A0A077YYX0_TRITR Loading...

Myc box dependent interacting protein 1

AlphaFold DB , UniProt , Accession A0A077YYX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 401 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
1M51.7Low46.6Very low175 Ų175125.4 Ų125.486%0.86267%0.672SS**  091.90-151.9-176.8-66.500107.5T12M1-T12 HydrophobicContact CG-CG2 4.36Å; M1-T12 HydrophobicContact SD-CG2 4.24Å
2L39.9Very low49Very low119 Ų119116.3 Ų116.362%0.62363%0.625SS**  trans-91.3124.2178.8-75.7161000107.9
3L37.8Very low51.3Low125 Ų125113.6 Ų113.665%0.65461%0.609SS**  trans-84.9106.5169.1-82.789000107.9
4E37.4Very low53.5Low125 Ų125107.2 Ų107.258%0.58458%0.575SS**  trans-99.1117.5169.7-75.4-165.715800111L6E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.05Å
5T33.7Very low55.8Low132 Ų132109.3 Ų109.381%0.8158%0.579SS**  trans-82.666.9-177.544.30000112.2
6L39.2Very low57.9Low140 Ų140107.1 Ų107.173%0.73358%0.575SS**  trans-102.378.4174.3-82.6165.7000112.2E4 K8E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.05Å; L6-K8 PolarHBondContact O-N 3.28Å
7G43.6Very low59.9Low87 Ų87101.1 Ų101.190%0.89754%0.543SS*.SBendtrans48.8-1.2148.700000121.9
8K45.1Very low61.7Low188 Ų188101.7 Ų101.782%0.81754%0.542SS*.SBendtrans-145.4115.8-178.6-68.6-179.4-179.4177.20105L6 D10L6-K8 PolarHBondContact O-N 3.28Å; K8-D10 PolarHBondContact O-N 3.38Å
9A55.5Low63.4Low59 Ų59103.1 Ų103.149%0.48855%0.545SS..SBendtrans24.592.1171.600000114.5R11 H150A9-R11 WeakPolarHBondContact O-CG 3.19Å; A9-R11 PolarHBondContact O-N 2.71Å; A9-H150 WeakPolarHBondContact CA-NE2 3.1Å; A9-H150 WeakPolarHBondContact CB-NE2 3.42Å
10D60.1Low64.9Low41 Ų4199.6 Ų99.622%0.21953%0.526CS..  trans-33.8111.1171.2-162.87.3000111.1K8 R149 H150K8-D10 PolarHBondContact O-N 3.38Å; D10-R149 PolarHBondContact O-NH2 2.82Å; D10-H150 PolarHBondContact N-CE1 2.78Å; D10-H150 VanDerWaalsContact N-CE1 3.29Å; D10-H150 PolarHBondContact O-NE2 3.08Å
11R69.1Low66.2Low188 Ų18895.1 Ų95.171%0.70950%0.504SS*.  trans-106.7140.5-177-64-165.9178.9177.9-4.3110.3A9 I13A9-R11 WeakPolarHBondContact O-CG 3.19Å; A9-R11 PolarHBondContact O-N 2.71Å; R11-I13 PolarHBondContact O-N 3.08Å
12T75.6Confident68.1Low17 Ų1789.4 Ų89.410%0.10448%0.481CS..  trans-77118.8173.5-53.10000109.7M1 L142 D146 R149M1-T12 HydrophobicContact CG-CG2 4.36Å; M1-T12 HydrophobicContact SD-CG2 4.24Å; T12-L142 HydrophobicContact CG2-CD1 4.06Å; T12-D146 PolarHBondContact N-OD2 2.9Å; T12-D146 PolarHBondContact OG1-OD1 3.09Å; T12-R149 PolarHBondContact OG1-NH1 2.64Å; T12-R149 PolarHBondContact OG1-NH2 3.26Å
13I78.3Confident70.6Confident81 Ų8184.9 Ų84.942%0.41546%0.457SS..  trans-109.6129.6175.9-56.6176.2000109.9R11 E15R11-I13 PolarHBondContact O-N 3.08Å; I13-E15 HydrophobicContact CG2-CG 4.17Å
14D82.9Confident73.2Confident24 Ų2479.1 Ų79.113%0.12843%0.427CS..  trans-126.686.8177.2-172-20.3000109.6S16 F17 E18 R138 N185D14-S16 VanDerWaalsContact C-N 3.29Å; D14-S16 PolarHBondContact O-N 3.17Å; D14-S16 PolarHBondContact OD1-N 2.89Å; D14-S16 PolarHBondContact OD1-OG 2.74Å; D14-F17 HydrophobicContact CB-CB 3.86Å; D14-F17 PolarHBondContact O-N 3.45Å; D14-F17 WeakPolarHBondContact OD1-CB 3.49Å; D14-F17 PolarHBondContact OD1-N 3.08Å; D14-E18 PolarHBondContact O-N 2.69Å; D14-R138 IonicContact OD2-NH2 3.6Å; D14-N185 PolarHBondContact OD2-ND2 3.16Å; D14-N185 PolarHBondContact OD2-OD1 3.31Å
15E86.9Confident75.6Confident138 Ų13876.1 Ų76.165%0.64542%0.415SS*.Hα-helixtrans-59.9-38.5-177-64.7176.2175.900112.5I13 F17 E18 E19I13-E15 HydrophobicContact CG2-CG 4.17Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 2.94Å; E15-E18 PolarHBondContact O-N 3.32Å; E15-E19 PolarHBondContact O-N 2.95Å
16S89.4Confident78.1Confident74 Ų7475.9 Ų75.952%0.51740%0.403SS..Hα-helixtrans-62.2-41.3175.837.30000112.2D14 N20D14-S16 VanDerWaalsContact C-N 3.29Å; D14-S16 PolarHBondContact O-N 3.17Å; D14-S16 PolarHBondContact OD1-N 2.89Å; D14-S16 PolarHBondContact OD1-OG 2.74Å; S16-N20 WeakPolarHBondContact O-CB 3.5Å; S16-N20 VanDerWaalsContact O-CG 3.29Å; S16-N20 PolarHBondContact O-N 2.91Å; S16-N20 PolarHBondContact O-ND2 3Å
17F93Very high80.3Confident6 Ų669.6 Ų69.63%0.02637%0.37CS..Hα-helixtrans-65.1-44175179.4-87.6000111.5D14 E15 E19 N20 A21 I135 L188 L192D14-F17 HydrophobicContact CB-CB 3.86Å; D14-F17 PolarHBondContact O-N 3.45Å; D14-F17 WeakPolarHBondContact OD1-CB 3.49Å; D14-F17 PolarHBondContact OD1-N 3.08Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 2.94Å; F17-E19 VanDerWaalsContact C-N 3.31Å; F17-E19 PolarHBondContact O-N 3.36Å; F17-N20 PolarHBondContact O-N 3.41Å; F17-A21 HydrophobicContact CD1-CB 4.36Å; F17-A21 HydrophobicContact CE1-CB 3.96Å; F17-A21 HydrophobicContact CZ-CB 4.4Å; F17-A21 VanDerWaalsContact O-CB 3.31Å; F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 3.13Å; F17-I135 HydrophobicContact CZ-CG1 4.23Å; F17-I135 HydrophobicContact CZ-CG2 4.24Å; F17-L188 HydrophobicContact CD2-CB 4.46Å; F17-L188 HydrophobicContact CE2-CB 3.79Å; F17-L188 HydrophobicContact CE2-CD1 3.9Å; F17-L188 HydrophobicContact CE2-CG 4.43Å; F17-L188 HydrophobicContact CZ-CD1 4.26Å; F17-L192 HydrophobicContact CE2-CD1 3.97Å; F17-L192 HydrophobicContact CZ-CD1 4.43Å
18E91.9Very high81.9Confident112 Ų11266.2 Ų66.252%0.52333%0.331SS..Hα-helixtrans-63.3-38179.6-66.2-54.2141.900112D14 E15 A21 S22D14-E18 PolarHBondContact O-N 2.69Å; E15-E18 PolarHBondContact O-N 3.32Å; E18-A21 PolarHBondContact O-N 2.93Å; E18-S22 VanDerWaalsContact O-CB 3.3Å; E18-S22 WeakPolarHBondContact O-CB 3.24Å; E18-S22 PolarHBondContact O-N 3.47Å
19E93Very high83Confident127 Ų12763.4 Ų63.459%0.59332%0.315SS*.Hα-helixtrans-61-50.7171.8-176.5174.7-17300110.9E15 F17 A21 S22 N23E15-E19 PolarHBondContact O-N 2.95Å; F17-E19 VanDerWaalsContact C-N 3.31Å; F17-E19 PolarHBondContact O-N 3.36Å; E19-A21 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 3.09Å; E19-S22 WeakPolarHBondContact O-CB 3.44Å; E19-S22 PolarHBondContact O-N 3.25Å; E19-N23 WeakPolarHBondContact O-CB 3.21Å; E19-N23 PolarHBondContact O-N 2.97Å
20N94.5Very high83Confident33 Ų3363.2 Ų63.218%0.17631%0.308CS..Hα-helixtrans-60.9-39.7178.3-72.7-25.8000112.8S16 F17 N23 F24 L192S16-N20 WeakPolarHBondContact O-CB 3.5Å; S16-N20 VanDerWaalsContact O-CG 3.29Å; S16-N20 PolarHBondContact O-N 2.91Å; S16-N20 PolarHBondContact O-ND2 3Å; F17-N20 PolarHBondContact O-N 3.41Å; N20-N23 WeakPolarHBondContact O-CB 3.4Å; N20-N23 PolarHBondContact O-N 3.41Å; N20-F24 WeakPolarHBondContact O-CB 3.44Å; N20-F24 PolarHBondContact O-N 2.88Å; N20-L192 HydrophobicContact CB-CB 4.09Å; N20-L192 HydrophobicContact CB-CD1 4.2Å
21A92.6Very high82.4Confident7 Ų767.7 Ų67.76%0.05833%0.331CS..Hα-helixtrans-68.5-40175.800000111.7F17 E18 E19 N23 F24 N25F17-A21 HydrophobicContact CD1-CB 4.36Å; F17-A21 HydrophobicContact CE1-CB 3.96Å; F17-A21 HydrophobicContact CZ-CB 4.4Å; F17-A21 VanDerWaalsContact O-CB 3.31Å; F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 3.13Å; E18-A21 PolarHBondContact O-N 2.93Å; E19-A21 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 3.09Å; A21-N23 VanDerWaalsContact C-N 3.3Å; A21-N23 PolarHBondContact O-N 2.87Å; A21-F24 PolarHBondContact O-N 3.28Å; A21-N25 PolarHBondContact O-N 2.9Å; A21-N25 PolarHBondContact O-ND2 3.18Å
22S91.3Very high81.2Confident54 Ų5464 Ų6438%0.37833%0.326SS..Hα-helixtrans-59.8-45.9171.8-1760000110.7E18 E19 N25 K26E18-S22 VanDerWaalsContact O-CB 3.3Å; E18-S22 WeakPolarHBondContact O-CB 3.24Å; E18-S22 PolarHBondContact O-N 3.47Å; E19-S22 WeakPolarHBondContact O-CB 3.44Å; E19-S22 PolarHBondContact O-N 3.25Å; S22-N25 PolarHBondContact O-N 3.4Å; S22-K26 WeakPolarHBondContact O-CG 3.43Å; S22-K26 PolarHBondContact O-N 3.29Å
23N92Very high79.7Confident24 Ų2472.5 Ų72.513%0.12836%0.361CS..Hα-helixtrans-60.3-45.1177.8-94-6000112.4E19 N20 A21 K26 Q27 Y196 R199E19-N23 WeakPolarHBondContact O-CB 3.21Å; E19-N23 PolarHBondContact O-N 2.97Å; N20-N23 WeakPolarHBondContact O-CB 3.4Å; N20-N23 PolarHBondContact O-N 3.41Å; A21-N23 VanDerWaalsContact C-N 3.3Å; A21-N23 PolarHBondContact O-N 2.87Å; N23-K26 PolarHBondContact O-N 3.24Å; N23-Q27 PolarHBondContact O-N 3.19Å; N23-Y196 HydrophobicContact CB-CD2 3.28Å; N23-Y196 HydrophobicContact CB-CE2 3.24Å; N23-Y196 HydrophobicContact CB-CG 4.42Å; N23-Y196 WeakPolarHBondContact OD1-CE2 3.46Å; N23-R199 PolarHBondContact O-NH2 3.5Å
24F92.1Very high78Confident5 Ų574.4 Ų74.42%0.02237%0.372CS..Hα-helixtrans-56-50.5170.6172.4-96.1000112.1N20 A21 K26 Q27 Q28 F128 L131 K132 I135 L192 L195N20-F24 WeakPolarHBondContact O-CB 3.44Å; N20-F24 PolarHBondContact O-N 2.88Å; A21-F24 PolarHBondContact O-N 3.28Å; F24-K26 VanDerWaalsContact C-N 3.31Å; F24-K26 PolarHBondContact O-N 2.75Å; F24-Q27 PolarHBondContact O-N 3.47Å; F24-Q27 VanDerWaalsContact O-N 3.09Å; F24-Q28 PolarHBondContact O-N 3.35Å; F24-F128 HydrophobicContact CD2-CD1 4.28Å; F24-F128 HydrophobicContact CE2-CB 4.45Å; F24-F128 AromaticContact CE2-CD1 3.62Å; F24-F128 HydrophobicContact CE2-CD1 3.62Å; F24-F128 HydrophobicContact CE2-CE1 4.3Å; F24-F128 HydrophobicContact CE2-CG 4.38Å; F24-F128 HydrophobicContact CZ-CB 4.28Å; F24-F128 AromaticContact CZ-CD1 3.96Å; F24-F128 HydrophobicContact CZ-CD1 3.96Å; F24-F128 WeakPolarHBondContact CZ-O 3.46Å; F24-L131 HydrophobicContact CD2-CB 4.45Å; F24-L131 HydrophobicContact CD2-CD1 4.49Å; F24-L131 HydrophobicContact CE2-CB 3.63Å; F24-L131 HydrophobicContact CE2-CD1 4.07Å; F24-L131 HydrophobicContact CZ-CB 3.95Å; F24-K132 HydrophobicContact CE1-CB 4.36Å; F24-K132 HydrophobicContact CZ-CB 4.29Å; F24-I135 HydrophobicContact CD1-CD1 3.67Å; F24-I135 HydrophobicContact CE1-CD1 3.85Å; F24-I135 HydrophobicContact CG-CD1 4.09Å; F24-I135 HydrophobicContact CZ-CD1 4.4Å; F24-L192 HydrophobicContact CB-CD2 4.11Å; F24-L192 HydrophobicContact CD2-CD2 3.76Å; F24-L192 HydrophobicContact CE2-CD2 4.44Å; F24-L192 HydrophobicContact CG-CD2 4.03Å; F24-L195 HydrophobicContact CD2-CD2 4.05Å; F24-L195 HydrophobicContact CE2-CD2 4.04Å
25N88.2Confident75.8Confident62 Ų6281.8 Ų81.833%0.33241%0.405SS..Hα-helixtrans-60.7-38.2178.3-76-61.9000112.6A21 S22 Q27 Q28 R29A21-N25 PolarHBondContact O-N 2.9Å; A21-N25 PolarHBondContact O-ND2 3.18Å; S22-N25 PolarHBondContact O-N 3.4Å; N25-Q27 VanDerWaalsContact C-N 3.27Å; N25-Q27 PolarHBondContact O-N 2.99Å; N25-Q28 PolarHBondContact O-N 3.32Å; N25-R29 WeakPolarHBondContact O-CB 3.32Å; N25-R29 WeakPolarHBondContact O-CG 3.43Å; N25-R29 PolarHBondContact O-N 3.41Å; N25-R29 VanDerWaalsContact O-N 3.09Å
26K85.1Confident73.7Confident126 Ų12678 Ų7855%0.54840%0.398SS..Hα-helixtrans-65.8-21.1175.9-72.5172.8-170.2167.60114.2S22 N23 F24S22-K26 WeakPolarHBondContact O-CG 3.43Å; S22-K26 PolarHBondContact O-N 3.29Å; N23-K26 PolarHBondContact O-N 3.24Å; F24-K26 VanDerWaalsContact C-N 3.31Å; F24-K26 PolarHBondContact O-N 2.75Å
27Q85.4Confident71.4Confident9 Ų979.3 Ų79.34%0.04240%0.399CS..Hα-helixtrans-86.3-34174.9168.7-176.98.500113.2N23 F24 N25 F53 Y124 F128 L195 R199N23-Q27 PolarHBondContact O-N 3.19Å; F24-Q27 PolarHBondContact O-N 3.47Å; F24-Q27 VanDerWaalsContact O-N 3.09Å; N25-Q27 VanDerWaalsContact C-N 3.27Å; N25-Q27 PolarHBondContact O-N 2.99Å; Q27-F53 HydrophobicContact CG-CE2 4.21Å; Q27-Y124 PolarHBondContact NE2-OH 3.4Å; Q27-F128 HydrophobicContact CB-CE1 4.22Å; Q27-F128 VanDerWaalsContact CD-CZ 3.44Å; Q27-F128 HydrophobicContact CG-CE1 3.53Å; Q27-F128 HydrophobicContact CG-CZ 3.52Å; Q27-L195 PolarHBondContact NE2-O 3.04Å; Q27-R199 VanDerWaalsContact CD-CZ 3.49Å; Q27-R199 HydrophobicContact CG-CG 3.88Å
28Q78Confident69.2Low16 Ų1684.2 Ų84.28%0.07543%0.431CS..Hα-helixtrans-68.8-31.1174.2-153.8178.614.500110.8F24 N25 K51 N52 F128F24-Q28 PolarHBondContact O-N 3.35Å; N25-Q28 PolarHBondContact O-N 3.32Å; Q28-K51 HydrophobicContact CG-CB 4.31Å; Q28-K51 HydrophobicContact CG-CD 4.03Å; Q28-K51 HydrophobicContact CG-CG 3.97Å; Q28-K51 WeakPolarHBondContact O-CA 3.37Å; Q28-K51 WeakPolarHBondContact O-CB 3.35Å; Q28-N52 PolarHBondContact O-N 2.98Å; Q28-F128 HydrophobicContact CB-CD1 4.23Å; Q28-F128 HydrophobicContact CG-CD1 4.22Å
29R67.8Low67.1Low128 Ų12882.8 Ų82.848%0.48344%0.438SS..BIsolated β-bridgetrans-104.8139.2-177.5-61177.6-174.6-166.93.6112.2N25 T49N25-R29 WeakPolarHBondContact O-CB 3.32Å; N25-R29 WeakPolarHBondContact O-CG 3.43Å; N25-R29 PolarHBondContact O-N 3.41Å; N25-R29 VanDerWaalsContact O-N 3.09Å; R29-T49 HydrophobicContact CB-CG2 3.91Å; R29-T49 HydrophobicContact CG-CG2 3.66Å
30V56.5Low64.9Low56 Ų5685.4 Ų85.434%0.33945%0.448SS..  trans-111.2122.6150.9154.70000108.4L32 N52V30-L32 HydrophobicContact CG1-CB 4.19Å; V30-L32 HydrophobicContact CG1-CD1 4.38Å; V30-L32 PolarHBondContact O-N 3.12Å; V30-N52 WeakPolarHBondContact CB-OD1 3.47Å; V30-N52 WeakPolarHBondContact CG2-ND2 3.45Å
31D46Very low62.4Low134 Ų13487.4 Ų87.472%0.71746%0.463SS*.  trans-66.790.1158.2-68.1-26.1000106.2F33D31-F33 PolarHBondContact O-N 2.98Å
32L45.2Very low60.1Low112 Ų11290.7 Ų90.759%0.58649%0.491SS*.  trans-70.381.4173.7-169.377.7000107.7V30 L34V30-L32 HydrophobicContact CG1-CB 4.19Å; V30-L32 HydrophobicContact CG1-CD1 4.38Å; V30-L32 PolarHBondContact O-N 3.12Å; L32-L34 WeakPolarHBondContact CD1-O 3.38Å; L32-L34 VanDerWaalsContact CG-O 3.28Å; L32-L34 WeakPolarHBondContact CG-O 3.26Å; L32-L34 PolarHBondContact O-N 3.36Å
33F42.9Very low57.8Low194 Ų19496.2 Ų96.285%0.85152%0.516SS*.  trans-72.2-12169.8-121.9-82.9000111.9D31D31-F33 PolarHBondContact O-N 2.98Å
34L43.3Very low55.4Low122 Ų12298.4 Ų98.464%0.63953%0.533SS*.SBendtrans-107.8104.7-177.8-75.9119.2000110.6L32L32-L34 WeakPolarHBondContact CD1-O 3.38Å; L32-L34 VanDerWaalsContact CG-O 3.28Å; L32-L34 WeakPolarHBondContact CG-O 3.26Å; L32-L34 PolarHBondContact O-N 3.36Å
35H36.7Very low52.6Low178 Ų178102 Ų10282%0.82457%0.572SS**SBendtrans1132.4160.5-55.287.2000118.2N37H35-N37 PolarHBondContact O-N 3.16Å
36A42.3Very low50.2Low60 Ų60106.4 Ų106.450%0.49659%0.591SS.*  trans-75.7105.7158.900000108.7P38A36-P38 WeakPolarHBondContact O-CD 3.48Å; A36-P38 VanDerWaalsContact O-N 3.11Å
37N42.3Very low47.9Very low100 Ų100110.8 Ų110.854%0.53561%0.605SS.*  trans-58113.2165.2-177.1-19.7000107.5H35 A39 K40H35-N37 PolarHBondContact O-N 3.16Å; N37-A39 PolarHBondContact O-N 3.09Å; N37-A39 WeakPolarHBondContact OD1-CB 3.19Å; N37-A39 PolarHBondContact OD1-N 3.07Å; N37-K40 PolarHBondContact O-N 3.4Å; N37-K40 VanDerWaalsContact O-N 3.12Å
38P45.4Very low45.8Very low109 Ų109117.9 Ų117.971%0.70864%0.636SS**Hα-helixtrans-56.2-25.1-172.4-23.832.2000113.2A36 K40A36-P38 WeakPolarHBondContact O-CD 3.48Å; A36-P38 VanDerWaalsContact O-N 3.11Å; P38-K40 PolarHBondContact O-N 3.07Å
39A49.3Very low43.9Very low82 Ų82120.1 Ų120.168%0.67865%0.651SS**Hα-helixtrans-72.2-21.8-176.400000114.5N37N37-A39 PolarHBondContact O-N 3.09Å; N37-A39 WeakPolarHBondContact OD1-CB 3.19Å; N37-A39 PolarHBondContact OD1-N 3.07Å
40K46Very low43.1Very low183 Ų183118.4 Ų118.480%0.79665%0.647SS**Hα-helixtrans-96-18.5-178.5-76-170.5178.3-1780114.4N37 P38N37-K40 PolarHBondContact O-N 3.4Å; N37-K40 VanDerWaalsContact O-N 3.12Å; P38-K40 PolarHBondContact O-N 3.07Å
41C40.8Very low43.5Very low74 Ų74118.4 Ų118.450%0.564%0.642SS.*Hα-helixtrans-101.93.1-179.6-63.50000113.6N43C41-N43 PolarHBondContact O-N 2.92Å
42A45.3Very low44.7Very low77 Ų77115.4 Ų115.464%0.63663%0.627SS**THydrogen-bonded Turntrans-64.7-19.2-177.400000114.6
43N43.1Very low46.5Very low169 Ų169111.1 Ų111.190%0.90460%0.603SS**THydrogen-bonded Turntrans-105.31.1-174.4-72.4-15000115C41C41-N43 PolarHBondContact O-N 2.92Å
44S40.6Very low48.6Very low70 Ų70104.6 Ų104.649%0.4958%0.577SS.*  trans-125.599167.757.30000107.1E46S44-E46 PolarHBondContact O-N 2.98Å
45G34.3Very low50.6Low81 Ų81104.9 Ų104.984%0.83557%0.57SS**  trans-64.318.6-17900000115.4
46E38.1Very low53.2Low155 Ų15599.2 Ų99.272%0.72455%0.545SS*.  trans-96.899.9172-77.3170.8-177.900108.2S44 F48S44-E46 PolarHBondContact O-N 2.98Å; E46-F48 PolarHBondContact O-N 3.48Å
47Y36.8Very low55.5Low217 Ų21798.9 Ų98.985%0.85153%0.533SS*.  trans-60.489.6157.7-70.6-93.2000107.2T49Y47-T49 VanDerWaalsContact C-N 3.27Å; Y47-T49 PolarHBondContact O-N 3.45Å; Y47-T49 PolarHBondContact O-OG1 2.89Å; Y47-T49 VanDerWaalsContact O-OG1 3.06Å
48F40.6Very low57.8Low159 Ų15998.8 Ų98.870%0.69753%0.529SS*.  trans-64.291.4178.5-168.4-95.5000108.2E46 K50E46-F48 PolarHBondContact O-N 3.48Å; F48-K50 VanDerWaalsContact C-N 3.27Å; F48-K50 HydrophobicContact CD1-CB 3.98Å; F48-K50 HydrophobicContact CD1-CD 4.46Å; F48-K50 HydrophobicContact CD1-CG 4.33Å; F48-K50 HydrophobicContact CE1-CB 3.93Å; F48-K50 HydrophobicContact CE1-CD 3.88Å; F48-K50 HydrophobicContact CE1-CG 3.78Å; F48-K50 PolarHBondContact O-N 2.94Å
49T39.2Very low60.1Low62 Ų6297.6 Ų97.638%0.3851%0.514SS..  trans-78.682.2-177.5-44.70000106.9R29 Y47 K51R29-T49 HydrophobicContact CB-CG2 3.91Å; R29-T49 HydrophobicContact CG-CG2 3.66Å; Y47-T49 VanDerWaalsContact C-N 3.27Å; Y47-T49 PolarHBondContact O-N 3.45Å; Y47-T49 PolarHBondContact O-OG1 2.89Å; Y47-T49 VanDerWaalsContact O-OG1 3.06Å; T49-K51 PolarHBondContact O-N 3.2Å; T49-K51 VanDerWaalsContact O-N 3.11Å
50K50.5Low62.3Low93 Ų9394.2 Ų94.240%0.40449%0.485SS..  trans-69.1112.5-178.4-154.8167.4-175.4-178.40108.1F48 N52 R55F48-K50 VanDerWaalsContact C-N 3.27Å; F48-K50 HydrophobicContact CD1-CB 3.98Å; F48-K50 HydrophobicContact CD1-CD 4.46Å; F48-K50 HydrophobicContact CD1-CG 4.33Å; F48-K50 HydrophobicContact CE1-CB 3.93Å; F48-K50 HydrophobicContact CE1-CD 3.88Å; F48-K50 HydrophobicContact CE1-CG 3.78Å; F48-K50 PolarHBondContact O-N 2.94Å; K50-N52 PolarHBondContact O-N 3.25Å; K50-R55 HydrophobicContact CD-CB 4.36Å; K50-R55 HydrophobicContact CD-CG 4.25Å; K50-R55 HydrophobicContact CG-CB 4.31Å
51K63.8Low64.8Low55 Ų5587.8 Ų87.824%0.23946%0.459CS..BIsolated β-bridgetrans-60.9127177.9-65.1167.6177.1168.40109.1Q28 T49 F53 D54 R55Q28-K51 HydrophobicContact CG-CB 4.31Å; Q28-K51 HydrophobicContact CG-CD 4.03Å; Q28-K51 HydrophobicContact CG-CG 3.97Å; Q28-K51 WeakPolarHBondContact O-CA 3.37Å; Q28-K51 WeakPolarHBondContact O-CB 3.35Å; T49-K51 PolarHBondContact O-N 3.2Å; T49-K51 VanDerWaalsContact O-N 3.11Å; K51-F53 PolarHBondContact O-N 3.35Å; K51-D54 HydrophobicContact CB-CB 4.02Å; K51-D54 WeakPolarHBondContact CB-OD2 3.28Å; K51-D54 WeakPolarHBondContact CD-OD2 3.24Å; K51-D54 IonicContact NZ-OD2 3.53Å; K51-D54 PolarHBondContact O-N 3.42Å; K51-R55 PolarHBondContact O-N 2.98Å; K51-R55 VanDerWaalsContact O-N 3.13Å
52N71.1Confident67.4Low72 Ų7287.6 Ų87.639%0.38545%0.453SS..Hα-helixtrans-60.6-51.1-166.7-103.34.7000113.1Q28 V30 K50 R55 L56Q28-N52 PolarHBondContact O-N 2.98Å; V30-N52 WeakPolarHBondContact CB-OD1 3.47Å; V30-N52 WeakPolarHBondContact CG2-ND2 3.45Å; K50-N52 PolarHBondContact O-N 3.25Å; N52-R55 PolarHBondContact O-N 3.41Å; N52-L56 PolarHBondContact O-N 3.05Å
53F84.8Confident69.9Low22 Ų2288.4 Ų88.410%0.09644%0.44CS..Hα-helixtrans-74.4-33.9-174.9-70.1-78.7000111.6Q27 K51 R55 L56 Q57 L121 Y124 F128 F202Q27-F53 HydrophobicContact CG-CE2 4.21Å; K51-F53 PolarHBondContact O-N 3.35Å; F53-R55 VanDerWaalsContact C-N 3.3Å; F53-R55 PolarHBondContact O-N 2.76Å; F53-L56 HydrophobicContact CD1-CD2 4.4Å; F53-L56 PolarHBondContact O-N 2.93Å; F53-Q57 WeakPolarHBondContact O-CB 3.36Å; F53-Q57 PolarHBondContact O-N 2.95Å; F53-L121 HydrophobicContact CD1-CD1 4.1Å; F53-Y124 HydrophobicContact CB-CE1 4.45Å; F53-Y124 AromaticContact CD1-CD1 3.88Å; F53-Y124 HydrophobicContact CD1-CD1 3.88Å; F53-Y124 AromaticContact CD1-CE1 3.45Å; F53-Y124 HydrophobicContact CD1-CE1 3.45Å; F53-Y124 VanDerWaalsContact CD1-CE1 3.45Å; F53-Y124 AromaticContact CD2-CE1 3.7Å; F53-Y124 HydrophobicContact CD2-CE1 3.7Å; F53-Y124 HydrophobicContact CE1-CD1 4.11Å; F53-Y124 AromaticContact CE1-CE1 3.39Å; F53-Y124 HydrophobicContact CE1-CE1 3.39Å; F53-Y124 AromaticContact CE2-CE1 3.65Å; F53-Y124 HydrophobicContact CE2-CE1 3.65Å; F53-Y124 WeakPolarHBondContact CE2-OH 3.33Å; F53-Y124 HydrophobicContact CG-CD1 4.15Å; F53-Y124 AromaticContact CG-CE1 3.6Å; F53-Y124 HydrophobicContact CG-CE1 3.6Å; F53-Y124 AromaticContact CZ-CE1 3.5Å; F53-Y124 HydrophobicContact CZ-CE1 3.5Å; F53-Y124 VanDerWaalsContact CZ-CE1 3.5Å; F53-Y124 AromaticContact CZ-CZ 3.85Å; F53-Y124 VanDerWaalsContact CZ-OH 3.32Å; F53-Y124 WeakPolarHBondContact CZ-OH 3.47Å; F53-F128 HydrophobicContact CD2-CZ 4.42Å; F53-F202 HydrophobicContact CE1-CD1 4.37Å; F53-F202 HydrophobicContact CE1-CE1 4.1Å
54D85.5Confident72.6Confident56 Ų5680.5 Ų80.530%0.29940%0.398SS..Hα-helixtrans-60.7-41.4172.9-595.4000111K51 H58K51-D54 HydrophobicContact CB-CB 4.02Å; K51-D54 WeakPolarHBondContact CB-OD2 3.28Å; K51-D54 WeakPolarHBondContact CD-OD2 3.24Å; K51-D54 IonicContact NZ-OD2 3.53Å; K51-D54 PolarHBondContact O-N 3.42Å; D54-H58 VanDerWaalsContact O-CB 3.27Å; D54-H58 WeakPolarHBondContact O-CB 3.49Å; D54-H58 PolarHBondContact O-N 3.25Å
55R86.5Confident75.3Confident129 Ų12980.9 Ų80.949%0.48739%0.392SS..Hα-helixtrans-64.6-49.6173.3-175.4-173.4-179-178-7.3111K50 K51 N52 F53 Q57 H58 E59K50-R55 HydrophobicContact CD-CB 4.36Å; K50-R55 HydrophobicContact CD-CG 4.25Å; K50-R55 HydrophobicContact CG-CB 4.31Å; K51-R55 PolarHBondContact O-N 2.98Å; K51-R55 VanDerWaalsContact O-N 3.13Å; N52-R55 PolarHBondContact O-N 3.41Å; F53-R55 VanDerWaalsContact C-N 3.3Å; F53-R55 PolarHBondContact O-N 2.76Å; R55-Q57 VanDerWaalsContact C-N 3.27Å; R55-Q57 PolarHBondContact O-N 3.08Å; R55-H58 PolarHBondContact O-N 3.41Å; R55-E59 HydrophobicContact CG-CG 4.05Å; R55-E59 WeakPolarHBondContact O-CB 3.45Å; R55-E59 VanDerWaalsContact O-CG 3.25Å; R55-E59 WeakPolarHBondContact O-CG 3.26Å; R55-E59 PolarHBondContact O-N 3.08Å
56L89.7Confident78.3Confident58 Ų5880.2 Ų80.230%0.30437%0.374SS..Hα-helixtrans-57.4-44.1179.7179.361.5000111.2N52 F53 E59 L60 L121N52-L56 PolarHBondContact O-N 3.05Å; F53-L56 HydrophobicContact CD1-CD2 4.4Å; F53-L56 PolarHBondContact O-N 2.93Å; L56-E59 PolarHBondContact O-N 3.01Å; L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.23Å; L56-L60 PolarHBondContact O-N 2.77Å; L56-L121 HydrophobicContact CB-CD2 4.47Å; L56-L121 HydrophobicContact CD2-CD1 4.19Å; L56-L121 HydrophobicContact CD2-CD2 4.21Å; L56-L121 HydrophobicContact CG-CD2 3.85Å
57Q91.5Very high81.2Confident53 Ų5373.5 Ų73.525%0.24834%0.343CS..Hα-helixtrans-60.8-47.5176.8-175.6-172.129.400111.3F53 R55 L60 L61 L121 N122F53-Q57 WeakPolarHBondContact O-CB 3.36Å; F53-Q57 PolarHBondContact O-N 2.95Å; R55-Q57 VanDerWaalsContact C-N 3.27Å; R55-Q57 PolarHBondContact O-N 3.08Å; Q57-L60 PolarHBondContact O-N 3.27Å; Q57-L61 VanDerWaalsContact O-CB 3.3Å; Q57-L61 WeakPolarHBondContact O-CB 3.5Å; Q57-L61 PolarHBondContact O-N 2.82Å; Q57-L121 HydrophobicContact CB-CD2 4Å; Q57-L121 HydrophobicContact CB-CG 4.17Å; Q57-N122 WeakPolarHBondContact CG-OD1 3.49Å; Q57-N122 PolarHBondContact NE2-OD1 2.8Å
58H91.3Very high84.1Confident98 Ų9868.2 Ų68.245%0.45432%0.324SS..Hα-helixtrans-62.3-46.9177.8-175.976.9000112.5D54 R55 L61 N62D54-H58 VanDerWaalsContact O-CB 3.27Å; D54-H58 WeakPolarHBondContact O-CB 3.49Å; D54-H58 PolarHBondContact O-N 3.25Å; R55-H58 PolarHBondContact O-N 3.41Å; H58-L61 PolarHBondContact O-N 2.98Å; H58-N62 WeakPolarHBondContact O-CB 3.47Å; H58-N62 PolarHBondContact O-N 3.42Å
59E93.5Very high86.8Confident84 Ų8463.7 Ų63.739%0.39332%0.316SS..Hα-helixtrans-68.9-37.7-179.6-62.5-68.2167.300111.6R55 L56 N62 Y63R55-E59 HydrophobicContact CG-CG 4.05Å; R55-E59 WeakPolarHBondContact O-CB 3.45Å; R55-E59 VanDerWaalsContact O-CG 3.25Å; R55-E59 WeakPolarHBondContact O-CG 3.26Å; R55-E59 PolarHBondContact O-N 3.08Å; L56-E59 PolarHBondContact O-N 3.01Å; E59-N62 PolarHBondContact O-N 2.92Å; E59-Y63 VanDerWaalsContact O-CB 3.31Å; E59-Y63 WeakPolarHBondContact O-CB 3.35Å; E59-Y63 PolarHBondContact O-N 3.26Å
60L96Very high89.6Confident11 Ų1164.3 Ų64.36%0.05832%0.32CS..Hα-helixtrans-66.8-42.3175.4-179.659.1000111.5L56 Q57 Y63 I64 L118 L121 L210L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.23Å; L56-L60 PolarHBondContact O-N 2.77Å; Q57-L60 PolarHBondContact O-N 3.27Å; L60-Y63 PolarHBondContact O-N 2.97Å; L60-I64 HydrophobicContact CD1-CD1 4.1Å; L60-I64 HydrophobicContact CD1-CG1 4.35Å; L60-I64 HydrophobicContact CG-CD1 4.05Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.46Å; L60-L118 HydrophobicContact CD2-CB 4.29Å; L60-L118 HydrophobicContact CD2-CD1 4.37Å; L60-L118 HydrophobicContact CG-CD1 4.35Å; L60-L121 HydrophobicContact CB-CD2 4.44Å; L60-L121 HydrophobicContact CD2-CD2 3.84Å; L60-L210 HydrophobicContact CD1-CD1 3.88Å
61L96.8Very high91.9Very high48 Ų4860.1 Ų60.125%0.25130%0.302SS..Hα-helixtrans-59-48.2173.8177.164.8000110.9Q57 H58 Y63 I64 Q65 L118Q57-L61 VanDerWaalsContact O-CB 3.3Å; Q57-L61 WeakPolarHBondContact O-CB 3.5Å; Q57-L61 PolarHBondContact O-N 2.82Å; H58-L61 PolarHBondContact O-N 2.98Å; L61-Y63 VanDerWaalsContact C-N 3.35Å; L61-Y63 PolarHBondContact O-N 2.95Å; L61-I64 PolarHBondContact O-N 3.2Å; L61-Q65 WeakPolarHBondContact O-CG 3.34Å; L61-Q65 PolarHBondContact O-N 3.37Å; L61-L118 HydrophobicContact CB-CD1 4.19Å; L61-L118 HydrophobicContact CD1-CD2 3.79Å
62N97.1Very high93.5Very high71 Ų7162.5 Ų62.538%0.3831%0.314SS..Hα-helixtrans-60.9-43.4176.8179.162.4000111.7H58 E59 I64 Q65 C66H58-N62 WeakPolarHBondContact O-CB 3.47Å; H58-N62 PolarHBondContact O-N 3.42Å; E59-N62 PolarHBondContact O-N 2.92Å; N62-I64 PolarHBondContact O-N 3.38Å; N62-Q65 WeakPolarHBondContact O-CB 3.42Å; N62-Q65 PolarHBondContact O-N 3.12Å; N62-C66 PolarHBondContact O-N 2.89Å; N62-C66 PolarHBondContact O-SG 3.08Å
63Y97.8Very high94.8Very high93 Ų9362.2 Ų62.237%0.36532%0.322SS..Hα-helixtrans-57.7-46.8175.6179.6-94.2000111.7E59 L60 L61 Q65 C66 L67 Y109 L113 E214E59-Y63 VanDerWaalsContact O-CB 3.31Å; E59-Y63 WeakPolarHBondContact O-CB 3.35Å; E59-Y63 PolarHBondContact O-N 3.26Å; L60-Y63 PolarHBondContact O-N 2.97Å; L61-Y63 VanDerWaalsContact C-N 3.35Å; L61-Y63 PolarHBondContact O-N 2.95Å; Y63-Q65 VanDerWaalsContact C-N 3.34Å; Y63-Q65 PolarHBondContact O-N 3.43Å; Y63-C66 PolarHBondContact O-N 2.74Å; Y63-L67 WeakPolarHBondContact O-CB 3.29Å; Y63-L67 PolarHBondContact O-N 3.04Å; Y63-Y109 PolarHBondContact OH-OH 3.01Å; Y63-Y109 VanDerWaalsContact OH-OH 3.07Å; Y63-L113 HydrophobicContact CD1-CD1 4.03Å; Y63-L113 HydrophobicContact CE1-CD1 3.6Å; Y63-E214 PolarHBondContact OH-OE1 3.22Å
64I98.2Very high95.4Very high3 Ų362 Ų622%0.01532%0.323CS..Hα-helixtrans-65.2-36.6177.5-68.8165.8000111.6L60 L61 N62 L67 K68 L113 L118L60-I64 HydrophobicContact CD1-CD1 4.1Å; L60-I64 HydrophobicContact CD1-CG1 4.35Å; L60-I64 HydrophobicContact CG-CD1 4.05Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.46Å; L61-I64 PolarHBondContact O-N 3.2Å; N62-I64 PolarHBondContact O-N 3.38Å; I64-L67 WeakPolarHBondContact O-CB 3.42Å; I64-L67 PolarHBondContact O-N 2.74Å; I64-K68 HydrophobicContact CG2-CD 4.44Å; I64-K68 WeakPolarHBondContact O-CG 3.16Å; I64-K68 PolarHBondContact O-N 3.39Å; I64-L113 HydrophobicContact CD1-CB 3.91Å; I64-L113 HydrophobicContact CG1-CB 3.89Å; I64-L113 HydrophobicContact CG1-CD1 4.26Å; I64-L118 HydrophobicContact CD1-CB 3.65Å; I64-L118 HydrophobicContact CD1-CD2 3.95Å; I64-L118 HydrophobicContact CD1-CG 4.29Å
65Q97.9Very high96Very high78 Ų7862.7 Ų62.736%0.36432%0.321SS..Hα-helixtrans-63.7-46.3174.8-74.2174.6-9.900111.6L61 N62 Y63 L67 K68 A69L61-Q65 WeakPolarHBondContact O-CG 3.34Å; L61-Q65 PolarHBondContact O-N 3.37Å; N62-Q65 WeakPolarHBondContact O-CB 3.42Å; N62-Q65 PolarHBondContact O-N 3.12Å; Y63-Q65 VanDerWaalsContact C-N 3.34Å; Y63-Q65 PolarHBondContact O-N 3.43Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 2.92Å; Q65-K68 PolarHBondContact O-N 3.49Å; Q65-A69 PolarHBondContact O-N 3.07Å; Q65-A69 VanDerWaalsContact O-N 3.14Å
66C98.3Very high96.5Very high68 Ų6858.3 Ų58.346%0.45932%0.317SS..Hα-helixtrans-62.7-39173.9-67.60000111.8N62 Y63 A69 V70N62-C66 PolarHBondContact O-N 2.89Å; N62-C66 PolarHBondContact O-SG 3.08Å; Y63-C66 PolarHBondContact O-N 2.74Å; C66-A69 WeakPolarHBondContact O-CB 3.39Å; C66-A69 PolarHBondContact O-N 3.43Å; C66-V70 WeakPolarHBondContact O-CG2 3.46Å; C66-V70 PolarHBondContact O-N 3.19Å
67L98Very high96.9Very high14 Ų1462.5 Ų62.57%0.07333%0.329CS..Hα-helixtrans-60-47.3176-179.463.7000111.3Y63 I64 Q65 A69 V70 T71 W106 Y109 L113Y63-L67 WeakPolarHBondContact O-CB 3.29Å; Y63-L67 PolarHBondContact O-N 3.04Å; I64-L67 WeakPolarHBondContact O-CB 3.42Å; I64-L67 PolarHBondContact O-N 2.74Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 2.92Å; L67-A69 VanDerWaalsContact C-N 3.27Å; L67-A69 PolarHBondContact O-N 2.93Å; L67-V70 CarbonylContact O-C 3.47Å; L67-V70 PolarHBondContact O-N 3.38Å; L67-V70 VanDerWaalsContact O-N 3.09Å; L67-T71 PolarHBondContact O-N 2.78Å; L67-T71 PolarHBondContact O-OG1 3.34Å; L67-T71 VanDerWaalsContact O-OG1 3.1Å; L67-W106 HydrophobicContact CD1-CE3 3.88Å; L67-W106 HydrophobicContact CD1-CZ3 3.43Å; L67-W106 VanDerWaalsContact CD1-CZ3 3.43Å; L67-Y109 HydrophobicContact CD1-CD1 3.92Å; L67-Y109 HydrophobicContact CD1-CE1 3.77Å; L67-Y109 HydrophobicContact CD2-CD1 3.74Å; L67-Y109 HydrophobicContact CD2-CE1 3.65Å; L67-Y109 HydrophobicContact CD2-CG 4.41Å; L67-Y109 HydrophobicContact CG-CD1 4.44Å; L67-Y109 HydrophobicContact CG-CE1 4.39Å; L67-L113 HydrophobicContact CD2-CD1 3.66Å
68K97.9Very high97.2Very high105 Ų10561.5 Ų61.546%0.45732%0.323SS..Hα-helixtrans-56.9-40.7174.9-77176.2178.5-175.90112.3I64 Q65 T71 Q72 T110I64-K68 HydrophobicContact CG2-CD 4.44Å; I64-K68 WeakPolarHBondContact O-CG 3.16Å; I64-K68 PolarHBondContact O-N 3.39Å; Q65-K68 PolarHBondContact O-N 3.49Å; K68-T71 PolarHBondContact O-N 3.47Å; K68-Q72 PolarHBondContact O-N 3.07Å; K68-T110 HydrophobicContact CD-CG2 4.17Å; K68-T110 HydrophobicContact CG-CG2 3.42Å; K68-T110 VanDerWaalsContact CG-CG2 3.42Å
69A98.1Very high97.5Very high64 Ų6460.2 Ų60.253%0.52932%0.32SS..Hα-helixtrans-65.1-41.5175.800000112.2Q65 C66 L67 Q72 A73Q65-A69 PolarHBondContact O-N 3.07Å; Q65-A69 VanDerWaalsContact O-N 3.14Å; C66-A69 WeakPolarHBondContact O-CB 3.39Å; C66-A69 PolarHBondContact O-N 3.43Å; L67-A69 VanDerWaalsContact C-N 3.27Å; L67-A69 PolarHBondContact O-N 2.93Å; A69-Q72 PolarHBondContact O-N 3.1Å; A69-A73 WeakPolarHBondContact O-CB 3.45Å; A69-A73 PolarHBondContact O-N 3.12Å
70V97.8Very high97.7Very high75 Ų7558.3 Ų58.346%0.45532%0.319SS..Hα-helixtrans-65.5-41.7174.6172.40000111.3C66 L67 Q72 A73 S74 W106C66-V70 WeakPolarHBondContact O-CG2 3.46Å; C66-V70 PolarHBondContact O-N 3.19Å; L67-V70 CarbonylContact O-C 3.47Å; L67-V70 PolarHBondContact O-N 3.38Å; L67-V70 VanDerWaalsContact O-N 3.09Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 2.94Å; V70-A73 PolarHBondContact O-N 3.45Å; V70-S74 VanDerWaalsContact O-CB 3.26Å; V70-S74 WeakPolarHBondContact O-CB 3.47Å; V70-S74 PolarHBondContact O-N 3.14Å; V70-W106 HydrophobicContact CG1-CH2 3.69Å; V70-W106 HydrophobicContact CG1-CZ2 4.06Å; V70-W106 HydrophobicContact CG1-CZ3 4.18Å
71T98.1Very high97.8Very high5 Ų559.2 Ų59.23%0.03133%0.325CS..Hα-helixtrans-56.1-47.2174-63.60000111L67 K68 S74 R75 W106 T110L67-T71 PolarHBondContact O-N 2.78Å; L67-T71 PolarHBondContact O-OG1 3.34Å; L67-T71 VanDerWaalsContact O-OG1 3.1Å; K68-T71 PolarHBondContact O-N 3.47Å; T71-S74 WeakPolarHBondContact O-CB 3.49Å; T71-S74 PolarHBondContact O-N 3.14Å; T71-R75 PolarHBondContact O-N 3.07Å; T71-W106 HydrophobicContact CG2-CB 3.66Å; T71-W106 HydrophobicContact CG2-CG 4.36Å; T71-T110 PolarHBondContact OG1-OG1 3.48Å
72Q97.7Very high97.8Very high105 Ų10559.3 Ų59.349%0.49132%0.322SS..Hα-helixtrans-67.3-41.3178.5-172.856.141.700112.6K68 A69 V70 S74 R75 G76K68-Q72 PolarHBondContact O-N 3.07Å; A69-Q72 PolarHBondContact O-N 3.1Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 2.94Å; Q72-S74 VanDerWaalsContact C-N 3.31Å; Q72-S74 PolarHBondContact O-N 3.04Å; Q72-R75 PolarHBondContact O-N 3.34Å; Q72-G76 PolarHBondContact O-N 3.49Å
73A98.1Very high97.7Very high67 Ų6763.8 Ų63.855%0.55434%0.34SS*.Hα-helixtrans-63.7-39.1175.200000111.7A69 V70 G76 Y77A69-A73 WeakPolarHBondContact O-CB 3.45Å; A69-A73 PolarHBondContact O-N 3.12Å; V70-A73 PolarHBondContact O-N 3.45Å; A73-G76 PolarHBondContact O-N 3.23Å; A73-Y77 WeakPolarHBondContact O-CB 3.19Å; A73-Y77 PolarHBondContact O-N 3.05Å
74S97.8Very high97.7Very high16 Ų1664.3 Ų64.311%0.11235%0.353CS..Hα-helixtrans-62.2-41.6176.6-174.80000111.5V70 T71 Q72 Y77 Y78 W106V70-S74 VanDerWaalsContact O-CB 3.26Å; V70-S74 WeakPolarHBondContact O-CB 3.47Å; V70-S74 PolarHBondContact O-N 3.14Å; T71-S74 WeakPolarHBondContact O-CB 3.49Å; T71-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact C-N 3.31Å; Q72-S74 PolarHBondContact O-N 3.04Å; S74-Y77 PolarHBondContact O-N 2.84Å; S74-Y78 WeakPolarHBondContact O-CD2 3.2Å; S74-Y78 PolarHBondContact O-N 2.81Å; S74-Y78 WeakPolarHBondContact OG-CD2 3.5Å; S74-Y78 VanDerWaalsContact OG-CE2 3.29Å; S74-Y78 WeakPolarHBondContact OG-CE2 3.45Å; S74-W106 PolarHBondContact OG-NE1 3Å
75R97.7Very high97.5Very high71 Ų7165.4 Ų65.427%0.26836%0.358SS..Hα-helixtrans-58.6-54.6174.6-76.7172.6174.7154.9-7111.7T71 Q72 Y77 Y78 D79 E103 D107T71-R75 PolarHBondContact O-N 3.07Å; Q72-R75 PolarHBondContact O-N 3.34Å; R75-Y77 VanDerWaalsContact C-N 3.26Å; R75-Y77 PolarHBondContact O-N 2.78Å; R75-Y78 PolarHBondContact O-N 3.28Å; R75-Y78 VanDerWaalsContact O-N 3.08Å; R75-D79 PolarHBondContact O-N 3.42Å; R75-E103 HydrophobicContact CG-CG 4Å; R75-D107 IonicContact CZ-OD1 3.61Å; R75-D107 IonicContact CZ-OD2 2.74Å; R75-D107 IonicContact NH2-OD1 3.96Å; R75-D107 PolarHBondContact NH2-OD1 2.74Å; R75-D107 IonicContact NH2-OD2 2.75Å; R75-D107 PolarHBondContact NH2-OD2 3.29Å
76G98Very high97.3Very high38 Ų3865.1 Ų65.139%0.39236%0.358SS..Hα-helixtrans-60.5-34.7179.600000113.3Q72 A73 A80Q72-G76 PolarHBondContact O-N 3.49Å; A73-G76 PolarHBondContact O-N 3.23Å; G76-A80 PolarHBondContact O-N 3.36Å
77Y97.9Very high97.1Very high145 Ų14566.9 Ų66.957%0.56936%0.363SS*.Hα-helixtrans-64.6-49.2172.4170.3-116.2000112.2A73 S74 R75 A80 V81A73-Y77 WeakPolarHBondContact O-CB 3.19Å; A73-Y77 PolarHBondContact O-N 3.05Å; S74-Y77 PolarHBondContact O-N 2.84Å; R75-Y77 VanDerWaalsContact C-N 3.26Å; R75-Y77 PolarHBondContact O-N 2.78Å; Y77-A80 PolarHBondContact O-N 3.41Å; Y77-V81 HydrophobicContact CD2-CG2 4.31Å; Y77-V81 HydrophobicContact CE1-CG2 4.15Å; Y77-V81 HydrophobicContact CE2-CG2 3.82Å; Y77-V81 WeakPolarHBondContact O-CG2 3.28Å; Y77-V81 PolarHBondContact O-N 3.19Å
78Y97.8Very high97Very high32 Ų3273.3 Ų73.313%0.12540%0.398CS..Hα-helixtrans-73-27.1-178.4-75.9-57.7000113.8S74 R75 V81 R82 T99 L102 L225S74-Y78 WeakPolarHBondContact O-CD2 3.2Å; S74-Y78 PolarHBondContact O-N 2.81Å; S74-Y78 WeakPolarHBondContact OG-CD2 3.5Å; S74-Y78 VanDerWaalsContact OG-CE2 3.29Å; S74-Y78 WeakPolarHBondContact OG-CE2 3.45Å; R75-Y78 PolarHBondContact O-N 3.28Å; R75-Y78 VanDerWaalsContact O-N 3.08Å; Y78-V81 HydrophobicContact CD1-CB 4.41Å; Y78-V81 HydrophobicContact CD1-CG2 4.34Å; Y78-V81 PolarHBondContact O-N 3.46Å; Y78-R82 WeakPolarHBondContact O-CG 3.48Å; Y78-R82 PolarHBondContact O-N 3Å; Y78-T99 HydrophobicContact CD1-CG2 3.4Å; Y78-T99 VanDerWaalsContact CD1-CG2 3.4Å; Y78-T99 HydrophobicContact CE1-CG2 4.14Å; Y78-T99 HydrophobicContact CG-CG2 3.93Å; Y78-L102 HydrophobicContact CE1-CD1 4.17Å; Y78-L102 HydrophobicContact CE2-CB 4.47Å; Y78-L102 HydrophobicContact CE2-CD1 4Å; Y78-L225 WeakPolarHBondContact OH-CD2 3.31Å
79D97.9Very high96.8Very high71 Ų7175 Ų7538%0.3840%0.401SS..Hα-helixtrans-55.8-52.8165.6-78.5-40.1000110.5R75 V81 R82 E83R75-D79 PolarHBondContact O-N 3.42Å; D79-V81 VanDerWaalsContact C-N 3.31Å; D79-V81 PolarHBondContact O-N 2.95Å; D79-R82 WeakPolarHBondContact O-CB 3.43Å; D79-R82 PolarHBondContact O-N 3.23Å; D79-R82 VanDerWaalsContact O-N 3.08Å; D79-R82 IonicContact OD1-CZ 2.76Å; D79-R82 IonicContact OD1-NE 3.81Å; D79-R82 IonicContact OD1-NH2 2.74Å; D79-R82 PolarHBondContact OD1-NH2 3.23Å; D79-E83 WeakPolarHBondContact O-CG 3.45Å; D79-E83 PolarHBondContact O-N 3.25Å
80A98Very high96.5Very high44 Ų4476.9 Ų76.936%0.36441%0.406SS..Hα-helixtrans-62.9-35.4177.600000112.6G76 Y77 E83 T84G76-A80 PolarHBondContact O-N 3.36Å; Y77-A80 PolarHBondContact O-N 3.41Å; A80-E83 PolarHBondContact O-N 2.67Å; A80-T84 WeakPolarHBondContact O-CB 3.38Å; A80-T84 VanDerWaalsContact O-CG2 3.26Å; A80-T84 WeakPolarHBondContact O-CG2 3.43Å; A80-T84 PolarHBondContact O-N 2.63Å; A80-T84 PolarHBondContact O-OG1 3.01Å
81V96.3Very high96.4Very high31 Ų3174.8 Ų74.819%0.18840%0.4CS..Hα-helixtrans-61.8-44.8172.4171.60000110.8Y77 Y78 D79 E83 T84 Y85 V95Y77-V81 HydrophobicContact CD2-CG2 4.31Å; Y77-V81 HydrophobicContact CE1-CG2 4.15Å; Y77-V81 HydrophobicContact CE2-CG2 3.82Å; Y77-V81 WeakPolarHBondContact O-CG2 3.28Å; Y77-V81 PolarHBondContact O-N 3.19Å; Y78-V81 HydrophobicContact CD1-CB 4.41Å; Y78-V81 HydrophobicContact CD1-CG2 4.34Å; Y78-V81 PolarHBondContact O-N 3.46Å; D79-V81 VanDerWaalsContact C-N 3.31Å; D79-V81 PolarHBondContact O-N 2.95Å; V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 3.21Å; V81-T84 PolarHBondContact O-N 2.93Å; V81-T84 PolarHBondContact O-OG1 3.2Å; V81-Y85 WeakPolarHBondContact O-CB 3.49Å; V81-Y85 PolarHBondContact O-N 3.39Å; V81-V95 HydrophobicContact CG1-CG1 4.4Å
82R96.6Very high96.3Very high50 Ų5074.8 Ų74.819%0.18940%0.401CS..Hα-helixtrans-64.7-35.9177.8-73.7-174.2-72.3-108.97.4112.7Y78 D79 K96 T99 E103Y78-R82 WeakPolarHBondContact O-CG 3.48Å; Y78-R82 PolarHBondContact O-N 3Å; D79-R82 WeakPolarHBondContact O-CB 3.43Å; D79-R82 PolarHBondContact O-N 3.23Å; D79-R82 VanDerWaalsContact O-N 3.08Å; D79-R82 IonicContact OD1-CZ 2.76Å; D79-R82 IonicContact OD1-NE 3.81Å; D79-R82 IonicContact OD1-NH2 2.74Å; D79-R82 PolarHBondContact OD1-NH2 3.23Å; R82-K96 HydrophobicContact CG-CG 4.21Å; R82-T99 WeakPolarHBondContact CD-OG1 3.46Å; R82-T99 HydrophobicContact CG-CG2 4.4Å; R82-T99 WeakPolarHBondContact CG-OG1 3.46Å; R82-T99 PolarHBondContact NH1-OG1 3.44Å; R82-E103 IonicContact CZ-OE1 3.01Å; R82-E103 VanDerWaalsContact CZ-OE1 3.23Å; R82-E103 IonicContact NH1-OE1 3.07Å; R82-E103 PolarHBondContact NH1-OE1 3.12Å; R82-E103 IonicContact NH1-OE2 2.59Å; R82-E103 IonicContact NH2-OE1 2.68Å; R82-E103 PolarHBondContact NH2-OE1 3.14Å; R82-E103 IonicContact NH2-OE2 3.11Å
83E96.3Very high96.2Very high164 Ų16475.9 Ų75.977%0.76641%0.406SS*.Hα-helixtrans-72.5-34.7177.7-71177.4175.300113D79 A80 V81D79-E83 WeakPolarHBondContact O-CG 3.45Å; D79-E83 PolarHBondContact O-N 3.25Å; A80-E83 PolarHBondContact O-N 2.67Å; V81-E83 VanDerWaalsContact C-N 3.33Å; V81-E83 PolarHBondContact O-N 3.21Å
84T96.5Very high96.1Very high104 Ų10476.1 Ų76.164%0.63840%0.395SS*.Hα-helixtrans-87-21.2-177.553.80000113.6A80 V81 D86A80-T84 WeakPolarHBondContact O-CB 3.38Å; A80-T84 VanDerWaalsContact O-CG2 3.26Å; A80-T84 WeakPolarHBondContact O-CG2 3.43Å; A80-T84 PolarHBondContact O-N 2.63Å; A80-T84 PolarHBondContact O-OG1 3.01Å; V81-T84 PolarHBondContact O-N 2.93Å; V81-T84 PolarHBondContact O-OG1 3.2Å; T84-D86 PolarHBondContact O-N 3.22Å
85Y95.5Very high96.1Very high27 Ų2775.4 Ų75.411%0.10639%0.39CS..SBendtrans-79.7111.4175-158.4-89.7000110.3V81 W89 T90 A92 V95 V232V81-Y85 WeakPolarHBondContact O-CB 3.49Å; V81-Y85 PolarHBondContact O-N 3.39Å; Y85-W89 HydrophobicContact CD1-CB 4.22Å; Y85-W89 HydrophobicContact CD1-CE3 4.25Å; Y85-W89 AromaticContact CD2-CE3 3.73Å; Y85-W89 HydrophobicContact CD2-CE3 3.73Å; Y85-W89 HydrophobicContact CD2-CZ3 4.08Å; Y85-W89 HydrophobicContact CE1-CB 3.62Å; Y85-W89 HydrophobicContact CE1-CE3 4.28Å; Y85-W89 AromaticContact CE2-CE3 3.75Å; Y85-W89 HydrophobicContact CE2-CE3 3.75Å; Y85-W89 HydrophobicContact CE2-CZ3 4.36Å; Y85-W89 HydrophobicContact CG-CE3 4Å; Y85-T90 PolarHBondContact OH-O 3.39Å; Y85-A92 HydrophobicContact CD1-CB 3.88Å; Y85-A92 HydrophobicContact CE1-CB 3.93Å; Y85-V95 HydrophobicContact CD1-CB 4.4Å; Y85-V95 HydrophobicContact CD1-CG2 4.15Å; Y85-V95 HydrophobicContact CD2-CG2 4.44Å; Y85-V95 HydrophobicContact CE1-CG2 3.84Å; Y85-V95 HydrophobicContact CE2-CG2 4.18Å; Y85-V95 HydrophobicContact CG-CG1 4.33Å; Y85-V95 HydrophobicContact CG-CG2 4.42Å; Y85-V232 HydrophobicContact CE2-CB 4.45Å; Y85-V232 HydrophobicContact CE2-CG1 4.21Å; Y85-V232 HydrophobicContact CE2-CG2 3.81Å
86D92.9Very high96.1Very high71 Ų7175 Ų7538%0.3839%0.391SS..  trans-58.9139.8-176.3-161.4-40.9000111.4T84 D88 W89 A92T84-D86 PolarHBondContact O-N 3.22Å; D86-D88 PolarHBondContact O-N 3.35Å; D86-D88 PolarHBondContact OD1-N 2.99Å; D86-W89 HydrophobicContact CB-CB 4.41Å; D86-W89 HydrophobicContact CB-CD2 3.6Å; D86-W89 HydrophobicContact CB-CE3 4.25Å; D86-W89 HydrophobicContact CB-CG 3.67Å; D86-W89 HydrophobicContact CB-CZ2 4.12Å; D86-W89 WeakPolarHBondContact O-CB 3.26Å; D86-W89 PolarHBondContact O-N 3.43Å; D86-W89 VanDerWaalsContact O-N 3.08Å; D86-A92 WeakPolarHBondContact O-CB 3.45Å
87N95.3Very high96.1Very high106 Ų10675.6 Ų75.657%0.56739%0.392SS*.THydrogen-bonded Turntrans-65.5-24.2177.9-65.6-70.8000112.2W89 K96N87-W89 VanDerWaalsContact C-N 3.3Å; N87-K96 PolarHBondContact OD1-NZ 3.17Å
88D93.9Very high96.1Very high149 Ų14968.9 Ų68.980%0.79737%0.366SS*.THydrogen-bonded Turntrans-82.3-8.2176.9-68.2-24.6000112.7D86D86-D88 PolarHBondContact O-N 3.35Å; D86-D88 PolarHBondContact OD1-N 2.99Å
89W94.5Very high96.1Very high139 Ų13967.3 Ų67.353%0.52736%0.36SS..SBendtrans-78.2153.6179.5-69.1-0.7000112.7Y85 D86 N87 G91 A92Y85-W89 HydrophobicContact CD1-CB 4.22Å; Y85-W89 HydrophobicContact CD1-CE3 4.25Å; Y85-W89 AromaticContact CD2-CE3 3.73Å; Y85-W89 HydrophobicContact CD2-CE3 3.73Å; Y85-W89 HydrophobicContact CD2-CZ3 4.08Å; Y85-W89 HydrophobicContact CE1-CB 3.62Å; Y85-W89 HydrophobicContact CE1-CE3 4.28Å; Y85-W89 AromaticContact CE2-CE3 3.75Å; Y85-W89 HydrophobicContact CE2-CE3 3.75Å; Y85-W89 HydrophobicContact CE2-CZ3 4.36Å; Y85-W89 HydrophobicContact CG-CE3 4Å; D86-W89 HydrophobicContact CB-CB 4.41Å; D86-W89 HydrophobicContact CB-CD2 3.6Å; D86-W89 HydrophobicContact CB-CE3 4.25Å; D86-W89 HydrophobicContact CB-CG 3.67Å; D86-W89 HydrophobicContact CB-CZ2 4.12Å; D86-W89 WeakPolarHBondContact O-CB 3.26Å; D86-W89 PolarHBondContact O-N 3.43Å; D86-W89 VanDerWaalsContact O-N 3.08Å; N87-W89 VanDerWaalsContact C-N 3.3Å; W89-G91 PolarHBondContact O-N 2.9Å; W89-A92 PolarHBondContact O-N 3.04Å
90T92.2Very high96.1Very high104 Ų10468.7 Ų68.764%0.63836%0.363SS*.THydrogen-bonded Turntrans-58.2124.6-177.3-63.20000110.5Y85 A92Y85-T90 PolarHBondContact OH-O 3.39Å; T90-A92 PolarHBondContact O-N 3.48Å
91G94.7Very high96.1Very high31 Ų3168.8 Ų68.832%0.3236%0.361SS..THydrogen-bonded Turntrans70.122.7176.400000115.3W89 E93 H94 V95W89-G91 PolarHBondContact O-N 2.9Å; G91-E93 VanDerWaalsContact C-N 3.31Å; G91-E93 PolarHBondContact O-N 3.04Å; G91-H94 CarbonylContact O-C 3.6Å; G91-H94 WeakPolarHBondContact O-CA 3.46Å; G91-H94 VanDerWaalsContact O-CB 3.28Å; G91-H94 WeakPolarHBondContact O-CB 3.3Å; G91-H94 PolarHBondContact O-N 3.22Å; G91-V95 PolarHBondContact O-N 3.01Å
92A95.9Very high96.2Very high6 Ų667.5 Ų67.55%0.0535%0.353CS..Hα-helixtrans-50.9-45.517800000113.7Y85 D86 W89 T90 H94 V95 K96Y85-A92 HydrophobicContact CD1-CB 3.88Å; Y85-A92 HydrophobicContact CE1-CB 3.93Å; D86-A92 WeakPolarHBondContact O-CB 3.45Å; W89-A92 PolarHBondContact O-N 3.04Å; T90-A92 PolarHBondContact O-N 3.48Å; A92-H94 VanDerWaalsContact C-N 3.26Å; A92-H94 PolarHBondContact O-N 3.24Å; A92-V95 WeakPolarHBondContact O-CB 3.14Å; A92-V95 PolarHBondContact O-N 2.99Å; A92-K96 WeakPolarHBondContact O-CG 3.41Å; A92-K96 PolarHBondContact O-N 2.72Å
93E96.5Very high96.2Very high127 Ų12766.1 Ų66.159%0.59335%0.349SS*.Hα-helixtrans-63.9-32.4175-66.9-55119.600112.7G91 K96 A97G91-E93 VanDerWaalsContact C-N 3.31Å; G91-E93 PolarHBondContact O-N 3.04Å; E93-K96 PolarHBondContact O-N 3.42Å; E93-K96 IonicContact OE1-NZ 3.48Å; E93-K96 PolarHBondContact OE1-NZ 3.44Å; E93-A97 WeakPolarHBondContact O-CB 3.19Å; E93-A97 PolarHBondContact O-N 3.41Å
94H96.5Very high96.3Very high72 Ų7262 Ų6233%0.33333%0.332SS..Hα-helixtrans-71.2-40.1176.2-163.5-172.3000111.3G91 A92 K96 A97 I98 E227 V231G91-H94 CarbonylContact O-C 3.6Å; G91-H94 WeakPolarHBondContact O-CA 3.46Å; G91-H94 VanDerWaalsContact O-CB 3.28Å; G91-H94 WeakPolarHBondContact O-CB 3.3Å; G91-H94 PolarHBondContact O-N 3.22Å; A92-H94 VanDerWaalsContact C-N 3.26Å; A92-H94 PolarHBondContact O-N 3.24Å; H94-K96 VanDerWaalsContact C-N 3.31Å; H94-K96 PolarHBondContact O-N 2.96Å; H94-A97 PolarHBondContact O-N 3.35Å; H94-I98 VanDerWaalsContact O-CG1 3.26Å; H94-I98 WeakPolarHBondContact O-CG1 3.45Å; H94-I98 PolarHBondContact O-N 2.91Å; H94-E227 IonicContact CE1-OE1 2.67Å; H94-E227 PolarHBondContact CE1-OE1 3.29Å; H94-E227 IonicContact NE2-OE1 3.79Å; H94-E227 PolarHBondContact NE2-OE1 2.95Å; H94-E227 VanDerWaalsContact NE2-OE1 3.09Å; H94-V231 HydrophobicContact CB-CG1 4.42Å; H94-V231 HydrophobicContact CB-CG2 4.31Å; H94-V231 WeakPolarHBondContact ND1-CG2 3.43Å
95V97.1Very high96.4Very high2 Ų258.3 Ų58.31%0.01231%0.308CS..Hα-helixtrans-56.9-45.2171.2173.20000110.6V81 Y85 G91 A92 A97 I98 T99 M228 V231 V232V81-V95 HydrophobicContact CG1-CG1 4.4Å; Y85-V95 HydrophobicContact CD1-CB 4.4Å; Y85-V95 HydrophobicContact CD1-CG2 4.15Å; Y85-V95 HydrophobicContact CD2-CG2 4.44Å; Y85-V95 HydrophobicContact CE1-CG2 3.84Å; Y85-V95 HydrophobicContact CE2-CG2 4.18Å; Y85-V95 HydrophobicContact CG-CG1 4.33Å; Y85-V95 HydrophobicContact CG-CG2 4.42Å; G91-V95 PolarHBondContact O-N 3.01Å; A92-V95 WeakPolarHBondContact O-CB 3.14Å; A92-V95 PolarHBondContact O-N 2.99Å; V95-A97 PolarHBondContact O-N 3.23Å; V95-I98 PolarHBondContact O-N 2.67Å; V95-T99 HydrophobicContact CG1-CG2 4.46Å; V95-T99 WeakPolarHBondContact O-CG2 3.33Å; V95-T99 PolarHBondContact O-N 3.29Å; V95-T99 PolarHBondContact O-OG1 3.02Å; V95-M228 HydrophobicContact CB-CE 4.42Å; V95-M228 HydrophobicContact CB-SD 3.96Å; V95-M228 HydrophobicContact CG1-CE 3.95Å; V95-M228 HydrophobicContact CG1-SD 3.75Å; V95-M228 HydrophobicContact CG2-SD 3.74Å; V95-M228 WeakPolarHBondContact O-CE 3.49Å; V95-V231 HydrophobicContact CG2-CG1 3.77Å; V95-V232 HydrophobicContact CG2-CG2 4.07Å
96K97.4Very high96.5Very high62 Ų6259 Ų5927%0.2731%0.311SS..Hα-helixtrans-61.2-44.6175.8-66.5173.4-170.2166.80112R82 N87 A92 E93 H94 T99 H100R82-K96 HydrophobicContact CG-CG 4.21Å; N87-K96 PolarHBondContact OD1-NZ 3.17Å; A92-K96 WeakPolarHBondContact O-CG 3.41Å; A92-K96 PolarHBondContact O-N 2.72Å; E93-K96 PolarHBondContact O-N 3.42Å; E93-K96 IonicContact OE1-NZ 3.48Å; E93-K96 PolarHBondContact OE1-NZ 3.44Å; H94-K96 VanDerWaalsContact C-N 3.31Å; H94-K96 PolarHBondContact O-N 2.96Å; K96-T99 PolarHBondContact O-OG1 2.94Å; K96-H100 WeakPolarHBondContact O-CB 3.27Å; K96-H100 PolarHBondContact O-N 3.32Å
97A98Very high96.7Very high51 Ų5158.3 Ų58.342%0.42131%0.307SS..Hα-helixtrans-64.2-42.8179.100000112.9E93 H94 V95 S101E93-A97 WeakPolarHBondContact O-CB 3.19Å; E93-A97 PolarHBondContact O-N 3.41Å; H94-A97 PolarHBondContact O-N 3.35Å; V95-A97 PolarHBondContact O-N 3.23Å; A97-S101 WeakPolarHBondContact O-CB 3.49Å; A97-S101 PolarHBondContact O-N 2.85Å; A97-S101 PolarHBondContact O-OG 2.59Å
98I98Very high96.9Very high3 Ų359 Ų592%0.01531%0.307CS..Hα-helixtrans-68.7-43.8179.5-62.7162.5000110.8H94 V95 H100 S101 L102 L224 E227 M228 V231H94-I98 VanDerWaalsContact O-CG1 3.26Å; H94-I98 WeakPolarHBondContact O-CG1 3.45Å; H94-I98 PolarHBondContact O-N 2.91Å; V95-I98 PolarHBondContact O-N 2.67Å; I98-H100 VanDerWaalsContact C-N 3.32Å; I98-H100 PolarHBondContact O-N 3.38Å; I98-S101 PolarHBondContact O-N 3.34Å; I98-L102 HydrophobicContact CG2-CD1 4.3Å; I98-L102 WeakPolarHBondContact O-CG 3.31Å; I98-L102 PolarHBondContact O-N 2.82Å; I98-L224 HydrophobicContact CG2-CB 3.96Å; I98-L224 HydrophobicContact CG2-CD2 4.35Å; I98-L224 WeakPolarHBondContact CG2-O 3.17Å; I98-E227 HydrophobicContact CD1-CB 4.16Å; I98-E227 HydrophobicContact CD1-CG 3.79Å; I98-E227 HydrophobicContact CG1-CG 4.45Å; I98-M228 HydrophobicContact CB-CE 3.57Å; I98-M228 HydrophobicContact CD1-CB 4.28Å; I98-M228 HydrophobicContact CD1-CE 4.37Å; I98-M228 HydrophobicContact CD1-SD 4.24Å; I98-M228 HydrophobicContact CG2-CB 4.14Å; I98-M228 HydrophobicContact CG2-CE 3.61Å; I98-V231 HydrophobicContact CD1-CG2 4.23Å
99T97.7Very high97.1Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-62.1-41177.751.40000111.6Y78 R82 V95 K96 L102 E103 M228Y78-T99 HydrophobicContact CD1-CG2 3.4Å; Y78-T99 VanDerWaalsContact CD1-CG2 3.4Å; Y78-T99 HydrophobicContact CE1-CG2 4.14Å; Y78-T99 HydrophobicContact CG-CG2 3.93Å; R82-T99 WeakPolarHBondContact CD-OG1 3.46Å; R82-T99 HydrophobicContact CG-CG2 4.4Å; R82-T99 WeakPolarHBondContact CG-OG1 3.46Å; R82-T99 PolarHBondContact NH1-OG1 3.44Å; V95-T99 HydrophobicContact CG1-CG2 4.46Å; V95-T99 WeakPolarHBondContact O-CG2 3.33Å; V95-T99 PolarHBondContact O-N 3.29Å; V95-T99 PolarHBondContact O-OG1 3.02Å; K96-T99 PolarHBondContact O-OG1 2.94Å; T99-L102 PolarHBondContact O-N 3.48Å; T99-E103 WeakPolarHBondContact O-CG 3.36Å; T99-E103 PolarHBondContact O-N 3.2Å; T99-M228 HydrophobicContact CG2-CE 3.45Å; T99-M228 VanDerWaalsContact CG2-CE 3.45Å
100H97.6Very high97.2Very high99 Ų9946.2 Ų46.246%0.45825%0.248SC..Hα-helixtrans-65-39.9173.8-173.352.8000112.5K96 I98 L102 E103 L104K96-H100 WeakPolarHBondContact O-CB 3.27Å; K96-H100 PolarHBondContact O-N 3.32Å; I98-H100 VanDerWaalsContact C-N 3.32Å; I98-H100 PolarHBondContact O-N 3.38Å; H100-L102 VanDerWaalsContact C-N 3.29Å; H100-L102 PolarHBondContact O-N 3.42Å; H100-E103 IonicContact ND1-OE2 3.66Å; H100-E103 PolarHBondContact ND1-OE2 3.35Å; H100-E103 VanDerWaalsContact ND1-OE2 3.14Å; H100-E103 WeakPolarHBondContact O-CB 3.29Å; H100-E103 PolarHBondContact O-N 2.95Å; H100-E103 VanDerWaalsContact O-N 3.12Å; H100-L104 PolarHBondContact O-N 3.46Å; H100-L104 VanDerWaalsContact O-N 3.14Å
101S98.3Very high97.5Very high46 Ų4647.2 Ų47.232%0.32225%0.246SC..Hα-helixtrans-62.6-36.5176-57.50000112.3A97 I98 E103 L104 L105A97-S101 WeakPolarHBondContact O-CB 3.49Å; A97-S101 PolarHBondContact O-N 2.85Å; A97-S101 PolarHBondContact O-OG 2.59Å; I98-S101 PolarHBondContact O-N 3.34Å; S101-E103 VanDerWaalsContact C-N 3.32Å; S101-E103 PolarHBondContact O-N 3.32Å; S101-L104 PolarHBondContact O-N 3.09Å; S101-L105 PolarHBondContact O-N 3.1Å; S101-L105 VanDerWaalsContact O-N 3.07Å
102L98.2Very high97.7Very high4 Ų449.5 Ų49.52%0.02125%0.247CC..Hα-helixtrans-63.8-36.7173.8-76.2165.7000112.1Y78 I98 T99 H100 L105 W106 L224 L225Y78-L102 HydrophobicContact CE1-CD1 4.17Å; Y78-L102 HydrophobicContact CE2-CB 4.47Å; Y78-L102 HydrophobicContact CE2-CD1 4Å; I98-L102 HydrophobicContact CG2-CD1 4.3Å; I98-L102 WeakPolarHBondContact O-CG 3.31Å; I98-L102 PolarHBondContact O-N 2.82Å; T99-L102 PolarHBondContact O-N 3.48Å; H100-L102 VanDerWaalsContact C-N 3.29Å; H100-L102 PolarHBondContact O-N 3.42Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-W106 PolarHBondContact O-N 2.94Å; L102-W106 VanDerWaalsContact O-N 3.1Å; L102-L224 HydrophobicContact CD2-CB 3.87Å; L102-L224 HydrophobicContact CD2-CD1 3.9Å; L102-L224 HydrophobicContact CG-CB 4.08Å; L102-L224 HydrophobicContact CG-CD1 3.92Å; L102-L225 HydrophobicContact CD1-CD2 3.89Å; L102-L225 HydrophobicContact CD1-CG 4.5Å; L102-L225 HydrophobicContact CD2-CD2 4.49Å; L102-L225 HydrophobicContact CD2-CG 4.32Å
103E97.5Very high97.8Very high21 Ų2149.2 Ų49.210%0.09825%0.245CC..Hα-helixtrans-64-45.1175.6-65.1163.5178.700111.6R75 R82 T99 H100 S101 L105 W106 D107R75-E103 HydrophobicContact CG-CG 4Å; R82-E103 IonicContact CZ-OE1 3.01Å; R82-E103 VanDerWaalsContact CZ-OE1 3.23Å; R82-E103 IonicContact NH1-OE1 3.07Å; R82-E103 PolarHBondContact NH1-OE1 3.12Å; R82-E103 IonicContact NH1-OE2 2.59Å; R82-E103 IonicContact NH2-OE1 2.68Å; R82-E103 PolarHBondContact NH2-OE1 3.14Å; R82-E103 IonicContact NH2-OE2 3.11Å; T99-E103 WeakPolarHBondContact O-CG 3.36Å; T99-E103 PolarHBondContact O-N 3.2Å; H100-E103 IonicContact ND1-OE2 3.66Å; H100-E103 PolarHBondContact ND1-OE2 3.35Å; H100-E103 VanDerWaalsContact ND1-OE2 3.14Å; H100-E103 WeakPolarHBondContact O-CB 3.29Å; H100-E103 PolarHBondContact O-N 2.95Å; H100-E103 VanDerWaalsContact O-N 3.12Å; S101-E103 VanDerWaalsContact C-N 3.32Å; S101-E103 PolarHBondContact O-N 3.32Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.33Å; E103-W106 WeakPolarHBondContact O-CB 3.46Å; E103-W106 PolarHBondContact O-N 3.18Å; E103-D107 PolarHBondContact O-N 3.11Å
104L98.1Very high97.8Very high78 Ų7844.2 Ų44.241%0.40822%0.223SC..Hα-helixtrans-60.4-42.2176.3-63.9176.1000111.4H100 S101 W106 D107 E108H100-L104 PolarHBondContact O-N 3.46Å; H100-L104 VanDerWaalsContact O-N 3.14Å; S101-L104 PolarHBondContact O-N 3.09Å; L104-W106 VanDerWaalsContact C-N 3.33Å; L104-W106 PolarHBondContact O-N 2.8Å; L104-D107 PolarHBondContact O-N 2.68Å; L104-E108 WeakPolarHBondContact O-CB 3.49Å; L104-E108 WeakPolarHBondContact O-CG 3.4Å; L104-E108 PolarHBondContact O-N 2.92Å
105L98.2Very high97.9Very high26 Ų2645 Ų4514%0.13623%0.227CC..Hα-helixtrans-61.5-39.1175.4-73.6-174.9000112.9S101 L102 E103 Y109 F217 D220 L224S101-L105 PolarHBondContact O-N 3.1Å; S101-L105 VanDerWaalsContact O-N 3.07Å; L102-L105 PolarHBondContact O-N 3.46Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.33Å; L105-Y109 VanDerWaalsContact O-CB 3.27Å; L105-Y109 WeakPolarHBondContact O-CB 3.49Å; L105-Y109 PolarHBondContact O-N 2.91Å; L105-F217 HydrophobicContact CB-CD2 4.26Å; L105-F217 HydrophobicContact CB-CE2 4.19Å; L105-D220 HydrophobicContact CD1-CB 3.76Å; L105-D220 HydrophobicContact CD2-CB 4.15Å; L105-L224 HydrophobicContact CD1-CD1 3.5Å; L105-L224 HydrophobicContact CD1-CG 4.45Å; L105-L224 HydrophobicContact CG-CD1 4.25Å
106W98.2Very high97.9Very high43 Ų4350.3 Ų50.316%0.16325%0.251CS..Hα-helixtrans-64.9-41.3175.6-79.9117.1000112.1L67 V70 T71 S74 L102 E103 L104 T110 F217L67-W106 HydrophobicContact CD1-CE3 3.88Å; L67-W106 HydrophobicContact CD1-CZ3 3.43Å; L67-W106 VanDerWaalsContact CD1-CZ3 3.43Å; V70-W106 HydrophobicContact CG1-CH2 3.69Å; V70-W106 HydrophobicContact CG1-CZ2 4.06Å; V70-W106 HydrophobicContact CG1-CZ3 4.18Å; T71-W106 HydrophobicContact CG2-CB 3.66Å; T71-W106 HydrophobicContact CG2-CG 4.36Å; S74-W106 PolarHBondContact OG-NE1 3Å; L102-W106 PolarHBondContact O-N 2.94Å; L102-W106 VanDerWaalsContact O-N 3.1Å; E103-W106 WeakPolarHBondContact O-CB 3.46Å; E103-W106 PolarHBondContact O-N 3.18Å; L104-W106 VanDerWaalsContact C-N 3.33Å; L104-W106 PolarHBondContact O-N 2.8Å; W106-T110 VanDerWaalsContact O-CB 3.29Å; W106-T110 WeakPolarHBondContact O-CB 3.25Å; W106-T110 PolarHBondContact O-N 2.92Å; W106-T110 PolarHBondContact O-OG1 3.24Å; W106-F217 AromaticContact CD2-CE2 3.85Å; W106-F217 HydrophobicContact CD2-CE2 3.85Å; W106-F217 AromaticContact CD2-CZ 3.59Å; W106-F217 HydrophobicContact CD2-CZ 3.59Å; W106-F217 AromaticContact CE2-CZ 3.75Å; W106-F217 HydrophobicContact CE3-CE1 4.15Å; W106-F217 AromaticContact CE3-CE2 3.8Å; W106-F217 HydrophobicContact CE3-CE2 3.8Å; W106-F217 AromaticContact CE3-CZ 3.36Å; W106-F217 HydrophobicContact CE3-CZ 3.36Å; W106-F217 HydrophobicContact CG-CE2 4.27Å; W106-F217 HydrophobicContact CG-CZ 4.43Å; W106-F217 AromaticContact CH2-CE1 3.88Å; W106-F217 HydrophobicContact CH2-CE1 3.88Å; W106-F217 AromaticContact CH2-CZ 3.52Å; W106-F217 HydrophobicContact CH2-CZ 3.52Å; W106-F217 HydrophobicContact CZ2-CE1 4.47Å; W106-F217 AromaticContact CZ2-CZ 3.75Å; W106-F217 HydrophobicContact CZ2-CZ 3.75Å; W106-F217 AromaticContact CZ3-CE1 3.69Å; W106-F217 HydrophobicContact CZ3-CE1 3.69Å; W106-F217 HydrophobicContact CZ3-CE2 4.19Å; W106-F217 AromaticContact CZ3-CZ 3.3Å; W106-F217 HydrophobicContact CZ3-CZ 3.3Å
107D97.9Very high97.8Very high56 Ų5647.4 Ų47.430%0.29924%0.239SC..Hα-helixtrans-64.3-50.9177.9-74.4-34.8000111.5R75 E103 L104 Y109 T110 E111R75-D107 IonicContact CZ-OD1 3.61Å; R75-D107 IonicContact CZ-OD2 2.74Å; R75-D107 IonicContact NH2-OD1 3.96Å; R75-D107 PolarHBondContact NH2-OD1 2.74Å; R75-D107 IonicContact NH2-OD2 2.75Å; R75-D107 PolarHBondContact NH2-OD2 3.29Å; E103-D107 PolarHBondContact O-N 3.11Å; L104-D107 PolarHBondContact O-N 2.68Å; D107-Y109 VanDerWaalsContact C-N 3.3Å; D107-Y109 PolarHBondContact O-N 2.62Å; D107-T110 PolarHBondContact O-N 2.9Å; D107-E111 WeakPolarHBondContact O-CB 3.42Å; D107-E111 PolarHBondContact O-N 2.93Å
108E97.7Very high97.8Very high120 Ų12045.6 Ų45.656%0.56122%0.222SC*.Hα-helixtrans-57.3-43.3176.5-72.4176.6-172.900111.6L104 K112L104-E108 WeakPolarHBondContact O-CB 3.49Å; L104-E108 WeakPolarHBondContact O-CG 3.4Å; L104-E108 PolarHBondContact O-N 2.92Å; E108-K112 WeakPolarHBondContact O-CB 3.41Å; E108-K112 PolarHBondContact O-N 3.45Å
109Y98.5Very high97.7Very high8 Ų847.9 Ų47.93%0.03123%0.234CC..Hα-helixtrans-65.9-45.5178.9179.6-139.3000112Y63 L67 L105 D107 K112 L113 A213 E214 F217Y63-Y109 PolarHBondContact OH-OH 3.01Å; Y63-Y109 VanDerWaalsContact OH-OH 3.07Å; L67-Y109 HydrophobicContact CD1-CD1 3.92Å; L67-Y109 HydrophobicContact CD1-CE1 3.77Å; L67-Y109 HydrophobicContact CD2-CD1 3.74Å; L67-Y109 HydrophobicContact CD2-CE1 3.65Å; L67-Y109 HydrophobicContact CD2-CG 4.41Å; L67-Y109 HydrophobicContact CG-CD1 4.44Å; L67-Y109 HydrophobicContact CG-CE1 4.39Å; L105-Y109 VanDerWaalsContact O-CB 3.27Å; L105-Y109 WeakPolarHBondContact O-CB 3.49Å; L105-Y109 PolarHBondContact O-N 2.91Å; D107-Y109 VanDerWaalsContact C-N 3.3Å; D107-Y109 PolarHBondContact O-N 2.62Å; Y109-K112 PolarHBondContact O-N 3.37Å; Y109-L113 HydrophobicContact CD2-CD1 4.37Å; Y109-L113 HydrophobicContact CD2-CG 4.06Å; Y109-L113 HydrophobicContact CE1-CD1 4.34Å; Y109-L113 HydrophobicContact CE2-CD1 3.67Å; Y109-L113 HydrophobicContact CE2-CD2 3.88Å; Y109-L113 HydrophobicContact CE2-CG 3.64Å; Y109-L113 PolarHBondContact O-N 3.47Å; Y109-A213 HydrophobicContact CD2-CB 4.37Å; Y109-A213 HydrophobicContact CE2-CB 4.23Å; Y109-E214 HydrophobicContact CE2-CB 4.31Å; Y109-F217 HydrophobicContact CD1-CB 4.05Å; Y109-F217 AromaticContact CD1-CD1 3.51Å; Y109-F217 HydrophobicContact CD1-CD1 3.51Å; Y109-F217 AromaticContact CD1-CD2 3.84Å; Y109-F217 HydrophobicContact CD1-CD2 3.84Å; Y109-F217 AromaticContact CD1-CE1 3.9Å; Y109-F217 HydrophobicContact CD1-CE1 3.9Å; Y109-F217 HydrophobicContact CD1-CE2 4.2Å; Y109-F217 AromaticContact CD1-CG 3.49Å; Y109-F217 HydrophobicContact CD1-CG 3.49Å; Y109-F217 VanDerWaalsContact CD1-CG 3.49Å; Y109-F217 HydrophobicContact CD1-CZ 4.24Å; Y109-F217 HydrophobicContact CD2-CB 3.87Å; Y109-F217 HydrophobicContact CD2-CG 4.23Å; Y109-F217 AromaticContact CE1-CD1 3.7Å; Y109-F217 HydrophobicContact CE1-CD1 3.7Å; Y109-F217 HydrophobicContact CE1-CE1 4.14Å; Y109-F217 HydrophobicContact CE1-CG 4.08Å; Y109-F217 HydrophobicContact CE2-CB 4.35Å; Y109-F217 HydrophobicContact CG-CB 3.72Å; Y109-F217 HydrophobicContact CG-CD1 4.09Å; Y109-F217 AromaticContact CG-CD2 3.85Å; Y109-F217 HydrophobicContact CG-CD2 3.85Å; Y109-F217 AromaticContact CG-CG 3.59Å; Y109-F217 HydrophobicContact CG-CG 3.59Å
110T98Very high97.7Very high11 Ų1150.1 Ų50.17%0.06725%0.249CC..Hα-helixtrans-63.7-43.8179.7-58.70000111.6K68 T71 W106 D107 T114K68-T110 HydrophobicContact CD-CG2 4.17Å; K68-T110 HydrophobicContact CG-CG2 3.42Å; K68-T110 VanDerWaalsContact CG-CG2 3.42Å; T71-T110 PolarHBondContact OG1-OG1 3.48Å; W106-T110 VanDerWaalsContact O-CB 3.29Å; W106-T110 WeakPolarHBondContact O-CB 3.25Å; W106-T110 PolarHBondContact O-N 2.92Å; W106-T110 PolarHBondContact O-OG1 3.24Å; D107-T110 PolarHBondContact O-N 2.9Å; T110-T114 PolarHBondContact O-N 3.12Å; T110-T114 VanDerWaalsContact O-N 3.12Å; T110-T114 PolarHBondContact O-OG1 3.34Å
111E97.6Very high97.6Very high126 Ų12645.4 Ų45.459%0.58923%0.227SC*.Hα-helixtrans-63.7-46.9175.7-174.9175.8-169.800110.6D107 L113 T114 E115D107-E111 WeakPolarHBondContact O-CB 3.42Å; D107-E111 PolarHBondContact O-N 2.93Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.31Å; E111-T114 WeakPolarHBondContact O-CB 3.24Å; E111-T114 PolarHBondContact O-N 3.26Å; E111-E115 HydrophobicContact CG-CG 4.12Å; E111-E115 WeakPolarHBondContact O-CB 3.25Å; E111-E115 PolarHBondContact O-N 3.02Å
112K97.9Very high97.5Very high78 Ų7845.9 Ų45.934%0.33923%0.226SC..Hα-helixtrans-59.8-41.2179.6-175.2167.1-171.8174.80113.1E108 Y109 H116 A213E108-K112 WeakPolarHBondContact O-CB 3.41Å; E108-K112 PolarHBondContact O-N 3.45Å; Y109-K112 PolarHBondContact O-N 3.37Å; K112-H116 WeakPolarHBondContact O-CA 3.29Å; K112-H116 WeakPolarHBondContact O-CB 3.27Å; K112-H116 PolarHBondContact O-N 3Å; K112-A213 HydrophobicContact CD-CB 3.65Å; K112-A213 HydrophobicContact CG-CB 3.88Å
113L98.2Very high97.4Very high0 Ų050.3 Ų50.30%025%0.249CC..Hα-helixtrans-68-37174.3-69.1-170.1000112.4Y63 I64 L67 Y109 E111 S117 L118 L210 A213Y63-L113 HydrophobicContact CD1-CD1 4.03Å; Y63-L113 HydrophobicContact CE1-CD1 3.6Å; I64-L113 HydrophobicContact CD1-CB 3.91Å; I64-L113 HydrophobicContact CG1-CB 3.89Å; I64-L113 HydrophobicContact CG1-CD1 4.26Å; L67-L113 HydrophobicContact CD2-CD1 3.66Å; Y109-L113 HydrophobicContact CD2-CD1 4.37Å; Y109-L113 HydrophobicContact CD2-CG 4.06Å; Y109-L113 HydrophobicContact CE1-CD1 4.34Å; Y109-L113 HydrophobicContact CE2-CD1 3.67Å; Y109-L113 HydrophobicContact CE2-CD2 3.88Å; Y109-L113 HydrophobicContact CE2-CG 3.64Å; Y109-L113 PolarHBondContact O-N 3.47Å; E111-L113 VanDerWaalsContact C-N 3.35Å; E111-L113 PolarHBondContact O-N 3.31Å; L113-S117 WeakPolarHBondContact O-CA 3.19Å; L113-S117 VanDerWaalsContact O-CB 3.27Å; L113-S117 WeakPolarHBondContact O-CB 3.38Å; L113-S117 PolarHBondContact O-N 2.96Å; L113-L118 PolarHBondContact O-N 3.04Å; L113-L210 HydrophobicContact CD2-CG 4.4Å; L113-A213 HydrophobicContact CD2-CB 4.13Å
114T97.6Very high97.2Very high23 Ų2349.7 Ų49.714%0.14125%0.245CC..Iπ-helixtrans-65.9-54.8177.5-550000110.5T110 E111 L118 N119T110-T114 PolarHBondContact O-N 3.12Å; T110-T114 VanDerWaalsContact O-N 3.12Å; T110-T114 PolarHBondContact O-OG1 3.34Å; E111-T114 WeakPolarHBondContact O-CB 3.24Å; E111-T114 PolarHBondContact O-N 3.26Å; T114-L118 WeakPolarHBondContact O-CB 3.47Å; T114-N119 VanDerWaalsContact O-CG 3.28Å; T114-N119 PolarHBondContact O-N 2.77Å; T114-N119 PolarHBondContact O-OD1 2.86Å
115E97.6Very high97Very high89 Ų8946.3 Ų46.342%0.41623%0.228SC..Iπ-helixtrans-79.2-38.6-171-67.1-52.4128.400113.9E111 N119 P120E111-E115 HydrophobicContact CG-CG 4.12Å; E111-E115 WeakPolarHBondContact O-CB 3.25Å; E111-E115 PolarHBondContact O-N 3.02Å; E115-N119 VanDerWaalsContact CD-ND2 3.32Å; E115-N119 PolarHBondContact OE1-ND2 2.93Å; E115-N119 PolarHBondContact OE2-ND2 3.36Å; E115-P120 WeakPolarHBondContact O-CD 3.12Å
116H97.2Very high96.7Very high113 Ų11347.5 Ų47.552%0.52324%0.238SC..Iπ-helixtrans-107.3-8.7-172.1-58.6-59.5000114.2K112 T209K112-H116 WeakPolarHBondContact O-CA 3.29Å; K112-H116 WeakPolarHBondContact O-CB 3.27Å; K112-H116 PolarHBondContact O-N 3Å; H116-T209 HydrophobicContact CB-CG2 3.95Å
117S96.5Very high96.5Very high0 Ų047.7 Ų47.70%024%0.241CC..Iπ-helixtrans-115.5-59.6174.8-51.30000111.5L113 L121 H206L113-S117 WeakPolarHBondContact O-CA 3.19Å; L113-S117 VanDerWaalsContact O-CB 3.27Å; L113-S117 WeakPolarHBondContact O-CB 3.38Å; L113-S117 PolarHBondContact O-N 2.96Å; S117-L121 WeakPolarHBondContact O-CB 3.42Å; S117-L121 PolarHBondContact O-N 3.02Å; S117-H206 PolarHBondContact O-CE1 3.05Å
118L97.2Very high96.3Very high13 Ų1345.1 Ų45.17%0.06823%0.227CC..Iπ-helixtrans-67.3-46.9-175.4-179.365.7000112.6L60 L61 I64 L113 T114 L121 N122L60-L118 HydrophobicContact CD2-CB 4.29Å; L60-L118 HydrophobicContact CD2-CD1 4.37Å; L60-L118 HydrophobicContact CG-CD1 4.35Å; L61-L118 HydrophobicContact CB-CD1 4.19Å; L61-L118 HydrophobicContact CD1-CD2 3.79Å; I64-L118 HydrophobicContact CD1-CB 3.65Å; I64-L118 HydrophobicContact CD1-CD2 3.95Å; I64-L118 HydrophobicContact CD1-CG 4.29Å; L113-L118 PolarHBondContact O-N 3.04Å; T114-L118 WeakPolarHBondContact O-CB 3.47Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-N122 VanDerWaalsContact O-CG 3.26Å; L118-N122 PolarHBondContact O-N 2.89Å; L118-N122 PolarHBondContact O-ND2 2.87Å
119N96.9Very high96Very high52 Ų5243 Ų4328%0.27822%0.222SC..Hα-helixtrans-61.1-48.7-179.1-69.3-11.9000112.7T114 E115 L121 N122 I123T114-N119 VanDerWaalsContact O-CG 3.28Å; T114-N119 PolarHBondContact O-N 2.77Å; T114-N119 PolarHBondContact O-OD1 2.86Å; E115-N119 VanDerWaalsContact CD-ND2 3.32Å; E115-N119 PolarHBondContact OE1-ND2 2.93Å; E115-N119 PolarHBondContact OE2-ND2 3.36Å; N119-L121 VanDerWaalsContact C-N 3.27Å; N119-L121 PolarHBondContact O-N 2.86Å; N119-N122 WeakPolarHBondContact O-CB 3.27Å; N119-N122 PolarHBondContact O-N 3.31Å; N119-N122 VanDerWaalsContact O-N 3.16Å; N119-I123 WeakPolarHBondContact O-CG1 3.48Å; N119-I123 PolarHBondContact O-N 2.92Å
120P96.7Very high95.8Very high47 Ų4746.9 Ų46.931%0.30524%0.244SC..Hα-helixtrans-58.6-36.2173.1-28.837.3000113.8E115 Y124E115-P120 WeakPolarHBondContact O-CD 3.12Å; P120-Y124 WeakPolarHBondContact O-CB 3.46Å; P120-Y124 PolarHBondContact O-N 3.41Å
121L96.1Very high95.7Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-67.8-40.5175.7-177.160000112.1F53 L56 Q57 L60 S117 L118 N119 Y124 C125 F202F53-L121 HydrophobicContact CD1-CD1 4.1Å; L56-L121 HydrophobicContact CB-CD2 4.47Å; L56-L121 HydrophobicContact CD2-CD1 4.19Å; L56-L121 HydrophobicContact CD2-CD2 4.21Å; L56-L121 HydrophobicContact CG-CD2 3.85Å; Q57-L121 HydrophobicContact CB-CD2 4Å; Q57-L121 HydrophobicContact CB-CG 4.17Å; L60-L121 HydrophobicContact CB-CD2 4.44Å; L60-L121 HydrophobicContact CD2-CD2 3.84Å; S117-L121 WeakPolarHBondContact O-CB 3.42Å; S117-L121 PolarHBondContact O-N 3.02Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.45Å; N119-L121 VanDerWaalsContact C-N 3.27Å; N119-L121 PolarHBondContact O-N 2.86Å; L121-Y124 PolarHBondContact O-N 3.34Å; L121-C125 WeakPolarHBondContact O-CB 3.46Å; L121-C125 PolarHBondContact O-N 3.49Å; L121-C125 PolarHBondContact O-SG 3.23Å; L121-F202 HydrophobicContact CD1-CE1 4.25Å; L121-F202 HydrophobicContact CD1-CZ 4.15Å
122N95.6Very high95.5Very high55 Ų5544.4 Ų44.429%0.29423%0.23SC..Hα-helixtrans-59.8-46.5174.4-69-21.7000111.5Q57 L118 N119 Y124 C125 S126Q57-N122 WeakPolarHBondContact CG-OD1 3.49Å; Q57-N122 PolarHBondContact NE2-OD1 2.8Å; L118-N122 VanDerWaalsContact O-CG 3.26Å; L118-N122 PolarHBondContact O-N 2.89Å; L118-N122 PolarHBondContact O-ND2 2.87Å; N119-N122 WeakPolarHBondContact O-CB 3.27Å; N119-N122 PolarHBondContact O-N 3.31Å; N119-N122 VanDerWaalsContact O-N 3.16Å; N122-Y124 VanDerWaalsContact C-N 3.3Å; N122-Y124 PolarHBondContact O-N 3.13Å; N122-C125 PolarHBondContact O-N 2.88Å; N122-S126 PolarHBondContact O-N 2.93Å
123I95.8Very high95.4Very high98 Ų9843.5 Ų43.550%0.50324%0.238SC..Hα-helixtrans-63.3-37.6177.5-65.1165.7000111.1N119 S126 Q127N119-I123 WeakPolarHBondContact O-CG1 3.48Å; N119-I123 PolarHBondContact O-N 2.92Å; I123-S126 PolarHBondContact O-OG 3.38Å; I123-Q127 WeakPolarHBondContact O-CG 2.93Å; I123-Q127 PolarHBondContact O-NE2 2.97Å
124Y94.6Very high95.4Very high8 Ų847 Ų473%0.03125%0.253CS..Hα-helixtrans-69.3-42.3175.8178.9-97000112.2Q27 F53 P120 L121 N122 Q127 F128 L195 F202Q27-Y124 PolarHBondContact NE2-OH 3.4Å; F53-Y124 HydrophobicContact CB-CE1 4.45Å; F53-Y124 AromaticContact CD1-CD1 3.88Å; F53-Y124 HydrophobicContact CD1-CD1 3.88Å; F53-Y124 AromaticContact CD1-CE1 3.45Å; F53-Y124 HydrophobicContact CD1-CE1 3.45Å; F53-Y124 VanDerWaalsContact CD1-CE1 3.45Å; F53-Y124 AromaticContact CD2-CE1 3.7Å; F53-Y124 HydrophobicContact CD2-CE1 3.7Å; F53-Y124 HydrophobicContact CE1-CD1 4.11Å; F53-Y124 AromaticContact CE1-CE1 3.39Å; F53-Y124 HydrophobicContact CE1-CE1 3.39Å; F53-Y124 AromaticContact CE2-CE1 3.65Å; F53-Y124 HydrophobicContact CE2-CE1 3.65Å; F53-Y124 WeakPolarHBondContact CE2-OH 3.33Å; F53-Y124 HydrophobicContact CG-CD1 4.15Å; F53-Y124 AromaticContact CG-CE1 3.6Å; F53-Y124 HydrophobicContact CG-CE1 3.6Å; F53-Y124 AromaticContact CZ-CE1 3.5Å; F53-Y124 HydrophobicContact CZ-CE1 3.5Å; F53-Y124 VanDerWaalsContact CZ-CE1 3.5Å; F53-Y124 AromaticContact CZ-CZ 3.85Å; F53-Y124 VanDerWaalsContact CZ-OH 3.32Å; F53-Y124 WeakPolarHBondContact CZ-OH 3.47Å; P120-Y124 WeakPolarHBondContact O-CB 3.46Å; P120-Y124 PolarHBondContact O-N 3.41Å; L121-Y124 PolarHBondContact O-N 3.34Å; N122-Y124 VanDerWaalsContact C-N 3.3Å; N122-Y124 PolarHBondContact O-N 3.13Å; Y124-Q127 PolarHBondContact O-N 3.4Å; Y124-F128 AromaticContact CD1-CE2 3.88Å; Y124-F128 HydrophobicContact CD1-CE2 3.88Å; Y124-F128 AromaticContact CE1-CE2 3.5Å; Y124-F128 HydrophobicContact CE1-CE2 3.5Å; Y124-F128 AromaticContact CE1-CZ 3.89Å; Y124-F128 HydrophobicContact CE1-CZ 3.89Å; Y124-F128 HydrophobicContact CE2-CE2 4.47Å; Y124-F128 AromaticContact CZ-CE2 3.86Å; Y124-F128 AromaticContact CZ-CZ 3.89Å; Y124-F128 VanDerWaalsContact O-CD2 3.3Å; Y124-F128 WeakPolarHBondContact O-CD2 3.36Å; Y124-F128 WeakPolarHBondContact O-CE2 3.27Å; Y124-L195 HydrophobicContact CD2-CD1 4.48Å; Y124-L195 HydrophobicContact CE2-CD1 3.96Å; Y124-F202 AromaticContact CD1-CD1 3.87Å; Y124-F202 HydrophobicContact CD1-CD1 3.87Å; Y124-F202 AromaticContact CD1-CE1 3.4Å; Y124-F202 HydrophobicContact CD1-CE1 3.4Å; Y124-F202 VanDerWaalsContact CD1-CE1 3.4Å; Y124-F202 AromaticContact CD1-CZ 3.83Å; Y124-F202 HydrophobicContact CD1-CZ 3.83Å; Y124-F202 HydrophobicContact CD2-CB 4.4Å; Y124-F202 AromaticContact CD2-CD1 3.66Å; Y124-F202 HydrophobicContact CD2-CD1 3.66Å; Y124-F202 AromaticContact CD2-CD2 3.87Å; Y124-F202 HydrophobicContact CD2-CD2 3.87Å; Y124-F202 AromaticContact CD2-CE1 3.88Å; Y124-F202 HydrophobicContact CD2-CE1 3.88Å; Y124-F202 HydrophobicContact CD2-CE2 4.07Å; Y124-F202 AromaticContact CD2-CG 3.68Å; Y124-F202 HydrophobicContact CD2-CG 3.68Å; Y124-F202 HydrophobicContact CD2-CZ 4.08Å; Y124-F202 AromaticContact CE1-CD1 3.87Å; Y124-F202 HydrophobicContact CE1-CD1 3.87Å; Y124-F202 AromaticContact CE1-CE1 3.77Å; Y124-F202 HydrophobicContact CE1-CE1 3.77Å; Y124-F202 HydrophobicContact CE2-CB 4.2Å; Y124-F202 AromaticContact CE2-CD1 3.66Å; Y124-F202 HydrophobicContact CE2-CD1 3.66Å; Y124-F202 HydrophobicContact CE2-CD2 4.47Å; Y124-F202 HydrophobicContact CE2-CE1 4.21Å; Y124-F202 AromaticContact CE2-CG 3.83Å; Y124-F202 HydrophobicContact CE2-CG 3.83Å; Y124-F202 AromaticContact CG-CD1 3.74Å; Y124-F202 HydrophobicContact CG-CD1 3.74Å; Y124-F202 HydrophobicContact CG-CD2 4.13Å; Y124-F202 AromaticContact CG-CE1 3.42Å; Y124-F202 HydrophobicContact CG-CE1 3.42Å; Y124-F202 VanDerWaalsContact CG-CE1 3.42Å; Y124-F202 AromaticContact CG-CE2 3.84Å; Y124-F202 HydrophobicContact CG-CE2 3.84Å; Y124-F202 HydrophobicContact CG-CG 4.09Å; Y124-F202 AromaticContact CG-CZ 3.49Å; Y124-F202 HydrophobicContact CG-CZ 3.49Å; Y124-F202 VanDerWaalsContact CG-CZ 3.49Å; Y124-F202 AromaticContact CZ-CD1 3.73Å
125C92.3Very high95.3Very high6 Ų647.4 Ų47.44%0.04125%0.254CS..Hα-helixtrans-64.2-38.9175.9-71.20000112.6L121 N122 Q127 F128L121-C125 WeakPolarHBondContact O-CB 3.46Å; L121-C125 PolarHBondContact O-N 3.49Å; L121-C125 PolarHBondContact O-SG 3.23Å; N122-C125 PolarHBondContact O-N 2.88Å; C125-Q127 VanDerWaalsContact C-N 3.27Å; C125-Q127 PolarHBondContact O-N 2.77Å; C125-F128 WeakPolarHBondContact O-CB 3.23Å; C125-F128 PolarHBondContact O-N 3.46Å; C125-F128 VanDerWaalsContact O-N 3.14Å
126S93.2Very high95.3Very high51 Ų5145.4 Ų45.436%0.35725%0.253SS..Hα-helixtrans-63.2-32.9-178.769.60000112.7N122 I123 F128 V129 D130N122-S126 PolarHBondContact O-N 2.93Å; I123-S126 PolarHBondContact O-OG 3.38Å; S126-F128 PolarHBondContact O-N 2.93Å; S126-F128 VanDerWaalsContact O-N 3.16Å; S126-V129 WeakPolarHBondContact O-CB 3.3Å; S126-V129 PolarHBondContact O-N 3.5Å; S126-D130 PolarHBondContact O-N 3.06Å
127Q93.9Very high95.3Very high47 Ų4745 Ų4522%0.2225%0.249CC..Hα-helixtrans-56.3-33.2175.6-70.9171.364.700112.6I123 Y124 C125 L131I123-Q127 WeakPolarHBondContact O-CG 2.93Å; I123-Q127 PolarHBondContact O-NE2 2.97Å; Y124-Q127 PolarHBondContact O-N 3.4Å; C125-Q127 VanDerWaalsContact C-N 3.27Å; C125-Q127 PolarHBondContact O-N 2.77Å; Q127-L131 VanDerWaalsContact O-CB 3.22Å; Q127-L131 WeakPolarHBondContact O-CB 3.24Å; Q127-L131 WeakPolarHBondContact O-CD1 3.35Å; Q127-L131 VanDerWaalsContact O-CG 3.28Å; Q127-L131 WeakPolarHBondContact O-CG 3.35Å; Q127-L131 PolarHBondContact O-N 3.19Å
128F93.1Very high95.4Very high2 Ų245.3 Ų45.31%0.00925%0.25CS..Hα-helixtrans-69.8-36.3176.1-64.9-87.8000112.5F24 Q27 Q28 F53 Y124 C125 S126 K132 L195F24-F128 HydrophobicContact CD2-CD1 4.28Å; F24-F128 HydrophobicContact CE2-CB 4.45Å; F24-F128 AromaticContact CE2-CD1 3.62Å; F24-F128 HydrophobicContact CE2-CD1 3.62Å; F24-F128 HydrophobicContact CE2-CE1 4.3Å; F24-F128 HydrophobicContact CE2-CG 4.38Å; F24-F128 HydrophobicContact CZ-CB 4.28Å; F24-F128 AromaticContact CZ-CD1 3.96Å; F24-F128 HydrophobicContact CZ-CD1 3.96Å; F24-F128 WeakPolarHBondContact CZ-O 3.46Å; Q27-F128 HydrophobicContact CB-CE1 4.22Å; Q27-F128 VanDerWaalsContact CD-CZ 3.44Å; Q27-F128 HydrophobicContact CG-CE1 3.53Å; Q27-F128 HydrophobicContact CG-CZ 3.52Å; Q28-F128 HydrophobicContact CB-CD1 4.23Å; Q28-F128 HydrophobicContact CG-CD1 4.22Å; F53-F128 HydrophobicContact CD2-CZ 4.42Å; Y124-F128 AromaticContact CD1-CE2 3.88Å; Y124-F128 HydrophobicContact CD1-CE2 3.88Å; Y124-F128 AromaticContact CE1-CE2 3.5Å; Y124-F128 HydrophobicContact CE1-CE2 3.5Å; Y124-F128 AromaticContact CE1-CZ 3.89Å; Y124-F128 HydrophobicContact CE1-CZ 3.89Å; Y124-F128 HydrophobicContact CE2-CE2 4.47Å; Y124-F128 AromaticContact CZ-CE2 3.86Å; Y124-F128 AromaticContact CZ-CZ 3.89Å; Y124-F128 VanDerWaalsContact O-CD2 3.3Å; Y124-F128 WeakPolarHBondContact O-CD2 3.36Å; Y124-F128 WeakPolarHBondContact O-CE2 3.27Å; C125-F128 WeakPolarHBondContact O-CB 3.23Å; C125-F128 PolarHBondContact O-N 3.46Å; C125-F128 VanDerWaalsContact O-N 3.14Å; S126-F128 PolarHBondContact O-N 2.93Å; S126-F128 VanDerWaalsContact O-N 3.16Å; F128-K132 WeakPolarHBondContact O-CB 3.21Å; F128-K132 PolarHBondContact O-N 2.68Å; F128-L195 HydrophobicContact CD1-CD2 4.39Å; F128-L195 HydrophobicContact CE1-CD2 4.08Å; F128-L195 HydrophobicContact CZ-CD2 4.31Å
129V91.3Very high95.3Very high75 Ų7546.2 Ų46.246%0.45526%0.263SS..Hα-helixtrans-65.2-49.9177.1-177.70000109.2S126 K132 A133S126-V129 WeakPolarHBondContact O-CB 3.3Å; S126-V129 PolarHBondContact O-N 3.5Å; V129-K132 PolarHBondContact O-N 2.75Å; V129-A133 PolarHBondContact O-N 2.78Å
130D94.1Very high95.3Very high91 Ų9150.9 Ų50.949%0.48728%0.277SS..Hα-helixtrans-62.4-47.4-179.4-64-24.5000112.1S126 A133 K134S126-D130 PolarHBondContact O-N 3.06Å; D130-A133 PolarHBondContact O-N 3.11Å; D130-K134 WeakPolarHBondContact O-CG 3.36Å; D130-K134 PolarHBondContact O-N 2.88Å
131L95.7Very high95.4Very high7 Ų751.5 Ų51.54%0.03728%0.275CS..Hα-helixtrans-68.7-37.1179.5-75166.9000112.3F24 Q127 A133 K134 I135 L188 E191 L192 L195F24-L131 HydrophobicContact CD2-CB 4.45Å; F24-L131 HydrophobicContact CD2-CD1 4.49Å; F24-L131 HydrophobicContact CE2-CB 3.63Å; F24-L131 HydrophobicContact CE2-CD1 4.07Å; F24-L131 HydrophobicContact CZ-CB 3.95Å; Q127-L131 VanDerWaalsContact O-CB 3.22Å; Q127-L131 WeakPolarHBondContact O-CB 3.24Å; Q127-L131 WeakPolarHBondContact O-CD1 3.35Å; Q127-L131 VanDerWaalsContact O-CG 3.28Å; Q127-L131 WeakPolarHBondContact O-CG 3.35Å; Q127-L131 PolarHBondContact O-N 3.19Å; L131-A133 VanDerWaalsContact C-N 3.3Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-K134 HydrophobicContact CD2-CD 4.36Å; L131-K134 PolarHBondContact O-N 2.92Å; L131-I135 WeakPolarHBondContact O-CB 3.38Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 3.34Å; L131-L188 HydrophobicContact CD2-CD2 3.74Å; L131-E191 HydrophobicContact CD2-CB 3.95Å; L131-E191 VanDerWaalsContact CD2-OE2 3.23Å; L131-E191 WeakPolarHBondContact CD2-OE2 3.39Å; L131-L192 HydrophobicContact CB-CD2 4.36Å; L131-L192 HydrophobicContact CD1-CD2 4.22Å; L131-L192 HydrophobicContact CD2-CD2 4.03Å; L131-L192 HydrophobicContact CG-CD2 4.46Å; L131-L195 HydrophobicContact CD1-CB 4.4Å; L131-L195 HydrophobicContact CD1-CD2 3.33Å; L131-L195 HydrophobicContact CD1-CG 4.43Å
132K94.2Very high95.4Very high77 Ų7752.8 Ų52.834%0.33528%0.281SS..Hα-helixtrans-58.9-45172.9-177.3-172.7173-154.40110.1F24 F128 V129 I135 A136 D352F24-K132 HydrophobicContact CE1-CB 4.36Å; F24-K132 HydrophobicContact CZ-CB 4.29Å; F128-K132 WeakPolarHBondContact O-CB 3.21Å; F128-K132 PolarHBondContact O-N 2.68Å; V129-K132 PolarHBondContact O-N 2.75Å; K132-I135 PolarHBondContact O-N 2.81Å; K132-A136 WeakPolarHBondContact O-CB 3.01Å; K132-A136 PolarHBondContact O-N 2.75Å; K132-D352 IonicContact NZ-OD1 2.84Å; K132-D352 PolarHBondContact NZ-OD1 3.33Å
133A95.8Very high95.4Very high60 Ų6055 Ų5550%0.49630%0.297SS..Hα-helixtrans-63.3-43.7176.200000112.3V129 D130 L131 A136 K137V129-A133 PolarHBondContact O-N 2.78Å; D130-A133 PolarHBondContact O-N 3.11Å; L131-A133 VanDerWaalsContact C-N 3.3Å; L131-A133 PolarHBondContact O-N 2.79Å; A133-A136 PolarHBondContact O-N 2.79Å; A133-K137 WeakPolarHBondContact O-CB 3.42Å; A133-K137 PolarHBondContact O-N 2.87Å
134K97.6Very high95.4Very high72 Ų7254 Ų5431%0.31329%0.293SS..Hα-helixtrans-62.3-43.8175.2-73.4179.9-176.1177.60112.3D130 L131 K137 R138 L188 E191D130-K134 WeakPolarHBondContact O-CG 3.36Å; D130-K134 PolarHBondContact O-N 2.88Å; L131-K134 HydrophobicContact CD2-CD 4.36Å; L131-K134 PolarHBondContact O-N 2.92Å; K134-K137 PolarHBondContact O-N 2.99Å; K134-R138 WeakPolarHBondContact O-CB 3.15Å; K134-R138 PolarHBondContact O-N 2.94Å; K134-L188 HydrophobicContact CB-CD1 4.27Å; K134-L188 HydrophobicContact CB-CD2 3.82Å; K134-L188 HydrophobicContact CB-CG 4.29Å; K134-L188 HydrophobicContact CD-CD2 4.45Å; K134-E191 IonicContact NZ-OE1 2.73Å; K134-E191 PolarHBondContact NZ-OE1 2.78Å; K134-E191 IonicContact NZ-OE2 3.28Å; K134-E191 PolarHBondContact NZ-OE2 3.16Å
135I96.5Very high95.5Very high33 Ų3354.5 Ų54.517%0.16929%0.294CS..Hα-helixtrans-59.7-48.3176.3-70.5164.8000110.2F17 F24 L131 K132 K137 R138 G139 L188 L192F17-I135 HydrophobicContact CZ-CG1 4.23Å; F17-I135 HydrophobicContact CZ-CG2 4.24Å; F24-I135 HydrophobicContact CD1-CD1 3.67Å; F24-I135 HydrophobicContact CE1-CD1 3.85Å; F24-I135 HydrophobicContact CG-CD1 4.09Å; F24-I135 HydrophobicContact CZ-CD1 4.4Å; L131-I135 WeakPolarHBondContact O-CB 3.38Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 3.34Å; K132-I135 PolarHBondContact O-N 2.81Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 3.2Å; I135-R138 WeakPolarHBondContact O-CB 3.33Å; I135-R138 PolarHBondContact O-N 2.87Å; I135-G139 PolarHBondContact O-N 3.48Å; I135-L188 HydrophobicContact CG1-CD1 4.28Å; I135-L188 HydrophobicContact CG1-CD2 3.96Å; I135-L192 HydrophobicContact CD1-CD1 4.25Å; I135-L192 HydrophobicContact CD1-CD2 3.95Å; I135-L192 HydrophobicContact CG1-CD1 4.34Å
136A96.7Very high95.6Very high47 Ų4755.1 Ų55.139%0.38830%0.297SS..Hα-helixtrans-61.2-42.6177.300000111.6K132 A133 G139 R140K132-A136 WeakPolarHBondContact O-CB 3.01Å; K132-A136 PolarHBondContact O-N 2.75Å; A133-A136 PolarHBondContact O-N 2.79Å; A136-G139 PolarHBondContact O-N 3.48Å; A136-R140 PolarHBondContact O-N 2.84Å
137K98.1Very high95.8Very high104 Ų10454.6 Ų54.645%0.45230%0.3SS..Hα-helixtrans-62.8-43175.9-167.7176.4-177.1171.70111.6A133 K134 I135 G139 R140 K141 L184A133-K137 WeakPolarHBondContact O-CB 3.42Å; A133-K137 PolarHBondContact O-N 2.87Å; K134-K137 PolarHBondContact O-N 2.99Å; I135-K137 VanDerWaalsContact C-N 3.33Å; I135-K137 PolarHBondContact O-N 3.2Å; K137-G139 PolarHBondContact O-N 3.29Å; K137-R140 PolarHBondContact O-N 3.16Å; K137-K141 WeakPolarHBondContact O-CG 3.13Å; K137-K141 PolarHBondContact O-N 3.32Å; K137-L184 HydrophobicContact CB-CD1 4.4Å; K137-L184 HydrophobicContact CD-CD1 4.26Å; K137-L184 HydrophobicContact CD-CD2 4.32Å; K137-L184 HydrophobicContact CG-CD1 3.88Å
138R97.5Very high95.9Very high6 Ų653.1 Ų53.12%0.02330%0.296CS..Hα-helixtrans-58.3-47.1173.7-179.2-165.5170.7-92.95.9110.8D14 K134 I135 R140 K141 L142 Y181 L184 N185 L188D14-R138 IonicContact OD2-NH2 3.6Å; K134-R138 WeakPolarHBondContact O-CB 3.15Å; K134-R138 PolarHBondContact O-N 2.94Å; I135-R138 WeakPolarHBondContact O-CB 3.33Å; I135-R138 PolarHBondContact O-N 2.87Å; R138-R140 PolarHBondContact O-N 3.48Å; R138-K141 CarbonylContact O-C 3.53Å; R138-K141 PolarHBondContact O-N 3.34Å; R138-K141 VanDerWaalsContact O-N 3.12Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 PolarHBondContact O-N 2.94Å; R138-Y181 HydrophobicContact CG-CD2 4.2Å; R138-Y181 HydrophobicContact CG-CE2 4Å; R138-Y181 PolarHBondContact NH2-OH 3.5Å; R138-L184 HydrophobicContact CB-CB 4.23Å; R138-L184 HydrophobicContact CG-CB 4.48Å; R138-N185 PolarHBondContact NE-OD1 3.06Å; R138-N185 PolarHBondContact NH2-OD1 3.33Å; R138-L188 HydrophobicContact CB-CD1 3.72Å; R138-L188 HydrophobicContact CG-CD1 4.23Å
139G95.9Very high96Very high33 Ų3354.5 Ų54.534%0.3430%0.301SS..Hα-helixtrans-56.1-46.7177.300000112.5I135 A136 K137 K141 L142 V143I135-G139 PolarHBondContact O-N 3.48Å; A136-G139 PolarHBondContact O-N 3.48Å; K137-G139 PolarHBondContact O-N 3.29Å; G139-K141 PolarHBondContact O-N 2.85Å; G139-L142 PolarHBondContact O-N 3.36Å; G139-V143 PolarHBondContact O-N 2.99Å
140R97.7Very high96.1Very high150 Ų15053.5 Ų53.557%0.56629%0.291SS*.Hα-helixtrans-61.3-43.7174-66.1-169.1-63.9-88.58.8112.3A136 K137 R138 L142 V143 D144A136-R140 PolarHBondContact O-N 2.84Å; K137-R140 PolarHBondContact O-N 3.16Å; R138-R140 PolarHBondContact O-N 3.48Å; R140-L142 VanDerWaalsContact C-N 3.34Å; R140-L142 PolarHBondContact O-N 3.18Å; R140-V143 WeakPolarHBondContact O-CB 3.33Å; R140-V143 PolarHBondContact O-N 3.32Å; R140-D144 PolarHBondContact O-N 3.45Å; R140-D144 VanDerWaalsContact O-N 3.13Å
141K97.8Very high96.1Very high60 Ų6051.6 Ų51.626%0.26129%0.288SS..Hα-helixtrans-72-24.6-179.9-63.4-49.2170.4-165.70114.4K137 R138 G139 D144 Y145 L184K137-K141 WeakPolarHBondContact O-CG 3.13Å; K137-K141 PolarHBondContact O-N 3.32Å; R138-K141 CarbonylContact O-C 3.53Å; R138-K141 PolarHBondContact O-N 3.34Å; R138-K141 VanDerWaalsContact O-N 3.12Å; G139-K141 PolarHBondContact O-N 2.85Å; K141-D144 WeakPolarHBondContact CD-OD2 3.41Å; K141-D144 IonicContact NZ-OD2 2.63Å; K141-D144 PolarHBondContact NZ-OD2 3.31Å; K141-D144 PolarHBondContact O-N 3.29Å; K141-Y145 WeakPolarHBondContact O-CB 3.49Å; K141-Y145 PolarHBondContact O-N 3.21Å; K141-L184 HydrophobicContact CB-CD1 4.23Å; K141-L184 HydrophobicContact CG-CD1 3.85Å
142L95.7Very high96Very high26 Ų2653 Ų5314%0.13629%0.293CS..Hα-helixtrans-66.2-41.2170-176.756.6000111.3T12 R138 G139 R140 Y145 D146 Y181T12-L142 HydrophobicContact CG2-CD1 4.06Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 PolarHBondContact O-N 2.94Å; G139-L142 PolarHBondContact O-N 3.36Å; R140-L142 VanDerWaalsContact C-N 3.34Å; R140-L142 PolarHBondContact O-N 3.18Å; L142-Y145 HydrophobicContact CD1-CD1 4.45Å; L142-Y145 PolarHBondContact O-N 2.79Å; L142-D146 PolarHBondContact O-N 3.48Å; L142-Y181 HydrophobicContact CB-CD2 3.88Å; L142-Y181 HydrophobicContact CB-CE2 3.82Å; L142-Y181 HydrophobicContact CD1-CD2 3.98Å; L142-Y181 HydrophobicContact CD1-CE1 4.17Å; L142-Y181 HydrophobicContact CD1-CE2 3.49Å; L142-Y181 VanDerWaalsContact CD1-CE2 3.49Å; L142-Y181 HydrophobicContact CD1-CG 4.5Å; L142-Y181 HydrophobicContact CD2-CE2 4.38Å; L142-Y181 HydrophobicContact CG-CE2 4.09Å
143V95.6Very high96Very high102 Ų10252.7 Ų52.762%0.61829%0.293SS*.Hα-helixtrans-63.6-44.7174.2177.60000111.2G139 R140 Y145 D146 G147G139-V143 PolarHBondContact O-N 2.99Å; R140-V143 WeakPolarHBondContact O-CB 3.33Å; R140-V143 PolarHBondContact O-N 3.32Å; V143-Y145 VanDerWaalsContact C-N 3.3Å; V143-Y145 PolarHBondContact O-N 2.86Å; V143-D146 PolarHBondContact O-N 3.48Å; V143-G147 PolarHBondContact O-N 3.03Å
144D95.6Very high95.7Very high77 Ų7752.8 Ų52.841%0.41229%0.291SS..Hα-helixtrans-58.1-43.2175-68.3-17.5000111.3R140 K141 G147 A148R140-D144 PolarHBondContact O-N 3.45Å; R140-D144 VanDerWaalsContact O-N 3.13Å; K141-D144 WeakPolarHBondContact CD-OD2 3.41Å; K141-D144 IonicContact NZ-OD2 2.63Å; K141-D144 PolarHBondContact NZ-OD2 3.31Å; K141-D144 PolarHBondContact O-N 3.29Å; D144-G147 PolarHBondContact O-N 3.24Å; D144-A148 WeakPolarHBondContact O-CB 3.22Å; D144-A148 PolarHBondContact O-N 3.38Å
145Y96.6Very high95.4Very high18 Ų1852.5 Ų52.57%0.07129%0.292CS..Hα-helixtrans-66-49.7179.7173.9-118000112.8K141 L142 V143 G147 A148 R149 L174 A177 R178 Y181K141-Y145 WeakPolarHBondContact O-CB 3.49Å; K141-Y145 PolarHBondContact O-N 3.21Å; L142-Y145 HydrophobicContact CD1-CD1 4.45Å; L142-Y145 PolarHBondContact O-N 2.79Å; V143-Y145 VanDerWaalsContact C-N 3.3Å; V143-Y145 PolarHBondContact O-N 2.86Å; Y145-G147 VanDerWaalsContact C-N 3.28Å; Y145-G147 PolarHBondContact O-N 2.87Å; Y145-A148 PolarHBondContact O-N 2.9Å; Y145-R149 WeakPolarHBondContact O-CB 3.5Å; Y145-R149 PolarHBondContact O-N 2.99Å; Y145-L174 HydrophobicContact CD2-CD1 3.98Å; Y145-L174 HydrophobicContact CE2-CD1 3.67Å; Y145-A177 HydrophobicContact CD2-CB 4.44Å; Y145-R178 HydrophobicContact CD2-CB 4.01Å; Y145-R178 HydrophobicContact CE2-CB 3.73Å; Y145-R178 HydrophobicContact CE2-CG 4.11Å; Y145-R178 PolarHBondContact OH-NH2 2.95Å; Y145-Y181 HydrophobicContact CD1-CD1 4.18Å
146D95.7Very high95Very high19 Ų1956.6 Ų56.610%0.10231%0.308CS..Hα-helixtrans-61.4-39.8176.7-75.8-12.4000110.5T12 L142 V143 R149 H150T12-D146 PolarHBondContact N-OD2 2.9Å; T12-D146 PolarHBondContact OG1-OD1 3.09Å; L142-D146 PolarHBondContact O-N 3.48Å; V143-D146 PolarHBondContact O-N 3.48Å; D146-R149 PolarHBondContact O-N 3.11Å; D146-R149 IonicContact OD1-CZ 3.44Å; D146-R149 VanDerWaalsContact OD1-CZ 3.28Å; D146-R149 IonicContact OD1-NH1 3.75Å; D146-R149 PolarHBondContact OD1-NH1 3.22Å; D146-R149 IonicContact OD1-NH2 2.76Å; D146-R149 PolarHBondContact OD1-NH2 2.75Å; D146-H150 PolarHBondContact O-CD2 2.68Å; D146-H150 PolarHBondContact O-N 3.03Å
147G96Very high94.6Very high40 Ų4060.6 Ų60.641%0.41232%0.324SS..Hα-helixtrans-60.8-48.4174.300000113.4V143 D144 Y145 R149 H150 A151V143-G147 PolarHBondContact O-N 3.03Å; D144-G147 PolarHBondContact O-N 3.24Å; Y145-G147 VanDerWaalsContact C-N 3.28Å; Y145-G147 PolarHBondContact O-N 2.87Å; G147-R149 VanDerWaalsContact C-N 3.33Å; G147-R149 PolarHBondContact O-N 3.41Å; G147-H150 PolarHBondContact O-N 3.3Å; G147-A151 PolarHBondContact O-N 3.4Å
148A96.5Very high94Very high17 Ų1761.9 Ų61.914%0.1434%0.335CS..Hα-helixtrans-64.4-37.5176.800000111.9D144 Y145 A151 Y152 L174 A177D144-A148 WeakPolarHBondContact O-CB 3.22Å; D144-A148 PolarHBondContact O-N 3.38Å; Y145-A148 PolarHBondContact O-N 2.9Å; A148-A151 PolarHBondContact O-N 2.87Å; A148-Y152 WeakPolarHBondContact O-CB 3.3Å; A148-Y152 PolarHBondContact O-N 2.94Å; A148-L174 HydrophobicContact CB-CB 4.35Å; A148-L174 HydrophobicContact CB-CD1 4.22Å; A148-A177 HydrophobicContact CB-CB 4.1Å
149R95.7Very high92.7Very high30 Ų3063.9 Ų63.911%0.11335%0.35CS..Hα-helixtrans-61.3-47.4175.5-179.9172.370-146-4.1110.8D10 T12 Y145 D146 G147 Y152 Q153 L174D10-R149 PolarHBondContact O-NH2 2.82Å; T12-R149 PolarHBondContact OG1-NH1 2.64Å; T12-R149 PolarHBondContact OG1-NH2 3.26Å; Y145-R149 WeakPolarHBondContact O-CB 3.5Å; Y145-R149 PolarHBondContact O-N 2.99Å; D146-R149 PolarHBondContact O-N 3.11Å; D146-R149 IonicContact OD1-CZ 3.44Å; D146-R149 VanDerWaalsContact OD1-CZ 3.28Å; D146-R149 IonicContact OD1-NH1 3.75Å; D146-R149 PolarHBondContact OD1-NH1 3.22Å; D146-R149 IonicContact OD1-NH2 2.76Å; D146-R149 PolarHBondContact OD1-NH2 2.75Å; G147-R149 VanDerWaalsContact C-N 3.33Å; G147-R149 PolarHBondContact O-N 3.41Å; R149-Y152 PolarHBondContact O-N 3.22Å; R149-Q153 HydrophobicContact CG-CG 4.49Å; R149-Q153 WeakPolarHBondContact O-CB 3.21Å; R149-Q153 VanDerWaalsContact O-CG 3.25Å; R149-Q153 WeakPolarHBondContact O-CG 3.32Å; R149-Q153 PolarHBondContact O-N 3.3Å; R149-L174 HydrophobicContact CB-CD1 3.97Å
150H94Very high91.5Very high54 Ų5472.6 Ų72.625%0.2538%0.379CS..Hα-helixtrans-63.3-42.2176.4-72.9-45.8000113A9 D10 D146 G147 Q153 S154A9-H150 WeakPolarHBondContact CA-NE2 3.1Å; A9-H150 WeakPolarHBondContact CB-NE2 3.42Å; D10-H150 PolarHBondContact N-CE1 2.78Å; D10-H150 VanDerWaalsContact N-CE1 3.29Å; D10-H150 PolarHBondContact O-NE2 3.08Å; D146-H150 PolarHBondContact O-CD2 2.68Å; D146-H150 PolarHBondContact O-N 3.03Å; G147-H150 PolarHBondContact O-N 3.3Å; H150-Q153 PolarHBondContact O-N 2.93Å; H150-S154 VanDerWaalsContact O-CB 3.28Å; H150-S154 WeakPolarHBondContact O-CB 3.32Å; H150-S154 PolarHBondContact O-N 3.39Å
151A93.7Very high90.2Very high51 Ų5174.2 Ų74.242%0.42139%0.39SS..Hα-helixtrans-60.4-47.8177.500000111.8G147 A148 S154 L155G147-A151 PolarHBondContact O-N 3.4Å; A148-A151 PolarHBondContact O-N 2.87Å; A151-S154 PolarHBondContact O-N 3.03Å; A151-L155 WeakPolarHBondContact O-CG 3.36Å; A151-L155 PolarHBondContact O-N 2.93Å; A151-L155 VanDerWaalsContact O-N 3.11Å
152Y94Very high88.5Confident36 Ų3674.2 Ų74.214%0.14140%0.396CS..Hα-helixtrans-62-47.7176.5174.2-97.8000112.1A148 R149 S154 L155 K156 L167 A170 E171 L174A148-Y152 WeakPolarHBondContact O-CB 3.3Å; A148-Y152 PolarHBondContact O-N 2.94Å; R149-Y152 PolarHBondContact O-N 3.22Å; Y152-S154 VanDerWaalsContact C-N 3.35Å; Y152-S154 PolarHBondContact O-N 3.05Å; Y152-L155 PolarHBondContact O-N 2.83Å; Y152-K156 HydrophobicContact CE1-CD 3.84Å; Y152-K156 VanDerWaalsContact O-CB 3.31Å; Y152-K156 WeakPolarHBondContact O-CB 3.38Å; Y152-K156 PolarHBondContact O-N 3.06Å; Y152-K156 PolarHBondContact OH-NZ 2.91Å; Y152-L167 HydrophobicContact CD2-CD1 4.07Å; Y152-L167 HydrophobicContact CE2-CD1 3.87Å; Y152-L167 HydrophobicContact CE2-CG 4.41Å; Y152-A170 HydrophobicContact CD2-CB 4.38Å; Y152-E171 HydrophobicContact CD2-CB 4.06Å; Y152-E171 HydrophobicContact CE2-CB 3.82Å; Y152-E171 HydrophobicContact CE2-CG 4.15Å; Y152-L174 HydrophobicContact CD1-CD2 3.93Å; Y152-L174 HydrophobicContact CG-CD2 3.96Å
153Q92.4Very high87.2Confident71 Ų7179.5 Ų79.533%0.33242%0.42SS..Hα-helixtrans-61.8-41179.1-74.2173.7-7.100112.3R149 H150 K156 N157R149-Q153 HydrophobicContact CG-CG 4.49Å; R149-Q153 WeakPolarHBondContact O-CB 3.21Å; R149-Q153 VanDerWaalsContact O-CG 3.25Å; R149-Q153 WeakPolarHBondContact O-CG 3.32Å; R149-Q153 PolarHBondContact O-N 3.3Å; H150-Q153 PolarHBondContact O-N 2.93Å; Q153-K156 PolarHBondContact O-N 3Å; Q153-N157 WeakPolarHBondContact O-CB 3.42Å; Q153-N157 VanDerWaalsContact O-CG 3.23Å; Q153-N157 PolarHBondContact O-N 2.74Å; Q153-N157 PolarHBondContact O-ND2 2.8Å
154S91.2Very high86.6Confident63 Ų6380.4 Ų80.444%0.44142%0.422SS..Hα-helixtrans-63-46.3177.6-176.40000112H150 A151 Y152 K156 N157 N158H150-S154 VanDerWaalsContact O-CB 3.28Å; H150-S154 WeakPolarHBondContact O-CB 3.32Å; H150-S154 PolarHBondContact O-N 3.39Å; A151-S154 PolarHBondContact O-N 3.03Å; Y152-S154 VanDerWaalsContact C-N 3.35Å; Y152-S154 PolarHBondContact O-N 3.05Å; S154-K156 PolarHBondContact O-N 3.36Å; S154-N157 PolarHBondContact O-N 3.26Å; S154-N158 WeakPolarHBondContact O-CB 3.49Å; S154-N158 PolarHBondContact O-N 2.98Å; S154-N158 PolarHBondContact O-ND2 2.92Å; S154-N158 PolarHBondContact OG-ND2 3.37Å
155L90.6Very high86.3Confident65 Ų6580.3 Ų80.334%0.3443%0.431SS..Hα-helixtrans-63.5-41176.3-74.2170.8000112.1A151 Y152 S159 L167 A170A151-L155 WeakPolarHBondContact O-CG 3.36Å; A151-L155 PolarHBondContact O-N 2.93Å; A151-L155 VanDerWaalsContact O-N 3.11Å; Y152-L155 PolarHBondContact O-N 2.83Å; L155-S159 WeakPolarHBondContact O-CB 3.47Å; L155-S159 PolarHBondContact O-N 3.31Å; L155-S159 PolarHBondContact O-OG 2.91Å; L155-L167 HydrophobicContact CB-CD1 4.19Å; L155-A170 HydrophobicContact CD1-CB 3.66Å
156K89.1Confident86Confident119 Ų11985.9 Ų85.952%0.51746%0.456SS..Hα-helixtrans-64.9-42.6178.4-172.1171.5-174.4166.40112.5Y152 Q153 S154 L167Y152-K156 HydrophobicContact CE1-CD 3.84Å; Y152-K156 VanDerWaalsContact O-CB 3.31Å; Y152-K156 WeakPolarHBondContact O-CB 3.38Å; Y152-K156 PolarHBondContact O-N 3.06Å; Y152-K156 PolarHBondContact OH-NZ 2.91Å; Q153-K156 PolarHBondContact O-N 3Å; S154-K156 PolarHBondContact O-N 3.36Å; K156-L167 HydrophobicContact CB-CD1 4.32Å
157N88Confident85.8Confident132 Ų13286.6 Ų86.671%0.70646%0.46SS*.Hα-helixtrans-77.7-31.4-177.3-69.3-12000113.3Q153 S154Q153-N157 WeakPolarHBondContact O-CB 3.42Å; Q153-N157 VanDerWaalsContact O-CG 3.23Å; Q153-N157 PolarHBondContact O-N 2.74Å; Q153-N157 PolarHBondContact O-ND2 2.8Å; S154-N157 PolarHBondContact O-N 3.26Å
158N83.9Confident85.6Confident130 Ų13089.1 Ų89.170%0.69546%0.463SS*.Hα-helixtrans-88.1-5.7-177.1-70.7-29.5000114.4S154S154-N158 WeakPolarHBondContact O-CB 3.49Å; S154-N158 PolarHBondContact O-N 2.98Å; S154-N158 PolarHBondContact O-ND2 2.92Å; S154-N158 PolarHBondContact OG-ND2 3.37Å
159S71.5Confident85.6Confident49 Ų4993.4 Ų93.434%0.34348%0.479SS..  trans-93.2113.7-173.7-67.40000113.3L155L155-S159 WeakPolarHBondContact O-CB 3.47Å; L155-S159 PolarHBondContact O-N 3.31Å; L155-S159 PolarHBondContact O-OG 2.91Å
160K70.5Confident85.5Confident216 Ų21692.6 Ų92.694%0.93948%0.478SS*.SBendtrans-79.8-24165.4-68.8-176.4179.2177.50113.3
161K70.1Confident85.6Confident184 Ų18494.5 Ų94.580%0.849%0.487SS*.SBendtrans-139.3108166.1-74.5-173.6176.8-1770105.4E163K161-E163 PolarHBondContact O-N 3.22Å; K161-E163 VanDerWaalsContact O-N 3.14Å
162P62.4Low85.8Confident60 Ų6097.3 Ų97.339%0.3949%0.492SS..  trans-60.2120.8175.723.9-29.6000107.6D164 L167P162-D164 PolarHBondContact O-N 3.34Å; P162-L167 HydrophobicContact CB-CD2 3.9Å
163E68.6Low85.9Confident137 Ų13798.9 Ų98.964%0.6450%0.503SS*.  trans-65.691.2158.6-74.1-105.1155.400105.4K161 A165 K166 L167K161-E163 PolarHBondContact O-N 3.22Å; K161-E163 VanDerWaalsContact O-N 3.14Å; E163-A165 PolarHBondContact O-N 3.02Å; E163-K166 HydrophobicContact CB-CD 4.44Å; E163-K166 PolarHBondContact O-N 3.3Å; E163-L167 PolarHBondContact O-N 3.36Å
164D83.2Confident86.1Confident121 Ų12196.3 Ų96.365%0.64749%0.491SS*.Hα-helixtrans-49.5-34.7-166.5-72.4-27.8000112.5P162 L168P162-D164 PolarHBondContact O-N 3.34Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 3.39Å
165A89.5Confident86.5Confident75 Ų7598.5 Ų98.562%0.6249%0.494SS*.Hα-helixtrans-64-42.2177.500000113.9E163 K169E163-A165 PolarHBondContact O-N 3.02Å; A165-K169 WeakPolarHBondContact O-CB 3.49Å; A165-K169 PolarHBondContact O-N 3.09Å
166K90.2Very high86.8Confident135 Ų13597.4 Ų97.459%0.58749%0.492SS*.Hα-helixtrans-71.3-39.8179.5-71.5-178.1-178.8172.50111.2E163 K169 A170E163-K166 HydrophobicContact CB-CD 4.44Å; E163-K166 PolarHBondContact O-N 3.3Å; K166-K169 PolarHBondContact O-N 3.49Å; K166-A170 PolarHBondContact O-N 3.36Å
167L91.1Very high87.2Confident34 Ų3492.4 Ų92.418%0.17847%0.473CS..Hα-helixtrans-67.1-44.1177.6-172.164.3000111Y152 L155 K156 P162 E163 K169 A170 E171Y152-L167 HydrophobicContact CD2-CD1 4.07Å; Y152-L167 HydrophobicContact CE2-CD1 3.87Å; Y152-L167 HydrophobicContact CE2-CG 4.41Å; L155-L167 HydrophobicContact CB-CD1 4.19Å; K156-L167 HydrophobicContact CB-CD1 4.32Å; P162-L167 HydrophobicContact CB-CD2 3.9Å; E163-L167 PolarHBondContact O-N 3.36Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 2.85Å; L167-A170 PolarHBondContact O-N 3.28Å; L167-E171 WeakPolarHBondContact O-CB 3.37Å; L167-E171 PolarHBondContact O-N 2.91Å
168L92.5Very high87.7Confident93 Ų9391.7 Ų91.749%0.48746%0.46SS..Hα-helixtrans-60.2-42.3175.5-177.167.4000111.7D164 E171 Q172D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 3.39Å; L168-E171 PolarHBondContact O-N 2.86Å; L168-Q172 WeakPolarHBondContact O-CG 3.45Å; L168-Q172 PolarHBondContact O-N 3.48Å
169K94.9Very high88.3Confident107 Ų10792.1 Ų92.147%0.46546%0.458SS..Hα-helixtrans-63.4-45.9176.7179.953.7178.3157.70112A165 K166 L167 E171 Q172 D173A165-K169 WeakPolarHBondContact O-CB 3.49Å; A165-K169 PolarHBondContact O-N 3.09Å; K166-K169 PolarHBondContact O-N 3.49Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 2.85Å; K169-E171 VanDerWaalsContact C-N 3.28Å; K169-E171 PolarHBondContact O-N 3.28Å; K169-Q172 PolarHBondContact O-N 3.26Å; K169-D173 WeakPolarHBondContact CE-OD1 3.13Å; K169-D173 VanDerWaalsContact CE-OD2 3.26Å; K169-D173 WeakPolarHBondContact CE-OD2 3.41Å; K169-D173 IonicContact NZ-OD1 2.69Å; K169-D173 PolarHBondContact NZ-OD1 3.16Å; K169-D173 IonicContact NZ-OD2 3.56Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 3.44Å
170A95Very high89.6Confident13 Ų1395.2 Ų95.211%0.10747%0.465CS..Hα-helixtrans-63.5-34.3177.100000112.6Y152 L155 K166 L167 L174Y152-A170 HydrophobicContact CD2-CB 4.38Å; L155-A170 HydrophobicContact CD1-CB 3.66Å; K166-A170 PolarHBondContact O-N 3.36Å; L167-A170 PolarHBondContact O-N 3.28Å; A170-L174 VanDerWaalsContact O-CB 3.29Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 PolarHBondContact O-N 3.43Å
171E95.2Very high90.9Very high94 Ų9485.5 Ų85.544%0.43942%0.423SS..Hα-helixtrans-66.9-44.1174.2-172.5164.8-144.200112.1Y152 L167 L168 K169 D173 L174 E175Y152-E171 HydrophobicContact CD2-CB 4.06Å; Y152-E171 HydrophobicContact CE2-CB 3.82Å; Y152-E171 HydrophobicContact CE2-CG 4.15Å; L167-E171 WeakPolarHBondContact O-CB 3.37Å; L167-E171 PolarHBondContact O-N 2.91Å; L168-E171 PolarHBondContact O-N 2.86Å; K169-E171 VanDerWaalsContact C-N 3.28Å; K169-E171 PolarHBondContact O-N 3.28Å; E171-D173 PolarHBondContact O-N 3.03Å; E171-L174 PolarHBondContact O-N 2.65Å; E171-E175 PolarHBondContact O-N 3.31Å
172Q97.1Very high92.1Very high109 Ų10978 Ų7851%0.50940%0.398SS..Hα-helixtrans-61.6-42.7174.2-72.4174.1-9.100112.2L168 K169 E175 S176L168-Q172 WeakPolarHBondContact O-CG 3.45Å; L168-Q172 PolarHBondContact O-N 3.48Å; K169-Q172 PolarHBondContact O-N 3.26Å; Q172-E175 PolarHBondContact O-N 3.49Å; Q172-S176 WeakPolarHBondContact O-CB 3.19Å; Q172-S176 PolarHBondContact O-N 2.94Å
173D97.4Very high93.8Very high70 Ų7079.1 Ų79.137%0.37441%0.407SS..Hα-helixtrans-67.2-39.5178.7-68.3-21.2000111.3K169 E171 S176 A177K169-D173 WeakPolarHBondContact CE-OD1 3.13Å; K169-D173 VanDerWaalsContact CE-OD2 3.26Å; K169-D173 WeakPolarHBondContact CE-OD2 3.41Å; K169-D173 IonicContact NZ-OD1 2.69Å; K169-D173 PolarHBondContact NZ-OD1 3.16Å; K169-D173 IonicContact NZ-OD2 3.56Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 3.44Å; E171-D173 PolarHBondContact O-N 3.03Å; D173-S176 PolarHBondContact O-N 3.1Å; D173-A177 WeakPolarHBondContact O-CB 3.43Å; D173-A177 PolarHBondContact O-N 3.18Å
174L97.2Very high95.1Very high17 Ų1774 Ų749%0.08938%0.384CS..Hα-helixtrans-60.8-46.5172.6174.358.5000111.9Y145 A148 R149 Y152 A170 E171 A177 R178Y145-L174 HydrophobicContact CD2-CD1 3.98Å; Y145-L174 HydrophobicContact CE2-CD1 3.67Å; A148-L174 HydrophobicContact CB-CB 4.35Å; A148-L174 HydrophobicContact CB-CD1 4.22Å; R149-L174 HydrophobicContact CB-CD1 3.97Å; Y152-L174 HydrophobicContact CD1-CD2 3.93Å; Y152-L174 HydrophobicContact CG-CD2 3.96Å; A170-L174 VanDerWaalsContact O-CB 3.29Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 PolarHBondContact O-N 3.43Å; E171-L174 PolarHBondContact O-N 2.65Å; L174-A177 PolarHBondContact O-N 3.09Å; L174-R178 VanDerWaalsContact O-CB 3.32Å; L174-R178 WeakPolarHBondContact O-CB 3.38Å; L174-R178 PolarHBondContact O-N 2.8Å
175E97.7Very high95.8Very high109 Ų10969.3 Ų69.351%0.50936%0.358SS..Hα-helixtrans-66.2-40.2179.5-16955.9-151.400111.5E171 Q172 A177 R178 Q179E171-E175 PolarHBondContact O-N 3.31Å; Q172-E175 PolarHBondContact O-N 3.49Å; E175-A177 PolarHBondContact O-N 2.79Å; E175-R178 WeakPolarHBondContact O-CB 3.41Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE2-NE 3.83Å; E175-Q179 WeakPolarHBondContact O-CB 2.93Å; E175-Q179 PolarHBondContact O-N 2.81Å
176S98.1Very high96.1Very high42 Ų4268.8 Ų68.829%0.29435%0.35SS..Hα-helixtrans-61.3-43.9173.7-171.90000112.4Q172 D173 Q179 K180Q172-S176 WeakPolarHBondContact O-CB 3.19Å; Q172-S176 PolarHBondContact O-N 2.94Å; D173-S176 PolarHBondContact O-N 3.1Å; S176-Q179 PolarHBondContact O-N 2.83Å; S176-K180 WeakPolarHBondContact O-CG 3.11Å; S176-K180 PolarHBondContact O-N 3.19Å; S176-K180 VanDerWaalsContact O-N 3.15Å; S176-K180 PolarHBondContact OG-NZ 3.14Å
177A97.9Very high96.4Very high13 Ų1363.9 Ų63.911%0.10734%0.335CS..Hα-helixtrans-66.6-41.6177.800000111.5Y145 A148 D173 L174 E175 Q179 K180 Y181Y145-A177 HydrophobicContact CD2-CB 4.44Å; A148-A177 HydrophobicContact CB-CB 4.1Å; D173-A177 WeakPolarHBondContact O-CB 3.43Å; D173-A177 PolarHBondContact O-N 3.18Å; L174-A177 PolarHBondContact O-N 3.09Å; E175-A177 PolarHBondContact O-N 2.79Å; A177-Q179 PolarHBondContact O-N 3.47Å; A177-K180 PolarHBondContact O-N 2.56Å; A177-Y181 WeakPolarHBondContact O-CB 3.44Å; A177-Y181 PolarHBondContact O-N 3.38Å
178R97.3Very high96.8Very high117 Ų11762.3 Ų62.344%0.44233%0.327SS..Hα-helixtrans-57.4-47.7174.7-178.3-171.8-72.9-97-0.7111.2Y145 L174 E175 G182Y145-R178 HydrophobicContact CD2-CB 4.01Å; Y145-R178 HydrophobicContact CE2-CB 3.73Å; Y145-R178 HydrophobicContact CE2-CG 4.11Å; Y145-R178 PolarHBondContact OH-NH2 2.95Å; L174-R178 VanDerWaalsContact O-CB 3.32Å; L174-R178 WeakPolarHBondContact O-CB 3.38Å; L174-R178 PolarHBondContact O-N 2.8Å; E175-R178 WeakPolarHBondContact O-CB 3.41Å; E175-R178 PolarHBondContact O-N 2.77Å; E175-R178 IonicContact OE2-NE 3.83Å; R178-G182 WeakPolarHBondContact O-CA 3.23Å; R178-G182 PolarHBondContact O-N 2.94Å
179Q98Very high96.9Very high139 Ų13959.9 Ų59.965%0.6532%0.318SS*.Hα-helixtrans-63.6-45.8-179.3-171.2-175.59.700111.9E175 S176 A177 G182 S183E175-Q179 WeakPolarHBondContact O-CB 2.93Å; E175-Q179 PolarHBondContact O-N 2.81Å; S176-Q179 PolarHBondContact O-N 2.83Å; A177-Q179 PolarHBondContact O-N 3.47Å; Q179-G182 PolarHBondContact O-N 2.86Å; Q179-S183 VanDerWaalsContact O-CB 3.32Å; Q179-S183 WeakPolarHBondContact O-CB 3.37Å; Q179-S183 PolarHBondContact O-N 3.4Å
180K97.6Very high96.9Very high114 Ų11461.4 Ų61.450%0.49633%0.327SS..Hα-helixtrans-63.5-47179.6-72.5167-178.6157.90112.3S176 A177 L184S176-K180 WeakPolarHBondContact O-CG 3.11Å; S176-K180 PolarHBondContact O-N 3.19Å; S176-K180 VanDerWaalsContact O-N 3.15Å; S176-K180 PolarHBondContact OG-NZ 3.14Å; A177-K180 PolarHBondContact O-N 2.56Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; K180-L184 PolarHBondContact O-N 3.03Å
181Y97.4Very high97Very high13 Ų1363.7 Ų63.75%0.05134%0.335CS..Hα-helixtrans-64.7-48.9175.5165.4-104.9000111.1R138 L142 Y145 A177 S183 L184 N185R138-Y181 HydrophobicContact CG-CD2 4.2Å; R138-Y181 HydrophobicContact CG-CE2 4Å; R138-Y181 PolarHBondContact NH2-OH 3.5Å; L142-Y181 HydrophobicContact CB-CD2 3.88Å; L142-Y181 HydrophobicContact CB-CE2 3.82Å; L142-Y181 HydrophobicContact CD1-CD2 3.98Å; L142-Y181 HydrophobicContact CD1-CE1 4.17Å; L142-Y181 HydrophobicContact CD1-CE2 3.49Å; L142-Y181 VanDerWaalsContact CD1-CE2 3.49Å; L142-Y181 HydrophobicContact CD1-CG 4.5Å; L142-Y181 HydrophobicContact CD2-CE2 4.38Å; L142-Y181 HydrophobicContact CG-CE2 4.09Å; Y145-Y181 HydrophobicContact CD1-CD1 4.18Å; A177-Y181 WeakPolarHBondContact O-CB 3.44Å; A177-Y181 PolarHBondContact O-N 3.38Å; Y181-S183 PolarHBondContact O-N 2.83Å; Y181-L184 PolarHBondContact O-N 2.86Å; Y181-N185 HydrophobicContact CE1-CB 4.36Å; Y181-N185 HydrophobicContact CE2-CB 4.22Å; Y181-N185 VanDerWaalsContact O-CB 3.31Å; Y181-N185 WeakPolarHBondContact O-CB 3.2Å; Y181-N185 PolarHBondContact O-N 2.81Å; Y181-N185 PolarHBondContact OH-OD1 3.21Å
182G95.6Very high97.1Very high26 Ų2659.4 Ų59.427%0.26832%0.315SS..Hα-helixtrans-59.7-43.2-177.400000112.8R178 Q179 N185 S186R178-G182 WeakPolarHBondContact O-CA 3.23Å; R178-G182 PolarHBondContact O-N 2.94Å; Q179-G182 PolarHBondContact O-N 2.86Å; G182-N185 PolarHBondContact O-N 3.42Å; G182-S186 WeakPolarHBondContact O-CB 3.28Å; G182-S186 PolarHBondContact O-N 3Å; G182-S186 PolarHBondContact O-OG 3.02Å; G182-S186 VanDerWaalsContact O-OG 3.14Å
183S97.6Very high97.1Very high83 Ų8355.8 Ų55.858%0.5830%0.301SS*.Hα-helixtrans-60.8-46.9175.9174.20000112.4Q179 Y181 A187Q179-S183 VanDerWaalsContact O-CB 3.32Å; Q179-S183 WeakPolarHBondContact O-CB 3.37Å; Q179-S183 PolarHBondContact O-N 3.4Å; Y181-S183 PolarHBondContact O-N 2.83Å; S183-A187 WeakPolarHBondContact O-CB 3.23Å; S183-A187 PolarHBondContact O-N 3.23Å; S183-A187 VanDerWaalsContact O-N 3.14Å
184L97.3Very high97Very high30 Ų3056.4 Ų56.416%0.15731%0.307CS..Hα-helixtrans-65.1-39.9176.2-72.4167.7000111.9K137 R138 K141 K180 Y181 L188K137-L184 HydrophobicContact CB-CD1 4.4Å; K137-L184 HydrophobicContact CD-CD1 4.26Å; K137-L184 HydrophobicContact CD-CD2 4.32Å; K137-L184 HydrophobicContact CG-CD1 3.88Å; R138-L184 HydrophobicContact CB-CB 4.23Å; R138-L184 HydrophobicContact CG-CB 4.48Å; K141-L184 HydrophobicContact CB-CD1 4.23Å; K141-L184 HydrophobicContact CG-CD1 3.85Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; K180-L184 PolarHBondContact O-N 3.03Å; Y181-L184 PolarHBondContact O-N 2.86Å; L184-L188 WeakPolarHBondContact O-CB 3.34Å; L184-L188 WeakPolarHBondContact O-CG 3.37Å; L184-L188 PolarHBondContact O-N 3.21Å
185N97Very high96.9Very high22 Ų2256.1 Ų56.112%0.11831%0.306CS..Hα-helixtrans-64.9-47.3-179.5-167.479.3000111.6D14 R138 Y181 G182 L188 S189D14-N185 PolarHBondContact OD2-ND2 3.16Å; D14-N185 PolarHBondContact OD2-OD1 3.31Å; R138-N185 PolarHBondContact NE-OD1 3.06Å; R138-N185 PolarHBondContact NH2-OD1 3.33Å; Y181-N185 HydrophobicContact CE1-CB 4.36Å; Y181-N185 HydrophobicContact CE2-CB 4.22Å; Y181-N185 VanDerWaalsContact O-CB 3.31Å; Y181-N185 WeakPolarHBondContact O-CB 3.2Å; Y181-N185 PolarHBondContact O-N 2.81Å; Y181-N185 PolarHBondContact OH-OD1 3.21Å; G182-N185 PolarHBondContact O-N 3.42Å; N185-L188 PolarHBondContact O-N 3.46Å; N185-S189 WeakPolarHBondContact O-CB 3.37Å; N185-S189 PolarHBondContact O-N 3.44Å; N185-S189 PolarHBondContact O-OG 3.49Å
186S95.8Very high96.8Very high64 Ų6454.6 Ų54.645%0.44830%0.296SS..Hα-helixtrans-61.8-49.8178.1-64.20000111.1G182 L188 S189 E190G182-S186 WeakPolarHBondContact O-CB 3.28Å; G182-S186 PolarHBondContact O-N 3Å; G182-S186 PolarHBondContact O-OG 3.02Å; G182-S186 VanDerWaalsContact O-OG 3.14Å; S186-L188 PolarHBondContact O-N 3.45Å; S186-S189 PolarHBondContact O-N 2.95Å; S186-S189 VanDerWaalsContact O-N 3.15Å; S186-E190 PolarHBondContact O-N 3.43Å; S186-E190 VanDerWaalsContact O-N 3.16Å
187A97.3Very high96.5Very high32 Ų3258.6 Ų58.626%0.26431%0.314SS..Hα-helixtrans-57.3-47.6178.300000112.1S183 S189 E190 E191S183-A187 WeakPolarHBondContact O-CB 3.23Å; S183-A187 PolarHBondContact O-N 3.23Å; S183-A187 VanDerWaalsContact O-N 3.14Å; A187-S189 VanDerWaalsContact C-N 3.33Å; A187-S189 PolarHBondContact O-N 2.86Å; A187-E190 PolarHBondContact O-N 2.84Å; A187-E191 WeakPolarHBondContact O-CB 3.34Å; A187-E191 VanDerWaalsContact O-CG 3.31Å; A187-E191 WeakPolarHBondContact O-CG 2.79Å; A187-E191 PolarHBondContact O-N 2.81Å
188L98.1Very high96.4Very high1 Ų159.5 Ų59.51%0.00532%0.324CS..Hα-helixtrans-69.2-29.3178.9-74.2166.1000113.7F17 L131 K134 I135 R138 L184 N185 S186 E190 L192F17-L188 HydrophobicContact CD2-CB 4.46Å; F17-L188 HydrophobicContact CE2-CB 3.79Å; F17-L188 HydrophobicContact CE2-CD1 3.9Å; F17-L188 HydrophobicContact CE2-CG 4.43Å; F17-L188 HydrophobicContact CZ-CD1 4.26Å; L131-L188 HydrophobicContact CD2-CD2 3.74Å; K134-L188 HydrophobicContact CB-CD1 4.27Å; K134-L188 HydrophobicContact CB-CD2 3.82Å; K134-L188 HydrophobicContact CB-CG 4.29Å; K134-L188 HydrophobicContact CD-CD2 4.45Å; I135-L188 HydrophobicContact CG1-CD1 4.28Å; I135-L188 HydrophobicContact CG1-CD2 3.96Å; R138-L188 HydrophobicContact CB-CD1 3.72Å; R138-L188 HydrophobicContact CG-CD1 4.23Å; L184-L188 WeakPolarHBondContact O-CB 3.34Å; L184-L188 WeakPolarHBondContact O-CG 3.37Å; L184-L188 PolarHBondContact O-N 3.21Å; N185-L188 PolarHBondContact O-N 3.46Å; S186-L188 PolarHBondContact O-N 3.45Å; L188-E190 PolarHBondContact O-N 3.41Å; L188-L192 HydrophobicContact CB-CD1 4.28Å; L188-L192 HydrophobicContact CB-CG 4.47Å; L188-L192 HydrophobicContact CD2-CD1 4.3Å; L188-L192 HydrophobicContact CD2-CD2 4.32Å; L188-L192 HydrophobicContact CD2-CG 4.15Å; L188-L192 WeakPolarHBondContact O-CB 3.27Å; L188-L192 VanDerWaalsContact O-CG 3.25Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.14Å; L188-L192 VanDerWaalsContact O-N 3.1Å
189S95.5Very high96.1Very high43 Ų4355.9 Ų55.930%0.30131%0.311SS..Hα-helixtrans-68.5-26.6175.7-590000111.9N185 S186 A187 P193N185-S189 WeakPolarHBondContact O-CB 3.37Å; N185-S189 PolarHBondContact O-N 3.44Å; N185-S189 PolarHBondContact O-OG 3.49Å; S186-S189 PolarHBondContact O-N 2.95Å; S186-S189 VanDerWaalsContact O-N 3.15Å; A187-S189 VanDerWaalsContact C-N 3.33Å; A187-S189 PolarHBondContact O-N 2.86Å; S189-P193 VanDerWaalsContact O-CD 3.26Å; S189-P193 WeakPolarHBondContact O-CD 3.16Å; S189-P193 WeakPolarHBondContact O-CG 3.07Å
190E95.7Very high95.8Very high139 Ų13958.1 Ų58.165%0.6531%0.314SS*.Hα-helixtrans-87-46.9174.9-67.1171.6-165.700111.5S186 A187 L188 V194S186-E190 PolarHBondContact O-N 3.43Å; S186-E190 VanDerWaalsContact O-N 3.16Å; A187-E190 PolarHBondContact O-N 2.84Å; L188-E190 PolarHBondContact O-N 3.41Å; E190-V194 WeakPolarHBondContact O-CG2 3.1Å
191E97.3Very high95.7Very high60 Ų6056.5 Ų56.528%0.2832%0.318SS..Hα-helixtrans-72.1-41.1-173.1-69.6176.5-140.500113.6L131 K134 A187 V194 L195L131-E191 HydrophobicContact CD2-CB 3.95Å; L131-E191 VanDerWaalsContact CD2-OE2 3.23Å; L131-E191 WeakPolarHBondContact CD2-OE2 3.39Å; K134-E191 IonicContact NZ-OE1 2.73Å; K134-E191 PolarHBondContact NZ-OE1 2.78Å; K134-E191 IonicContact NZ-OE2 3.28Å; K134-E191 PolarHBondContact NZ-OE2 3.16Å; A187-E191 WeakPolarHBondContact O-CB 3.34Å; A187-E191 VanDerWaalsContact O-CG 3.31Å; A187-E191 WeakPolarHBondContact O-CG 2.79Å; A187-E191 PolarHBondContact O-N 2.81Å; E191-V194 PolarHBondContact O-N 2.97Å; E191-L195 PolarHBondContact O-N 2.95Å
192L97.1Very high95.6Very high5 Ų557.9 Ų57.93%0.02632%0.324CS..Hα-helixtrans-66.1-45.9-173.5-65.7174.9000113.6F17 N20 F24 L131 I135 L188 L195 Y196F17-L192 HydrophobicContact CE2-CD1 3.97Å; F17-L192 HydrophobicContact CZ-CD1 4.43Å; N20-L192 HydrophobicContact CB-CB 4.09Å; N20-L192 HydrophobicContact CB-CD1 4.2Å; F24-L192 HydrophobicContact CB-CD2 4.11Å; F24-L192 HydrophobicContact CD2-CD2 3.76Å; F24-L192 HydrophobicContact CE2-CD2 4.44Å; F24-L192 HydrophobicContact CG-CD2 4.03Å; L131-L192 HydrophobicContact CB-CD2 4.36Å; L131-L192 HydrophobicContact CD1-CD2 4.22Å; L131-L192 HydrophobicContact CD2-CD2 4.03Å; L131-L192 HydrophobicContact CG-CD2 4.46Å; I135-L192 HydrophobicContact CD1-CD1 4.25Å; I135-L192 HydrophobicContact CD1-CD2 3.95Å; I135-L192 HydrophobicContact CG1-CD1 4.34Å; L188-L192 HydrophobicContact CB-CD1 4.28Å; L188-L192 HydrophobicContact CB-CG 4.47Å; L188-L192 HydrophobicContact CD2-CD1 4.3Å; L188-L192 HydrophobicContact CD2-CD2 4.32Å; L188-L192 HydrophobicContact CD2-CG 4.15Å; L188-L192 WeakPolarHBondContact O-CB 3.27Å; L188-L192 VanDerWaalsContact O-CG 3.25Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.14Å; L188-L192 VanDerWaalsContact O-N 3.1Å; L192-L195 PolarHBondContact O-N 3.07Å; L192-Y196 PolarHBondContact O-N 2.96Å
193P95.8Very high95.5Very high32 Ų3259.7 Ų59.721%0.20833%0.327CS..Hα-helixtrans-62.9-40.8174.9-23.535.5000112.5S189 L195 Y196 D197S189-P193 VanDerWaalsContact O-CD 3.26Å; S189-P193 WeakPolarHBondContact O-CD 3.16Å; S189-P193 WeakPolarHBondContact O-CG 3.07Å; P193-L195 VanDerWaalsContact C-N 3.34Å; P193-L195 PolarHBondContact O-N 2.93Å; P193-Y196 WeakPolarHBondContact O-CA 3.29Å; P193-Y196 WeakPolarHBondContact O-CB 3.41Å; P193-Y196 PolarHBondContact O-N 3.32Å; P193-D197 PolarHBondContact O-N 2.67Å
194V96.3Very high95.3Very high83 Ų8359.1 Ų59.150%0.50332%0.32SS..Hα-helixtrans-60.7-44.6178.9172.40000111E190 E191 Y196 G198E190-V194 WeakPolarHBondContact O-CG2 3.1Å; E191-V194 PolarHBondContact O-N 2.97Å; V194-Y196 VanDerWaalsContact C-N 3.3Å; V194-Y196 PolarHBondContact O-N 3.37Å; V194-G198 PolarHBondContact O-N 2.98Å
195L95.4Very high95.3Very high12 Ų1262.7 Ų62.76%0.06334%0.339CS..Hα-helixtrans-64.2-36.7174179.363.5000111.9F24 Q27 Y124 F128 L131 E191 L192 P193F24-L195 HydrophobicContact CD2-CD2 4.05Å; F24-L195 HydrophobicContact CE2-CD2 4.04Å; Q27-L195 PolarHBondContact NE2-O 3.04Å; Y124-L195 HydrophobicContact CD2-CD1 4.48Å; Y124-L195 HydrophobicContact CE2-CD1 3.96Å; F128-L195 HydrophobicContact CD1-CD2 4.39Å; F128-L195 HydrophobicContact CE1-CD2 4.08Å; F128-L195 HydrophobicContact CZ-CD2 4.31Å; L131-L195 HydrophobicContact CD1-CB 4.4Å; L131-L195 HydrophobicContact CD1-CD2 3.33Å; L131-L195 HydrophobicContact CD1-CG 4.43Å; E191-L195 PolarHBondContact O-N 2.95Å; L192-L195 PolarHBondContact O-N 3.07Å; P193-L195 VanDerWaalsContact C-N 3.34Å; P193-L195 PolarHBondContact O-N 2.93Å
196Y94.1Very high95.2Very high77 Ų7762 Ų6230%0.30234%0.335SS..Hα-helixtrans-62.9-53.7178.3-169-76.7000111.6N23 L192 P193 V194 G198 R199N23-Y196 HydrophobicContact CB-CD2 3.28Å; N23-Y196 HydrophobicContact CB-CE2 3.24Å; N23-Y196 HydrophobicContact CB-CG 4.42Å; N23-Y196 WeakPolarHBondContact OD1-CE2 3.46Å; L192-Y196 PolarHBondContact O-N 2.96Å; P193-Y196 WeakPolarHBondContact O-CA 3.29Å; P193-Y196 WeakPolarHBondContact O-CB 3.41Å; P193-Y196 PolarHBondContact O-N 3.32Å; V194-Y196 VanDerWaalsContact C-N 3.3Å; V194-Y196 PolarHBondContact O-N 3.37Å; Y196-G198 VanDerWaalsContact C-N 3.27Å; Y196-G198 PolarHBondContact O-N 2.79Å; Y196-R199 VanDerWaalsContact CG-CZ 3.41Å; Y196-R199 WeakPolarHBondContact O-CB 3.46Å; Y196-R199 WeakPolarHBondContact O-CD 3.38Å; Y196-R199 WeakPolarHBondContact O-CG 3.42Å; Y196-R199 PolarHBondContact O-N 3.27Å; Y196-R199 PolarHBondContact O-NE 2.68Å
197D93.3Very high95.2Very high125 Ų12561.7 Ų61.767%0.66833%0.328SS*.Hα-helixtrans-70.7-27.9-174.4-66.1-22.6000111.4P193 R199P193-D197 PolarHBondContact O-N 2.67Å; D197-R199 VanDerWaalsContact C-N 3.31Å; D197-R199 PolarHBondContact O-N 2.95Å
198G94.5Very high95.2Very high32 Ų3265.8 Ų65.833%0.3334%0.342SS..Hα-helixtrans-69.9-17.2177.500000115.6V194 Y196 Y200 S201 F202V194-G198 PolarHBondContact O-N 2.98Å; Y196-G198 VanDerWaalsContact C-N 3.27Å; Y196-G198 PolarHBondContact O-N 2.79Å; G198-Y200 PolarHBondContact O-N 3.07Å; G198-S201 PolarHBondContact O-N 2.97Å; G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 3.04Å
199R92.6Very high95.2Very high42 Ų4267.6 Ų67.616%0.15835%0.353CS..Hα-helixtrans-49.8-52.2-174.6-73.1165.5-155.2-157.6-9.1114.6N23 Q27 Y196 D197 L203N23-R199 PolarHBondContact O-NH2 3.5Å; Q27-R199 VanDerWaalsContact CD-CZ 3.49Å; Q27-R199 HydrophobicContact CG-CG 3.88Å; Y196-R199 VanDerWaalsContact CG-CZ 3.41Å; Y196-R199 WeakPolarHBondContact O-CB 3.46Å; Y196-R199 WeakPolarHBondContact O-CD 3.38Å; Y196-R199 WeakPolarHBondContact O-CG 3.42Å; Y196-R199 PolarHBondContact O-N 3.27Å; Y196-R199 PolarHBondContact O-NE 2.68Å; D197-R199 VanDerWaalsContact C-N 3.31Å; D197-R199 PolarHBondContact O-N 2.95Å; R199-L203 WeakPolarHBondContact O-CB 3.33Å; R199-L203 PolarHBondContact O-N 3.16Å
200Y90.4Very high95.3Very high185 Ų18566.8 Ų66.873%0.72535%0.345SS*.Hα-helixtrans-67.3-47.3-172.4174-97.5000109.9G198 F202 L203 V204G198-Y200 PolarHBondContact O-N 3.07Å; Y200-F202 PolarHBondContact O-N 3.48Å; Y200-L203 PolarHBondContact O-N 3.24Å; Y200-V204 HydrophobicContact CD1-CG2 4.37Å; Y200-V204 HydrophobicContact CD2-CG2 4.17Å; Y200-V204 HydrophobicContact CE1-CG2 3.99Å; Y200-V204 HydrophobicContact CE2-CG2 3.78Å; Y200-V204 HydrophobicContact CG-CG2 4.45Å; Y200-V204 WeakPolarHBondContact O-CB 3.39Å; Y200-V204 VanDerWaalsContact O-CG2 3.29Å; Y200-V204 WeakPolarHBondContact O-CG2 3.3Å; Y200-V204 PolarHBondContact O-N 3.1Å
201S95.5Very high95.4Very high81 Ų8165.6 Ų65.657%0.56634%0.338SS*.Hα-helixtrans-59-47.9177-172.90000111.3G198 L203 N205G198-S201 PolarHBondContact O-N 2.97Å; S201-L203 PolarHBondContact O-N 3.43Å; S201-N205 VanDerWaalsContact O-CB 3.3Å; S201-N205 WeakPolarHBondContact O-CB 3.47Å; S201-N205 PolarHBondContact O-N 3.45Å
202F95.6Very high95.4Very high41 Ų4165.7 Ų65.718%0.1834%0.343CS..Hα-helixtrans-57.4-52.4176.4171.9-98.8000111.7F53 L121 Y124 G198 Y200 V204 N205 H206F53-F202 HydrophobicContact CE1-CD1 4.37Å; F53-F202 HydrophobicContact CE1-CE1 4.1Å; L121-F202 HydrophobicContact CD1-CE1 4.25Å; L121-F202 HydrophobicContact CD1-CZ 4.15Å; Y124-F202 AromaticContact CD1-CD1 3.87Å; Y124-F202 HydrophobicContact CD1-CD1 3.87Å; Y124-F202 AromaticContact CD1-CE1 3.4Å; Y124-F202 HydrophobicContact CD1-CE1 3.4Å; Y124-F202 VanDerWaalsContact CD1-CE1 3.4Å; Y124-F202 AromaticContact CD1-CZ 3.83Å; Y124-F202 HydrophobicContact CD1-CZ 3.83Å; Y124-F202 HydrophobicContact CD2-CB 4.4Å; Y124-F202 AromaticContact CD2-CD1 3.66Å; Y124-F202 HydrophobicContact CD2-CD1 3.66Å; Y124-F202 AromaticContact CD2-CD2 3.87Å; Y124-F202 HydrophobicContact CD2-CD2 3.87Å; Y124-F202 AromaticContact CD2-CE1 3.88Å; Y124-F202 HydrophobicContact CD2-CE1 3.88Å; Y124-F202 HydrophobicContact CD2-CE2 4.07Å; Y124-F202 AromaticContact CD2-CG 3.68Å; Y124-F202 HydrophobicContact CD2-CG 3.68Å; Y124-F202 HydrophobicContact CD2-CZ 4.08Å; Y124-F202 AromaticContact CE1-CD1 3.87Å; Y124-F202 HydrophobicContact CE1-CD1 3.87Å; Y124-F202 AromaticContact CE1-CE1 3.77Å; Y124-F202 HydrophobicContact CE1-CE1 3.77Å; Y124-F202 HydrophobicContact CE2-CB 4.2Å; Y124-F202 AromaticContact CE2-CD1 3.66Å; Y124-F202 HydrophobicContact CE2-CD1 3.66Å; Y124-F202 HydrophobicContact CE2-CD2 4.47Å; Y124-F202 HydrophobicContact CE2-CE1 4.21Å; Y124-F202 AromaticContact CE2-CG 3.83Å; Y124-F202 HydrophobicContact CE2-CG 3.83Å; Y124-F202 AromaticContact CG-CD1 3.74Å; Y124-F202 HydrophobicContact CG-CD1 3.74Å; Y124-F202 HydrophobicContact CG-CD2 4.13Å; Y124-F202 AromaticContact CG-CE1 3.42Å; Y124-F202 HydrophobicContact CG-CE1 3.42Å; Y124-F202 VanDerWaalsContact CG-CE1 3.42Å; Y124-F202 AromaticContact CG-CE2 3.84Å; Y124-F202 HydrophobicContact CG-CE2 3.84Å; Y124-F202 HydrophobicContact CG-CG 4.09Å; Y124-F202 AromaticContact CG-CZ 3.49Å; Y124-F202 HydrophobicContact CG-CZ 3.49Å; Y124-F202 VanDerWaalsContact CG-CZ 3.49Å; Y124-F202 AromaticContact CZ-CD1 3.73Å; G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 3.04Å; Y200-F202 PolarHBondContact O-N 3.48Å; F202-V204 PolarHBondContact O-N 2.86Å; F202-N205 PolarHBondContact O-N 3.08Å; F202-H206 HydrophobicContact CE1-CB 4.48Å; F202-H206 HydrophobicContact CZ-CB 4.33Å; F202-H206 WeakPolarHBondContact O-CB 3.4Å; F202-H206 PolarHBondContact O-N 3.27Å
203L92.8Very high95.5Very high65 Ų6565.6 Ų65.634%0.3434%0.343SS..Hα-helixtrans-64.5-43.6-175.7-17763000112R199 Y200 S201 H206 L207R199-L203 WeakPolarHBondContact O-CB 3.33Å; R199-L203 PolarHBondContact O-N 3.16Å; Y200-L203 PolarHBondContact O-N 3.24Å; S201-L203 PolarHBondContact O-N 3.43Å; L203-H206 PolarHBondContact O-N 3.37Å; L203-L207 HydrophobicContact CD1-CD1 3.94Å; L203-L207 HydrophobicContact CD1-CG 4.03Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.4Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.5Å; L203-L207 PolarHBondContact O-N 3.49Å
204V94.1Very high95.6Very high70 Ų7066.8 Ų66.842%0.42435%0.346SS..Hα-helixtrans-62-47.1177.7170.40000110.5Y200 F202 Q208Y200-V204 HydrophobicContact CD1-CG2 4.37Å; Y200-V204 HydrophobicContact CD2-CG2 4.17Å; Y200-V204 HydrophobicContact CE1-CG2 3.99Å; Y200-V204 HydrophobicContact CE2-CG2 3.78Å; Y200-V204 HydrophobicContact CG-CG2 4.45Å; Y200-V204 WeakPolarHBondContact O-CB 3.39Å; Y200-V204 VanDerWaalsContact O-CG2 3.29Å; Y200-V204 WeakPolarHBondContact O-CG2 3.3Å; Y200-V204 PolarHBondContact O-N 3.1Å; F202-V204 PolarHBondContact O-N 2.86Å; V204-Q208 VanDerWaalsContact O-CB 3.25Å; V204-Q208 WeakPolarHBondContact O-CB 3.37Å; V204-Q208 PolarHBondContact O-N 3.17Å
205N96.1Very high95.7Very high106 Ų10666.7 Ų66.757%0.56735%0.348SS*.Hα-helixtrans-65.3-41.4179.5-171.848000112.3S201 F202 Q208 T209S201-N205 VanDerWaalsContact O-CB 3.3Å; S201-N205 WeakPolarHBondContact O-CB 3.47Å; S201-N205 PolarHBondContact O-N 3.45Å; F202-N205 PolarHBondContact O-N 3.08Å; N205-Q208 PolarHBondContact O-N 2.95Å; N205-T209 WeakPolarHBondContact O-CB 3.18Å; N205-T209 PolarHBondContact O-N 2.95Å; N205-T209 PolarHBondContact O-OG1 2.82Å
206H95.9Very high95.8Very high7 Ų768.6 Ų68.63%0.03236%0.363CS..Hα-helixtrans-61.8-50.1177.4178.374.2000111.5S117 F202 L203 T209 L210S117-H206 PolarHBondContact O-CE1 3.05Å; F202-H206 HydrophobicContact CE1-CB 4.48Å; F202-H206 HydrophobicContact CZ-CB 4.33Å; F202-H206 WeakPolarHBondContact O-CB 3.4Å; F202-H206 PolarHBondContact O-N 3.27Å; L203-H206 PolarHBondContact O-N 3.37Å; H206-T209 PolarHBondContact O-N 3.26Å; H206-L210 WeakPolarHBondContact O-CB 3.46Å; H206-L210 PolarHBondContact O-N 3.42Å
207L95.7Very high96Very high57 Ų5765.5 Ų65.530%0.29835%0.351SS..Hα-helixtrans-65.8-39.8178.7-69.2176.9000112.2L203 T209 L210 F211L203-L207 HydrophobicContact CD1-CD1 3.94Å; L203-L207 HydrophobicContact CD1-CG 4.03Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.4Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.5Å; L203-L207 PolarHBondContact O-N 3.49Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 3.44Å; L207-L210 PolarHBondContact O-N 3.27Å; L207-F211 HydrophobicContact CB-CD2 4.24Å; L207-F211 HydrophobicContact CB-CE2 3.93Å; L207-F211 HydrophobicContact CD2-CE2 4.18Å; L207-F211 HydrophobicContact CD2-CZ 4.17Å; L207-F211 HydrophobicContact CG-CE2 4.49Å; L207-F211 WeakPolarHBondContact O-CB 3.1Å; L207-F211 WeakPolarHBondContact O-CD2 3.26Å; L207-F211 WeakPolarHBondContact O-CG 3.27Å; L207-F211 PolarHBondContact O-N 3.3Å
208Q97.5Very high96.2Very high119 Ų11964.2 Ų64.256%0.55634%0.341SS*.Hα-helixtrans-59.9-45.5175-17761.345.700111.1V204 N205 T212V204-Q208 VanDerWaalsContact O-CB 3.25Å; V204-Q208 WeakPolarHBondContact O-CB 3.37Å; V204-Q208 PolarHBondContact O-N 3.17Å; N205-Q208 PolarHBondContact O-N 2.95Å; Q208-T212 PolarHBondContact NE2-OG1 3.41Å; Q208-T212 WeakPolarHBondContact O-CB 3.3Å; Q208-T212 PolarHBondContact O-N 2.69Å; Q208-T212 PolarHBondContact O-OG1 2.89Å
209T98Very high96.4Very high38 Ų3865.5 Ų65.523%0.23334%0.344CS..Hα-helixtrans-61-47.4178.2-59.90000111.2H116 N205 H206 L207 T212 A213H116-T209 HydrophobicContact CB-CG2 3.95Å; N205-T209 WeakPolarHBondContact O-CB 3.18Å; N205-T209 PolarHBondContact O-N 2.95Å; N205-T209 PolarHBondContact O-OG1 2.82Å; H206-T209 PolarHBondContact O-N 3.26Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 3.44Å; T209-T212 PolarHBondContact O-N 3.4Å; T209-A213 WeakPolarHBondContact O-CB 3.46Å; T209-A213 PolarHBondContact O-N 3.27Å
210L97.3Very high96.7Very high27 Ų2765.9 Ų65.914%0.14135%0.349CS..Hα-helixtrans-61.1-53.6179.5-172.4152.8000111.5L60 L113 H206 L207 T212 A213 E214L60-L210 HydrophobicContact CD1-CD1 3.88Å; L113-L210 HydrophobicContact CD2-CG 4.4Å; H206-L210 WeakPolarHBondContact O-CB 3.46Å; H206-L210 PolarHBondContact O-N 3.42Å; L207-L210 PolarHBondContact O-N 3.27Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3Å; L210-A213 WeakPolarHBondContact O-CB 3.22Å; L210-A213 PolarHBondContact O-N 3.45Å; L210-E214 PolarHBondContact O-N 2.92Å
211F97.9Very high97.1Very high113 Ų11357.7 Ų57.750%0.49632%0.319SS..Hα-helixtrans-68.9-30.1-178.1-62.3-39.9000113.1L207 S215L207-F211 HydrophobicContact CB-CD2 4.24Å; L207-F211 HydrophobicContact CB-CE2 3.93Å; L207-F211 HydrophobicContact CD2-CE2 4.18Å; L207-F211 HydrophobicContact CD2-CZ 4.17Å; L207-F211 HydrophobicContact CG-CE2 4.49Å; L207-F211 WeakPolarHBondContact O-CB 3.1Å; L207-F211 WeakPolarHBondContact O-CD2 3.26Å; L207-F211 WeakPolarHBondContact O-CG 3.27Å; L207-F211 PolarHBondContact O-N 3.3Å; F211-S215 WeakPolarHBondContact O-CB 3.24Å; F211-S215 PolarHBondContact O-N 3.16Å
212T98.2Very high97.2Very high63 Ų6357.7 Ų57.739%0.38732%0.316SS..Hα-helixtrans-67.7-41.4173.7-57.20000111Q208 T209 L210 S216Q208-T212 PolarHBondContact NE2-OG1 3.41Å; Q208-T212 WeakPolarHBondContact O-CB 3.3Å; Q208-T212 PolarHBondContact O-N 2.69Å; Q208-T212 PolarHBondContact O-OG1 2.89Å; T209-T212 PolarHBondContact O-N 3.4Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3Å; T212-S216 VanDerWaalsContact O-CB 3.3Å; T212-S216 WeakPolarHBondContact O-CB 3.48Å; T212-S216 PolarHBondContact O-N 3.15Å
213A98.3Very high97.3Very high2 Ų261.4 Ų61.42%0.01733%0.332CS..Hα-helixtrans-61.1-50175.600000111.3Y109 K112 L113 T209 L210 S216 F217Y109-A213 HydrophobicContact CD2-CB 4.37Å; Y109-A213 HydrophobicContact CE2-CB 4.23Å; K112-A213 HydrophobicContact CD-CB 3.65Å; K112-A213 HydrophobicContact CG-CB 3.88Å; L113-A213 HydrophobicContact CD2-CB 4.13Å; T209-A213 WeakPolarHBondContact O-CB 3.46Å; T209-A213 PolarHBondContact O-N 3.27Å; L210-A213 WeakPolarHBondContact O-CB 3.22Å; L210-A213 PolarHBondContact O-N 3.45Å; A213-S216 PolarHBondContact O-N 2.93Å; A213-F217 WeakPolarHBondContact O-CB 3.23Å; A213-F217 PolarHBondContact O-N 3.27Å
214E97.8Very high97.6Very high58 Ų5859.7 Ų59.727%0.27132%0.323SS..Hα-helixtrans-62.3-46.3179.5-174.7169.9-154.900111.8Y63 Y109 L210 S216 F217 H218Y63-E214 PolarHBondContact OH-OE1 3.22Å; Y109-E214 HydrophobicContact CE2-CB 4.31Å; L210-E214 PolarHBondContact O-N 2.92Å; E214-S216 PolarHBondContact O-N 3.14Å; E214-F217 PolarHBondContact O-N 2.66Å; E214-H218 PolarHBondContact O-CD2 3.19Å; E214-H218 PolarHBondContact O-N 2.68Å; E214-H218 VanDerWaalsContact O-N 3.08Å
215S98.3Very high97.8Very high80 Ų8060.1 Ų60.156%0.55932%0.322SS*.Hα-helixtrans-62.1-41.4177.5-176.20000112.6F211 C219F211-S215 WeakPolarHBondContact O-CB 3.24Å; F211-S215 PolarHBondContact O-N 3.16Å; S215-C219 WeakPolarHBondContact O-CB 3.18Å; S215-C219 PolarHBondContact O-N 3.42Å
216S97.8Very high97.8Very high53 Ų5358.1 Ų58.137%0.37131%0.314SS..Hα-helixtrans-64.4-50.1178.9-168.70000110.6T212 A213 E214 H218 C219 D220T212-S216 VanDerWaalsContact O-CB 3.3Å; T212-S216 WeakPolarHBondContact O-CB 3.48Å; T212-S216 PolarHBondContact O-N 3.15Å; A213-S216 PolarHBondContact O-N 2.93Å; E214-S216 PolarHBondContact O-N 3.14Å; S216-H218 PolarHBondContact O-N 3.39Å; S216-C219 PolarHBondContact O-N 2.71Å; S216-D220 PolarHBondContact O-N 3.49Å
217F98.6Very high97.8Very high11 Ų1161.8 Ų61.85%0.04833%0.331CS..Hα-helixtrans-55.4-49.6179.9168.7-105.1000111.8L105 W106 Y109 A213 E214 D220 S221L105-F217 HydrophobicContact CB-CD2 4.26Å; L105-F217 HydrophobicContact CB-CE2 4.19Å; W106-F217 AromaticContact CD2-CE2 3.85Å; W106-F217 HydrophobicContact CD2-CE2 3.85Å; W106-F217 AromaticContact CD2-CZ 3.59Å; W106-F217 HydrophobicContact CD2-CZ 3.59Å; W106-F217 AromaticContact CE2-CZ 3.75Å; W106-F217 HydrophobicContact CE3-CE1 4.15Å; W106-F217 AromaticContact CE3-CE2 3.8Å; W106-F217 HydrophobicContact CE3-CE2 3.8Å; W106-F217 AromaticContact CE3-CZ 3.36Å; W106-F217 HydrophobicContact CE3-CZ 3.36Å; W106-F217 HydrophobicContact CG-CE2 4.27Å; W106-F217 HydrophobicContact CG-CZ 4.43Å; W106-F217 AromaticContact CH2-CE1 3.88Å; W106-F217 HydrophobicContact CH2-CE1 3.88Å; W106-F217 AromaticContact CH2-CZ 3.52Å; W106-F217 HydrophobicContact CH2-CZ 3.52Å; W106-F217 HydrophobicContact CZ2-CE1 4.47Å; W106-F217 AromaticContact CZ2-CZ 3.75Å; W106-F217 HydrophobicContact CZ2-CZ 3.75Å; W106-F217 AromaticContact CZ3-CE1 3.69Å; W106-F217 HydrophobicContact CZ3-CE1 3.69Å; W106-F217 HydrophobicContact CZ3-CE2 4.19Å; W106-F217 AromaticContact CZ3-CZ 3.3Å; W106-F217 HydrophobicContact CZ3-CZ 3.3Å; Y109-F217 HydrophobicContact CD1-CB 4.05Å; Y109-F217 AromaticContact CD1-CD1 3.51Å; Y109-F217 HydrophobicContact CD1-CD1 3.51Å; Y109-F217 AromaticContact CD1-CD2 3.84Å; Y109-F217 HydrophobicContact CD1-CD2 3.84Å; Y109-F217 AromaticContact CD1-CE1 3.9Å; Y109-F217 HydrophobicContact CD1-CE1 3.9Å; Y109-F217 HydrophobicContact CD1-CE2 4.2Å; Y109-F217 AromaticContact CD1-CG 3.49Å; Y109-F217 HydrophobicContact CD1-CG 3.49Å; Y109-F217 VanDerWaalsContact CD1-CG 3.49Å; Y109-F217 HydrophobicContact CD1-CZ 4.24Å; Y109-F217 HydrophobicContact CD2-CB 3.87Å; Y109-F217 HydrophobicContact CD2-CG 4.23Å; Y109-F217 AromaticContact CE1-CD1 3.7Å; Y109-F217 HydrophobicContact CE1-CD1 3.7Å; Y109-F217 HydrophobicContact CE1-CE1 4.14Å; Y109-F217 HydrophobicContact CE1-CG 4.08Å; Y109-F217 HydrophobicContact CE2-CB 4.35Å; Y109-F217 HydrophobicContact CG-CB 3.72Å; Y109-F217 HydrophobicContact CG-CD1 4.09Å; Y109-F217 AromaticContact CG-CD2 3.85Å; Y109-F217 HydrophobicContact CG-CD2 3.85Å; Y109-F217 AromaticContact CG-CG 3.59Å; Y109-F217 HydrophobicContact CG-CG 3.59Å; A213-F217 WeakPolarHBondContact O-CB 3.23Å; A213-F217 PolarHBondContact O-N 3.27Å; E214-F217 PolarHBondContact O-N 2.66Å; F217-D220 PolarHBondContact O-N 3.39Å; F217-S221 WeakPolarHBondContact CE2-OG 3.44Å; F217-S221 WeakPolarHBondContact CZ-OG 3.44Å; F217-S221 VanDerWaalsContact O-CB 3.24Å; F217-S221 WeakPolarHBondContact O-CB 3.41Å; F217-S221 PolarHBondContact O-N 3.37Å; F217-S221 PolarHBondContact O-OG 3.05Å
218H98.1Very high97.8Very high98 Ų9860.1 Ų60.145%0.45432%0.322SS..Hα-helixtrans-68.2-36179.9-70.6-54.2000113.1E214 S216 V222E214-H218 PolarHBondContact O-CD2 3.19Å; E214-H218 PolarHBondContact O-N 2.68Å; E214-H218 VanDerWaalsContact O-N 3.08Å; S216-H218 PolarHBondContact O-N 3.39Å; H218-V222 WeakPolarHBondContact O-CG1 3.28Å; H218-V222 PolarHBondContact O-N 3.23Å; H218-V222 VanDerWaalsContact O-N 3.07Å
219C98.4Very high97.7Very high60 Ų6060.3 Ų60.341%0.40532%0.323SS..Hα-helixtrans-63.9-40.8177.1-173.90000112.1S215 S216 V222 K223S215-C219 WeakPolarHBondContact O-CB 3.18Å; S215-C219 PolarHBondContact O-N 3.42Å; S216-C219 PolarHBondContact O-N 2.71Å; C219-V222 WeakPolarHBondContact O-CG1 3.33Å; C219-K223 WeakPolarHBondContact O-CG 3.11Å
220D98.5Very high97.5Very high50 Ų5063.1 Ų63.127%0.26734%0.337SS..Hα-helixtrans-80.2-36.3180-63.3-32.8000111.7L105 S216 F217 V222 K223 L224L105-D220 HydrophobicContact CD1-CB 3.76Å; L105-D220 HydrophobicContact CD2-CB 4.15Å; S216-D220 PolarHBondContact O-N 3.49Å; F217-D220 PolarHBondContact O-N 3.39Å; D220-V222 VanDerWaalsContact C-N 3.34Å; D220-V222 PolarHBondContact O-N 2.7Å; D220-K223 WeakPolarHBondContact O-CB 3.46Å; D220-K223 PolarHBondContact O-N 3.5Å; D220-K223 VanDerWaalsContact O-N 3.16Å; D220-K223 IonicContact OD1-NZ 3.09Å; D220-K223 PolarHBondContact OD1-NZ 2.79Å; D220-L224 PolarHBondContact O-N 3.41Å; D220-L224 VanDerWaalsContact O-N 3.12Å
221S98.2Very high97.3Very high12 Ų1262.8 Ų62.88%0.08434%0.336CS..Hα-helixtrans-56.7-45.4173.2-64.50000112F217 K223 L224 L225F217-S221 WeakPolarHBondContact CE2-OG 3.44Å; F217-S221 WeakPolarHBondContact CZ-OG 3.44Å; F217-S221 VanDerWaalsContact O-CB 3.24Å; F217-S221 WeakPolarHBondContact O-CB 3.41Å; F217-S221 PolarHBondContact O-N 3.37Å; F217-S221 PolarHBondContact O-OG 3.05Å; S221-K223 VanDerWaalsContact C-N 3.31Å; S221-K223 PolarHBondContact O-N 3.01Å; S221-L224 PolarHBondContact O-N 2.81Å; S221-L225 WeakPolarHBondContact O-CB 3.37Å; S221-L225 VanDerWaalsContact O-CG 3.23Å; S221-L225 WeakPolarHBondContact O-CG 3.3Å; S221-L225 PolarHBondContact O-N 3.12Å
222V98.4Very high97Very high82 Ų8260.8 Ų60.850%0.49733%0.332SS..Hα-helixtrans-66.3-33.1-179.968.20000112.3H218 C219 D220 T226H218-V222 WeakPolarHBondContact O-CG1 3.28Å; H218-V222 PolarHBondContact O-N 3.23Å; H218-V222 VanDerWaalsContact O-N 3.07Å; C219-V222 WeakPolarHBondContact O-CG1 3.33Å; D220-V222 VanDerWaalsContact C-N 3.34Å; D220-V222 PolarHBondContact O-N 2.7Å; V222-T226 VanDerWaalsContact O-CB 3.24Å; V222-T226 WeakPolarHBondContact O-CB 3.43Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 3.06Å
223K98.5Very high96.5Very high119 Ų11961.9 Ų61.952%0.51734%0.339SS..Hα-helixtrans-63.8-50.2175.6-66.4167.8-163.4160.70110.5C219 D220 S221 T226 E227C219-K223 WeakPolarHBondContact O-CG 3.11Å; D220-K223 WeakPolarHBondContact O-CB 3.46Å; D220-K223 PolarHBondContact O-N 3.5Å; D220-K223 VanDerWaalsContact O-N 3.16Å; D220-K223 IonicContact OD1-NZ 3.09Å; D220-K223 PolarHBondContact OD1-NZ 2.79Å; S221-K223 VanDerWaalsContact C-N 3.31Å; S221-K223 PolarHBondContact O-N 3.01Å; K223-T226 PolarHBondContact O-N 2.81Å; K223-E227 WeakPolarHBondContact O-CB 3.37Å; K223-E227 PolarHBondContact O-N 3.39Å
224L98.3Very high95.3Very high29 Ų2964.7 Ų64.715%0.15236%0.357CS..Hα-helixtrans-62.7-43.9178.8-70.6-177.6000112.2I98 L102 L105 D220 S221 T226 E227 M228I98-L224 HydrophobicContact CG2-CB 3.96Å; I98-L224 HydrophobicContact CG2-CD2 4.35Å; I98-L224 WeakPolarHBondContact CG2-O 3.17Å; L102-L224 HydrophobicContact CD2-CB 3.87Å; L102-L224 HydrophobicContact CD2-CD1 3.9Å; L102-L224 HydrophobicContact CG-CB 4.08Å; L102-L224 HydrophobicContact CG-CD1 3.92Å; L105-L224 HydrophobicContact CD1-CD1 3.5Å; L105-L224 HydrophobicContact CD1-CG 4.45Å; L105-L224 HydrophobicContact CG-CD1 4.25Å; D220-L224 PolarHBondContact O-N 3.41Å; D220-L224 VanDerWaalsContact O-N 3.12Å; S221-L224 PolarHBondContact O-N 2.81Å; L224-T226 PolarHBondContact O-N 3.27Å; L224-E227 WeakPolarHBondContact O-CB 3.45Å; L224-E227 PolarHBondContact O-N 3.49Å; L224-M228 PolarHBondContact O-N 3.4Å
225L97.5Very high93.9Very high79 Ų7970.7 Ų70.741%0.41438%0.382SS..Hα-helixtrans-65.8-38177.8-69.5170000112.3Y78 L102 S221 E227 M228 Q229Y78-L225 WeakPolarHBondContact OH-CD2 3.31Å; L102-L225 HydrophobicContact CD1-CD2 3.89Å; L102-L225 HydrophobicContact CD1-CG 4.5Å; L102-L225 HydrophobicContact CD2-CD2 4.49Å; L102-L225 HydrophobicContact CD2-CG 4.32Å; S221-L225 WeakPolarHBondContact O-CB 3.37Å; S221-L225 VanDerWaalsContact O-CG 3.23Å; S221-L225 WeakPolarHBondContact O-CG 3.3Å; S221-L225 PolarHBondContact O-N 3.12Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-M228 WeakPolarHBondContact O-CB 3.28Å; L225-M228 PolarHBondContact O-N 3.2Å; L225-Q229 PolarHBondContact O-N 2.97Å
226T97.4Very high92Very high64 Ų6472.7 Ų72.739%0.39339%0.386SS..Hα-helixtrans-67-38.6174.5-57.80000111.1V222 K223 L224 Q229 N230V222-T226 VanDerWaalsContact O-CB 3.24Å; V222-T226 WeakPolarHBondContact O-CB 3.43Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 3.06Å; K223-T226 PolarHBondContact O-N 2.81Å; L224-T226 PolarHBondContact O-N 3.27Å; T226-Q229 PolarHBondContact O-N 3.33Å; T226-N230 PolarHBondContact O-N 3.14Å; T226-N230 VanDerWaalsContact O-N 3.16Å; T226-N230 PolarHBondContact O-ND2 2.82Å
227E96.2Very high89.5Confident83 Ų8376.9 Ų76.939%0.38840%0.399SS..Hα-helixtrans-62.7-46.1174.2-170.9166.1-158.700111.2H94 I98 K223 L224 L225 Q229 N230 V231H94-E227 IonicContact CE1-OE1 2.67Å; H94-E227 PolarHBondContact CE1-OE1 3.29Å; H94-E227 IonicContact NE2-OE1 3.79Å; H94-E227 PolarHBondContact NE2-OE1 2.95Å; H94-E227 VanDerWaalsContact NE2-OE1 3.09Å; I98-E227 HydrophobicContact CD1-CB 4.16Å; I98-E227 HydrophobicContact CD1-CG 3.79Å; I98-E227 HydrophobicContact CG1-CG 4.45Å; K223-E227 WeakPolarHBondContact O-CB 3.37Å; K223-E227 PolarHBondContact O-N 3.39Å; L224-E227 WeakPolarHBondContact O-CB 3.45Å; L224-E227 PolarHBondContact O-N 3.49Å; L225-E227 VanDerWaalsContact C-N 3.34Å; E227-Q229 VanDerWaalsContact C-N 3.31Å; E227-Q229 PolarHBondContact O-N 3.32Å; E227-N230 WeakPolarHBondContact O-CB 3.5Å; E227-N230 PolarHBondContact O-N 2.8Å; E227-N230 VanDerWaalsContact O-N 3.08Å; E227-V231 WeakPolarHBondContact O-CG2 3.22Å; E227-V231 PolarHBondContact O-N 3.5Å; E227-V231 VanDerWaalsContact O-N 3.09Å
228M95.2Very high87.1Confident23 Ų2383.1 Ų83.111%0.11343%0.432CS..Hα-helixtrans-55.6-47.2174.7-173.7658200111.5V95 I98 T99 L224 L225 N230 V231 V232V95-M228 HydrophobicContact CB-CE 4.42Å; V95-M228 HydrophobicContact CB-SD 3.96Å; V95-M228 HydrophobicContact CG1-CE 3.95Å; V95-M228 HydrophobicContact CG1-SD 3.75Å; V95-M228 HydrophobicContact CG2-SD 3.74Å; V95-M228 WeakPolarHBondContact O-CE 3.49Å; I98-M228 HydrophobicContact CB-CE 3.57Å; I98-M228 HydrophobicContact CD1-CB 4.28Å; I98-M228 HydrophobicContact CD1-CE 4.37Å; I98-M228 HydrophobicContact CD1-SD 4.24Å; I98-M228 HydrophobicContact CG2-CB 4.14Å; I98-M228 HydrophobicContact CG2-CE 3.61Å; T99-M228 HydrophobicContact CG2-CE 3.45Å; T99-M228 VanDerWaalsContact CG2-CE 3.45Å; L224-M228 PolarHBondContact O-N 3.4Å; L225-M228 WeakPolarHBondContact O-CB 3.28Å; L225-M228 PolarHBondContact O-N 3.2Å; M228-N230 VanDerWaalsContact C-N 3.27Å; M228-N230 PolarHBondContact O-N 3.47Å; M228-V231 PolarHBondContact O-N 3.23Å; M228-V231 VanDerWaalsContact O-N 3.13Å; M228-V232 HydrophobicContact CG-CG2 4.34Å; M228-V232 WeakPolarHBondContact O-CG2 3.37Å; M228-V232 PolarHBondContact O-N 3.4Å; M228-V232 HydrophobicContact SD-CG2 4.15Å
229Q95.1Very high84.7Confident123 Ų12386.3 Ų86.358%0.57544%0.444SS*.Hα-helixtrans-56.9-41.4178-177-175.9-6.300111.8L225 T226 E227 T233L225-Q229 PolarHBondContact O-N 2.97Å; T226-Q229 PolarHBondContact O-N 3.33Å; E227-Q229 VanDerWaalsContact C-N 3.31Å; E227-Q229 PolarHBondContact O-N 3.32Å; Q229-T233 WeakPolarHBondContact O-CA 3.08Å; Q229-T233 WeakPolarHBondContact O-CB 3.46Å; Q229-T233 PolarHBondContact O-N 3.22Å; Q229-T233 PolarHBondContact O-OG1 2.9Å
230N94.5Very high82.3Confident97 Ų9788.9 Ų88.952%0.51945%0.454SS..Hα-helixtrans-71.3-28.8179.5-68.4-46000113.3T226 E227 M228 T233T226-N230 PolarHBondContact O-N 3.14Å; T226-N230 VanDerWaalsContact O-N 3.16Å; T226-N230 PolarHBondContact O-ND2 2.82Å; E227-N230 WeakPolarHBondContact O-CB 3.5Å; E227-N230 PolarHBondContact O-N 2.8Å; E227-N230 VanDerWaalsContact O-N 3.08Å; M228-N230 VanDerWaalsContact C-N 3.27Å; M228-N230 PolarHBondContact O-N 3.47Å; N230-T233 CarbonylContact O-C 3.58Å
231V93.1Very high79.7Confident20 Ų2090.6 Ų90.612%0.12147%0.47CS..Hα-helixtrans-73-50175.71760000110.5H94 V95 I98 E227 M228H94-V231 HydrophobicContact CB-CG1 4.42Å; H94-V231 HydrophobicContact CB-CG2 4.31Å; H94-V231 WeakPolarHBondContact ND1-CG2 3.43Å; V95-V231 HydrophobicContact CG2-CG1 3.77Å; I98-V231 HydrophobicContact CD1-CG2 4.23Å; E227-V231 WeakPolarHBondContact O-CG2 3.22Å; E227-V231 PolarHBondContact O-N 3.5Å; E227-V231 VanDerWaalsContact O-N 3.09Å; M228-V231 PolarHBondContact O-N 3.23Å; M228-V231 VanDerWaalsContact O-N 3.13Å
232V90.9Very high77.5Confident70 Ų7093.7 Ų93.742%0.42450%0.496SS..Hα-helixtrans-75.5-26.8-176178.30000112.2Y85 V95 M228 P234Y85-V232 HydrophobicContact CE2-CB 4.45Å; Y85-V232 HydrophobicContact CE2-CG1 4.21Å; Y85-V232 HydrophobicContact CE2-CG2 3.81Å; V95-V232 HydrophobicContact CG2-CG2 4.07Å; M228-V232 HydrophobicContact CG-CG2 4.34Å; M228-V232 WeakPolarHBondContact O-CG2 3.37Å; M228-V232 PolarHBondContact O-N 3.4Å; M228-V232 HydrophobicContact SD-CG2 4.15Å; V232-P234 WeakPolarHBondContact O-CD 3.49Å
233T87.9Confident75Confident87 Ų8797.1 Ų97.153%0.53451%0.507SS..SBendtrans-107.581.6171.5-45.60000108.6Q229 N230 K235Q229-T233 WeakPolarHBondContact O-CA 3.08Å; Q229-T233 WeakPolarHBondContact O-CB 3.46Å; Q229-T233 PolarHBondContact O-N 3.22Å; Q229-T233 PolarHBondContact O-OG1 2.9Å; N230-T233 CarbonylContact O-C 3.58Å; T233-K235 PolarHBondContact O-N 3.3Å
234P73.4Confident72.1Confident60 Ų6097.4 Ų97.439%0.3951%0.514SS..  trans-50138.3164.5-1725.4000107.2V232 I236V232-P234 WeakPolarHBondContact O-CD 3.49Å; P234-I236 HydrophobicContact CB-CG1 4.5Å; P234-I236 PolarHBondContact O-N 3.38Å
235K67.7Low69.7Low184 Ų18499.3 Ų99.380%0.853%0.534SS*.  trans-64.579.2164.7-67.4179.2-177172.80106.7T233 H237T233-K235 PolarHBondContact O-N 3.3Å; K235-H237 VanDerWaalsContact C-N 3.31Å; K235-H237 PolarHBondContact O-N 2.93Å
236I57.6Low67Low123 Ų123102.5 Ų102.563%0.63155%0.552SS**  trans-57.3108.7164.7-62.2173.9000102.3P234 L238P234-I236 HydrophobicContact CB-CG1 4.5Å; P234-I236 PolarHBondContact O-N 3.38Å; I236-L238 PolarHBondContact O-N 3.04Å
237H45.8Very low64.3Low140 Ų140110 Ų11065%0.64857%0.573SS**  trans-55.895.6163.2-79-73.8000105.5K235 K239 D240K235-H237 VanDerWaalsContact C-N 3.31Å; K235-H237 PolarHBondContact O-N 2.93Å; H237-K239 PolarHBondContact O-N 3.05Å; H237-D240 PolarHBondContact O-N 2.7Å; H237-D240 VanDerWaalsContact O-N 3.08Å
238L47.9Very low61.5Low143 Ų143111.4 Ų111.475%0.74959%0.587SS**THydrogen-bonded Turntrans-54.1-0.9168.9-82.1153.1000112.3I236I236-L238 PolarHBondContact O-N 3.04Å
239K49Very low58.8Low164 Ų164117.7 Ų117.771%0.71362%0.621SS**THydrogen-bonded Turntrans-71.6-25.8171.7-65.9-168.6174.8-175.10113.1H237H237-K239 PolarHBondContact O-N 3.05Å
240D47.5Very low55.9Low115 Ų115120.5 Ų120.562%0.61563%0.634SS**SBendtrans-88.2-22.1-177.8-64.2-17.8000113H237 A242 Q243H237-D240 PolarHBondContact O-N 2.7Å; H237-D240 VanDerWaalsContact O-N 3.08Å; D240-A242 VanDerWaalsContact C-N 3.25Å; D240-A242 PolarHBondContact O-N 2.73Å; D240-Q243 PolarHBondContact O-N 3.44Å
241S44.6Very low52.9Low86 Ų86125.8 Ų125.860%0.60166%0.656SS**THydrogen-bonded Turntrans-69.8-20.7169.8-76.90000113.4Q243S241-Q243 VanDerWaalsContact C-N 3.32Å
242A50.2Low50.1Low76 Ų76128.9 Ų128.963%0.62868%0.683SS**THydrogen-bonded Turntrans-73.6-23.4174.400000112.8D240D240-A242 VanDerWaalsContact C-N 3.25Å; D240-A242 PolarHBondContact O-N 2.73Å
243Q47.2Very low47.3Very low155 Ų155132.6 Ų132.672%0.72470%0.7SS**THydrogen-bonded Turntrans-88.8-10.7-179.6-73.8-167.1-24.300114.2D240 S241D240-Q243 PolarHBondContact O-N 3.44Å; S241-Q243 VanDerWaalsContact C-N 3.32Å
244N38.2Very low44.4Very low125 Ų125136.1 Ų136.167%0.66871%0.713SS**SBendtrans-96.8-3.1178.4-139.520.4000114.5
245A46.1Very low42.3Very low69 Ų69142 Ų14257%0.5773%0.733SS**THydrogen-bonded Turntrans-82.5-13.1176.900000114.3
246N41.8Very low40.4Very low146 Ų146140.1 Ų140.178%0.78174%0.736SS**THydrogen-bonded Turntrans-114.429.1-177.4-85.21.2000114
247R39.9Very low39.1Very low221 Ų221138.5 Ų138.583%0.83474%0.741SS**  trans-116.113.1175.6-88.3-174163.5163.1-2.4115.4
248V38.9Very low38.1Very low113 Ų113140.1 Ų140.169%0.68575%0.754SS**SBendtrans-100.2122.2160.9-108.50000107
249D36.7Very low37.2Very low154 Ų154136.3 Ų136.382%0.82475%0.75SS**SBendtrans94124.5175.1-50.3-35.9000117
250E34.3Very low36.2Very low183 Ų183135.8 Ų135.886%0.85576%0.755SS**  trans92.559.4173-55-164.9148.500118.5A252E250-A252 PolarHBondContact O-N 3.35Å
251E31.2Very low35.2Very low208 Ų208139.3 Ų139.397%0.97277%0.765SS**  trans-59.985.1133.6-73.9-174.2147.300110.1
252A35.2Very low34.5Very low85 Ų85138.8 Ų138.870%0.70277%0.765SS**  trans-161.4120.7157.600000112.8E250E250-A252 PolarHBondContact O-N 3.35Å
253N31.9Very low33.3Very low147 Ų147142.4 Ų142.479%0.78678%0.775SS**  trans86.784150.6-159.149.2000120
254M26.7Very low32.6Very low161 Ų161141.1 Ų141.179%0.79378%0.777SS**  20.9113.6117.5-153.2142.494.600118.7
255K30.1Very low31.9Very low185 Ų185143.6 Ų143.680%0.80479%0.785SS**  167.7117.1123.5-91.5171-176.8-179.30114.4
256V26.5Very low31.1Very low143 Ų143151.4 Ų151.487%0.86780%0.799SS**  trans13.6129137.4-166.30000121
257A32.2Very low30.3Very low89 Ų89151.9 Ų151.974%0.73680%0.802SS**  trans152108.7132.300000109.1
258D24.5Very low29.6Very low174 Ų174146.2 Ų146.293%0.9380%0.796SS**  64.1123.591.3-162.654.8000115
259G28.8Very low29Very low64 Ų64146.2 Ų146.266%0.6680%0.801SS**  trans141.585.4168.700000117.9
260D27.6Very low28.5Very low153 Ų153143.4 Ų143.482%0.81880%0.799SS**  trans44.4130.9132.1-81.8-33.3000125.2
261K27.2Very low28.5Very low188 Ų188139.1 Ų139.182%0.81780%0.795SS**  trans87.1123.7131.2-84.5-178.2178.8174.50123.4
262A28.4Very low28.2Very low75 Ų75136 Ų13662%0.6279%0.791SS**  88.7110.6121.300000121.1
263D25.8Very low27.6Very low153 Ų153141.1 Ų141.182%0.81880%0.797SS**  76.8141.1122.8-56.2-37.6000123.6
264V31.7Very low27.6Very low128 Ų128140 Ų14078%0.77680%0.798SS**  trans109.5102.2142.5-164.10000118.7
265E24.1Very low27.5Very low177 Ų177138.2 Ų138.283%0.82780%0.796SS**  trans-23.1151.1145.3-58.8175.9137.900119.6
266R30.3Very low27.5Very low232 Ų232137.7 Ų137.788%0.87580%0.801SS**  174.4113.2126.6-96.7170.1-165.2-170.85.2109.2
267N23.3Very low27.6Very low156 Ų156139.3 Ų139.383%0.83480%0.799SS**  47.8113.287-86.58.2000115.6
268S26.5Very low27.2Very low102 Ų102144.2 Ų144.271%0.71381%0.807SS**  150.6144.186.660.60000113.2
269S26.9Very low27.6Very low114 Ų114142.5 Ų142.580%0.79780%0.803SS**  trans69155.414473.40000118.6
270A26.1Very low27.4Very low94 Ų94150.8 Ų150.878%0.77781%0.814SS**  cis177.4144.5-18.600000104.6
271A32.6Very low27.7Very low93 Ų93147.9 Ų147.977%0.76981%0.811SS**  trans165.695.6149.200000109.5
272T25.2Very low27.8Very low144 Ų144146.3 Ų146.388%0.88381%0.812SS**  78.497.294.6-43.20000113.9
273K24Very low28.1Very low191 Ų191148.3 Ų148.383%0.8382%0.822SS**PPolyproline II helixtrans-79.7148.7161.8-83.4179.5170-176.10110.2
274P32.1Very low28.3Very low125 Ų125148.7 Ų148.781%0.81282%0.824SS**PPolyproline II helixtrans-90.4133.816733.1-26.5000111.3
275T23.8Very low28.3Very low123 Ų123151.1 Ų151.176%0.75583%0.827SS**PPolyproline II helixtrans-99.6126.7173.3-450000107.7
276L31.2Very low28.6Very low174 Ų174150.3 Ų150.391%0.91183%0.828SS**  trans-107.5116.5162.8-112.598.7000107.3
277E26.8Very low28.8Very low176 Ų176144.3 Ų144.382%0.82281%0.813SS**  trans-77.2140-179.7-80.8164.7140.400112.1
278E25.6Very low29.5Very low193 Ų193142.3 Ų142.390%0.90281%0.808SS**  trans-62.5126.6175.7-66.8167140.700111.4
279T31Very low30.1Very low137 Ų137143.6 Ų143.684%0.8480%0.802SS**  trans-108100.9160.9-56.30000108.6A281T279-A281 PolarHBondContact O-N 2.89Å
280R25.5Very low30.2Very low238 Ų238142.6 Ų142.690%0.89879%0.794SS**  trans-75.799.6172.4-171177.8-174.4152.31.3108.6
281A33.2Very low30.6Very low92 Ų92142.9 Ų142.976%0.7679%0.791SS**  trans-104.2104.5169.400000109.2T279T279-A281 PolarHBondContact O-N 2.89Å
282N29.1Very low30.5Very low156 Ų156146.2 Ų146.283%0.83480%0.796SS**  trans-93.4115173.3-152.544.6000106.9
283S36.1Very low30.9Very low117 Ų117145.7 Ų145.782%0.81879%0.792SS**  trans-16791.7159.654.10000109.7
284N29.1Very low31.2Very low161 Ų161144.1 Ų144.186%0.86179%0.793SS**  trans-99.2101.6159.7-161.723.7000104.5
285E31.7Very low30.7Very low179 Ų179146.3 Ų146.384%0.83679%0.792SS**  trans-176135.5165.6-105.8164.4-156.500108.9
286N29.6Very low31Very low160 Ų160145.8 Ų145.886%0.85679%0.794SS**  trans97.363.3179.7-52.6-29.2000117
287N36Very low31.1Very low106 Ų106142.9 Ų142.957%0.56779%0.786SS**  trans-106.8109.7146-171.55.5000108.8F289N287-F289 PolarHBondContact O-N 3.27Å; N287-F289 VanDerWaalsContact O-N 3.16Å
288P38Very low30.9Very low113 Ų113146 Ų14673%0.73479%0.79SS**THydrogen-bonded Turntrans-77.510.6-176.330.5-32.8000114.5
289F37.6Very low31Very low130 Ų130143.7 Ų143.757%0.5779%0.789SS**THydrogen-bonded Turntrans-109.411.9178.5-72.9-77.2000114.9N287 S291N287-F289 PolarHBondContact O-N 3.27Å; N287-F289 VanDerWaalsContact O-N 3.16Å; F289-S291 PolarHBondContact O-N 2.62Å; F289-S291 VanDerWaalsContact O-N 3.08Å
290S30.9Very low30.5Very low92 Ų92142 Ų14264%0.64378%0.783SS**  trans-73.799.7165.3-75.70000109.2D292S290-D292 PolarHBondContact O-N 2.98Å
291S33.4Very low30.7Very low101 Ų101138.2 Ų138.271%0.70678%0.78SS**  trans-69.795.9171.659.20000109.8F289 T293F289-S291 PolarHBondContact O-N 2.62Å; F289-S291 VanDerWaalsContact O-N 3.08Å; S291-T293 PolarHBondContact O-N 3.44Å; S291-T293 PolarHBondContact O-OG1 3.29Å
292D29.7Very low30.2Very low163 Ų163140.4 Ų140.487%0.87278%0.784SS**  trans-59.4107.2161.1-77-40.1000108S290S290-D292 PolarHBondContact O-N 2.98Å
293T33.7Very low30.2Very low132 Ų132138.4 Ų138.481%0.8178%0.78SS**  trans-91112.3174.7-33.30000107S291S291-T293 PolarHBondContact O-N 3.44Å; S291-T293 PolarHBondContact O-OG1 3.29Å
294D30.4Very low29.8Very low159 Ų159138.5 Ų138.585%0.8578%0.778SS**  trans-53140.1-178.6-168.412.2000113
295E22.6Very low29.4Very low170 Ų170135.2 Ų135.279%0.79477%0.773SS**  trans-90.2125.3-175.3179.6-172.3154.700109.5
296S29.1Very low29.2Very low113 Ų113132.9 Ų132.979%0.7977%0.773SS**  trans174.5154.3149.7-87.40000113.1
297P34.8Very low28.9Very low113 Ų113129.3 Ų129.373%0.73477%0.766SS**  -129.4156.7-62.931.3-12000113.2
298R21.8Very low28.2Very low242 Ų242133 Ų13391%0.91378%0.78SS**  trans14.1119.2147.8-64.2177.1176.3-142.3-2.2118.2
299T27Very low27.7Very low144 Ų144134.7 Ų134.788%0.88379%0.788SS**  -134.2123.7122.852.30000110.5
300S21.7Very low26.8Very low101 Ų101136.7 Ų136.771%0.70680%0.799SS**  trans-63.5144.1168.647.80000111
301N30Very low26.5Very low159 Ų159139.8 Ų139.885%0.8581%0.808SS**  trans-171.496.6133.5-88.1-20.3000110
302T21.5Very low25.9Very low137 Ų137138.2 Ų138.284%0.8481%0.808SS**  trans-87.3138.7159-30.50000108.1
303P30.4Very low25.6Very low115 Ų115137.4 Ų137.475%0.74781%0.809SS**  trans-117.6158141.811.19.1000111.5
304P26Very low25.1Very low119 Ų119138.3 Ų138.377%0.77381%0.805SS**  trans-100.6171.8-153.538.7-33.1000114.3
305A21.1Very low25.1Very low91 Ų91136.8 Ų136.875%0.75280%0.804SS**  trans-45.6159.7175.400000116.8
306P28.3Very low25Very low131 Ų131133.6 Ų133.685%0.85180%0.8SS**  trans-111.5137.413620.1-2.4000111.4
307A23.2Very low25Very low84 Ų84132.9 Ų132.969%0.69480%0.801SS**  trans-78.7152179.600000113.2
308Q20.8Very low24.5Very low185 Ų185134.3 Ų134.386%0.86480%0.803SS**  trans51.5115.2136.7-66.7-172.9-26.100119.8
309V27.7Very low24.7Very low148 Ų148131.5 Ų131.590%0.89780%0.8SS**  trans-137120136.5-1700000109.7
310Q19.1Very low24.6Very low172 Ų172128.2 Ų128.280%0.80480%0.795SS**  trans-84.3139.5169.1-179.8173.616.100108.7
311N24.5Very low24.8Very low156 Ų156131.6 Ų131.683%0.83481%0.805SS**  trans176.6106.7142.7-90.3-20000111.4
312G20.6Very low24.9Very low68 Ų68133.4 Ų133.470%0.70181%0.806SS**  72.8125102.900000120.8
313V23.5Very low25.3Very low147 Ų147131.6 Ų131.689%0.89180%0.804SS**  trans102.9115.7136.2-1710000117.4
314M24.1Very low25.5Very low151 Ų151135.4 Ų135.474%0.74481%0.812SS**  trans-58.3163.5166.2-54.9166.45600112
315P28.7Very low25.9Very low127 Ų127138.4 Ų138.483%0.82582%0.816SS**  -144.616393.633.2-14.9000115.4
316S21.4Very low26.5Very low102 Ų102137.8 Ų137.871%0.71382%0.818SS**  trans-61.1151177.3-33.60000115.2
317A29.9Very low27Very low98 Ų98135.8 Ų135.881%0.8181%0.813SS**  trans-178.6119.113300000111.7
318D23.3Very low27.9Very low144 Ų144135.8 Ų135.877%0.7781%0.806SS**  trans40135.2140.7-92-23.2000125.5
319E25.3Very low28.9Very low182 Ų182135.5 Ų135.585%0.8581%0.807SS**  trans69116.7137.7-69.3-179.7147.300120.9
320G25.6Very low30.3Very low76 Ų76133.5 Ų133.578%0.78478%0.784SS**  trans159.980.4153.800000115K322G320-K322 PolarHBondContact O-N 3.25Å
321D25.9Very low32.4Very low172 Ų172127.7 Ų127.792%0.9276%0.761SS**  trans-43.3116.3164.9-80.3-52.6000112.9
322K31.5Very low34.4Very low197 Ų197126.5 Ų126.586%0.85776%0.755SS**  trans-142.3114.5148-78.7-162.1177176.80109.7G320 E324G320-K322 PolarHBondContact O-N 3.25Å; K322-E324 PolarHBondContact O-N 2.91Å
323A31.4Very low37Very low98 Ų98124.7 Ų124.781%0.8173%0.728SS**  trans-38.6115.8171.800000112.4Q325A323-Q325 PolarHBondContact O-N 3.49Å
324E34.5Very low39.3Very low195 Ų195123.3 Ų123.391%0.91172%0.721SS**  trans-69.595.8169.7-73.6-175154.800108.6K322 G326K322-E324 PolarHBondContact O-N 2.91Å; E324-G326 PolarHBondContact O-N 3.41Å
325Q33.9Very low41.8Very low182 Ų182122.5 Ų122.585%0.8573%0.725SS**  trans-59.7117.2157.2-69.8178.9-8.700106.8A323 A327A323-Q325 PolarHBondContact O-N 3.49Å; Q325-A327 PolarHBondContact O-N 3.26Å
326G34.4Very low44.4Very low78 Ų78119.2 Ų119.280%0.80470%0.7SS**  trans-46.1112.7-179.600000110.8E324E324-G326 PolarHBondContact O-N 3.41Å
327A37.4Very low47.5Very low89 Ų89123.4 Ų123.474%0.73670%0.7SS**  trans-61.2132.9-176.700000109.4Q325 M329Q325-A327 PolarHBondContact O-N 3.26Å; A327-M329 PolarHBondContact O-N 2.93Å
328P41.7Very low50.5Low84 Ų84121.6 Ų121.655%0.54568%0.678SS.*  trans-59127.2175.721.9-30.3000109.6Y330P328-Y330 HydrophobicContact CG-CE2 4.02Å; P328-Y330 WeakPolarHBondContact O-CD2 3.47Å; P328-Y330 WeakPolarHBondContact O-CE2 3.06Å; P328-Y330 PolarHBondContact O-N 3.3Å; P328-Y330 VanDerWaalsContact O-N 3.11Å
329M41.8Very low53.7Low179 Ų179119 Ų11988%0.88266%0.664SS**  trans-73.9101.4-177.6-169.3168176.500109A327A327-M329 PolarHBondContact O-N 2.93Å
330Y57.3Low57Low107 Ų107115.5 Ų115.542%0.4264%0.644SS.*  trans-78.8143.8175.7-61.4-73.1000110.4P328 E385 V386P328-Y330 HydrophobicContact CG-CE2 4.02Å; P328-Y330 WeakPolarHBondContact O-CD2 3.47Å; P328-Y330 WeakPolarHBondContact O-CE2 3.06Å; P328-Y330 PolarHBondContact O-N 3.3Å; P328-Y330 VanDerWaalsContact O-N 3.11Å; Y330-E385 HydrophobicContact CD1-CB 4.25Å; Y330-E385 HydrophobicContact CD1-CG 3.58Å; Y330-E385 WeakPolarHBondContact CD1-O 3.48Å; Y330-E385 HydrophobicContact CE1-CB 4.17Å; Y330-E385 HydrophobicContact CE1-CG 3.61Å; Y330-E385 HydrophobicContact CG-CG 4.28Å; Y330-V386 HydrophobicContact CD1-CG2 4.4Å; Y330-V386 HydrophobicContact CE1-CG2 3.96Å
331P63.8Low60.3Low50 Ų50116.2 Ų116.233%0.32563%0.626SS.*  trans-55.1148.8168.121-30.2000111L333 E385 V386P331-L333 HydrophobicContact CG-CD1 4.06Å; P331-L333 HydrophobicContact CG-CG 4.35Å; P331-L333 VanDerWaalsContact O-CD1 3.23Å; P331-L333 WeakPolarHBondContact O-CD1 3.33Å; P331-L333 WeakPolarHBondContact O-CG 3.22Å; P331-L333 PolarHBondContact O-N 3.49Å; P331-E385 VanDerWaalsContact CD-O 3.28Å; P331-E385 WeakPolarHBondContact CD-O 3.5Å; P331-V386 VanDerWaalsContact CD-O 3.24Å; P331-V386 WeakPolarHBondContact CD-O 3.5Å
332D67.2Low63.7Low131 Ų131108.2 Ų108.270%0.70158%0.583SS**  trans-67.4102.5176.1-176.83.7000110T334D332-T334 VanDerWaalsContact OD1-CB 3.3Å; D332-T334 WeakPolarHBondContact OD1-CB 3.48Å; D332-T334 WeakPolarHBondContact OD1-CG2 3.35Å; D332-T334 PolarHBondContact OD1-N 3.13Å; D332-T334 VanDerWaalsContact OD1-N 3.09Å; D332-T334 PolarHBondContact OD1-OG1 2.76Å
333L73.8Confident66.8Low29 Ų29104.3 Ų104.315%0.15256%0.563CS.*  trans-103.413.9-177.6-65.7139.1000111.5P331 T335 L336 L365 V383P331-L333 HydrophobicContact CG-CD1 4.06Å; P331-L333 HydrophobicContact CG-CG 4.35Å; P331-L333 VanDerWaalsContact O-CD1 3.23Å; P331-L333 WeakPolarHBondContact O-CD1 3.33Å; P331-L333 WeakPolarHBondContact O-CG 3.22Å; P331-L333 PolarHBondContact O-N 3.49Å; L333-T335 PolarHBondContact O-N 3.48Å; L333-L336 HydrophobicContact CB-CD1 4.08Å; L333-L336 HydrophobicContact CD2-CD1 3.33Å; L333-L336 HydrophobicContact CG-CD1 4.27Å; L333-L336 WeakPolarHBondContact O-CB 3.26Å; L333-L336 PolarHBondContact O-N 2.97Å; L333-L336 VanDerWaalsContact O-N 3.1Å; L333-L365 HydrophobicContact CB-CD1 4.33Å; L333-L365 HydrophobicContact CD1-CD1 3.9Å; L333-L365 HydrophobicContact CD2-CD1 4.17Å; L333-L365 HydrophobicContact CG-CD1 4.37Å; L333-V383 HydrophobicContact CD2-CB 4.38Å; L333-V383 HydrophobicContact CD2-CG1 3.55Å
334T71.7Confident69.9Low118 Ų11899.8 Ų99.872%0.72453%0.525SS*.THydrogen-bonded Turntrans-63.6-23.2-171520000114.8D332D332-T334 VanDerWaalsContact OD1-CB 3.3Å; D332-T334 WeakPolarHBondContact OD1-CB 3.48Å; D332-T334 WeakPolarHBondContact OD1-CG2 3.35Å; D332-T334 PolarHBondContact OD1-N 3.13Å; D332-T334 VanDerWaalsContact OD1-N 3.09Å; D332-T334 PolarHBondContact OD1-OG1 2.76Å
335T77.6Confident72.6Confident135 Ų13592.8 Ų92.883%0.82850%0.496SS*.THydrogen-bonded Turntrans-83.3-10178.455.90000113.6L333L333-T335 PolarHBondContact O-N 3.48Å
336L82.7Confident75.4Confident58 Ų5889.7 Ų89.730%0.30448%0.481SS..SBendtrans-83.5131.6-177.8-70.7167.8000111.7L333 V338 V367 V383L333-L336 HydrophobicContact CB-CD1 4.08Å; L333-L336 HydrophobicContact CD2-CD1 3.33Å; L333-L336 HydrophobicContact CG-CD1 4.27Å; L333-L336 WeakPolarHBondContact O-CB 3.26Å; L333-L336 PolarHBondContact O-N 2.97Å; L333-L336 VanDerWaalsContact O-N 3.1Å; L336-V338 VanDerWaalsContact C-N 3.32Å; L336-V338 HydrophobicContact CB-CG2 4.36Å; L336-V338 PolarHBondContact O-N 2.71Å; L336-V367 HydrophobicContact CB-CG1 4.49Å; L336-V383 HydrophobicContact CD1-CB 4.27Å; L336-V383 HydrophobicContact CD1-CG1 4.18Å; L336-V383 HydrophobicContact CD1-CG2 3.94Å
337R87.5Confident78.2Confident190 Ų19093.2 Ų93.272%0.71747%0.47SS*.  trans-7684.6170.1-171.3179.3179.5-160-0.3110.2L339 P368R337-L339 PolarHBondContact O-N 3.47Å; R337-P368 HydrophobicContact CB-CG 4.46Å; R337-P368 WeakPolarHBondContact O-CD 3.25Å
338V91.3Very high80.9Confident59 Ų5990 Ų9036%0.35844%0.439SS..  trans-73.6125.4175.7-175.90000110L336 L365L336-V338 VanDerWaalsContact C-N 3.32Å; L336-V338 HydrophobicContact CB-CG2 4.36Å; L336-V338 PolarHBondContact O-N 2.71Å; V338-L365 HydrophobicContact CG1-CB 4.07Å; V338-L365 HydrophobicContact CG1-CD2 4.35Å; V338-L365 HydrophobicContact CG2-CB 4.15Å; V338-L365 HydrophobicContact CG2-CD1 4.08Å
339L91.1Very high83.3Confident91 Ų9190 Ų9048%0.47644%0.438SS..  trans-82.3-51.2175.1-60.3179.4000111R337 V366R337-L339 PolarHBondContact O-N 3.47Å; L339-V366 PolarHBondContact N-O 2.98Å
340Y94.6Very high85.6Confident107 Ų10783 Ų8342%0.4241%0.408SS..EExtended strand (participates in β ladder)trans-164169.8176.855.2-86.1000110.2V342 V366 L380Y340-V342 HydrophobicContact CD2-CG1 3.7Å; Y340-V342 HydrophobicContact CE2-CG1 3.46Å; Y340-V342 VanDerWaalsContact CE2-CG1 3.46Å; Y340-V366 HydrophobicContact CD1-CB 4.4Å; Y340-V366 HydrophobicContact CD2-CB 4.22Å; Y340-V366 HydrophobicContact CD2-CG2 3.99Å; Y340-V366 HydrophobicContact CE1-CB 4.19Å; Y340-V366 HydrophobicContact CE1-CG1 3.91Å; Y340-V366 HydrophobicContact CE2-CB 4.03Å; Y340-V366 HydrophobicContact CE2-CG1 4.31Å; Y340-V366 HydrophobicContact CE2-CG2 3.61Å; Y340-V366 HydrophobicContact CG-CB 4.4Å; Y340-V366 WeakPolarHBondContact O-CB 3.19Å; Y340-V366 PolarHBondContact O-N 3.35Å; Y340-L380 WeakPolarHBondContact OH-CD2 3.37Å
341K95.6Very high86.9Confident92 Ų9286.1 Ų86.140%0.443%0.427SS..EExtended strand (participates in β ladder)trans-102.9143.6176.4-57.2-162.5-179.5-170.60110.6V363 L365 E385 F401K341-V363 HydrophobicContact CD-CG1 4.41Å; K341-L365 HydrophobicContact CD-CD2 3.6Å; K341-L365 VanDerWaalsContact CE-CD2 3.44Å; K341-L365 HydrophobicContact CG-CD2 3.6Å; K341-E385 IonicContact NZ-OE1 2.79Å; K341-E385 PolarHBondContact NZ-OE1 3.5Å; K341-F401 HydrophobicContact CB-CB 3.78Å; K341-F401 HydrophobicContact CB-CG 4.35Å; K341-F401 WeakPolarHBondContact O-CB 3.33Å; K341-F401 PolarHBondContact O-N 2.88Å
342V97Very high87.7Confident3 Ų387.6 Ų87.62%0.01843%0.432CS..EExtended strand (participates in β ladder)trans-127.1154.2171.4-60.10000110.7Y340 I364 V366 F393 T398 K399Y340-V342 HydrophobicContact CD2-CG1 3.7Å; Y340-V342 HydrophobicContact CE2-CG1 3.46Å; Y340-V342 VanDerWaalsContact CE2-CG1 3.46Å; V342-I364 HydrophobicContact CG2-CB 3.89Å; V342-I364 PolarHBondContact N-O 3.39Å; V342-I364 PolarHBondContact O-N 3.47Å; V342-V366 HydrophobicContact CB-CG2 4.47Å; V342-V366 HydrophobicContact CG1-CG2 3.79Å; V342-V366 HydrophobicContact CG2-CG2 3.92Å; V342-F393 HydrophobicContact CG2-CE2 4.11Å; V342-F393 HydrophobicContact CG2-CZ 3.93Å; V342-T398 HydrophobicContact CG2-CG2 3.93Å; V342-K399 CarbonylContact C-O 3.42Å; V342-K399 VanDerWaalsContact CA-O 3.27Å; V342-K399 WeakPolarHBondContact CA-O 3.31Å; V342-K399 WeakPolarHBondContact CB-O 3.4Å
343R96.9Very high88.4Confident115 Ų11584.3 Ų84.343%0.43442%0.417SS..EExtended strand (participates in β ladder)trans-110.7130.4171.6-166.7179.5-60.9-162.11.6110T345 E362 T398 K399 F401R343-T345 PolarHBondContact O-N 2.94Å; R343-E362 WeakPolarHBondContact CA-O 3.48Å; R343-T398 CarbonylContact O-C 3.57Å; R343-T398 VanDerWaalsContact O-CA 3.29Å; R343-T398 WeakPolarHBondContact O-CA 3.13Å; R343-K399 PolarHBondContact N-O 3.02Å; R343-K399 PolarHBondContact O-N 2.97Å; R343-F401 HydrophobicContact CB-CD2 4.11Å
344A95.8Very high89Confident3 Ų387.1 Ų87.13%0.02543%0.432CS..EExtended strand (participates in β ladder)trans-61.6123.7172.100000110.4F358 E359 G361 E362A344-F358 HydrophobicContact CB-CD2 3.39Å; A344-F358 HydrophobicContact CB-CE2 3.68Å; A344-F358 HydrophobicContact CB-CG 4.35Å; A344-E359 VanDerWaalsContact CB-O 3.22Å; A344-E359 WeakPolarHBondContact CB-O 3.48Å; A344-G361 WeakPolarHBondContact O-CA 3.32Å; A344-G361 PolarHBondContact O-N 2.97Å; A344-E362 PolarHBondContact N-O 2.94Å
345T92.7Very high90.1Very high49 Ų4983 Ų8330%0.30140%0.404SS..SBendtrans-91.6-26.3175.357.10000112.4R343 F397 K399R343-T345 PolarHBondContact O-N 2.94Å; T345-F397 PolarHBondContact N-O 3.48Å; T345-F397 VanDerWaalsContact OG1-C 3.3Å; T345-F397 PolarHBondContact OG1-O 3.34Å; T345-K399 HydrophobicContact CG2-CB 3.97Å; T345-K399 HydrophobicContact CG2-CD 3.78Å; T345-K399 HydrophobicContact CG2-CG 3.62Å
346H90.9Very high90.9Very high116 Ų11676.8 Ų76.854%0.53737%0.366SS..SBendtrans-135.4158.3178.2-56.286.8000108.5F397H346-F397 HydrophobicContact CB-CD1 3.83Å; H346-F397 HydrophobicContact CB-CE1 4.31Å; H346-F397 PolarHBondContact N-O 2.86Å
347R93.4Very high91.4Very high153 Ų15376.5 Ų76.558%0.57737%0.369SS*.  trans-66.2139.4168.1-176.7-177.4-158177.111.1109.5F358 E359R347-F358 CarbonylContact C-O 3.56Å; R347-F358 WeakPolarHBondContact CA-O 3.48Å; R347-F358 WeakPolarHBondContact CG-O 3.35Å; R347-E359 VanDerWaalsContact CD-OE2 3.24Å; R347-E359 WeakPolarHBondContact CD-OE2 3.46Å; R347-E359 WeakPolarHBondContact CG-OE2 3.31Å; R347-E359 IonicContact CZ-OE1 2.68Å; R347-E359 IonicContact CZ-OE2 2.68Å; R347-E359 VanDerWaalsContact NE-CD 3.28Å; R347-E359 IonicContact NE-OE1 2.69Å; R347-E359 PolarHBondContact NE-OE1 3.41Å; R347-E359 IonicContact NE-OE2 3.27Å; R347-E359 PolarHBondContact NE-OE2 3.17Å; R347-E359 VanDerWaalsContact NE-OE2 3.11Å; R347-E359 IonicContact NH2-OE1 2.67Å; R347-E359 PolarHBondContact NH2-OE1 3.48Å
348Y94.2Very high91.7Very high21 Ų2167.5 Ų67.58%0.08234%0.335CS..BIsolated β-bridgetrans-126.4134.4170.5-173.8-104.2000109.7E355 L356 S357 F358 W379 P394 F397Y348-E355 HydrophobicContact CE1-CB 4.41Å; Y348-E355 WeakPolarHBondContact CE1-OE2 3.23Å; Y348-E355 VanDerWaalsContact CZ-OE2 3.3Å; Y348-E355 VanDerWaalsContact OH-CD 3.29Å; Y348-E355 PolarHBondContact OH-OE2 3.36Å; Y348-L356 WeakPolarHBondContact CD1-O 3.38Å; Y348-S357 CarbonylContact O-C 3.6Å; Y348-S357 WeakPolarHBondContact O-CA 3.49Å; Y348-F358 VanDerWaalsContact CB-CE2 3.49Å; Y348-F358 VanDerWaalsContact CB-CZ 3.41Å; Y348-F358 HydrophobicContact CD1-CE1 4.11Å; Y348-F358 HydrophobicContact CD1-CZ 4.38Å; Y348-F358 HydrophobicContact CG-CE1 4.28Å; Y348-F358 HydrophobicContact CG-CZ 4.09Å; Y348-F358 PolarHBondContact N-O 3.31Å; Y348-F358 PolarHBondContact O-N 3.47Å; Y348-W379 VanDerWaalsContact OH-CH2 3.23Å; Y348-W379 WeakPolarHBondContact OH-CH2 3.48Å; Y348-P394 HydrophobicContact CD2-CG 3.62Å; Y348-P394 HydrophobicContact CE1-CG 4.35Å; Y348-P394 HydrophobicContact CE2-CG 3.39Å; Y348-P394 HydrophobicContact CG-CG 4.2Å; Y348-P394 VanDerWaalsContact CZ-CD 3.49Å; Y348-F397 AromaticContact CD2-CD1 3.93Å; Y348-F397 HydrophobicContact CD2-CD1 3.93Å; Y348-F397 HydrophobicContact CD2-CD2 4.29Å; Y348-F397 AromaticContact CD2-CE1 3.84Å; Y348-F397 HydrophobicContact CD2-CE1 3.84Å; Y348-F397 HydrophobicContact CD2-CE2 4.2Å; Y348-F397 HydrophobicContact CD2-CG 4.17Å; Y348-F397 AromaticContact CD2-CZ 3.98Å; Y348-F397 HydrophobicContact CD2-CZ 3.98Å; Y348-F397 HydrophobicContact CE2-CZ 4.49Å; Y348-F397 HydrophobicContact CG-CD1 4.41Å
349T91.6Very high91.8Very high83 Ų8368.6 Ų68.651%0.50934%0.336SS..  trans-115.1124.4177.1-53.20000107.5E351T349-E351 PolarHBondContact O-N 3.4Å
350A90.4Very high91.9Very high32 Ų3267.3 Ų67.326%0.26434%0.338SS..  trans-59.7128.2-178.900000111E355 S357A350-E355 WeakPolarHBondContact CA-OE2 3.21Å; A350-E355 HydrophobicContact CB-CB 3.65Å; A350-E355 WeakPolarHBondContact CB-O 3.43Å; A350-S357 WeakPolarHBondContact CB-OG 3.45Å; A350-S357 PolarHBondContact N-OG 2.89Å
351E84.6Confident91.7Very high174 Ų17464.3 Ų64.381%0.81334%0.34SS*.SBendtrans-93.7-27.8175.7-61.9-172.1178.300111.6T349 E355T349-E351 PolarHBondContact O-N 3.4Å; E351-E355 PolarHBondContact N-OE2 3.15Å
352D81.8Confident91.6Very high80 Ų8062.7 Ų62.743%0.42833%0.334SS..SBendtrans-125.5172.7172.4-148.2-17.2000112.8K132 D354 E355K132-D352 IonicContact NZ-OD1 2.84Å; K132-D352 PolarHBondContact NZ-OD1 3.33Å; D352-D354 PolarHBondContact O-N 3.05Å; D352-E355 HydrophobicContact CB-CG 4.4Å; D352-E355 PolarHBondContact O-N 2.97Å
353T81Confident91.5Very high63 Ų6363.7 Ų63.739%0.38734%0.34SS..THydrogen-bonded Turntrans-73.2-24-170.4400000115.1E355T353-E355 VanDerWaalsContact C-N 3.34Å
354D87.7Confident91.5Very high88 Ų8858.2 Ų58.247%0.47132%0.319SS..THydrogen-bonded Turntrans-84.6-11.2175.656.3-54.3000112.2D352 G391 V392D352-D354 PolarHBondContact O-N 3.05Å; D354-G391 CarbonylContact O-C 3.58Å; D354-G391 WeakPolarHBondContact O-CA 3.49Å; D354-V392 HydrophobicContact CB-CG2 4.47Å; D354-V392 PolarHBondContact O-N 3.34Å; D354-V392 WeakPolarHBondContact OD2-CG2 3.34Å
355E93.9Very high91.5Very high31 Ų3158.4 Ų58.415%0.14532%0.32CS..BIsolated β-bridgetrans-83.3146.9-177.2-60.6-174-169.400114Y348 A350 E351 D352 T353 W379 V392Y348-E355 HydrophobicContact CE1-CB 4.41Å; Y348-E355 WeakPolarHBondContact CE1-OE2 3.23Å; Y348-E355 VanDerWaalsContact CZ-OE2 3.3Å; Y348-E355 VanDerWaalsContact OH-CD 3.29Å; Y348-E355 PolarHBondContact OH-OE2 3.36Å; A350-E355 WeakPolarHBondContact CA-OE2 3.21Å; A350-E355 HydrophobicContact CB-CB 3.65Å; A350-E355 WeakPolarHBondContact CB-O 3.43Å; E351-E355 PolarHBondContact N-OE2 3.15Å; D352-E355 HydrophobicContact CB-CG 4.4Å; D352-E355 PolarHBondContact O-N 2.97Å; T353-E355 VanDerWaalsContact C-N 3.34Å; E355-W379 HydrophobicContact CG-CH2 4.45Å; E355-W379 HydrophobicContact CG-CZ3 4Å; E355-W379 WeakPolarHBondContact OE1-CH2 3.33Å; E355-V392 CarbonylContact C-O 3.53Å; E355-V392 VanDerWaalsContact CA-O 3.22Å; E355-V392 WeakPolarHBondContact CA-O 3.46Å; E355-V392 HydrophobicContact CB-CG2 4.37Å; E355-V392 HydrophobicContact CG-CG2 3.86Å
356L94.2Very high91.6Very high5 Ų556.2 Ų56.23%0.02631%0.307CS..  trans-98.4110.3-178.9-172.265.6000111.1Y348 F358 I364 K384 Q389 V392 F393Y348-L356 WeakPolarHBondContact CD1-O 3.38Å; L356-F358 HydrophobicContact CG-CD1 4.33Å; L356-F358 WeakPolarHBondContact O-CD1 3.38Å; L356-F358 WeakPolarHBondContact O-CE1 3.44Å; L356-I364 HydrophobicContact CD2-CD1 4.26Å; L356-I364 HydrophobicContact CD2-CG1 4.5Å; L356-I364 HydrophobicContact CD2-CG2 3.88Å; L356-K384 HydrophobicContact CD1-CD 4.36Å; L356-K384 HydrophobicContact CD1-CG 4.1Å; L356-K384 HydrophobicContact CD2-CG 4.14Å; L356-K384 HydrophobicContact CG-CG 4.34Å; L356-Q389 HydrophobicContact CD1-CB 3.9Å; L356-Q389 WeakPolarHBondContact CD1-O 3.46Å; L356-V392 PolarHBondContact N-O 3.06Å; L356-F393 HydrophobicContact CB-CB 4.46Å; L356-F393 HydrophobicContact CD2-CD1 4.21Å
357S93Very high91.8Very high51 Ų5151 Ų5136%0.35728%0.283SS..  trans-77.1135.6172.5-61.30000111.5Y348 A350 K384Y348-S357 CarbonylContact O-C 3.6Å; Y348-S357 WeakPolarHBondContact O-CA 3.49Å; A350-S357 WeakPolarHBondContact CB-OG 3.45Å; A350-S357 PolarHBondContact N-OG 2.89Å; S357-K384 WeakPolarHBondContact O-CE 3.39Å; S357-K384 PolarHBondContact O-NZ 2.94Å
358F94.4Very high91.8Very high2 Ų246 Ų461%0.00927%0.27CS..BIsolated β-bridgetrans-149.6157.5177.249-98.1000114.2A344 R347 Y348 L356 E362 I364 F393 F397 T398A344-F358 HydrophobicContact CB-CD2 3.39Å; A344-F358 HydrophobicContact CB-CE2 3.68Å; A344-F358 HydrophobicContact CB-CG 4.35Å; R347-F358 CarbonylContact C-O 3.56Å; R347-F358 WeakPolarHBondContact CA-O 3.48Å; R347-F358 WeakPolarHBondContact CG-O 3.35Å; Y348-F358 VanDerWaalsContact CB-CE2 3.49Å; Y348-F358 VanDerWaalsContact CB-CZ 3.41Å; Y348-F358 HydrophobicContact CD1-CE1 4.11Å; Y348-F358 HydrophobicContact CD1-CZ 4.38Å; Y348-F358 HydrophobicContact CG-CE1 4.28Å; Y348-F358 HydrophobicContact CG-CZ 4.09Å; Y348-F358 PolarHBondContact N-O 3.31Å; Y348-F358 PolarHBondContact O-N 3.47Å; L356-F358 HydrophobicContact CG-CD1 4.33Å; L356-F358 WeakPolarHBondContact O-CD1 3.38Å; L356-F358 WeakPolarHBondContact O-CE1 3.44Å; F358-E362 WeakPolarHBondContact CA-OE2 3.16Å; F358-E362 HydrophobicContact CB-CB 4.4Å; F358-E362 WeakPolarHBondContact CB-OE2 3.45Å; F358-I364 HydrophobicContact CB-CD1 4.29Å; F358-I364 HydrophobicContact CD1-CD1 3.42Å; F358-I364 VanDerWaalsContact CD1-CD1 3.42Å; F358-I364 HydrophobicContact CD2-CD1 4.23Å; F358-I364 HydrophobicContact CE1-CD1 3.64Å; F358-I364 HydrophobicContact CE2-CD1 4.4Å; F358-I364 HydrophobicContact CG-CD1 3.73Å; F358-I364 HydrophobicContact CZ-CD1 4.12Å; F358-F393 HydrophobicContact CE1-CB 3.53Å; F358-F393 AromaticContact CE1-CD2 3.98Å; F358-F393 HydrophobicContact CE1-CD2 3.98Å; F358-F393 AromaticContact CE1-CG 3.82Å; F358-F393 HydrophobicContact CE1-CG 3.82Å; F358-F393 HydrophobicContact CZ-CB 4.15Å; F358-F393 HydrophobicContact CZ-CD2 4.07Å; F358-F393 HydrophobicContact CZ-CG 4.35Å; F358-F397 HydrophobicContact CE2-CB 4.1Å; F358-F397 HydrophobicContact CZ-CB 4.03Å; F358-T398 HydrophobicContact CE2-CG2 4.37Å; F358-T398 HydrophobicContact CZ-CG2 4.14Å
359E92.6Very high91.7Very high82 Ų8246.1 Ų46.138%0.38327%0.271SS..  trans-90.8157.3173.9-63-57.7149.400112.1A344 R347 G361 E362A344-E359 VanDerWaalsContact CB-O 3.22Å; A344-E359 WeakPolarHBondContact CB-O 3.48Å; R347-E359 VanDerWaalsContact CD-OE2 3.24Å; R347-E359 WeakPolarHBondContact CD-OE2 3.46Å; R347-E359 WeakPolarHBondContact CG-OE2 3.31Å; R347-E359 IonicContact CZ-OE1 2.68Å; R347-E359 IonicContact CZ-OE2 2.68Å; R347-E359 VanDerWaalsContact NE-CD 3.28Å; R347-E359 IonicContact NE-OE1 2.69Å; R347-E359 PolarHBondContact NE-OE1 3.41Å; R347-E359 IonicContact NE-OE2 3.27Å; R347-E359 PolarHBondContact NE-OE2 3.17Å; R347-E359 VanDerWaalsContact NE-OE2 3.11Å; R347-E359 IonicContact NH2-OE1 2.67Å; R347-E359 PolarHBondContact NH2-OE1 3.48Å; E359-G361 PolarHBondContact O-N 3.38Å; E359-E362 HydrophobicContact CB-CG 4.11Å; E359-E362 PolarHBondContact N-OE2 3.45Å; E359-E362 WeakPolarHBondContact O-CB 3.44Å; E359-E362 PolarHBondContact O-N 2.9Å
360A92.9Very high91.4Very high63 Ų6348.4 Ų48.452%0.52128%0.28SS..THydrogen-bonded Turntrans-60.6130.5173.500000110.5
361G90.6Very high91Very high44 Ų4450 Ų5045%0.45428%0.284SS..THydrogen-bonded Turntrans95.7-13.3-177.500000115A344 E359A344-G361 WeakPolarHBondContact O-CA 3.32Å; A344-G361 PolarHBondContact O-N 2.97Å; E359-G361 PolarHBondContact O-N 3.38Å
362E93.8Very high91Very high58 Ų5846.3 Ų46.327%0.27128%0.275SS..  trans-64.7146.7176.3-69.5-169.5148.700112R343 A344 F358 E359 K384R343-E362 WeakPolarHBondContact CA-O 3.48Å; A344-E362 PolarHBondContact N-O 2.94Å; F358-E362 WeakPolarHBondContact CA-OE2 3.16Å; F358-E362 HydrophobicContact CB-CB 4.4Å; F358-E362 WeakPolarHBondContact CB-OE2 3.45Å; E359-E362 HydrophobicContact CB-CG 4.11Å; E359-E362 PolarHBondContact N-OE2 3.45Å; E359-E362 WeakPolarHBondContact O-CB 3.44Å; E359-E362 PolarHBondContact O-N 2.9Å; E362-K384 IonicContact OE1-NZ 3.94Å; E362-K384 WeakPolarHBondContact OE2-CE 3.49Å; E362-K384 IonicContact OE2-NZ 3.14Å; E362-K384 PolarHBondContact OE2-NZ 3.46Å
363V94.7Very high91Very high24 Ų2449.9 Ų49.915%0.14529%0.294CS..EExtended strand (participates in β ladder)trans-99.3131.1178.3-176.70000109.8K341 E385 F401K341-V363 HydrophobicContact CD-CG1 4.41Å; V363-E385 HydrophobicContact CB-CB 4.19Å; V363-E385 WeakPolarHBondContact CB-OE2 3.4Å; V363-E385 HydrophobicContact CG1-CB 4.28Å; V363-E385 WeakPolarHBondContact CG1-OE2 3.25Å; V363-E385 PolarHBondContact O-N 3.4Å; V363-F401 HydrophobicContact CG1-CD2 4.1Å; V363-F401 HydrophobicContact CG1-CE2 4.3Å; V363-F401 HydrophobicContact CG2-CD2 3.95Å; V363-F401 HydrophobicContact CG2-CE2 3.55Å
364I96.6Very high91.2Very high0 Ų053.3 Ų53.30%031%0.306CS..EExtended strand (participates in β ladder)trans-124.8128.6-178.4-52.8169.3000108.3V342 L356 F358 F393 T398V342-I364 HydrophobicContact CG2-CB 3.89Å; V342-I364 PolarHBondContact N-O 3.39Å; V342-I364 PolarHBondContact O-N 3.47Å; L356-I364 HydrophobicContact CD2-CD1 4.26Å; L356-I364 HydrophobicContact CD2-CG1 4.5Å; L356-I364 HydrophobicContact CD2-CG2 3.88Å; F358-I364 HydrophobicContact CB-CD1 4.29Å; F358-I364 HydrophobicContact CD1-CD1 3.42Å; F358-I364 VanDerWaalsContact CD1-CD1 3.42Å; F358-I364 HydrophobicContact CD2-CD1 4.23Å; F358-I364 HydrophobicContact CE1-CD1 3.64Å; F358-I364 HydrophobicContact CE2-CD1 4.4Å; F358-I364 HydrophobicContact CG-CD1 3.73Å; F358-I364 HydrophobicContact CZ-CD1 4.12Å; I364-F393 HydrophobicContact CG2-CD1 4.43Å; I364-F393 HydrophobicContact CG2-CE1 3.7Å; I364-F393 HydrophobicContact CG2-CZ 3.95Å; I364-T398 HydrophobicContact CD1-CG2 4.45Å
365L95.6Very high91.3Very high8 Ų854.3 Ų54.34%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-84.7111.4173.6-54.7-177.8000108.2L333 V338 K341 V367 G382 V383 E385L333-L365 HydrophobicContact CB-CD1 4.33Å; L333-L365 HydrophobicContact CD1-CD1 3.9Å; L333-L365 HydrophobicContact CD2-CD1 4.17Å; L333-L365 HydrophobicContact CG-CD1 4.37Å; V338-L365 HydrophobicContact CG1-CB 4.07Å; V338-L365 HydrophobicContact CG1-CD2 4.35Å; V338-L365 HydrophobicContact CG2-CB 4.15Å; V338-L365 HydrophobicContact CG2-CD1 4.08Å; K341-L365 HydrophobicContact CD-CD2 3.6Å; K341-L365 VanDerWaalsContact CE-CD2 3.44Å; K341-L365 HydrophobicContact CG-CD2 3.6Å; L365-V367 PolarHBondContact O-N 2.93Å; L365-G382 CarbonylContact O-C 3.57Å; L365-G382 WeakPolarHBondContact O-CA 3.39Å; L365-V383 PolarHBondContact N-O 3.38Å; L365-V383 PolarHBondContact O-N 2.69Å; L365-E385 HydrophobicContact CD2-CG 4.37Å; L365-E385 HydrophobicContact CG-CB 4.45Å; L365-E385 HydrophobicContact CG-CG 4.46Å
366V96.7Very high91Very high3 Ų358 Ų582%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-74.8127.4176.6-178.20000108.6L339 Y340 V342 L380 M381 F393L339-V366 PolarHBondContact N-O 2.98Å; Y340-V366 HydrophobicContact CD1-CB 4.4Å; Y340-V366 HydrophobicContact CD2-CB 4.22Å; Y340-V366 HydrophobicContact CD2-CG2 3.99Å; Y340-V366 HydrophobicContact CE1-CB 4.19Å; Y340-V366 HydrophobicContact CE1-CG1 3.91Å; Y340-V366 HydrophobicContact CE2-CB 4.03Å; Y340-V366 HydrophobicContact CE2-CG1 4.31Å; Y340-V366 HydrophobicContact CE2-CG2 3.61Å; Y340-V366 HydrophobicContact CG-CB 4.4Å; Y340-V366 WeakPolarHBondContact O-CB 3.19Å; Y340-V366 PolarHBondContact O-N 3.35Å; V342-V366 HydrophobicContact CB-CG2 4.47Å; V342-V366 HydrophobicContact CG1-CG2 3.79Å; V342-V366 HydrophobicContact CG2-CG2 3.92Å; V366-L380 HydrophobicContact CG1-CB 4.43Å; V366-L380 HydrophobicContact CG1-CD2 4.39Å; V366-L380 HydrophobicContact CG2-CD1 4.26Å; V366-M381 WeakPolarHBondContact CA-O 3.42Å; V366-F393 HydrophobicContact CG2-CZ 4.12Å
367V95Very high90.8Very high7 Ų766 Ų664%0.04237%0.371CS..  trans-122.8158.7-179.6-610000108.8L336 L365 M381 V383L336-V367 HydrophobicContact CB-CG1 4.49Å; L365-V367 PolarHBondContact O-N 2.93Å; V367-M381 HydrophobicContact CG2-CB 4.37Å; V367-M381 HydrophobicContact CG2-CG 3.67Å; V367-M381 PolarHBondContact N-O 3.11Å; V367-M381 VanDerWaalsContact O-O 3.11Å; V367-V383 HydrophobicContact CG1-CG2 4.2Å; V367-V383 HydrophobicContact CG2-CG2 4.22Å
368P92.4Very high90.8Very high48 Ų4866 Ų6631%0.31238%0.379SS..  trans-63.3152.9171.228.5-34.8000110.6R337R337-P368 HydrophobicContact CB-CG 4.46Å; R337-P368 WeakPolarHBondContact O-CD 3.25Å
369Y92.2Very high90.9Very high22 Ų2269.2 Ų69.29%0.08639%0.391CS..  trans-62.3149.2167.1-76.6-104.9000110.3D371 Q375 W379 L380 M381 V392Y369-D371 WeakPolarHBondContact CB-O 3.38Å; Y369-Q375 HydrophobicContact CD1-CB 4.27Å; Y369-Q375 HydrophobicContact CD2-CB 3.81Å; Y369-Q375 HydrophobicContact CD2-CG 3.76Å; Y369-Q375 HydrophobicContact CE1-CB 4.35Å; Y369-Q375 HydrophobicContact CE2-CB 3.9Å; Y369-Q375 HydrophobicContact CE2-CG 3.48Å; Y369-Q375 VanDerWaalsContact CE2-CG 3.48Å; Y369-Q375 HydrophobicContact CG-CB 4.01Å; Y369-Q375 HydrophobicContact CG-CG 4.46Å; Y369-W379 WeakPolarHBondContact OH-CB 3.5Å; Y369-W379 PolarHBondContact OH-O 3.46Å; Y369-L380 PolarHBondContact OH-N 2.9Å; Y369-M381 HydrophobicContact CD1-CB 4.18Å; Y369-M381 HydrophobicContact CD1-CE 3.84Å; Y369-M381 HydrophobicContact CD2-CB 3.77Å; Y369-M381 HydrophobicContact CE1-CB 4.19Å; Y369-M381 HydrophobicContact CE1-CE 4Å; Y369-M381 HydrophobicContact CE2-CB 3.77Å; Y369-M381 HydrophobicContact CG-CB 3.98Å; Y369-V392 HydrophobicContact CD1-CG1 4.48Å; Y369-V392 HydrophobicContact CE1-CG1 3.53Å
370D85.3Confident91.1Very high131 Ų13166.5 Ų66.570%0.70138%0.38SS*.SBendtrans-70.8-39.3176.5-65-29.2000110.7K390D370-K390 IonicContact OD1-NZ 3.23Å; D370-K390 PolarHBondContact OD1-NZ 2.94Å; D370-K390 IonicContact OD2-NZ 2.67Å; D370-K390 PolarHBondContact OD2-NZ 3.27Å
371D82.3Confident91.2Very high65 Ų6564.5 Ų64.535%0.34836%0.36SS..SBendtrans-115.1116.8166.8-168.2-17.5000110Y369 D373 E374Y369-D371 WeakPolarHBondContact CB-O 3.38Å; D371-D373 PolarHBondContact O-N 3.42Å; D371-D373 PolarHBondContact OD1-N 3.49Å; D371-E374 HydrophobicContact CB-CG 4.04Å; D371-E374 PolarHBondContact O-N 2.99Å
372P83.5Confident91.5Very high98 Ų9862.4 Ų62.464%0.63634%0.338SS*.G310 helixtrans-58.7-25.1175.7-23.934.1000114.6E374 Q375P372-E374 PolarHBondContact O-N 3.36Å; P372-Q375 PolarHBondContact O-N 3.37Å
373D83.3Confident91.6Very high155 Ų15559.9 Ų59.983%0.82933%0.326SS*.G310 helixtrans-75.3-12.5-179.1-70.5-24.8000112.7D371D371-D373 PolarHBondContact O-N 3.42Å; D371-D373 PolarHBondContact OD1-N 3.49Å
374E84.9Confident91.5Very high134 Ų13459.6 Ų59.663%0.62632%0.323SS*.G310 helixtrans-92.1-1.3176.5-64.3-175163.400113.2D371 P372 D376D371-E374 HydrophobicContact CB-CG 4.04Å; D371-E374 PolarHBondContact O-N 2.99Å; P372-E374 PolarHBondContact O-N 3.36Å; E374-D376 PolarHBondContact O-N 2.94Å
375Q89Confident91.1Very high109 Ų10960.7 Ų60.751%0.50933%0.328SS..  trans-78.5109.5-177.2180170.30.600112.1Y369 P372Y369-Q375 HydrophobicContact CD1-CB 4.27Å; Y369-Q375 HydrophobicContact CD2-CB 3.81Å; Y369-Q375 HydrophobicContact CD2-CG 3.76Å; Y369-Q375 HydrophobicContact CE1-CB 4.35Å; Y369-Q375 HydrophobicContact CE2-CB 3.9Å; Y369-Q375 HydrophobicContact CE2-CG 3.48Å; Y369-Q375 VanDerWaalsContact CE2-CG 3.48Å; Y369-Q375 HydrophobicContact CG-CB 4.01Å; Y369-Q375 HydrophobicContact CG-CG 4.46Å; P372-Q375 PolarHBondContact O-N 3.37Å
376D88.7Confident90.7Very high110 Ų11064.6 Ų64.659%0.58835%0.352SS*.  trans-82.2143.3172.8-78.1-22.9000113.1E374 G378 W379E374-D376 PolarHBondContact O-N 2.94Å; D376-G378 PolarHBondContact O-N 2.95Å; D376-W379 HydrophobicContact CB-CB 4.26Å; D376-W379 HydrophobicContact CB-CG 4.23Å; D376-W379 PolarHBondContact O-N 3.5Å
377D89.5Confident90.2Very high172 Ų17266.2 Ų66.292%0.9236%0.362SS*.THydrogen-bonded Turntrans-60.3123.7176.9-90.4-16.2000111.2
378G93.6Very high89.8Confident51 Ų5167.4 Ų67.453%0.52638%0.376SS..THydrogen-bonded Turntrans86.90.1-178.500000114.8D376 A395D376-G378 PolarHBondContact O-N 2.95Å; G378-A395 VanDerWaalsContact O-CB 3.28Å; G378-A395 WeakPolarHBondContact O-CB 3.39Å; G378-A395 PolarHBondContact O-N 3.4Å
379W96.2Very high89.6Confident69 Ų6968.2 Ų68.226%0.26138%0.376SS..EExtended strand (participates in β ladder)trans-108.4139175-68.182.1000111.6Y348 E355 Y369 D376 V392 F393Y348-W379 VanDerWaalsContact OH-CH2 3.23Å; Y348-W379 WeakPolarHBondContact OH-CH2 3.48Å; E355-W379 HydrophobicContact CG-CH2 4.45Å; E355-W379 HydrophobicContact CG-CZ3 4Å; E355-W379 WeakPolarHBondContact OE1-CH2 3.33Å; Y369-W379 WeakPolarHBondContact OH-CB 3.5Å; Y369-W379 PolarHBondContact OH-O 3.46Å; D376-W379 HydrophobicContact CB-CB 4.26Å; D376-W379 HydrophobicContact CB-CG 4.23Å; D376-W379 PolarHBondContact O-N 3.5Å; W379-V392 HydrophobicContact CE3-CB 4.27Å; W379-V392 HydrophobicContact CE3-CG2 4.05Å; W379-V392 HydrophobicContact CZ3-CG2 4.28Å; W379-F393 WeakPolarHBondContact CA-O 3.34Å
380L96Very high89.7Confident26 Ų2671.3 Ų71.314%0.13639%0.389CS..EExtended strand (participates in β ladder)trans-117.1141.8178.6-63.9175.8000109.9Y340 V366 Y369 V392 F393 A395Y340-L380 WeakPolarHBondContact OH-CD2 3.37Å; V366-L380 HydrophobicContact CG1-CB 4.43Å; V366-L380 HydrophobicContact CG1-CD2 4.39Å; V366-L380 HydrophobicContact CG2-CD1 4.26Å; Y369-L380 PolarHBondContact OH-N 2.9Å; L380-V392 CarbonylContact O-C 3.47Å; L380-V392 VanDerWaalsContact O-CA 3.24Å; L380-V392 WeakPolarHBondContact O-CA 3.48Å; L380-F393 HydrophobicContact CB-CD1 4.41Å; L380-F393 HydrophobicContact CB-CE1 3.84Å; L380-F393 HydrophobicContact CB-CE2 3.98Å; L380-F393 HydrophobicContact CB-CZ 3.62Å; L380-F393 HydrophobicContact CD1-CE2 4.02Å; L380-F393 HydrophobicContact CD1-CZ 4.04Å; L380-F393 HydrophobicContact CG-CZ 4.47Å; L380-F393 PolarHBondContact N-O 2.88Å; L380-F393 WeakPolarHBondContact O-CD1 3.34Å; L380-F393 WeakPolarHBondContact O-CE1 3.32Å; L380-F393 PolarHBondContact O-N 3.06Å; L380-A395 HydrophobicContact CD1-CB 3.8Å; L380-A395 HydrophobicContact CG-CB 3.89Å
381M96.3Very high90.1Very high21 Ų2165.2 Ų65.210%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-86.1132.8166.2-177.86370.900109V366 V367 Y369 K390 G391 V392V366-M381 WeakPolarHBondContact CA-O 3.42Å; V367-M381 HydrophobicContact CG2-CB 4.37Å; V367-M381 HydrophobicContact CG2-CG 3.67Å; V367-M381 PolarHBondContact N-O 3.11Å; V367-M381 VanDerWaalsContact O-O 3.11Å; Y369-M381 HydrophobicContact CD1-CB 4.18Å; Y369-M381 HydrophobicContact CD1-CE 3.84Å; Y369-M381 HydrophobicContact CD2-CB 3.77Å; Y369-M381 HydrophobicContact CE1-CB 4.19Å; Y369-M381 HydrophobicContact CE1-CE 4Å; Y369-M381 HydrophobicContact CE2-CB 3.77Å; Y369-M381 HydrophobicContact CG-CB 3.98Å; M381-K390 HydrophobicContact SD-CD 4.4Å; M381-K390 HydrophobicContact SD-CG 3.84Å; M381-G391 VanDerWaalsContact SD-C 3.51Å; M381-V392 HydrophobicContact CE-CG1 3.38Å; M381-V392 HydrophobicContact SD-CG1 4.14Å
382G95.8Very high90.8Very high0 Ų062.7 Ų62.70%035%0.345CS..EExtended strand (participates in β ladder)trans-154.1167.617700000114.7L365 K390 G391L365-G382 CarbonylContact O-C 3.57Å; L365-G382 WeakPolarHBondContact O-CA 3.39Å; G382-K390 CarbonylContact O-C 3.43Å; G382-K390 VanDerWaalsContact O-CA 3.27Å; G382-K390 WeakPolarHBondContact O-CA 3.31Å; G382-G391 PolarHBondContact N-O 3.29Å; G382-G391 PolarHBondContact O-N 2.98Å
383V95.3Very high91.4Very high4 Ų458 Ų582%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-121.5124.4179.2-174.50000108.7L333 L336 L365 V367 E385 G388 Q389 K390L333-V383 HydrophobicContact CD2-CB 4.38Å; L333-V383 HydrophobicContact CD2-CG1 3.55Å; L336-V383 HydrophobicContact CD1-CB 4.27Å; L336-V383 HydrophobicContact CD1-CG1 4.18Å; L336-V383 HydrophobicContact CD1-CG2 3.94Å; L365-V383 PolarHBondContact N-O 3.38Å; L365-V383 PolarHBondContact O-N 2.69Å; V367-V383 HydrophobicContact CG1-CG2 4.2Å; V367-V383 HydrophobicContact CG2-CG2 4.22Å; V383-E385 PolarHBondContact O-N 2.95Å; V383-G388 VanDerWaalsContact CG1-C 3.49Å; V383-G388 WeakPolarHBondContact CG1-O 3.28Å; V383-Q389 CarbonylContact C-O 3.52Å; V383-Q389 VanDerWaalsContact CA-O 3.26Å; V383-Q389 WeakPolarHBondContact CA-O 3.35Å; V383-K390 HydrophobicContact CG2-CB 3.93Å; V383-K390 HydrophobicContact CG2-CD 4.39Å; V383-K390 HydrophobicContact CG2-CG 3.89Å
384K94.2Very high92Very high19 Ų1951.1 Ų51.18%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-59.1127.8172.3-83.9-174.1176.8-160.50110.1L356 S357 E362 V386 T387 G388 Q389L356-K384 HydrophobicContact CD1-CD 4.36Å; L356-K384 HydrophobicContact CD1-CG 4.1Å; L356-K384 HydrophobicContact CD2-CG 4.14Å; L356-K384 HydrophobicContact CG-CG 4.34Å; S357-K384 WeakPolarHBondContact O-CE 3.39Å; S357-K384 PolarHBondContact O-NZ 2.94Å; E362-K384 IonicContact OE1-NZ 3.94Å; E362-K384 WeakPolarHBondContact OE2-CE 3.49Å; E362-K384 IonicContact OE2-NZ 3.14Å; E362-K384 PolarHBondContact OE2-NZ 3.46Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.37Å; K384-T387 WeakPolarHBondContact CB-OG1 3.29Å; K384-T387 HydrophobicContact CD-CG2 4.37Å; K384-T387 VanDerWaalsContact CD-OG1 3.23Å; K384-T387 WeakPolarHBondContact CD-OG1 3.38Å; K384-G388 WeakPolarHBondContact O-CA 3.46Å; K384-G388 PolarHBondContact O-N 2.95Å; K384-Q389 PolarHBondContact N-O 3.47Å
385E88.4Confident92.5Very high23 Ų2346.3 Ų46.311%0.10726%0.261CS..THydrogen-bonded Turntrans-61.4-40.8-177.9-161.3177.3-138.600111.1Y330 P331 K341 V363 L365 V383Y330-E385 HydrophobicContact CD1-CB 4.25Å; Y330-E385 HydrophobicContact CD1-CG 3.58Å; Y330-E385 WeakPolarHBondContact CD1-O 3.48Å; Y330-E385 HydrophobicContact CE1-CB 4.17Å; Y330-E385 HydrophobicContact CE1-CG 3.61Å; Y330-E385 HydrophobicContact CG-CG 4.28Å; P331-E385 VanDerWaalsContact CD-O 3.28Å; P331-E385 WeakPolarHBondContact CD-O 3.5Å; K341-E385 IonicContact NZ-OE1 2.79Å; K341-E385 PolarHBondContact NZ-OE1 3.5Å; V363-E385 HydrophobicContact CB-CB 4.19Å; V363-E385 WeakPolarHBondContact CB-OE2 3.4Å; V363-E385 HydrophobicContact CG1-CB 4.28Å; V363-E385 WeakPolarHBondContact CG1-OE2 3.25Å; V363-E385 PolarHBondContact O-N 3.4Å; L365-E385 HydrophobicContact CD2-CG 4.37Å; L365-E385 HydrophobicContact CG-CB 4.45Å; L365-E385 HydrophobicContact CG-CG 4.46Å; V383-E385 PolarHBondContact O-N 2.95Å
386V85.4Confident92.8Very high90 Ų9047 Ų4755%0.54527%0.268SS..THydrogen-bonded Turntrans-78.5-43.1-175.9-179.40000113Y330 P331 K384Y330-V386 HydrophobicContact CD1-CG2 4.4Å; Y330-V386 HydrophobicContact CE1-CG2 3.96Å; P331-V386 VanDerWaalsContact CD-O 3.24Å; P331-V386 WeakPolarHBondContact CD-O 3.5Å; K384-V386 VanDerWaalsContact C-N 3.28Å; K384-V386 PolarHBondContact O-N 3.37Å
387T86.9Confident93.1Very high37 Ų3744.6 Ų44.623%0.22725%0.253CS..THydrogen-bonded Turntrans-99.9-15.1-171.564.70000113.8K384 Q389K384-T387 WeakPolarHBondContact CB-OG1 3.29Å; K384-T387 HydrophobicContact CD-CG2 4.37Å; K384-T387 VanDerWaalsContact CD-OG1 3.23Å; K384-T387 WeakPolarHBondContact CD-OG1 3.38Å; T387-Q389 PolarHBondContact O-N 3.43Å; T387-Q389 WeakPolarHBondContact OG1-CB 3.46Å; T387-Q389 WeakPolarHBondContact OG1-CG 3.38Å; T387-Q389 PolarHBondContact OG1-N 3.39Å; T387-Q389 PolarHBondContact OG1-OE1 3.5Å
388G87.4Confident93.4Very high32 Ų3237.1 Ų37.133%0.3321%0.213SC..  trans69.66.2-17300000114V383 K384 K390V383-G388 VanDerWaalsContact CG1-C 3.49Å; V383-G388 WeakPolarHBondContact CG1-O 3.28Å; K384-G388 WeakPolarHBondContact O-CA 3.46Å; K384-G388 PolarHBondContact O-N 2.95Å; G388-K390 PolarHBondContact O-N 3.35Å
389Q88.4Confident93.4Very high65 Ų6541.3 Ų41.330%0.30422%0.217SC..  trans-70126.8178.9-72171.6-14.300110.4L356 V383 K384 T387L356-Q389 HydrophobicContact CD1-CB 3.9Å; L356-Q389 WeakPolarHBondContact CD1-O 3.46Å; V383-Q389 CarbonylContact C-O 3.52Å; V383-Q389 VanDerWaalsContact CA-O 3.26Å; V383-Q389 WeakPolarHBondContact CA-O 3.35Å; K384-Q389 PolarHBondContact N-O 3.47Å; T387-Q389 PolarHBondContact O-N 3.43Å; T387-Q389 WeakPolarHBondContact OG1-CB 3.46Å; T387-Q389 WeakPolarHBondContact OG1-CG 3.38Å; T387-Q389 PolarHBondContact OG1-N 3.39Å; T387-Q389 PolarHBondContact OG1-OE1 3.5Å
390K92.6Very high93.1Very high86 Ų8643.1 Ų43.137%0.37424%0.238SC..EExtended strand (participates in β ladder)trans-99.6140.7177.5-173.4178.5-178.1-172.90110.5D370 M381 G382 V383 G388D370-K390 IonicContact OD1-NZ 3.23Å; D370-K390 PolarHBondContact OD1-NZ 2.94Å; D370-K390 IonicContact OD2-NZ 2.67Å; D370-K390 PolarHBondContact OD2-NZ 3.27Å; M381-K390 HydrophobicContact SD-CD 4.4Å; M381-K390 HydrophobicContact SD-CG 3.84Å; G382-K390 CarbonylContact O-C 3.43Å; G382-K390 VanDerWaalsContact O-CA 3.27Å; G382-K390 WeakPolarHBondContact O-CA 3.31Å; V383-K390 HydrophobicContact CG2-CB 3.93Å; V383-K390 HydrophobicContact CG2-CD 4.39Å; V383-K390 HydrophobicContact CG2-CG 3.89Å; G388-K390 PolarHBondContact O-N 3.35Å
391G95.3Very high92.4Very high4 Ų448.6 Ų48.64%0.04126%0.261CS..EExtended strand (participates in β ladder)trans179.7171.417100000112.7D354 M381 G382D354-G391 CarbonylContact O-C 3.58Å; D354-G391 WeakPolarHBondContact O-CA 3.49Å; M381-G391 VanDerWaalsContact SD-C 3.51Å; G382-G391 PolarHBondContact N-O 3.29Å; G382-G391 PolarHBondContact O-N 2.98Å
392V95.9Very high92.2Very high12 Ų1250 Ų507%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-81.5150.2175.3-58.40000111.3D354 E355 L356 Y369 W379 L380 M381D354-V392 HydrophobicContact CB-CG2 4.47Å; D354-V392 PolarHBondContact O-N 3.34Å; D354-V392 WeakPolarHBondContact OD2-CG2 3.34Å; E355-V392 CarbonylContact C-O 3.53Å; E355-V392 VanDerWaalsContact CA-O 3.22Å; E355-V392 WeakPolarHBondContact CA-O 3.46Å; E355-V392 HydrophobicContact CB-CG2 4.37Å; E355-V392 HydrophobicContact CG-CG2 3.86Å; L356-V392 PolarHBondContact N-O 3.06Å; Y369-V392 HydrophobicContact CD1-CG1 4.48Å; Y369-V392 HydrophobicContact CE1-CG1 3.53Å; W379-V392 HydrophobicContact CE3-CB 4.27Å; W379-V392 HydrophobicContact CE3-CG2 4.05Å; W379-V392 HydrophobicContact CZ3-CG2 4.28Å; L380-V392 CarbonylContact O-C 3.47Å; L380-V392 VanDerWaalsContact O-CA 3.24Å; L380-V392 WeakPolarHBondContact O-CA 3.48Å; M381-V392 HydrophobicContact CE-CG1 3.38Å; M381-V392 HydrophobicContact SD-CG1 4.14Å
393F96.6Very high92.1Very high0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-154.5154.3175.863.1-83000112.4V342 L356 F358 I364 V366 W379 L380 A395 T398V342-F393 HydrophobicContact CG2-CE2 4.11Å; V342-F393 HydrophobicContact CG2-CZ 3.93Å; L356-F393 HydrophobicContact CB-CB 4.46Å; L356-F393 HydrophobicContact CD2-CD1 4.21Å; F358-F393 HydrophobicContact CE1-CB 3.53Å; F358-F393 AromaticContact CE1-CD2 3.98Å; F358-F393 HydrophobicContact CE1-CD2 3.98Å; F358-F393 AromaticContact CE1-CG 3.82Å; F358-F393 HydrophobicContact CE1-CG 3.82Å; F358-F393 HydrophobicContact CZ-CB 4.15Å; F358-F393 HydrophobicContact CZ-CD2 4.07Å; F358-F393 HydrophobicContact CZ-CG 4.35Å; I364-F393 HydrophobicContact CG2-CD1 4.43Å; I364-F393 HydrophobicContact CG2-CE1 3.7Å; I364-F393 HydrophobicContact CG2-CZ 3.95Å; V366-F393 HydrophobicContact CG2-CZ 4.12Å; W379-F393 WeakPolarHBondContact CA-O 3.34Å; L380-F393 HydrophobicContact CB-CD1 4.41Å; L380-F393 HydrophobicContact CB-CE1 3.84Å; L380-F393 HydrophobicContact CB-CE2 3.98Å; L380-F393 HydrophobicContact CB-CZ 3.62Å; L380-F393 HydrophobicContact CD1-CE2 4.02Å; L380-F393 HydrophobicContact CD1-CZ 4.04Å; L380-F393 HydrophobicContact CG-CZ 4.47Å; L380-F393 PolarHBondContact N-O 2.88Å; L380-F393 WeakPolarHBondContact O-CD1 3.34Å; L380-F393 WeakPolarHBondContact O-CE1 3.32Å; L380-F393 PolarHBondContact O-N 3.06Å; F393-A395 PolarHBondContact O-N 3.3Å; F393-T398 HydrophobicContact CD2-CG2 3.84Å; F393-T398 HydrophobicContact CE2-CG2 3.49Å; F393-T398 VanDerWaalsContact CE2-CG2 3.49Å
394P95.9Very high91.9Very high10 Ų1055.3 Ų55.37%0.06530%0.297CS..EExtended strand (participates in β ladder)trans-72.1125.9-179.630-37.2000111.3Y348 N396 F397Y348-P394 HydrophobicContact CD2-CG 3.62Å; Y348-P394 HydrophobicContact CE1-CG 4.35Å; Y348-P394 HydrophobicContact CE2-CG 3.39Å; Y348-P394 HydrophobicContact CG-CG 4.2Å; Y348-P394 VanDerWaalsContact CZ-CD 3.49Å; P394-N396 WeakPolarHBondContact CB-OD1 3.26Å; P394-N396 PolarHBondContact O-N 3.45Å; P394-F397 HydrophobicContact CB-CD2 3.88Å; P394-F397 HydrophobicContact CB-CE2 4.29Å; P394-F397 HydrophobicContact CG-CB 4.41Å; P394-F397 HydrophobicContact CG-CD2 3.35Å; P394-F397 HydrophobicContact CG-CE2 3.77Å; P394-F397 HydrophobicContact CG-CG 4.02Å; P394-F397 PolarHBondContact O-N 2.7Å; P394-F397 VanDerWaalsContact O-N 3.14Å
395A94.7Very high91.7Very high32 Ų3257.5 Ų57.526%0.26431%0.31SS..G310 helixtrans-58.8-35.2-173.600000112.8G378 L380 F393 F397 T398G378-A395 VanDerWaalsContact O-CB 3.28Å; G378-A395 WeakPolarHBondContact O-CB 3.39Å; G378-A395 PolarHBondContact O-N 3.4Å; L380-A395 HydrophobicContact CD1-CB 3.8Å; L380-A395 HydrophobicContact CG-CB 3.89Å; F393-A395 PolarHBondContact O-N 3.3Å; A395-F397 PolarHBondContact O-N 3.3Å; A395-T398 PolarHBondContact O-N 3.48Å; A395-T398 PolarHBondContact O-OG1 2.89Å
396N95.1Very high91.9Very high124 Ų12459.6 Ų59.666%0.66332%0.322SS*.G310 helixtrans-68.5-12.2-17865-27.5000114.3P394P394-N396 WeakPolarHBondContact CB-OD1 3.26Å; P394-N396 PolarHBondContact O-N 3.45Å
397F96Very high92.4Very high60 Ų6057.6 Ų57.626%0.26331%0.308SS..G310 helixtrans-81.5-6172-78.2-110.2000112.4T345 H346 Y348 F358 P394 A395T345-F397 PolarHBondContact N-O 3.48Å; T345-F397 VanDerWaalsContact OG1-C 3.3Å; T345-F397 PolarHBondContact OG1-O 3.34Å; H346-F397 HydrophobicContact CB-CD1 3.83Å; H346-F397 HydrophobicContact CB-CE1 4.31Å; H346-F397 PolarHBondContact N-O 2.86Å; Y348-F397 AromaticContact CD2-CD1 3.93Å; Y348-F397 HydrophobicContact CD2-CD1 3.93Å; Y348-F397 HydrophobicContact CD2-CD2 4.29Å; Y348-F397 AromaticContact CD2-CE1 3.84Å; Y348-F397 HydrophobicContact CD2-CE1 3.84Å; Y348-F397 HydrophobicContact CD2-CE2 4.2Å; Y348-F397 HydrophobicContact CD2-CG 4.17Å; Y348-F397 AromaticContact CD2-CZ 3.98Å; Y348-F397 HydrophobicContact CD2-CZ 3.98Å; Y348-F397 HydrophobicContact CE2-CZ 4.49Å; Y348-F397 HydrophobicContact CG-CD1 4.41Å; F358-F397 HydrophobicContact CE2-CB 4.1Å; F358-F397 HydrophobicContact CZ-CB 4.03Å; P394-F397 HydrophobicContact CB-CD2 3.88Å; P394-F397 HydrophobicContact CB-CE2 4.29Å; P394-F397 HydrophobicContact CG-CB 4.41Å; P394-F397 HydrophobicContact CG-CD2 3.35Å; P394-F397 HydrophobicContact CG-CE2 3.77Å; P394-F397 HydrophobicContact CG-CG 4.02Å; P394-F397 PolarHBondContact O-N 2.7Å; P394-F397 VanDerWaalsContact O-N 3.14Å; A395-F397 PolarHBondContact O-N 3.3Å
398T96.1Very high92.8Very high15 Ų1559.1 Ų59.19%0.09231%0.313CS..EExtended strand (participates in β ladder)trans-125.9161.3-175.470.60000112.1V342 R343 F358 I364 F393 A395V342-T398 HydrophobicContact CG2-CG2 3.93Å; R343-T398 CarbonylContact O-C 3.57Å; R343-T398 VanDerWaalsContact O-CA 3.29Å; R343-T398 WeakPolarHBondContact O-CA 3.13Å; F358-T398 HydrophobicContact CE2-CG2 4.37Å; F358-T398 HydrophobicContact CZ-CG2 4.14Å; I364-T398 HydrophobicContact CD1-CG2 4.45Å; F393-T398 HydrophobicContact CD2-CG2 3.84Å; F393-T398 HydrophobicContact CE2-CG2 3.49Å; F393-T398 VanDerWaalsContact CE2-CG2 3.49Å; A395-T398 PolarHBondContact O-N 3.48Å; A395-T398 PolarHBondContact O-OG1 2.89Å
399K93.4Very high93.2Very high139 Ų13961.2 Ų61.260%0.60431%0.312SS*.EExtended strand (participates in β ladder)trans-124149.4166.8-79.9179.9-178.8-1780109.4V342 R343 T345 F401V342-K399 CarbonylContact C-O 3.42Å; V342-K399 VanDerWaalsContact CA-O 3.27Å; V342-K399 WeakPolarHBondContact CA-O 3.31Å; V342-K399 WeakPolarHBondContact CB-O 3.4Å; R343-K399 PolarHBondContact N-O 3.02Å; R343-K399 PolarHBondContact O-N 2.97Å; T345-K399 HydrophobicContact CG2-CB 3.97Å; T345-K399 HydrophobicContact CG2-CD 3.78Å; T345-K399 HydrophobicContact CG2-CG 3.62Å; K399-F401 PolarHBondContact O-N 3.14Å
400P90.1Very high93.6Very high107 Ų10760.8 Ų60.870%0.69531%0.313SS*.EExtended strand (participates in β ladder)trans-48.3132.8167.3-24.934.3000109.8
401F81.5Confident93.7Very high141 Ų14158.5 Ų58.562%0.61831%0.307SS*.  trans-66.60-175.2-175.1-82.9000112.3K341 R343 V363 K399K341-F401 HydrophobicContact CB-CB 3.78Å; K341-F401 HydrophobicContact CB-CG 4.35Å; K341-F401 WeakPolarHBondContact O-CB 3.33Å; K341-F401 PolarHBondContact O-N 2.88Å; R343-F401 HydrophobicContact CB-CD2 4.11Å; V363-F401 HydrophobicContact CG1-CD2 4.1Å; V363-F401 HydrophobicContact CG1-CE2 4.3Å; V363-F401 HydrophobicContact CG2-CD2 3.95Å; V363-F401 HydrophobicContact CG2-CE2 3.55Å; K399-F401 PolarHBondContact O-N 3.14Å

Retrieved 401 of 401 residues in 78.2 ms (Link to these results)

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