-L149 VanDerWaalsContact C-N 3.28Å; V147-L149 PolarHBondContact O-N 3.42Å; L149-Y152 PolarHBondContact O-N 2.89Å; L149-L153 PolarHBondContact O-N 2.9Å; L149-V161 HydrophobicContact CD1-CB 4.34Å; L149-V161 HydrophobicContact CD1-CG1 3.85Å; L149-V161 HydrophobicContact CD1-CG2 4.34Å; L149-A164 HydrophobicContact CD1-CB 4.19Å; L149-I177 HydrophobicContact CD2-CD1 3.42Å; L149-I177 VanDerWaalsContact CD2-CD1 3.42Å; L149-L180 HydrophobicContact CD2-CD2 3.66Å; L149-L180 HydrophobicContact CG-CD2 4.35Å
150E83.3Confident78.8Confident10 Ų1056.6 Ų56.65%0.04728%0.283CS..Hα-helixtrans-63.5-44175.5-170.3-81.5149.200111.3L117 F125 H126 P146 V147 Y152 L153 M154L117-E150 HydrophobicContact CD1-CB 4.05Å; L117-E150 HydrophobicContact CD2-CB 3.92Å; L117-E150 HydrophobicContact CD2-CG 3.52Å; F125-E150 HydrophobicContact CD1-CG 4.07Å; F125-E150 HydrophobicContact CE1-CB 4.01Å; F125-E150 HydrophobicContact CE1-CG 3.63Å; F125-E150 HydrophobicContact CZ-CB 3.83Å; F125-E150 HydrophobicContact CZ-CG 3.92Å; H126-E150 IonicContact CE1-OE1 3.63Å; H126-E150 IonicContact CE1-OE2 3.96Å; H126-E150 IonicContact NE2-OE1 2.7Å; P146-E150 WeakPolarHBondContact O-CB 3.43Å; P146-E150 PolarHBondContact O-N 3.26Å; V147-E150 PolarHBondContact O-N 2.87Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 3.3Å; E150-L153 WeakPolarHBondContact O-CA 3.32Å; E150-L153 WeakPolarHBondContact O-CB 3.45Å; E150-L153 PolarHBondContact O-N 3.42Å; E150-L153 VanDerWaalsContact O-N 3.07Å; E150-M154 PolarHBondContact O-N 3.42Å; E150-M154 WeakPolarHBondContact OE1-CE 3.14Å; E150-M154 VanDerWaalsContact OE1-CG 3.3Å; E150-M154 WeakPolarHBondContact OE1-CG 3.13Å; E150-M154 VanDerWaalsContact OE1-SD 3.33Å; E150-M154 WeakPolarHBondContact OE2-CE 3.42Å
151Q84.9Confident79.2Confident93 Ų9355.4 Ų55.444%0.43528%0.276SS..Hα-helixtrans-59.1-42.9173.2-175.2-177.5-18.700112.2V147 S148 L153 M154 E155V147-Q151 PolarHBondContact O-N 3.44Å; S148-Q151 PolarHBondContact O-N 3.15Å; Q151-L153 VanDerWaalsContact C-N 3.26Å; Q151-L153 PolarHBondContact O-N 3.47Å; Q151-M154 PolarHBondContact O-N 3.45Å; Q151-E155 HydrophobicContact CG-CG 4.49Å; Q151-E155 PolarHBondContact NE2-OE1 3.19Å; Q151-E155 WeakPolarHBondContact O-CB 3.44Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 3.41Å
152Y83.8Confident79.2Confident61 Ų6151.6 Ų51.624%0.23926%0.255CS..Hα-helixtrans-65.8-31.4176.7-60.1-32000112.8S148 L149 E150 G156 S157 K160 A164S148-Y152 WeakPolarHBondContact O-CD2 3.39Å; S148-Y152 PolarHBondContact O-N 3.15Å; L149-Y152 PolarHBondContact O-N 2.89Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 3.3Å; Y152-G156 PolarHBondContact O-N 3.06Å; Y152-G156 VanDerWaalsContact O-N 3.16Å; Y152-S157 PolarHBondContact O-N 2.97Å; Y152-K160 HydrophobicContact CD1-CB 4.03Å; Y152-K160 HydrophobicContact CD1-CD 3.66Å; Y152-K160 HydrophobicContact CD2-CB 3.84Å; Y152-K160 HydrophobicContact CE1-CB 4.23Å; Y152-K160 HydrophobicContact CE1-CD 3.55Å; Y152-K160 HydrophobicContact CE2-CB 4.06Å; Y152-K160 HydrophobicContact CG-CB 3.84Å; Y152-K160 HydrophobicContact CG-CD 4.33Å; Y152-A164 HydrophobicContact CE2-CB 4.48Å
153L81.9Confident79.3Confident49 Ų4954 Ų5426%0.25727%0.273SS..Hα-helixtrans-68.2-43.6173.5-17464.2000110.8L149 E150 Q151 G156 Y158 I184L149-L153 PolarHBondContact O-N 2.9Å; E150-L153 WeakPolarHBondContact O-CA 3.32Å; E150-L153 WeakPolarHBondContact O-CB 3.45Å; E150-L153 PolarHBondContact O-N 3.42Å; E150-L153 VanDerWaalsContact O-N 3.07Å; Q151-L153 VanDerWaalsContact C-N 3.26Å; Q151-L153 PolarHBondContact O-N 3.47Å; L153-G156 PolarHBondContact O-N 2.84Å; L153-G156 VanDerWaalsContact O-N 3.09Å; L153-Y158 HydrophobicContact CD1-CE1 4.25Å; L153-I184 HydrophobicContact CD1-CD1 3.9Å; L153-I184 HydrophobicContact CD1-CG1 3.82Å
154M82.4Confident79Confident123 Ų12354.7 Ų54.761%0.60628%0.279SS*.Hα-helixtrans-63.8-39.9173.8-75.8-161.4-80.400113E150 Q151 G156E150-M154 PolarHBondContact O-N 3.42Å; E150-M154 WeakPolarHBondContact OE1-CE 3.14Å; E150-M154 VanDerWaalsContact OE1-CG 3.3Å; E150-M154 WeakPolarHBondContact OE1-CG 3.13Å; E150-M154 VanDerWaalsContact OE1-SD 3.33Å; E150-M154 WeakPolarHBondContact OE2-CE 3.42Å; Q151-M154 PolarHBondContact O-N 3.45Å; M154-G156 PolarHBondContact O-N 3.01Å
155E81.4Confident78.3Confident97 Ų9752.4 Ų52.445%0.45327%0.269SS..THydrogen-bonded Turntrans-68.2-14.1174.2-73.4176.3-166.300112.6Q151 S157 K160Q151-E155 HydrophobicContact CG-CG 4.49Å; Q151-E155 PolarHBondContact NE2-OE1 3.19Å; Q151-E155 WeakPolarHBondContact O-CB 3.44Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 3.41Å; E155-S157 PolarHBondContact O-N 2.96Å; E155-K160 IonicContact OE2-NZ 3.34Å; E155-K160 PolarHBondContact OE2-NZ 3.46Å
156G78.3Confident77.5Confident35 Ų3555 Ų5536%0.36130%0.301SS..THydrogen-bonded Turntrans65.718-171.300000113.3Y152 L153 M154 Y158Y152-G156 PolarHBondContact O-N 3.06Å; Y152-G156 VanDerWaalsContact O-N 3.16Å; L153-G156 PolarHBondContact O-N 2.84Å; L153-G156 VanDerWaalsContact O-N 3.09Å; M154-G156 PolarHBondContact O-N 3.01Å; G156-Y158 VanDerWaalsContact O-CD2 3.28Å; G156-Y158 WeakPolarHBondContact O-CD2 3.35Å; G156-Y158 WeakPolarHBondContact O-CE2 3.3Å; G156-Y158 PolarHBondContact O-N 3.23Å; G156-Y158 VanDerWaalsContact O-N 3.11Å
157S78.7Confident76.7Confident33 Ų3360.7 Ų60.723%0.23133%0.331CS..  trans-88.274.4-175.2-161.60000111.6Y152 E155 N159 K160 V161Y152-S157 PolarHBondContact O-N 2.97Å; E155-S157 PolarHBondContact O-N 2.96Å; S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 3.47Å; S157-K160 PolarHBondContact O-N 3.22Å; S157-K160 VanDerWaalsContact O-N 3.12Å; S157-V161 PolarHBondContact O-N 3.15Å
158Y75.3Confident75.8Confident56 Ų5661.3 Ų61.322%0.2233%0.333CS..Hα-helixtrans-62.9-28.9-175.7-57.2-65.3000114.1L153 G156 K160 V161 F162 I184 I188L153-Y158 HydrophobicContact CD1-CE1 4.25Å; G156-Y158 VanDerWaalsContact O-CD2 3.28Å; G156-Y158 WeakPolarHBondContact O-CD2 3.35Å; G156-Y158 WeakPolarHBondContact O-CE2 3.3Å; G156-Y158 PolarHBondContact O-N 3.23Å; G156-Y158 VanDerWaalsContact O-N 3.11Å; Y158-K160 VanDerWaalsContact C-N 3.25Å; Y158-K160 PolarHBondContact O-N 3.24Å; Y158-V161 WeakPolarHBondContact O-CB 3.34Å; Y158-V161 PolarHBondContact O-N 3.39Å; Y158-V161 VanDerWaalsContact O-N 3.15Å; Y158-F162 WeakPolarHBondContact O-CD2 3.48Å; Y158-F162 PolarHBondContact O-N 3Å; Y158-I184 HydrophobicContact CD1-CG2 3.43Å; Y158-I184 VanDerWaalsContact CD1-CG2 3.43Å; Y158-I184 HydrophobicContact CE1-CG2 3.47Å; Y158-I184 VanDerWaalsContact CE1-CG2 3.47Å; Y158-I184 HydrophobicContact CG-CG2 4.47Å; Y158-I188 HydrophobicContact CD1-CD1 3.73Å; Y158-I188 HydrophobicContact CD1-CG1 4.09Å; Y158-I188 HydrophobicContact CD2-CD1 3.76Å; Y158-I188 HydrophobicContact CD2-CG1 3.73Å; Y158-I188 HydrophobicContact CE1-CD1 4.01Å; Y158-I188 HydrophobicContact CE1-CG1 3.86Å; Y158-I188 HydrophobicContact CE2-CD1 4.04Å; Y158-I188 HydrophobicContact CE2-CG1 3.49Å; Y158-I188 VanDerWaalsContact CE2-CG1 3.49Å; Y158-I188 HydrophobicContact CG-CD1 3.58Å; Y158-I188 HydrophobicContact CG-CG1 4.01Å
159N77.3Confident74.7Confident106 Ų10662.1 Ų62.157%0.56734%0.338SS*.Hα-helixtrans-56.2-42.2174.9-65.4-20.6000111.6S157 L163 F209S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 3.47Å; N159-L163 WeakPolarHBondContact O-CG 3.24Å; N159-L163 PolarHBondContact O-N 2.94Å; N159-L163 VanDerWaalsContact O-N 3.14Å; N159-F209 VanDerWaalsContact OD1-CZ 3.27Å; N159-F209 WeakPolarHBondContact OD1-CZ 3.5Å
160K74.9Confident73.6Confident88 Ų8862.4 Ų62.438%0.38334%0.341SS..Hα-helixtrans-73.6-34.4179.3-64.5-177.8-170.8168.10111.8Y152 E155 S157 Y158 F162 L163 A164Y152-K160 HydrophobicContact CD1-CB 4.03Å; Y152-K160 HydrophobicContact CD1-CD 3.66Å; Y152-K160 HydrophobicContact CD2-CB 3.84Å; Y152-K160 HydrophobicContact CE1-CB 4.23Å; Y152-K160 HydrophobicContact CE1-CD 3.55Å; Y152-K160 HydrophobicContact CE2-CB 4.06Å; Y152-K160 HydrophobicContact CG-CB 3.84Å; Y152-K160 HydrophobicContact CG-CD 4.33Å; E155-K160 IonicContact OE2-NZ 3.34Å; E155-K160 PolarHBondContact OE2-NZ 3.46Å; S157-K160 PolarHBondContact O-N 3.22Å; S157-K160 VanDerWaalsContact O-N 3.12Å; Y158-K160 VanDerWaalsContact C-N 3.25Å; Y158-K160 PolarHBondContact O-N 3.24Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 2.73Å; K160-L163 PolarHBondContact O-N 3.27Å; K160-A164 VanDerWaalsContact O-CB 3.32Å; K160-A164 WeakPolarHBondContact O-CB 3.48Å; K160-A164 PolarHBondContact O-N 2.68Å
161V76.4Confident72.7Confident5 Ų570.4 Ų70.43%0.0338%0.378CS..Hα-helixtrans-59-45.8173.3173.70000110.7L149 S157 Y158 A164 K165 L181 I184L149-V161 HydrophobicContact CD1-CB 4.34Å; L149-V161 HydrophobicContact CD1-CG1 3.85Å; L149-V161 HydrophobicContact CD1-CG2 4.34Å; S157-V161 PolarHBondContact O-N 3.15Å; Y158-V161 WeakPolarHBondContact O-CB 3.34Å; Y158-V161 PolarHBondContact O-N 3.39Å; Y158-V161 VanDerWaalsContact O-N 3.15Å; V161-A164 PolarHBondContact O-N 3.36Å; V161-K165 PolarHBondContact O-N 2.87Å; V161-L181 HydrophobicContact CG1-CD2 4.2Å; V161-I184 HydrophobicContact CG1-CD1 3.96Å
162F72.6Confident71.9Confident40 Ų4067.5 Ų67.518%0.17537%0.368CS..Hα-helixtrans-68-35.3177-83.4-78.7000113.1Y158 K160 K165 L181 F209Y158-F162 WeakPolarHBondContact O-CD2 3.48Å; Y158-F162 PolarHBondContact O-N 3Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 2.73Å; F162-K165 WeakPolarHBondContact O-CB 3.33Å; F162-K165 PolarHBondContact O-N 2.91Å; F162-L181 HydrophobicContact CD1-CD2 4.25Å; F162-L181 HydrophobicContact CE1-CD1 4.44Å; F162-L181 HydrophobicContact CE1-CD2 3.8Å; F162-L181 HydrophobicContact CE2-CD2 4.32Å; F162-L181 HydrophobicContact CZ-CD2 3.84Å; F162-F209 HydrophobicContact CD1-CB 4.41Å; F162-F209 HydrophobicContact CD1-CG 4.44Å; F162-F209 HydrophobicContact CD2-CB 4.46Å; F162-F209 HydrophobicContact CD2-CD1 4.47Å; F162-F209 AromaticContact CD2-CD2 3.47Å; F162-F209 HydrophobicContact CD2-CD2 3.47Å; F162-F209 VanDerWaalsContact CD2-CD2 3.47Å; F162-F209 AromaticContact CD2-CE2 3.71Å; F162-F209 HydrophobicContact CD2-CE2 3.71Å; F162-F209 AromaticContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CZ 4.32Å; F162-F209 HydrophobicContact CE1-CB 3.95Å; F162-F209 HydrophobicContact CE1-CG 4.35Å; F162-F209 HydrophobicContact CE2-CB 4.03Å; F162-F209 AromaticContact CE2-CD2 3.28Å; F162-F209 HydrophobicContact CE2-CD2 3.28Å; F162-F209 AromaticContact CE2-CE2 3.91Å; F162-F209 HydrophobicContact CE2-CE2 3.91Å; F162-F209 AromaticContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CG-CD2 4.25Å; F162-F209 HydrophobicContact CG-CG 4.23Å; F162-F209 HydrophobicContact CZ-CB 3.75Å; F162-F209 AromaticContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CG 4.04Å
163L73Confident71.3Confident133 Ų13364.6 Ų64.670%0.69636%0.357SS*.Hα-helixtrans-68.3-36.4172.5-70.7170.5000112.1N159 K160 K165 G166N159-L163 WeakPolarHBondContact O-CG 3.24Å; N159-L163 PolarHBondContact O-N 2.94Å; N159-L163 VanDerWaalsContact O-N 3.14Å; K160-L163 PolarHBondContact O-N 3.27Å; L163-K165 PolarHBondContact O-N 3.23Å; L163-G166 PolarHBondContact O-N 2.72Å
164A68.6Low71Confident15 Ų1565.6 Ų65.612%0.12436%0.362CS..Hα-helixtrans-65-22175.100000112.5H145 L149 Y152 K160 V161 G166 N167H145-A164 PolarHBondContact NE2-O 3.13Å; L149-A164 HydrophobicContact CD1-CB 4.19Å; Y152-A164 HydrophobicContact CE2-CB 4.48Å; K160-A164 VanDerWaalsContact O-CB 3.32Å; K160-A164 WeakPolarHBondContact O-CB 3.48Å; K160-A164 PolarHBondContact O-N 2.68Å; V161-A164 PolarHBondContact O-N 3.36Å; A164-G166 VanDerWaalsContact C-N 3.26Å; A164-G166 PolarHBondContact O-N 3.18Å; A164-N167 PolarHBondContact O-N 3.25Å
165K64.3Low70.7Confident70 Ų7062 Ų6230%0.30434%0.343SS..G310 helixtrans-62.5-30.3166.7-167.5-174.2-176149.80112.5V161 F162 L163 N167 I168 I177 D178 L181V161-K165 PolarHBondContact O-N 2.87Å; F162-K165 WeakPolarHBondContact O-CB 3.33Å; F162-K165 PolarHBondContact O-N 2.91Å; L163-K165 PolarHBondContact O-N 3.23Å; K165-N167 VanDerWaalsContact C-N 3.28Å; K165-N167 PolarHBondContact O-N 3.07Å; K165-I168 HydrophobicContact CG-CD1 4Å; K165-I168 WeakPolarHBondContact O-CD1 3.11Å; K165-I168 WeakPolarHBondContact O-CG1 3.39Å; K165-I177 HydrophobicContact CG-CG2 4.21Å; K165-D178 IonicContact NZ-OD1 3.55Å; K165-D178 PolarHBondContact NZ-OD1 3.41Å; K165-L181 HydrophobicContact CD-CD1 3.82Å
166G62Low70.5Confident74 Ų7457.6 Ų57.676%0.76332%0.323SS*.G310 helixtrans-72.7-21.8176.900000113.5L163 A164L163-G166 PolarHBondContact O-N 2.72Å; A164-G166 VanDerWaalsContact C-N 3.26Å; A164-G166 PolarHBondContact O-N 3.18Å
167N65.4Low70.5Confident119 Ų11956.2 Ų56.264%0.63631%0.307SS*.G310 helixtrans-10744.3-172.4-162.719.6000112.1H145 A164 K165 P169H145-N167 PolarHBondContact CD2-O 3.2Å; A164-N167 PolarHBondContact O-N 3.25Å; K165-N167 VanDerWaalsContact C-N 3.28Å; K165-N167 PolarHBondContact O-N 3.07Å; N167-P169 VanDerWaalsContact O-CD 3.3Å; N167-P169 WeakPolarHBondContact O-CD 3.33Å
168I62.9Low70.6Confident44 Ų4457.8 Ų57.823%0.22631%0.313CS..  trans-88.1117.1-178-60.9159.2000109.2K165 A170 Y173K165-I168 HydrophobicContact CG-CD1 4Å; K165-I168 WeakPolarHBondContact O-CD1 3.11Å; K165-I168 WeakPolarHBondContact O-CG1 3.39Å; I168-A170 WeakPolarHBondContact CG2-O 3.45Å; I168-Y173 HydrophobicContact CG2-CD2 4.2Å
169P58.3Low70.9Confident47 Ų4757.6 Ų57.631%0.30532%0.315SS..SBendtrans-83.7-6.8-178.133.7-36.6000113.9Y142 N167 Y173Y142-P169 HydrophobicContact CD1-CB 3.96Å; Y142-P169 HydrophobicContact CD1-CG 3.52Å; Y142-P169 HydrophobicContact CE1-CB 3.45Å; Y142-P169 VanDerWaalsContact CE1-CB 3.45Å; Y142-P169 HydrophobicContact CE1-CG 3.56Å; Y142-P169 HydrophobicContact CG-CG 4.48Å; N167-P169 VanDerWaalsContact O-CD 3.3Å; N167-P169 WeakPolarHBondContact O-CD 3.33Å; P169-Y173 HydrophobicContact CG-CE2 4.32Å
170A60.3Low71.1Confident12 Ų1253 Ų5310%0.09929%0.291CS..  trans-145.7133.9178.900000113.8Y142 I168 S172 Y173Y142-A170 HydrophobicContact CE1-CB 4.16Å; I168-A170 WeakPolarHBondContact CG2-O 3.45Å; A170-S172 PolarHBondContact O-N 3.37Å; A170-Y173 HydrophobicContact CB-CD2 3.91Å; A170-Y173 HydrophobicContact CB-CE2 3.92Å; A170-Y173 HydrophobicContact CB-CG 4.39Å; A170-Y173 WeakPolarHBondContact O-CB 3.49Å; A170-Y173 PolarHBondContact O-N 3.32Å; A170-Y173 VanDerWaalsContact O-N 3.08Å
171E64.7Low71.3Confident179 Ų17948.9 Ų48.984%0.83627%0.273SS*.THydrogen-bonded Turntrans-60-31-178-167172.2179.200113.3Y173 N174E171-Y173 PolarHBondContact O-N 3.19Å; E171-N174 WeakPolarHBondContact O-CB 3.38Å; E171-N174 PolarHBondContact O-N 3.04Å; E171-N174 VanDerWaalsContact O-N 3.16Å
172S68.1Low71.6Confident32 Ų3252 Ų5222%0.22429%0.289CS..Hα-helixtrans-63.5-19.8177.2-49.10000113.9A170A170-S172 PolarHBondContact O-N 3.37Å
173Y71Confident72.1Confident0 Ų052.4 Ų52.40%030%0.295CS..Hα-helixtrans-80.9-22.9177.7-61.3-27.5000113.2Q107 L111 L114 Y142 I168 P169 A170 E171 F175 F176 I177Q107-Y173 WeakPolarHBondContact CA-OH 3.48Å; Q107-Y173 PolarHBondContact O-OH 3.28Å; L111-Y173 HydrophobicContact CB-CD1 4.33Å; L111-Y173 HydrophobicContact CB-CE1 3.73Å; L111-Y173 HydrophobicContact CD1-CD1 3.85Å; L111-Y173 HydrophobicContact CD1-CE1 3.81Å; L111-Y173 HydrophobicContact CG-CD1 4.06Å; L111-Y173 HydrophobicContact CG-CE1 3.95Å; L114-Y173 HydrophobicContact CD1-CD1 3.52Å; L114-Y173 HydrophobicContact CD1-CD2 4.23Å; L114-Y173 HydrophobicContact CD1-CE1 4.08Å; L114-Y173 HydrophobicContact CD1-CG 3.62Å; Y142-Y173 AromaticContact CD1-CE2 3.93Å; Y142-Y173 HydrophobicContact CD1-CE2 3.93Å; I168-Y173 HydrophobicContact CG2-CD2 4.2Å; P169-Y173 HydrophobicContact CG-CE2 4.32Å; A170-Y173 HydrophobicContact CB-CD2 3.91Å; A170-Y173 HydrophobicContact CB-CE2 3.92Å; A170-Y173 HydrophobicContact CB-CG 4.39Å; A170-Y173 WeakPolarHBondContact O-CB 3.49Å; A170-Y173 PolarHBondContact O-N 3.32Å; A170-Y173 VanDerWaalsContact O-N 3.08Å; E171-Y173 PolarHBondContact O-N 3.19Å; Y173-F175 PolarHBondContact O-N 3.08Å; Y173-F176 PolarHBondContact O-N 3.41Å; Y173-I177 WeakPolarHBondContact O-CB 3.05Å; Y173-I177 VanDerWaalsContact O-CG1 3.28Å; Y173-I177 WeakPolarHBondContact O-CG1 3.18Å; Y173-I177 PolarHBondContact O-N 3.5Å
174N75.3Confident72.5Confident69 Ų6946.4 Ų46.437%0.36926%0.263SS..Hα-helixtrans-60.1-36.7-175.7-160.312.5000111.6E171 I177 D178E171-N174 WeakPolarHBondContact O-CB 3.38Å; E171-N174 PolarHBondContact O-N 3.04Å; E171-N174 VanDerWaalsContact O-N 3.16Å; N174-I177 PolarHBondContact O-N 3.16Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3.43Å
175F76.9Confident73.1Confident47 Ų4747.6 Ų47.621%0.20627%0.265CS..Hα-helixtrans-61.3-49.1177.8178.8-111.4000113.3K76 Y173 D178 I179K76-F175 HydrophobicContact CB-CE1 4.21Å; K76-F175 HydrophobicContact CB-CE2 4.11Å; K76-F175 HydrophobicContact CB-CZ 3.61Å; K76-F175 HydrophobicContact CD-CD2 4.08Å; K76-F175 HydrophobicContact CD-CE2 3.36Å; K76-F175 HydrophobicContact CD-CZ 3.78Å; K76-F175 HydrophobicContact CG-CD2 4.12Å; K76-F175 HydrophobicContact CG-CE1 4.14Å; K76-F175 HydrophobicContact CG-CE2 3.51Å; K76-F175 HydrophobicContact CG-CZ 3.5Å; Y173-F175 PolarHBondContact O-N 3.08Å; F175-D178 PolarHBondContact O-N 3.45Å; F175-I179 HydrophobicContact CD1-CD1 4.26Å; F175-I179 HydrophobicContact CE1-CD1 3.67Å; F175-I179 HydrophobicContact CE2-CD1 4.07Å; F175-I179 HydrophobicContact CZ-CD1 3.57Å; F175-I179 PolarHBondContact O-N 2.68Å
176F75.6Confident73.9Confident5 Ų547.3 Ų47.32%0.02227%0.267CS..Hα-helixtrans-72.4-34.3180-67.1-73000112.4I73 L111 L114 F115 Y173 D178 I179 L180I73-F176 HydrophobicContact CB-CE2 4.38Å; I73-F176 HydrophobicContact CD1-CE2 4.42Å; I73-F176 HydrophobicContact CG1-CE2 3.9Å; I73-F176 HydrophobicContact CG1-CZ 4.03Å; I73-F176 HydrophobicContact CG2-CE2 3.64Å; I73-F176 HydrophobicContact CG2-CZ 4.23Å; L111-F176 HydrophobicContact CD1-CE2 4.45Å; L111-F176 HydrophobicContact CD2-CD2 4.06Å; L111-F176 HydrophobicContact CD2-CE2 3.45Å; L111-F176 VanDerWaalsContact CD2-CE2 3.45Å; L111-F176 HydrophobicContact CD2-CZ 4.05Å; L111-F176 HydrophobicContact CG-CD2 4.21Å; L111-F176 HydrophobicContact CG-CE2 4.02Å; L114-F176 HydrophobicContact CB-CB 4.29Å; F115-F176 HydrophobicContact CB-CE1 4.39Å; F115-F176 HydrophobicContact CD2-CD1 4.25Å; F115-F176 AromaticContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CE1 3.65Å; F115-F176 HydrophobicContact CD2-CZ 4.38Å; F115-F176 HydrophobicContact CE2-CE1 4.44Å; Y173-F176 PolarHBondContact O-N 3.41Å; F176-D178 VanDerWaalsContact C-N 3.34Å; F176-I179 PolarHBondContact O-N 3.5Å; F176-L180 WeakPolarHBondContact O-CB 3.41Å; F176-L180 PolarHBondContact O-N 3.07Å
177I78.4Confident74.9Confident7 Ų748.9 Ų48.94%0.03625%0.254CS..Hα-helixtrans-64.5-40.3175.1-67.4-66.9000110.8L114 L149 K165 Y173 N174 I179 L180 L181L114-I177 HydrophobicContact CD2-CD1 3.81Å; L149-I177 HydrophobicContact CD2-CD1 3.42Å; L149-I177 VanDerWaalsContact CD2-CD1 3.42Å; K165-I177 HydrophobicContact CG-CG2 4.21Å; Y173-I177 WeakPolarHBondContact O-CB 3.05Å; Y173-I177 VanDerWaalsContact O-CG1 3.28Å; Y173-I177 WeakPolarHBondContact O-CG1 3.18Å; Y173-I177 PolarHBondContact O-N 3.5Å; N174-I177 PolarHBondContact O-N 3.16Å; I177-I179 PolarHBondContact O-N 3.28Å; I177-L180 HydrophobicContact CD1-CD2 4.47Å; I177-L180 PolarHBondContact O-N 3.5Å; I177-L181 HydrophobicContact CG2-CD1 3.87Å; I177-L181 HydrophobicContact CG2-CG 4.19Å; I177-L181 WeakPolarHBondContact O-CB 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.17Å; I177-L181 PolarHBondContact O-N 3.19Å
178D80.6Confident75.7Confident65 Ų6543.5 Ų43.535%0.34823%0.225SC..Hα-helixtrans-64-40.3177-76.5-24.6000112K165 N174 F175 F176 L181 D182K165-D178 IonicContact NZ-OD1 3.55Å; K165-D178 PolarHBondContact NZ-OD1 3.41Å; N174-D178 WeakPolarHBondContact O-CB 3.46Å; N174-D178 PolarHBondContact O-N 3.43Å; F175-D178 PolarHBondContact O-N 3.45Å; F176-D178 VanDerWaalsContact C-N 3.34Å; D178-L181 PolarHBondContact O-N 2.94Å; D178-D182 PolarHBondContact O-N 3.22Å; D178-D182 VanDerWaalsContact O-N 3.15Å
179I82.5Confident76.5Confident53 Ų5341.7 Ų41.727%0.27222%0.217SC..Hα-helixtrans-62-48.8173-64.5169.1000110.6F175 F176 I177 L181 D182 T183F175-I179 HydrophobicContact CD1-CD1 4.26Å; F175-I179 HydrophobicContact CE1-CD1 3.67Å; F175-I179 HydrophobicContact CE2-CD1 4.07Å; F175-I179 HydrophobicContact CZ-CD1 3.57Å; F175-I179 PolarHBondContact O-N 2.68Å; F176-I179 PolarHBondContact O-N 3.5Å; I177-I179 PolarHBondContact O-N 3.28Å; I179-L181 VanDerWaalsContact C-N 3.27Å; I179-L181 PolarHBondContact O-N 3.08Å; I179-D182 PolarHBondContact O-N 3.18Å; I179-D182 VanDerWaalsContact O-N 3.11Å; I179-T183 PolarHBondContact O-N 3.16Å; I179-T183 VanDerWaalsContact O-N 3.09Å; I179-T183 PolarHBondContact O-OG1 3.43Å
180L80.8Confident77.5Confident9 Ų940.3 Ų40.35%0.04721%0.211CC..Hα-helixtrans-59.7-39.5179.3-176.771.4000111.5L117 L149 F176 I177 D182 T183 I184L117-L180 HydrophobicContact CB-CD1 4.24Å; L117-L180 WeakPolarHBondContact O-CD1 3.43Å; L149-L180 HydrophobicContact CD2-CD2 3.66Å; L149-L180 HydrophobicContact CG-CD2 4.35Å; F176-L180 WeakPolarHBondContact O-CB 3.41Å; F176-L180 PolarHBondContact O-N 3.07Å; I177-L180 HydrophobicContact CD1-CD2 4.47Å; I177-L180 PolarHBondContact O-N 3.5Å; L180-D182 VanDerWaalsContact C-N 3.31Å; L180-D182 PolarHBondContact O-N 3.04Å; L180-T183 PolarHBondContact O-N 3.37Å; L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CD2-CD1 4.24Å; L180-I184 HydrophobicContact CG-CD1 3.82Å; L180-I184 HydrophobicContact CG-CG1 4.38Å; L180-I184 WeakPolarHBondContact O-CB 3.49Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.84Å
181L79.5Confident78.5Confident2 Ų243 Ų431%0.0123%0.229CC..Hα-helixtrans-65.5-34.5177.3-74.2171000112.4V161 F162 K165 I177 D178 I179 R185V161-L181 HydrophobicContact CG1-CD2 4.2Å; F162-L181 HydrophobicContact CD1-CD2 4.25Å; F162-L181 HydrophobicContact CE1-CD1 4.44Å; F162-L181 HydrophobicContact CE1-CD2 3.8Å; F162-L181 HydrophobicContact CE2-CD2 4.32Å; F162-L181 HydrophobicContact CZ-CD2 3.84Å; K165-L181 HydrophobicContact CD-CD1 3.82Å; I177-L181 HydrophobicContact CG2-CD1 3.87Å; I177-L181 HydrophobicContact CG2-CG 4.19Å; I177-L181 WeakPolarHBondContact O-CB 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.17Å; I177-L181 PolarHBondContact O-N 3.19Å; D178-L181 PolarHBondContact O-N 2.94Å; I179-L181 VanDerWaalsContact C-N 3.27Å; I179-L181 PolarHBondContact O-N 3.08Å; L181-R185 WeakPolarHBondContact O-CB 3.22Å; L181-R185 WeakPolarHBondContact O-CG 3.29Å; L181-R185 PolarHBondContact O-N 3.37Å
182D82.6Confident79.2Confident71 Ų7134.9 Ų34.938%0.3819%0.191SC..Hα-helixtrans-67.3-43.5173.9-74.7-17.2000110.9D178 I179 L180 I184 R185 D186D178-D182 PolarHBondContact O-N 3.22Å; D178-D182 VanDerWaalsContact O-N 3.15Å; I179-D182 PolarHBondContact O-N 3.18Å; I179-D182 VanDerWaalsContact O-N 3.11Å; L180-D182 VanDerWaalsContact C-N 3.31Å; L180-D182 PolarHBondContact O-N 3.04Å; D182-I184 PolarHBondContact O-N 3.46Å; D182-R185 WeakPolarHBondContact O-CB 3.48Å; D182-R185 PolarHBondContact O-N 3.37Å; D182-R185 IonicContact OD1-CZ 3.81Å; D182-R185 IonicContact OD1-NH1 3.37Å; D182-R185 PolarHBondContact OD1-NH1 3.26Å; D182-D186 PolarHBondContact O-N 2.86Å; D182-D186 VanDerWaalsContact O-N 3.08Å
183T82.8Confident79.6Confident48 Ų4836 Ų3629%0.29419%0.192SC..Hα-helixtrans-61.8-43.5173.6-49.60000112.2I179 L180 R185 D186 E187I179-T183 PolarHBondContact O-N 3.16Å; I179-T183 VanDerWaalsContact O-N 3.09Å; I179-T183 PolarHBondContact O-OG1 3.43Å; L180-T183 PolarHBondContact O-N 3.37Å; T183-R185 VanDerWaalsContact C-N 3.33Å; T183-R185 PolarHBondContact O-N 2.7Å; T183-D186 WeakPolarHBondContact O-CB 3.38Å; T183-D186 PolarHBondContact O-N 2.89Å; T183-D186 VanDerWaalsContact O-N 3.15Å; T183-E187 PolarHBondContact O-N 3.45Å
184I81.4Confident80Confident6 Ų643.3 Ų43.33%0.03122%0.224CC..Hα-helixtrans-62.8-40.3177.1-73.7171.3000111L153 Y158 V161 L180 D182 D186 E187 I188L153-I184 HydrophobicContact CD1-CD1 3.9Å; L153-I184 HydrophobicContact CD1-CG1 3.82Å; Y158-I184 HydrophobicContact CD1-CG2 3.43Å; Y158-I184 VanDerWaalsContact CD1-CG2 3.43Å; Y158-I184 HydrophobicContact CE1-CG2 3.47Å; Y158-I184 VanDerWaalsContact CE1-CG2 3.47Å; Y158-I184 HydrophobicContact CG-CG2 4.47Å; V161-I184 HydrophobicContact CG1-CD1 3.96Å; L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CD2-CD1 4.24Å; L180-I184 HydrophobicContact CG-CD1 3.82Å; L180-I184 HydrophobicContact CG-CG1 4.38Å; L180-I184 WeakPolarHBondContact O-CB 3.49Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.84Å; D182-I184 PolarHBondContact O-N 3.46Å; I184-D186 VanDerWaalsContact C-N 3.26Å; I184-D186 PolarHBondContact O-N 3.09Å; I184-E187 PolarHBondContact O-N 2.96Å; I184-I188 HydrophobicContact CG2-CD1 3.61Å; I184-I188 HydrophobicContact CG2-CG1 4.17Å; I184-I188 WeakPolarHBondContact O-CB 3.38Å; I184-I188 WeakPolarHBondContact O-CG1 3.47Å; I184-I188 PolarHBondContact O-N 3.02Å
185R81.6Confident80.3Confident40 Ų4043.5 Ų43.515%0.15124%0.236CC..Hα-helixtrans-61.1-38.9174.9-77.3170.2-174.6121.99.4111.7L181 D182 T183 A189L181-R185 WeakPolarHBondContact O-CB 3.22Å; L181-R185 WeakPolarHBondContact O-CG 3.29Å; L181-R185 PolarHBondContact O-N 3.37Å; D182-R185 WeakPolarHBondContact O-CB 3.48Å; D182-R185 PolarHBondContact O-N 3.37Å; D182-R185 IonicContact OD1-CZ 3.81Å; D182-R185 IonicContact OD1-NH1 3.37Å; D182-R185 PolarHBondContact OD1-NH1 3.26Å; T183-R185 VanDerWaalsContact C-N 3.33Å; T183-R185 PolarHBondContact O-N 2.7Å; R185-A189 VanDerWaalsContact O-CB 3.3Å; R185-A189 WeakPolarHBondContact O-CB 3.48Å; R185-A189 PolarHBondContact O-N 3.18Å
186D82.3Confident80.2Confident65 Ų6547.3 Ų47.335%0.34825%0.249SC..Hα-helixtrans-66.7-39.8177.4-78.9-32000112.4D182 T183 I184 G190 R223D182-D186 PolarHBondContact O-N 2.86Å; D182-D186 VanDerWaalsContact O-N 3.08Å; T183-D186 WeakPolarHBondContact O-CB 3.38Å; T183-D186 PolarHBondContact O-N 2.89Å; T183-D186 VanDerWaalsContact O-N 3.15Å; I184-D186 VanDerWaalsContact C-N 3.26Å; I184-D186 PolarHBondContact O-N 3.09Å; D186-G190 PolarHBondContact O-N 3.43Å; D186-R223 PolarHBondContact O-NH2 3.48Å; D186-R223 IonicContact OD1-CZ 3.78Å; D186-R223 IonicContact OD1-NE 2.95Å; D186-R223 IonicContact OD1-NH2 3.85Å; D186-R223 PolarHBondContact OD1-NH2 3.36Å
187E81.6Confident80.1Confident106 Ų10652.8 Ų52.850%0.49528%0.275SS..Hα-helixtrans-68.1-44.9173.6-70.5-59.2142.700112T183 I184 A189 G190 C191T183-E187 PolarHBondContact O-N 3.45Å; I184-E187 PolarHBondContact O-N 2.96Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 3.34Å; E187-G190 CarbonylContact O-C 3.52Å; E187-G190 PolarHBondContact O-N 3.18Å; E187-G190 VanDerWaalsContact O-N 3.1Å; E187-C191 PolarHBondContact O-N 3.08Å; E187-C191 PolarHBondContact O-SG 3Å
188I81.6Confident79.8Confident7 Ų757.8 Ų57.84%0.03630%0.298CS..Hα-helixtrans-57.1-45.2174.4-69.2166.6000110Y158 I184 G190 C191 I192 V207 L208Y158-I188 HydrophobicContact CD1-CD1 3.73Å; Y158-I188 HydrophobicContact CD1-CG1 4.09Å; Y158-I188 HydrophobicContact CD2-CD1 3.76Å; Y158-I188 HydrophobicContact CD2-CG1 3.73Å; Y158-I188 HydrophobicContact CE1-CD1 4.01Å; Y158-I188 HydrophobicContact CE1-CG1 3.86Å; Y158-I188 HydrophobicContact CE2-CD1 4.04Å; Y158-I188 HydrophobicContact CE2-CG1 3.49Å; Y158-I188 VanDerWaalsContact CE2-CG1 3.49Å; Y158-I188 HydrophobicContact CG-CD1 3.58Å; Y158-I188 HydrophobicContact CG-CG1 4.01Å; I184-I188 HydrophobicContact CG2-CD1 3.61Å; I184-I188 HydrophobicContact CG2-CG1 4.17Å; I184-I188 WeakPolarHBondContact O-CB 3.38Å; I184-I188 WeakPolarHBondContact O-CG1 3.47Å; I184-I188 PolarHBondContact O-N 3.02Å; I188-G190 VanDerWaalsContact C-N 3.33Å; I188-G190 PolarHBondContact O-N 3.28Å; I188-C191 WeakPolarHBondContact O-CB 3.13Å; I188-C191 PolarHBondContact O-N 3.36Å; I188-I192 HydrophobicContact CG2-CD1 3.75Å; I188-I192 HydrophobicContact CG2-CG1 4.27Å; I188-I192 VanDerWaalsContact O-CG1 3.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.41Å; I188-I192 PolarHBondContact O-N 3.42Å; I188-V207 HydrophobicContact CG2-CG1 3.86Å; I188-L208 HydrophobicContact CB-CD2 4.22Å; I188-L208 HydrophobicContact CG2-CD2 3.77Å
189A79.8Confident79.7Confident6 Ų655.3 Ų55.35%0.0529%0.285CS..Hα-helixtrans-59.2-44.7176.400000111.4R185 E187 C191 I192 E193 W225R185-A189 VanDerWaalsContact O-CB 3.3Å; R185-A189 WeakPolarHBondContact O-CB 3.48Å; R185-A189 PolarHBondContact O-N 3.18Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 3.34Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 3.14Å; A189-I192 PolarHBondContact O-N 2.99Å; A189-E193 WeakPolarHBondContact O-CG 3.15Å; A189-E193 PolarHBondContact O-N 3.05Å; A189-W225 HydrophobicContact CB-CH2 4.48Å; A189-W225 HydrophobicContact CB-CZ2 4.08Å
190G80.6Confident79.5Confident18 Ų1857.1 Ų57.119%0.18629%0.292CS..Hα-helixtrans-62.7-34.5175.100000113.8D186 E187 I188 K194D186-G190 PolarHBondContact O-N 3.43Å; E187-G190 CarbonylContact O-C 3.52Å; E187-G190 PolarHBondContact O-N 3.18Å; E187-G190 VanDerWaalsContact O-N 3.1Å; I188-G190 VanDerWaalsContact C-N 3.33Å; I188-G190 PolarHBondContact O-N 3.28Å; G190-K194 WeakPolarHBondContact O-CG 3.4Å
191C81.3Confident79.1Confident69 Ų6959.3 Ų59.347%0.46630%0.301SS..Hα-helixtrans-69.4-41.7172.7-70.20000112.1E187 I188 A189 E193 K194 A195E187-C191 PolarHBondContact O-N 3.08Å; E187-C191 PolarHBondContact O-SG 3Å; I188-C191 WeakPolarHBondContact O-CB 3.13Å; I188-C191 PolarHBondContact O-N 3.36Å; A189-C191 VanDerWaalsContact C-N 3.32Å; A189-C191 PolarHBondContact O-N 3.14Å; C191-E193 VanDerWaalsContact C-N 3.34Å; C191-E193 PolarHBondContact O-N 3.28Å; C191-K194 PolarHBondContact O-N 2.94Å; C191-A195 VanDerWaalsContact O-CB 3.26Å; C191-A195 WeakPolarHBondContact O-CB 3.25Å; C191-A195 PolarHBondContact O-N 3.46Å
192I78.9Confident79Confident7 Ų762.2 Ų62.24%0.03632%0.322CS..Hα-helixtrans-62.1-43.7178.4-67.9166.5000110.4I188 A189 K194 A195 Y196 I199 V207 L208 F235I188-I192 HydrophobicContact CG2-CD1 3.75Å; I188-I192 HydrophobicContact CG2-CG1 4.27Å; I188-I192 VanDerWaalsContact O-CG1 3.26Å; I188-I192 WeakPolarHBondContact O-CG1 3.41Å; I188-I192 PolarHBondContact O-N 3.42Å; A189-I192 PolarHBondContact O-N 2.99Å; I192-K194 PolarHBondContact O-N 3.3Å; I192-K194 VanDerWaalsContact O-N 3.16Å; I192-A195 PolarHBondContact O-N 3.14Å; I192-Y196 HydrophobicContact CG2-CD2 4.04Å; I192-Y196 PolarHBondContact O-N 3.45Å; I192-I199 HydrophobicContact CG2-CD1 4.16Å; I192-V207 HydrophobicContact CD1-CB 4.44Å; I192-V207 HydrophobicContact CD1-CG1 3.76Å; I192-V207 HydrophobicContact CG1-CG1 4.41Å; I192-L208 HydrophobicContact CD1-CD2 4.43Å; I192-L208 HydrophobicContact CD1-CG 4.33Å; I192-F235 HydrophobicContact CG2-CD2 4.5Å; I192-F235 HydrophobicContact CG2-CE1 4.08Å; I192-F235 HydrophobicContact CG2-CE2 3.55Å; I192-F235 HydrophobicContact CG2-CZ 3.32Å
193E77.3Confident78.7Confident55 Ų5562.8 Ų62.826%0.25732%0.322SS..Hα-helixtrans-59.4-24.7177.3-74.4172.4-17400113.4A189 C191 W225 F235 T237A189-E193 WeakPolarHBondContact O-CG 3.15Å; A189-E193 PolarHBondContact O-N 3.05Å; C191-E193 VanDerWaalsContact C-N 3.34Å; C191-E193 PolarHBondContact O-N 3.28Å; E193-W225 HydrophobicContact CG-CZ2 4.39Å; E193-W225 PolarHBondContact OE1-NE1 3.39Å; E193-F235 HydrophobicContact CB-CD1 4.26Å; E193-F235 HydrophobicContact CG-CD1 3.63Å; E193-F235 HydrophobicContact CG-CE1 3.92Å; E193-T237 PolarHBondContact O-OG1 3.43Å
194K79.5Confident78.3Confident155 Ų15560.5 Ų60.567%0.67431%0.308SS*.Hα-helixtrans-95.1-31.7178.3-68.6175.5-176.4174.80112.9G190 C191 I192G190-K194 WeakPolarHBondContact O-CG 3.4Å; C191-K194 PolarHBondContact O-N 2.94Å; I192-K194 PolarHBondContact O-N 3.3Å; I192-K194 VanDerWaalsContact O-N 3.16Å
195A80.1Confident78Confident73 Ų7361.6 Ų61.660%0.60332%0.315SS*.Hα-helixtrans-88.7-30.4-171.500000113.3C191 I192C191-A195 VanDerWaalsContact O-CB 3.26Å; C191-A195 WeakPolarHBondContact O-CB 3.25Å; C191-A195 PolarHBondContact O-N 3.46Å; I192-A195 PolarHBondContact O-N 3.14Å
196Y75.3Confident77.8Confident126 Ų12668.3 Ų68.349%0.49434%0.341SS..  trans-122.7135.2-174.8-60.6-79.5000110.9I192 F235 T237I192-Y196 HydrophobicContact CG2-CD2 4.04Å; I192-Y196 PolarHBondContact O-N 3.45Å; Y196-F235 WeakPolarHBondContact O-CD2 3.28Å; Y196-T237 PolarHBondContact O-OG1 3.24Å
197E72.6Confident77.6Confident121 Ų12168 Ų6857%0.56534%0.341SS*.SBendtrans-78.7-34.8169-65.9-175.6154.300111.3T234 F235E197-T234 WeakPolarHBondContact O-CA 3.34Å; E197-F235 PolarHBondContact O-N 2.96Å
198Q73.3Confident77.2Confident112 Ų11263.2 Ų63.252%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-141.4138.3177.6-61.9-178.39.500110.5Y233 T234Q198-Y233 CarbonylContact C-O 3.59Å; Q198-Y233 VanDerWaalsContact CA-O 3.27Å; Q198-Y233 WeakPolarHBondContact CA-O 3.44Å; Q198-T234 HydrophobicContact CG-CG2 4.1Å
199I77.4Confident76.7Confident13 Ų1366.2 Ų66.27%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-132.8141.7173.1-163.7162.6000111I192 E203 A204 Y232 Y233 F235I192-I199 HydrophobicContact CG2-CD1 4.16Å; I199-E203 HydrophobicContact CD1-CB 4.49Å; I199-E203 HydrophobicContact CG1-CB 4.18Å; I199-A204 HydrophobicContact CD1-CB 3.89Å; I199-A204 HydrophobicContact CG1-CB 4.06Å; I199-A204 HydrophobicContact CG2-CB 3.84Å; I199-Y232 CarbonylContact O-C 3.57Å; I199-Y232 VanDerWaalsContact O-CA 3.32Å; I199-Y232 WeakPolarHBondContact O-CA 3.41Å; I199-Y233 HydrophobicContact CG2-CD2 4.46Å; I199-Y233 PolarHBondContact N-O 3.27Å; I199-Y233 PolarHBondContact O-N 3.13Å; I199-F235 HydrophobicContact CB-CE2 3.85Å; I199-F235 HydrophobicContact CB-CZ 4.47Å; I199-F235 HydrophobicContact CG2-CE2 3.29Å; I199-F235 HydrophobicContact CG2-CZ 3.5Å
200Q79.2Confident76.3Confident90 Ų9066.8 Ų66.842%0.42133%0.333SS..EExtended strand (participates in β ladder)trans-74.2146.5174.6-164.4-179.2-2.200111.2S202 E203 A204 Y232Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.85Å; Q200-E203 HydrophobicContact CB-CG 4.49Å; Q200-E203 PolarHBondContact O-N 2.9Å; Q200-A204 PolarHBondContact O-N 2.6Å; Q200-Y232 HydrophobicContact CB-CD1 4.04Å; Q200-Y232 HydrophobicContact CB-CE1 3.81Å; Q200-Y232 HydrophobicContact CG-CD1 4.48Å; Q200-Y232 HydrophobicContact CG-CE1 4.11Å
201F73.4Confident75.8Confident55 Ų5574.2 Ų74.224%0.24137%0.368CS..Hα-helixtrans-52.4-39.4175.2-175.4-91000113.6T205 P213 M216 G231 Y233F201-T205 WeakPolarHBondContact O-CB 3.33Å; F201-T205 PolarHBondContact O-N 3.47Å; F201-T205 PolarHBondContact O-OG1 3.04Å; F201-P213 HydrophobicContact CE1-CB 4.02Å; F201-P213 HydrophobicContact CZ-CB 3.69Å; F201-M216 HydrophobicContact CD1-SD 4.27Å; F201-M216 HydrophobicContact CD2-CE 4.31Å; F201-M216 HydrophobicContact CD2-SD 3.43Å; F201-M216 WeakPolarHBondContact CD2-SD 3.22Å; F201-M216 HydrophobicContact CE1-SD 4.07Å; F201-M216 HydrophobicContact CE2-CB 4.33Å; F201-M216 HydrophobicContact CE2-CG 4.14Å; F201-M216 HydrophobicContact CE2-SD 3.19Å; F201-M216 WeakPolarHBondContact CE2-SD 3.28Å; F201-M216 HydrophobicContact CG-SD 3.97Å; F201-M216 HydrophobicContact CZ-CB 4.44Å; F201-M216 HydrophobicContact CZ-SD 3.54Å; F201-M216 VanDerWaalsContact CZ-SD 3.54Å; F201-M216 WeakPolarHBondContact O-CE 3.25Å; F201-G231 WeakPolarHBondContact CB-O 3.35Å; F201-G231 PolarHBondContact N-O 2.81Å; F201-Y233 AromaticContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CE2-CE2 4.49Å
202S76.7Confident75.3Confident64 Ų6472.9 Ų72.945%0.44836%0.36SS..Hα-helixtrans-62.5-49.8177.5175.70000112.2Q200 T205 R206Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.85Å; S202-T205 WeakPolarHBondContact O-CB 3.28Å; S202-T205 PolarHBondContact O-N 3.05Å; S202-R206 PolarHBondContact O-N 3.31Å; S202-R206 VanDerWaalsContact O-N 3.1Å
203E76.8Confident74.9Confident82 Ų8276.1 Ų76.138%0.38338%0.382SS..Hα-helixtrans-69.6-41.4-176.3-64.2-50.7113.800111.6I199 Q200 T205 R206 V207I199-E203 HydrophobicContact CD1-CB 4.49Å; I199-E203 HydrophobicContact CG1-CB 4.18Å; Q200-E203 HydrophobicContact CB-CG 4.49Å; Q200-E203 PolarHBondContact O-N 2.9Å; E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.45Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 2.92Å; E203-R206 VanDerWaalsContact O-N 3.15Å; E203-V207 VanDerWaalsContact O-CG2 3.28Å; E203-V207 WeakPolarHBondContact O-CG2 3.2Å; E203-V207 PolarHBondContact O-N 2.91Å
204A73.3Confident74.7Confident0 Ų081.2 Ų81.20%040%0.403CS..Hα-helixtrans-65.6-31.617500000112.3I199 Q200 R206 L208 M216I199-A204 HydrophobicContact CD1-CB 3.89Å; I199-A204 HydrophobicContact CG1-CB 4.06Å; I199-A204 HydrophobicContact CG2-CB 3.84Å; Q200-A204 PolarHBondContact O-N 2.6Å; A204-R206 VanDerWaalsContact C-N 3.32Å; A204-L208 WeakPolarHBondContact O-CB 3.43Å; A204-L208 PolarHBondContact O-N 3.45Å; A204-L208 VanDerWaalsContact O-N 3.1Å; A204-M216 HydrophobicContact CB-CE 3.13Å
205T75.9Confident74.4Confident29 Ų2979.9 Ų79.918%0.17840%0.397CS..Hα-helixtrans-64.5-41.3173.9-58.60000110.5F201 S202 E203 F209 F210 M216F201-T205 WeakPolarHBondContact O-CB 3.33Å; F201-T205 PolarHBondContact O-N 3.47Å; F201-T205 PolarHBondContact O-OG1 3.04Å; S202-T205 WeakPolarHBondContact O-CB 3.28Å; S202-T205 PolarHBondContact O-N 3.05Å; E203-T205 VanDerWaalsContact C-N 3.28Å; E203-T205 PolarHBondContact O-N 3.45Å; T205-F209 PolarHBondContact O-N 2.75Å; T205-F209 VanDerWaalsContact O-N 3.12Å; T205-F210 HydrophobicContact CG2-CB 4.21Å; T205-F210 WeakPolarHBondContact CG2-O 3.47Å; T205-F210 PolarHBondContact O-N 2.85Å; T205-F210 VanDerWaalsContact O-N 3.13Å; T205-M216 PolarHBondContact OG1-SD 2.86Å
206R77.4Confident73.9Confident182 Ų18276.4 Ų76.469%0.68737%0.369SS*.Hα-helixtrans-69.4-43.9-179.8-170.4177.8-179.3-177.10.2112.1S202 E203 A204 F209S202-R206 PolarHBondContact O-N 3.31Å; S202-R206 VanDerWaalsContact O-N 3.1Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 2.92Å; E203-R206 VanDerWaalsContact O-N 3.15Å; A204-R206 VanDerWaalsContact C-N 3.32Å; R206-F209 PolarHBondContact O-N 2.7Å
207V76.7Confident73.8Confident58 Ų5872.7 Ų72.735%0.35236%0.359SS..Hα-helixtrans-67.7-38.3-179.4176.10000111.8I188 I192 E203 F209I188-V207 HydrophobicContact CG2-CG1 3.86Å; I192-V207 HydrophobicContact CD1-CB 4.44Å; I192-V207 HydrophobicContact CD1-CG1 3.76Å; I192-V207 HydrophobicContact CG1-CG1 4.41Å; E203-V207 VanDerWaalsContact O-CG2 3.28Å; E203-V207 WeakPolarHBondContact O-CG2 3.2Å; E203-V207 PolarHBondContact O-N 2.91Å; V207-F209 VanDerWaalsContact C-N 3.3Å; V207-F209 VanDerWaalsContact O-CD2 3.3Å; V207-F209 WeakPolarHBondContact O-CD2 3.06Å
208L74.1Confident74.2Confident6 Ų671.4 Ų71.43%0.03136%0.356CS..THydrogen-bonded Turntrans-87-0.1178.3-67.6163.1000113.5I188 I192 A204 F210 W225I188-L208 HydrophobicContact CB-CD2 4.22Å; I188-L208 HydrophobicContact CG2-CD2 3.77Å; I192-L208 HydrophobicContact CD1-CD2 4.43Å; I192-L208 HydrophobicContact CD1-CG 4.33Å; A204-L208 WeakPolarHBondContact O-CB 3.43Å; A204-L208 PolarHBondContact O-N 3.45Å; A204-L208 VanDerWaalsContact O-N 3.1Å; L208-F210 VanDerWaalsContact C-N 3.29Å; L208-F210 HydrophobicContact CB-CD2 3.57Å; L208-F210 HydrophobicContact CB-CE2 3.43Å; L208-F210 VanDerWaalsContact CB-CE2 3.43Å; L208-F210 HydrophobicContact CB-CZ 4.25Å; L208-F210 HydrophobicContact CD1-CD2 4.36Å; L208-F210 HydrophobicContact CD1-CE2 3.76Å; L208-F210 HydrophobicContact CG-CE2 4.14Å; L208-F210 PolarHBondContact O-N 3.39Å; L208-W225 HydrophobicContact CD1-CH2 4.02Å; L208-W225 HydrophobicContact CD1-CZ3 4.34Å
209F71.1Confident74.2Confident69 Ų6968.9 Ų68.930%0.30334%0.342SS..THydrogen-bonded Turntrans50.844.5-179.7-66.7-86.1000113.3N159 F162 T205 R206 V207N159-F209 VanDerWaalsContact OD1-CZ 3.27Å; N159-F209 WeakPolarHBondContact OD1-CZ 3.5Å; F162-F209 HydrophobicContact CD1-CB 4.41Å; F162-F209 HydrophobicContact CD1-CG 4.44Å; F162-F209 HydrophobicContact CD2-CB 4.46Å; F162-F209 HydrophobicContact CD2-CD1 4.47Å; F162-F209 AromaticContact CD2-CD2 3.47Å; F162-F209 HydrophobicContact CD2-CD2 3.47Å; F162-F209 VanDerWaalsContact CD2-CD2 3.47Å; F162-F209 AromaticContact CD2-CE2 3.71Å; F162-F209 HydrophobicContact CD2-CE2 3.71Å; F162-F209 AromaticContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CG 3.88Å; F162-F209 HydrophobicContact CD2-CZ 4.32Å; F162-F209 HydrophobicContact CE1-CB 3.95Å; F162-F209 HydrophobicContact CE1-CG 4.35Å; F162-F209 HydrophobicContact CE2-CB 4.03Å; F162-F209 AromaticContact CE2-CD2 3.28Å; F162-F209 HydrophobicContact CE2-CD2 3.28Å; F162-F209 AromaticContact CE2-CE2 3.91Å; F162-F209 HydrophobicContact CE2-CE2 3.91Å; F162-F209 AromaticContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CE2-CG 3.8Å; F162-F209 HydrophobicContact CG-CD2 4.25Å; F162-F209 HydrophobicContact CG-CG 4.23Å; F162-F209 HydrophobicContact CZ-CB 3.75Å; F162-F209 AromaticContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CD2 3.91Å; F162-F209 HydrophobicContact CZ-CG 4.04Å; T205-F209 PolarHBondContact O-N 2.75Å; T205-F209 VanDerWaalsContact O-N 3.12Å; R206-F209 PolarHBondContact O-N 2.7Å; V207-F209 VanDerWaalsContact C-N 3.3Å; V207-F209 VanDerWaalsContact O-CD2 3.3Å; V207-F209 WeakPolarHBondContact O-CD2 3.06Å
210F71.9Confident74Confident19 Ų1968.4 Ų68.48%0.08334%0.34CS..  trans-82123.4174.5-73.4-59.4000111.2T205 L208 S212 K215 M216 Y219T205-F210 HydrophobicContact CG2-CB 4.21Å; T205-F210 WeakPolarHBondContact CG2-O 3.47Å; T205-F210 PolarHBondContact O-N 2.85Å; T205-F210 VanDerWaalsContact O-N 3.13Å; L208-F210 VanDerWaalsContact C-N 3.29Å; L208-F210 HydrophobicContact CB-CD2 3.57Å; L208-F210 HydrophobicContact CB-CE2 3.43Å; L208-F210 VanDerWaalsContact CB-CE2 3.43Å; L208-F210 HydrophobicContact CB-CZ 4.25Å; L208-F210 HydrophobicContact CD1-CD2 4.36Å; L208-F210 HydrophobicContact CD1-CE2 3.76Å; L208-F210 HydrophobicContact CG-CE2 4.14Å; L208-F210 PolarHBondContact O-N 3.39Å; F210-S212 PolarHBondContact O-N 2.95Å; F210-K215 HydrophobicContact CD1-CB 3.95Å; F210-K215 HydrophobicContact CE1-CB 4.24Å; F210-M216 HydrophobicContact CD2-CB 4.04Å; F210-M216 HydrophobicContact CD2-CG 4.22Å; F210-Y219 AromaticContact CE1-CD2 3.45Å; F210-Y219 HydrophobicContact CE1-CD2 3.45Å; F210-Y219 VanDerWaalsContact CE1-CD2 3.45Å; F210-Y219 AromaticContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CE2 3.4Å; F210-Y219 VanDerWaalsContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CG 4.36Å; F210-Y219 HydrophobicContact CE2-CD2 4.08Å; F210-Y219 HydrophobicContact CE2-CG 4.32Å; F210-Y219 HydrophobicContact CZ-CD1 4.3Å; F210-Y219 AromaticContact CZ-CD2 3.15Å; F210-Y219 HydrophobicContact CZ-CD2 3.15Å; F210-Y219 AromaticContact CZ-CE2 3.49Å; F210-Y219 HydrophobicContact CZ-CE2 3.49Å; F210-Y219 VanDerWaalsContact CZ-CE2 3.49Å; F210-Y219 AromaticContact CZ-CG 3.63Å; F210-Y219 HydrophobicContact CZ-CG 3.63Å
211N68.9Low73.9Confident173 Ų17371.5 Ų71.593%0.92535%0.352SS*.SBendtrans-76-11.3171.8-66.7-6.2000113.2
212S72Confident74.2Confident42 Ų4276.8 Ų76.829%0.29438%0.375SS..  trans-136.9128.9-176.9-173.10000111.8F210 K214 K215F210-S212 PolarHBondContact O-N 2.95Å; S212-K214 PolarHBondContact O-N 2.93Å; S212-K215 PolarHBondContact O-N 3.38Å
213P69.6Low74Confident75 Ų7578.2 Ų78.249%0.48737%0.371SS..Hα-helixtrans-64.8-23.6179.226.1-34.3000112.8F201 M216 T217F201-P213 HydrophobicContact CE1-CB 4.02Å; F201-P213 HydrophobicContact CZ-CB 3.69Å; P213-M216 WeakPolarHBondContact O-CB 3.39Å; P213-M216 PolarHBondContact O-N 2.86Å; P213-T217 PolarHBondContact O-N 3.17Å; P213-T217 PolarHBondContact O-OG1 3.33Å; P213-T217 VanDerWaalsContact O-OG1 3.13Å
214K73.1Confident73.6Confident161 Ų16177 Ų7770%0.738%0.381SS*.Hα-helixtrans-66.2-41.2177.6-65.9-174.9178.6-178.80112.5S212 M216 T217 D218S212-K214 PolarHBondContact O-N 2.93Å; K214-M216 VanDerWaalsContact C-N 3.27Å; K214-M216 PolarHBondContact O-N 3.43Å; K214-T217 PolarHBondContact O-N 3.47Å; K214-D218 PolarHBondContact O-N 3.37Å; K214-D218 VanDerWaalsContact O-N 3.15Å
215K73.7Confident73.7Confident127 Ų12778.4 Ų78.455%0.55239%0.386SS*.Hα-helixtrans-62.8-40.3177.2-70.7-172.8177.6-1750110.3F210 S212 T217 D218 Y219F210-K215 HydrophobicContact CD1-CB 3.95Å; F210-K215 HydrophobicContact CE1-CB 4.24Å; S212-K215 PolarHBondContact O-N 3.38Å; K215-T217 VanDerWaalsContact C-N 3.34Å; K215-T217 PolarHBondContact O-N 2.82Å; K215-D218 PolarHBondContact O-N 2.87Å; K215-Y219 HydrophobicContact CB-CD2 4.5Å; K215-Y219 WeakPolarHBondContact O-CD2 3.31Å; K215-Y219 PolarHBondContact O-N 3.06Å
216M70.4Confident73.3Confident1 Ų180.4 Ų80.41%0.00540%0.398CS..Hα-helixtrans-61.1-41.9177.5-168.7-169.7-157.500112.3F201 A204 T205 F210 P213 K214 D218 Y219 A220 Y233F201-M216 HydrophobicContact CD1-SD 4.27Å; F201-M216 HydrophobicContact CD2-CE 4.31Å; F201-M216 HydrophobicContact CD2-SD 3.43Å; F201-M216 WeakPolarHBondContact CD2-SD 3.22Å; F201-M216 HydrophobicContact CE1-SD 4.07Å; F201-M216 HydrophobicContact CE2-CB 4.33Å; F201-M216 HydrophobicContact CE2-CG 4.14Å; F201-M216 HydrophobicContact CE2-SD 3.19Å; F201-M216 WeakPolarHBondContact CE2-SD 3.28Å; F201-M216 HydrophobicContact CG-SD 3.97Å; F201-M216 HydrophobicContact CZ-CB 4.44Å; F201-M216 HydrophobicContact CZ-SD 3.54Å; F201-M216 VanDerWaalsContact CZ-SD 3.54Å; F201-M216 WeakPolarHBondContact O-CE 3.25Å; A204-M216 HydrophobicContact CB-CE 3.13Å; T205-M216 PolarHBondContact OG1-SD 2.86Å; F210-M216 HydrophobicContact CD2-CB 4.04Å; F210-M216 HydrophobicContact CD2-CG 4.22Å; P213-M216 WeakPolarHBondContact O-CB 3.39Å; P213-M216 PolarHBondContact O-N 2.86Å; K214-M216 VanDerWaalsContact C-N 3.27Å; K214-M216 PolarHBondContact O-N 3.43Å; M216-D218 VanDerWaalsContact C-N 3.34Å; M216-D218 PolarHBondContact O-N 2.9Å; M216-Y219 PolarHBondContact O-N 2.9Å; M216-A220 VanDerWaalsContact O-CB 3.32Å; M216-A220 WeakPolarHBondContact O-CB 2.95Å; M216-A220 PolarHBondContact O-N 3.1Å; M216-Y233 HydrophobicContact CE-CE2 3.95Å; M216-Y233 HydrophobicContact SD-CE2 4.32Å
217T73Confident72.8Confident47 Ų4777.1 Ų77.129%0.28839%0.391SS..Hα-helixtrans-63.8-39.4176-44.90000112P213 K214 K215 K221P213-T217 PolarHBondContact O-N 3.17Å; P213-T217 PolarHBondContact O-OG1 3.33Å; P213-T217 VanDerWaalsContact O-OG1 3.13Å; K214-T217 PolarHBondContact O-N 3.47Å; K215-T217 VanDerWaalsContact C-N 3.34Å; K215-T217 PolarHBondContact O-N 2.82Å; T217-K221 WeakPolarHBondContact O-CG 3.49Å; T217-K221 PolarHBondContact O-N 3.1Å
218D79.5Confident72.3Confident95 Ų9577.9 Ų77.951%0.50839%0.393SS..Hα-helixtrans-67.6-39.3175.6-69.8-20.8000112.1K214 K215 M216 K221 K222K214-D218 PolarHBondContact O-N 3.37Å; K214-D218 VanDerWaalsContact O-N 3.15Å; K215-D218 PolarHBondContact O-N 2.87Å; M216-D218 VanDerWaalsContact C-N 3.34Å; M216-D218 PolarHBondContact O-N 2.9Å; D218-K221 PolarHBondContact O-N 2.82Å; D218-K222 WeakPolarHBondContact O-CG 3.29Å; D218-K222 PolarHBondContact O-N 2.95Å
219Y74.3Confident71.5Confident58 Ų5889.9 Ų89.923%0.22744%0.438CS..Hα-helixtrans-66.6-42.5175-88.9-78000112.1F210 K215 M216 K221 K222 R223F210-Y219 AromaticContact CE1-CD2 3.45Å; F210-Y219 HydrophobicContact CE1-CD2 3.45Å; F210-Y219 VanDerWaalsContact CE1-CD2 3.45Å; F210-Y219 AromaticContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CE2 3.4Å; F210-Y219 VanDerWaalsContact CE1-CE2 3.4Å; F210-Y219 HydrophobicContact CE1-CG 4.36Å; F210-Y219 HydrophobicContact CE2-CD2 4.08Å; F210-Y219 HydrophobicContact CE2-CG 4.32Å; F210-Y219 HydrophobicContact CZ-CD1 4.3Å; F210-Y219 AromaticContact CZ-CD2 3.15Å; F210-Y219 HydrophobicContact CZ-CD2 3.15Å; F210-Y219 AromaticContact CZ-CE2 3.49Å; F210-Y219 HydrophobicContact CZ-CE2 3.49Å; F210-Y219 VanDerWaalsContact CZ-CE2 3.49Å; F210-Y219 AromaticContact CZ-CG 3.63Å; F210-Y219 HydrophobicContact CZ-CG 3.63Å; K215-Y219 HydrophobicContact CB-CD2 4.5Å; K215-Y219 WeakPolarHBondContact O-CD2 3.31Å; K215-Y219 PolarHBondContact O-N 3.06Å; M216-Y219 PolarHBondContact O-N 2.9Å; Y219-K221 VanDerWaalsContact C-N 3.3Å; Y219-K221 PolarHBondContact O-N 3.46Å; Y219-K222 PolarHBondContact O-N 3.45Å; Y219-R223 PolarHBondContact O-N 3.33Å
220A74Confident71.1Confident4 Ų493 Ų933%0.03346%0.458CS..Hα-helixtrans-61-39.6174.800000111.6M216 R223 G224 W225 Y233M216-A220 VanDerWaalsContact O-CB 3.32Å; M216-A220 WeakPolarHBondContact O-CB 2.95Å; M216-A220 PolarHBondContact O-N 3.1Å; A220-R223 PolarHBondContact O-N 3.47Å; A220-G224 PolarHBondContact O-N 3.21Å; A220-W225 HydrophobicContact CB-CB 4.27Å; A220-W225 HydrophobicContact CB-CE3 4.11Å; A220-W225 PolarHBondContact O-N 2.79Å; A220-Y233 HydrophobicContact CB-CD1 4.43Å; A220-Y233 HydrophobicContact CB-CE1 3.64Å
221K76.9Confident70.8Confident154 Ų15493 Ų9367%0.6746%0.463SS*.Hα-helixtrans-65.2-43.4173.6-76.1176.4-179.4178.30112.7T217 D218 Y219 R223 G224T217-K221 WeakPolarHBondContact O-CG 3.49Å; T217-K221 PolarHBondContact O-N 3.1Å; D218-K221 PolarHBondContact O-N 2.82Å; Y219-K221 VanDerWaalsContact C-N 3.3Å; Y219-K221 PolarHBondContact O-N 3.46Å; K221-R223 PolarHBondContact O-N 2.99Å; K221-G224 PolarHBondContact O-N 3.49Å
222K79.1Confident70.8Confident167 Ų16789.3 Ų89.373%0.72644%0.437SS*.Hα-helixtrans-60.3-35.4177.2-78.4-178.7177.4-175.40112.6D218 Y219D218-K222 WeakPolarHBondContact O-CG 3.29Å; D218-K222 PolarHBondContact O-N 2.95Å; Y219-K222 PolarHBondContact O-N 3.45Å
223R71.6Confident70.6Confident93 Ų9387.4 Ų87.435%0.35142%0.423SS..Hα-helixtrans-92.5-5.8-179.5-65.3-73-178.2159.1-1.9114D186 Y219 A220 K221 W225D186-R223 PolarHBondContact O-NH2 3.48Å; D186-R223 IonicContact OD1-CZ 3.78Å; D186-R223 IonicContact OD1-NE 2.95Å; D186-R223 IonicContact OD1-NH2 3.85Å; D186-R223 PolarHBondContact OD1-NH2 3.36Å; Y219-R223 PolarHBondContact O-N 3.33Å; A220-R223 PolarHBondContact O-N 3.47Å; K221-R223 PolarHBondContact O-N 2.99Å; R223-W225 HydrophobicContact CB-CD2 4.38Å; R223-W225 HydrophobicContact CB-CG 4.28Å; R223-W225 HydrophobicContact CB-CZ2 4.43Å; R223-W225 VanDerWaalsContact CB-NE1 3.26Å
224G68.8Low70.3Confident58 Ų5885.4 Ų85.460%0.59841%0.409SS*.THydrogen-bonded Turntrans7325.1178.100000114.7A220 K221 T226A220-G224 PolarHBondContact O-N 3.21Å; K221-G224 PolarHBondContact O-N 3.49Å; G224-T226 PolarHBondContact O-N 2.75Å
225W76.1Confident70Confident28 Ų2878.3 Ų78.311%0.10638%0.379CS..  trans-69.8130.8179.9-58.8-9.6000110.9A189 E193 L208 A220 R223 Y233 F235A189-W225 HydrophobicContact CB-CH2 4.48Å; A189-W225 HydrophobicContact CB-CZ2 4.08Å; E193-W225 HydrophobicContact CG-CZ2 4.39Å; E193-W225 PolarHBondContact OE1-NE1 3.39Å; L208-W225 HydrophobicContact CD1-CH2 4.02Å; L208-W225 HydrophobicContact CD1-CZ3 4.34Å; A220-W225 HydrophobicContact CB-CB 4.27Å; A220-W225 HydrophobicContact CB-CE3 4.11Å; A220-W225 PolarHBondContact O-N 2.79Å; R223-W225 HydrophobicContact CB-CD2 4.38Å; R223-W225 HydrophobicContact CB-CG 4.28Å; R223-W225 HydrophobicContact CB-CZ2 4.43Å; R223-W225 VanDerWaalsContact CB-NE1 3.26Å; W225-Y233 HydrophobicContact CB-CD1 3.73Å; W225-Y233 HydrophobicContact CB-CE1 4.36Å; W225-Y233 HydrophobicContact CB-CG 4.3Å; W225-Y233 HydrophobicContact CE3-CD1 4.33Å; W225-Y233 HydrophobicContact CE3-CD2 4.16Å; W225-Y233 HydrophobicContact CE3-CG 4.04Å; W225-F235 AromaticContact CD1-CD1 3.97Å; W225-F235 AromaticContact CD1-CE1 3.86Å; W225-F235 HydrophobicContact CD2-CD1 4.31Å; W225-F235 AromaticContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CE1 3.48Å; W225-F235 VanDerWaalsContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CZ 4.19Å; W225-F235 AromaticContact CE2-CE1 3.33Å; W225-F235 AromaticContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CZ 4.15Å; W225-F235 HydrophobicContact CG-CD1 4.27Å; W225-F235 AromaticContact CG-CE1 3.87Å; W225-F235 HydrophobicContact CG-CE1 3.87Å; W225-F235 AromaticContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CZ 4.16Å; W225-F235 AromaticContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CZ 4.23Å; W225-F235 HydrophobicContact CZ3-CE1 4.15Å; W225-F235 HydrophobicContact CZ3-CZ 4.14Å; W225-F235 AromaticContact NE1-CD1 3.88Å; W225-F235 AromaticContact NE1-CE1 3.55Å
226T67.6Low69.2Low72 Ų7278.6 Ų78.644%0.44239%0.391SS..EExtended strand (participates in β ladder)trans-84.1119.2178.3550000109.7G224 Y233 T234G224-T226 PolarHBondContact O-N 2.75Å; T226-Y233 WeakPolarHBondContact O-CA 3.47Å; T226-T234 PolarHBondContact O-N 3.45Å; T226-T234 PolarHBondContact OG1-O 2.86Å
227Q66.3Low68.3Low112 Ų11280.2 Ų80.252%0.52340%0.401SS..EExtended strand (participates in β ladder)trans-87.5114.4176-169.2174.612.100109.2Y233Q227-Y233 HydrophobicContact CB-CD1 4.14Å; Q227-Y233 HydrophobicContact CB-CE1 3.81Å; Q227-Y233 HydrophobicContact CG-CE1 4.06Å
228N65.8Low67.2Low74 Ų7483.1 Ų83.140%0.39641%0.412SS..  trans-74154.7168.9-81.6-20.1000110.6D230 G231 Y232 T234N228-D230 PolarHBondContact O-N 3.32Å; N228-G231 PolarHBondContact O-N 3.25Å; N228-Y232 PolarHBondContact N-O 3.41Å; N228-T234 PolarHBondContact ND2-OG1 3.37Å
229R58.7Low65.6Low258 Ų25885.6 Ų85.697%0.97442%0.42SS*.THydrogen-bonded Turntrans-58.3-20.3-179.5-74.1-178.7176.1179.5-0.9113.5G231R229-G231 VanDerWaalsContact C-N 3.35Å
230D61.7Low64.3Low136 Ų13691 Ų9173%0.72745%0.447SS*.THydrogen-bonded Turntrans-87.56.7176.7-63.3-66.2000114.6N228 Y232N228-D230 PolarHBondContact O-N 3.32Å; D230-Y232 HydrophobicContact CB-CD2 3.87Å; D230-Y232 HydrophobicContact CB-CE2 4.18Å
231G65.4Low62.9Low19 Ų1999.4 Ų99.420%0.19648%0.478CS..SBendtrans79.518176.500000114.7F201 N228 R229F201-G231 WeakPolarHBondContact CB-O 3.35Å; F201-G231 PolarHBondContact N-O 2.81Å; N228-G231 PolarHBondContact O-N 3.25Å; R229-G231 VanDerWaalsContact C-N 3.35Å
232Y69.3Low61.4Low95 Ų95100.5 Ų100.537%0.37349%0.488SS..EExtended strand (participates in β ladder)trans-97.3133.5170.4-65.2-87.2000110.5I199 Q200 N228 D230I199-Y232 CarbonylContact O-C 3.57Å; I199-Y232 VanDerWaalsContact O-CA 3.32Å; I199-Y232 WeakPolarHBondContact O-CA 3.41Å; Q200-Y232 HydrophobicContact CB-CD1 4.04Å; Q200-Y232 HydrophobicContact CB-CE1 3.81Å; Q200-Y232 HydrophobicContact CG-CD1 4.48Å; Q200-Y232 HydrophobicContact CG-CE1 4.11Å; N228-Y232 PolarHBondContact N-O 3.41Å; D230-Y232 HydrophobicContact CB-CD2 3.87Å; D230-Y232 HydrophobicContact CB-CE2 4.18Å
233Y67.5Low59.9Low2 Ų2100.9 Ų100.91%0.00849%0.492CS..EExtended strand (participates in β ladder)trans-84.2123.6163.9-69.9-66.4000108.2Q198 I199 F201 M216 A220 W225 T226 Q227Q198-Y233 CarbonylContact C-O 3.59Å; Q198-Y233 VanDerWaalsContact CA-O 3.27Å; Q198-Y233 WeakPolarHBondContact CA-O 3.44Å; I199-Y233 HydrophobicContact CG2-CD2 4.46Å; I199-Y233 PolarHBondContact N-O 3.27Å; I199-Y233 PolarHBondContact O-N 3.13Å; F201-Y233 AromaticContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CD2-CE2 3.75Å; F201-Y233 HydrophobicContact CE2-CE2 4.49Å; M216-Y233 HydrophobicContact CE-CE2 3.95Å; M216-Y233 HydrophobicContact SD-CE2 4.32Å; A220-Y233 HydrophobicContact CB-CD1 4.43Å; A220-Y233 HydrophobicContact CB-CE1 3.64Å; W225-Y233 HydrophobicContact CB-CD1 3.73Å; W225-Y233 HydrophobicContact CB-CE1 4.36Å; W225-Y233 HydrophobicContact CB-CG 4.3Å; W225-Y233 HydrophobicContact CE3-CD1 4.33Å; W225-Y233 HydrophobicContact CE3-CD2 4.16Å; W225-Y233 HydrophobicContact CE3-CG 4.04Å; T226-Y233 WeakPolarHBondContact O-CA 3.47Å; Q227-Y233 HydrophobicContact CB-CD1 4.14Å; Q227-Y233 HydrophobicContact CB-CE1 3.81Å; Q227-Y233 HydrophobicContact CG-CE1 4.06Å
234T63.8Low58.7Low32 Ų32104.3 Ų104.320%0.19651%0.512CS..EExtended strand (participates in β ladder)trans-94.2123.7170.6-49.30000107.6E197 Q198 T226 N228E197-T234 WeakPolarHBondContact O-CA 3.34Å; Q198-T234 HydrophobicContact CG-CG2 4.1Å; T226-T234 PolarHBondContact O-N 3.45Å; T226-T234 PolarHBondContact OG1-O 2.86Å; N228-T234 PolarHBondContact ND2-OG1 3.37Å
235F66.3Low58Low12 Ų12106.6 Ų106.65%0.05351%0.514CS..PPolyproline II helixtrans-87.9122.7169.2-56.9-76.7000106.4I192 E193 Y196 E197 I199 W225 T237I192-F235 HydrophobicContact CG2-CD2 4.5Å; I192-F235 HydrophobicContact CG2-CE1 4.08Å; I192-F235 HydrophobicContact CG2-CE2 3.55Å; I192-F235 HydrophobicContact CG2-CZ 3.32Å; E193-F235 HydrophobicContact CB-CD1 4.26Å; E193-F235 HydrophobicContact CG-CD1 3.63Å; E193-F235 HydrophobicContact CG-CE1 3.92Å; Y196-F235 WeakPolarHBondContact O-CD2 3.28Å; E197-F235 PolarHBondContact O-N 2.96Å; I199-F235 HydrophobicContact CB-CE2 3.85Å; I199-F235 HydrophobicContact CB-CZ 4.47Å; I199-F235 HydrophobicContact CG2-CE2 3.29Å; I199-F235 HydrophobicContact CG2-CZ 3.5Å; W225-F235 AromaticContact CD1-CD1 3.97Å; W225-F235 AromaticContact CD1-CE1 3.86Å; W225-F235 HydrophobicContact CD2-CD1 4.31Å; W225-F235 AromaticContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CE1 3.48Å; W225-F235 VanDerWaalsContact CD2-CE1 3.48Å; W225-F235 HydrophobicContact CD2-CZ 4.19Å; W225-F235 AromaticContact CE2-CE1 3.33Å; W225-F235 AromaticContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CE1 3.91Å; W225-F235 HydrophobicContact CE3-CZ 4.15Å; W225-F235 HydrophobicContact CG-CD1 4.27Å; W225-F235 AromaticContact CG-CE1 3.87Å; W225-F235 HydrophobicContact CG-CE1 3.87Å; W225-F235 AromaticContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CE1 4Å; W225-F235 HydrophobicContact CH2-CZ 4.16Å; W225-F235 AromaticContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CE1 3.61Å; W225-F235 HydrophobicContact CZ2-CZ 4.23Å; W225-F235 HydrophobicContact CZ3-CE1 4.15Å; W225-F235 HydrophobicContact CZ3-CZ 4.14Å; W225-F235 AromaticContact NE1-CD1 3.88Å; W225-F235 AromaticContact NE1-CE1 3.55Å; F235-T237 PolarHBondContact O-N 3.07Å
236T57.1Low57.2Low133 Ų133110.7 Ų110.782%0.81654%0.543SS*.  trans-73.764.8167.6-47.10000107.6Q238T236-Q238 VanDerWaalsContact C-N 3.31Å; T236-Q238 PolarHBondContact O-N 2.66Å
237T52.6Low57.1Low35 Ų35113.3 Ų113.322%0.21555%0.553CS.*  trans-64.598.7170.6-53.30000105.8E193 Y196 F235 Q239E193-T237 PolarHBondContact O-OG1 3.43Å; Y196-T237 PolarHBondContact O-OG1 3.24Å; F235-T237 PolarHBondContact O-N 3.07Å; T237-Q239 PolarHBondContact O-N 2.89Å
238Q49.8Very low57.4Low109 Ų109110.6 Ų110.651%0.50955%0.545SS..  trans4024.6133.5-61.2-174.1-8.800119.1T236 Q240 R241T236-Q238 VanDerWaalsContact C-N 3.31Å; T236-Q238 PolarHBondContact O-N 2.66Å; Q238-Q240 PolarHBondContact O-N 2.88Å; Q238-R241 PolarHBondContact O-N 3.08Å
239Q45.4Very low57.9Low147 Ų147110.8 Ų110.869%0.68755%0.552SS**Hα-helixtrans-59.8-18.6170-86.3178.3-12.600110.9T237T237-Q239 PolarHBondContact O-N 2.89Å
240Q45.6Very low59Low171 Ų171103.6 Ų103.680%0.79954%0.537SS*.Hα-helixtrans-77.5-18.3173.3-74.9-177.3-27.900115.3Q238Q238-Q240 PolarHBondContact O-N 2.88Å
241R45.5Very low60.1Low180 Ų180102.7 Ų102.768%0.67953%0.528SS*.Hα-helixtrans-92-16.1-176.9-84.5-170.3-178.4-178.81.1115.2Q238Q238-R241 PolarHBondContact O-N 3.08Å
242M45.8Very low61.1Low177 Ų177106.1 Ų106.187%0.87254%0.541SS*.Hα-helixtrans-86.4-18.6174.5-79.9-175.27900113.4
243E47.1Very low61.9Low176 Ų176103.9 Ų103.982%0.82254%0.543SS*.Hα-helixtrans-86.3-20176-71.2-170.8159.800113.6
244E46.9Very low62.9Low165 Ų165109.7 Ų109.777%0.77157%0.57SS**SBendtrans-93.1-6.7-177.9-92.6-168.9163.500115.6T246E244-T246 VanDerWaalsContact C-N 3.26Å; E244-T246 PolarHBondContact O-N 3.01Å; E244-T246 VanDerWaalsContact O-N 3.17Å
245V54.1Low64.1Low105 Ų105113 Ų11364%0.63658%0.583SS**  trans-91.474.6168.4-1680000107.9I247V245-I247 PolarHBondContact O-N 3.04Å
246T58.7Low65.3Low115 Ų115117 Ų11771%0.70661%0.609SS**  trans-46.5114.515153.20000105.9E244E244-T246 VanDerWaalsContact C-N 3.26Å; E244-T246 PolarHBondContact O-N 3.01Å; E244-T246 VanDerWaalsContact O-N 3.17Å
247I65.4Low66.9Low127 Ų127116.3 Ų116.365%0.65160%0.598SS**  trans-34.8127.4173.9-61.7163.4000107.2V245 S249 L252V245-I247 PolarHBondContact O-N 3.04Å; I247-S249 PolarHBondContact O-N 2.93Å; I247-S249 PolarHBondContact O-OG 3.3Å; I247-L252 HydrophobicContact CG2-CD1 4.08Å
248P73Confident68.8Low54 Ų54118.9 Ų118.935%0.35161%0.608SS.*  trans-6776.1-173.426.2-33.1000109.9T250 E251 L252P248-T250 PolarHBondContact O-N 2.82Å; P248-E251 HydrophobicContact CB-CB 4.1Å; P248-E251 HydrophobicContact CB-CG 4.06Å; P248-E251 PolarHBondContact O-N 3.4Å; P248-L252 PolarHBondContact O-N 2.97Å
249S75.9Confident70.7Confident79 Ų79121 Ų12155%0.55261%0.613SS**Hα-helixtrans-67.9-29.7-175.745.70000110I247 A253I247-S249 PolarHBondContact O-N 2.93Å; I247-S249 PolarHBondContact O-OG 3.3Å; S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.3Å
250T81.9Confident72.9Confident106 Ų106116.1 Ų116.165%0.6560%0.597SS**Hα-helixtrans-67-44.4171.650.60000112.2P248 A253 Q254P248-T250 PolarHBondContact O-N 2.82Å; T250-A253 PolarHBondContact O-N 3.04Å; T250-Q254 WeakPolarHBondContact O-CB 3.35Å; T250-Q254 PolarHBondContact O-N 3.41Å
251E84.8Confident74.9Confident118 Ų118115.6 Ų115.655%0.55159%0.588SS**Hα-helixtrans-67.1-42.1177.1-66.3-175.7158.900111.4P248 Q254 Q255P248-E251 HydrophobicContact CB-CB 4.1Å; P248-E251 HydrophobicContact CB-CG 4.06Å; P248-E251 PolarHBondContact O-N 3.4Å; E251-Q254 PolarHBondContact O-N 3.24Å; E251-Q255 WeakPolarHBondContact O-CG 3.28Å; E251-Q255 PolarHBondContact O-N 3.01Å
252L86.5Confident76.8Confident90 Ų90112.8 Ų112.847%0.47158%0.582SS.*Hα-helixtrans-63.2-42.6175-71.6172.8000111.8I247 P248 Q254 Q255 V256I247-L252 HydrophobicContact CG2-CD1 4.08Å; P248-L252 PolarHBondContact O-N 2.97Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 2.82Å; L252-Q255 PolarHBondContact O-N 2.88Å; L252-V256 VanDerWaalsContact O-CG2 3.29Å; L252-V256 WeakPolarHBondContact O-CG2 3.42Å; L252-V256 PolarHBondContact O-N 2.91Å
253A85.9Confident78.7Confident48 Ų48111.6 Ų111.640%0.39758%0.579SS.*Hα-helixtrans-63-41.5175.800000111.7S249 T250 V256 I257S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.3Å; T250-A253 PolarHBondContact O-N 3.04Å; A253-V256 PolarHBondContact O-N 3.28Å; A253-I257 VanDerWaalsContact O-CG1 3.25Å; A253-I257 WeakPolarHBondContact O-CG1 3.47Å; A253-I257 PolarHBondContact O-N 3.31Å
254Q88.9Confident80.2Confident125 Ų125111.1 Ų111.158%0.58458%0.576SS**Hα-helixtrans-65.1-43.1177.1-169.4172-8.800111.5T250 E251 L252 V256 I257 E258T250-Q254 WeakPolarHBondContact O-CB 3.35Å; T250-Q254 PolarHBondContact O-N 3.41Å; E251-Q254 PolarHBondContact O-N 3.24Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 2.82Å; Q254-V256 VanDerWaalsContact C-N 3.35Å; Q254-V256 PolarHBondContact O-N 3.49Å; Q254-I257 PolarHBondContact O-N 2.85Å; Q254-E258 WeakPolarHBondContact O-CB 3.2Å; Q254-E258 PolarHBondContact O-N 3.4Å
255Q89.1Confident81.7Confident102 Ų102109.4 Ų109.448%0.47757%0.57SS.*Hα-helixtrans-59.1-44.4173.6-74.6179.4-0.500111.7E251 L252 I257 E258 Y259E251-Q255 WeakPolarHBondContact O-CG 3.28Å; E251-Q255 PolarHBondContact O-N 3.01Å; L252-Q255 PolarHBondContact O-N 2.88Å; Q255-I257 PolarHBondContact O-N 3.44Å; Q255-E258 WeakPolarHBondContact O-CB 3.37Å; Q255-E258 PolarHBondContact O-N 3.33Å; Q255-Y259 HydrophobicContact CB-CD2 4.43Å; Q255-Y259 HydrophobicContact CB-CE2 4.16Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.28Å; Q255-Y259 PolarHBondContact O-N 3.46Å
256V91.7Very high82.4Confident96 Ų96112 Ų11258%0.58258%0.578SS**Hα-helixtrans-63.9-40177.8172.50000111.8L252 A253 Q254 Y259 A260L252-V256 VanDerWaalsContact O-CG2 3.29Å; L252-V256 WeakPolarHBondContact O-CG2 3.42Å; L252-V256 PolarHBondContact O-N 2.91Å; A253-V256 PolarHBondContact O-N 3.28Å; Q254-V256 VanDerWaalsContact C-N 3.35Å; Q254-V256 PolarHBondContact O-N 3.49Å; V256-Y259 PolarHBondContact O-N 3.39Å; V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 3.34Å
257I90.8Very high82.4Confident117 Ų117116 Ų11660%0.660%0.603SS**Hα-helixtrans-65.5-41.1175.1-67.5164.6000110.9A253 Q254 Q255 A260 R261A253-I257 VanDerWaalsContact O-CG1 3.25Å; A253-I257 WeakPolarHBondContact O-CG1 3.47Å; A253-I257 PolarHBondContact O-N 3.31Å; Q254-I257 PolarHBondContact O-N 2.85Å; Q255-I257 PolarHBondContact O-N 3.44Å; I257-A260 PolarHBondContact O-N 2.86Å; I257-R261 WeakPolarHBondContact O-CB 3.19Å; I257-R261 PolarHBondContact O-N 2.79Å
258E92.1Very high83.2Confident89 Ų89115.5 Ų115.542%0.41660%0.6SS.*Hα-helixtrans-62.4-45.6176.3-155.6101.1-147.600111Q254 Q255 R261 H262Q254-E258 WeakPolarHBondContact O-CB 3.2Å; Q254-E258 PolarHBondContact O-N 3.4Å; Q255-E258 WeakPolarHBondContact O-CB 3.37Å; Q255-E258 PolarHBondContact O-N 3.33Å; E258-R261 PolarHBondContact O-N 2.95Å; E258-H262 WeakPolarHBondContact O-CB 3.29Å; E258-H262 PolarHBondContact O-CD2 2.85Å; E258-H262 PolarHBondContact O-N 3.12Å
259Y90.4Very high83.8Confident155 Ų155118.7 Ų118.761%0.60861%0.613SS**Hα-helixtrans-61.1-45.9175.1-74.2-56.7000112Q255 V256 R261 H262 L263Q255-Y259 HydrophobicContact CB-CD2 4.43Å; Q255-Y259 HydrophobicContact CB-CE2 4.16Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.28Å; Q255-Y259 PolarHBondContact O-N 3.46Å; V256-Y259 PolarHBondContact O-N 3.39Å; Y259-R261 VanDerWaalsContact C-N 3.34Å; Y259-R261 PolarHBondContact O-N 2.85Å; Y259-H262 PolarHBondContact O-N 2.88Å; Y259-L263 WeakPolarHBondContact O-CG 3.24Å; Y259-L263 PolarHBondContact O-N 3.05Å
260A90.3Very high84.2Confident44 Ų44120.9 Ų120.936%0.36462%0.617SS.*Hα-helixtrans-61.4-43.3176.500000111.3V256 I257 H262 L263 E264V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 3.34Å; I257-A260 PolarHBondContact O-N 2.86Å; A260-H262 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 3.41Å; A260-L263 PolarHBondContact O-N 3.36Å; A260-E264 WeakPolarHBondContact O-CB 3.42Å; A260-E264 PolarHBondContact O-N 2.84Å
261R87.1Confident84.4Confident160 Ų160121.8 Ų121.860%0.60462%0.615SS**Hα-helixtrans-61.6-41.1176.7-164.8179.497.1142.73.7112.1I257 E258 Y259 L263 M265I257-R261 WeakPolarHBondContact O-CB 3.19Å; I257-R261 PolarHBondContact O-N 2.79Å; E258-R261 PolarHBondContact O-N 2.95Å; Y259-R261 VanDerWaalsContact C-N 3.34Å; Y259-R261 PolarHBondContact O-N 2.85Å; R261-L263 VanDerWaalsContact C-N 3.35Å; R261-M265 WeakPolarHBondContact O-CB 3.31Å; R261-M265 PolarHBondContact O-N 2.81Å
262H86.9Confident84.3Confident121 Ų121122.1 Ų122.156%0.5662%0.619SS**Hα-helixtrans-70.3-30.3178.3-78.5-139.4000112.7E258 Y259 A260E258-H262 WeakPolarHBondContact O-CB 3.29Å; E258-H262 PolarHBondContact O-CD2 2.85Å; E258-H262 PolarHBondContact O-N 3.12Å; Y259-H262 PolarHBondContact O-N 2.88Å; A260-H262 VanDerWaalsContact C-N 3.34Å; A260-H262 PolarHBondContact O-N 3.41Å
263L84.8Confident84.2Confident152 Ų152124.2 Ų124.280%0.79663%0.628SS**Hα-helixtrans-78.5-36.2176.4-77.6162.1000113.1Y259 A260 R261Y259-L263 WeakPolarHBondContact O-CG 3.24Å; Y259-L263 PolarHBondContact O-N 3.05Å; A260-L263 PolarHBondContact O-N 3.36Å; R261-L263 VanDerWaalsContact C-N 3.35Å
264E79.7Confident84.1Confident165 Ų165129.6 Ų129.677%0.77165%0.645SS**Hα-helixtrans-85.1-17.3179-72.6-174.916200113.5A260 I266A260-E264 WeakPolarHBondContact O-CB 3.42Å; A260-E264 PolarHBondContact O-N 2.84Å; E264-I266 PolarHBondContact O-N 2.72Å
265M77.5Confident83.7Confident129 Ų129130 Ų13064%0.63565%0.65SS**SBendtrans-68.6104.2172.3-175.6170.6167.300109.1R261 V267R261-M265 WeakPolarHBondContact O-CB 3.31Å; R261-M265 PolarHBondContact O-N 2.81Å; M265-V267 PolarHBondContact O-N 3.13Å
266I68.6Low83.2Confident159 Ų159132.3 Ų132.382%0.81566%0.664SS**  trans-63118.9171.4-55.6173.2000107.5E264E264-I266 PolarHBondContact O-N 2.72Å
267V58.9Low82.5Confident201 Ų201135.6 Ų135.6100%1.21867%0.672SS**  trans-73.20167.7177.90000109.8M265M265-V267 PolarHBondContact O-N 3.13Å

Retrieved 267 of 267 residues in 79.4 ms (Link to these results)