A0A087X693_POEFO Loading...

Phospholipid phosphatase related 5b

AlphaFold DB , UniProt , Accession A0A087X693, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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
1I48.7Very low63.1Low175 Ų17599.8 Ų99.890%0.89754%0.536SS*.  0-58.10-60.4170000109.9I3 T4 E5I1-I3 PolarHBondContact O-N 3.36Å; I1-T4 PolarHBondContact O-N 3.33Å; I1-E5 HydrophobicContact CG2-CG 4.48Å; I1-E5 VanDerWaalsContact O-CG 3.28Å; I1-E5 WeakPolarHBondContact O-CG 3.4Å; I1-E5 PolarHBondContact O-N 3.31Å; I1-E5 VanDerWaalsContact O-N 3.11Å
2T58.3Low63.6Low110 Ų110100.8 Ų100.868%0.67554%0.535SS*.Hα-helixtrans-57.7-44.417850.50000114.4E5 T6T2-E5 PolarHBondContact O-N 3.32Å; T2-T6 WeakPolarHBondContact O-CB 3.39Å; T2-T6 PolarHBondContact O-N 3Å; T2-T6 PolarHBondContact O-OG1 2.98Å
3I60.8Low64Low120 Ų12099 Ų9962%0.61552%0.517SS*.Hα-helixtrans-64.6-45.8-177.7-58.8173.5000111.3I1 E5 T6 V7I1-I3 PolarHBondContact O-N 3.36Å; I3-E5 PolarHBondContact O-N 3.16Å; I3-T6 PolarHBondContact O-N 3.46Å; I3-V7 HydrophobicContact CG2-CG2 4.39Å; I3-V7 WeakPolarHBondContact O-CB 3.36Å; I3-V7 VanDerWaalsContact O-CG2 3.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.43Å
4T62.7Low63.7Low86 Ų8697.1 Ų97.153%0.52851%0.512SS..Hα-helixtrans-63.2-43.5178.9-40.50000111.3I1 V7 L8I1-T4 PolarHBondContact O-N 3.33Å; T4-V7 PolarHBondContact O-N 3.41Å; T4-L8 HydrophobicContact CG2-CD1 4.14Å; T4-L8 VanDerWaalsContact O-CB 3.28Å; T4-L8 WeakPolarHBondContact O-CB 3.24Å; T4-L8 PolarHBondContact O-N 3.15Å
5E63.4Low63.5Low120 Ų12095.1 Ų95.156%0.56151%0.509SS*.Hα-helixtrans-65-38175.7-69-64.6123.500112I1 T2 I3 F9I1-E5 HydrophobicContact CG2-CG 4.48Å; I1-E5 VanDerWaalsContact O-CG 3.28Å; I1-E5 WeakPolarHBondContact O-CG 3.4Å; I1-E5 PolarHBondContact O-N 3.31Å; I1-E5 VanDerWaalsContact O-N 3.11Å; T2-E5 PolarHBondContact O-N 3.32Å; I3-E5 PolarHBondContact O-N 3.16Å; E5-F9 WeakPolarHBondContact O-CB 3.44Å; E5-F9 PolarHBondContact O-N 3.4Å
6T64.2Low63.2Low75 Ų7599 Ų9946%0.4652%0.52SS..Hα-helixtrans-70.2-39.8178.5-43.60000111.1T2 I3 F9 L10T2-T6 WeakPolarHBondContact O-CB 3.39Å; T2-T6 PolarHBondContact O-N 3Å; T2-T6 PolarHBondContact O-OG1 2.98Å; I3-T6 PolarHBondContact O-N 3.46Å; T6-F9 PolarHBondContact O-N 3.19Å; T6-L10 HydrophobicContact CG2-CD1 4.5Å; T6-L10 WeakPolarHBondContact O-CB 2.89Å; T6-L10 PolarHBondContact O-N 3.25Å
7V66.5Low63.2Low75 Ų7595.7 Ų95.746%0.45550%0.502SS..Hα-helixtrans-67.8-44.6175171.90000110.3I3 T4 F9 L10 V11I3-V7 HydrophobicContact CG2-CG2 4.39Å; I3-V7 WeakPolarHBondContact O-CB 3.36Å; I3-V7 VanDerWaalsContact O-CG2 3.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.43Å; T4-V7 PolarHBondContact O-N 3.41Å; V7-F9 VanDerWaalsContact C-N 3.3Å; V7-F9 PolarHBondContact O-N 3.08Å; V7-L10 PolarHBondContact O-N 2.9Å; V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.31Å; V7-V11 PolarHBondContact O-N 3.27Å
8L68.4Low62.8Low76 Ų7698.6 Ų98.640%0.39851%0.509SS..Hα-helixtrans-59.9-41.8172.8-94.8153000111.3T4 V11 Q12T4-L8 HydrophobicContact CG2-CD1 4.14Å; T4-L8 VanDerWaalsContact O-CB 3.28Å; T4-L8 WeakPolarHBondContact O-CB 3.24Å; T4-L8 PolarHBondContact O-N 3.15Å; L8-V11 PolarHBondContact O-N 3.23Å; L8-Q12 WeakPolarHBondContact O-CB 3.25Å; L8-Q12 WeakPolarHBondContact O-CG 3.05Å; L8-Q12 PolarHBondContact O-N 2.89Å
9F71Confident62.3Low140 Ų14098.5 Ų98.561%0.61451%0.51SS*.Hα-helixtrans-65.7-42.7177.5-168.7-93.8000111.5E5 T6 V7 Y13E5-F9 WeakPolarHBondContact O-CB 3.44Å; E5-F9 PolarHBondContact O-N 3.4Å; T6-F9 PolarHBondContact O-N 3.19Å; V7-F9 VanDerWaalsContact C-N 3.3Å; V7-F9 PolarHBondContact O-N 3.08Å; F9-Y13 WeakPolarHBondContact O-CA 3.44Å; F9-Y13 WeakPolarHBondContact O-CB 3.14Å; F9-Y13 PolarHBondContact O-N 2.89Å
10L63.3Low61.9Low43 Ų43102.8 Ų102.823%0.22552%0.519CS..Hα-helixtrans-64.6-43.4174-88.5159.2000112T6 V7 Y13 T14 F151 L154T6-L10 HydrophobicContact CG2-CD1 4.5Å; T6-L10 WeakPolarHBondContact O-CB 2.89Å; T6-L10 PolarHBondContact O-N 3.25Å; V7-L10 PolarHBondContact O-N 2.9Å; L10-Y13 PolarHBondContact O-N 2.7Å; L10-T14 WeakPolarHBondContact O-CB 3.02Å; L10-T14 WeakPolarHBondContact O-CG2 3.48Å; L10-T14 PolarHBondContact O-N 3.27Å; L10-T14 PolarHBondContact O-OG1 3.36Å; L10-F151 HydrophobicContact CD1-CE1 4.49Å; L10-F151 HydrophobicContact CD2-CE1 3.96Å; L10-F151 HydrophobicContact CD2-CZ 3.79Å; L10-L154 HydrophobicContact CD1-CD1 4.5Å
11V66.4Low61.5Low78 Ų78100.9 Ų100.947%0.47352%0.516SS..Hα-helixtrans-66.5-45.1177.3170.60000110.4V7 L8 Y13 T14 S15V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.31Å; V7-V11 PolarHBondContact O-N 3.27Å; L8-V11 PolarHBondContact O-N 3.23Å; V11-Y13 VanDerWaalsContact C-N 3.34Å; V11-Y13 PolarHBondContact O-N 3.46Å; V11-T14 WeakPolarHBondContact CA-OG1 3.13Å; V11-T14 PolarHBondContact O-N 3.11Å; V11-T14 PolarHBondContact O-OG1 2.93Å; V11-S15 WeakPolarHBondContact O-CB 3Å; V11-S15 PolarHBondContact O-N 3.34Å; V11-S15 PolarHBondContact O-OG 2.8Å
12Q69.7Low61.7Low112 Ų11299.2 Ų99.252%0.52350%0.504SS..Hα-helixtrans-68.1-34.7176.4-73.3175.8-9.100112L8 K16L8-Q12 WeakPolarHBondContact O-CB 3.25Å; L8-Q12 WeakPolarHBondContact O-CG 3.05Å; L8-Q12 PolarHBondContact O-N 2.89Å; Q12-K16 WeakPolarHBondContact O-CB 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.37Å; Q12-K16 PolarHBondContact O-N 3.03Å
13Y69Low61.2Low77 Ų77102 Ų10230%0.30251%0.507SS..Hα-helixtrans-67.7-47.8175.3-178.9-94000110.9F9 L10 V11 K16 E17 M147F9-Y13 WeakPolarHBondContact O-CA 3.44Å; F9-Y13 WeakPolarHBondContact O-CB 3.14Å; F9-Y13 PolarHBondContact O-N 2.89Å; L10-Y13 PolarHBondContact O-N 2.7Å; V11-Y13 VanDerWaalsContact C-N 3.34Å; V11-Y13 PolarHBondContact O-N 3.46Å; Y13-K16 PolarHBondContact O-N 2.88Å; Y13-E17 WeakPolarHBondContact CE1-OE2 3.24Å; Y13-E17 WeakPolarHBondContact O-CB 3.4Å; Y13-E17 PolarHBondContact O-N 3.19Å; Y13-M147 HydrophobicContact CE1-CE 4.12Å; Y13-M147 HydrophobicContact CE1-SD 4.22Å
14T58.8Low60.7Low73 Ų73102.4 Ų102.445%0.44852%0.515SS..Hα-helixtrans-64.6-42176.550.80000111.7L10 V11 E17 F18L10-T14 WeakPolarHBondContact O-CB 3.02Å; L10-T14 WeakPolarHBondContact O-CG2 3.48Å; L10-T14 PolarHBondContact O-N 3.27Å; L10-T14 PolarHBondContact O-OG1 3.36Å; V11-T14 WeakPolarHBondContact CA-OG1 3.13Å; V11-T14 PolarHBondContact O-N 3.11Å; V11-T14 PolarHBondContact O-OG1 2.93Å; T14-E17 PolarHBondContact O-N 3.4Å; T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 2.88Å
15S61.5Low59.9Low67 Ų67104.6 Ų104.647%0.46953%0.528SS..Hα-helixtrans-64.5-40172.5-65.20000112.4V11 F18 D19V11-S15 WeakPolarHBondContact O-CB 3Å; V11-S15 PolarHBondContact O-N 3.34Å; V11-S15 PolarHBondContact O-OG 2.8Å; S15-F18 WeakPolarHBondContact O-CB 2.95Å; S15-F18 PolarHBondContact O-N 2.84Å; S15-D19 WeakPolarHBondContact O-CB 3.46Å; S15-D19 PolarHBondContact O-N 2.91Å
16K59.1Low59.6Low157 Ų157102.6 Ų102.668%0.68353%0.532SS*.Hα-helixtrans-69.4-33174.6-91.2-175.4169.9170.60112.8Q12 Y13 F18 R20Q12-K16 WeakPolarHBondContact O-CB 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.37Å; Q12-K16 PolarHBondContact O-N 3.03Å; Y13-K16 PolarHBondContact O-N 2.88Å; K16-F18 VanDerWaalsContact C-N 3.34Å; K16-R20 WeakPolarHBondContact O-CB 3.34Å; K16-R20 PolarHBondContact O-N 3.06Å
17E63.3Low58.6Low43 Ų43105.2 Ų105.220%0.20155%0.548CS..Hα-helixtrans-69.8-37.6174.6-165.1168.8163.900110.3Y13 T14 S21Y13-E17 WeakPolarHBondContact CE1-OE2 3.24Å; Y13-E17 WeakPolarHBondContact O-CB 3.4Å; Y13-E17 PolarHBondContact O-N 3.19Å; T14-E17 PolarHBondContact O-N 3.4Å; E17-S21 VanDerWaalsContact O-CB 3.32Å; E17-S21 WeakPolarHBondContact O-CB 3.42Å; E17-S21 PolarHBondContact O-N 2.79Å
18F55.8Low58Low147 Ų147104.9 Ų104.965%0.64556%0.56SS**Hα-helixtrans-63.5-49.2171.7-160.8-96.4000111.9T14 S15 K16 S21 E22T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 2.88Å; S15-F18 WeakPolarHBondContact O-CB 2.95Å; S15-F18 PolarHBondContact O-N 2.84Å; K16-F18 VanDerWaalsContact C-N 3.34Å; F18-S21 PolarHBondContact O-N 3.13Å; F18-E22 PolarHBondContact O-N 3.49Å
19D53.3Low57.4Low98 Ų98109.2 Ų109.252%0.52458%0.584SS.*Hα-helixtrans-67-42.5179.6-175.4-90.1000112.9S15 S21 E22S15-D19 WeakPolarHBondContact O-CB 3.46Å; S15-D19 PolarHBondContact O-N 2.91Å; D19-S21 PolarHBondContact O-N 2.91Å; D19-E22 WeakPolarHBondContact O-CB 3.16Å; D19-E22 PolarHBondContact O-N 3.1Å
20R53.4Low56.9Low184 Ų184109 Ų10969%0.69460%0.598SS**Hα-helixtrans-63-26.2174.6-173.6176.767.4172.3-1.2112.1K16 E22K16-R20 WeakPolarHBondContact O-CB 3.34Å; K16-R20 PolarHBondContact O-N 3.06Å; R20-E22 VanDerWaalsContact C-N 3.35Å
21S53.7Low56.7Low63 Ų63112.4 Ų112.444%0.44162%0.624SS.*THydrogen-bonded Turntrans-86.2-4.3178.2-162.60000113.6E17 F18 D19 K23 L36E17-S21 VanDerWaalsContact O-CB 3.32Å; E17-S21 WeakPolarHBondContact O-CB 3.42Å; E17-S21 PolarHBondContact O-N 2.79Å; F18-S21 PolarHBondContact O-N 3.13Å; D19-S21 PolarHBondContact O-N 2.91Å; S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 2.93Å; S21-L36 WeakPolarHBondContact OG-CD1 3.46Å
22E53.9Low56.3Low140 Ų140118 Ų11865%0.65464%0.638SS**THydrogen-bonded Turntrans-81.8-1.3-179.2-160.2171.7105.400113.7F18 D19 R20 T24F18-E22 PolarHBondContact O-N 3.49Å; D19-E22 WeakPolarHBondContact O-CB 3.16Å; D19-E22 PolarHBondContact O-N 3.1Å; R20-E22 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.43Å
23K47.3Very low55.8Low169 Ų169119.2 Ų119.274%0.73565%0.647SS**SBendtrans-91.792.8-180-65.4-176.8-178.4171.30112.3S21S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 2.93Å
24T50.2Low55.6Low127 Ų127118.5 Ų118.578%0.77965%0.649SS**  trans60.5128.9152.358.10000120E22E22-T24 PolarHBondContact O-N 3.43Å
25V46.9Very low56.1Low132 Ų132119.7 Ų119.780%0.866%0.658SS**  -171.1137.8117171.40000109.5
26A55.6Low56.2Low79 Ų79120 Ų12065%0.65365%0.654SS**  trans-69.4145.6-176.400000114.9
27T43.5Very low56.8Low130 Ų130115 Ų11580%0.79864%0.636SS**  trans-148.8131.1157.3-62.40000108
28G53.3Low57.2Low68 Ų68121.8 Ų121.870%0.70166%0.66SS**  trans-73.9162.8-160.600000118.3
29D55.8Low58.1Low167 Ų167121.7 Ų121.789%0.89366%0.655SS**SBendtrans7090.3158.2-53.3-19.8000120.7C31D29-C31 PolarHBondContact O-N 3.01Å
30C60.6Low59.1Low136 Ų136119.8 Ų119.892%0.91965%0.648SS**SBendtrans81.7-7154.7-136.10000120.5
31C59.7Low60.4Low114 Ų114117.7 Ų117.777%0.7764%0.644SS**  trans-145.1107.6166.3-84.60000111.5D29 L33D29-C31 PolarHBondContact O-N 3.01Å; C31-L33 VanDerWaalsContact C-N 3.34Å; C31-L33 PolarHBondContact O-N 3.17Å
32Y58.4Low61.7Low194 Ų194120.8 Ų120.876%0.76165%0.646SS**  trans-76.274.4-176.8-150.6-91.7000111.4
33L59Low62.9Low138 Ų138116.5 Ų116.572%0.72363%0.625SS**  trans-101.4106.3173.4-73.2173.9000110.2C31C31-L33 VanDerWaalsContact C-N 3.34Å; C31-L33 PolarHBondContact O-N 3.17Å
34N64.9Low64.7Low63 Ų63113.1 Ų113.134%0.33762%0.615SS.*  trans-54.4128.6178.1-173.2-21.2000109.7L36 V37 R38N34-L36 PolarHBondContact O-N 3.33Å; N34-L36 WeakPolarHBondContact OD1-CB 3.43Å; N34-L36 PolarHBondContact OD1-N 3.24Å; N34-L36 VanDerWaalsContact OD1-N 3.1Å; N34-V37 HydrophobicContact CB-CB 4.24Å; N34-V37 HydrophobicContact CB-CG2 3.84Å; N34-V37 WeakPolarHBondContact O-CA 3.42Å; N34-V37 VanDerWaalsContact O-CB 3.32Å; N34-V37 WeakPolarHBondContact O-CB 3.32Å; N34-V37 PolarHBondContact O-N 3.19Å; N34-R38 PolarHBondContact O-N 2.8Å
35P68.1Low66.4Low97 Ų97109.1 Ų109.163%0.6360%0.598SS**Hα-helixtrans-56-24.7178.120.8-33.1000112.8R39P35-R39 PolarHBondContact O-N 3.34Å; P35-R39 VanDerWaalsContact O-N 3.08Å
36L65.1Low68.3Low74 Ų74104 Ų10439%0.38757%0.567SS.*Hα-helixtrans-71-37.6172.3-59.2-179.3000112.6S21 N34 R38 R39 T40S21-L36 WeakPolarHBondContact OG-CD1 3.46Å; N34-L36 PolarHBondContact O-N 3.33Å; N34-L36 WeakPolarHBondContact OD1-CB 3.43Å; N34-L36 PolarHBondContact OD1-N 3.24Å; N34-L36 VanDerWaalsContact OD1-N 3.1Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.08Å; L36-R39 WeakPolarHBondContact O-CB 3.4Å; L36-R39 PolarHBondContact O-N 3.19Å; L36-T40 WeakPolarHBondContact O-CB 3.32Å; L36-T40 PolarHBondContact O-N 3.18Å; L36-T40 PolarHBondContact O-OG1 3.25Å
37V71.1Confident69.7Low53 Ų53103.4 Ų103.432%0.32155%0.549SS..Hα-helixtrans-62.1-44.7173.5170.60000109.7N34 R39 T40 F41N34-V37 HydrophobicContact CB-CB 4.24Å; N34-V37 HydrophobicContact CB-CG2 3.84Å; N34-V37 WeakPolarHBondContact O-CA 3.42Å; N34-V37 VanDerWaalsContact O-CB 3.32Å; N34-V37 WeakPolarHBondContact O-CB 3.32Å; N34-V37 PolarHBondContact O-N 3.19Å; V37-R39 VanDerWaalsContact C-N 3.3Å; V37-R39 PolarHBondContact O-N 3.49Å; V37-T40 PolarHBondContact O-N 3.1Å; V37-F41 HydrophobicContact CG1-CD2 3.52Å; V37-F41 HydrophobicContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact O-CD2 3.25Å; V37-F41 WeakPolarHBondContact O-CD2 3.32Å; V37-F41 PolarHBondContact O-N 3.02Å
38R71.8Confident71.9Confident185 Ų18598.8 Ų98.870%0.69852%0.524SS*.Hα-helixtrans-58.3-41.1174.2-169.4-177.8-163.6-168.36.4112.5N34 L36 R42N34-R38 PolarHBondContact O-N 2.8Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.08Å; R38-R42 PolarHBondContact O-N 2.83Å
39R74.1Confident73.7Confident144 Ų144101.5 Ų101.554%0.54352%0.516SS..Hα-helixtrans-66.8-46.9176.9-175.7171.6-178142.23111.1P35 L36 V37 R42 F43P35-R39 PolarHBondContact O-N 3.34Å; P35-R39 VanDerWaalsContact O-N 3.08Å; L36-R39 WeakPolarHBondContact O-CB 3.4Å; L36-R39 PolarHBondContact O-N 3.19Å; V37-R39 VanDerWaalsContact C-N 3.3Å; V37-R39 PolarHBondContact O-N 3.49Å; R39-R42 WeakPolarHBondContact O-CB 3.42Å; R39-R42 PolarHBondContact O-N 2.91Å; R39-F43 HydrophobicContact CG-CD2 3.79Å; R39-F43 HydrophobicContact CG-CE2 3.5Å; R39-F43 WeakPolarHBondContact O-CD2 3.14Å; R39-F43 PolarHBondContact O-N 2.84Å
40T75.3Confident75.3Confident59 Ų5993.6 Ų93.636%0.36247%0.474SS..Hα-helixtrans-61.1-44.7177.6-60.30000111.8L36 V37 R42 F43 L44L36-T40 WeakPolarHBondContact O-CB 3.32Å; L36-T40 PolarHBondContact O-N 3.18Å; L36-T40 PolarHBondContact O-OG1 3.25Å; V37-T40 PolarHBondContact O-N 3.1Å; T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 PolarHBondContact O-N 3.37Å; T40-F43 PolarHBondContact O-N 3.34Å; T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.25Å; T40-L44 PolarHBondContact O-N 2.67Å
41F80.2Confident76.6Confident140 Ų14089.5 Ų89.561%0.61444%0.443SS*.Hα-helixtrans-59-39.1175.1-90.5-72.5000112.4V37 L44 G45V37-F41 HydrophobicContact CG1-CD2 3.52Å; V37-F41 HydrophobicContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact O-CD2 3.25Å; V37-F41 WeakPolarHBondContact O-CD2 3.32Å; V37-F41 PolarHBondContact O-N 3.02Å; F41-L44 PolarHBondContact O-N 3.05Å; F41-G45 PolarHBondContact O-N 3.43Å
42R80.3Confident78.2Confident127 Ų12790.7 Ų90.748%0.47944%0.435SS..Hα-helixtrans-65.1-44.9175.5-168.7-174.5-66.9176.3-0.4111.7R38 R39 T40 G45 V46 F195R38-R42 PolarHBondContact O-N 2.83Å; R39-R42 WeakPolarHBondContact O-CB 3.42Å; R39-R42 PolarHBondContact O-N 2.91Å; T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 PolarHBondContact O-N 3.37Å; R42-G45 PolarHBondContact O-N 3.43Å; R42-V46 WeakPolarHBondContact O-CG2 3.47Å; R42-V46 PolarHBondContact O-N 3.36Å; R42-V46 VanDerWaalsContact O-N 3.1Å; R42-F195 HydrophobicContact CG-CZ 4.07Å
43F80.4Confident79.7Confident50 Ų5082.9 Ų82.922%0.21941%0.407CS..Hα-helixtrans-65.6-39.1175.9-80-70.9000112.4R39 T40 V46 Y47 Y126 Y130R39-F43 HydrophobicContact CG-CD2 3.79Å; R39-F43 HydrophobicContact CG-CE2 3.5Å; R39-F43 WeakPolarHBondContact O-CD2 3.14Å; R39-F43 PolarHBondContact O-N 2.84Å; T40-F43 PolarHBondContact O-N 3.34Å; F43-V46 PolarHBondContact O-N 2.87Å; F43-Y47 WeakPolarHBondContact O-CB 3.36Å; F43-Y47 PolarHBondContact O-N 3.45Å; F43-Y126 PolarHBondContact O-OH 2.94Å; F43-Y130 HydrophobicContact CD1-CD2 4.32Å; F43-Y130 HydrophobicContact CD2-CE2 4.2Å; F43-Y130 HydrophobicContact CG-CD2 4.3Å; F43-Y130 HydrophobicContact CG-CE2 4.21Å
44L84.8Confident81.1Confident99 Ų9976.3 Ų76.352%0.51837%0.373SS..Hα-helixtrans-68.2-38.7177.8-172.362.9000111.2T40 F41 Y47 A48T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.25Å; T40-L44 PolarHBondContact O-N 2.67Å; F41-L44 PolarHBondContact O-N 3.05Å; L44-Y47 HydrophobicContact CD1-CD1 4.29Å; L44-Y47 WeakPolarHBondContact O-CB 3.23Å; L44-Y47 PolarHBondContact O-N 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 2.92Å
45G85.1Confident82.3Confident42 Ų4275.2 Ų75.243%0.43337%0.367SS..Hα-helixtrans-61.1-44.717400000112.5F41 R42 A48 F49F41-G45 PolarHBondContact O-N 3.43Å; R42-G45 PolarHBondContact O-N 3.43Å; G45-A48 PolarHBondContact O-N 2.99Å; G45-F49 WeakPolarHBondContact O-CB 3.28Å; G45-F49 PolarHBondContact O-N 3.33Å
46V86.5Confident83.4Confident26 Ų2675.8 Ų75.816%0.15836%0.364CS..Hα-helixtrans-64.9-42.2174.9175.20000111.1R42 F43 F49 G50 Y126 V191 F195R42-V46 WeakPolarHBondContact O-CG2 3.47Å; R42-V46 PolarHBondContact O-N 3.36Å; R42-V46 VanDerWaalsContact O-N 3.1Å; F43-V46 PolarHBondContact O-N 2.87Å; V46-F49 PolarHBondContact O-N 2.96Å; V46-G50 PolarHBondContact O-N 3.23Å; V46-Y126 HydrophobicContact CG1-CE2 4.08Å; V46-V191 HydrophobicContact CB-CG1 4.49Å; V46-V191 HydrophobicContact CG1-CB 4.27Å; V46-V191 HydrophobicContact CG1-CG1 3.82Å; V46-V191 HydrophobicContact CG1-CG2 4.18Å; V46-V191 HydrophobicContact CG2-CG1 3.78Å; V46-F195 HydrophobicContact CG2-CE2 4.44Å
47Y86.6Confident84.5Confident65 Ų6578.2 Ų78.226%0.25537%0.371SS..Hα-helixtrans-59.7-49.1177.3178.7-112.9000111.7F43 L44 G50 L51 Y122 A123 Y126F43-Y47 WeakPolarHBondContact O-CB 3.36Å; F43-Y47 PolarHBondContact O-N 3.45Å; L44-Y47 HydrophobicContact CD1-CD1 4.29Å; L44-Y47 WeakPolarHBondContact O-CB 3.23Å; L44-Y47 PolarHBondContact O-N 3.31Å; Y47-G50 PolarHBondContact O-N 2.88Å; Y47-L51 HydrophobicContact CD1-CD1 3.95Å; Y47-L51 HydrophobicContact CD1-CG 4.44Å; Y47-L51 HydrophobicContact CE1-CD1 3.43Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.43Å; Y47-L51 HydrophobicContact CE1-CG 4.06Å; Y47-L51 HydrophobicContact CE2-CD2 4.43Å; Y47-L51 HydrophobicContact CE2-CG 4.38Å; Y47-L51 PolarHBondContact O-N 3.37Å; Y47-Y122 AromaticContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CE2-CD1 4.15Å; Y47-Y122 AromaticContact CE2-CE1 3.56Å; Y47-Y122 HydrophobicContact CE2-CE1 3.56Å; Y47-Y122 PolarHBondContact O-OH 2.94Å; Y47-A123 HydrophobicContact CE2-CB 4.48Å; Y47-A123 WeakPolarHBondContact OH-CB 3.29Å; Y47-Y126 AromaticContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD2 4.3Å; Y47-Y126 AromaticContact CD2-CE1 3.82Å; Y47-Y126 HydrophobicContact CD2-CE1 3.82Å; Y47-Y126 AromaticContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CE2-CD1 4.14Å; Y47-Y126 HydrophobicContact CE2-CG 4.3Å; Y47-Y126 HydrophobicContact CG-CD1 4.09Å; Y47-Y126 HydrophobicContact CG-CE1 4.07Å
48A89Confident85.1Confident33 Ų3375.7 Ų75.727%0.27336%0.356SS..Hα-helixtrans-63.2-44.2178.600000111.7L44 G45 G50 L51 F52L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 2.92Å; G45-A48 PolarHBondContact O-N 2.99Å; A48-G50 VanDerWaalsContact C-N 3.27Å; A48-G50 PolarHBondContact O-N 3.07Å; A48-L51 WeakPolarHBondContact O-CB 3.49Å; A48-L51 PolarHBondContact O-N 2.83Å; A48-L51 VanDerWaalsContact O-N 3.11Å; A48-F52 WeakPolarHBondContact O-CD2 3.32Å; A48-F52 PolarHBondContact O-N 2.69Å
49F90.4Very high85.7Confident126 Ų12669.6 Ų69.655%0.55334%0.338SS*.Hα-helixtrans-55.9-43.5174.8174.9-101000111.9G45 V46 F52 T53 L187G45-F49 WeakPolarHBondContact O-CB 3.28Å; G45-F49 PolarHBondContact O-N 3.33Å; V46-F49 PolarHBondContact O-N 2.96Å; F49-F52 PolarHBondContact O-N 2.88Å; F49-T53 WeakPolarHBondContact O-CB 3.25Å; F49-T53 PolarHBondContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 3.29Å; F49-L187 HydrophobicContact CD1-CD2 3.86Å; F49-L187 HydrophobicContact CE1-CD2 3.91Å
50G89.6Confident86.2Confident0 Ų065.1 Ų65.10%033%0.331CS..Hα-helixtrans-69.4-35.6175.600000114V46 Y47 A48 F52 T53 V54 Y122V46-G50 PolarHBondContact O-N 3.23Å; Y47-G50 PolarHBondContact O-N 2.88Å; A48-G50 VanDerWaalsContact C-N 3.27Å; A48-G50 PolarHBondContact O-N 3.07Å; G50-F52 PolarHBondContact O-N 3.32Å; G50-T53 WeakPolarHBondContact O-CB 3.21Å; G50-T53 PolarHBondContact O-N 3.02Å; G50-V54 WeakPolarHBondContact O-CG2 3.45Å; G50-V54 PolarHBondContact O-N 2.95Å; G50-Y122 VanDerWaalsContact CA-OH 3.25Å; G50-Y122 WeakPolarHBondContact CA-OH 3.22Å
51L89.4Confident86.3Confident50 Ų5063.1 Ų63.126%0.26232%0.323SS..Hα-helixtrans-58.5-47.6171.6-74.1177.3000111.4Y47 A48 T53 V54 D55 L119 Y122Y47-L51 HydrophobicContact CD1-CD1 3.95Å; Y47-L51 HydrophobicContact CD1-CG 4.44Å; Y47-L51 HydrophobicContact CE1-CD1 3.43Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.43Å; Y47-L51 HydrophobicContact CE1-CG 4.06Å; Y47-L51 HydrophobicContact CE2-CD2 4.43Å; Y47-L51 HydrophobicContact CE2-CG 4.38Å; Y47-L51 PolarHBondContact O-N 3.37Å; A48-L51 WeakPolarHBondContact O-CB 3.49Å; A48-L51 PolarHBondContact O-N 2.83Å; A48-L51 VanDerWaalsContact O-N 3.11Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 3.42Å; L51-V54 PolarHBondContact O-N 3.34Å; L51-D55 VanDerWaalsContact O-CB 3.32Å; L51-D55 WeakPolarHBondContact O-CB 3.37Å; L51-D55 PolarHBondContact O-N 2.97Å; L51-L119 HydrophobicContact CD2-CD2 3.92Å; L51-Y122 HydrophobicContact CD2-CD1 3.62Å; L51-Y122 HydrophobicContact CD2-CE1 3.65Å; L51-Y122 HydrophobicContact CG-CD1 4.3Å; L51-Y122 HydrophobicContact CG-CE1 3.82Å
52F92.1Very high86.1Confident140 Ų14058 Ų5861%0.61430%0.3SS*.Hα-helixtrans-61.8-39.6176-74.6-64.8000111.9A48 F49 G50 D55 I56A48-F52 WeakPolarHBondContact O-CD2 3.32Å; A48-F52 PolarHBondContact O-N 2.69Å; F49-F52 PolarHBondContact O-N 2.88Å; G50-F52 PolarHBondContact O-N 3.32Å; F52-D55 PolarHBondContact O-N 3.06Å; F52-I56 WeakPolarHBondContact O-CB 3.49Å; F52-I56 WeakPolarHBondContact O-CD1 3.25Å; F52-I56 WeakPolarHBondContact O-CG1 3.48Å; F52-I56 PolarHBondContact O-N 3.11Å
53T90.3Very high85.9Confident29 Ų2957.3 Ų57.318%0.17831%0.31CS..Hα-helixtrans-62-51.6177.1-570000110.7F49 G50 L51 D55 I56 F57 I183F49-T53 WeakPolarHBondContact O-CB 3.25Å; F49-T53 PolarHBondContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 3.29Å; G50-T53 WeakPolarHBondContact O-CB 3.21Å; G50-T53 PolarHBondContact O-N 3.02Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 3.42Å; T53-D55 VanDerWaalsContact C-N 3.29Å; T53-D55 PolarHBondContact O-N 2.94Å; T53-I56 PolarHBondContact O-N 3.02Å; T53-F57 HydrophobicContact CG2-CD2 3.7Å; T53-F57 HydrophobicContact CG2-CE2 3.69Å; T53-F57 VanDerWaalsContact O-CD2 3.27Å; T53-F57 WeakPolarHBondContact O-CD2 3.37Å; T53-F57 PolarHBondContact O-N 3.45Å; T53-I183 HydrophobicContact CG2-CD1 4.39Å; T53-I183 HydrophobicContact CG2-CG2 4Å
54V89.1Confident85.6Confident0 Ų060.9 Ų60.90%034%0.336CS..Hα-helixtrans-56.9-44.6176.1176.20000110.9G50 L51 F57 V58 A118 L119 Y122 I183G50-V54 WeakPolarHBondContact O-CG2 3.45Å; G50-V54 PolarHBondContact O-N 2.95Å; L51-V54 PolarHBondContact O-N 3.34Å; V54-F57 PolarHBondContact O-N 3.1Å; V54-V58 HydrophobicContact CG1-CG2 4.27Å; V54-V58 WeakPolarHBondContact O-CB 3.49Å; V54-V58 VanDerWaalsContact O-CG2 3.3Å; V54-V58 WeakPolarHBondContact O-CG2 3.32Å; V54-V58 PolarHBondContact O-N 3.04Å; V54-A118 HydrophobicContact CG1-CB 3.81Å; V54-L119 HydrophobicContact CB-CD2 4.12Å; V54-L119 HydrophobicContact CG1-CD2 3.79Å; V54-L119 HydrophobicContact CG1-CG 4.39Å; V54-Y122 HydrophobicContact CG2-CD2 3.87Å; V54-Y122 HydrophobicContact CG2-CG 3.89Å; V54-I183 HydrophobicContact CB-CD1 4.22Å; V54-I183 HydrophobicContact CG2-CB 3.9Å; V54-I183 HydrophobicContact CG2-CD1 3.75Å; V54-I183 HydrophobicContact CG2-CG1 4.43Å; V54-I183 HydrophobicContact CG2-CG2 3.65Å
55D88.9Confident84.8Confident40 Ų4058.6 Ų58.621%0.21433%0.326CS..Hα-helixtrans-58.5-49.8178.5-169.178000112L51 F52 T53 F57 V58 N59 K115L51-D55 VanDerWaalsContact O-CB 3.32Å; L51-D55 WeakPolarHBondContact O-CB 3.37Å; L51-D55 PolarHBondContact O-N 2.97Å; F52-D55 PolarHBondContact O-N 3.06Å; T53-D55 VanDerWaalsContact C-N 3.29Å; T53-D55 PolarHBondContact O-N 2.94Å; D55-F57 PolarHBondContact O-N 3.24Å; D55-V58 PolarHBondContact O-N 3.39Å; D55-N59 VanDerWaalsContact O-CB 3.3Å; D55-N59 WeakPolarHBondContact O-CB 3.25Å; D55-N59 PolarHBondContact O-N 2.99Å; D55-N59 PolarHBondContact O-ND2 3.41Å; D55-N59 VanDerWaalsContact O-ND2 3.09Å; D55-N59 PolarHBondContact OD2-ND2 2.81Å; D55-K115 WeakPolarHBondContact OD1-CE 3.27Å; D55-K115 IonicContact OD1-NZ 2.6Å; D55-K115 PolarHBondContact OD1-NZ 3.37Å
56I90.6Very high83.5Confident109 Ų10958.2 Ų58.256%0.55932%0.322SS*.Hα-helixtrans-61.1-47.5178.8-69.1164.1000110.9F52 T53 V58 N59 A60F52-I56 WeakPolarHBondContact O-CB 3.49Å; F52-I56 WeakPolarHBondContact O-CD1 3.25Å; F52-I56 WeakPolarHBondContact O-CG1 3.48Å; F52-I56 PolarHBondContact O-N 3.11Å; T53-I56 PolarHBondContact O-N 3.02Å; I56-V58 PolarHBondContact O-N 3.35Å; I56-N59 PolarHBondContact O-N 3.28Å; I56-A60 VanDerWaalsContact O-CB 3.28Å; I56-A60 WeakPolarHBondContact O-CB 3.44Å; I56-A60 PolarHBondContact O-N 2.95Å
57F88.3Confident82.2Confident125 Ų12561 Ų6155%0.54834%0.336SS..Hα-helixtrans-64-41.1-179.3-88.5-78000112.3T53 V54 D55 A60 G61 I179 I183T53-F57 HydrophobicContact CG2-CD2 3.7Å; T53-F57 HydrophobicContact CG2-CE2 3.69Å; T53-F57 VanDerWaalsContact O-CD2 3.27Å; T53-F57 WeakPolarHBondContact O-CD2 3.37Å; T53-F57 PolarHBondContact O-N 3.45Å; V54-F57 PolarHBondContact O-N 3.1Å; D55-F57 PolarHBondContact O-N 3.24Å; F57-A60 PolarHBondContact O-N 3.43Å; F57-G61 PolarHBondContact O-N 3.33Å; F57-I179 HydrophobicContact CB-CG2 4.38Å; F57-I183 HydrophobicContact CB-CD1 4.05Å; F57-I183 HydrophobicContact CD2-CD1 3.86Å; F57-I183 HydrophobicContact CG-CD1 4.13Å
58V85.3Confident80.8Confident0 Ų060.2 Ų60.20%034%0.336CS..Hα-helixtrans-67.4-45.6176.3170.80000111V54 D55 I56 A60 G61 Q62 P113 K115 A118 I179V54-V58 HydrophobicContact CG1-CG2 4.27Å; V54-V58 WeakPolarHBondContact O-CB 3.49Å; V54-V58 VanDerWaalsContact O-CG2 3.3Å; V54-V58 WeakPolarHBondContact O-CG2 3.32Å; V54-V58 PolarHBondContact O-N 3.04Å; D55-V58 PolarHBondContact O-N 3.39Å; I56-V58 PolarHBondContact O-N 3.35Å; V58-A60 VanDerWaalsContact C-N 3.29Å; V58-A60 PolarHBondContact O-N 3.2Å; V58-G61 PolarHBondContact O-N 3.27Å; V58-G61 VanDerWaalsContact O-N 3.16Å; V58-Q62 HydrophobicContact CG1-CG 4.43Å; V58-Q62 WeakPolarHBondContact O-CG 3.35Å; V58-Q62 PolarHBondContact O-N 3.42Å; V58-P113 HydrophobicContact CG1-CG 4.14Å; V58-P113 HydrophobicContact CG2-CG 4.41Å; V58-K115 HydrophobicContact CG1-CB 3.74Å; V58-K115 HydrophobicContact CG1-CG 4.29Å; V58-A118 HydrophobicContact CG2-CB 3.67Å; V58-I179 HydrophobicContact CG2-CG2 4.41Å
59N84.3Confident79.4Confident58 Ų5859 Ų5931%0.3133%0.326SS..Hα-helixtrans-60.4-41.2177.2-70.2-28.6000111D55 I56 Q62 V63D55-N59 VanDerWaalsContact O-CB 3.3Å; D55-N59 WeakPolarHBondContact O-CB 3.25Å; D55-N59 PolarHBondContact O-N 2.99Å; D55-N59 PolarHBondContact O-ND2 3.41Å; D55-N59 VanDerWaalsContact O-ND2 3.09Å; D55-N59 PolarHBondContact OD2-ND2 2.81Å; I56-N59 PolarHBondContact O-N 3.28Å; N59-Q62 PolarHBondContact O-N 3.36Å; N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.3Å
60A83.2Confident77.8Confident49 Ų4955.5 Ų55.541%0.40532%0.316SS..Hα-helixtrans-62.7-45.5174.100000111.4I56 F57 V58 Q62 V63 V64I56-A60 VanDerWaalsContact O-CB 3.28Å; I56-A60 WeakPolarHBondContact O-CB 3.44Å; I56-A60 PolarHBondContact O-N 2.95Å; F57-A60 PolarHBondContact O-N 3.43Å; V58-A60 VanDerWaalsContact C-N 3.29Å; V58-A60 PolarHBondContact O-N 3.2Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.43Å; A60-V63 PolarHBondContact O-N 3.03Å; A60-V63 VanDerWaalsContact O-N 3.12Å; A60-V64 VanDerWaalsContact O-CG2 3.3Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 2.91Å
61G77.6Confident76.1Confident18 Ų1858.2 Ų58.219%0.18633%0.327CS..Hα-helixtrans-58.3-37.6175.100000113.2F57 V58 V64 T65 F112F57-G61 PolarHBondContact O-N 3.33Å; V58-G61 PolarHBondContact O-N 3.27Å; V58-G61 VanDerWaalsContact O-N 3.16Å; G61-V64 PolarHBondContact O-N 3.44Å; G61-T65 WeakPolarHBondContact O-CB 3.32Å; G61-T65 PolarHBondContact O-N 2.86Å; G61-T65 PolarHBondContact O-OG1 3.46Å; G61-F112 CarbonylContact C-O 3.49Å
62Q76.4Confident74.7Confident31 Ų3156 Ų5615%0.14532%0.315CS..Hα-helixtrans-66.8-37.7174.8-71.8177.1-1.100113.1V58 N59 A60 G66 K110 F112 P113V58-Q62 HydrophobicContact CG1-CG 4.43Å; V58-Q62 WeakPolarHBondContact O-CG 3.35Å; V58-Q62 PolarHBondContact O-N 3.42Å; N59-Q62 PolarHBondContact O-N 3.36Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.43Å; Q62-G66 PolarHBondContact O-N 3.49Å; Q62-K110 HydrophobicContact CB-CB 4.31Å; Q62-F112 WeakPolarHBondContact CA-O 3.09Å; Q62-F112 WeakPolarHBondContact CG-O 3.3Å; Q62-F112 PolarHBondContact N-O 2.95Å; Q62-P113 PolarHBondContact NE2-O 2.86Å; Q62-P113 VanDerWaalsContact NE2-O 3.12Å
63V76.4Confident72.9Confident114 Ų11454.3 Ų54.369%0.69131%0.312SS*.Hα-helixtrans-69.6-38.8174.9173.20000111.3N59 A60N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.3Å; A60-V63 PolarHBondContact O-N 3.03Å; A60-V63 VanDerWaalsContact O-N 3.12Å
64V72.8Confident71.4Confident124 Ų12457.9 Ų57.975%0.75233%0.333SS*.Hα-helixtrans-75.6-40-177.1173.20000112.4A60 G61A60-V64 VanDerWaalsContact O-CG2 3.3Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 2.91Å; G61-V64 PolarHBondContact O-N 3.44Å
65T68.6Low70.1Confident51 Ų5159.6 Ų59.631%0.31334%0.344SS..Hα-helixtrans-86.5-38.6-170.9-42.90000112.8G61 N67 F112G61-T65 WeakPolarHBondContact O-CB 3.32Å; G61-T65 PolarHBondContact O-N 2.86Å; G61-T65 PolarHBondContact O-OG1 3.46Å; T65-N67 HydrophobicContact CG2-CB 4.27Å; T65-N67 WeakPolarHBondContact CG2-ND2 3.35Å; T65-N67 PolarHBondContact O-N 2.78Å; T65-F112 HydrophobicContact CG2-CB 3.92Å; T65-F112 HydrophobicContact CG2-CD1 3.58Å; T65-F112 HydrophobicContact CG2-CE1 4.28Å; T65-F112 HydrophobicContact CG2-CG 3.79Å; T65-F112 WeakPolarHBondContact OG1-CD1 3.32Å
66G58.6Low69Low34 Ų3457.7 Ų57.735%0.35133%0.334SS..  trans59.117.8175.600000116.5Q62Q62-G66 PolarHBondContact O-N 3.49Å
67N59.1Low67.7Low85 Ų8559.3 Ų59.346%0.45534%0.337SS..PPolyproline II helixtrans-73.6135.9-177.9-83-17000112.3T65 R109 T111 F112T65-N67 HydrophobicContact CG2-CB 4.27Å; T65-N67 WeakPolarHBondContact CG2-ND2 3.35Å; T65-N67 PolarHBondContact O-N 2.78Å; N67-R109 CarbonylContact O-C 3.54Å; N67-T111 PolarHBondContact O-N 3.33Å; N67-F112 HydrophobicContact CB-CB 4.05Å
68L56.6Low66.6Low49 Ų4954.2 Ų54.226%0.25732%0.316SS..PPolyproline II helixtrans-74.8139.1176.9-87.865.2000111.8F72 R109L68-F72 HydrophobicContact CB-CB 4.27Å; L68-F72 HydrophobicContact CB-CG 4.25Å; L68-F72 HydrophobicContact CD2-CB 4.38Å; L68-F72 HydrophobicContact CD2-CD1 3.3Å; L68-F72 HydrophobicContact CD2-CD2 4Å; L68-F72 HydrophobicContact CD2-CE1 3.38Å; L68-F72 HydrophobicContact CD2-CE2 4.09Å; L68-F72 HydrophobicContact CD2-CG 3.62Å; L68-F72 HydrophobicContact CD2-CZ 3.8Å; L68-F72 HydrophobicContact CG-CB 4.37Å; L68-F72 HydrophobicContact CG-CD1 4.05Å; L68-F72 HydrophobicContact CG-CD2 3.87Å; L68-F72 HydrophobicContact CG-CE1 4.29Å; L68-F72 HydrophobicContact CG-CE2 4.14Å; L68-F72 HydrophobicContact CG-CG 3.82Å; L68-F72 HydrophobicContact CG-CZ 4.35Å; L68-R109 HydrophobicContact CD1-CG 3.66Å; L68-R109 HydrophobicContact CG-CG 4.02Å
69A60.4Low65.5Low6 Ų657.3 Ų57.35%0.0533%0.333CS..PPolyproline II helixtrans-65.8153.3172.900000111.8Y71 F72 A108 T111A69-Y71 HydrophobicContact CB-CD1 3.38Å; A69-Y71 HydrophobicContact CB-CE1 3.24Å; A69-Y71 HydrophobicContact CB-CG 4.09Å; A69-Y71 PolarHBondContact O-N 2.86Å; A69-F72 WeakPolarHBondContact O-CB 3.19Å; A69-F72 PolarHBondContact O-N 2.86Å; A69-A108 HydrophobicContact CB-CB 4.25Å; A69-A108 WeakPolarHBondContact CB-O 3.49Å; A69-A108 PolarHBondContact N-O 2.88Å; A69-T111 VanDerWaalsContact CA-OG1 3.25Å; A69-T111 WeakPolarHBondContact CA-OG1 3.45Å; A69-T111 HydrophobicContact CB-CG2 3.7Å; A69-T111 WeakPolarHBondContact CB-OG1 3.21Å; A69-T111 PolarHBondContact N-OG1 2.89Å; A69-T111 VanDerWaalsContact N-OG1 3.07Å
70P55.5Low64.4Low53 Ų5362.2 Ų62.234%0.34435%0.348SS..THydrogen-bonded Turntrans-62.3-25.817123.1-30.8000113.2F72P70-F72 VanDerWaalsContact C-N 3.33Å
71Y54.1Low63.2Low58 Ų5866.3 Ų66.323%0.22737%0.368CS..THydrogen-bonded Turntrans-87.14174.973.4-90.2000113.8A69 L73 T74 V75 A108 R167A69-Y71 HydrophobicContact CB-CD1 3.38Å; A69-Y71 HydrophobicContact CB-CE1 3.24Å; A69-Y71 HydrophobicContact CB-CG 4.09Å; A69-Y71 PolarHBondContact O-N 2.86Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.26Å; Y71-T74 PolarHBondContact O-N 3.48Å; Y71-T74 PolarHBondContact O-OG1 2.98Å; Y71-V75 HydrophobicContact CD2-CG2 3.74Å; Y71-V75 HydrophobicContact CE2-CG2 4.21Å; Y71-V75 PolarHBondContact O-N 3.32Å; Y71-A108 HydrophobicContact CD2-CB 4.08Å; Y71-A108 HydrophobicContact CE2-CB 3.48Å; Y71-A108 VanDerWaalsContact CE2-CB 3.48Å; Y71-R167 WeakPolarHBondContact CD1-O 3.33Å; Y71-R167 VanDerWaalsContact CE1-O 3.22Å; Y71-R167 WeakPolarHBondContact CE1-O 3.38Å
72F60.1Low62.1Low3 Ų369.1 Ų69.11%0.01339%0.39CS..Hα-helixtrans-60.1-39.8-179.4176-91.1000112.3L68 A69 P70 V75 C76 V105 A108 R109L68-F72 HydrophobicContact CB-CB 4.27Å; L68-F72 HydrophobicContact CB-CG 4.25Å; L68-F72 HydrophobicContact CD2-CB 4.38Å; L68-F72 HydrophobicContact CD2-CD1 3.3Å; L68-F72 HydrophobicContact CD2-CD2 4Å; L68-F72 HydrophobicContact CD2-CE1 3.38Å; L68-F72 HydrophobicContact CD2-CE2 4.09Å; L68-F72 HydrophobicContact CD2-CG 3.62Å; L68-F72 HydrophobicContact CD2-CZ 3.8Å; L68-F72 HydrophobicContact CG-CB 4.37Å; L68-F72 HydrophobicContact CG-CD1 4.05Å; L68-F72 HydrophobicContact CG-CD2 3.87Å; L68-F72 HydrophobicContact CG-CE1 4.29Å; L68-F72 HydrophobicContact CG-CE2 4.14Å; L68-F72 HydrophobicContact CG-CG 3.82Å; L68-F72 HydrophobicContact CG-CZ 4.35Å; A69-F72 WeakPolarHBondContact O-CB 3.19Å; A69-F72 PolarHBondContact O-N 2.86Å; P70-F72 VanDerWaalsContact C-N 3.33Å; F72-V75 PolarHBondContact O-N 2.87Å; F72-C76 HydrophobicContact CD1-CB 4.28Å; F72-C76 HydrophobicContact CE1-CB 3.97Å; F72-C76 HydrophobicContact CZ-CB 4.22Å; F72-C76 WeakPolarHBondContact O-CB 3.43Å; F72-C76 PolarHBondContact O-N 2.94Å; F72-V105 HydrophobicContact CE2-CG1 3.65Å; F72-V105 HydrophobicContact CZ-CG1 4.15Å; F72-A108 HydrophobicContact CB-CB 4.01Å; F72-A108 HydrophobicContact CD2-CB 3.72Å; F72-A108 HydrophobicContact CG-CB 4.34Å; F72-R109 HydrophobicContact CD2-CG 4.36Å; F72-R109 HydrophobicContact CE2-CG 3.88Å
73L54.7Low61.2Low105 Ų10571.1 Ų71.155%0.5540%0.401SS..Hα-helixtrans-70.4-33.8-176.8-71.6166.8000113.1Y71 K77 I92Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.26Å; L73-K77 PolarHBondContact O-N 3.47Å; L73-I92 HydrophobicContact CD2-CD1 4.33Å
74T57.9Low60.1Low103 Ų10368 Ų6863%0.63239%0.392SS*.Hα-helixtrans-71.6-33.1177.546.70000112Y71Y71-T74 PolarHBondContact O-N 3.48Å; Y71-T74 PolarHBondContact O-OG1 2.98Å
75V62.8Low59.2Low37 Ų3768.1 Ų68.122%0.22440%0.397CS..Hα-helixtrans-81.8-40.7176.5177.70000111.7Y71 F72 K77 G100 D104 V105Y71-V75 HydrophobicContact CD2-CG2 3.74Å; Y71-V75 HydrophobicContact CE2-CG2 4.21Å; Y71-V75 PolarHBondContact O-N 3.32Å; F72-V75 PolarHBondContact O-N 2.87Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.05Å; V75-G100 WeakPolarHBondContact O-CA 3.22Å; V75-D104 HydrophobicContact CG1-CB 3.48Å; V75-D104 VanDerWaalsContact CG1-CB 3.48Å; V75-V105 HydrophobicContact CG1-CG2 3.85Å
76C66.3Low58.5Low0 Ų073.5 Ų73.50%042%0.419CS..Hα-helixtrans-63.2-35.9-178.3172.20000112.4F72 C98 T99 G100F72-C76 HydrophobicContact CD1-CB 4.28Å; F72-C76 HydrophobicContact CE1-CB 3.97Å; F72-C76 HydrophobicContact CZ-CB 4.22Å; F72-C76 WeakPolarHBondContact O-CB 3.43Å; F72-C76 PolarHBondContact O-N 2.94Å; C76-C98 HydrophobicContact CB-CB 3.91Å; C76-C98 WeakPolarHBondContact CB-SG 3.36Å; C76-C98 CarbonylContact O-C 3.39Å; C76-C98 WeakPolarHBondContact O-CA 3.16Å; C76-C98 WeakPolarHBondContact O-CB 3.04Å; C76-C98 VanDerWaalsContact SG-CA 3.56Å; C76-C98 WeakPolarHBondContact SG-CB 3.27Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 3.06Å; C76-T99 PolarHBondContact O-N 3.41Å; C76-G100 PolarHBondContact O-N 2.93Å
77K62Low58.3Low142 Ų14278.3 Ų78.362%0.61743%0.432SS*.  trans42.872.7-173.9-70.5-171.9178.2176.40111.2L73 V75 N79 T99L73-K77 PolarHBondContact O-N 3.47Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.05Å; K77-N79 PolarHBondContact O-N 3.47Å; K77-T99 PolarHBondContact O-N 3.21Å; K77-T99 PolarHBondContact O-OG1 3.23Å
78P65.8Low57.9Low18 Ų1879.7 Ų79.712%0.11746%0.455CS..BIsolated β-bridgetrans-62.8132.9-171.224.8-34.1000111.5Y80 A97P78-Y80 HydrophobicContact CG-CE1 4.06Å; P78-Y80 HydrophobicContact CG-CE2 3.9Å; P78-Y80 WeakPolarHBondContact CG-OH 3.32Å; P78-Y80 VanDerWaalsContact O-CD2 3.28Å; P78-Y80 WeakPolarHBondContact O-CD2 3.37Å; P78-Y80 WeakPolarHBondContact O-CE2 3.06Å; P78-Y80 PolarHBondContact O-N 2.96Å; P78-Y80 VanDerWaalsContact O-N 3.14Å; P78-A97 VanDerWaalsContact CA-O 3.26Å; P78-A97 WeakPolarHBondContact CA-O 3.47Å
79N63Low57.4Low65 Ų6585.5 Ų85.535%0.34849%0.485SS..  trans-82.289.7176.3-170.7-16.9000110.2K77 T81 A82 L83 A97K77-N79 PolarHBondContact O-N 3.47Å; N79-T81 PolarHBondContact O-N 3.5Å; N79-T81 VanDerWaalsContact O-N 3.15Å; N79-T81 WeakPolarHBondContact OD1-CB 3.27Å; N79-T81 PolarHBondContact OD1-N 3.4Å; N79-A82 PolarHBondContact O-N 2.87Å; N79-A82 VanDerWaalsContact O-N 3.16Å; N79-L83 WeakPolarHBondContact O-CD1 3.3Å; N79-A97 PolarHBondContact N-O 3.23Å
80Y60.3Low56.9Low161 Ų16193.9 Ų93.963%0.63152%0.516SS*.THydrogen-bonded Turntrans-60.1-23.8-177.3-61.1-78000114P78 A82P78-Y80 HydrophobicContact CG-CE1 4.06Å; P78-Y80 HydrophobicContact CG-CE2 3.9Å; P78-Y80 WeakPolarHBondContact CG-OH 3.32Å; P78-Y80 VanDerWaalsContact O-CD2 3.28Å; P78-Y80 WeakPolarHBondContact O-CD2 3.37Å; P78-Y80 WeakPolarHBondContact O-CE2 3.06Å; P78-Y80 PolarHBondContact O-N 2.96Å; P78-Y80 VanDerWaalsContact O-N 3.14Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.39Å
81T59.1Low56.5Low136 Ų13698.6 Ų98.683%0.83453%0.528SS*.THydrogen-bonded Turntrans-72.8-26.3-179.9-39.70000112.3N79N79-T81 PolarHBondContact O-N 3.5Å; N79-T81 VanDerWaalsContact O-N 3.15Å; N79-T81 WeakPolarHBondContact OD1-CB 3.27Å; N79-T81 PolarHBondContact OD1-N 3.4Å
82A53.7Low56.5Low77 Ų7797.8 Ų97.864%0.63653%0.527SS*.THydrogen-bonded Turntrans-90.5-18.117900000113.6N79 Y80N79-A82 PolarHBondContact O-N 2.87Å; N79-A82 VanDerWaalsContact O-N 3.16Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.39Å
83L57.4Low56.1Low73 Ų73100.9 Ų100.938%0.38255%0.549SS..SBendtrans-85.6-11.9-173.3-90.884.6000114.9N79 A97N79-L83 WeakPolarHBondContact O-CD1 3.3Å; L83-A97 HydrophobicContact CD1-CB 3.87Å
84G53.1Low55.9Low49 Ų49102 Ų10251%0.50555%0.551SS.*  trans61.5102.4-176.300000111.6Q86G84-Q86 PolarHBondContact O-N 3.44Å
85C54.6Low55.6Low126 Ų126102.1 Ų102.185%0.85154%0.544SS*.THydrogen-bonded Turntrans-69.363.1-177.3-73.90000113.6
86Q53.7Low55Low164 Ų164108.7 Ų108.777%0.76657%0.573SS**THydrogen-bonded Turntrans-122.7-12.9-177.6-135.4147-43.400114.5G84G84-Q86 PolarHBondContact O-N 3.44Å
87Q53.3Low54.4Low135 Ų135109.1 Ų109.163%0.63158%0.576SS**  trans-142.9114.3172.3-69.484.325.300112.2L89Q87-L89 PolarHBondContact O-N 3.47Å
88A50.9Low54.4Low113 Ų113103.5 Ų103.593%0.93456%0.555SS**THydrogen-bonded Turntrans-68.33.9-174.400000115.9
89L47.5Very low54.3Low172 Ų172107.4 Ų107.490%0.90158%0.578SS**THydrogen-bonded Turntrans-139.744.8-172.4-92160.6000112.2Q87Q87-L89 PolarHBondContact O-N 3.47Å
90R49.5Very low54.3Low181 Ų181105.4 Ų105.468%0.68357%0.573SS**  trans-90.3113.2170.8-158.4168.2-177.1113.5-1.2109.5I92R90-I92 PolarHBondContact O-N 2.93Å
91Y46.8Very low54.7Low152 Ų152102.2 Ų102.260%0.59657%0.567SS**  trans-57.3123.4169.7-173.2-95.8000108.6S93Y91-S93 WeakPolarHBondContact CD1-OG 3.42Å; Y91-S93 PolarHBondContact O-N 2.98Å
92I54.7Low54.7Low41 Ų41101.8 Ų101.821%0.2156%0.555CS.*  trans-74.974.5-175.9-54.2171.2000108.7L73 R90 A97 R109L73-I92 HydrophobicContact CD2-CD1 4.33Å; R90-I92 PolarHBondContact O-N 2.93Å; I92-A97 HydrophobicContact CG2-CB 3.63Å; I92-R109 PolarHBondContact O-NH2 3.41Å
93S50.4Low55Low68 Ų68103.6 Ų103.648%0.47655%0.554SS.*  trans-80.2-32.2177.5-100.90000112.5Y91 R109Y91-S93 WeakPolarHBondContact CD1-OG 3.42Å; Y91-S93 PolarHBondContact O-N 2.98Å; S93-R109 PolarHBondContact O-NH2 3.5Å
94H51.3Low55.1Low129 Ų129103 Ų10360%0.59755%0.551SS**  trans-84.5129.5-171.9-75.2-86.8000112.9E96 A97H94-E96 PolarHBondContact O-N 3.44Å; H94-A97 WeakPolarHBondContact O-CB 3.47Å; H94-A97 PolarHBondContact O-N 3.49Å
95Q51.4Low55.4Low105 Ų105101.4 Ų101.449%0.49153%0.532SS..G310 helixtrans-63.3-22.4-179.7-161.1148.9-32.500113A97Q95-A97 PolarHBondContact O-N 3.42Å
96E49.8Very low55.7Low176 Ų17699.3 Ų99.382%0.82251%0.512SS*.G310 helixtrans-69.1-10.6175.8-57.2-76.1141.800113.9H94H94-E96 PolarHBondContact O-N 3.44Å
97A54.5Low56.1Low8 Ų899.4 Ų99.47%0.06651%0.505CS..G310 helixtrans-86.6-17.2-176.500000114P78 N79 L83 I92 H94 Q95P78-A97 VanDerWaalsContact CA-O 3.26Å; P78-A97 WeakPolarHBondContact CA-O 3.47Å; N79-A97 PolarHBondContact N-O 3.23Å; L83-A97 HydrophobicContact CD1-CB 3.87Å; I92-A97 HydrophobicContact CG2-CB 3.63Å; H94-A97 WeakPolarHBondContact O-CB 3.47Å; H94-A97 PolarHBondContact O-N 3.49Å; Q95-A97 PolarHBondContact O-N 3.42Å
98C61.4Low56.2Low25 Ų2593 Ų9317%0.16948%0.475CS..BIsolated β-bridgetrans-103.4130.5-175.4-60.50000111C76 V105C76-C98 HydrophobicContact CB-CB 3.91Å; C76-C98 WeakPolarHBondContact CB-SG 3.36Å; C76-C98 CarbonylContact O-C 3.39Å; C76-C98 WeakPolarHBondContact O-CA 3.16Å; C76-C98 WeakPolarHBondContact O-CB 3.04Å; C76-C98 VanDerWaalsContact SG-CA 3.56Å; C76-C98 WeakPolarHBondContact SG-CB 3.27Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 3.06Å; C98-V105 HydrophobicContact CB-CG2 4.31Å
99T64.4Low56.6Low99 Ų9990.8 Ų90.861%0.60744%0.443SS*.  trans-97.1-4178.2-14.30000112.8C76 K77C76-T99 PolarHBondContact O-N 3.41Å; K77-T99 PolarHBondContact O-N 3.21Å; K77-T99 PolarHBondContact O-OG1 3.23Å
100G63.4Low57Low24 Ų2487.1 Ų87.125%0.24742%0.42CS..SBendtrans-81.7176.5177.700000114.4V75 C76 Q102V75-G100 WeakPolarHBondContact O-CA 3.22Å; C76-G100 PolarHBondContact O-N 2.93Å; G100-Q102 PolarHBondContact O-N 3.44Å
101N68.4Low57.4Low93 Ų9378.8 Ų78.850%0.49739%0.389SS..  trans-62126.4-179.9-173.912.5000111.9D103 D104 V105N101-D103 VanDerWaalsContact C-N 3.31Å; N101-D103 PolarHBondContact O-N 2.89Å; N101-D104 PolarHBondContact ND2-OD2 2.97Å; N101-D104 PolarHBondContact O-N 3.43Å; N101-V105 WeakPolarHBondContact O-CG2 3.06Å; N101-V105 PolarHBondContact O-N 3.44Å; N101-V105 VanDerWaalsContact O-N 3.16Å
102Q59.5Low57.8Low127 Ų12774 Ų7459%0.59337%0.371SS*.Hα-helixtrans-61.8-35.2-173.4-76.5-171.8-27.400113.4G100 V105 L106G100-Q102 PolarHBondContact O-N 3.44Å; Q102-V105 PolarHBondContact O-N 2.85Å; Q102-L106 WeakPolarHBondContact O-CB 3.32Å; Q102-L106 PolarHBondContact O-N 3.41Å
103D58.8Low58.2Low115 Ų11572.1 Ų72.162%0.61536%0.362SS*.Hα-helixtrans-66.4-39.7-179.3-68.2-42.5000112.5N101 L106 R107N101-D103 VanDerWaalsContact C-N 3.31Å; N101-D103 PolarHBondContact O-N 2.89Å; D103-L106 PolarHBondContact O-N 2.85Å; D103-R107 WeakPolarHBondContact O-CB 3.37Å; D103-R107 PolarHBondContact O-N 3.12Å
104D59.3Low59.5Low60 Ų6069 Ų6932%0.32134%0.34SS..Hα-helixtrans-74.6-33.3179.5-62.9-48.6000111.1V75 N101 R107 A108V75-D104 HydrophobicContact CG1-CB 3.48Å; V75-D104 VanDerWaalsContact CG1-CB 3.48Å; N101-D104 PolarHBondContact ND2-OD2 2.97Å; N101-D104 PolarHBondContact O-N 3.43Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-NH1 3.82Å; D104-A108 VanDerWaalsContact O-CB 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.39Å; D104-A108 PolarHBondContact O-N 3.05Å
105V60.6Low60.9Low16 Ų1666.1 Ų66.110%0.09733%0.326CS..Hα-helixtrans-67.2-40.9172.9175.80000111.2F72 V75 C98 N101 Q102 A108 R109F72-V105 HydrophobicContact CE2-CG1 3.65Å; F72-V105 HydrophobicContact CZ-CG1 4.15Å; V75-V105 HydrophobicContact CG1-CG2 3.85Å; C98-V105 HydrophobicContact CB-CG2 4.31Å; N101-V105 WeakPolarHBondContact O-CG2 3.06Å; N101-V105 PolarHBondContact O-N 3.44Å; N101-V105 VanDerWaalsContact O-N 3.16Å; Q102-V105 PolarHBondContact O-N 2.85Å; V105-A108 PolarHBondContact O-N 3.22Å; V105-R109 PolarHBondContact O-N 3.05Å; V105-R109 VanDerWaalsContact O-N 3.11Å
106L60.4Low62.3Low83 Ų8366.2 Ų66.244%0.43533%0.326SS..Hα-helixtrans-66.9-38.5177.2-154.796.2000111.5Q102 D103 R109Q102-L106 WeakPolarHBondContact O-CB 3.32Å; Q102-L106 PolarHBondContact O-N 3.41Å; D103-L106 PolarHBondContact O-N 2.85Å; L106-R109 PolarHBondContact O-N 2.93Å
107R61Low64Low166 Ų16657.9 Ų57.963%0.62629%0.288SS*.Hα-helixtrans-65.5-38.6174-172.3179.7-70.6158.7-2.3111.8D103 D104 R109 K110D103-R107 WeakPolarHBondContact O-CB 3.37Å; D103-R107 PolarHBondContact O-N 3.12Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-NH1 3.82Å; R107-R109 PolarHBondContact O-N 3.44Å; R107-K110 PolarHBondContact O-N 3.12Å
108A56Low65.5Low0 Ų057.5 Ų57.50%028%0.284CS..Hα-helixtrans-71.9-11.4174.700000113.8A69 Y71 F72 D104 V105 T111A69-A108 HydrophobicContact CB-CB 4.25Å; A69-A108 WeakPolarHBondContact CB-O 3.49Å; A69-A108 PolarHBondContact N-O 2.88Å; Y71-A108 HydrophobicContact CD2-CB 4.08Å; Y71-A108 HydrophobicContact CE2-CB 3.48Å; Y71-A108 VanDerWaalsContact CE2-CB 3.48Å; F72-A108 HydrophobicContact CB-CB 4.01Å; F72-A108 HydrophobicContact CD2-CB 3.72Å; F72-A108 HydrophobicContact CG-CB 4.34Å; D104-A108 VanDerWaalsContact O-CB 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.39Å; D104-A108 PolarHBondContact O-N 3.05Å; V105-A108 PolarHBondContact O-N 3.22Å; A108-T111 PolarHBondContact O-OG1 2.83Å
109R59.1Low66.7Low66 Ų6658.1 Ų58.125%0.24929%0.286CS..THydrogen-bonded Turntrans-91.2-7.1174.1-113.7-178.6-161.5-170.34.3114.2N67 L68 F72 I92 S93 V105 L106 R107N67-R109 CarbonylContact O-C 3.54Å; L68-R109 HydrophobicContact CD1-CG 3.66Å; L68-R109 HydrophobicContact CG-CG 4.02Å; F72-R109 HydrophobicContact CD2-CG 4.36Å; F72-R109 HydrophobicContact CE2-CG 3.88Å; I92-R109 PolarHBondContact O-NH2 3.41Å; S93-R109 PolarHBondContact O-NH2 3.5Å; V105-R109 PolarHBondContact O-N 3.05Å; V105-R109 VanDerWaalsContact O-N 3.11Å; L106-R109 PolarHBondContact O-N 2.93Å; R107-R109 PolarHBondContact O-N 3.44Å
110K55.6Low67.8Low96 Ų9654.5 Ų54.542%0.41727%0.265SS..  trans-121.660-174.7-74.2179.4179.3163.20111.5Q62 R107Q62-K110 HydrophobicContact CB-CB 4.31Å; R107-K110 PolarHBondContact O-N 3.12Å
111T57.8Low69Low6 Ų653.9 Ų53.94%0.03726%0.255CS..  trans-100.6-15.9-168-37.70000113.7N67 A69 A108 P113 N168N67-T111 PolarHBondContact O-N 3.33Å; A69-T111 VanDerWaalsContact CA-OG1 3.25Å; A69-T111 WeakPolarHBondContact CA-OG1 3.45Å; A69-T111 HydrophobicContact CB-CG2 3.7Å; A69-T111 WeakPolarHBondContact CB-OG1 3.21Å; A69-T111 PolarHBondContact N-OG1 2.89Å; A69-T111 VanDerWaalsContact N-OG1 3.07Å; A108-T111 PolarHBondContact O-OG1 2.83Å; T111-P113 CarbonylContact O-C 3.57Å; T111-N168 WeakPolarHBondContact CG2-ND2 3.25Å; T111-N168 PolarHBondContact O-ND2 3.16Å; T111-N168 VanDerWaalsContact O-ND2 3.15Å
112F57Low70.1Confident51 Ų5149.4 Ų49.422%0.22423%0.232CC..SBendtrans-111.1122.2-177.6-165.5-78.2000111.1G61 Q62 T65 N67 D172 A175G61-F112 CarbonylContact C-O 3.49Å; Q62-F112 WeakPolarHBondContact CA-O 3.09Å; Q62-F112 WeakPolarHBondContact CG-O 3.3Å; Q62-F112 PolarHBondContact N-O 2.95Å; T65-F112 HydrophobicContact CG2-CB 3.92Å; T65-F112 HydrophobicContact CG2-CD1 3.58Å; T65-F112 HydrophobicContact CG2-CE1 4.28Å; T65-F112 HydrophobicContact CG2-CG 3.79Å; T65-F112 WeakPolarHBondContact OG1-CD1 3.32Å; N67-F112 HydrophobicContact CB-CB 4.05Å; F112-D172 HydrophobicContact CD2-CB 4.37Å; F112-D172 WeakPolarHBondContact CD2-OD1 3.28Å; F112-A175 HydrophobicContact CE1-CB 4.24Å; F112-A175 HydrophobicContact CE2-CB 4.18Å; F112-A175 HydrophobicContact CZ-CB 3.69Å
113P62.8Low71.4Confident2 Ų244.7 Ų44.71%0.01321%0.214CC..SBendcis-87.9168.1-7.631.3-29.9000113.5V58 Q62 T111 K115 A175 I179V58-P113 HydrophobicContact CG1-CG 4.14Å; V58-P113 HydrophobicContact CG2-CG 4.41Å; Q62-P113 PolarHBondContact NE2-O 2.86Å; Q62-P113 VanDerWaalsContact NE2-O 3.12Å; T111-P113 CarbonylContact O-C 3.57Å; P113-K115 PolarHBondContact O-N 3.4Å; P113-A175 HydrophobicContact CB-CB 4.12Å; P113-I179 HydrophobicContact CB-CD1 3.96Å; P113-I179 HydrophobicContact CG-CD1 3.58Å
114S77.1Confident72.7Confident3 Ų339.6 Ų39.62%0.02119%0.188CC..  trans-71.4110.4178.9-176.60000112.1A117 A118 D172S114-A117 PolarHBondContact O-N 3.47Å; S114-A117 PolarHBondContact OG-N 3.49Å; S114-A118 PolarHBondContact O-N 3.09Å; S114-A118 VanDerWaalsContact O-N 3.08Å; S114-D172 WeakPolarHBondContact CB-O 3.47Å; S114-D172 PolarHBondContact N-O 3.49Å; S114-D172 VanDerWaalsContact N-O 3.09Å
115K81.1Confident74.1Confident68 Ų6838.6 Ų38.630%0.29618%0.182SC..Hα-helixtrans-60.5-47.3176.8-178.6175.6175.51620113.2D55 V58 P113 A117 A118 L119D55-K115 WeakPolarHBondContact OD1-CE 3.27Å; D55-K115 IonicContact OD1-NZ 2.6Å; D55-K115 PolarHBondContact OD1-NZ 3.37Å; V58-K115 HydrophobicContact CG1-CB 3.74Å; V58-K115 HydrophobicContact CG1-CG 4.29Å; P113-K115 PolarHBondContact O-N 3.4Å; K115-A117 VanDerWaalsContact C-N 3.31Å; K115-A117 PolarHBondContact O-N 3.4Å; K115-A118 PolarHBondContact O-N 3.4Å; K115-L119 HydrophobicContact CG-CD1 3.87Å; K115-L119 HydrophobicContact CG-CG 4.39Å; K115-L119 WeakPolarHBondContact O-CG 3.44Å; K115-L119 PolarHBondContact O-N 3.36Å
116E81.2Confident75.3Confident107 Ų10738.9 Ų38.950%0.518%0.182SC..Hα-helixtrans-62.1-39.6-179.6-61.9-59.2145.300111.7S120E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.3Å; E116-S120 PolarHBondContact O-N 3.48Å; E116-S120 PolarHBondContact O-OG 2.86Å
117A84.3Confident76.4Confident1 Ų138.2 Ų38.21%0.00818%0.178CC..Hα-helixtrans-68.5-40.617700000112.3S114 K115 S120 I121 V173 F177S114-A117 PolarHBondContact O-N 3.47Å; S114-A117 PolarHBondContact OG-N 3.49Å; K115-A117 VanDerWaalsContact C-N 3.31Å; K115-A117 PolarHBondContact O-N 3.4Å; A117-S120 PolarHBondContact O-OG 2.92Å; A117-S120 VanDerWaalsContact O-OG 3.11Å; A117-I121 WeakPolarHBondContact O-CG2 3.35Å; A117-I121 PolarHBondContact O-N 2.95Å; A117-V173 HydrophobicContact CB-CG1 4Å; A117-F177 HydrophobicContact CB-CD1 4Å; A117-F177 HydrophobicContact CB-CE1 3.87Å; A117-F177 WeakPolarHBondContact O-CD1 3.15Å; A117-F177 WeakPolarHBondContact O-CE1 3.36Å
118A86.7Confident77.5Confident0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-66.4-42.517800000112.5V54 V58 S114 K115 I121 Y122 G176V54-A118 HydrophobicContact CG1-CB 3.81Å; V58-A118 HydrophobicContact CG2-CB 3.67Å; S114-A118 PolarHBondContact O-N 3.09Å; S114-A118 VanDerWaalsContact O-N 3.08Å; K115-A118 PolarHBondContact O-N 3.4Å; A118-I121 WeakPolarHBondContact O-CG2 3.32Å; A118-Y122 WeakPolarHBondContact O-CB 3.36Å; A118-Y122 PolarHBondContact O-N 2.76Å; A118-G176 VanDerWaalsContact CA-O 3.26Å; A118-G176 WeakPolarHBondContact CA-O 3.35Å; A118-G176 VanDerWaalsContact CB-O 3.29Å; A118-G176 WeakPolarHBondContact CB-O 3.14Å
119L87Confident78.8Confident38 Ų3831.6 Ų31.620%0.19916%0.156CC..Hα-helixtrans-69.1-38.9177.9-67.8174.5000111.9L51 V54 K115 Y122 A123L51-L119 HydrophobicContact CD2-CD2 3.92Å; V54-L119 HydrophobicContact CB-CD2 4.12Å; V54-L119 HydrophobicContact CG1-CD2 3.79Å; V54-L119 HydrophobicContact CG1-CG 4.39Å; K115-L119 HydrophobicContact CG-CD1 3.87Å; K115-L119 HydrophobicContact CG-CG 4.39Å; K115-L119 WeakPolarHBondContact O-CG 3.44Å; K115-L119 PolarHBondContact O-N 3.36Å; L119-Y122 PolarHBondContact O-N 2.92Å; L119-A123 WeakPolarHBondContact O-CB 3.43Å; L119-A123 PolarHBondContact O-N 2.89Å
120S87.8Confident79.7Confident23 Ų2331.8 Ų31.816%0.16116%0.157CC..Hα-helixtrans-67.6-42.3-178.572.10000112.7E116 A117 A123 A124 T158E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.3Å; E116-S120 PolarHBondContact O-N 3.48Å; E116-S120 PolarHBondContact O-OG 2.86Å; A117-S120 PolarHBondContact O-OG 2.92Å; A117-S120 VanDerWaalsContact O-OG 3.11Å; S120-A123 PolarHBondContact O-N 3.41Å; S120-A124 WeakPolarHBondContact O-CB 3.45Å; S120-A124 PolarHBondContact O-N 2.99Å; S120-T158 WeakPolarHBondContact CB-OG1 3.36Å; S120-T158 PolarHBondContact OG-OG1 3.25Å
121I88Confident80.6Confident10 Ų1027.9 Ų27.95%0.05114%0.141CC..Hα-helixtrans-69.2-38177.2-162.662.8000111.8A117 A118 A124 L125 M152 A155 F177 M181A117-I121 WeakPolarHBondContact O-CG2 3.35Å; A117-I121 PolarHBondContact O-N 2.95Å; A118-I121 WeakPolarHBondContact O-CG2 3.32Å; I121-A124 PolarHBondContact O-N 3.38Å; I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 WeakPolarHBondContact O-CG 3.1Å; I121-L125 PolarHBondContact O-N 3.11Å; I121-M152 HydrophobicContact CD1-CE 3.79Å; I121-M152 HydrophobicContact CD1-SD 3.96Å; I121-A155 HydrophobicContact CD1-CB 3.83Å; I121-F177 HydrophobicContact CB-CD1 3.77Å; I121-F177 HydrophobicContact CB-CE1 4.23Å; I121-F177 HydrophobicContact CG1-CD1 4.3Å; I121-F177 HydrophobicContact CG2-CD1 4.02Å; I121-M181 HydrophobicContact CD1-SD 3.91Å; I121-M181 HydrophobicContact CG1-CG 3.75Å; I121-M181 HydrophobicContact CG1-SD 3.42Å; I121-M181 WeakPolarHBondContact CG1-SD 3.09Å; I121-M181 HydrophobicContact CG2-CG 4.47Å
122Y90.1Very high81.4Confident0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-60.7-48.4174.9169.2-95.3000110.7Y47 G50 L51 V54 A118 L119 A124 L125 Y126 A184 L187Y47-Y122 AromaticContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CE2-CD1 4.15Å; Y47-Y122 AromaticContact CE2-CE1 3.56Å; Y47-Y122 HydrophobicContact CE2-CE1 3.56Å; Y47-Y122 PolarHBondContact O-OH 2.94Å; G50-Y122 VanDerWaalsContact CA-OH 3.25Å; G50-Y122 WeakPolarHBondContact CA-OH 3.22Å; L51-Y122 HydrophobicContact CD2-CD1 3.62Å; L51-Y122 HydrophobicContact CD2-CE1 3.65Å; L51-Y122 HydrophobicContact CG-CD1 4.3Å; L51-Y122 HydrophobicContact CG-CE1 3.82Å; V54-Y122 HydrophobicContact CG2-CD2 3.87Å; V54-Y122 HydrophobicContact CG2-CG 3.89Å; A118-Y122 WeakPolarHBondContact O-CB 3.36Å; A118-Y122 PolarHBondContact O-N 2.76Å; L119-Y122 PolarHBondContact O-N 2.92Å; Y122-A124 PolarHBondContact O-N 3.37Å; Y122-L125 PolarHBondContact O-N 2.9Å; Y122-Y126 WeakPolarHBondContact O-CB 3.46Å; Y122-Y126 PolarHBondContact O-N 3.47Å; Y122-A184 HydrophobicContact CD2-CB 3.78Å; Y122-A184 HydrophobicContact CE2-CB 4.35Å; Y122-L187 HydrophobicContact CE2-CD1 3.75Å
123A87.6Confident82Confident28 Ų2832.1 Ų32.123%0.23116%0.164CC..Hα-helixtrans-61.4-45.1178.300000112.1Y47 L119 S120 Y126 L127Y47-A123 HydrophobicContact CE2-CB 4.48Å; Y47-A123 WeakPolarHBondContact OH-CB 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.43Å; L119-A123 PolarHBondContact O-N 2.89Å; S120-A123 PolarHBondContact O-N 3.41Å; A123-Y126 PolarHBondContact O-N 3.21Å; A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 3.3Å
124A87.3Confident82.2Confident8 Ų834.3 Ų34.37%0.06618%0.177CC..Hα-helixtrans-62.6-45.1178.600000112.7S120 I121 Y122 A128 F151 A155S120-A124 WeakPolarHBondContact O-CB 3.45Å; S120-A124 PolarHBondContact O-N 2.99Å; I121-A124 PolarHBondContact O-N 3.38Å; Y122-A124 PolarHBondContact O-N 3.37Å; A124-A128 WeakPolarHBondContact O-CB 3.32Å; A124-A128 PolarHBondContact O-N 3.26Å; A124-F151 HydrophobicContact CB-CB 4.07Å; A124-F151 VanDerWaalsContact CB-O 3.3Å; A124-F151 WeakPolarHBondContact CB-O 3.48Å; A124-A155 HydrophobicContact CB-CB 3.61Å
125L87.6Confident81.7Confident38 Ų3834.6 Ų34.620%0.19918%0.178CC..Hα-helixtrans-64.7-45.1177.4-79.1-177.1000112.4I121 Y122 L127 A128 M129 M152 M181 A184I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 WeakPolarHBondContact O-CG 3.1Å; I121-L125 PolarHBondContact O-N 3.11Å; Y122-L125 PolarHBondContact O-N 2.9Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 3.08Å; L125-M129 WeakPolarHBondContact O-CB 3.38Å; L125-M129 PolarHBondContact O-N 2.93Å; L125-M152 HydrophobicContact CD2-CE 4.3Å; L125-M152 HydrophobicContact CD2-SD 3.63Å; L125-M152 HydrophobicContact CG-SD 4.21Å; L125-M181 HydrophobicContact CD1-CB 4.49Å; L125-M181 HydrophobicContact CD1-CE 3.78Å; L125-M181 HydrophobicContact CD1-CG 4.37Å; L125-M181 HydrophobicContact CD1-SD 3.3Å; L125-M181 WeakPolarHBondContact CD1-SD 3.25Å; L125-M181 HydrophobicContact CD2-CE 4.24Å; L125-M181 HydrophobicContact CD2-SD 4.13Å; L125-M181 HydrophobicContact CG-CE 4.49Å; L125-M181 HydrophobicContact CG-SD 3.87Å; L125-A184 HydrophobicContact CB-CB 3.97Å; L125-A184 HydrophobicContact CD1-CB 3.44Å; L125-A184 VanDerWaalsContact CD1-CB 3.44Å; L125-A184 HydrophobicContact CG-CB 4.4Å
126Y85.4Confident80.6Confident22 Ų2238.9 Ų38.99%0.08620%0.2CC..Hα-helixtrans-63.7-42.3179.8-168.1-89.3000111.2F43 V46 Y47 Y122 A123 M129 Y130F43-Y126 PolarHBondContact O-OH 2.94Å; V46-Y126 HydrophobicContact CG1-CE2 4.08Å; Y47-Y126 AromaticContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD2 4.3Å; Y47-Y126 AromaticContact CD2-CE1 3.82Å; Y47-Y126 HydrophobicContact CD2-CE1 3.82Å; Y47-Y126 AromaticContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CE2-CD1 4.14Å; Y47-Y126 HydrophobicContact CE2-CG 4.3Å; Y47-Y126 HydrophobicContact CG-CD1 4.09Å; Y47-Y126 HydrophobicContact CG-CE1 4.07Å; Y122-Y126 WeakPolarHBondContact O-CB 3.46Å; Y122-Y126 PolarHBondContact O-N 3.47Å; A123-Y126 PolarHBondContact O-N 3.21Å; Y126-M129 PolarHBondContact O-N 3.02Å; Y126-Y130 WeakPolarHBondContact O-CB 3.29Å; Y126-Y130 PolarHBondContact O-N 3.14Å
127L84.1Confident79.4Confident69 Ų6935.5 Ų35.536%0.36119%0.19SC..Hα-helixtrans-69.9-41.1178.4-170.857.4000112A123 L125 M129 Y130 V131 F151A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 3.3Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 2.96Å; L127-M129 VanDerWaalsContact C-N 3.3Å; L127-M129 PolarHBondContact O-N 2.82Å; L127-Y130 HydrophobicContact CD1-CD1 4.47Å; L127-Y130 PolarHBondContact O-N 3.31Å; L127-V131 HydrophobicContact CD1-CG2 4.23Å; L127-V131 HydrophobicContact CG-CG2 4.42Å; L127-V131 WeakPolarHBondContact O-CB 3.26Å; L127-V131 VanDerWaalsContact O-CG2 3.27Å; L127-V131 WeakPolarHBondContact O-CG2 3.34Å; L127-V131 PolarHBondContact O-N 3.45Å; L127-F151 HydrophobicContact CD2-CD1 3.7Å; L127-F151 HydrophobicContact CD2-CE1 3.23Å; L127-F151 HydrophobicContact CD2-CE2 4.4Å; L127-F151 HydrophobicContact CD2-CG 4.47Å; L127-F151 HydrophobicContact CD2-CZ 3.64Å; L127-F151 HydrophobicContact CG-CD1 4.22Å; L127-F151 HydrophobicContact CG-CD2 4.45Å; L127-F151 HydrophobicContact CG-CE1 3.81Å; L127-F151 HydrophobicContact CG-CE2 4.06Å; L127-F151 HydrophobicContact CG-CZ 3.72Å
128A84.1Confident77.9Confident5 Ų545.1 Ų45.14%0.04123%0.232CC..Hα-helixtrans-59.5-41.9173.800000111.6A124 L125 T132 F151A124-A128 WeakPolarHBondContact O-CB 3.32Å; A124-A128 PolarHBondContact O-N 3.26Å; L125-A128 PolarHBondContact O-N 3.08Å; A128-T132 VanDerWaalsContact O-CB 3.29Å; A128-T132 WeakPolarHBondContact O-CB 3.5Å; A128-T132 PolarHBondContact O-N 3.35Å; A128-T132 PolarHBondContact O-OG1 2.81Å; A128-F151 HydrophobicContact CB-CB 4.48Å; A128-F151 HydrophobicContact CB-CD2 4.19Å
129M82.6Confident76.4Confident22 Ų2248.7 Ų48.711%0.10827%0.268CS..Hα-helixtrans-61.4-54.6172.4177.8-82.9-179.700110.4L125 Y126 L127 V131 T132 F133 V188 V192L125-M129 WeakPolarHBondContact O-CB 3.38Å; L125-M129 PolarHBondContact O-N 2.93Å; Y126-M129 PolarHBondContact O-N 3.02Å; L127-M129 VanDerWaalsContact C-N 3.3Å; L127-M129 PolarHBondContact O-N 2.82Å; M129-V131 VanDerWaalsContact C-N 3.34Å; M129-V131 PolarHBondContact O-N 3.37Å; M129-T132 WeakPolarHBondContact O-CA 3.37Å; M129-T132 WeakPolarHBondContact O-CB 3.34Å; M129-T132 PolarHBondContact O-N 2.82Å; M129-F133 HydrophobicContact CE-CD2 3.21Å; M129-F133 HydrophobicContact CE-CE2 3.15Å; M129-F133 HydrophobicContact CE-CG 4.14Å; M129-F133 HydrophobicContact CE-CZ 4.03Å; M129-F133 HydrophobicContact CG-CD2 3.83Å; M129-F133 HydrophobicContact CG-CE2 3.74Å; M129-F133 VanDerWaalsContact O-CD2 3.24Å; M129-F133 WeakPolarHBondContact O-CD2 3.49Å; M129-F133 PolarHBondContact O-N 2.9Å; M129-F133 VanDerWaalsContact O-N 3.09Å; M129-F133 HydrophobicContact SD-CD2 3.59Å; M129-F133 VanDerWaalsContact SD-CD2 3.59Å; M129-F133 HydrophobicContact SD-CE2 3.91Å; M129-V188 HydrophobicContact CG-CG1 4.27Å; M129-V188 HydrophobicContact CG-CG2 4.26Å; M129-V192 HydrophobicContact CE-CB 4.04Å; M129-V192 HydrophobicContact CE-CG1 3.55Å; M129-V192 HydrophobicContact CE-CG2 3.27Å
130Y78.8Confident75.1Confident71 Ų7150.8 Ų50.828%0.27828%0.283SS..Hα-helixtrans-53.7-51-177.8178.9-100.8000111.8F43 Y126 L127 T132 F133 T134F43-Y130 HydrophobicContact CD1-CD2 4.32Å; F43-Y130 HydrophobicContact CD2-CE2 4.2Å; F43-Y130 HydrophobicContact CG-CD2 4.3Å; F43-Y130 HydrophobicContact CG-CE2 4.21Å; Y126-Y130 WeakPolarHBondContact O-CB 3.29Å; Y126-Y130 PolarHBondContact O-N 3.14Å; L127-Y130 HydrophobicContact CD1-CD1 4.47Å; L127-Y130 PolarHBondContact O-N 3.31Å; Y130-T132 VanDerWaalsContact C-N 3.3Å; Y130-T132 PolarHBondContact O-N 3.06Å; Y130-F133 PolarHBondContact O-N 2.89Å; Y130-T134 HydrophobicContact CD1-CG2 4.1Å; Y130-T134 HydrophobicContact CD2-CG2 4.15Å; Y130-T134 HydrophobicContact CE1-CG2 3.68Å; Y130-T134 HydrophobicContact CE2-CG2 3.73Å; Y130-T134 HydrophobicContact CG-CG2 4.33Å; Y130-T134 VanDerWaalsContact CZ-CG2 3.47Å; Y130-T134 WeakPolarHBondContact O-CG2 3.44Å; Y130-T134 PolarHBondContact O-N 3.41Å; Y130-T134 PolarHBondContact O-OG1 3.22Å
131V74.4Confident74.1Confident14 Ų1461.5 Ų61.59%0.08532%0.32CS..Hα-helixtrans-61-39178.1170.70000111.6L127 M129 F133 T134 V135 M147 F151L127-V131 HydrophobicContact CD1-CG2 4.23Å; L127-V131 HydrophobicContact CG-CG2 4.42Å; L127-V131 WeakPolarHBondContact O-CB 3.26Å; L127-V131 VanDerWaalsContact O-CG2 3.27Å; L127-V131 WeakPolarHBondContact O-CG2 3.34Å; L127-V131 PolarHBondContact O-N 3.45Å; M129-V131 VanDerWaalsContact C-N 3.34Å; M129-V131 PolarHBondContact O-N 3.37Å; V131-F133 PolarHBondContact O-N 2.95Å; V131-T134 PolarHBondContact O-N 2.76Å; V131-V135 HydrophobicContact CG1-CG2 3.79Å; V131-V135 WeakPolarHBondContact O-CB 3.22Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.44Å; V131-V135 PolarHBondContact O-N 3.11Å; V131-M147 HydrophobicContact CG1-CB 4.27Å; V131-M147 HydrophobicContact CG1-CE 3.2Å; V131-M147 HydrophobicContact CG1-SD 4.01Å; V131-F151 HydrophobicContact CB-CE2 4.37Å; V131-F151 HydrophobicContact CG2-CE2 3.93Å; V131-F151 HydrophobicContact CG2-CZ 4.25Å
132T75.1Confident73.2Confident53 Ų5367 Ų6733%0.32535%0.348SS..Hα-helixtrans-61.7-33.4176.8-63.60000112.2A128 M129 Y130 K144A128-T132 VanDerWaalsContact O-CB 3.29Å; A128-T132 WeakPolarHBondContact O-CB 3.5Å; A128-T132 PolarHBondContact O-N 3.35Å; A128-T132 PolarHBondContact O-OG1 2.81Å; M129-T132 WeakPolarHBondContact O-CA 3.37Å; M129-T132 WeakPolarHBondContact O-CB 3.34Å; M129-T132 PolarHBondContact O-N 2.82Å; Y130-T132 VanDerWaalsContact C-N 3.3Å; Y130-T132 PolarHBondContact O-N 3.06Å; T132-K144 HydrophobicContact CG2-CD 4.48Å; T132-K144 PolarHBondContact O-NZ 2.96Å
133F69.8Low72.2Confident93 Ų9368.3 Ų68.341%0.40836%0.359SS..Hα-helixtrans-85.5-35.5178.7-80.2-79000114.1M129 Y130 V131 V192M129-F133 HydrophobicContact CE-CD2 3.21Å; M129-F133 HydrophobicContact CE-CE2 3.15Å; M129-F133 HydrophobicContact CE-CG 4.14Å; M129-F133 HydrophobicContact CE-CZ 4.03Å; M129-F133 HydrophobicContact CG-CD2 3.83Å; M129-F133 HydrophobicContact CG-CE2 3.74Å; M129-F133 VanDerWaalsContact O-CD2 3.24Å; M129-F133 WeakPolarHBondContact O-CD2 3.49Å; M129-F133 PolarHBondContact O-N 2.9Å; M129-F133 VanDerWaalsContact O-N 3.09Å; M129-F133 HydrophobicContact SD-CD2 3.59Å; M129-F133 VanDerWaalsContact SD-CD2 3.59Å; M129-F133 HydrophobicContact SD-CE2 3.91Å; Y130-F133 PolarHBondContact O-N 2.89Å; V131-F133 PolarHBondContact O-N 2.95Å; F133-V192 HydrophobicContact CE2-CG1 4.49Å; F133-V192 HydrophobicContact CZ-CG1 4.21Å
134T67.5Low71.3Confident47 Ų4770.5 Ų70.529%0.28836%0.363SS..Hα-helixtrans-80.2-38.3179.759.80000112.5Y130 V131 Q136Y130-T134 HydrophobicContact CD1-CG2 4.1Å; Y130-T134 HydrophobicContact CD2-CG2 4.15Å; Y130-T134 HydrophobicContact CE1-CG2 3.68Å; Y130-T134 HydrophobicContact CE2-CG2 3.73Å; Y130-T134 HydrophobicContact CG-CG2 4.33Å; Y130-T134 VanDerWaalsContact CZ-CG2 3.47Å; Y130-T134 WeakPolarHBondContact O-CG2 3.44Å; Y130-T134 PolarHBondContact O-N 3.41Å; Y130-T134 PolarHBondContact O-OG1 3.22Å; V131-T134 PolarHBondContact O-N 2.76Å; T134-Q136 PolarHBondContact O-N 3.47Å
135V66.1Low70.7Confident9 Ų973.4 Ų73.46%0.05538%0.382CS..  trans-79.294.4-174.4-178.50000109.8V131 A137 K144 M147V131-V135 HydrophobicContact CG1-CG2 3.79Å; V131-V135 WeakPolarHBondContact O-CB 3.22Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.44Å; V131-V135 PolarHBondContact O-N 3.11Å; V135-A137 VanDerWaalsContact C-N 3.25Å; V135-A137 HydrophobicContact CG1-CB 4.05Å; V135-A137 PolarHBondContact O-N 2.83Å; V135-A137 VanDerWaalsContact O-N 3.11Å; V135-K144 WeakPolarHBondContact O-CE 3.35Å; V135-K144 PolarHBondContact O-NZ 3.3Å; V135-M147 HydrophobicContact CG1-CE 4.37Å; V135-M147 HydrophobicContact CG2-CE 3.92Å
136Q56.6Low70.3Confident158 Ų15875.7 Ų75.774%0.73840%0.397SS*.  trans-80.376162.9-66.8-170.4-300109.1T134 K138T134-Q136 PolarHBondContact O-N 3.47Å; Q136-K138 PolarHBondContact O-N 3.28Å
137A56.1Low69.6Low36 Ų3676.4 Ų76.430%0.29840%0.401SS..  trans-6894.5175.800000110V135 G139V135-A137 VanDerWaalsContact C-N 3.25Å; V135-A137 HydrophobicContact CG1-CB 4.05Å; V135-A137 PolarHBondContact O-N 2.83Å; V135-A137 VanDerWaalsContact O-N 3.11Å; A137-G139 PolarHBondContact O-N 2.8Å; A137-G139 VanDerWaalsContact O-N 3.13Å
138K54.3Low69.4Low204 Ų20475 Ų7589%0.88740%0.398SS*.SBendtrans-67.2-1.9177.4-78.7-179.1175178.50114.5Q136Q136-K138 PolarHBondContact O-N 3.28Å
139G54Low69.2Low74 Ų7480.1 Ų80.176%0.76342%0.424SS*.SBendtrans-144.1-15.6-175.700000117.4A137A137-G139 PolarHBondContact O-N 2.8Å; A137-G139 VanDerWaalsContact O-N 3.13Å
140T60.8Low69.1Low82 Ų8280.7 Ų80.750%0.50344%0.435SS..  trans-126.189.9-176.746.20000110.8L142 A143T140-L142 PolarHBondContact O-N 2.79Å; T140-A143 PolarHBondContact O-N 3.44Å; T140-A143 VanDerWaalsContact O-N 3.1Å; T140-A143 WeakPolarHBondContact OG1-CB 3.22Å
141R65.6Low69.3Low249 Ų24978.3 Ų78.394%0.9443%0.426SS*.THydrogen-bonded Turntrans-54.1-24.9173.7-78-178.4162.7-129.1-0.8112.9
142L69.5Low69.7Low125 Ų12580.3 Ų80.365%0.65444%0.436SS*.THydrogen-bonded Turntrans-87-15.1-178.2-157.766.4000114.5T140 K144 P145 V146T140-L142 PolarHBondContact O-N 2.79Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.31Å; L142-P145 HydrophobicContact CD1-CG 4.17Å; L142-P145 VanDerWaalsContact O-CD 3.25Å; L142-P145 WeakPolarHBondContact O-CD 3.45Å; L142-P145 VanDerWaalsContact O-CG 3.32Å; L142-P145 WeakPolarHBondContact O-CG 3.34Å; L142-V146 HydrophobicContact CD2-CG2 4.46Å; L142-V146 HydrophobicContact CG-CG2 3.95Å; L142-V146 WeakPolarHBondContact O-CB 3.39Å; L142-V146 WeakPolarHBondContact O-CG2 3.3Å; L142-V146 PolarHBondContact O-N 2.91Å
143A68.9Low70Confident27 Ų2780.7 Ų80.722%0.22344%0.439CS..Hα-helixtrans-66.1-34.6-175.700000112.7T140 M147T140-A143 PolarHBondContact O-N 3.44Å; T140-A143 VanDerWaalsContact O-N 3.1Å; T140-A143 WeakPolarHBondContact OG1-CB 3.22Å; A143-M147 WeakPolarHBondContact O-CB 3.41Å; A143-M147 WeakPolarHBondContact O-CG 3.15Å; A143-M147 PolarHBondContact O-N 3.01Å
144K68.9Low70.6Confident74 Ų7480 Ų8032%0.32244%0.439SS..Hα-helixtrans-63.4-56.7178.5-63.1-169.9176.7-148.10113.2T132 V135 L142 V146 M147 S148T132-K144 HydrophobicContact CG2-CD 4.48Å; T132-K144 PolarHBondContact O-NZ 2.96Å; V135-K144 WeakPolarHBondContact O-CE 3.35Å; V135-K144 PolarHBondContact O-NZ 3.3Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.31Å; K144-V146 VanDerWaalsContact C-N 3.31Å; K144-V146 PolarHBondContact O-N 3.34Å; K144-M147 PolarHBondContact O-N 3.49Å; K144-S148 PolarHBondContact O-N 3.01Å
145P75.8Confident71.4Confident70 Ų7077.9 Ų77.946%0.45543%0.427SS..Hα-helixtrans-65.2-33.9179.524.8-34.8000112.6L142 S148 L149L142-P145 HydrophobicContact CD1-CG 4.17Å; L142-P145 VanDerWaalsContact O-CD 3.25Å; L142-P145 WeakPolarHBondContact O-CD 3.45Å; L142-P145 VanDerWaalsContact O-CG 3.32Å; L142-P145 WeakPolarHBondContact O-CG 3.34Å; P145-S148 PolarHBondContact O-N 2.85Å; P145-L149 VanDerWaalsContact O-CB 3.25Å; P145-L149 WeakPolarHBondContact O-CB 3.29Å; P145-L149 PolarHBondContact O-N 3.48Å
146V78.1Confident72.2Confident85 Ų8582.8 Ų82.852%0.51545%0.448SS..Hα-helixtrans-65.7-43.3178.1171.30000111.5L142 K144 L149 G150L142-V146 HydrophobicContact CD2-CG2 4.46Å; L142-V146 HydrophobicContact CG-CG2 3.95Å; L142-V146 WeakPolarHBondContact O-CB 3.39Å; L142-V146 WeakPolarHBondContact O-CG2 3.3Å; L142-V146 PolarHBondContact O-N 2.91Å; K144-V146 VanDerWaalsContact C-N 3.31Å; K144-V146 PolarHBondContact O-N 3.34Å; V146-L149 PolarHBondContact O-N 3.26Å; V146-G150 PolarHBondContact O-N 3.36Å
147M71.4Confident73.4Confident37 Ų3779.4 Ų79.418%0.18244%0.435CS..Hα-helixtrans-67.8-41.7176.3-72.9-149.8-75.600112.2Y13 V131 V135 A143 K144 L149 G150 F151Y13-M147 HydrophobicContact CE1-CE 4.12Å; Y13-M147 HydrophobicContact CE1-SD 4.22Å; V131-M147 HydrophobicContact CG1-CB 4.27Å; V131-M147 HydrophobicContact CG1-CE 3.2Å; V131-M147 HydrophobicContact CG1-SD 4.01Å; V135-M147 HydrophobicContact CG1-CE 4.37Å; V135-M147 HydrophobicContact CG2-CE 3.92Å; A143-M147 WeakPolarHBondContact O-CB 3.41Å; A143-M147 WeakPolarHBondContact O-CG 3.15Å; A143-M147 PolarHBondContact O-N 3.01Å; K144-M147 PolarHBondContact O-N 3.49Å; M147-L149 VanDerWaalsContact C-N 3.32Å; M147-L149 PolarHBondContact O-N 3.07Å; M147-G150 PolarHBondContact O-N 2.88Å; M147-F151 HydrophobicContact CB-CE2 4.38Å; M147-F151 WeakPolarHBondContact O-CD2 3.42Å; M147-F151 PolarHBondContact O-N 3.34Å
148S78.8Confident74.5Confident41 Ų4180.6 Ų80.629%0.28744%0.438SS..Hα-helixtrans-58.3-45.4173.6-175.50000111.8K144 P145 G150 F151 M152K144-S148 PolarHBondContact O-N 3.01Å; P145-S148 PolarHBondContact O-N 2.85Å; S148-G150 VanDerWaalsContact C-N 3.33Å; S148-F151 PolarHBondContact O-N 3.48Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.28Å; S148-M152 VanDerWaalsContact O-N 3.12Å
149L80.1Confident75.6Confident112 Ų11270.9 Ų70.959%0.58640%0.396SS*.Hα-helixtrans-64.3-40.4177.7-175.964.4000111.1P145 V146 M147 F151 M152 C153P145-L149 VanDerWaalsContact O-CB 3.25Å; P145-L149 WeakPolarHBondContact O-CB 3.29Å; P145-L149 PolarHBondContact O-N 3.48Å; V146-L149 PolarHBondContact O-N 3.26Å; M147-L149 VanDerWaalsContact C-N 3.32Å; M147-L149 PolarHBondContact O-N 3.07Å; L149-F151 PolarHBondContact O-N 3.32Å; L149-M152 PolarHBondContact O-N 2.6Å; L149-C153 WeakPolarHBondContact O-CB 3.38Å; L149-C153 PolarHBondContact O-N 3.09Å; L149-C153 PolarHBondContact O-SG 3.4Å
150G81.8Confident76.7Confident34 Ų3471.3 Ų71.335%0.35138%0.38SS..Hα-helixtrans-56.6-48.7175.200000112.8V146 M147 S148 M152 C153 L154V146-G150 PolarHBondContact O-N 3.36Å; M147-G150 PolarHBondContact O-N 2.88Å; S148-G150 VanDerWaalsContact C-N 3.33Å; G150-M152 PolarHBondContact O-N 2.79Å; G150-C153 PolarHBondContact O-N 3.22Å; G150-L154 WeakPolarHBondContact O-CG 3.48Å; G150-L154 PolarHBondContact O-N 3.49Å
151F82.3Confident77.5Confident20 Ų2071.7 Ų71.79%0.08838%0.379CS..Hα-helixtrans-63-41.9177.1-67-57.5000112.5L10 A124 L127 A128 V131 M147 S148 L149 L154 A155L10-F151 HydrophobicContact CD1-CE1 4.49Å; L10-F151 HydrophobicContact CD2-CE1 3.96Å; L10-F151 HydrophobicContact CD2-CZ 3.79Å; A124-F151 HydrophobicContact CB-CB 4.07Å; A124-F151 VanDerWaalsContact CB-O 3.3Å; A124-F151 WeakPolarHBondContact CB-O 3.48Å; L127-F151 HydrophobicContact CD2-CD1 3.7Å; L127-F151 HydrophobicContact CD2-CE1 3.23Å; L127-F151 HydrophobicContact CD2-CE2 4.4Å; L127-F151 HydrophobicContact CD2-CG 4.47Å; L127-F151 HydrophobicContact CD2-CZ 3.64Å; L127-F151 HydrophobicContact CG-CD1 4.22Å; L127-F151 HydrophobicContact CG-CD2 4.45Å; L127-F151 HydrophobicContact CG-CE1 3.81Å; L127-F151 HydrophobicContact CG-CE2 4.06Å; L127-F151 HydrophobicContact CG-CZ 3.72Å; A128-F151 HydrophobicContact CB-CB 4.48Å; A128-F151 HydrophobicContact CB-CD2 4.19Å; V131-F151 HydrophobicContact CB-CE2 4.37Å; V131-F151 HydrophobicContact CG2-CE2 3.93Å; V131-F151 HydrophobicContact CG2-CZ 4.25Å; M147-F151 HydrophobicContact CB-CE2 4.38Å; M147-F151 WeakPolarHBondContact O-CD2 3.42Å; M147-F151 PolarHBondContact O-N 3.34Å; S148-F151 PolarHBondContact O-N 3.48Å; L149-F151 PolarHBondContact O-N 3.32Å; F151-L154 PolarHBondContact O-N 3.44Å; F151-A155 PolarHBondContact O-N 3.26Å
152M82.2Confident77.9Confident57 Ų5762.5 Ų62.528%0.28135%0.345SS..Hα-helixtrans-63.9-41.6176.7-68.9-64.4-70.100112.1I121 L125 S148 L149 G150 L154 A155 F156 M181I121-M152 HydrophobicContact CD1-CE 3.79Å; I121-M152 HydrophobicContact CD1-SD 3.96Å; L125-M152 HydrophobicContact CD2-CE 4.3Å; L125-M152 HydrophobicContact CD2-SD 3.63Å; L125-M152 HydrophobicContact CG-SD 4.21Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.28Å; S148-M152 VanDerWaalsContact O-N 3.12Å; L149-M152 PolarHBondContact O-N 2.6Å; G150-M152 PolarHBondContact O-N 2.79Å; M152-L154 VanDerWaalsContact C-N 3.35Å; M152-L154 PolarHBondContact O-N 3.03Å; M152-A155 PolarHBondContact O-N 3.12Å; M152-F156 WeakPolarHBondContact O-CB 3.39Å; M152-F156 PolarHBondContact O-N 2.88Å; M152-M181 HydrophobicContact CE-SD 4.34Å
153C82.3Confident78.1Confident60 Ų6059 Ų5941%0.40533%0.328SS..Hα-helixtrans-61.2-43.2174.8-73.80000111.6L149 G150 F156 L157L149-C153 WeakPolarHBondContact O-CB 3.38Å; L149-C153 PolarHBondContact O-N 3.09Å; L149-C153 PolarHBondContact O-SG 3.4Å; G150-C153 PolarHBondContact O-N 3.22Å; C153-F156 PolarHBondContact O-N 3.25Å; C153-L157 WeakPolarHBondContact O-CB 3Å; C153-L157 VanDerWaalsContact O-CG 3.24Å; C153-L157 WeakPolarHBondContact O-CG 3.41Å; C153-L157 PolarHBondContact O-N 3.15Å
154L81.4Confident78.1Confident78 Ų7861 Ų6141%0.40835%0.345SS..Hα-helixtrans-62-45.8176.3-70.6172.7000111.5L10 G150 F151 M152 F156 L157 T158L10-L154 HydrophobicContact CD1-CD1 4.5Å; G150-L154 WeakPolarHBondContact O-CG 3.48Å; G150-L154 PolarHBondContact O-N 3.49Å; F151-L154 PolarHBondContact O-N 3.44Å; M152-L154 VanDerWaalsContact C-N 3.35Å; M152-L154 PolarHBondContact O-N 3.03Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3.39Å; L154-L157 PolarHBondContact O-N 3.1Å; L154-T158 WeakPolarHBondContact O-CG2 3.35Å; L154-T158 PolarHBondContact O-N 3.1Å
155A83.5Confident78.1Confident4 Ų462 Ų623%0.03335%0.351CS..Hα-helixtrans-59.6-44.517500000111.9I121 A124 F151 M152 L157 T158 G159I121-A155 HydrophobicContact CD1-CB 3.83Å; A124-A155 HydrophobicContact CB-CB 3.61Å; F151-A155 PolarHBondContact O-N 3.26Å; M152-A155 PolarHBondContact O-N 3.12Å; A155-L157 PolarHBondContact O-N 2.92Å; A155-T158 PolarHBondContact O-N 2.93Å; A155-T158 PolarHBondContact O-OG1 3.22Å; A155-G159 PolarHBondContact O-N 3.46Å
156F83.6Confident77.4Confident112 Ų11267.4 Ų67.449%0.49136%0.364SS..Hα-helixtrans-63.5-42.6178.3-166.5-109.8000112.3M152 C153 L154 T158 G159 L160 F177M152-F156 WeakPolarHBondContact O-CB 3.39Å; M152-F156 PolarHBondContact O-N 2.88Å; C153-F156 PolarHBondContact O-N 3.25Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3.39Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.62Å; F156-G159 PolarHBondContact O-N 3.3Å; F156-G159 VanDerWaalsContact O-N 3.1Å; F156-L160 HydrophobicContact CD1-CD1 3.64Å; F156-L160 HydrophobicContact CD1-CG 3.93Å; F156-L160 HydrophobicContact CE1-CD1 3.48Å; F156-L160 VanDerWaalsContact CE1-CD1 3.48Å; F156-L160 HydrophobicContact CE1-CD2 3.97Å; F156-L160 HydrophobicContact CE1-CG 3.73Å; F156-L160 HydrophobicContact CZ-CD1 4.42Å; F156-L160 HydrophobicContact CZ-CD2 4.1Å; F156-L160 HydrophobicContact CZ-CG 4.24Å; F156-L160 PolarHBondContact O-N 2.75Å; F156-F177 AromaticContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CZ 4.26Å; F156-F177 HydrophobicContact CE2-CE2 4.12Å
157L82.6Confident76.5Confident87 Ų8769.4 Ų69.446%0.45536%0.362SS..Hα-helixtrans-60.9-36.7175.5-72.9171.4000112.3C153 L154 A155 G159 L160 N161C153-L157 WeakPolarHBondContact O-CB 3Å; C153-L157 VanDerWaalsContact O-CG 3.24Å; C153-L157 WeakPolarHBondContact O-CG 3.41Å; C153-L157 PolarHBondContact O-N 3.15Å; L154-L157 PolarHBondContact O-N 3.1Å; A155-L157 PolarHBondContact O-N 2.92Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.44Å; L157-L160 HydrophobicContact CD2-CD1 4.41Å; L157-L160 PolarHBondContact O-N 2.73Å; L157-N161 WeakPolarHBondContact O-CB 2.88Å; L157-N161 VanDerWaalsContact O-CG 3.26Å; L157-N161 PolarHBondContact O-N 3.21Å; L157-N161 PolarHBondContact O-ND2 3.49Å
158T79.7Confident76.1Confident61 Ų6168.8 Ų68.837%0.37436%0.359SS..Hα-helixtrans-64-38.9173.963.10000112.3S120 L154 A155 F156 R162S120-T158 WeakPolarHBondContact CB-OG1 3.36Å; S120-T158 PolarHBondContact OG-OG1 3.25Å; L154-T158 WeakPolarHBondContact O-CG2 3.35Å; L154-T158 PolarHBondContact O-N 3.1Å; A155-T158 PolarHBondContact O-N 2.93Å; A155-T158 PolarHBondContact O-OG1 3.22Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.62Å; T158-R162 WeakPolarHBondContact O-CG 3.15Å; T158-R162 PolarHBondContact O-N 2.83Å
159G76.1Confident75.7Confident0 Ų070.6 Ų70.60%036%0.363CS..Hα-helixtrans-66.3-45.1173.700000112.3A155 F156 L157 N161 R162 V163A155-G159 PolarHBondContact O-N 3.46Å; F156-G159 PolarHBondContact O-N 3.3Å; F156-G159 VanDerWaalsContact O-N 3.1Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.44Å; G159-N161 VanDerWaalsContact C-N 3.35Å; G159-N161 PolarHBondContact O-N 2.8Å; G159-R162 WeakPolarHBondContact O-CB 3.31Å; G159-R162 PolarHBondContact O-N 3.49Å; G159-R162 VanDerWaalsContact O-N 3.13Å; G159-V163 PolarHBondContact O-N 3.43Å
160L78.3Confident75.4Confident83 Ų8374.3 Ų74.344%0.43537%0.369SS..Hα-helixtrans-61.1-41.6176.2-72.1-179.1000112.3F156 L157 R162 V163 A164F156-L160 HydrophobicContact CD1-CD1 3.64Å; F156-L160 HydrophobicContact CD1-CG 3.93Å; F156-L160 HydrophobicContact CE1-CD1 3.48Å; F156-L160 VanDerWaalsContact CE1-CD1 3.48Å; F156-L160 HydrophobicContact CE1-CD2 3.97Å; F156-L160 HydrophobicContact CE1-CG 3.73Å; F156-L160 HydrophobicContact CZ-CD1 4.42Å; F156-L160 HydrophobicContact CZ-CD2 4.1Å; F156-L160 HydrophobicContact CZ-CG 4.24Å; F156-L160 PolarHBondContact O-N 2.75Å; L157-L160 HydrophobicContact CD2-CD1 4.41Å; L157-L160 PolarHBondContact O-N 2.73Å; L160-R162 PolarHBondContact O-N 3.38Å; L160-V163 PolarHBondContact O-N 3.13Å; L160-V163 VanDerWaalsContact O-N 3.12Å; L160-A164 WeakPolarHBondContact O-CB 3.18Å; L160-A164 PolarHBondContact O-N 3.03Å
161N77.1Confident75.2Confident90 Ų9075.9 Ų75.948%0.48138%0.375SS..Hα-helixtrans-60.5-34.9175.7-78.3-24000111.8L157 G159 A164 E165L157-N161 WeakPolarHBondContact O-CB 2.88Å; L157-N161 VanDerWaalsContact O-CG 3.26Å; L157-N161 PolarHBondContact O-N 3.21Å; L157-N161 PolarHBondContact O-ND2 3.49Å; G159-N161 VanDerWaalsContact C-N 3.35Å; G159-N161 PolarHBondContact O-N 2.8Å; N161-A164 PolarHBondContact O-N 3.34Å; N161-E165 WeakPolarHBondContact O-CB 3.41Å; N161-E165 WeakPolarHBondContact O-CG 3.44Å; N161-E165 PolarHBondContact O-N 3.4Å
162R73.1Confident74.9Confident56 Ų5675.3 Ų75.321%0.21137%0.373CS..Hα-helixtrans-69.4-33.7175.4-71.5-6898.2107.1-0.2113.3T158 G159 L160 E165 R167 V173T158-R162 WeakPolarHBondContact O-CG 3.15Å; T158-R162 PolarHBondContact O-N 2.83Å; G159-R162 WeakPolarHBondContact O-CB 3.31Å; G159-R162 PolarHBondContact O-N 3.49Å; G159-R162 VanDerWaalsContact O-N 3.13Å; L160-R162 PolarHBondContact O-N 3.38Å; R162-E165 IonicContact CZ-OE2 3.32Å; R162-E165 IonicContact NE-OE2 3.19Å; R162-E165 PolarHBondContact NE-OE2 3.18Å; R162-E165 IonicContact NH2-OE1 3.3Å; R162-E165 PolarHBondContact NH2-OE1 2.86Å; R162-E165 IonicContact NH2-OE2 2.71Å; R162-E165 PolarHBondContact NH2-OE2 3.32Å; R162-R167 PolarHBondContact O-N 2.87Å; R162-V173 HydrophobicContact CB-CG2 4.49Å
163V73.6Confident74.7Confident50 Ų5072.9 Ų72.930%0.30336%0.361SS..Hα-helixtrans-71.9-42.8172.2-176.30000110.6G159 L160 E165 Y166 W170 V173G159-V163 PolarHBondContact O-N 3.43Å; L160-V163 PolarHBondContact O-N 3.13Å; L160-V163 VanDerWaalsContact O-N 3.12Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 3.45Å; V163-Y166 PolarHBondContact O-N 3.37Å; V163-W170 HydrophobicContact CG1-CB 4.47Å; V163-W170 HydrophobicContact CG2-CB 4.47Å; V163-V173 HydrophobicContact CG2-CB 4.32Å; V163-V173 HydrophobicContact CG2-CG2 3.77Å
164A69.6Low74.7Confident71 Ų7174.9 Ų74.959%0.58737%0.367SS*.Hα-helixtrans-64-33.4179.800000112.8L160 N161 Y166L160-A164 WeakPolarHBondContact O-CB 3.18Å; L160-A164 PolarHBondContact O-N 3.03Å; N161-A164 PolarHBondContact O-N 3.34Å; A164-Y166 PolarHBondContact O-N 2.88Å
165E69.3Low74.8Confident94 Ų9472.2 Ų72.244%0.43936%0.356SS..THydrogen-bonded Turntrans-79.86.4173.3-72.2173.8-174.700113.6N161 R162 V163 R167N161-E165 WeakPolarHBondContact O-CB 3.41Å; N161-E165 WeakPolarHBondContact O-CG 3.44Å; N161-E165 PolarHBondContact O-N 3.4Å; R162-E165 IonicContact CZ-OE2 3.32Å; R162-E165 IonicContact NE-OE2 3.19Å; R162-E165 PolarHBondContact NE-OE2 3.18Å; R162-E165 IonicContact NH2-OE1 3.3Å; R162-E165 PolarHBondContact NH2-OE1 2.86Å; R162-E165 IonicContact NH2-OE2 2.71Å; R162-E165 PolarHBondContact NH2-OE2 3.32Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 3.45Å; E165-R167 HydrophobicContact CB-CG 4.11Å; E165-R167 PolarHBondContact O-N 3.42Å; E165-R167 IonicContact OE2-CZ 3.61Å; E165-R167 IonicContact OE2-NE 3.65Å; E165-R167 IonicContact OE2-NH1 3.58Å
166Y59.9Low74.9Confident184 Ų18472 Ų7272%0.72235%0.354SS*.THydrogen-bonded Turntrans53.123.2-176.8-76.2-90.4000114.5V163 A164V163-Y166 PolarHBondContact O-N 3.37Å; A164-Y166 PolarHBondContact O-N 2.88Å
167R60.7Low75.1Confident127 Ų12767.9 Ų67.948%0.47934%0.336SS..SBendtrans-80.9-27.4-178.1-73.6-168.7176.8167.12.3113.1Y71 R162 E165Y71-R167 WeakPolarHBondContact CD1-O 3.33Å; Y71-R167 VanDerWaalsContact CE1-O 3.22Å; Y71-R167 WeakPolarHBondContact CE1-O 3.38Å; R162-R167 PolarHBondContact O-N 2.87Å; E165-R167 HydrophobicContact CB-CG 4.11Å; E165-R167 PolarHBondContact O-N 3.42Å; E165-R167 IonicContact OE2-CZ 3.61Å; E165-R167 IonicContact OE2-NE 3.65Å; E165-R167 IonicContact OE2-NH1 3.58Å
168N62.1Low75.3Confident23 Ų2369 Ų6912%0.12334%0.342CS..SBendtrans-138.3151-178.5-75.181000109.7T111 D172 V173T111-N168 WeakPolarHBondContact CG2-ND2 3.25Å; T111-N168 PolarHBondContact O-ND2 3.16Å; T111-N168 VanDerWaalsContact O-ND2 3.15Å; N168-D172 HydrophobicContact CB-CB 4.25Å; N168-V173 HydrophobicContact CB-CG2 4.02Å
169H71.3Confident75.7Confident80 Ų8068.4 Ų68.437%0.3734%0.335SS..  trans-66.3141.8162.8-74.1-68.1000108.8S171 D172 V173H169-S171 PolarHBondContact O-N 2.9Å; H169-S171 VanDerWaalsContact O-N 3.1Å; H169-D172 PolarHBondContact N-OD2 2.58Å; H169-D172 WeakPolarHBondContact O-CB 3.16Å; H169-D172 PolarHBondContact O-N 2.77Å; H169-V173 PolarHBondContact O-N 3.36Å
170W73.4Confident76.3Confident189 Ų18968.4 Ų68.472%0.71634%0.335SS*.Hα-helixtrans-38.8-39.5161.647.4-18.5000114.2V163 V173 I174V163-W170 HydrophobicContact CG1-CB 4.47Å; V163-W170 HydrophobicContact CG2-CB 4.47Å; W170-V173 PolarHBondContact O-N 3.34Å; W170-I174 VanDerWaalsContact O-CG1 3.29Å; W170-I174 WeakPolarHBondContact O-CG1 3.43Å; W170-I174 PolarHBondContact O-N 3.26Å
171S76.3Confident76.9Confident67 Ų6767.5 Ų67.547%0.46933%0.33SS..Hα-helixtrans-62.4-41.3174.3-172.30000113.3H169 V173 I174 A175H169-S171 PolarHBondContact O-N 2.9Å; H169-S171 VanDerWaalsContact O-N 3.1Å; S171-V173 VanDerWaalsContact C-N 3.3Å; S171-V173 PolarHBondContact O-N 3.41Å; S171-I174 PolarHBondContact O-N 3.07Å; S171-A175 WeakPolarHBondContact O-CB 3.22Å; S171-A175 PolarHBondContact O-N 3.23Å
172D76.3Confident77.5Confident8 Ų866 Ų664%0.04333%0.33CS..Hα-helixtrans-67.3-33.1179.7-43.9-24.1000111.8F112 S114 N168 H169 G176F112-D172 HydrophobicContact CD2-CB 4.37Å; F112-D172 WeakPolarHBondContact CD2-OD1 3.28Å; S114-D172 WeakPolarHBondContact CB-O 3.47Å; S114-D172 PolarHBondContact N-O 3.49Å; S114-D172 VanDerWaalsContact N-O 3.09Å; N168-D172 HydrophobicContact CB-CB 4.25Å; H169-D172 PolarHBondContact N-OD2 2.58Å; H169-D172 WeakPolarHBondContact O-CB 3.16Å; H169-D172 PolarHBondContact O-N 2.77Å; D172-G176 PolarHBondContact O-N 3.43Å
173V78.4Confident78.4Confident6 Ų664.1 Ų64.14%0.03632%0.324CS..Hα-helixtrans-71.1-44.1176.3176.30000110.4A117 R162 V163 N168 H169 W170 S171 G176 F177A117-V173 HydrophobicContact CB-CG1 4Å; R162-V173 HydrophobicContact CB-CG2 4.49Å; V163-V173 HydrophobicContact CG2-CB 4.32Å; V163-V173 HydrophobicContact CG2-CG2 3.77Å; N168-V173 HydrophobicContact CB-CG2 4.02Å; H169-V173 PolarHBondContact O-N 3.36Å; W170-V173 PolarHBondContact O-N 3.34Å; S171-V173 VanDerWaalsContact C-N 3.3Å; S171-V173 PolarHBondContact O-N 3.41Å; V173-G176 PolarHBondContact O-N 2.82Å; V173-F177 HydrophobicContact CG1-CD2 4.12Å; V173-F177 HydrophobicContact CG1-CE2 3.7Å; V173-F177 HydrophobicContact CG1-CZ 3.98Å; V173-F177 WeakPolarHBondContact O-CG 3.41Å; V173-F177 PolarHBondContact O-N 3.35Å
174I83.2Confident79.1Confident102 Ų10261.8 Ų61.852%0.52331%0.31SS..Hα-helixtrans-61.9-46.6175.2-66164000110.3W170 S171 G176 F177 I178W170-I174 VanDerWaalsContact O-CG1 3.29Å; W170-I174 WeakPolarHBondContact O-CG1 3.43Å; W170-I174 PolarHBondContact O-N 3.26Å; S171-I174 PolarHBondContact O-N 3.07Å; I174-G176 VanDerWaalsContact C-N 3.32Å; I174-G176 PolarHBondContact O-N 3.12Å; I174-F177 PolarHBondContact O-N 2.76Å; I174-F177 VanDerWaalsContact O-N 3.14Å; I174-I178 HydrophobicContact CG2-CG1 4.43Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 3.32Å
175A83.7Confident79.9Confident22 Ų2262 Ų6218%0.18230%0.304CS..Hα-helixtrans-59.3-43.4176.600000111.8F112 P113 S171 F177 I178 I179F112-A175 HydrophobicContact CE1-CB 4.24Å; F112-A175 HydrophobicContact CE2-CB 4.18Å; F112-A175 HydrophobicContact CZ-CB 3.69Å; P113-A175 HydrophobicContact CB-CB 4.12Å; S171-A175 WeakPolarHBondContact O-CB 3.22Å; S171-A175 PolarHBondContact O-N 3.23Å; A175-F177 PolarHBondContact O-N 3.19Å; A175-I178 PolarHBondContact O-N 3Å; A175-I179 VanDerWaalsContact O-CG1 3.32Å; A175-I179 WeakPolarHBondContact O-CG1 3.15Å; A175-I179 PolarHBondContact O-N 3.39Å
176G84.3Confident80.8Confident0 Ų063.9 Ų63.90%031%0.311CS..Hα-helixtrans-58.3-45.1173.200000112.4A118 D172 V173 I174 I179 G180A118-G176 VanDerWaalsContact CA-O 3.26Å; A118-G176 WeakPolarHBondContact CA-O 3.35Å; A118-G176 VanDerWaalsContact CB-O 3.29Å; A118-G176 WeakPolarHBondContact CB-O 3.14Å; D172-G176 PolarHBondContact O-N 3.43Å; V173-G176 PolarHBondContact O-N 2.82Å; I174-G176 VanDerWaalsContact C-N 3.32Å; I174-G176 PolarHBondContact O-N 3.12Å; G176-I179 PolarHBondContact O-N 2.97Å; G176-G180 PolarHBondContact O-N 3.26Å
177F87.4Confident82.1Confident25 Ų2555.4 Ų55.411%0.1128%0.278CS..Hα-helixtrans-61.5-45176.1-72.4-27.4000112.7A117 I121 F156 V173 I174 A175 I179 G180 M181A117-F177 HydrophobicContact CB-CD1 4Å; A117-F177 HydrophobicContact CB-CE1 3.87Å; A117-F177 WeakPolarHBondContact O-CD1 3.15Å; A117-F177 WeakPolarHBondContact O-CE1 3.36Å; I121-F177 HydrophobicContact CB-CD1 3.77Å; I121-F177 HydrophobicContact CB-CE1 4.23Å; I121-F177 HydrophobicContact CG1-CD1 4.3Å; I121-F177 HydrophobicContact CG2-CD1 4.02Å; F156-F177 AromaticContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CZ 4.26Å; F156-F177 HydrophobicContact CE2-CE2 4.12Å; V173-F177 HydrophobicContact CG1-CD2 4.12Å; V173-F177 HydrophobicContact CG1-CE2 3.7Å; V173-F177 HydrophobicContact CG1-CZ 3.98Å; V173-F177 WeakPolarHBondContact O-CG 3.41Å; V173-F177 PolarHBondContact O-N 3.35Å; I174-F177 PolarHBondContact O-N 2.76Å; I174-F177 VanDerWaalsContact O-N 3.14Å; A175-F177 PolarHBondContact O-N 3.19Å; F177-I179 VanDerWaalsContact C-N 3.35Å; F177-I179 PolarHBondContact O-N 3.41Å; F177-G180 PolarHBondContact O-N 3.5Å; F177-M181 VanDerWaalsContact O-CB 3.27Å; F177-M181 WeakPolarHBondContact O-CB 3.4Å; F177-M181 WeakPolarHBondContact O-CG 3.32Å; F177-M181 PolarHBondContact O-N 2.81Å
178I88.6Confident83.1Confident112 Ų11251.3 Ų51.357%0.57427%0.267SS*.Hα-helixtrans-60.9-44.3178.6-64.3-61.3000111.3I174 A175 M181 A182I174-I178 HydrophobicContact CG2-CG1 4.43Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 3.32Å; A175-I178 PolarHBondContact O-N 3Å; I178-M181 PolarHBondContact O-N 3.42Å; I178-A182 WeakPolarHBondContact O-CB 3.44Å; I178-A182 PolarHBondContact O-N 3.37Å
179I88.3Confident84Confident47 Ų4754.3 Ų54.324%0.24129%0.286CS..Hα-helixtrans-63.9-48.9178.9-66.6165.6000110.9F57 V58 P113 A175 G176 F177 M181 A182 I183F57-I179 HydrophobicContact CB-CG2 4.38Å; V58-I179 HydrophobicContact CG2-CG2 4.41Å; P113-I179 HydrophobicContact CB-CD1 3.96Å; P113-I179 HydrophobicContact CG-CD1 3.58Å; A175-I179 VanDerWaalsContact O-CG1 3.32Å; A175-I179 WeakPolarHBondContact O-CG1 3.15Å; A175-I179 PolarHBondContact O-N 3.39Å; G176-I179 PolarHBondContact O-N 2.97Å; F177-I179 VanDerWaalsContact C-N 3.35Å; F177-I179 PolarHBondContact O-N 3.41Å; I179-M181 PolarHBondContact O-N 3.11Å; I179-A182 PolarHBondContact O-N 2.86Å; I179-I183 HydrophobicContact CG2-CD1 3.81Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 2.92Å
180G87.8Confident84.4Confident0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-62.7-41.1179.400000112.6G176 F177 A184G176-G180 PolarHBondContact O-N 3.26Å; F177-G180 PolarHBondContact O-N 3.5Å; G180-A184 VanDerWaalsContact O-CB 3.23Å; G180-A184 WeakPolarHBondContact O-CB 3.38Å; G180-A184 PolarHBondContact O-N 2.78Å
181M90.6Very high84.4Confident65 Ų6545.3 Ų45.332%0.3226%0.259SS..Hα-helixtrans-61.6-48.6173.9-70.5-74.4-54.600111.4I121 L125 M152 F177 I178 I179 I183 A184 T185I121-M181 HydrophobicContact CD1-SD 3.91Å; I121-M181 HydrophobicContact CG1-CG 3.75Å; I121-M181 HydrophobicContact CG1-SD 3.42Å; I121-M181 WeakPolarHBondContact CG1-SD 3.09Å; I121-M181 HydrophobicContact CG2-CG 4.47Å; L125-M181 HydrophobicContact CD1-CB 4.49Å; L125-M181 HydrophobicContact CD1-CE 3.78Å; L125-M181 HydrophobicContact CD1-CG 4.37Å; L125-M181 HydrophobicContact CD1-SD 3.3Å; L125-M181 WeakPolarHBondContact CD1-SD 3.25Å; L125-M181 HydrophobicContact CD2-CE 4.24Å; L125-M181 HydrophobicContact CD2-SD 4.13Å; L125-M181 HydrophobicContact CG-CE 4.49Å; L125-M181 HydrophobicContact CG-SD 3.87Å; M152-M181 HydrophobicContact CE-SD 4.34Å; F177-M181 VanDerWaalsContact O-CB 3.27Å; F177-M181 WeakPolarHBondContact O-CB 3.4Å; F177-M181 WeakPolarHBondContact O-CG 3.32Å; F177-M181 PolarHBondContact O-N 2.81Å; I178-M181 PolarHBondContact O-N 3.42Å; I179-M181 PolarHBondContact O-N 3.11Å; M181-I183 PolarHBondContact O-N 3.48Å; M181-A184 PolarHBondContact O-N 3.25Å; M181-T185 WeakPolarHBondContact O-CB 3.27Å; M181-T185 PolarHBondContact O-N 3.21Å; M181-T185 PolarHBondContact O-OG1 3.32Å
182A90.7Very high84Confident58 Ų5843.6 Ų43.648%0.47925%0.245SC..Hα-helixtrans-60.1-45.1-178.700000112I178 I179 T185 F186I178-A182 WeakPolarHBondContact O-CB 3.44Å; I178-A182 PolarHBondContact O-N 3.37Å; I179-A182 PolarHBondContact O-N 2.86Å; A182-T185 PolarHBondContact O-N 2.87Å; A182-F186 VanDerWaalsContact O-CB 3.32Å; A182-F186 WeakPolarHBondContact O-CB 3.46Å; A182-F186 PolarHBondContact O-N 3.04Å
183I90.2Very high83.5Confident16 Ų1649.9 Ų49.98%0.08228%0.275CS..Hα-helixtrans-68.6-42.4179.1-64.6168.6000110.9T53 V54 F57 I179 M181 F186 L187T53-I183 HydrophobicContact CG2-CD1 4.39Å; T53-I183 HydrophobicContact CG2-CG2 4Å; V54-I183 HydrophobicContact CB-CD1 4.22Å; V54-I183 HydrophobicContact CG2-CB 3.9Å; V54-I183 HydrophobicContact CG2-CD1 3.75Å; V54-I183 HydrophobicContact CG2-CG1 4.43Å; V54-I183 HydrophobicContact CG2-CG2 3.65Å; F57-I183 HydrophobicContact CB-CD1 4.05Å; F57-I183 HydrophobicContact CD2-CD1 3.86Å; F57-I183 HydrophobicContact CG-CD1 4.13Å; I179-I183 HydrophobicContact CG2-CD1 3.81Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 2.92Å; M181-I183 PolarHBondContact O-N 3.48Å; I183-F186 PolarHBondContact O-N 3.05Å; I183-L187 HydrophobicContact CG2-CD1 3.85Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CB 3.34Å; I183-L187 WeakPolarHBondContact O-CG 3.28Å; I183-L187 PolarHBondContact O-N 3.49Å
184A89.1Confident82.8Confident2 Ų254.4 Ų54.42%0.01730%0.298CS..Hα-helixtrans-60.4-46.217500000111.6Y122 L125 G180 M181 L187 V188Y122-A184 HydrophobicContact CD2-CB 3.78Å; Y122-A184 HydrophobicContact CE2-CB 4.35Å; L125-A184 HydrophobicContact CB-CB 3.97Å; L125-A184 HydrophobicContact CD1-CB 3.44Å; L125-A184 VanDerWaalsContact CD1-CB 3.44Å; L125-A184 HydrophobicContact CG-CB 4.4Å; G180-A184 VanDerWaalsContact O-CB 3.23Å; G180-A184 WeakPolarHBondContact O-CB 3.38Å; G180-A184 PolarHBondContact O-N 2.78Å; M181-A184 PolarHBondContact O-N 3.25Å; A184-L187 PolarHBondContact O-N 3Å; A184-V188 WeakPolarHBondContact O-CB 3.45Å; A184-V188 VanDerWaalsContact O-CG2 3.25Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 3.22Å
185T87.3Confident81.7Confident74 Ų7453.5 Ų53.545%0.45429%0.291SS..Hα-helixtrans-63.3-44.7176.8-58.70000111.3M181 A182 L187 V188 V189M181-T185 WeakPolarHBondContact O-CB 3.27Å; M181-T185 PolarHBondContact O-N 3.21Å; M181-T185 PolarHBondContact O-OG1 3.32Å; A182-T185 PolarHBondContact O-N 2.87Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 2.99Å; T185-V188 PolarHBondContact O-N 3.03Å; T185-V189 HydrophobicContact CG2-CG2 4.1Å; T185-V189 WeakPolarHBondContact O-CB 3.43Å; T185-V189 VanDerWaalsContact O-CG2 3.29Å; T185-V189 WeakPolarHBondContact O-CG2 3.3Å; T185-V189 PolarHBondContact O-N 3.11Å
186F88.3Confident80.5Confident134 Ų13457.8 Ų57.859%0.58831%0.305SS*.Hα-helixtrans-57-47.7175.7175.9-100.1000111.4A182 I183 C190A182-F186 VanDerWaalsContact O-CB 3.32Å; A182-F186 WeakPolarHBondContact O-CB 3.46Å; A182-F186 PolarHBondContact O-N 3.04Å; I183-F186 PolarHBondContact O-N 3.05Å; F186-C190 WeakPolarHBondContact CE2-SG 3.28Å; F186-C190 WeakPolarHBondContact O-CB 3.08Å; F186-C190 PolarHBondContact O-N 2.94Å; F186-C190 PolarHBondContact O-SG 2.71Å; F186-C190 VanDerWaalsContact O-SG 3.34Å
187L86.1Confident78.7Confident6 Ų659.4 Ų59.43%0.03132%0.322CS..Hα-helixtrans-67.6-42.3178.9-72.9166.4000112.4F49 Y122 I183 A184 T185 V191F49-L187 HydrophobicContact CD1-CD2 3.86Å; F49-L187 HydrophobicContact CE1-CD2 3.91Å; Y122-L187 HydrophobicContact CE2-CD1 3.75Å; I183-L187 HydrophobicContact CG2-CD1 3.85Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CB 3.34Å; I183-L187 WeakPolarHBondContact O-CG 3.28Å; I183-L187 PolarHBondContact O-N 3.49Å; A184-L187 PolarHBondContact O-N 3Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 2.99Å; L187-V191 HydrophobicContact CD2-CG2 3.95Å; L187-V191 WeakPolarHBondContact O-CA 3.22Å; L187-V191 WeakPolarHBondContact O-CB 3.48Å; L187-V191 VanDerWaalsContact O-CG2 3.25Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 3.3Å
188V82Confident77Confident41 Ų4164.9 Ų64.925%0.24835%0.346CS..Iπ-helixtrans-63.3-48.2177.41710000110.2M129 A184 T185 V192M129-V188 HydrophobicContact CG-CG1 4.27Å; M129-V188 HydrophobicContact CG-CG2 4.26Å; A184-V188 WeakPolarHBondContact O-CB 3.45Å; A184-V188 VanDerWaalsContact O-CG2 3.25Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 3.22Å; T185-V188 PolarHBondContact O-N 3.03Å; V188-V192 HydrophobicContact CG1-CG2 4.22Å; V188-V192 WeakPolarHBondContact O-CA 3.36Å; V188-V192 WeakPolarHBondContact O-CB 3.1Å; V188-V192 WeakPolarHBondContact O-CG2 3.09Å; V188-V192 PolarHBondContact O-N 3.36Å
189V81.9Confident75.2Confident87 Ų8765 Ų6553%0.52735%0.347SS..Iπ-helixtrans-66.8-54.4-179.8175.40000110.4T185 H193T185-V189 HydrophobicContact CG2-CG2 4.1Å; T185-V189 WeakPolarHBondContact O-CB 3.43Å; T185-V189 VanDerWaalsContact O-CG2 3.29Å; T185-V189 WeakPolarHBondContact O-CG2 3.3Å; T185-V189 PolarHBondContact O-N 3.11Å; V189-H193 WeakPolarHBondContact O-CB 3.21Å; V189-H193 PolarHBondContact O-N 3.19Å; V189-H193 VanDerWaalsContact O-N 3.11Å
190C79.3Confident73.4Confident46 Ų4668.2 Ų68.231%0.31136%0.364SS..Iπ-helixtrans-68.1-46.6-175.9-65.10000111.8F186 N194F186-C190 WeakPolarHBondContact CE2-SG 3.28Å; F186-C190 WeakPolarHBondContact O-CB 3.08Å; F186-C190 PolarHBondContact O-N 2.94Å; F186-C190 PolarHBondContact O-SG 2.71Å; F186-C190 VanDerWaalsContact O-SG 3.34Å; C190-N194 WeakPolarHBondContact O-CB 3.11Å; C190-N194 PolarHBondContact O-N 3.3Å; C190-N194 PolarHBondContact O-ND2 3.39Å
191V73.8Confident71.6Confident34 Ų3475 Ų7521%0.20640%0.399CS..Iπ-helixtrans-78.3-45.5-173.7-175.90000111.2V46 L187 F195V46-V191 HydrophobicContact CB-CG1 4.49Å; V46-V191 HydrophobicContact CG1-CB 4.27Å; V46-V191 HydrophobicContact CG1-CG1 3.82Å; V46-V191 HydrophobicContact CG1-CG2 4.18Å; V46-V191 HydrophobicContact CG2-CG1 3.78Å; L187-V191 HydrophobicContact CD2-CG2 3.95Å; L187-V191 WeakPolarHBondContact O-CA 3.22Å; L187-V191 WeakPolarHBondContact O-CB 3.48Å; L187-V191 VanDerWaalsContact O-CG2 3.25Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 3.3Å; V191-F195 HydrophobicContact CG1-CD2 3.53Å; V191-F195 HydrophobicContact CG1-CE2 3.32Å; V191-F195 WeakPolarHBondContact O-CB 3.34Å; V191-F195 WeakPolarHBondContact O-CD2 3.15Å; V191-F195 PolarHBondContact O-N 3.4Å
192V67.1Low69.3Low30 Ų3078 Ų7818%0.18242%0.417CS..Iπ-helixtrans-76.7-37-174.4-171.50000111.3M129 F133 V188 F195 K196M129-V192 HydrophobicContact CE-CB 4.04Å; M129-V192 HydrophobicContact CE-CG1 3.55Å; M129-V192 HydrophobicContact CE-CG2 3.27Å; F133-V192 HydrophobicContact CE2-CG1 4.49Å; F133-V192 HydrophobicContact CZ-CG1 4.21Å; V188-V192 HydrophobicContact CG1-CG2 4.22Å; V188-V192 WeakPolarHBondContact O-CA 3.36Å; V188-V192 WeakPolarHBondContact O-CB 3.1Å; V188-V192 WeakPolarHBondContact O-CG2 3.09Å; V188-V192 PolarHBondContact O-N 3.36Å; V192-F195 PolarHBondContact O-N 3.3Å; V192-K196 PolarHBondContact O-N 2.03Å
193H65.6Low66.9Low141 Ų14182.7 Ų82.765%0.65343%0.429SS*.Hα-helixtrans-68.2-39175-160.9-87.3000111.3V189 K196 G197V189-H193 WeakPolarHBondContact O-CB 3.21Å; V189-H193 PolarHBondContact O-N 3.19Å; V189-H193 VanDerWaalsContact O-N 3.11Å; H193-K196 PolarHBondContact O-N 3.16Å; H193-G197 PolarHBondContact O-N 3.29Å
194N64Low64.3Low100 Ų10088.7 Ų88.754%0.53546%0.461SS..Hα-helixtrans-65.6-37.7172.9-84.9-82.3000112.2C190 G197 K198C190-N194 WeakPolarHBondContact O-CB 3.11Å; C190-N194 PolarHBondContact O-N 3.3Å; C190-N194 PolarHBondContact O-ND2 3.39Å; N194-G197 PolarHBondContact O-N 3.25Å; N194-K198 WeakPolarHBondContact O-CG 3.12Å; N194-K198 PolarHBondContact O-N 3.35Å
195F60Low61.5Low83 Ų8393 Ų9336%0.36449%0.492SS..Hα-helixtrans-68.1-39.9174.7-83.5-59.9000112.9R42 V46 V191 V192 K198 L199R42-F195 HydrophobicContact CG-CZ 4.07Å; V46-F195 HydrophobicContact CG2-CE2 4.44Å; V191-F195 HydrophobicContact CG1-CD2 3.53Å; V191-F195 HydrophobicContact CG1-CE2 3.32Å; V191-F195 WeakPolarHBondContact O-CB 3.34Å; V191-F195 WeakPolarHBondContact O-CD2 3.15Å; V191-F195 PolarHBondContact O-N 3.4Å; V192-F195 PolarHBondContact O-N 3.3Å; F195-K198 PolarHBondContact O-N 2.82Å; F195-L199 VanDerWaalsContact O-CB 3.31Å; F195-L199 WeakPolarHBondContact O-CB 3.46Å; F195-L199 PolarHBondContact O-N 3.32Å
196K57.9Low59Low112 Ų11294.9 Ų94.949%0.48751%0.505SS..Hα-helixtrans-63.3-43.8172.6-80.3-172.9172.9-1720111.5V192 H193 K198 L199 L200V192-K196 PolarHBondContact O-N 2.03Å; H193-K196 PolarHBondContact O-N 3.16Å; K196-K198 VanDerWaalsContact C-N 3.33Å; K196-K198 PolarHBondContact O-N 3.41Å; K196-L199 PolarHBondContact O-N 3.4Å; K196-L200 WeakPolarHBondContact O-CG 3.47Å; K196-L200 PolarHBondContact O-N 2.83Å
197G47.4Very low56.4Low34 Ų3492.9 Ų92.935%0.35151%0.513SS..Hα-helixtrans-60-40.417600000113H193 N194 L201H193-G197 PolarHBondContact O-N 3.29Å; N194-G197 PolarHBondContact O-N 3.25Å; G197-L201 WeakPolarHBondContact O-CB 3.26Å; G197-L201 PolarHBondContact O-N 3.32Å; G197-L201 VanDerWaalsContact O-N 3.08Å
198K50.5Low53.7Low141 Ų141101.2 Ų101.261%0.61355%0.552SS**Hα-helixtrans-75.2-27.1174.9-71.3-168.6179.2-170.70114.3N194 F195 K196 N202N194-K198 WeakPolarHBondContact O-CG 3.12Å; N194-K198 PolarHBondContact O-N 3.35Å; F195-K198 PolarHBondContact O-N 2.82Å; K196-K198 VanDerWaalsContact C-N 3.33Å; K196-K198 PolarHBondContact O-N 3.41Å; K198-N202 PolarHBondContact O-N 3.04Å; K198-N202 PolarHBondContact O-ND2 3.15Å
199L51.7Low51.2Low115 Ų115104.8 Ų104.860%0.60258%0.576SS**Hα-helixtrans-73.7-44.4175-162.195.3000110.4F195 K196 N202 E203F195-L199 VanDerWaalsContact O-CB 3.31Å; F195-L199 WeakPolarHBondContact O-CB 3.46Å; F195-L199 PolarHBondContact O-N 3.32Å; K196-L199 PolarHBondContact O-N 3.4Å; L199-N202 PolarHBondContact O-N 2.72Å; L199-N202 VanDerWaalsContact O-N 3.15Å; L199-E203 PolarHBondContact O-N 3.03Å
200L50.5Low48.9Very low114 Ų114108.6 Ų108.660%0.59759%0.588SS**Hα-helixtrans-67.2-36.2176.5-65.2-171000112.3K196 N202 E203K196-L200 WeakPolarHBondContact O-CG 3.47Å; K196-L200 PolarHBondContact O-N 2.83Å; L200-N202 VanDerWaalsContact C-N 3.27Å; L200-N202 PolarHBondContact O-N 3.16Å; L200-E203 PolarHBondContact O-N 3.41Å
201L50.5Low46.6Very low141 Ų141112 Ų11274%0.73861%0.609SS**THydrogen-bonded Turntrans-71.1-16.7172-86.3172.8000114.6G197G197-L201 WeakPolarHBondContact O-CB 3.26Å; G197-L201 PolarHBondContact O-N 3.32Å; G197-L201 VanDerWaalsContact O-N 3.08Å
202N40.4Very low44.6Very low130 Ų130117 Ų11770%0.69564%0.635SS**THydrogen-bonded Turntrans-89.7-10.5172-91.2-68000112.8K198 L199 L200K198-N202 PolarHBondContact O-N 3.04Å; K198-N202 PolarHBondContact O-ND2 3.15Å; L199-N202 PolarHBondContact O-N 2.72Å; L199-N202 VanDerWaalsContact O-N 3.15Å; L200-N202 VanDerWaalsContact C-N 3.27Å; L200-N202 PolarHBondContact O-N 3.16Å
203E41.6Very low43.1Very low156 Ų156120.8 Ų120.873%0.72967%0.669SS**SBendtrans-91-2.3177.4-156.4160.892.500112.3L199 L200L199-E203 PolarHBondContact O-N 3.03Å; L200-E203 PolarHBondContact O-N 3.41Å
204D35.5Very low41.5Very low141 Ų141118.8 Ų118.875%0.75468%0.677SS**SBendtrans-113.520.9179.1-116.9-48.8000113.6P206D204-P206 WeakPolarHBondContact O-CD 3.28Å
205S30.2Very low40Very low94 Ų94121.6 Ų121.666%0.65769%0.691SS**  trans-104.4100.7163.5-159.90000108.3A207S205-A207 PolarHBondContact O-N 3.3Å
206P34.3Very low38.6Very low112 Ų112124.6 Ų124.673%0.72771%0.709SS**  trans-59.4124.2162.4-10.224.6000106.4D204 E208D204-P206 WeakPolarHBondContact O-CD 3.28Å; P206-E208 PolarHBondContact O-N 2.78Å
207A34.8Very low37.3Very low92 Ų92125.9 Ų125.976%0.7672%0.722SS**  trans-55.3110.6163.100000107.3S205 P209S205-A207 PolarHBondContact O-N 3.3Å; A207-P209 VanDerWaalsContact O-CD 3.24Å; A207-P209 WeakPolarHBondContact O-CD 3.41Å
208E27.7Very low36.4Very low181 Ų181132.1 Ų132.185%0.84674%0.744SS**  trans-58.4120.9166-104-158.8118.900108.2P206 Q210P206-E208 PolarHBondContact O-N 2.78Å; E208-Q210 PolarHBondContact O-N 3.28Å
209P30.5Very low35.3Very low116 Ų116129.6 Ų129.675%0.75376%0.758SS**  trans-77.8111.1164.5-2.421.7000107.3A207 P211A207-P209 VanDerWaalsContact O-CD 3.24Å; A207-P209 WeakPolarHBondContact O-CD 3.41Å; P209-P211 WeakPolarHBondContact O-CD 3.49Å
210Q33.3Very low34.1Very low167 Ų167131.9 Ų131.978%0.7877%0.765SS**  trans-49.6118.5169.7-167.8-176.6-4.500110.6E208 N212E208-Q210 PolarHBondContact O-N 3.28Å; Q210-N212 PolarHBondContact O-N 2.91Å
211P30.3Very low33.2Very low117 Ų117132.6 Ų132.676%0.7677%0.769SS**  trans-85.3105.5174.72.715.3000109.1P209 A213P209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-A213 PolarHBondContact O-N 3.14Å
212N31.8Very low32.1Very low141 Ų141133.1 Ų133.175%0.75477%0.773SS**  trans-64.9126.8158.4-74.2-25.9000108.5Q210 A214Q210-N212 PolarHBondContact O-N 2.91Å; N212-A214 PolarHBondContact O-N 3.38Å
213A36.2Very low31.8Very low108 Ų108131.1 Ų131.189%0.89377%0.769SS**  trans-59122.8173.700000111.3P211P211-A213 PolarHBondContact O-N 3.14Å
214A31.4Very low31.6Very low100 Ų100129.6 Ų129.683%0.82677%0.772SS**  trans-159.1132.6152.300000110.3N212N212-A214 PolarHBondContact O-N 3.38Å
215I32.8Very low31.8Very low159 Ų159129.8 Ų129.882%0.81577%0.772SS**  trans-80.4140.9-173.2-63.2162.7000110.3
216L32.2Very low32.4Very low145 Ų145133.5 Ų133.576%0.75978%0.78SS**  154.6118.4123.8-105.3113.6000113.6
217N28.8Very low32.6Very low139 Ų139137.1 Ų137.174%0.74378%0.784SS**  70.4131.5129.1-10510.9000124.9
218M29.3Very low32.6Very low165 Ų165142.6 Ų142.681%0.81379%0.786SS**  trans87.383.1136.1-139.186.4145.400117.8
219G27.3Very low33.4Very low89 Ų89140.4 Ų140.492%0.91878%0.779SS**  trans-91.2114.4157.400000110.4
220H27.7Very low34Very low163 Ų163138.7 Ų138.776%0.75578%0.775SS**  trans-123.1139.3168.7-175.5-163000108.2
221L30.4Very low34.4Very low129 Ų129135.5 Ų135.568%0.67577%0.771SS**  trans78.9109.4171.4-106.776.9000118.4
222D28.4Very low34.9Very low152 Ų152137.8 Ų137.881%0.81377%0.771SS**  179.8144121.6-90.7-39.3000107.8
223S34.2Very low35.3Very low87 Ų87138.1 Ų138.161%0.60877%0.773SS**  cis-166.5155.9-3.7-116.30000107.8L225S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 3.5Å; S223-L225 VanDerWaalsContact O-N 3.16Å
224P37.3Very low35.4Very low124 Ų124141.5 Ų141.581%0.80577%0.77SS**THydrogen-bonded Turntrans-8114.5-167.1-12.129.6000117.3
225L39Very low35.9Very low145 Ų145144.7 Ų144.776%0.75977%0.771SS**THydrogen-bonded Turntrans-90.3-11.8-164.1-163.460.9000114.9S223S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 3.5Å; S223-L225 VanDerWaalsContact O-N 3.16Å
226E42.6Very low36.2Very low173 Ų173140.8 Ų140.881%0.80876%0.763SS**G310 helixtrans-82-18.6-179.7-103.2-175.8108.500114.3Y228E226-Y228 VanDerWaalsContact C-N 3.31Å; E226-Y228 PolarHBondContact O-N 3.29Å
227K39.7Very low36.4Very low187 Ų187143.4 Ų143.481%0.81377%0.769SS**G310 helixtrans-76.2-14.2-175.4-77.9-171.9176.2179.60114.7
228Y34.3Very low36.6Very low207 Ų207144.2 Ų144.281%0.81278%0.779SS**G310 helixtrans-84.8-20.7-179-121.9-92.2000113.6E226E226-Y228 VanDerWaalsContact C-N 3.31Å; E226-Y228 PolarHBondContact O-N 3.29Å
229I43.3Very low36.8Very low136 Ų136145 Ų14570%0.69778%0.78SS**THydrogen-bonded Turntrans-89.5-22.4-174-58.9175.3000111.6
230A44.3Very low37.1Very low80 Ų80147.3 Ų147.366%0.66178%0.777SS**THydrogen-bonded Turntrans-80.8-13.9-179.700000114.6
231S42Very low37.4Very low100 Ų100149.1 Ų149.170%0.69980%0.799SS**THydrogen-bonded Turntrans-87-7.4-173.8-168.20000114.8
232Q40.5Very low37.7Very low165 Ų165150.1 Ų150.177%0.77181%0.805SS**SBendtrans-106.1-8.9-169.8-154.9159.8700114.6
233N39.7Very low38.2Very low147 Ų147150 Ų15079%0.78681%0.805SS**SBendtrans-110.26.8-172.2-82.7-6.2000115.8
234H38.2Very low38.5Very low180 Ų180153.5 Ų153.583%0.83382%0.816SS**SBendtrans-107.29.4-176-127.2-65.1000115.8
235I42.6Very low38.5Very low166 Ų166155.2 Ų155.285%0.85182%0.816SS**SBendtrans-93.2-0.7-178.6-64177.8000113.5
236A38.3Very low38.5Very low78 Ų78155.9 Ų155.965%0.64582%0.82SS**SBendtrans-117122.2179.200000111.7
237F37.5Very low38.2Very low200 Ų200154.7 Ų154.788%0.87782%0.821SS**  trans90.488.6169.8-70.9-89.8000118.2
238T32.6Very low38.1Very low155 Ų155152.4 Ų152.495%0.95182%0.821SS**  -165.2102.8122.617.50000109.4
239E33.5Very low38.4Very low181 Ų181148.2 Ų148.285%0.84682%0.822SS**  trans-109.8125162.5-179.9-172.4-177.200105.4
240V33.4Very low38Very low139 Ų139149.3 Ų149.384%0.84283%0.833SS**  trans-156.9139.8130.3-163.90000108.1
241T33.5Very low37.4Very low200 Ų200155.5 Ų155.5100%1.22785%0.848SS**  trans-51.50159.9-11.70000113.9

Retrieved 241 of 241 residues in 590.8 ms (Link to these results)