A0A077ZE12_TRITR Loading...

DUF2215 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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
1M38.3Very low33.3Very low243 Ų243142.8 Ų142.8100%1.19779%0.793SS**  089.10-78.1171.9157.600108.5K3M1-K3 PolarHBondContact O-N 3.12Å
2S37.5Very low33.8Very low113 Ų113135.8 Ų135.879%0.7978%0.778SS**  trans-71.9114.7175.250.60000108V4S2-V4 PolarHBondContact O-N 3.36Å
3K35.3Very low34Very low210 Ų210137.6 Ų137.691%0.91378%0.782SS**  trans-64.6101.1171.6-78.6-179.9174.9178.20107.1M1 G5M1-K3 PolarHBondContact O-N 3.12Å; K3-G5 VanDerWaalsContact C-N 3.33Å; K3-G5 PolarHBondContact O-N 2.98Å
4V35.3Very low35.1Very low120 Ų120131 Ų13173%0.72775%0.746SS**  trans-56.9102165.41770000105.7S2S2-V4 PolarHBondContact O-N 3.36Å
5G30.9Very low36.1Very low55 Ų55127.9 Ų127.957%0.56773%0.726SS**  trans-54.3136.5169.800000107.7K3 S7K3-G5 VanDerWaalsContact C-N 3.33Å; K3-G5 PolarHBondContact O-N 2.98Å; G5-S7 PolarHBondContact O-N 3.25Å
6P31.3Very low37.4Very low103 Ų103127.5 Ų127.567%0.66973%0.73SS**  trans-66.8113.9-164.333-36.9000107.3I8P6-I8 HydrophobicContact CB-CD1 3.88Å; P6-I8 HydrophobicContact CB-CG1 3.69Å; P6-I8 HydrophobicContact CG-CD1 3.84Å; P6-I8 HydrophobicContact CG-CG1 4.1Å; P6-I8 PolarHBondContact O-N 3.16Å
7S28.9Very low39.1Very low111 Ų111123.9 Ų123.978%0.77671%0.714SS**  trans-66.265.3168.139.30000108.5G5 F9G5-S7 PolarHBondContact O-N 3.25Å; S7-F9 VanDerWaalsContact C-N 3.3Å; S7-F9 PolarHBondContact O-N 3.16Å
8I32.4Very low41Very low130 Ų130117.6 Ų117.667%0.66768%0.678SS**  trans-7790.3178.4-60.3178000106.4P6P6-I8 HydrophobicContact CB-CD1 3.88Å; P6-I8 HydrophobicContact CB-CG1 3.69Å; P6-I8 HydrophobicContact CG-CD1 3.84Å; P6-I8 HydrophobicContact CG-CG1 4.1Å; P6-I8 PolarHBondContact O-N 3.16Å
9F31.7Very low43.1Very low167 Ų167115.5 Ų115.573%0.73266%0.664SS**  trans55.483.3151.6-63.7-82.9000116.9S7 N11S7-F9 VanDerWaalsContact C-N 3.3Å; S7-F9 PolarHBondContact O-N 3.16Å; F9-N11 PolarHBondContact O-N 3.32Å
10L32.3Very low45.2Very low175 Ų175112.8 Ų112.892%0.91665%0.649SS**  trans-65.926.4153.8-95.9158.6000113.8
11N33.1Very low47Very low144 Ų144108 Ų10877%0.7762%0.621SS**  trans-98.98.7-175.4-85.13.6000114.9F9F9-N11 PolarHBondContact O-N 3.32Å
12G39Very low49.2Very low59 Ų5998.5 Ų98.561%0.60858%0.577SS**  trans-94.188.4161.200000108.6V14G12-V14 PolarHBondContact O-N 2.95Å
13L35.7Very low51.4Low159 Ų15997.1 Ų97.183%0.83256%0.564SS**  trans-59.778.6151.3-85.8154.9000106.3N15L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.33Å
14V50.3Low53.9Low45 Ų4593.9 Ų93.927%0.27355%0.552SS.*  trans-57.3109.3157.8-170.60000101.7G12 V18 Y111G12-V14 PolarHBondContact O-N 2.95Å; V14-V18 HydrophobicContact CG1-CB 3.75Å; V14-V18 HydrophobicContact CG1-CG1 3.74Å; V14-V18 HydrophobicContact CG1-CG2 4.29Å; V14-Y111 HydrophobicContact CG1-CE1 4.44Å
15N49.7Very low56.3Low85 Ų8592.5 Ų92.546%0.45555%0.545SS..  trans-11129.3-175.8-97.2-49.1000113.7L13 S17 V18L13-N15 VanDerWaalsContact C-N 3.31Å; L13-N15 PolarHBondContact O-N 3.33Å; N15-S17 CarbonylContact O-C 3.6Å; N15-S17 PolarHBondContact O-N 2.69Å; N15-V18 HydrophobicContact CB-CG2 4.34Å; N15-V18 PolarHBondContact O-N 3Å
16P56.5Low58.9Low121 Ų12194.9 Ų94.979%0.78654%0.537SS*.THydrogen-bonded Turntrans-52.8-14.4-173.120.7-33.3000115.3
17S66.7Low61.5Low66 Ų6694.9 Ų94.946%0.46253%0.527SS..THydrogen-bonded Turntrans-76.5-8169.958.10000116.8N15N15-S17 CarbonylContact O-C 3.6Å; N15-S17 PolarHBondContact O-N 2.69Å
18V73.8Confident64Low11 Ų1190.2 Ų90.27%0.06749%0.494CS..EExtended strand (participates in β ladder)trans-116.9124.4-173.6-175.60000110.6V14 N15 I37 F39 L76V14-V18 HydrophobicContact CG1-CB 3.75Å; V14-V18 HydrophobicContact CG1-CG1 3.74Å; V14-V18 HydrophobicContact CG1-CG2 4.29Å; N15-V18 HydrophobicContact CB-CG2 4.34Å; N15-V18 PolarHBondContact O-N 3Å; V18-I37 WeakPolarHBondContact CA-O 3.32Å; V18-I37 HydrophobicContact CG1-CG2 4.21Å; V18-I37 HydrophobicContact CG2-CB 4.41Å; V18-I37 HydrophobicContact CG2-CG2 4.2Å; V18-F39 HydrophobicContact CG1-CB 3.78Å; V18-L76 HydrophobicContact CG2-CD1 3.66Å
19L80.6Confident66.4Low78 Ų7886.7 Ų86.741%0.40848%0.476SS..EExtended strand (participates in β ladder)trans-98.4139.3-179.1-64.4166.8000110.6I37 W38 F39L19-I37 PolarHBondContact N-O 2.74Å; L19-W38 HydrophobicContact CB-CD2 4.09Å; L19-W38 HydrophobicContact CB-CE3 3.57Å; L19-W38 HydrophobicContact CB-CH2 3.88Å; L19-W38 HydrophobicContact CB-CZ2 4.34Å; L19-W38 HydrophobicContact CB-CZ3 3.47Å; L19-W38 VanDerWaalsContact CB-CZ3 3.47Å; L19-W38 HydrophobicContact CD1-CH2 3.78Å; L19-W38 HydrophobicContact CD1-CZ2 3.85Å; L19-W38 HydrophobicContact CD1-CZ3 4.28Å; L19-W38 HydrophobicContact CG-CH2 4.48Å; L19-W38 HydrophobicContact CG-CZ3 4.5Å; L19-W38 CarbonylContact O-C 3.58Å; L19-W38 VanDerWaalsContact O-CA 3.27Å; L19-W38 WeakPolarHBondContact O-CA 3.44Å; L19-F39 PolarHBondContact O-N 3.23Å
20V84.6Confident68.5Low60 Ų6080.3 Ų80.336%0.36445%0.449SS..EExtended strand (participates in β ladder)trans-78.3130173.7-1770000109F39V20-F39 HydrophobicContact CG2-CD1 4.36Å
21M83.2Confident70.4Confident14 Ų1476.4 Ų76.47%0.06944%0.442CS..PPolyproline II helixtrans-73.5141.5176-70.4-160.3-177.200111.8W38 F39 V56 I112 I122 L124M21-W38 HydrophobicContact CB-CE3 4.39Å; M21-W38 HydrophobicContact CE-CB 3.12Å; M21-W38 HydrophobicContact CE-CD2 4.37Å; M21-W38 HydrophobicContact CE-CG 3.64Å; M21-W38 HydrophobicContact CG-CB 3.66Å; M21-W38 HydrophobicContact CG-CD2 4.07Å; M21-W38 HydrophobicContact CG-CE3 3.67Å; M21-W38 HydrophobicContact CG-CG 4.11Å; M21-W38 HydrophobicContact SD-CB 4.25Å; M21-F39 PolarHBondContact N-O 3.2Å; M21-V56 HydrophobicContact CE-CG1 4.45Å; M21-V56 HydrophobicContact SD-CG2 4.48Å; M21-I112 HydrophobicContact CE-CB 3.62Å; M21-I112 HydrophobicContact CE-CD1 3.23Å; M21-I112 HydrophobicContact CE-CG1 3.99Å; M21-I112 HydrophobicContact CE-CG2 3.88Å; M21-I112 HydrophobicContact SD-CD1 3.7Å; M21-I122 HydrophobicContact CE-CD1 3.37Å; M21-I122 HydrophobicContact CE-CG1 4.42Å; M21-I122 HydrophobicContact SD-CD1 4.1Å; M21-L124 HydrophobicContact CB-CD1 3.54Å; M21-L124 HydrophobicContact CB-CD2 4.37Å; M21-L124 HydrophobicContact CB-CG 3.84Å; M21-L124 HydrophobicContact SD-CD2 3.71Å; M21-L124 HydrophobicContact SD-CG 4.06Å
22T84.2Confident72.2Confident42 Ų4275.8 Ų75.826%0.25844%0.437SS..  trans-125.7164176510000110.6E24 R26 L124T22-E24 VanDerWaalsContact C-N 3.26Å; T22-E24 PolarHBondContact OG1-O 3.21Å; T22-R26 PolarHBondContact OG1-NE 3.32Å; T22-R26 VanDerWaalsContact OG1-NE 3.13Å; T22-L124 PolarHBondContact O-N 2.94Å
23T84.1Confident73.5Confident84 Ų8477.3 Ų77.352%0.51543%0.432SS..SBendtrans-67.1-31170.647.50000111.8L124 I126T23-L124 HydrophobicContact CG2-CB 4.5Å; T23-I126 HydrophobicContact CG2-CD1 3.5Å; T23-I126 VanDerWaalsContact CG2-CD1 3.5Å; T23-I126 HydrophobicContact CG2-CG1 4Å
24E87.5Confident75Confident142 Ų14271.7 Ų71.766%0.66441%0.412SS*.SBendtrans-68.1133.5174.7-66.4177-176.100111T22 R26T22-E24 VanDerWaalsContact C-N 3.26Å; T22-E24 PolarHBondContact OG1-O 3.21Å; E24-R26 PolarHBondContact O-N 3.25Å
25P85.2Confident76Confident91 Ų9172.1 Ų72.159%0.59142%0.417SS*.  trans-65.7125.5-179.527.2-33.4000110.4I122P25-I122 WeakPolarHBondContact CA-O 3.43Å
26R86.1Confident77.5Confident105 Ų10568.5 Ų68.540%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-107.5130174.5-68.7-174.4179.4-137-2.7110.2T22 E24 W38 Y121 I122T22-R26 PolarHBondContact OG1-NE 3.32Å; T22-R26 VanDerWaalsContact OG1-NE 3.13Å; E24-R26 PolarHBondContact O-N 3.25Å; R26-W38 HydrophobicContact CB-CH2 3.9Å; R26-W38 HydrophobicContact CG-CH2 4.43Å; R26-Y121 WeakPolarHBondContact O-CA 3.29Å; R26-I122 HydrophobicContact CB-CG2 4.28Å; R26-I122 PolarHBondContact N-O 2.89Å; R26-I122 PolarHBondContact O-N 3.41Å
27F85.3Confident78.8Confident104 Ų10463.4 Ų63.446%0.45636%0.364SS..EExtended strand (participates in β ladder)trans-78.2133.9174.6-177.8-111.6000110.7D29 N119 Y121F27-D29 HydrophobicContact CE1-CB 3.84Å; F27-D29 HydrophobicContact CZ-CB 4.43Å; F27-N119 HydrophobicContact CE2-CB 3.87Å; F27-N119 HydrophobicContact CZ-CB 3.92Å; F27-Y121 HydrophobicContact CB-CD1 3.98Å; F27-Y121 HydrophobicContact CB-CE1 3.67Å; F27-Y121 HydrophobicContact CD2-CD1 4.1Å; F27-Y121 HydrophobicContact CD2-CD2 4.45Å; F27-Y121 AromaticContact CD2-CE1 3.61Å; F27-Y121 HydrophobicContact CD2-CE1 3.61Å; F27-Y121 AromaticContact CD2-CE2 3.98Å; F27-Y121 HydrophobicContact CD2-CE2 3.98Å; F27-Y121 HydrophobicContact CD2-CG 4.5Å; F27-Y121 AromaticContact CD2-CZ 3.53Å; F27-Y121 HydrophobicContact CE2-CE2 4.41Å; F27-Y121 HydrophobicContact CG-CE1 4.04Å
28V83Confident79.7Confident13 Ų1360.4 Ų60.48%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-119.8113.9173.8-174.50000109.1W38 Y120 I122V28-W38 HydrophobicContact CG2-CZ2 3.57Å; V28-Y120 HydrophobicContact CB-CD1 4.5Å; V28-Y120 HydrophobicContact CB-CD2 4.38Å; V28-Y120 HydrophobicContact CB-CE1 4.08Å; V28-Y120 HydrophobicContact CB-CE2 3.95Å; V28-Y120 HydrophobicContact CG1-CE1 4.11Å; V28-Y120 HydrophobicContact CG1-CE2 4.48Å; V28-Y120 HydrophobicContact CG2-CD2 4.43Å; V28-Y120 HydrophobicContact CG2-CE2 3.84Å; V28-Y120 PolarHBondContact N-O 3.16Å; V28-Y120 PolarHBondContact O-N 3.06Å; V28-I122 HydrophobicContact CG2-CG2 4.23Å
29D82Confident80.4Confident55 Ų5560.7 Ų60.729%0.29434%0.344SS..  trans-85.5120.4172.2-165-0.3000110.6F27 A31 I32 N33 N119F27-D29 HydrophobicContact CE1-CB 3.84Å; F27-D29 HydrophobicContact CZ-CB 4.43Å; D29-A31 VanDerWaalsContact C-N 3.29Å; D29-A31 PolarHBondContact O-N 3.46Å; D29-A31 PolarHBondContact OD1-N 3.25Å; D29-I32 HydrophobicContact CB-CD1 4.26Å; D29-I32 HydrophobicContact CB-CG1 4.4Å; D29-I32 PolarHBondContact O-N 3.37Å; D29-N33 PolarHBondContact O-N 2.95Å; D29-N119 PolarHBondContact OD1-ND2 3Å; D29-N119 PolarHBondContact OD1-OD1 3.2Å
30I76.1Confident80.8Confident33 Ų3357.2 Ų57.217%0.16933%0.325CS..THydrogen-bonded Turntrans-72.4-27.6-177.5-67.5178.8000111.4I32 N33 S116 A118 N119 Y120I30-I32 PolarHBondContact O-N 3.09Å; I30-I32 VanDerWaalsContact O-N 3.12Å; I30-N33 CarbonylContact O-C 3.32Å; I30-N33 PolarHBondContact O-N 3.19Å; I30-S116 WeakPolarHBondContact CD1-O 3.46Å; I30-A118 VanDerWaalsContact CD1-N 3.28Å; I30-A118 WeakPolarHBondContact CD1-O 3.23Å; I30-N119 WeakPolarHBondContact CB-OD1 3.38Å; I30-N119 PolarHBondContact N-OD1 3.22Å; I30-Y120 HydrophobicContact CD1-CD1 4.42Å; I30-Y120 HydrophobicContact CD1-CE1 4.48Å; I30-Y120 HydrophobicContact CG1-CE1 4.36Å
31A72.3Confident80.9Confident93 Ų9360.5 Ų60.577%0.76934%0.336SS*.THydrogen-bonded Turntrans-57.3-29.3177.600000111.9D29D29-A31 VanDerWaalsContact C-N 3.29Å; D29-A31 PolarHBondContact O-N 3.46Å; D29-A31 PolarHBondContact OD1-N 3.25Å
32I70.1Confident81.1Confident131 Ų13165.6 Ų65.667%0.67236%0.358SS*.THydrogen-bonded Turntrans-87.7-46.2177.4-54175.6000110.6D29 I30D29-I32 HydrophobicContact CB-CD1 4.26Å; D29-I32 HydrophobicContact CB-CG1 4.4Å; D29-I32 PolarHBondContact O-N 3.37Å; I30-I32 PolarHBondContact O-N 3.09Å; I30-I32 VanDerWaalsContact O-N 3.12Å
33N66.8Low81.1Confident92 Ų9265.9 Ų65.949%0.49236%0.356SS..  trans-135.2105-175-73.1-35000111.8D29 I30 S35D29-N33 PolarHBondContact O-N 2.95Å; I30-N33 CarbonylContact O-C 3.32Å; I30-N33 PolarHBondContact O-N 3.19Å; N33-S35 PolarHBondContact O-N 3.46Å
34G66.3Low81.3Confident41 Ų4165.7 Ų65.742%0.42336%0.363SS..SBendtrans-63.5-21.1176.900000114.8H115G34-H115 PolarHBondContact O-ND1 3.03Å
35S72.6Confident81.1Confident54 Ų5464.3 Ų64.338%0.37836%0.355SS..SBendtrans-143.8131.2172.7610000109.6N33N33-S35 PolarHBondContact O-N 3.46Å
36S80.3Confident81.1Confident9 Ų961.8 Ų61.86%0.06334%0.34CS..EExtended strand (participates in β ladder)trans-111141.3175.772.60000110.2W38 I114 Y120S36-W38 VanDerWaalsContact OG-CD1 3.27Å; S36-W38 PolarHBondContact OG-NE1 2.65Å; S36-I114 PolarHBondContact N-O 2.73Å; S36-I114 PolarHBondContact O-N 2.86Å; S36-Y120 PolarHBondContact OG-OH 3.12Å
37I84.2Confident81Confident13 Ų1362.7 Ų62.77%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-110.3127.1173-57.6175.2000107.1V18 L19 L79 A113V18-I37 WeakPolarHBondContact CA-O 3.32Å; V18-I37 HydrophobicContact CG1-CG2 4.21Å; V18-I37 HydrophobicContact CG2-CB 4.41Å; V18-I37 HydrophobicContact CG2-CG2 4.2Å; L19-I37 PolarHBondContact N-O 2.74Å; I37-L79 HydrophobicContact CD1-CD2 4.36Å; I37-A113 HydrophobicContact CG1-CB 4.46Å
38W86.1Confident80.9Confident3 Ų364.3 Ų64.31%0.01136%0.364CS..EExtended strand (participates in β ladder)trans-116.9146.1-179.1-70.891000110.6L19 M21 R26 V28 S36 Y111 I112 I122L19-W38 HydrophobicContact CB-CD2 4.09Å; L19-W38 HydrophobicContact CB-CE3 3.57Å; L19-W38 HydrophobicContact CB-CH2 3.88Å; L19-W38 HydrophobicContact CB-CZ2 4.34Å; L19-W38 HydrophobicContact CB-CZ3 3.47Å; L19-W38 VanDerWaalsContact CB-CZ3 3.47Å; L19-W38 HydrophobicContact CD1-CH2 3.78Å; L19-W38 HydrophobicContact CD1-CZ2 3.85Å; L19-W38 HydrophobicContact CD1-CZ3 4.28Å; L19-W38 HydrophobicContact CG-CH2 4.48Å; L19-W38 HydrophobicContact CG-CZ3 4.5Å; L19-W38 CarbonylContact O-C 3.58Å; L19-W38 VanDerWaalsContact O-CA 3.27Å; L19-W38 WeakPolarHBondContact O-CA 3.44Å; M21-W38 HydrophobicContact CB-CE3 4.39Å; M21-W38 HydrophobicContact CE-CB 3.12Å; M21-W38 HydrophobicContact CE-CD2 4.37Å; M21-W38 HydrophobicContact CE-CG 3.64Å; M21-W38 HydrophobicContact CG-CB 3.66Å; M21-W38 HydrophobicContact CG-CD2 4.07Å; M21-W38 HydrophobicContact CG-CE3 3.67Å; M21-W38 HydrophobicContact CG-CG 4.11Å; M21-W38 HydrophobicContact SD-CB 4.25Å; R26-W38 HydrophobicContact CB-CH2 3.9Å; R26-W38 HydrophobicContact CG-CH2 4.43Å; V28-W38 HydrophobicContact CG2-CZ2 3.57Å; S36-W38 VanDerWaalsContact OG-CD1 3.27Å; S36-W38 PolarHBondContact OG-NE1 2.65Å; W38-Y111 CarbonylContact O-C 3.51Å; W38-Y111 WeakPolarHBondContact O-CA 3.44Å; W38-I112 HydrophobicContact CB-CB 4.47Å; W38-I112 PolarHBondContact N-O 2.86Å; W38-I112 PolarHBondContact O-N 3.38Å; W38-I122 HydrophobicContact CD2-CD1 4.02Å; W38-I122 HydrophobicContact CD2-CG2 4.35Å; W38-I122 HydrophobicContact CG-CD1 3.93Å; W38-I122 HydrophobicContact CH2-CG2 3.8Å; W38-I122 HydrophobicContact CZ2-CG2 3.43Å; W38-I122 VanDerWaalsContact CZ2-CG2 3.43Å; W38-I122 HydrophobicContact CZ3-CG2 4.4Å
39F87.8Confident81Confident18 Ų1868 Ų688%0.07938%0.377CS..EExtended strand (participates in β ladder)trans-112.2124.2177.5176.7-111.4000110.2V18 L19 V20 M21 Q41 N109 Y111V18-F39 HydrophobicContact CG1-CB 3.78Å; L19-F39 PolarHBondContact O-N 3.23Å; V20-F39 HydrophobicContact CG2-CD1 4.36Å; M21-F39 PolarHBondContact N-O 3.2Å; F39-Q41 HydrophobicContact CD1-CB 4.42Å; F39-Q41 HydrophobicContact CE1-CB 3.85Å; F39-Q41 HydrophobicContact CE1-CG 4.32Å; F39-N109 HydrophobicContact CE2-CB 3.96Å; F39-N109 HydrophobicContact CZ-CB 4.22Å; F39-Y111 HydrophobicContact CB-CD1 4.25Å; F39-Y111 HydrophobicContact CB-CE1 4.2Å; F39-Y111 AromaticContact CD2-CD1 3.71Å; F39-Y111 HydrophobicContact CD2-CD1 3.71Å; F39-Y111 AromaticContact CD2-CE1 3.27Å; F39-Y111 HydrophobicContact CD2-CE1 3.27Å; F39-Y111 HydrophobicContact CD2-CE2 4.22Å; F39-Y111 HydrophobicContact CD2-CG 4.34Å; F39-Y111 AromaticContact CD2-CZ 3.56Å; F39-Y111 AromaticContact CE2-CE1 3.94Å; F39-Y111 HydrophobicContact CE2-CE1 3.94Å; F39-Y111 HydrophobicContact CE2-CE2 4.24Å; F39-Y111 AromaticContact CE2-CZ 3.72Å; F39-Y111 HydrophobicContact CG-CD1 4.45Å; F39-Y111 HydrophobicContact CG-CE1 4.07Å
40Y88.3Confident81.2Confident5 Ų565.4 Ų65.42%0.0236%0.363CS..EExtended strand (participates in β ladder)trans-91.8119.7166.1174.9-106.5000109.4V54 L104 P106 S110 L124Y40-V54 HydrophobicContact CE2-CG1 3.85Å; Y40-L104 HydrophobicContact CG-CD1 4.42Å; Y40-P106 WeakPolarHBondContact OH-CA 3.39Å; Y40-P106 PolarHBondContact OH-O 2.73Å; Y40-S110 WeakPolarHBondContact CB-O 3.32Å; Y40-S110 PolarHBondContact N-O 2.9Å; Y40-S110 PolarHBondContact O-N 3.36Å; Y40-L124 HydrophobicContact CD2-CD1 3.81Å; Y40-L124 HydrophobicContact CD2-CD2 4.24Å; Y40-L124 HydrophobicContact CE2-CD1 4.11Å
41Q87.8Confident81.9Confident129 Ų12965.7 Ų65.760%0.60336%0.362SS*.PPolyproline II helixtrans-83124.5175.9-174.8172.41.600110.1F39F39-Q41 HydrophobicContact CD1-CB 4.42Å; F39-Q41 HydrophobicContact CE1-CB 3.85Å; F39-Q41 HydrophobicContact CE1-CG 4.32Å
42K86.6Confident82.7Confident120 Ų12062 Ų6252%0.52233%0.329SS..PPolyproline II helixtrans-56.3146.5176.569.9-173.7-179.6178.60112.2N109K42-N109 WeakPolarHBondContact CB-OD1 3.34Å; K42-N109 WeakPolarHBondContact CG-OD1 3.49Å; K42-N109 PolarHBondContact N-OD1 3.21Å
43Q85Confident83.6Confident48 Ų4856.3 Ų56.322%0.22430%0.301CS..PPolyproline II helixtrans-91.9157.7172.5-64.7-176.2-4.100111.6K45 K52 P106Q43-K45 PolarHBondContact O-N 2.89Å; Q43-K52 VanDerWaalsContact OE1-CE 3.25Å; Q43-P106 PolarHBondContact N-O 3Å
44A87Confident84.6Confident80 Ų8052 Ų5266%0.66128%0.278SS*.PPolyproline II helixtrans-64.3132.1173.700000109.9S46A44-S46 PolarHBondContact O-N 3.07Å
45K83.3Confident85.5Confident113 Ų11351.2 Ų51.249%0.49127%0.266SS..PPolyproline II helixtrans-65.9119.4174.7-70.1179.6174-177.50108.8Q43 F107 E266Q43-K45 PolarHBondContact O-N 2.89Å; K45-F107 HydrophobicContact CB-CD1 4.37Å; K45-F107 HydrophobicContact CG-CB 4.15Å; K45-F107 HydrophobicContact CG-CD1 3.76Å; K45-F107 HydrophobicContact CG-CE1 4.45Å; K45-F107 HydrophobicContact CG-CG 4.05Å; K45-E266 IonicContact NZ-OE1 2.72Å; K45-E266 PolarHBondContact NZ-OE1 3.1Å; K45-E266 IonicContact NZ-OE2 2.79Å; K45-E266 PolarHBondContact NZ-OE2 2.83Å
46S86.3Confident86.2Confident39 Ų3949 Ų4927%0.27325%0.25SS..  trans-138.9153.1169.286.60000108.6A44 L48 Y49 I264A44-S46 PolarHBondContact O-N 3.07Å; S46-L48 PolarHBondContact O-N 3.41Å; S46-Y49 PolarHBondContact O-N 2.73Å; S46-Y49 VanDerWaalsContact O-N 3.11Å; S46-Y49 WeakPolarHBondContact OG-CD2 3.44Å; S46-Y49 VanDerWaalsContact OG-CE2 3.3Å; S46-Y49 WeakPolarHBondContact OG-CE2 3.25Å; S46-Y49 VanDerWaalsContact OG-CG 3.31Å; S46-Y49 PolarHBondContact OG-N 3.01Å; S46-I264 VanDerWaalsContact O-CD1 3.29Å; S46-I264 WeakPolarHBondContact O-CD1 3.43Å
47I83.7Confident86.4Confident123 Ų12351.7 Ų51.763%0.63126%0.264SS*.G310 helixtrans-61.1-36.3-179.6-63.2166.9000110.8Y49 A50 L267I47-Y49 PolarHBondContact O-N 3.09Å; I47-A50 VanDerWaalsContact O-CB 3.22Å; I47-A50 WeakPolarHBondContact O-CB 3.22Å; I47-A50 PolarHBondContact O-N 2.7Å; I47-A50 VanDerWaalsContact O-N 3.1Å; I47-L267 HydrophobicContact CB-CD1 4.25Å; I47-L267 HydrophobicContact CG1-CD1 3.92Å; I47-L267 HydrophobicContact CG2-CD1 4.01Å
48L83.2Confident86.4Confident139 Ų13951.7 Ų51.773%0.72826%0.264SS*.G310 helixtrans-62.9-27.4179-62177.7000112.6S46S46-L48 PolarHBondContact O-N 3.41Å
49Y86.1Confident86.3Confident91 Ų9155 Ų5536%0.35728%0.282SS..G310 helixtrans-90.83.4179.6-55.8-38.1000113.5S46 I47 W51 K52 F107S46-Y49 PolarHBondContact O-N 2.73Å; S46-Y49 VanDerWaalsContact O-N 3.11Å; S46-Y49 WeakPolarHBondContact OG-CD2 3.44Å; S46-Y49 VanDerWaalsContact OG-CE2 3.3Å; S46-Y49 WeakPolarHBondContact OG-CE2 3.25Å; S46-Y49 VanDerWaalsContact OG-CG 3.31Å; S46-Y49 PolarHBondContact OG-N 3.01Å; I47-Y49 PolarHBondContact O-N 3.09Å; Y49-W51 PolarHBondContact O-N 3.02Å; Y49-W51 VanDerWaalsContact O-N 3.08Å; Y49-K52 HydrophobicContact CD1-CD 4.03Å; Y49-K52 HydrophobicContact CG-CD 4.29Å; Y49-K52 WeakPolarHBondContact O-CB 3.26Å; Y49-K52 PolarHBondContact O-N 3.09Å; Y49-F107 WeakPolarHBondContact O-CZ 3.49Å
50A86.4Confident86Confident0 Ų055.4 Ų55.40%028%0.284CS..THydrogen-bonded Turntrans-60.7-21.5-177.400000114.4I47 Q263 I264 L267I47-A50 VanDerWaalsContact O-CB 3.22Å; I47-A50 WeakPolarHBondContact O-CB 3.22Å; I47-A50 PolarHBondContact O-N 2.7Å; I47-A50 VanDerWaalsContact O-N 3.1Å; A50-Q263 VanDerWaalsContact O-CB 3.27Å; A50-Q263 WeakPolarHBondContact O-CB 3.34Å; A50-Q263 PolarHBondContact O-N 3.37Å; A50-I264 HydrophobicContact CB-CD1 4.05Å; A50-I264 HydrophobicContact CB-CG1 4.29Å; A50-L267 HydrophobicContact CB-CD1 4.26Å
51W90.3Very high85.6Confident39 Ų3958 Ų5815%0.14831%0.312CS..THydrogen-bonded Turntrans-116.426.3176.6-57.5-83.1000112.8Y49 D130 F134 T137Y49-W51 PolarHBondContact O-N 3.02Å; Y49-W51 VanDerWaalsContact O-N 3.08Å; W51-D130 WeakPolarHBondContact O-CB 3.1Å; W51-D130 PolarHBondContact O-N 2.94Å; W51-F134 HydrophobicContact CB-CB 4.24Å; W51-F134 HydrophobicContact CD2-CB 4.47Å; W51-F134 AromaticContact CD2-CD2 3.56Å; W51-F134 HydrophobicContact CD2-CD2 3.56Å; W51-F134 HydrophobicContact CD2-CE2 4.34Å; W51-F134 AromaticContact CE2-CD2 3.66Å; W51-F134 AromaticContact CE3-CD2 3.78Å; W51-F134 HydrophobicContact CE3-CD2 3.78Å; W51-F134 HydrophobicContact CE3-CE2 4.21Å; W51-F134 HydrophobicContact CG-CB 4.01Å; W51-F134 HydrophobicContact CG-CD2 4Å; W51-F134 HydrophobicContact CH2-CD2 4.17Å; W51-F134 HydrophobicContact CH2-CE2 4.01Å; W51-F134 AromaticContact CZ2-CD2 3.97Å; W51-F134 HydrophobicContact CZ2-CD2 3.97Å; W51-F134 HydrophobicContact CZ2-CE2 4.14Å; W51-F134 HydrophobicContact CZ3-CD2 4.08Å; W51-F134 HydrophobicContact CZ3-CE2 4.05Å; W51-T137 HydrophobicContact CZ2-CG2 4.03Å; W51-T137 PolarHBondContact NE1-OG1 3.42Å
52K88.6Confident85Confident14 Ų1460.1 Ų60.16%0.06133%0.328CS..  trans-82.6131.5175.8-170.4166.1-172.9174.10110Q43 Y49 I126 N127 Q263Q43-K52 VanDerWaalsContact OE1-CE 3.25Å; Y49-K52 HydrophobicContact CD1-CD 4.03Å; Y49-K52 HydrophobicContact CG-CD 4.29Å; Y49-K52 WeakPolarHBondContact O-CB 3.26Å; Y49-K52 PolarHBondContact O-N 3.09Å; K52-I126 HydrophobicContact CD-CG2 4.37Å; K52-I126 HydrophobicContact CG-CG2 4.44Å; K52-N127 WeakPolarHBondContact CG-O 3.1Å; K52-Q263 WeakPolarHBondContact O-CG 3.39Å
53S88.8Confident84.5Confident13 Ų1358 Ų589%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-112.5126.3177.5-173.10000109.5N127S53-N127 PolarHBondContact N-O 3.47Å; S53-N127 PolarHBondContact O-N 3.35Å
54V87.7Confident83.8Confident0 Ų060.9 Ų60.90%035%0.35CS..EExtended strand (participates in β ladder)trans-113.7122.6178.9176.50000108.1Y40 T103 L104 P106 L124 I126Y40-V54 HydrophobicContact CE2-CG1 3.85Å; V54-T103 CarbonylContact O-C 3.6Å; V54-T103 WeakPolarHBondContact O-CA 3.34Å; V54-L104 HydrophobicContact CB-CB 4.44Å; V54-L104 HydrophobicContact CG1-CB 4.31Å; V54-L104 HydrophobicContact CG1-CD1 4.09Å; V54-L104 PolarHBondContact O-N 2.88Å; V54-P106 HydrophobicContact CG2-CB 3.79Å; V54-L124 HydrophobicContact CG1-CD2 4.16Å; V54-I126 HydrophobicContact CG1-CG1 4.42Å; V54-I126 HydrophobicContact CG2-CG1 4.37Å; V54-I126 HydrophobicContact CG2-CG2 4.31Å
55S86.5Confident83Confident25 Ų2563.8 Ų63.818%0.17535%0.354CS..EExtended strand (participates in β ladder)trans-127.8144178.359.60000113.7T102 H125S55-T102 CarbonylContact C-O 3.58Å; S55-T102 WeakPolarHBondContact CA-O 3.33Å; S55-T102 VanDerWaalsContact CB-O 3.25Å; S55-T102 WeakPolarHBondContact CB-O 3.48Å; S55-H125 PolarHBondContact N-O 3.34Å; S55-H125 PolarHBondContact O-N 3.49Å; S55-H125 PolarHBondContact OG-O 2.91Å
56V85.6Confident82.5Confident8 Ų859.1 Ų59.15%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-85.4121.9173.9-172.10000108.7M21 V58 F72 T102 L104 I112 I122 L124M21-V56 HydrophobicContact CE-CG1 4.45Å; M21-V56 HydrophobicContact SD-CG2 4.48Å; V56-V58 HydrophobicContact CG1-CG2 4.04Å; V56-F72 HydrophobicContact CG2-CE1 4.19Å; V56-T102 PolarHBondContact N-O 2.9Å; V56-L104 HydrophobicContact CG2-CD1 3.48Å; V56-L104 VanDerWaalsContact CG2-CD1 3.48Å; V56-L104 HydrophobicContact CG2-CG 4.27Å; V56-I112 HydrophobicContact CG2-CD1 3.81Å; V56-I122 HydrophobicContact CG1-CD1 4.27Å; V56-I122 HydrophobicContact CG1-CG1 4.1Å; V56-L124 HydrophobicContact CG2-CD2 4.34Å
57N84.6Confident81.9Confident65 Ų6565.5 Ų65.535%0.34836%0.36SS..EExtended strand (participates in β ladder)trans-101.7134.1168.7-167.329.3000110.1D59 S123N57-D59 VanDerWaalsContact ND2-CG 3.3Å; N57-D59 PolarHBondContact ND2-OD1 3.24Å; N57-D59 PolarHBondContact ND2-OD2 3.42Å; N57-D59 PolarHBondContact OD1-OD1 2.99Å; N57-S123 PolarHBondContact N-O 2.92Å; N57-S123 PolarHBondContact O-N 3.46Å
58V83.9Confident81.5Confident13 Ų1362.9 Ų62.98%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-127.7109.2178.4-174.60000107.7V56 F60 M70 I114 Y120 Y121V56-V58 HydrophobicContact CG1-CG2 4.04Å; V58-F60 HydrophobicContact CB-CE2 4.38Å; V58-F60 HydrophobicContact CB-CZ 4.4Å; V58-F60 HydrophobicContact CG1-CE1 4Å; V58-F60 HydrophobicContact CG1-CE2 3.75Å; V58-F60 HydrophobicContact CG1-CZ 3.4Å; V58-M70 HydrophobicContact CG2-SD 3.63Å; V58-I114 HydrophobicContact CG2-CD1 4.04Å; V58-Y120 HydrophobicContact CG1-CD2 3.85Å; V58-Y120 HydrophobicContact CG1-CG 4.1Å; V58-Y121 WeakPolarHBondContact CA-O 3.31Å
59D84.1Confident81.2Confident72 Ų7258.5 Ų58.539%0.38532%0.322SS..EExtended strand (participates in β ladder)trans-107129.9-177.8-60.6-38.5000109.6N57 Y120 Y121N57-D59 VanDerWaalsContact ND2-CG 3.3Å; N57-D59 PolarHBondContact ND2-OD1 3.24Å; N57-D59 PolarHBondContact ND2-OD2 3.42Å; N57-D59 PolarHBondContact OD1-OD1 2.99Å; D59-Y120 WeakPolarHBondContact O-CA 3.12Å; D59-Y121 PolarHBondContact N-O 3.48Å; D59-Y121 PolarHBondContact O-N 3.36Å
60F82.2Confident80.8Confident28 Ų2855 Ų5512%0.12331%0.309CS..  trans-100.115.4-178.4-62-80.8000112.9V58 D62 V63 A66 Y68 S116 Y120V58-F60 HydrophobicContact CB-CE2 4.38Å; V58-F60 HydrophobicContact CB-CZ 4.4Å; V58-F60 HydrophobicContact CG1-CE1 4Å; V58-F60 HydrophobicContact CG1-CE2 3.75Å; V58-F60 HydrophobicContact CG1-CZ 3.4Å; F60-D62 PolarHBondContact O-N 3.37Å; F60-V63 HydrophobicContact CB-CB 4.28Å; F60-V63 WeakPolarHBondContact CB-O 3.45Å; F60-V63 PolarHBondContact O-N 3.25Å; F60-A66 HydrophobicContact CB-CB 3.96Å; F60-A66 HydrophobicContact CD1-CB 3.42Å; F60-A66 VanDerWaalsContact CD1-CB 3.42Å; F60-A66 HydrophobicContact CD2-CB 3.93Å; F60-A66 HydrophobicContact CE1-CB 3.88Å; F60-A66 HydrophobicContact CE2-CB 4.34Å; F60-A66 HydrophobicContact CG-CB 3.46Å; F60-A66 VanDerWaalsContact CG-CB 3.46Å; F60-A66 HydrophobicContact CZ-CB 4.32Å; F60-Y68 HydrophobicContact CD2-CE1 4.5Å; F60-Y68 HydrophobicContact CE1-CD1 4.33Å; F60-Y68 HydrophobicContact CE1-CG 4.47Å; F60-Y68 AromaticContact CE2-CD1 3.33Å; F60-Y68 HydrophobicContact CE2-CD1 3.33Å; F60-Y68 AromaticContact CE2-CE1 3.39Å; F60-Y68 HydrophobicContact CE2-CE1 3.39Å; F60-Y68 HydrophobicContact CE2-CG 4Å; F60-Y68 AromaticContact CZ-CD1 3.21Å; F60-Y68 HydrophobicContact CZ-CD1 3.21Å; F60-Y68 HydrophobicContact CZ-CD2 4.17Å; F60-Y68 AromaticContact CZ-CE1 3.76Å; F60-Y68 HydrophobicContact CZ-CE1 3.76Å; F60-Y68 AromaticContact CZ-CG 3.45Å; F60-Y68 HydrophobicContact CZ-CG 3.45Å; F60-Y68 VanDerWaalsContact CZ-CG 3.45Å; F60-S116 VanDerWaalsContact CE1-OG 3.28Å; F60-S116 WeakPolarHBondContact CE1-OG 3.36Å; F60-Y120 HydrophobicContact CE1-CD1 4.39Å; F60-Y120 HydrophobicContact CE1-CG 4.18Å
61G80.1Confident80.3Confident59 Ų5955.3 Ų55.361%0.60831%0.31SS*.THydrogen-bonded Turntrans59.9-122.1-173.400000110.8V63G61-V63 VanDerWaalsContact C-N 3.31Å; G61-V63 PolarHBondContact O-N 3.08Å
62D75.7Confident79.8Confident174 Ų17455 Ų5593%0.9331%0.31SS*.THydrogen-bonded Turntrans-82.5-4.5-176.9-60.6-35.4000114F60 S64F60-D62 PolarHBondContact O-N 3.37Å; D62-S64 PolarHBondContact O-N 3.43Å
63V75.6Confident79.4Confident74 Ų7455 Ų5545%0.44832%0.315SS..  trans-89.297.3-178.4-172.60000110.2F60 G61 D65 A66 A118F60-V63 HydrophobicContact CB-CB 4.28Å; F60-V63 WeakPolarHBondContact CB-O 3.45Å; F60-V63 PolarHBondContact O-N 3.25Å; G61-V63 VanDerWaalsContact C-N 3.31Å; G61-V63 PolarHBondContact O-N 3.08Å; V63-D65 VanDerWaalsContact C-N 3.31Å; V63-D65 PolarHBondContact O-N 3.25Å; V63-A66 HydrophobicContact CG1-CB 3.98Å; V63-A118 HydrophobicContact CG1-CB 4.36Å
64S70.9Confident79.1Confident110 Ų11060.2 Ų60.277%0.76934%0.342SS*.THydrogen-bonded Turntrans-68.2-28.9178.1620000113.8D62D62-S64 PolarHBondContact O-N 3.43Å
65D70Confident78.9Confident140 Ų14063.6 Ų63.675%0.74936%0.36SS*.THydrogen-bonded Turntrans-107.421.8-165.4-62.4-4.2000113V63 K67V63-D65 VanDerWaalsContact C-N 3.31Å; V63-D65 PolarHBondContact O-N 3.25Å; D65-K67 PolarHBondContact O-N 3.13Å
66A71.8Confident78.7Confident16 Ų1663.2 Ų63.213%0.13236%0.356CS..  trans-64.5126.5179.600000111.4F60 V63 A118F60-A66 HydrophobicContact CB-CB 3.96Å; F60-A66 HydrophobicContact CD1-CB 3.42Å; F60-A66 VanDerWaalsContact CD1-CB 3.42Å; F60-A66 HydrophobicContact CD2-CB 3.93Å; F60-A66 HydrophobicContact CE1-CB 3.88Å; F60-A66 HydrophobicContact CE2-CB 4.34Å; F60-A66 HydrophobicContact CG-CB 3.46Å; F60-A66 VanDerWaalsContact CG-CB 3.46Å; F60-A66 HydrophobicContact CZ-CB 4.32Å; V63-A66 HydrophobicContact CG1-CB 3.98Å; A66-A118 HydrophobicContact CB-CB 3.94Å
67K73.8Confident78.6Confident172 Ų17267.2 Ų67.275%0.74838%0.38SS*.  trans-88.6122174.1-69.4-178.6-176.7175.10109.2D65 S117D65-K67 PolarHBondContact O-N 3.13Å; K67-S117 PolarHBondContact N-OG 3.43Å; K67-S117 PolarHBondContact O-N 2.99Å; K67-S117 PolarHBondContact O-OG 3.33Å
68Y75.6Confident78.5Confident69 Ų6970.4 Ų70.427%0.27139%0.391SS..EExtended strand (participates in β ladder)trans-138.2152.7175.869.8-80.3000111.3F60 M70 K100 H115F60-Y68 HydrophobicContact CD2-CE1 4.5Å; F60-Y68 HydrophobicContact CE1-CD1 4.33Å; F60-Y68 HydrophobicContact CE1-CG 4.47Å; F60-Y68 AromaticContact CE2-CD1 3.33Å; F60-Y68 HydrophobicContact CE2-CD1 3.33Å; F60-Y68 AromaticContact CE2-CE1 3.39Å; F60-Y68 HydrophobicContact CE2-CE1 3.39Å; F60-Y68 HydrophobicContact CE2-CG 4Å; F60-Y68 AromaticContact CZ-CD1 3.21Å; F60-Y68 HydrophobicContact CZ-CD1 3.21Å; F60-Y68 HydrophobicContact CZ-CD2 4.17Å; F60-Y68 AromaticContact CZ-CE1 3.76Å; F60-Y68 HydrophobicContact CZ-CE1 3.76Å; F60-Y68 AromaticContact CZ-CG 3.45Å; F60-Y68 HydrophobicContact CZ-CG 3.45Å; F60-Y68 VanDerWaalsContact CZ-CG 3.45Å; Y68-M70 HydrophobicContact CD2-CG 3.67Å; Y68-M70 HydrophobicContact CD2-SD 4.12Å; Y68-M70 HydrophobicContact CE2-CE 3.71Å; Y68-M70 HydrophobicContact CE2-CG 3.82Å; Y68-M70 HydrophobicContact CE2-SD 3.76Å; Y68-K100 VanDerWaalsContact OH-CE 3.26Å; Y68-K100 WeakPolarHBondContact OH-CE 3.46Å; Y68-K100 PolarHBondContact OH-NZ 2.89Å; Y68-K100 VanDerWaalsContact OH-NZ 3.1Å; Y68-H115 CarbonylContact C-O 3.53Å; Y68-H115 VanDerWaalsContact CA-O 3.28Å; Y68-H115 WeakPolarHBondContact CA-O 3.45Å
69T76.6Confident78.3Confident46 Ų4669.9 Ų69.928%0.28239%0.388SS..EExtended strand (participates in β ladder)trans-128.4126.4173.853.70000108K86 W91 H115T69-K86 PolarHBondContact OG1-NZ 3.49Å; T69-W91 HydrophobicContact CG2-CH2 4.4Å; T69-H115 PolarHBondContact N-O 3.16Å; T69-H115 PolarHBondContact O-N 3.42Å; T69-H115 PolarHBondContact OG1-O 3.14Å
70M77.6Confident78.2Confident17 Ų1771.6 Ų71.68%0.08439%0.389CS..EExtended strand (participates in β ladder)trans-109.5133.3175.8-54.7-172.2-66.400108.2V58 Y68 F72 K100 A113 I114V58-M70 HydrophobicContact CG2-SD 3.63Å; Y68-M70 HydrophobicContact CD2-CG 3.67Å; Y68-M70 HydrophobicContact CD2-SD 4.12Å; Y68-M70 HydrophobicContact CE2-CE 3.71Å; Y68-M70 HydrophobicContact CE2-CG 3.82Å; Y68-M70 HydrophobicContact CE2-SD 3.76Å; M70-F72 HydrophobicContact CB-CE2 4.24Å; M70-F72 HydrophobicContact CB-CZ 4.46Å; M70-K100 HydrophobicContact CE-CG 4.13Å; M70-A113 CarbonylContact C-O 3.54Å; M70-A113 WeakPolarHBondContact CA-O 3.1Å; M70-I114 HydrophobicContact CG-CD1 4.39Å; M70-I114 HydrophobicContact CG-CG1 4.1Å; M70-I114 HydrophobicContact CG-CG2 4.47Å; M70-I114 HydrophobicContact SD-CD1 4.3Å
71M76.2Confident78.1Confident8 Ų877 Ų774%0.03941%0.414CS..EExtended strand (participates in β ladder)trans-123.8133.8176.6-53.8-166.9-63.300108.9L83 K86 L98 I112 A113M71-L83 HydrophobicContact CE-CB 4.08Å; M71-L83 HydrophobicContact CE-CD1 3.35Å; M71-L83 HydrophobicContact CE-CG 4.33Å; M71-K86 HydrophobicContact SD-CD 4.41Å; M71-L98 HydrophobicContact CB-CD2 4.25Å; M71-L98 HydrophobicContact CG-CD2 3.5Å; M71-L98 HydrophobicContact SD-CD2 3.83Å; M71-I112 CarbonylContact O-C 3.58Å; M71-I112 VanDerWaalsContact O-CA 3.3Å; M71-I112 WeakPolarHBondContact O-CA 3.38Å; M71-A113 HydrophobicContact CE-CB 4.31Å; M71-A113 PolarHBondContact N-O 3.24Å; M71-A113 PolarHBondContact O-N 3.44Å
72F81Confident77.9Confident31 Ų3178.2 Ų78.214%0.13640%0.404CS..EExtended strand (participates in β ladder)trans-106.9139179.2-61.7-86.6000109V56 M70 R101 L104 I112V56-F72 HydrophobicContact CG2-CE1 4.19Å; M70-F72 HydrophobicContact CB-CE2 4.24Å; M70-F72 HydrophobicContact CB-CZ 4.46Å; F72-R101 HydrophobicContact CD2-CB 4.04Å; F72-R101 HydrophobicContact CE2-CB 4Å; F72-R101 WeakPolarHBondContact CE2-O 3.3Å; F72-R101 WeakPolarHBondContact CZ-O 3.48Å; F72-L104 HydrophobicContact CD1-CD2 3.61Å; F72-L104 HydrophobicContact CE1-CD2 3.73Å; F72-L104 HydrophobicContact CE1-CG 4.18Å; F72-I112 HydrophobicContact CD1-CD1 4.34Å; F72-I112 HydrophobicContact CD1-CG1 3.66Å; F72-I112 HydrophobicContact CD1-CG2 4.42Å; F72-I112 HydrophobicContact CE1-CD1 4.05Å; F72-I112 HydrophobicContact CE1-CG1 3.73Å; F72-I112 HydrophobicContact CE1-CG2 4.06Å
73G79.8Confident77.9Confident16 Ų1672 Ų7217%0.16537%0.37CS..EExtended strand (participates in β ladder)trans-158.5145.9174.200000112.2N75 Y111G73-N75 VanDerWaalsContact C-N 3.33Å; G73-Y111 PolarHBondContact N-O 2.74Å; G73-Y111 WeakPolarHBondContact O-CA 3.35Å; G73-Y111 WeakPolarHBondContact O-CB 3.28Å; G73-Y111 PolarHBondContact O-N 3.29Å
74D81.2Confident77.9Confident122 Ų12277.3 Ų77.365%0.65239%0.388SS*.SBendtrans-80.5-19-177.1-57.7-29.2000112.7
75N84.4Confident78Confident71 Ų7175.7 Ų75.738%0.3837%0.37SS..  trans-129.2130.4-178.1-169.4-3.6000111.5G73 T77 K78 L79G73-N75 VanDerWaalsContact C-N 3.33Å; N75-T77 PolarHBondContact ND2-OG1 3.12Å; N75-T77 PolarHBondContact O-N 3.18Å; N75-T77 PolarHBondContact OD1-N 3.17Å; N75-T77 PolarHBondContact OD1-OG1 3.37Å; N75-K78 HydrophobicContact CB-CB 4.34Å; N75-K78 HydrophobicContact CB-CD 4.23Å; N75-K78 HydrophobicContact CB-CG 4.22Å; N75-K78 PolarHBondContact O-N 3.5Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 2.9Å
76L81.9Confident77.7Confident17 Ų1770.9 Ų70.99%0.08934%0.343CS..Hα-helixtrans-61-40.9-178.6-175.8155000112.8V18 L79 R80 Y111V18-L76 HydrophobicContact CG2-CD1 3.66Å; L76-L79 PolarHBondContact O-N 3.12Å; L76-R80 VanDerWaalsContact O-CB 3.32Å; L76-R80 WeakPolarHBondContact O-CB 3.29Å; L76-R80 PolarHBondContact O-N 3.47Å; L76-Y111 HydrophobicContact CB-CD1 4.23Å; L76-Y111 HydrophobicContact CB-CD2 4.34Å; L76-Y111 HydrophobicContact CB-CE1 4.06Å; L76-Y111 HydrophobicContact CB-CE2 4.19Å; L76-Y111 HydrophobicContact CB-CG 4.36Å; L76-Y111 HydrophobicContact CD1-CD1 4.32Å; L76-Y111 HydrophobicContact CD1-CE1 3.97Å
77T83.8Confident77.2Confident91 Ų9178 Ų7856%0.55838%0.379SS*.Hα-helixtrans-66.9-44.9-177.854.20000111.4N75 R80 E81N75-T77 PolarHBondContact ND2-OG1 3.12Å; N75-T77 PolarHBondContact O-N 3.18Å; N75-T77 PolarHBondContact OD1-N 3.17Å; N75-T77 PolarHBondContact OD1-OG1 3.37Å; T77-R80 PolarHBondContact O-N 3.46Å; T77-E81 PolarHBondContact O-N 3.35Å
78K82.8Confident76.3Confident133 Ų13371.7 Ų71.758%0.57836%0.356SS*.Hα-helixtrans-61-46174.6-65.3-174.7177.8-178.30111.2N75 R80 E81 E82N75-K78 HydrophobicContact CB-CB 4.34Å; N75-K78 HydrophobicContact CB-CD 4.23Å; N75-K78 HydrophobicContact CB-CG 4.22Å; N75-K78 PolarHBondContact O-N 3.5Å; K78-R80 VanDerWaalsContact C-N 3.34Å; K78-R80 PolarHBondContact O-N 3.23Å; K78-E81 PolarHBondContact O-N 3.37Å; K78-E82 WeakPolarHBondContact O-CG 3.3Å; K78-E82 PolarHBondContact O-N 2.86Å
79L80Confident75.5Confident2 Ų277.9 Ų77.91%0.0138%0.379CS..Hα-helixtrans-63.6-38.4178-177.5151.6000112.2I37 N75 L76 E82 L83 Y111 A113I37-L79 HydrophobicContact CD1-CD2 4.36Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 2.9Å; L76-L79 PolarHBondContact O-N 3.12Å; L79-E82 PolarHBondContact O-N 3.15Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.36Å; L79-L83 PolarHBondContact O-N 3.16Å; L79-Y111 WeakPolarHBondContact CD1-O 3.17Å; L79-A113 HydrophobicContact CD1-CB 4.21Å; L79-A113 HydrophobicContact CD2-CB 3.59Å; L79-A113 HydrophobicContact CG-CB 4.29Å
80R81.4Confident74.6Confident108 Ų10878.4 Ų78.441%0.40838%0.38SS..Hα-helixtrans-69.2-36.6176.9-178.9173.9-90.9151.2-6.8111.6L76 T77 K78 L83 K84L76-R80 VanDerWaalsContact O-CB 3.32Å; L76-R80 WeakPolarHBondContact O-CB 3.29Å; L76-R80 PolarHBondContact O-N 3.47Å; T77-R80 PolarHBondContact O-N 3.46Å; K78-R80 VanDerWaalsContact C-N 3.34Å; K78-R80 PolarHBondContact O-N 3.23Å; R80-L83 PolarHBondContact O-N 3.28Å; R80-K84 WeakPolarHBondContact O-CB 3.4Å; R80-K84 PolarHBondContact O-N 2.9Å
81E80.6Confident73.6Confident142 Ų14281.3 Ų81.366%0.66439%0.39SS*.Hα-helixtrans-64.9-44.9173-172.2174-174.300111.3T77 K78 L83 K84 N85T77-E81 PolarHBondContact O-N 3.35Å; K78-E81 PolarHBondContact O-N 3.37Å; E81-L83 PolarHBondContact O-N 3.09Å; E81-K84 PolarHBondContact O-N 3.42Å; E81-N85 VanDerWaalsContact O-CB 3.25Å; E81-N85 WeakPolarHBondContact O-CB 3.19Å; E81-N85 PolarHBondContact O-N 2.96Å
82E75.7Confident72.8Confident83 Ų8385.4 Ų85.439%0.38841%0.408SS..Hα-helixtrans-62-41.5174-73.6-180-169.900112.2K78 L79 N85 K86K78-E82 WeakPolarHBondContact O-CG 3.3Å; K78-E82 PolarHBondContact O-N 2.86Å; L79-E82 PolarHBondContact O-N 3.15Å; E82-N85 PolarHBondContact O-N 3.36Å; E82-K86 PolarHBondContact O-N 2.89Å
83L75.9Confident71.7Confident43 Ų4389.5 Ų89.523%0.22543%0.431CS..Hα-helixtrans-62-43.4175.4-170.878.3000111.8M71 L79 R80 E81 K86 A113M71-L83 HydrophobicContact CE-CB 4.08Å; M71-L83 HydrophobicContact CE-CD1 3.35Å; M71-L83 HydrophobicContact CE-CG 4.33Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.36Å; L79-L83 PolarHBondContact O-N 3.16Å; R80-L83 PolarHBondContact O-N 3.28Å; E81-L83 PolarHBondContact O-N 3.09Å; L83-K86 VanDerWaalsContact O-CB 3.28Å; L83-K86 WeakPolarHBondContact O-CB 3.34Å; L83-K86 PolarHBondContact O-N 3.42Å; L83-A113 HydrophobicContact CD1-CB 4.34Å
84K75.9Confident70.4Confident187 Ų18796.3 Ų96.381%0.81345%0.451SS*.Hα-helixtrans-68.1-38.9177.3-171.2179.5179.5-176.90111.6R80 E81 K86R80-K84 WeakPolarHBondContact O-CB 3.4Å; R80-K84 PolarHBondContact O-N 2.9Å; E81-K84 PolarHBondContact O-N 3.42Å; K84-K86 VanDerWaalsContact C-N 3.26Å; K84-K86 PolarHBondContact O-N 3.29Å
85N71.7Confident68.8Low76 Ų7691.7 Ų91.741%0.40643%0.429SS..Hα-helixtrans-76.6-10.5-179.8-163.823.9000113.4E81 E82 N87 S88E81-N85 VanDerWaalsContact O-CB 3.25Å; E81-N85 WeakPolarHBondContact O-CB 3.19Å; E81-N85 PolarHBondContact O-N 2.96Å; E82-N85 PolarHBondContact O-N 3.36Å; N85-N87 PolarHBondContact O-N 2.88Å; N85-N87 VanDerWaalsContact O-N 3.09Å; N85-S88 VanDerWaalsContact O-CB 3.22Å; N85-S88 WeakPolarHBondContact O-CB 3.25Å; N85-S88 PolarHBondContact O-N 3.01Å
86K64Low67.1Low38 Ų3892.6 Ų92.617%0.16544%0.438CS..THydrogen-bonded Turntrans-57.1-24.2178.6-167.6179.2178.1-1730114.1T69 M71 E82 L83 K84 S88 W91T69-K86 PolarHBondContact OG1-NZ 3.49Å; M71-K86 HydrophobicContact SD-CD 4.41Å; E82-K86 PolarHBondContact O-N 2.89Å; L83-K86 VanDerWaalsContact O-CB 3.28Å; L83-K86 WeakPolarHBondContact O-CB 3.34Å; L83-K86 PolarHBondContact O-N 3.42Å; K84-K86 VanDerWaalsContact C-N 3.26Å; K84-K86 PolarHBondContact O-N 3.29Å; K86-S88 PolarHBondContact O-N 3.33Å; K86-S88 VanDerWaalsContact O-N 3.1Å; K86-W91 HydrophobicContact CG-CB 4.48Å; K86-W91 HydrophobicContact CG-CD2 3.83Å; K86-W91 HydrophobicContact CG-CE3 4.03Å; K86-W91 HydrophobicContact CG-CG 4.01Å; K86-W91 VanDerWaalsContact O-CD1 3.28Å
87N61.9Low65.5Low167 Ų16796.4 Ų96.489%0.89346%0.459SS*.THydrogen-bonded Turntrans-64.9-10.7174.7-126.820.6000113.1N85 W89N85-N87 PolarHBondContact O-N 2.88Å; N85-N87 VanDerWaalsContact O-N 3.09Å; N87-W89 PolarHBondContact O-N 3.19Å
88S54.2Low63.6Low39 Ų3994.2 Ų94.227%0.27344%0.443SS..SBendtrans-77.9115.4171-1600000109.8N85 K86 L90 W91N85-S88 VanDerWaalsContact O-CB 3.22Å; N85-S88 WeakPolarHBondContact O-CB 3.25Å; N85-S88 PolarHBondContact O-N 3.01Å; K86-S88 PolarHBondContact O-N 3.33Å; K86-S88 VanDerWaalsContact O-N 3.1Å; S88-L90 PolarHBondContact O-N 3.29Å; S88-W91 VanDerWaalsContact O-CB 3.32Å; S88-W91 WeakPolarHBondContact O-CB 3.43Å; S88-W91 PolarHBondContact O-N 3.24Å
89W58.8Low61.9Low198 Ų19892.3 Ų92.375%0.7544%0.435SS*.THydrogen-bonded Turntrans-51.3-16.9-177.469.3-76.4000116.1N87 F92N87-W89 PolarHBondContact O-N 3.19Å; W89-F92 WeakPolarHBondContact O-CD1 3.19Å; W89-F92 WeakPolarHBondContact O-CE1 3.4Å
90L57.2Low60.5Low57 Ų5798.9 Ų98.930%0.29846%0.464SS..THydrogen-bonded Turntrans-93.611.3175.2-63.9170.3000114.2S88 F92 L93S88-L90 PolarHBondContact O-N 3.29Å; L90-F92 PolarHBondContact O-N 2.91Å; L90-F92 VanDerWaalsContact O-N 3.14Å; L90-L93 HydrophobicContact CB-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD1 3.65Å; L90-L93 PolarHBondContact O-N 2.99Å
91W58.1Low59.2Low78 Ų7898.4 Ų98.430%0.29546%0.462SS..Hα-helixtrans-55.8-32.4-177.367.6-85.8000113.1T69 K86 S88 L93 R94 L98T69-W91 HydrophobicContact CG2-CH2 4.4Å; K86-W91 HydrophobicContact CG-CB 4.48Å; K86-W91 HydrophobicContact CG-CD2 3.83Å; K86-W91 HydrophobicContact CG-CE3 4.03Å; K86-W91 HydrophobicContact CG-CG 4.01Å; K86-W91 VanDerWaalsContact O-CD1 3.28Å; S88-W91 VanDerWaalsContact O-CB 3.32Å; S88-W91 WeakPolarHBondContact O-CB 3.43Å; S88-W91 PolarHBondContact O-N 3.24Å; W91-L93 VanDerWaalsContact C-N 3.29Å; W91-L93 PolarHBondContact O-N 3.48Å; W91-R94 PolarHBondContact O-N 2.65Å; W91-L98 HydrophobicContact CE3-CD1 3.46Å; W91-L98 VanDerWaalsContact CE3-CD1 3.46Å; W91-L98 HydrophobicContact CH2-CD1 4.21Å; W91-L98 HydrophobicContact CZ3-CD1 3.2Å; W91-L98 HydrophobicContact CZ3-CD2 3.92Å; W91-L98 HydrophobicContact CZ3-CG 4.15Å
92F58.2Low58.2Low95 Ų9594.3 Ų94.342%0.41745%0.446SS..Hα-helixtrans-65.5-25176.971.2-88.6000114.2W89 L90W89-F92 WeakPolarHBondContact O-CD1 3.19Å; W89-F92 WeakPolarHBondContact O-CE1 3.4Å; L90-F92 PolarHBondContact O-N 2.91Å; L90-F92 VanDerWaalsContact O-N 3.14Å
93L57.2Low58Low117 Ų11793.1 Ų93.161%0.61345%0.445SS*.Hα-helixtrans-78.7-25.3175.8-67.7175.5000112.4L90 W91L90-L93 HydrophobicContact CB-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD1 3.65Å; L90-L93 PolarHBondContact O-N 2.99Å; W91-L93 VanDerWaalsContact C-N 3.29Å; W91-L93 PolarHBondContact O-N 3.48Å
94R53.1Low58Low158 Ų15891.4 Ų91.460%0.59644%0.436SS*.Hα-helixtrans-80.6-24.5-174.9-85.8-178176.9129.70.5113.4W91W91-R94 PolarHBondContact O-N 2.65Å
95S48.5Very low58.3Low26 Ų2685.4 Ų85.418%0.18241%0.413CS..  trans-131.197.7-176.6-57.30000110.8D97 L98S95-D97 PolarHBondContact O-N 2.9Å; S95-L98 WeakPolarHBondContact O-CD1 3.37Å; S95-L98 WeakPolarHBondContact O-CG 3.34Å
96P48.7Very low58.8Low89 Ų8981.8 Ų81.858%0.57839%0.394SS*.G310 helixtrans-59.5-33.9168.821.8-29.8000111.2L98 F99P96-L98 PolarHBondContact O-N 3.43Å; P96-F99 HydrophobicContact CB-CE2 3.88Å; P96-F99 HydrophobicContact CB-CZ 4.49Å; P96-F99 WeakPolarHBondContact O-CD2 3.45Å; P96-F99 WeakPolarHBondContact O-CE2 3.19Å; P96-F99 VanDerWaalsContact O-CG 3.29Å; P96-F99 WeakPolarHBondContact O-CG 3.32Å; P96-F99 PolarHBondContact O-N 3.45Å; P96-F99 VanDerWaalsContact O-N 3.15Å
97D47.9Very low59.8Low98 Ų9881 Ų8152%0.52439%0.39SS..G310 helixtrans-68.35.7-176.8-82.1-38.1000116.4S95 F99S95-D97 PolarHBondContact O-N 2.9Å; D97-F99 PolarHBondContact O-N 3.45Å
98L44.3Very low61Low45 Ų4576 Ų7624%0.23637%0.365CS..G310 helixtrans-70.1-4.7163.7-64.5167.8000112.8M71 W91 S95 P96 K100M71-L98 HydrophobicContact CB-CD2 4.25Å; M71-L98 HydrophobicContact CG-CD2 3.5Å; M71-L98 HydrophobicContact SD-CD2 3.83Å; W91-L98 HydrophobicContact CE3-CD1 3.46Å; W91-L98 VanDerWaalsContact CE3-CD1 3.46Å; W91-L98 HydrophobicContact CH2-CD1 4.21Å; W91-L98 HydrophobicContact CZ3-CD1 3.2Å; W91-L98 HydrophobicContact CZ3-CD2 3.92Å; W91-L98 HydrophobicContact CZ3-CG 4.15Å; S95-L98 WeakPolarHBondContact O-CD1 3.37Å; S95-L98 WeakPolarHBondContact O-CG 3.34Å; P96-L98 PolarHBondContact O-N 3.43Å; L98-K100 PolarHBondContact O-N 3.34Å
99F47.1Very low62.5Low93 Ų9377 Ų7741%0.40837%0.368SS..SBendtrans-42.5131.3160.7-64-56.8000107.5P96 D97 R101 F199P96-F99 HydrophobicContact CB-CE2 3.88Å; P96-F99 HydrophobicContact CB-CZ 4.49Å; P96-F99 WeakPolarHBondContact O-CD2 3.45Å; P96-F99 WeakPolarHBondContact O-CE2 3.19Å; P96-F99 VanDerWaalsContact O-CG 3.29Å; P96-F99 WeakPolarHBondContact O-CG 3.32Å; P96-F99 PolarHBondContact O-N 3.45Å; P96-F99 VanDerWaalsContact O-N 3.15Å; D97-F99 PolarHBondContact O-N 3.45Å; F99-R101 PolarHBondContact O-N 3.5Å; F99-F199 AromaticContact CD1-CE1 3.81Å; F99-F199 HydrophobicContact CD1-CE1 3.81Å; F99-F199 AromaticContact CD1-CZ 3.63Å; F99-F199 HydrophobicContact CD1-CZ 3.63Å; F99-F199 AromaticContact CE1-CE1 3.94Å; F99-F199 HydrophobicContact CE1-CE1 3.94Å; F99-F199 AromaticContact CE1-CZ 3.48Å; F99-F199 HydrophobicContact CE1-CZ 3.48Å; F99-F199 VanDerWaalsContact CE1-CZ 3.48Å
100K50.9Low63.8Low139 Ų13967.9 Ų67.960%0.60433%0.334SS*.  trans-61.273.9177.2-169.1-176.1179.2177.60108.2Y68 M70 L98 T102Y68-K100 VanDerWaalsContact OH-CE 3.26Å; Y68-K100 WeakPolarHBondContact OH-CE 3.46Å; Y68-K100 PolarHBondContact OH-NZ 2.89Å; Y68-K100 VanDerWaalsContact OH-NZ 3.1Å; M70-K100 HydrophobicContact CE-CG 4.13Å; L98-K100 PolarHBondContact O-N 3.34Å; K100-T102 HydrophobicContact CD-CG2 4.42Å; K100-T102 HydrophobicContact CG-CG2 3.98Å; K100-T102 PolarHBondContact O-N 3.37Å
101R52.9Low65.2Low99 Ų9967 Ų6737%0.37433%0.328SS..  trans-7878.3-179.4-154.6-165.3-135.8-110.16.7103.3F72 F99 T103 D105F72-R101 HydrophobicContact CD2-CB 4.04Å; F72-R101 HydrophobicContact CE2-CB 4Å; F72-R101 WeakPolarHBondContact CE2-O 3.3Å; F72-R101 WeakPolarHBondContact CZ-O 3.48Å; F99-R101 PolarHBondContact O-N 3.5Å; R101-T103 WeakPolarHBondContact CD-O 3.39Å; R101-T103 VanDerWaalsContact CG-O 3.3Å; R101-T103 WeakPolarHBondContact CG-O 3.39Å; R101-T103 PolarHBondContact O-N 3.42Å; R101-D105 IonicContact NH1-OD1 2.91Å; R101-D105 PolarHBondContact NH1-OD1 3.29Å
102T60.8Low66.5Low55 Ų5563.3 Ų63.334%0.33731%0.314SS..  trans-61.2-27.8176510000109.1S55 V56 K100S55-T102 CarbonylContact C-O 3.58Å; S55-T102 WeakPolarHBondContact CA-O 3.33Å; S55-T102 VanDerWaalsContact CB-O 3.25Å; S55-T102 WeakPolarHBondContact CB-O 3.48Å; V56-T102 PolarHBondContact N-O 2.9Å; K100-T102 HydrophobicContact CD-CG2 4.42Å; K100-T102 HydrophobicContact CG-CG2 3.98Å; K100-T102 PolarHBondContact O-N 3.37Å
103T70.5Confident67.7Low59 Ų5958.9 Ų58.936%0.36229%0.294SS..EExtended strand (participates in β ladder)trans-89.9117.7-178.957.30000113.1V54 R101V54-T103 CarbonylContact O-C 3.6Å; V54-T103 WeakPolarHBondContact O-CA 3.34Å; R101-T103 WeakPolarHBondContact CD-O 3.39Å; R101-T103 VanDerWaalsContact CG-O 3.3Å; R101-T103 WeakPolarHBondContact CG-O 3.39Å; R101-T103 PolarHBondContact O-N 3.42Å
104L76.9Confident68.9Low6 Ų653.3 Ų53.33%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-90.3149.4172-70.6152.9000110.4Y40 V54 V56 F72 P106 I112 L124Y40-L104 HydrophobicContact CG-CD1 4.42Å; V54-L104 HydrophobicContact CB-CB 4.44Å; V54-L104 HydrophobicContact CG1-CB 4.31Å; V54-L104 HydrophobicContact CG1-CD1 4.09Å; V54-L104 PolarHBondContact O-N 2.88Å; V56-L104 HydrophobicContact CG2-CD1 3.48Å; V56-L104 VanDerWaalsContact CG2-CD1 3.48Å; V56-L104 HydrophobicContact CG2-CG 4.27Å; F72-L104 HydrophobicContact CD1-CD2 3.61Å; F72-L104 HydrophobicContact CE1-CD2 3.73Å; F72-L104 HydrophobicContact CE1-CG 4.18Å; L104-P106 WeakPolarHBondContact O-CD 3.29Å; L104-I112 HydrophobicContact CD1-CD1 3.81Å; L104-I112 HydrophobicContact CD2-CD1 3.86Å; L104-I112 HydrophobicContact CD2-CG1 4.26Å; L104-I112 HydrophobicContact CG-CD1 4.41Å; L104-L124 HydrophobicContact CD1-CD2 4.15Å
105D82.1Confident70.2Confident62 Ų6250 Ų5033%0.33226%0.257SS..  trans-75.5115.7167.9-73.616.7000107.7R101 F107 T108R101-D105 IonicContact NH1-OD1 2.91Å; R101-D105 PolarHBondContact NH1-OD1 3.29Å; D105-F107 PolarHBondContact O-N 3.29Å; D105-T108 VanDerWaalsContact CB-OG1 3.27Å; D105-T108 WeakPolarHBondContact CB-OG1 3.38Å; D105-T108 PolarHBondContact O-N 3.32Å; D105-T108 PolarHBondContact O-OG1 2.88Å
106P82.1Confident71.8Confident0 Ų049 Ų490%025%0.25CC..THydrogen-bonded Turntrans-70.8-16.6-16824.7-33.3000114.7Y40 Q43 V54 L104 Q263Y40-P106 WeakPolarHBondContact OH-CA 3.39Å; Y40-P106 PolarHBondContact OH-O 2.73Å; Q43-P106 PolarHBondContact N-O 3Å; V54-P106 HydrophobicContact CG2-CB 3.79Å; L104-P106 WeakPolarHBondContact O-CD 3.29Å; P106-Q263 HydrophobicContact CG-CB 4.37Å
107F84.9Confident73.2Confident22 Ų2248.9 Ų48.910%0.09625%0.25CS..THydrogen-bonded Turntrans-100.8-4-174-54.4-65.7000113.7K45 Y49 D105 Q263 I264K45-F107 HydrophobicContact CB-CD1 4.37Å; K45-F107 HydrophobicContact CG-CB 4.15Å; K45-F107 HydrophobicContact CG-CD1 3.76Å; K45-F107 HydrophobicContact CG-CE1 4.45Å; K45-F107 HydrophobicContact CG-CG 4.05Å; Y49-F107 WeakPolarHBondContact O-CZ 3.49Å; D105-F107 PolarHBondContact O-N 3.29Å; F107-Q263 HydrophobicContact CD2-CB 4.47Å; F107-Q263 HydrophobicContact CE2-CB 3.85Å; F107-I264 HydrophobicContact CD2-CG1 3.75Å; F107-I264 HydrophobicContact CE1-CD1 4.27Å; F107-I264 HydrophobicContact CE1-CG1 4.35Å; F107-I264 HydrophobicContact CE2-CB 4.45Å; F107-I264 HydrophobicContact CE2-CD1 3.92Å; F107-I264 HydrophobicContact CE2-CG1 3.19Å; F107-I264 HydrophobicContact CZ-CD1 3.69Å; F107-I264 HydrophobicContact CZ-CG1 3.53Å
108T86.6Confident74.8Confident60 Ų6045.1 Ų45.137%0.36823%0.233SC..SBendtrans-111.7143.117950.30000110D105 S110D105-T108 VanDerWaalsContact CB-OG1 3.27Å; D105-T108 WeakPolarHBondContact CB-OG1 3.38Å; D105-T108 PolarHBondContact O-N 3.32Å; D105-T108 PolarHBondContact O-OG1 2.88Å; T108-S110 PolarHBondContact O-N 3.49Å
109N86.7Confident76.8Confident60 Ų6046 Ų4632%0.32124%0.238SC..  trans-72.8129.3172.3-75.5-21.9000108.3F39 K42F39-N109 HydrophobicContact CE2-CB 3.96Å; F39-N109 HydrophobicContact CZ-CB 4.22Å; K42-N109 WeakPolarHBondContact CB-OD1 3.34Å; K42-N109 WeakPolarHBondContact CG-OD1 3.49Å; K42-N109 PolarHBondContact N-OD1 3.21Å
110S85.9Confident78.6Confident7 Ų741.8 Ų41.85%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-135.8137.5-178.3-60.30000110.2Y40 T108Y40-S110 WeakPolarHBondContact CB-O 3.32Å; Y40-S110 PolarHBondContact N-O 2.9Å; Y40-S110 PolarHBondContact O-N 3.36Å; T108-S110 PolarHBondContact O-N 3.49Å
111Y86.2Confident80.3Confident40 Ų4040 Ų4016%0.15721%0.21CC..EExtended strand (participates in β ladder)trans-100.7139.1174-62.9-87.3000109.1V14 W38 F39 G73 L76 L79V14-Y111 HydrophobicContact CG1-CE1 4.44Å; W38-Y111 CarbonylContact O-C 3.51Å; W38-Y111 WeakPolarHBondContact O-CA 3.44Å; F39-Y111 HydrophobicContact CB-CD1 4.25Å; F39-Y111 HydrophobicContact CB-CE1 4.2Å; F39-Y111 AromaticContact CD2-CD1 3.71Å; F39-Y111 HydrophobicContact CD2-CD1 3.71Å; F39-Y111 AromaticContact CD2-CE1 3.27Å; F39-Y111 HydrophobicContact CD2-CE1 3.27Å; F39-Y111 HydrophobicContact CD2-CE2 4.22Å; F39-Y111 HydrophobicContact CD2-CG 4.34Å; F39-Y111 AromaticContact CD2-CZ 3.56Å; F39-Y111 AromaticContact CE2-CE1 3.94Å; F39-Y111 HydrophobicContact CE2-CE1 3.94Å; F39-Y111 HydrophobicContact CE2-CE2 4.24Å; F39-Y111 AromaticContact CE2-CZ 3.72Å; F39-Y111 HydrophobicContact CG-CD1 4.45Å; F39-Y111 HydrophobicContact CG-CE1 4.07Å; G73-Y111 PolarHBondContact N-O 2.74Å; G73-Y111 WeakPolarHBondContact O-CA 3.35Å; G73-Y111 WeakPolarHBondContact O-CB 3.28Å; G73-Y111 PolarHBondContact O-N 3.29Å; L76-Y111 HydrophobicContact CB-CD1 4.23Å; L76-Y111 HydrophobicContact CB-CD2 4.34Å; L76-Y111 HydrophobicContact CB-CE1 4.06Å; L76-Y111 HydrophobicContact CB-CE2 4.19Å; L76-Y111 HydrophobicContact CB-CG 4.36Å; L76-Y111 HydrophobicContact CD1-CD1 4.32Å; L76-Y111 HydrophobicContact CD1-CE1 3.97Å; L79-Y111 WeakPolarHBondContact CD1-O 3.17Å
112I85.7Confident82Confident0 Ų035.5 Ų35.50%019%0.193CC..EExtended strand (participates in β ladder)trans-128.4116.8-174.6-57156.3000106.9M21 W38 V56 M71 F72 L104 I114M21-I112 HydrophobicContact CE-CB 3.62Å; M21-I112 HydrophobicContact CE-CD1 3.23Å; M21-I112 HydrophobicContact CE-CG1 3.99Å; M21-I112 HydrophobicContact CE-CG2 3.88Å; M21-I112 HydrophobicContact SD-CD1 3.7Å; W38-I112 HydrophobicContact CB-CB 4.47Å; W38-I112 PolarHBondContact N-O 2.86Å; W38-I112 PolarHBondContact O-N 3.38Å; V56-I112 HydrophobicContact CG2-CD1 3.81Å; M71-I112 CarbonylContact O-C 3.58Å; M71-I112 VanDerWaalsContact O-CA 3.3Å; M71-I112 WeakPolarHBondContact O-CA 3.38Å; F72-I112 HydrophobicContact CD1-CD1 4.34Å; F72-I112 HydrophobicContact CD1-CG1 3.66Å; F72-I112 HydrophobicContact CD1-CG2 4.42Å; F72-I112 HydrophobicContact CE1-CD1 4.05Å; F72-I112 HydrophobicContact CE1-CG1 3.73Å; F72-I112 HydrophobicContact CE1-CG2 4.06Å; L104-I112 HydrophobicContact CD1-CD1 3.81Å; L104-I112 HydrophobicContact CD2-CD1 3.86Å; L104-I112 HydrophobicContact CD2-CG1 4.26Å; L104-I112 HydrophobicContact CG-CD1 4.41Å; I112-I114 HydrophobicContact CG2-CD1 4.31Å; I112-I114 HydrophobicContact CG2-CG1 3.97Å
113A82.9Confident83.2Confident2 Ų233.7 Ų33.72%0.01718%0.182CC..EExtended strand (participates in β ladder)trans-100.7126173.100000109.3I37 M70 M71 L79 L83I37-A113 HydrophobicContact CG1-CB 4.46Å; M70-A113 CarbonylContact C-O 3.54Å; M70-A113 WeakPolarHBondContact CA-O 3.1Å; M71-A113 HydrophobicContact CE-CB 4.31Å; M71-A113 PolarHBondContact N-O 3.24Å; M71-A113 PolarHBondContact O-N 3.44Å; L79-A113 HydrophobicContact CD1-CB 4.21Å; L79-A113 HydrophobicContact CD2-CB 3.59Å; L79-A113 HydrophobicContact CG-CB 4.29Å; L83-A113 HydrophobicContact CD1-CB 4.34Å
114I82.7Confident84Confident0 Ų031.4 Ų31.40%017%0.168CC..EExtended strand (participates in β ladder)trans-117.4122177.8-54.9-176.8000108.3S36 V58 M70 I112 Y120 I122S36-I114 PolarHBondContact N-O 2.73Å; S36-I114 PolarHBondContact O-N 2.86Å; V58-I114 HydrophobicContact CG2-CD1 4.04Å; M70-I114 HydrophobicContact CG-CD1 4.39Å; M70-I114 HydrophobicContact CG-CG1 4.1Å; M70-I114 HydrophobicContact CG-CG2 4.47Å; M70-I114 HydrophobicContact SD-CD1 4.3Å; I112-I114 HydrophobicContact CG2-CD1 4.31Å; I112-I114 HydrophobicContact CG2-CG1 3.97Å; I114-Y120 HydrophobicContact CD1-CE2 4.37Å; I114-Y120 HydrophobicContact CG2-CE1 4.37Å; I114-Y120 HydrophobicContact CG2-CE2 4.11Å; I114-I122 HydrophobicContact CD1-CD1 3.43Å; I114-I122 VanDerWaalsContact CD1-CD1 3.43Å; I114-I122 HydrophobicContact CD1-CG1 4.32Å
115H80.3Confident84.5Confident89 Ų8936.3 Ų36.341%0.41219%0.19SC..EExtended strand (participates in β ladder)trans-114.7116.1168.1-177.368.2000107.8G34 Y68 T69G34-H115 PolarHBondContact O-ND1 3.03Å; Y68-H115 CarbonylContact C-O 3.53Å; Y68-H115 VanDerWaalsContact CA-O 3.28Å; Y68-H115 WeakPolarHBondContact CA-O 3.45Å; T69-H115 PolarHBondContact N-O 3.16Å; T69-H115 PolarHBondContact O-N 3.42Å; T69-H115 PolarHBondContact OG1-O 3.14Å
116S81.1Confident84.8Confident5 Ų535.6 Ų35.64%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-122.7154.7-179.8178.20000109.2I30 F60 A118I30-S116 WeakPolarHBondContact CD1-O 3.46Å; F60-S116 VanDerWaalsContact CE1-OG 3.28Å; F60-S116 WeakPolarHBondContact CE1-OG 3.36Å; S116-A118 PolarHBondContact OG-N 2.98Å; S116-A118 VanDerWaalsContact OG-N 3.12Å; S116-A118 PolarHBondContact OG-O 2.81Å
117S78.8Confident85Confident85 Ų8538.4 Ų38.459%0.59420%0.201SC*.SBendtrans-87.2-21.3169.162.30000113.6K67K67-S117 PolarHBondContact N-OG 3.43Å; K67-S117 PolarHBondContact O-N 2.99Å; K67-S117 PolarHBondContact O-OG 3.33Å
118A82.1Confident85Confident19 Ų1944 Ų4416%0.15723%0.228CC..SBendtrans-129.3146.9-174.400000111.8I30 V63 A66 S116 Y120I30-A118 VanDerWaalsContact CD1-N 3.28Å; I30-A118 WeakPolarHBondContact CD1-O 3.23Å; V63-A118 HydrophobicContact CG1-CB 4.36Å; A66-A118 HydrophobicContact CB-CB 3.94Å; S116-A118 PolarHBondContact OG-N 2.98Å; S116-A118 VanDerWaalsContact OG-N 3.12Å; S116-A118 PolarHBondContact OG-O 2.81Å; A118-Y120 WeakPolarHBondContact O-CD1 3.45Å
119N86.2Confident85Confident65 Ų6545.1 Ų45.135%0.34823%0.228SC..  trans-53.9141.2-178.8-69.8-9000110.8F27 D29 I30F27-N119 HydrophobicContact CE2-CB 3.87Å; F27-N119 HydrophobicContact CZ-CB 3.92Å; D29-N119 PolarHBondContact OD1-ND2 3Å; D29-N119 PolarHBondContact OD1-OD1 3.2Å; I30-N119 WeakPolarHBondContact CB-OD1 3.38Å; I30-N119 PolarHBondContact N-OD1 3.22Å
120Y85.4Confident85.1Confident3 Ų343.9 Ų43.91%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-143.8154.4-171.661.8-85.4000112.6V28 I30 S36 V58 D59 F60 I114 A118 I122V28-Y120 HydrophobicContact CB-CD1 4.5Å; V28-Y120 HydrophobicContact CB-CD2 4.38Å; V28-Y120 HydrophobicContact CB-CE1 4.08Å; V28-Y120 HydrophobicContact CB-CE2 3.95Å; V28-Y120 HydrophobicContact CG1-CE1 4.11Å; V28-Y120 HydrophobicContact CG1-CE2 4.48Å; V28-Y120 HydrophobicContact CG2-CD2 4.43Å; V28-Y120 HydrophobicContact CG2-CE2 3.84Å; V28-Y120 PolarHBondContact N-O 3.16Å; V28-Y120 PolarHBondContact O-N 3.06Å; I30-Y120 HydrophobicContact CD1-CD1 4.42Å; I30-Y120 HydrophobicContact CD1-CE1 4.48Å; I30-Y120 HydrophobicContact CG1-CE1 4.36Å; S36-Y120 PolarHBondContact OG-OH 3.12Å; V58-Y120 HydrophobicContact CG1-CD2 3.85Å; V58-Y120 HydrophobicContact CG1-CG 4.1Å; D59-Y120 WeakPolarHBondContact O-CA 3.12Å; F60-Y120 HydrophobicContact CE1-CD1 4.39Å; F60-Y120 HydrophobicContact CE1-CG 4.18Å; I114-Y120 HydrophobicContact CD1-CE2 4.37Å; I114-Y120 HydrophobicContact CG2-CE1 4.37Å; I114-Y120 HydrophobicContact CG2-CE2 4.11Å; A118-Y120 WeakPolarHBondContact O-CD1 3.45Å; Y120-I122 HydrophobicContact CD2-CB 4.26Å; Y120-I122 HydrophobicContact CE2-CB 4.25Å
121Y86.5Confident85.4Confident102 Ų10249.7 Ų49.740%0.425%0.251SS..EExtended strand (participates in β ladder)trans-99.7131167.2-63.9-87.5000108.7R26 F27 V58 D59R26-Y121 WeakPolarHBondContact O-CA 3.29Å; F27-Y121 HydrophobicContact CB-CD1 3.98Å; F27-Y121 HydrophobicContact CB-CE1 3.67Å; F27-Y121 HydrophobicContact CD2-CD1 4.1Å; F27-Y121 HydrophobicContact CD2-CD2 4.45Å; F27-Y121 AromaticContact CD2-CE1 3.61Å; F27-Y121 HydrophobicContact CD2-CE1 3.61Å; F27-Y121 AromaticContact CD2-CE2 3.98Å; F27-Y121 HydrophobicContact CD2-CE2 3.98Å; F27-Y121 HydrophobicContact CD2-CG 4.5Å; F27-Y121 AromaticContact CD2-CZ 3.53Å; F27-Y121 HydrophobicContact CE2-CE2 4.41Å; F27-Y121 HydrophobicContact CG-CE1 4.04Å; V58-Y121 WeakPolarHBondContact CA-O 3.31Å; D59-Y121 PolarHBondContact N-O 3.48Å; D59-Y121 PolarHBondContact O-N 3.36Å
122I87.1Confident85.6Confident5 Ų555.3 Ų55.33%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-114.3130.5175.2-171.3177.2000109.7M21 P25 R26 V28 W38 V56 I114 Y120M21-I122 HydrophobicContact CE-CD1 3.37Å; M21-I122 HydrophobicContact CE-CG1 4.42Å; M21-I122 HydrophobicContact SD-CD1 4.1Å; P25-I122 WeakPolarHBondContact CA-O 3.43Å; R26-I122 HydrophobicContact CB-CG2 4.28Å; R26-I122 PolarHBondContact N-O 2.89Å; R26-I122 PolarHBondContact O-N 3.41Å; V28-I122 HydrophobicContact CG2-CG2 4.23Å; W38-I122 HydrophobicContact CD2-CD1 4.02Å; W38-I122 HydrophobicContact CD2-CG2 4.35Å; W38-I122 HydrophobicContact CG-CD1 3.93Å; W38-I122 HydrophobicContact CH2-CG2 3.8Å; W38-I122 HydrophobicContact CZ2-CG2 3.43Å; W38-I122 VanDerWaalsContact CZ2-CG2 3.43Å; W38-I122 HydrophobicContact CZ3-CG2 4.4Å; V56-I122 HydrophobicContact CG1-CD1 4.27Å; V56-I122 HydrophobicContact CG1-CG1 4.1Å; I114-I122 HydrophobicContact CD1-CD1 3.43Å; I114-I122 VanDerWaalsContact CD1-CD1 3.43Å; I114-I122 HydrophobicContact CD1-CG1 4.32Å; Y120-I122 HydrophobicContact CD2-CB 4.26Å; Y120-I122 HydrophobicContact CE2-CB 4.25Å
123S87.1Confident85.8Confident16 Ų1656.4 Ų56.411%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-140.4150.8175.759.10000110.9N57N57-S123 PolarHBondContact N-O 2.92Å; N57-S123 PolarHBondContact O-N 3.46Å
124L86.1Confident86.3Confident11 Ų1159.3 Ų59.36%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-88.5113.4167.1-72.8172.3000109.7M21 T22 T23 Y40 V54 V56 L104 I126M21-L124 HydrophobicContact CB-CD1 3.54Å; M21-L124 HydrophobicContact CB-CD2 4.37Å; M21-L124 HydrophobicContact CB-CG 3.84Å; M21-L124 HydrophobicContact SD-CD2 3.71Å; M21-L124 HydrophobicContact SD-CG 4.06Å; T22-L124 PolarHBondContact O-N 2.94Å; T23-L124 HydrophobicContact CG2-CB 4.5Å; Y40-L124 HydrophobicContact CD2-CD1 3.81Å; Y40-L124 HydrophobicContact CD2-CD2 4.24Å; Y40-L124 HydrophobicContact CE2-CD1 4.11Å; V54-L124 HydrophobicContact CG1-CD2 4.16Å; V56-L124 HydrophobicContact CG2-CD2 4.34Å; L104-L124 HydrophobicContact CD1-CD2 4.15Å; L124-I126 HydrophobicContact CB-CG1 4.21Å; L124-I126 PolarHBondContact O-N 3.43Å
125H88.9Confident86.9Confident109 Ų10961 Ų6151%0.50531%0.312SS..EExtended strand (participates in β ladder)trans-85.9102.2167-177.4-88.6000108.8S55S55-H125 PolarHBondContact N-O 3.34Å; S55-H125 PolarHBondContact O-N 3.49Å; S55-H125 PolarHBondContact OG-O 2.91Å
126I86.8Confident87.6Confident47 Ų4757.6 Ų57.624%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-99.6111.9179.3-58.9179.6000108T23 K52 V54 L124T23-I126 HydrophobicContact CG2-CD1 3.5Å; T23-I126 VanDerWaalsContact CG2-CD1 3.5Å; T23-I126 HydrophobicContact CG2-CG1 4Å; K52-I126 HydrophobicContact CD-CG2 4.37Å; K52-I126 HydrophobicContact CG-CG2 4.44Å; V54-I126 HydrophobicContact CG1-CG1 4.42Å; V54-I126 HydrophobicContact CG2-CG1 4.37Å; V54-I126 HydrophobicContact CG2-CG2 4.31Å; L124-I126 HydrophobicContact CB-CG1 4.21Å; L124-I126 PolarHBondContact O-N 3.43Å
127N87.1Confident88.2Confident59 Ų5958 Ų5832%0.31630%0.3SS..EExtended strand (participates in β ladder)trans-91.3106.1167.4-172.829000108.7K52 S53 F129 D130K52-N127 WeakPolarHBondContact CG-O 3.1Å; S53-N127 PolarHBondContact N-O 3.47Å; S53-N127 PolarHBondContact O-N 3.35Å; N127-F129 PolarHBondContact ND2-O 3.5Å; N127-F129 VanDerWaalsContact ND2-O 3.1Å; N127-F129 PolarHBondContact O-N 2.95Å; N127-F129 PolarHBondContact OD1-O 2.87Å; N127-D130 VanDerWaalsContact ND2-CA 3.28Å; N127-D130 WeakPolarHBondContact ND2-CA 3.34Å; N127-D130 PolarHBondContact ND2-N 3.17Å
128E85.2Confident89.1Confident140 Ų14057.9 Ų57.965%0.65429%0.292SS*.SBendtrans-58.3-35.4-176.7-64.3-165.4155.800112.6
129F86.7Confident89.7Confident84 Ų8462.7 Ų62.737%0.36831%0.309SS..  trans-139.1107.6179.1-170.2-104.4000111.1N127 L131 F134N127-F129 PolarHBondContact ND2-O 3.5Å; N127-F129 VanDerWaalsContact ND2-O 3.1Å; N127-F129 PolarHBondContact O-N 2.95Å; N127-F129 PolarHBondContact OD1-O 2.87Å; F129-L131 HydrophobicContact CD1-CD2 4.21Å; F129-L131 HydrophobicContact CD1-CG 4.07Å; F129-L131 HydrophobicContact CE1-CD2 3.86Å; F129-L131 HydrophobicContact CE1-CG 4.18Å; F129-L131 PolarHBondContact O-N 2.92Å; F129-F134 HydrophobicContact CE1-CB 4.03Å; F129-F134 AromaticContact CE1-CD1 4Å; F129-F134 HydrophobicContact CE1-CD1 4Å; F129-F134 HydrophobicContact CE1-CG 4.06Å; F129-F134 HydrophobicContact CE2-CB 4Å; F129-F134 HydrophobicContact CE2-CD1 4.36Å; F129-F134 AromaticContact CE2-CD2 3.85Å; F129-F134 HydrophobicContact CE2-CD2 3.85Å; F129-F134 HydrophobicContact CE2-CE2 4.4Å; F129-F134 AromaticContact CE2-CG 3.81Å; F129-F134 HydrophobicContact CE2-CG 3.81Å; F129-F134 HydrophobicContact CZ-CB 3.53Å; F129-F134 AromaticContact CZ-CD1 3.38Å; F129-F134 HydrophobicContact CZ-CD1 3.38Å; F129-F134 AromaticContact CZ-CD2 3.68Å; F129-F134 HydrophobicContact CZ-CD2 3.68Å; F129-F134 AromaticContact CZ-CE1 3.92Å; F129-F134 HydrophobicContact CZ-CE1 3.92Å; F129-F134 HydrophobicContact CZ-CE2 4.2Å; F129-F134 AromaticContact CZ-CG 3.22Å; F129-F134 HydrophobicContact CZ-CG 3.22Å; F129-F134 HydrophobicContact CZ-CZ 4.3Å
130D89.1Confident90.3Very high34 Ų3459.6 Ų59.618%0.18229%0.293CS..  trans-82.499.1173.7-164.6-35.6000110.5W51 N127 F132 M133 F134W51-D130 WeakPolarHBondContact O-CB 3.1Å; W51-D130 PolarHBondContact O-N 2.94Å; N127-D130 VanDerWaalsContact ND2-CA 3.28Å; N127-D130 WeakPolarHBondContact ND2-CA 3.34Å; N127-D130 PolarHBondContact ND2-N 3.17Å; D130-F132 PolarHBondContact O-N 3.32Å; D130-F132 WeakPolarHBondContact OD1-CB 3.47Å; D130-F132 PolarHBondContact OD1-N 3.11Å; D130-M133 HydrophobicContact CB-CB 4.02Å; D130-M133 HydrophobicContact CB-CG 3.95Å; D130-M133 HydrophobicContact CB-SD 4.08Å; D130-M133 PolarHBondContact O-N 2.94Å; D130-M133 PolarHBondContact OD1-N 3.23Å; D130-F134 WeakPolarHBondContact O-CB 3.46Å; D130-F134 PolarHBondContact O-N 3.05Å
131L90.7Very high90.8Very high129 Ų12962 Ų6268%0.67531%0.305SS*.Hα-helixtrans-54.4-33.5177-81.7158.4000112.9F129 G135F129-L131 HydrophobicContact CD1-CD2 4.21Å; F129-L131 HydrophobicContact CD1-CG 4.07Å; F129-L131 HydrophobicContact CE1-CD2 3.86Å; F129-L131 HydrophobicContact CE1-CG 4.18Å; F129-L131 PolarHBondContact O-N 2.92Å; L131-G135 WeakPolarHBondContact O-CA 3.47Å; L131-G135 PolarHBondContact O-N 3.3Å
132F90.6Very high91.2Very high158 Ų15858.7 Ų58.769%0.69330%0.299SS*.Hα-helixtrans-73.4-47.1-179.2-179.2-97.3000110.7D130 G135 S136D130-F132 PolarHBondContact O-N 3.32Å; D130-F132 WeakPolarHBondContact OD1-CB 3.47Å; D130-F132 PolarHBondContact OD1-N 3.11Å; F132-G135 PolarHBondContact O-N 2.73Å; F132-S136 WeakPolarHBondContact O-CB 3.34Å; F132-S136 PolarHBondContact O-N 2.84Å; F132-S136 PolarHBondContact O-OG 3.25Å
133M91.3Very high91.6Very high22 Ų2259.3 Ų59.311%0.10830%0.303CS..Hα-helixtrans-63.7-41.1176.4-64.6-173.56400112.1D130 S136 T137 N261 Q263D130-M133 HydrophobicContact CB-CB 4.02Å; D130-M133 HydrophobicContact CB-CG 3.95Å; D130-M133 HydrophobicContact CB-SD 4.08Å; D130-M133 PolarHBondContact O-N 2.94Å; D130-M133 PolarHBondContact OD1-N 3.23Å; M133-S136 WeakPolarHBondContact CA-OG 3.5Å; M133-S136 PolarHBondContact O-OG 2.86Å; M133-T137 WeakPolarHBondContact O-CB 3.41Å; M133-T137 PolarHBondContact O-N 3.35Å; M133-T137 VanDerWaalsContact O-N 3.08Å; M133-T137 PolarHBondContact O-OG1 3.36Å; M133-N261 WeakPolarHBondContact CE-O 3.27Å; M133-Q263 HydrophobicContact CE-CG 3.72Å
134F93.5Very high92Very high64 Ų6459.5 Ų59.528%0.28130%0.301SS..Hα-helixtrans-66-49.3175.7-179.2-105.2000111.2W51 F129 D130 S136 T137 I138W51-F134 HydrophobicContact CB-CB 4.24Å; W51-F134 HydrophobicContact CD2-CB 4.47Å; W51-F134 AromaticContact CD2-CD2 3.56Å; W51-F134 HydrophobicContact CD2-CD2 3.56Å; W51-F134 HydrophobicContact CD2-CE2 4.34Å; W51-F134 AromaticContact CE2-CD2 3.66Å; W51-F134 AromaticContact CE3-CD2 3.78Å; W51-F134 HydrophobicContact CE3-CD2 3.78Å; W51-F134 HydrophobicContact CE3-CE2 4.21Å; W51-F134 HydrophobicContact CG-CB 4.01Å; W51-F134 HydrophobicContact CG-CD2 4Å; W51-F134 HydrophobicContact CH2-CD2 4.17Å; W51-F134 HydrophobicContact CH2-CE2 4.01Å; W51-F134 AromaticContact CZ2-CD2 3.97Å; W51-F134 HydrophobicContact CZ2-CD2 3.97Å; W51-F134 HydrophobicContact CZ2-CE2 4.14Å; W51-F134 HydrophobicContact CZ3-CD2 4.08Å; W51-F134 HydrophobicContact CZ3-CE2 4.05Å; F129-F134 HydrophobicContact CE1-CB 4.03Å; F129-F134 AromaticContact CE1-CD1 4Å; F129-F134 HydrophobicContact CE1-CD1 4Å; F129-F134 HydrophobicContact CE1-CG 4.06Å; F129-F134 HydrophobicContact CE2-CB 4Å; F129-F134 HydrophobicContact CE2-CD1 4.36Å; F129-F134 AromaticContact CE2-CD2 3.85Å; F129-F134 HydrophobicContact CE2-CD2 3.85Å; F129-F134 HydrophobicContact CE2-CE2 4.4Å; F129-F134 AromaticContact CE2-CG 3.81Å; F129-F134 HydrophobicContact CE2-CG 3.81Å; F129-F134 HydrophobicContact CZ-CB 3.53Å; F129-F134 AromaticContact CZ-CD1 3.38Å; F129-F134 HydrophobicContact CZ-CD1 3.38Å; F129-F134 AromaticContact CZ-CD2 3.68Å; F129-F134 HydrophobicContact CZ-CD2 3.68Å; F129-F134 AromaticContact CZ-CE1 3.92Å; F129-F134 HydrophobicContact CZ-CE1 3.92Å; F129-F134 HydrophobicContact CZ-CE2 4.2Å; F129-F134 AromaticContact CZ-CG 3.22Å; F129-F134 HydrophobicContact CZ-CG 3.22Å; F129-F134 HydrophobicContact CZ-CZ 4.3Å; D130-F134 WeakPolarHBondContact O-CB 3.46Å; D130-F134 PolarHBondContact O-N 3.05Å; F134-S136 VanDerWaalsContact C-N 3.33Å; F134-S136 PolarHBondContact O-N 2.95Å; F134-T137 WeakPolarHBondContact O-CB 3.05Å; F134-T137 PolarHBondContact O-N 3.05Å; F134-T137 VanDerWaalsContact O-N 3.11Å; F134-I138 HydrophobicContact CD1-CG1 4.14Å; F134-I138 HydrophobicContact CD2-CG1 4.49Å; F134-I138 HydrophobicContact CE1-CD1 4.35Å; F134-I138 HydrophobicContact CE1-CG1 3.73Å; F134-I138 HydrophobicContact CE2-CD1 4.18Å; F134-I138 HydrophobicContact CE2-CG1 4.11Å; F134-I138 HydrophobicContact CZ-CD1 3.86Å; F134-I138 HydrophobicContact CZ-CG1 3.72Å; F134-I138 WeakPolarHBondContact O-CG1 3.45Å; F134-I138 PolarHBondContact O-N 2.82Å
135G95.3Very high92.4Very high36 Ų3664.8 Ų64.837%0.37132%0.324SS..Hα-helixtrans-59.8-40.5179.500000112.8L131 F132 I138 F139L131-G135 WeakPolarHBondContact O-CA 3.47Å; L131-G135 PolarHBondContact O-N 3.3Å; F132-G135 PolarHBondContact O-N 2.73Å; G135-I138 PolarHBondContact O-N 3.08Å; G135-F139 VanDerWaalsContact O-CB 3.25Å; G135-F139 WeakPolarHBondContact O-CB 3.31Å; G135-F139 PolarHBondContact O-N 3.16Å
136S94.5Very high92.7Very high17 Ų1764.3 Ų64.312%0.11932%0.323CS..Hα-helixtrans-70.1-32175.762.20000112.8F132 M133 F134 G140 N261F132-S136 WeakPolarHBondContact O-CB 3.34Å; F132-S136 PolarHBondContact O-N 2.84Å; F132-S136 PolarHBondContact O-OG 3.25Å; M133-S136 WeakPolarHBondContact CA-OG 3.5Å; M133-S136 PolarHBondContact O-OG 2.86Å; F134-S136 VanDerWaalsContact C-N 3.33Å; F134-S136 PolarHBondContact O-N 2.95Å; S136-G140 PolarHBondContact O-N 2.93Å; S136-N261 WeakPolarHBondContact OG-CB 3.37Å; S136-N261 PolarHBondContact OG-ND2 3.03Å; S136-N261 PolarHBondContact OG-OD1 2.99Å
137T94.4Very high93Very high13 Ų1362.1 Ų62.18%0.0831%0.312CS..Hα-helixtrans-66.8-47.5172.4-57.10000111W51 M133 F134 F139 G140 L141 V258 N261W51-T137 HydrophobicContact CZ2-CG2 4.03Å; W51-T137 PolarHBondContact NE1-OG1 3.42Å; M133-T137 WeakPolarHBondContact O-CB 3.41Å; M133-T137 PolarHBondContact O-N 3.35Å; M133-T137 VanDerWaalsContact O-N 3.08Å; M133-T137 PolarHBondContact O-OG1 3.36Å; F134-T137 WeakPolarHBondContact O-CB 3.05Å; F134-T137 PolarHBondContact O-N 3.05Å; F134-T137 VanDerWaalsContact O-N 3.11Å; T137-F139 VanDerWaalsContact C-N 3.31Å; T137-F139 PolarHBondContact O-N 3.06Å; T137-G140 PolarHBondContact O-N 3.33Å; T137-L141 WeakPolarHBondContact O-CB 3.43Å; T137-L141 PolarHBondContact O-N 3.3Å; T137-V258 HydrophobicContact CG2-CG1 4.23Å; T137-V258 HydrophobicContact CG2-CG2 4.29Å; T137-N261 PolarHBondContact OG1-O 2.83Å
138I95.8Very high93.3Very high83 Ų8362.7 Ų62.743%0.42632%0.315SS..Hα-helixtrans-61.4-42.1175.2-66.8-62.6000110.7F134 G135 L141 A142F134-I138 HydrophobicContact CD1-CG1 4.14Å; F134-I138 HydrophobicContact CD2-CG1 4.49Å; F134-I138 HydrophobicContact CE1-CD1 4.35Å; F134-I138 HydrophobicContact CE1-CG1 3.73Å; F134-I138 HydrophobicContact CE2-CD1 4.18Å; F134-I138 HydrophobicContact CE2-CG1 4.11Å; F134-I138 HydrophobicContact CZ-CD1 3.86Å; F134-I138 HydrophobicContact CZ-CG1 3.72Å; F134-I138 WeakPolarHBondContact O-CG1 3.45Å; F134-I138 PolarHBondContact O-N 2.82Å; G135-I138 PolarHBondContact O-N 3.08Å; I138-L141 PolarHBondContact O-N 2.95Å; I138-A142 VanDerWaalsContact O-CB 3.32Å; I138-A142 WeakPolarHBondContact O-CB 3.41Å; I138-A142 PolarHBondContact O-N 2.91Å
139F96.4Very high93.6Very high120 Ų12063.3 Ų63.353%0.52632%0.315SS..Hα-helixtrans-61.8-44175179.8-108.6000111.8G135 T137 L141 A142 L143 L257G135-F139 VanDerWaalsContact O-CB 3.25Å; G135-F139 WeakPolarHBondContact O-CB 3.31Å; G135-F139 PolarHBondContact O-N 3.16Å; T137-F139 VanDerWaalsContact C-N 3.31Å; T137-F139 PolarHBondContact O-N 3.06Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.8Å; F139-A142 PolarHBondContact O-N 3.21Å; F139-L143 HydrophobicContact CD1-CD1 4.04Å; F139-L143 HydrophobicContact CD1-CG 4.36Å; F139-L143 HydrophobicContact CE1-CD1 3.47Å; F139-L143 VanDerWaalsContact CE1-CD1 3.47Å; F139-L143 HydrophobicContact CE1-CG 3.99Å; F139-L143 HydrophobicContact CE2-CD2 4.25Å; F139-L143 HydrophobicContact CE2-CG 4.22Å; F139-L143 HydrophobicContact CZ-CD1 3.76Å; F139-L143 HydrophobicContact CZ-CD2 4.02Å; F139-L143 HydrophobicContact CZ-CG 3.91Å; F139-L143 WeakPolarHBondContact O-CB 3.38Å; F139-L143 WeakPolarHBondContact O-CG 3.3Å; F139-L143 PolarHBondContact O-N 3.34Å; F139-L257 HydrophobicContact CD1-CD1 4.05Å; F139-L257 HydrophobicContact CE1-CD1 4.22Å
140G97.2Very high93.8Very high0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-60.6-40.717500000112.8S136 T137 L143 Y144 G254S136-G140 PolarHBondContact O-N 2.93Å; T137-G140 PolarHBondContact O-N 3.33Å; G140-L143 PolarHBondContact O-N 2.94Å; G140-Y144 PolarHBondContact O-N 2.97Å; G140-G254 VanDerWaalsContact O-CA 3.31Å; G140-G254 WeakPolarHBondContact O-CA 3.24Å
141L96.2Very high93.9Very high52 Ų5259.8 Ų59.827%0.27230%0.3SS..Hα-helixtrans-68.3-42.8176.5-169.764.5000112.2T137 I138 F139 L143 Y144 F145 V258 I275T137-L141 WeakPolarHBondContact O-CB 3.43Å; T137-L141 PolarHBondContact O-N 3.3Å; I138-L141 PolarHBondContact O-N 2.95Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.8Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-Y144 WeakPolarHBondContact O-CB 3.28Å; L141-Y144 PolarHBondContact O-N 3.31Å; L141-F145 HydrophobicContact CD1-CD2 3.91Å; L141-F145 HydrophobicContact CD1-CE2 3.34Å; L141-F145 HydrophobicContact CD1-CZ 4.07Å; L141-F145 HydrophobicContact CD2-CE2 4.06Å; L141-F145 HydrophobicContact CG-CD2 3.78Å; L141-F145 HydrophobicContact CG-CE2 3.52Å; L141-F145 WeakPolarHBondContact O-CD2 3.43Å; L141-F145 PolarHBondContact O-N 3.24Å; L141-V258 HydrophobicContact CB-CG2 4.46Å; L141-I275 HydrophobicContact CD1-CD1 3.59Å
142A96.2Very high93.8Very high33 Ų3359.3 Ų59.327%0.27330%0.295SS..Hα-helixtrans-60.4-45174.100000111I138 F139 Y144 F145 M146I138-A142 VanDerWaalsContact O-CB 3.32Å; I138-A142 WeakPolarHBondContact O-CB 3.41Å; I138-A142 PolarHBondContact O-N 2.91Å; F139-A142 PolarHBondContact O-N 3.21Å; A142-Y144 VanDerWaalsContact C-N 3.3Å; A142-Y144 PolarHBondContact O-N 3.49Å; A142-F145 PolarHBondContact O-N 3.21Å; A142-M146 HydrophobicContact CB-SD 3.86Å; A142-M146 WeakPolarHBondContact O-CB 3.34Å; A142-M146 WeakPolarHBondContact O-CG 3.29Å; A142-M146 PolarHBondContact O-N 3.08Å; A142-M146 VanDerWaalsContact O-SD 3.35Å
143L95.3Very high93.8Very high19 Ų1956 Ų5610%0.09928%0.283CS..Hα-helixtrans-58.3-42174.1-77.3-172.9000112.1F139 G140 L141 A147 L150 M250 L257F139-L143 HydrophobicContact CD1-CD1 4.04Å; F139-L143 HydrophobicContact CD1-CG 4.36Å; F139-L143 HydrophobicContact CE1-CD1 3.47Å; F139-L143 VanDerWaalsContact CE1-CD1 3.47Å; F139-L143 HydrophobicContact CE1-CG 3.99Å; F139-L143 HydrophobicContact CE2-CD2 4.25Å; F139-L143 HydrophobicContact CE2-CG 4.22Å; F139-L143 HydrophobicContact CZ-CD1 3.76Å; F139-L143 HydrophobicContact CZ-CD2 4.02Å; F139-L143 HydrophobicContact CZ-CG 3.91Å; F139-L143 WeakPolarHBondContact O-CB 3.38Å; F139-L143 WeakPolarHBondContact O-CG 3.3Å; F139-L143 PolarHBondContact O-N 3.34Å; G140-L143 PolarHBondContact O-N 2.94Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L143-A147 WeakPolarHBondContact O-CA 3.32Å; L143-A147 WeakPolarHBondContact O-CB 3.36Å; L143-A147 PolarHBondContact O-N 3.44Å; L143-L150 HydrophobicContact CD2-CD2 4.08Å; L143-M250 HydrophobicContact CD1-CE 4.4Å; L143-M250 HydrophobicContact CD2-CE 3.56Å; L143-M250 HydrophobicContact CG-CE 4.44Å; L143-L257 HydrophobicContact CD1-CD1 4.05Å
144Y95.3Very high93.7Very high20 Ų2058.4 Ų58.48%0.07830%0.299CS..Hα-helixtrans-63.1-54.4179.3-169.6-78.1000111.6G140 L141 A142 A147 R251 A255 I275 E279G140-Y144 PolarHBondContact O-N 2.97Å; L141-Y144 WeakPolarHBondContact O-CB 3.28Å; L141-Y144 PolarHBondContact O-N 3.31Å; A142-Y144 VanDerWaalsContact C-N 3.3Å; A142-Y144 PolarHBondContact O-N 3.49Å; Y144-A147 VanDerWaalsContact O-CB 3.25Å; Y144-A147 WeakPolarHBondContact O-CB 3.47Å; Y144-A147 PolarHBondContact O-N 3.09Å; Y144-R251 HydrophobicContact CD2-CB 3.87Å; Y144-R251 HydrophobicContact CD2-CG 4.14Å; Y144-R251 WeakPolarHBondContact CD2-O 3.29Å; Y144-R251 HydrophobicContact CE2-CB 3.81Å; Y144-R251 HydrophobicContact CE2-CG 4.15Å; Y144-R251 HydrophobicContact CG-CG 4.38Å; Y144-A255 HydrophobicContact CD2-CB 4.48Å; Y144-I275 HydrophobicContact CD1-CG2 3.9Å; Y144-I275 HydrophobicContact CE1-CG2 3.23Å; Y144-E279 WeakPolarHBondContact CE1-OE1 3.12Å
145F94.7Very high93.5Very high122 Ų12258.4 Ų58.454%0.53531%0.311SS..Hα-helixtrans-71.1-35.9-176.8-72.5-56.3000113.4L141 A142 A147 I275L141-F145 HydrophobicContact CD1-CD2 3.91Å; L141-F145 HydrophobicContact CD1-CE2 3.34Å; L141-F145 HydrophobicContact CD1-CZ 4.07Å; L141-F145 HydrophobicContact CD2-CE2 4.06Å; L141-F145 HydrophobicContact CG-CD2 3.78Å; L141-F145 HydrophobicContact CG-CE2 3.52Å; L141-F145 WeakPolarHBondContact O-CD2 3.43Å; L141-F145 PolarHBondContact O-N 3.24Å; A142-F145 PolarHBondContact O-N 3.21Å; F145-A147 VanDerWaalsContact C-N 3.28Å; F145-A147 PolarHBondContact O-N 3.24Å; F145-I275 HydrophobicContact CE1-CG1 4.46Å; F145-I275 HydrophobicContact CE1-CG2 4.06Å; F145-I275 HydrophobicContact CZ-CD1 4.01Å; F145-I275 HydrophobicContact CZ-CG1 4Å; F145-I275 HydrophobicContact CZ-CG2 4.4Å
146M94.6Very high93.2Very high99 Ų9957.5 Ų57.549%0.48830%0.298SS..Hα-helixtrans-86.30.1-179.8-60.3150.5159.400112.1A142 N148 K149 L150A142-M146 HydrophobicContact CB-SD 3.86Å; A142-M146 WeakPolarHBondContact O-CB 3.34Å; A142-M146 WeakPolarHBondContact O-CG 3.29Å; A142-M146 PolarHBondContact O-N 3.08Å; A142-M146 VanDerWaalsContact O-SD 3.35Å; M146-N148 VanDerWaalsContact C-N 3.28Å; M146-N148 PolarHBondContact O-N 2.77Å; M146-K149 PolarHBondContact O-N 3.06Å; M146-L150 HydrophobicContact CB-CD1 3.27Å; M146-L150 HydrophobicContact CG-CD1 4.48Å; M146-L150 WeakPolarHBondContact O-CD1 3.25Å; M146-L150 PolarHBondContact O-N 3.01Å
147A93.9Very high93Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-49.7-45.4-176.800000113.1L143 Y144 F145 L150 S151 E247 M250 R251L143-A147 WeakPolarHBondContact O-CA 3.32Å; L143-A147 WeakPolarHBondContact O-CB 3.36Å; L143-A147 PolarHBondContact O-N 3.44Å; Y144-A147 VanDerWaalsContact O-CB 3.25Å; Y144-A147 WeakPolarHBondContact O-CB 3.47Å; Y144-A147 PolarHBondContact O-N 3.09Å; F145-A147 VanDerWaalsContact C-N 3.28Å; F145-A147 PolarHBondContact O-N 3.24Å; A147-L150 PolarHBondContact O-N 2.88Å; A147-S151 WeakPolarHBondContact O-CB 3.41Å; A147-S151 PolarHBondContact O-N 3.44Å; A147-E247 HydrophobicContact CB-CG 4.22Å; A147-M250 HydrophobicContact CB-CB 4.05Å; A147-R251 HydrophobicContact CB-CG 3.69Å
148N91.5Very high92.9Very high72 Ų7259.8 Ų59.839%0.38530%0.303SS..Hα-helixtrans-62.4-49.3178.3-175.43.9000111.1M146 L150 S151 Q152M146-N148 VanDerWaalsContact C-N 3.28Å; M146-N148 PolarHBondContact O-N 2.77Å; N148-L150 PolarHBondContact O-N 2.95Å; N148-S151 PolarHBondContact O-N 3.29Å; N148-S151 PolarHBondContact O-OG 3.02Å; N148-Q152 WeakPolarHBondContact O-CG 3.3Å; N148-Q152 PolarHBondContact O-N 3.48Å; N148-Q152 PolarHBondContact OD1-NE2 2.7Å
149K92.6Very high92.7Very high152 Ų15258.3 Ų58.366%0.66130%0.304SS*.Hα-helixtrans-61.7-45.5177.4-65-178.1-179.1178.90111.8M146 S151 Q152 I153M146-K149 PolarHBondContact O-N 3.06Å; K149-S151 VanDerWaalsContact C-N 3.3Å; K149-S151 PolarHBondContact O-N 2.67Å; K149-Q152 PolarHBondContact O-N 2.91Å; K149-I153 WeakPolarHBondContact O-CG1 3.44Å; K149-I153 PolarHBondContact O-N 3.35Å
150L91Very high92.5Very high42 Ų4254.8 Ų54.822%0.2229%0.294CS..Hα-helixtrans-62.5-37.8178.6-90.186.3000111.7L143 M146 A147 N148 Q152 I153 T156 M250L143-L150 HydrophobicContact CD2-CD2 4.08Å; M146-L150 HydrophobicContact CB-CD1 3.27Å; M146-L150 HydrophobicContact CG-CD1 4.48Å; M146-L150 WeakPolarHBondContact O-CD1 3.25Å; M146-L150 PolarHBondContact O-N 3.01Å; A147-L150 PolarHBondContact O-N 2.88Å; N148-L150 PolarHBondContact O-N 2.95Å; L150-Q152 PolarHBondContact O-N 3.23Å; L150-I153 PolarHBondContact O-N 3.01Å; L150-T156 HydrophobicContact CB-CG2 4.24Å; L150-T156 HydrophobicContact CD2-CG2 4.35Å; L150-T156 VanDerWaalsContact O-CB 3.24Å; L150-T156 WeakPolarHBondContact O-CB 3.24Å; L150-T156 PolarHBondContact O-OG1 2.95Å; L150-M250 HydrophobicContact CD2-CE 4.07Å
151S90.3Very high92.2Very high2 Ų255.4 Ų55.41%0.01430%0.3CS..Hα-helixtrans-64.5-22.3179.179.90000113.6A147 N148 K149 Y157A147-S151 WeakPolarHBondContact O-CB 3.41Å; A147-S151 PolarHBondContact O-N 3.44Å; N148-S151 PolarHBondContact O-N 3.29Å; N148-S151 PolarHBondContact O-OG 3.02Å; K149-S151 VanDerWaalsContact C-N 3.3Å; K149-S151 PolarHBondContact O-N 2.67Å; S151-Y157 VanDerWaalsContact O-CE2 3.24Å; S151-Y157 WeakPolarHBondContact O-CE2 3.13Å; S151-Y157 VanDerWaalsContact O-CZ 3.3Å; S151-Y157 PolarHBondContact O-OH 2.64Å
152Q89.5Confident92.1Very high119 Ų11953.3 Ų53.356%0.55629%0.29SS*.Hα-helixtrans-90.2-22.5-178.7-64.1177.615.100112.6N148 K149 L150 T154N148-Q152 WeakPolarHBondContact O-CG 3.3Å; N148-Q152 PolarHBondContact O-N 3.48Å; N148-Q152 PolarHBondContact OD1-NE2 2.7Å; K149-Q152 PolarHBondContact O-N 2.91Å; L150-Q152 PolarHBondContact O-N 3.23Å; Q152-T154 PolarHBondContact O-N 3.36Å
153I90.4Very high92Very high88 Ų8856.8 Ų56.845%0.45131%0.307SS..  trans-79.5120.7-178.2-63.8165.6000109.9K149 L150 A155 T156K149-I153 WeakPolarHBondContact O-CG1 3.44Å; K149-I153 PolarHBondContact O-N 3.35Å; L150-I153 PolarHBondContact O-N 3.01Å; I153-A155 HydrophobicContact CG2-CB 3.79Å; I153-A155 PolarHBondContact O-N 3.28Å; I153-T156 WeakPolarHBondContact O-CB 3.3Å; I153-T156 PolarHBondContact O-N 3.47Å; I153-T156 VanDerWaalsContact O-N 3.09Å; I153-T156 PolarHBondContact O-OG1 3.33Å
154T88.8Confident91.9Very high74 Ų7459.4 Ų59.445%0.45433%0.327SS..Hα-helixtrans-57.9-34.6178.5-45.70000112.7Q152 T156 Y157 Y158 T236Q152-T154 PolarHBondContact O-N 3.36Å; T154-T156 VanDerWaalsContact C-N 3.25Å; T154-T156 PolarHBondContact O-N 2.9Å; T154-Y157 PolarHBondContact O-N 2.91Å; T154-Y158 HydrophobicContact CG2-CD2 4.29Å; T154-Y158 HydrophobicContact CG2-CE2 3.8Å; T154-Y158 VanDerWaalsContact O-CD2 3.3Å; T154-Y158 WeakPolarHBondContact O-CD2 3.37Å; T154-T236 HydrophobicContact CG2-CG2 3.89Å
155A89.3Confident91.8Very high64 Ų6459.9 Ų59.953%0.52934%0.336SS..Hα-helixtrans-60.7-31.217800000113.4I153 Y157 Y158 A159I153-A155 HydrophobicContact CG2-CB 3.79Å; I153-A155 PolarHBondContact O-N 3.28Å; A155-Y157 VanDerWaalsContact C-N 3.33Å; A155-Y157 PolarHBondContact O-N 3.43Å; A155-Y158 PolarHBondContact O-N 3.3Å; A155-A159 PolarHBondContact O-N 3.45Å
156T90.2Very high91.9Very high16 Ų1655.5 Ų55.510%0.09832%0.319CS..Hα-helixtrans-62.2-41.2177.9-47.40000111.7L150 I153 T154 Y158 A159 C160 F246L150-T156 HydrophobicContact CB-CG2 4.24Å; L150-T156 HydrophobicContact CD2-CG2 4.35Å; L150-T156 VanDerWaalsContact O-CB 3.24Å; L150-T156 WeakPolarHBondContact O-CB 3.24Å; L150-T156 PolarHBondContact O-OG1 2.95Å; I153-T156 WeakPolarHBondContact O-CB 3.3Å; I153-T156 PolarHBondContact O-N 3.47Å; I153-T156 VanDerWaalsContact O-N 3.09Å; I153-T156 PolarHBondContact O-OG1 3.33Å; T154-T156 VanDerWaalsContact C-N 3.25Å; T154-T156 PolarHBondContact O-N 2.9Å; T156-Y158 VanDerWaalsContact C-N 3.33Å; T156-Y158 PolarHBondContact O-N 3.24Å; T156-A159 PolarHBondContact O-N 3.49Å; T156-C160 WeakPolarHBondContact O-CB 3.29Å; T156-C160 PolarHBondContact O-N 3.38Å; T156-F246 HydrophobicContact CG2-CE1 3.76Å; T156-F246 HydrophobicContact CG2-CZ 3.77Å
157Y89.1Confident91.9Very high24 Ų2456.4 Ų56.49%0.09433%0.325CS..Hα-helixtrans-63.9-40.1178.1-65.8-80.9000111.9S151 T154 A155 G161 P237 F246S151-Y157 VanDerWaalsContact O-CE2 3.24Å; S151-Y157 WeakPolarHBondContact O-CE2 3.13Å; S151-Y157 VanDerWaalsContact O-CZ 3.3Å; S151-Y157 PolarHBondContact O-OH 2.64Å; T154-Y157 PolarHBondContact O-N 2.91Å; A155-Y157 VanDerWaalsContact C-N 3.33Å; A155-Y157 PolarHBondContact O-N 3.43Å; Y157-G161 PolarHBondContact O-N 3.25Å; Y157-P237 HydrophobicContact CD1-CG 3.58Å; Y157-P237 HydrophobicContact CE1-CG 3.59Å; Y157-P237 HydrophobicContact CG-CG 4.34Å; Y157-F246 HydrophobicContact CE1-CD1 4.38Å; Y157-F246 HydrophobicContact CE1-CD2 4.22Å; Y157-F246 HydrophobicContact CE1-CG 4.1Å
158Y91.8Very high91.9Very high54 Ų5458 Ų5821%0.21234%0.342CS..Hα-helixtrans-64-44.2174.6-74.7-68.5000111.4T154 A155 T156 G161 A162 F228 I231 T236T154-Y158 HydrophobicContact CG2-CD2 4.29Å; T154-Y158 HydrophobicContact CG2-CE2 3.8Å; T154-Y158 VanDerWaalsContact O-CD2 3.3Å; T154-Y158 WeakPolarHBondContact O-CD2 3.37Å; A155-Y158 PolarHBondContact O-N 3.3Å; T156-Y158 VanDerWaalsContact C-N 3.33Å; T156-Y158 PolarHBondContact O-N 3.24Å; Y158-G161 PolarHBondContact O-N 2.86Å; Y158-A162 WeakPolarHBondContact O-CB 3.26Å; Y158-A162 PolarHBondContact O-N 3.37Å; Y158-F228 AromaticContact CD1-CD1 3.94Å; Y158-F228 HydrophobicContact CD1-CD1 3.94Å; Y158-F228 HydrophobicContact CG-CD1 4.28Å; Y158-F228 WeakPolarHBondContact O-CE1 3.2Å; Y158-I231 HydrophobicContact CD1-CB 3.99Å; Y158-I231 HydrophobicContact CD1-CD1 4.49Å; Y158-I231 HydrophobicContact CD1-CG2 3.64Å; Y158-I231 HydrophobicContact CE1-CB 3.89Å; Y158-I231 HydrophobicContact CE1-CG2 3.46Å; Y158-I231 VanDerWaalsContact CE1-CG2 3.46Å; Y158-T236 HydrophobicContact CD2-CG2 4.45Å; Y158-T236 HydrophobicContact CE1-CG2 4.44Å; Y158-T236 HydrophobicContact CE2-CG2 3.92Å
159A92.6Very high92.1Very high52 Ų5255.8 Ų55.843%0.4333%0.332SS..Hα-helixtrans-64-48.917800000112.4A155 T156 G161 A162 V163A155-A159 PolarHBondContact O-N 3.45Å; T156-A159 PolarHBondContact O-N 3.49Å; A159-G161 VanDerWaalsContact C-N 3.3Å; A159-G161 PolarHBondContact O-N 2.84Å; A159-A162 PolarHBondContact O-N 3.39Å; A159-V163 WeakPolarHBondContact O-CG2 3.4Å; A159-V163 PolarHBondContact O-N 3.05Å
160C91.6Very high92Very high47 Ų4751 Ų5132%0.31832%0.315SS..Hα-helixtrans-62.9-38.8175.9-72.50000111.9T156 V163 S164 F246T156-C160 WeakPolarHBondContact O-CB 3.29Å; T156-C160 PolarHBondContact O-N 3.38Å; C160-V163 PolarHBondContact O-N 3.19Å; C160-S164 WeakPolarHBondContact O-CB 3.23Å; C160-S164 PolarHBondContact O-N 3.11Å; C160-S164 PolarHBondContact O-OG 3.04Å; C160-F246 HydrophobicContact CB-CE2 4.28Å; C160-F246 HydrophobicContact CB-CZ 4.41Å
161G91.1Very high92.1Very high12 Ų1252.6 Ų52.612%0.12433%0.327CS..Hα-helixtrans-59-46.8172.900000112.1Y157 Y158 A159 S164 A165Y157-G161 PolarHBondContact O-N 3.25Å; Y158-G161 PolarHBondContact O-N 2.86Å; A159-G161 VanDerWaalsContact C-N 3.3Å; A159-G161 PolarHBondContact O-N 2.84Å; G161-S164 PolarHBondContact O-N 3.42Å; G161-S164 PolarHBondContact O-OG 2.87Å; G161-A165 WeakPolarHBondContact O-CB 3.41Å; G161-A165 PolarHBondContact O-N 3.21Å
162A94.2Very high92.1Very high9 Ų956.3 Ų56.37%0.07435%0.349CS..Hα-helixtrans-61.9-45.6175.700000112.3Y158 A159 S164 A165 V166 F228Y158-A162 WeakPolarHBondContact O-CB 3.26Å; Y158-A162 PolarHBondContact O-N 3.37Å; A159-A162 PolarHBondContact O-N 3.39Å; A162-S164 VanDerWaalsContact C-N 3.35Å; A162-S164 PolarHBondContact O-N 3.02Å; A162-A165 PolarHBondContact O-N 3.27Å; A162-V166 WeakPolarHBondContact O-CG2 3.34Å; A162-V166 PolarHBondContact O-N 2.9Å; A162-F228 HydrophobicContact CB-CE1 4.1Å; A162-F228 HydrophobicContact CB-CZ 4.09Å
163V94.8Very high92Very high105 Ų10554 Ų5464%0.63634%0.34SS*.Hα-helixtrans-59.8-45.2175.8172.70000111.1A159 C160 A165 V166 L167A159-V163 WeakPolarHBondContact O-CG2 3.4Å; A159-V163 PolarHBondContact O-N 3.05Å; C160-V163 PolarHBondContact O-N 3.19Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 3.02Å; V163-V166 PolarHBondContact O-N 3.2Å; V163-L167 WeakPolarHBondContact O-CB 3.39Å; V163-L167 PolarHBondContact O-N 3.29Å
164S91.9Very high91.8Very high74 Ų7455.4 Ų55.452%0.51734%0.343SS..Hα-helixtrans-65.1-37.1178.174.70000112.5C160 G161 A162 L167 G168C160-S164 WeakPolarHBondContact O-CB 3.23Å; C160-S164 PolarHBondContact O-N 3.11Å; C160-S164 PolarHBondContact O-OG 3.04Å; G161-S164 PolarHBondContact O-N 3.42Å; G161-S164 PolarHBondContact O-OG 2.87Å; A162-S164 VanDerWaalsContact C-N 3.35Å; A162-S164 PolarHBondContact O-N 3.02Å; S164-L167 PolarHBondContact O-N 3.49Å; S164-G168 PolarHBondContact O-N 3.37Å
165A94.3Very high91.7Very high31 Ų3157.2 Ų57.226%0.25635%0.349SS..Hα-helixtrans-68.3-42.917800000111.6G161 A162 V163 G168 S169 V223 A227G161-A165 WeakPolarHBondContact O-CB 3.41Å; G161-A165 PolarHBondContact O-N 3.21Å; A162-A165 PolarHBondContact O-N 3.27Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 3.02Å; A165-G168 PolarHBondContact O-N 3.41Å; A165-S169 WeakPolarHBondContact O-CB 3.34Å; A165-S169 PolarHBondContact O-N 3.44Å; A165-S169 PolarHBondContact O-OG 3.46Å; A165-V223 HydrophobicContact CB-CG1 4.24Å; A165-A227 HydrophobicContact CB-CB 3.49Å; A165-A227 VanDerWaalsContact CB-CB 3.49Å
166V95.7Very high91.6Very high29 Ų2958.2 Ų58.218%0.17634%0.344CS..Hα-helixtrans-64.4-44175.4173.90000110.8A162 V163 S169 V170 V220 V223A162-V166 WeakPolarHBondContact O-CG2 3.34Å; A162-V166 PolarHBondContact O-N 2.9Å; V163-V166 PolarHBondContact O-N 3.2Å; V166-S169 WeakPolarHBondContact CA-OG 3.5Å; V166-S169 PolarHBondContact O-N 3.4Å; V166-S169 PolarHBondContact O-OG 2.81Å; V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.5Å; V166-V170 PolarHBondContact O-N 3.47Å; V166-V220 HydrophobicContact CG1-CG2 4.15Å; V166-V220 HydrophobicContact CG2-CG1 4.23Å; V166-V223 HydrophobicContact CG2-CB 4.33Å; V166-V223 HydrophobicContact CG2-CG1 4.01Å
167L94.8Very high91.1Very high118 Ų11861.5 Ų61.562%0.61836%0.361SS*.Hα-helixtrans-64-45.3177.3-174.363.1000111.3V163 S164 V170 V171V163-L167 WeakPolarHBondContact O-CB 3.39Å; V163-L167 PolarHBondContact O-N 3.29Å; S164-L167 PolarHBondContact O-N 3.49Å; L167-V170 PolarHBondContact O-N 2.95Å; L167-V171 WeakPolarHBondContact O-CG2 3.38Å; L167-V171 PolarHBondContact O-N 2.91Å; L167-V171 VanDerWaalsContact O-N 3.1Å
168G95.2Very high90.5Very high35 Ų3562.5 Ų62.536%0.36138%0.378SS..Hα-helixtrans-63.3-41.1177.100000112.7S164 A165 V170 V171 V172S164-G168 PolarHBondContact O-N 3.37Å; A165-G168 PolarHBondContact O-N 3.41Å; G168-V170 VanDerWaalsContact C-N 3.33Å; G168-V170 PolarHBondContact O-N 3.45Å; G168-V171 PolarHBondContact O-N 3.17Å; G168-V172 WeakPolarHBondContact O-CG2 3.49Å; G168-V172 PolarHBondContact O-N 2.89Å
169S95Very high90.1Very high25 Ų2569.4 Ų69.418%0.17540%0.404CS..Hα-helixtrans-67.5-34.8178.471.80000111.9A165 V166 V172 L173 Y219A165-S169 WeakPolarHBondContact O-CB 3.34Å; A165-S169 PolarHBondContact O-N 3.44Å; A165-S169 PolarHBondContact O-OG 3.46Å; V166-S169 WeakPolarHBondContact CA-OG 3.5Å; V166-S169 PolarHBondContact O-N 3.4Å; V166-S169 PolarHBondContact O-OG 2.81Å; S169-V172 PolarHBondContact O-N 3.09Å; S169-L173 WeakPolarHBondContact O-CG 3.47Å; S169-L173 PolarHBondContact O-N 3.22Å; S169-Y219 WeakPolarHBondContact CB-OH 3.18Å; S169-Y219 PolarHBondContact O-OH 3.25Å; S169-Y219 PolarHBondContact OG-OH 3.44Å
170V91Very high89.3Confident51 Ų5174.4 Ų74.431%0.30942%0.42SS..Hα-helixtrans-63.6-43.2171.5168.70000111.1V166 L167 G168 V172 L173 F174 Y219V166-V170 VanDerWaalsContact O-CG2 3.26Å; V166-V170 WeakPolarHBondContact O-CG2 3.5Å; V166-V170 PolarHBondContact O-N 3.47Å; L167-V170 PolarHBondContact O-N 2.95Å; G168-V170 VanDerWaalsContact C-N 3.33Å; G168-V170 PolarHBondContact O-N 3.45Å; V170-V172 VanDerWaalsContact C-N 3.35Å; V170-V172 PolarHBondContact O-N 3.21Å; V170-L173 WeakPolarHBondContact O-CB 3.28Å; V170-L173 PolarHBondContact O-N 3.31Å; V170-F174 HydrophobicContact CG1-CD2 3.7Å; V170-F174 HydrophobicContact CG1-CE2 3.46Å; V170-F174 VanDerWaalsContact CG1-CE2 3.46Å; V170-F174 WeakPolarHBondContact O-CD2 3.34Å; V170-F174 PolarHBondContact O-N 3.25Å; V170-Y219 HydrophobicContact CG2-CE1 4.39Å
171V92.2Very high88.4Confident76 Ų7676 Ų7646%0.46142%0.424SS..Hα-helixtrans-61.7-43.7175173.30000111.1L167 G168 L173 F174 I175L167-V171 WeakPolarHBondContact O-CG2 3.38Å; L167-V171 PolarHBondContact O-N 2.91Å; L167-V171 VanDerWaalsContact O-N 3.1Å; G168-V171 PolarHBondContact O-N 3.17Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 2.72Å; V171-F174 PolarHBondContact O-N 3.28Å; V171-I175 HydrophobicContact CG1-CD1 4.03Å; V171-I175 WeakPolarHBondContact O-CG1 3.4Å; V171-I175 PolarHBondContact O-N 3.24Å
172V91.6Very high87.4Confident80 Ų8079.3 Ų79.349%0.48544%0.443SS..Hα-helixtrans-62-41.8175.4172.40000111.2G168 S169 V170 F174 I175 I176G168-V172 WeakPolarHBondContact O-CG2 3.49Å; G168-V172 PolarHBondContact O-N 2.89Å; S169-V172 PolarHBondContact O-N 3.09Å; V170-V172 VanDerWaalsContact C-N 3.35Å; V170-V172 PolarHBondContact O-N 3.21Å; V172-F174 PolarHBondContact O-N 2.86Å; V172-I175 PolarHBondContact O-N 3.44Å; V172-I175 VanDerWaalsContact O-N 3.17Å; V172-I176 HydrophobicContact CG1-CD1 3.75Å; V172-I176 HydrophobicContact CG1-CG1 4.3Å; V172-I176 VanDerWaalsContact O-CG1 3.31Å; V172-I176 WeakPolarHBondContact O-CG1 3.42Å; V172-I176 PolarHBondContact O-N 3.47Å
173L87.3Confident86.2Confident70 Ų7088.2 Ų88.237%0.36648%0.475SS..Hα-helixtrans-59.8-44.7173.7-77.2177.6000111.7S169 V170 V171 I175 I176 I177 Y219S169-L173 WeakPolarHBondContact O-CG 3.47Å; S169-L173 PolarHBondContact O-N 3.22Å; V170-L173 WeakPolarHBondContact O-CB 3.28Å; V170-L173 PolarHBondContact O-N 3.31Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 2.72Å; L173-I175 VanDerWaalsContact C-N 3.29Å; L173-I175 PolarHBondContact O-N 3.29Å; L173-I176 PolarHBondContact O-N 2.86Å; L173-I177 WeakPolarHBondContact O-CB 3.37Å; L173-I177 WeakPolarHBondContact O-CD1 3.33Å; L173-I177 WeakPolarHBondContact O-CG1 3.35Å; L173-I177 PolarHBondContact O-N 3.45Å; L173-Y219 HydrophobicContact CD1-CE1 4.27Å; L173-Y219 HydrophobicContact CD1-CE2 3.86Å; L173-Y219 WeakPolarHBondContact CD1-OH 3.46Å
174F84.7Confident84.9Confident117 Ų11793.2 Ų93.251%0.51348%0.482SS..Hα-helixtrans-60-39.2174.6-82.5-65.5000112.2V170 V171 V172 G178V170-F174 HydrophobicContact CG1-CD2 3.7Å; V170-F174 HydrophobicContact CG1-CE2 3.46Å; V170-F174 VanDerWaalsContact CG1-CE2 3.46Å; V170-F174 WeakPolarHBondContact O-CD2 3.34Å; V170-F174 PolarHBondContact O-N 3.25Å; V171-F174 PolarHBondContact O-N 3.28Å; V172-F174 PolarHBondContact O-N 2.86Å; F174-G178 PolarHBondContact O-N 2.91Å
175I86.6Confident83.8Confident113 Ų11393.3 Ų93.358%0.57948%0.481SS*.Hα-helixtrans-66.9-43175.9-66.9166.9000111.2V171 V172 L173 G178 R179V171-I175 HydrophobicContact CG1-CD1 4.03Å; V171-I175 WeakPolarHBondContact O-CG1 3.4Å; V171-I175 PolarHBondContact O-N 3.24Å; V172-I175 PolarHBondContact O-N 3.44Å; V172-I175 VanDerWaalsContact O-N 3.17Å; L173-I175 VanDerWaalsContact C-N 3.29Å; L173-I175 PolarHBondContact O-N 3.29Å; I175-G178 CarbonylContact O-C 3.46Å; I175-G178 PolarHBondContact O-N 3.43Å; I175-R179 WeakPolarHBondContact O-CB 3.44Å; I175-R179 PolarHBondContact O-N 2.99Å
176I87.1Confident82.5Confident84 Ų8494.4 Ų94.443%0.43148%0.483SS..Hα-helixtrans-65.3-48.4178.2-67.8167.2000110.5V172 L173 G178 R179 M180V172-I176 HydrophobicContact CG1-CD1 3.75Å; V172-I176 HydrophobicContact CG1-CG1 4.3Å; V172-I176 VanDerWaalsContact O-CG1 3.31Å; V172-I176 WeakPolarHBondContact O-CG1 3.42Å; V172-I176 PolarHBondContact O-N 3.47Å; L173-I176 PolarHBondContact O-N 2.86Å; I176-G178 VanDerWaalsContact C-N 3.29Å; I176-G178 PolarHBondContact O-N 3.4Å; I176-R179 CarbonylContact O-C 3.57Å; I176-R179 WeakPolarHBondContact O-CA 3.46Å; I176-R179 PolarHBondContact O-N 2.88Å; I176-M180 HydrophobicContact CG2-CG 4.46Å; I176-M180 HydrophobicContact CG2-SD 4.3Å; I176-M180 WeakPolarHBondContact O-CG 3.12Å; I176-M180 PolarHBondContact O-N 3.3Å
177I81Confident81.2Confident85 Ų8595.3 Ų95.344%0.43649%0.49SS..Hα-helixtrans-58.2-45.9175.3-67.7162.4000109.3L173 R179 M180 M181L173-I177 WeakPolarHBondContact O-CB 3.37Å; L173-I177 WeakPolarHBondContact O-CD1 3.33Å; L173-I177 WeakPolarHBondContact O-CG1 3.35Å; L173-I177 PolarHBondContact O-N 3.45Å; I177-R179 PolarHBondContact O-N 2.84Å; I177-M180 PolarHBondContact O-N 2.93Å; I177-M181 HydrophobicContact CG2-CG 4.12Å; I177-M181 VanDerWaalsContact O-CB 3.24Å; I177-M181 WeakPolarHBondContact O-CB 3.49Å; I177-M181 WeakPolarHBondContact O-CG 3.34Å; I177-M181 PolarHBondContact O-N 3.29Å
178G76.3Confident80.1Confident45 Ų4593.9 Ų93.946%0.46449%0.486SS..Hα-helixtrans-62.6-23.9175.700000114.2F174 I175 I176F174-G178 PolarHBondContact O-N 2.91Å; I175-G178 CarbonylContact O-C 3.46Å; I175-G178 PolarHBondContact O-N 3.43Å; I176-G178 VanDerWaalsContact C-N 3.29Å; I176-G178 PolarHBondContact O-N 3.4Å
179R82.8Confident79Confident199 Ų19993.9 Ų93.975%0.75148%0.483SS*.Hα-helixtrans-87.2-34.7175.3-177.3169.7166.479.60113.1I175 I176 I177I175-R179 WeakPolarHBondContact O-CB 3.44Å; I175-R179 PolarHBondContact O-N 2.99Å; I176-R179 CarbonylContact O-C 3.57Å; I176-R179 WeakPolarHBondContact O-CA 3.46Å; I176-R179 PolarHBondContact O-N 2.88Å; I177-R179 PolarHBondContact O-N 2.84Å
180M76.3Confident77.8Confident158 Ų15897.5 Ų97.578%0.77850%0.496SS*.Hα-helixtrans-72.8-32.3173.6-69.8-17472.800111.9I176 I177I176-M180 HydrophobicContact CG2-CG 4.46Å; I176-M180 HydrophobicContact CG2-SD 4.3Å; I176-M180 WeakPolarHBondContact O-CG 3.12Å; I176-M180 PolarHBondContact O-N 3.3Å; I177-M180 PolarHBondContact O-N 2.93Å
181M71.9Confident77.1Confident79 Ų79105 Ų10539%0.38952%0.52SS..SBendtrans-66.4125.8177.3-77.8-106.7-106.500110.4I177 R183 L186I177-M181 HydrophobicContact CG2-CG 4.12Å; I177-M181 VanDerWaalsContact O-CB 3.24Å; I177-M181 WeakPolarHBondContact O-CB 3.49Å; I177-M181 WeakPolarHBondContact O-CG 3.34Å; I177-M181 PolarHBondContact O-N 3.29Å; M181-R183 PolarHBondContact O-N 2.85Å; M181-R183 VanDerWaalsContact O-N 3.13Å; M181-L186 HydrophobicContact CB-CD1 3.77Å; M181-L186 HydrophobicContact CE-CD1 3.43Å; M181-L186 VanDerWaalsContact CE-CD1 3.43Å; M181-L186 HydrophobicContact CG-CD1 4.15Å; M181-L186 HydrophobicContact SD-CD1 3.54Å; M181-L186 VanDerWaalsContact SD-CD1 3.54Å
182P71.6Confident76.4Confident82 Ų82112.5 Ų112.553%0.53254%0.54SS..  trans-62.3120.5-178.522.9-31.1000109.7R184 P185P182-R184 PolarHBondContact O-N 3.29Å; P182-R184 VanDerWaalsContact O-N 3.13Å; P182-P185 HydrophobicContact CB-CG 4Å; P182-P185 HydrophobicContact CG-CG 3.63Å; P182-P185 VanDerWaalsContact O-CD 3.23Å; P182-P185 WeakPolarHBondContact O-CD 3.39Å; P182-P185 WeakPolarHBondContact O-CG 3.34Å
183R67.4Low75.4Confident196 Ų196112.2 Ų112.274%0.7454%0.541SS*.Hα-helixtrans-57.3-31.1-176.4-70.2-175.2174.4158.2-4.2112.8M181 S187M181-R183 PolarHBondContact O-N 2.85Å; M181-R183 VanDerWaalsContact O-N 3.13Å; R183-S187 WeakPolarHBondContact O-CB 3.5Å; R183-S187 PolarHBondContact O-N 3.02Å; R183-S187 PolarHBondContact O-OG 3.4Å
184R68.3Low74.9Confident210 Ų210110 Ų11079%0.79254%0.535SS*.Hα-helixtrans-66-61.8-175.4-68.7-167.4-177.7138.60.4113.7P182 L186 S187 V188P182-R184 PolarHBondContact O-N 3.29Å; P182-R184 VanDerWaalsContact O-N 3.13Å; R184-L186 VanDerWaalsContact C-N 3.26Å; R184-L186 PolarHBondContact O-N 3.01Å; R184-S187 PolarHBondContact O-N 3.47Å; R184-S187 PolarHBondContact O-OG 3.46Å; R184-V188 WeakPolarHBondContact O-CB 3.26Å; R184-V188 WeakPolarHBondContact O-CG2 3.26Å; R184-V188 PolarHBondContact O-N 2.85Å
185P69.1Low74.3Confident76 Ų76111.4 Ų111.449%0.49454%0.537SS..Hα-helixtrans-63.2-32-17825.3-36.1000112.8P182 A189P182-P185 HydrophobicContact CB-CG 4Å; P182-P185 HydrophobicContact CG-CG 3.63Å; P182-P185 VanDerWaalsContact O-CD 3.23Å; P182-P185 WeakPolarHBondContact O-CD 3.39Å; P182-P185 WeakPolarHBondContact O-CG 3.34Å; P185-A189 WeakPolarHBondContact O-CA 3.44Å; P185-A189 WeakPolarHBondContact O-CB 3.41Å; P185-A189 PolarHBondContact O-N 3.49Å
186L67.2Low73.6Confident54 Ų54107.8 Ų107.828%0.28353%0.527SS..Hα-helixtrans-78.7-43178-96.4161.6000114M181 R184 V188 A189 F190M181-L186 HydrophobicContact CB-CD1 3.77Å; M181-L186 HydrophobicContact CE-CD1 3.43Å; M181-L186 VanDerWaalsContact CE-CD1 3.43Å; M181-L186 HydrophobicContact CG-CD1 4.15Å; M181-L186 HydrophobicContact SD-CD1 3.54Å; M181-L186 VanDerWaalsContact SD-CD1 3.54Å; R184-L186 VanDerWaalsContact C-N 3.26Å; R184-L186 PolarHBondContact O-N 3.01Å; L186-V188 VanDerWaalsContact C-N 3.27Å; L186-V188 PolarHBondContact O-N 3.47Å; L186-A189 CarbonylContact O-C 3.19Å; L186-A189 PolarHBondContact O-N 2.87Å; L186-F190 VanDerWaalsContact O-CB 3.28Å; L186-F190 WeakPolarHBondContact O-CB 3.31Å; L186-F190 PolarHBondContact O-N 3.29Å
187S68Low73Confident49 Ų49104.7 Ų104.734%0.34351%0.512SS..Hα-helixtrans-61-44171.959.20000109.4R183 R184 A189 F190 Y191R183-S187 WeakPolarHBondContact O-CB 3.5Å; R183-S187 PolarHBondContact O-N 3.02Å; R183-S187 PolarHBondContact O-OG 3.4Å; R184-S187 PolarHBondContact O-N 3.47Å; R184-S187 PolarHBondContact O-OG 3.46Å; S187-A189 PolarHBondContact O-N 3.21Å; S187-F190 PolarHBondContact O-N 3.01Å; S187-Y191 VanDerWaalsContact O-CB 3.27Å; S187-Y191 WeakPolarHBondContact O-CB 3.44Å; S187-Y191 WeakPolarHBondContact O-CD2 3.32Å; S187-Y191 VanDerWaalsContact O-CG 3.31Å; S187-Y191 PolarHBondContact O-N 2.9Å
188V71Confident72.8Confident87 Ų87105.2 Ų105.253%0.52751%0.512SS..Hα-helixtrans-60.3-44.9173.1173.50000111.1R184 L186 F190 Y191 W192R184-V188 WeakPolarHBondContact O-CB 3.26Å; R184-V188 WeakPolarHBondContact O-CG2 3.26Å; R184-V188 PolarHBondContact O-N 2.85Å; L186-V188 VanDerWaalsContact C-N 3.27Å; L186-V188 PolarHBondContact O-N 3.47Å; V188-F190 PolarHBondContact O-N 2.93Å; V188-Y191 PolarHBondContact O-N 3.44Å; V188-W192 WeakPolarHBondContact O-CB 3.28Å; V188-W192 PolarHBondContact O-N 2.93Å
189A72.1Confident72.6Confident35 Ų35108 Ų10829%0.28951%0.511SS..Hα-helixtrans-64.7-38.7177.400000112.2P185 L186 S187 C193 V197P185-A189 WeakPolarHBondContact O-CA 3.44Å; P185-A189 WeakPolarHBondContact O-CB 3.41Å; P185-A189 PolarHBondContact O-N 3.49Å; L186-A189 CarbonylContact O-C 3.19Å; L186-A189 PolarHBondContact O-N 2.87Å; S187-A189 PolarHBondContact O-N 3.21Å; A189-C193 WeakPolarHBondContact O-CA 3.46Å; A189-C193 WeakPolarHBondContact O-CB 3.4Å; A189-C193 PolarHBondContact O-N 3.29Å; A189-V197 HydrophobicContact CB-CG2 4.43Å; A189-V197 WeakPolarHBondContact O-CG2 3.44Å
190F71.4Confident72.2Confident102 Ų102105.6 Ų105.645%0.44751%0.506SS..Hα-helixtrans-73.3-38.9178.3-150.6-88.7000111.4L186 S187 V188 G194L186-F190 VanDerWaalsContact O-CB 3.28Å; L186-F190 WeakPolarHBondContact O-CB 3.31Å; L186-F190 PolarHBondContact O-N 3.29Å; S187-F190 PolarHBondContact O-N 3.01Å; V188-F190 PolarHBondContact O-N 2.93Å; F190-G194 WeakPolarHBondContact O-CA 3.35Å; F190-G194 PolarHBondContact O-N 3.33Å
191Y75Confident72.3Confident209 Ų209100.8 Ų100.882%0.8248%0.484SS*.Hα-helixtrans-67.3-35.9173.2-75.2-56.6000112S187 V188S187-Y191 VanDerWaalsContact O-CB 3.27Å; S187-Y191 WeakPolarHBondContact O-CB 3.44Å; S187-Y191 WeakPolarHBondContact O-CD2 3.32Å; S187-Y191 VanDerWaalsContact O-CG 3.31Å; S187-Y191 PolarHBondContact O-N 2.9Å; V188-Y191 PolarHBondContact O-N 3.44Å
192W77.8Confident72.8Confident232 Ų232103.6 Ų103.688%0.87949%0.49SS*.Hα-helixtrans-87.9-39.2-176.6-161.6-91.3000113.6V188V188-W192 WeakPolarHBondContact O-CB 3.28Å; V188-W192 PolarHBondContact O-N 2.93Å
193C71.8Confident73.1Confident75 Ų75103.2 Ų103.251%0.50749%0.489SS..Hα-helixtrans-113.2-2.7-170.9-166.10000113A189 G196 V197A189-C193 WeakPolarHBondContact O-CA 3.46Å; A189-C193 WeakPolarHBondContact O-CB 3.4Å; A189-C193 PolarHBondContact O-N 3.29Å; C193-G196 PolarHBondContact O-N 2.95Å; C193-V197 HydrophobicContact CB-CG2 3.58Å
194G75.6Confident73.8Confident23 Ų23100.3 Ų100.324%0.23748%0.479CS..THydrogen-bonded Turntrans56.1-142.6170.400000114F190 G196 V197F190-G194 WeakPolarHBondContact O-CA 3.35Å; F190-G194 PolarHBondContact O-N 3.33Å; G194-G196 PolarHBondContact O-N 3.44Å; G194-V197 PolarHBondContact O-N 3.25Å
195W73Confident74.5Confident147 Ų14792.8 Ų92.856%0.55745%0.454SS*.THydrogen-bonded Turntrans-65.3-15.7-179.9-144.8-92.4000113.5V197 F198 F199W195-V197 PolarHBondContact O-N 2.89Å; W195-F198 AromaticContact NE1-CD1 3.91Å; W195-F198 VanDerWaalsContact O-CB 3.27Å; W195-F198 WeakPolarHBondContact O-CB 3.35Å; W195-F198 PolarHBondContact O-N 3.23Å; W195-F199 AromaticContact CD1-CE2 3.95Å
196G71.2Confident75.3Confident37 Ų3794.5 Ų94.538%0.38145%0.454SS..Hα-helixtrans-59-35.3175.100000112.6C193 G194 F198 F199 F200C193-G196 PolarHBondContact O-N 2.95Å; G194-G196 PolarHBondContact O-N 3.44Å; G196-F198 VanDerWaalsContact C-N 3.25Å; G196-F198 PolarHBondContact O-N 2.76Å; G196-F199 PolarHBondContact O-N 3.33Å; G196-F200 PolarHBondContact O-N 2.87Å
197V75.1Confident76.2Confident18 Ų1895.6 Ų95.611%0.10947%0.466CS..Hα-helixtrans-59.9-38.4175.2-176.30000110.9A189 C193 G194 W195 F199 F200 L201A189-V197 HydrophobicContact CB-CG2 4.43Å; A189-V197 WeakPolarHBondContact O-CG2 3.44Å; C193-V197 HydrophobicContact CB-CG2 3.58Å; G194-V197 PolarHBondContact O-N 3.25Å; W195-V197 PolarHBondContact O-N 2.89Å; V197-F199 VanDerWaalsContact C-N 3.33Å; V197-F199 PolarHBondContact O-N 3.4Å; V197-F200 PolarHBondContact O-N 3.47Å; V197-L201 HydrophobicContact CG1-CD1 3.89Å; V197-L201 HydrophobicContact CG1-CG 4.17Å; V197-L201 WeakPolarHBondContact O-CB 3.4Å; V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 3.27Å
198F76.1Confident77Confident97 Ų9796.1 Ų96.143%0.42546%0.464SS..Hα-helixtrans-61.6-40.2178.9-178.8-95.7000112.1W195 G196 L201 W202W195-F198 AromaticContact NE1-CD1 3.91Å; W195-F198 VanDerWaalsContact O-CB 3.27Å; W195-F198 WeakPolarHBondContact O-CB 3.35Å; W195-F198 PolarHBondContact O-N 3.23Å; G196-F198 VanDerWaalsContact C-N 3.25Å; G196-F198 PolarHBondContact O-N 2.76Å; F198-L201 PolarHBondContact O-N 3.33Å; F198-W202 WeakPolarHBondContact O-CB 3.25Å; F198-W202 PolarHBondContact O-N 2.87Å
199F71.5Confident77.8Confident102 Ų10296.3 Ų96.345%0.44746%0.461SS..Hα-helixtrans-66.7-43.6177.4-73.2-73.6000112.9F99 W195 G196 V197 L201 W202 S203F99-F199 AromaticContact CD1-CE1 3.81Å; F99-F199 HydrophobicContact CD1-CE1 3.81Å; F99-F199 AromaticContact CD1-CZ 3.63Å; F99-F199 HydrophobicContact CD1-CZ 3.63Å; F99-F199 AromaticContact CE1-CE1 3.94Å; F99-F199 HydrophobicContact CE1-CE1 3.94Å; F99-F199 AromaticContact CE1-CZ 3.48Å; F99-F199 HydrophobicContact CE1-CZ 3.48Å; F99-F199 VanDerWaalsContact CE1-CZ 3.48Å; W195-F199 AromaticContact CD1-CE2 3.95Å; G196-F199 PolarHBondContact O-N 3.33Å; V197-F199 VanDerWaalsContact C-N 3.33Å; V197-F199 PolarHBondContact O-N 3.4Å; F199-L201 VanDerWaalsContact C-N 3.31Å; F199-L201 PolarHBondContact O-N 2.86Å; F199-W202 PolarHBondContact O-N 3.38Å; F199-S203 PolarHBondContact O-N 2.89Å
200F75.9Confident78.6Confident149 Ų149101.9 Ų101.965%0.65448%0.48SS*.Hα-helixtrans-61-44.5175.3-177.3-98.2000110.6G196 V197 W202 S203 Y204G196-F200 PolarHBondContact O-N 2.87Å; V197-F200 PolarHBondContact O-N 3.47Å; F200-W202 VanDerWaalsContact C-N 3.35Å; F200-W202 PolarHBondContact O-N 3.25Å; F200-S203 PolarHBondContact O-N 3.31Å; F200-Y204 VanDerWaalsContact O-CB 3.28Å; F200-Y204 WeakPolarHBondContact O-CB 3.11Å; F200-Y204 PolarHBondContact O-N 2.83Å
201L78.4Confident79.6Confident58 Ų58100.2 Ų100.230%0.30448%0.484SS..Hα-helixtrans-59.9-42.6174.1-71173.5000111.8V197 F198 F199 Y204 I205V197-L201 HydrophobicContact CG1-CD1 3.89Å; V197-L201 HydrophobicContact CG1-CG 4.17Å; V197-L201 WeakPolarHBondContact O-CB 3.4Å; V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 3.27Å; F198-L201 PolarHBondContact O-N 3.33Å; F199-L201 VanDerWaalsContact C-N 3.31Å; F199-L201 PolarHBondContact O-N 2.86Å; L201-Y204 PolarHBondContact O-N 2.9Å; L201-I205 WeakPolarHBondContact O-CB 3.36Å; L201-I205 WeakPolarHBondContact O-CD1 3.38Å; L201-I205 WeakPolarHBondContact O-CG1 3.28Å; L201-I205 PolarHBondContact O-N 3.49Å
202W80.8Confident80.3Confident138 Ų13896.5 Ų96.552%0.52347%0.47SS..Hα-helixtrans-63.3-45178.2-178.3-111.8000112.6F198 F199 F200 Y204 I205 K206F198-W202 WeakPolarHBondContact O-CB 3.25Å; F198-W202 PolarHBondContact O-N 2.87Å; F199-W202 PolarHBondContact O-N 3.38Å; F200-W202 VanDerWaalsContact C-N 3.35Å; F200-W202 PolarHBondContact O-N 3.25Å; W202-Y204 VanDerWaalsContact C-N 3.32Å; W202-Y204 PolarHBondContact O-N 3.4Å; W202-I205 PolarHBondContact O-N 2.85Å; W202-K206 HydrophobicContact CZ2-CD 4.5Å; W202-K206 WeakPolarHBondContact O-CG 3.22Å; W202-K206 PolarHBondContact O-N 2.97Å
203S79.2Confident81Confident74 Ų7492 Ų9252%0.51745%0.452SS..Hα-helixtrans-61.9-43.1175.4-166.40000111.2F199 F200 K206 S207F199-S203 PolarHBondContact O-N 2.89Å; F200-S203 PolarHBondContact O-N 3.31Å; S203-K206 PolarHBondContact O-N 3.11Å; S203-S207 PolarHBondContact O-N 2.97Å
204Y81.2Confident82.1Confident135 Ų13595 Ų9553%0.52946%0.457SS..Hα-helixtrans-64.3-44.4177.3-174.4-112.2000112.3F200 L201 W202 K206 S207 I208F200-Y204 VanDerWaalsContact O-CB 3.28Å; F200-Y204 WeakPolarHBondContact O-CB 3.11Å; F200-Y204 PolarHBondContact O-N 2.83Å; L201-Y204 PolarHBondContact O-N 2.9Å; W202-Y204 VanDerWaalsContact C-N 3.32Å; W202-Y204 PolarHBondContact O-N 3.4Å; Y204-K206 PolarHBondContact O-N 2.95Å; Y204-S207 WeakPolarHBondContact O-CB 3.48Å; Y204-S207 PolarHBondContact O-N 3.28Å; Y204-I208 HydrophobicContact CD1-CD1 3.51Å; Y204-I208 HydrophobicContact CD1-CG1 4.44Å; Y204-I208 HydrophobicContact CE1-CD1 3.16Å; Y204-I208 HydrophobicContact CE1-CG1 4.16Å; Y204-I208 HydrophobicContact CE2-CD1 4.3Å; Y204-I208 HydrophobicContact CE2-CG1 4.5Å; Y204-I208 HydrophobicContact CG-CD1 4.23Å; Y204-I208 WeakPolarHBondContact O-CG1 3.41Å; Y204-I208 PolarHBondContact O-N 3.44Å
205I84.1Confident82.9Confident51 Ų51102.6 Ų102.626%0.26248%0.479SS..Hα-helixtrans-59-46.4175.3-72.1162.5000110.3L201 W202 S207 I208 I209L201-I205 WeakPolarHBondContact O-CB 3.36Å; L201-I205 WeakPolarHBondContact O-CD1 3.38Å; L201-I205 WeakPolarHBondContact O-CG1 3.28Å; L201-I205 PolarHBondContact O-N 3.49Å; W202-I205 PolarHBondContact O-N 2.85Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 3.43Å; I205-I208 PolarHBondContact O-N 2.69Å; I205-I209 HydrophobicContact CG2-CD1 3.69Å; I205-I209 HydrophobicContact CG2-CG1 4.32Å; I205-I209 VanDerWaalsContact O-CG1 3.27Å; I205-I209 WeakPolarHBondContact O-CG1 3.4Å; I205-I209 PolarHBondContact O-N 3.44Å
206K84.9Confident83.8Confident112 Ų11298.7 Ų98.749%0.48747%0.468SS..Hα-helixtrans-59.8-43.7176.2-75.3-169-67.5172.60112W202 S203 Y204 I208 I209 F210W202-K206 HydrophobicContact CZ2-CD 4.5Å; W202-K206 WeakPolarHBondContact O-CG 3.22Å; W202-K206 PolarHBondContact O-N 2.97Å; S203-K206 PolarHBondContact O-N 3.11Å; Y204-K206 PolarHBondContact O-N 2.95Å; K206-I208 VanDerWaalsContact C-N 3.34Å; K206-I208 PolarHBondContact O-N 3.4Å; K206-I209 PolarHBondContact O-N 3.1Å; K206-F210 PolarHBondContact O-N 3.02Å
207S86Confident84.9Confident78 Ų78101.2 Ų101.255%0.54548%0.476SS..Hα-helixtrans-61.4-42.3176.6-168.50000111.9S203 Y204 I205 F210 A211S203-S207 PolarHBondContact O-N 2.97Å; Y204-S207 WeakPolarHBondContact O-CB 3.48Å; Y204-S207 PolarHBondContact O-N 3.28Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 3.43Å; S207-F210 PolarHBondContact O-N 3.28Å; S207-A211 WeakPolarHBondContact O-CB 3.41Å; S207-A211 PolarHBondContact O-N 2.83Å
208I85.3Confident85.8Confident59 Ų59107.7 Ų107.730%0.30350%0.5SS..Hα-helixtrans-62.6-47.4175.1-71.7166.4000110.6Y204 I205 K206 F210 A211 Y212Y204-I208 HydrophobicContact CD1-CD1 3.51Å; Y204-I208 HydrophobicContact CD1-CG1 4.44Å; Y204-I208 HydrophobicContact CE1-CD1 3.16Å; Y204-I208 HydrophobicContact CE1-CG1 4.16Å; Y204-I208 HydrophobicContact CE2-CD1 4.3Å; Y204-I208 HydrophobicContact CE2-CG1 4.5Å; Y204-I208 HydrophobicContact CG-CD1 4.23Å; Y204-I208 WeakPolarHBondContact O-CG1 3.41Å; Y204-I208 PolarHBondContact O-N 3.44Å; I205-I208 PolarHBondContact O-N 2.69Å; K206-I208 VanDerWaalsContact C-N 3.34Å; K206-I208 PolarHBondContact O-N 3.4Å; I208-F210 PolarHBondContact O-N 3.34Å; I208-A211 PolarHBondContact O-N 3.44Å; I208-Y212 HydrophobicContact CG2-CD2 3.91Å; I208-Y212 WeakPolarHBondContact O-CD2 3.45Å; I208-Y212 PolarHBondContact O-N 3.48Å
209I87.4Confident86.7Confident91 Ų91106.4 Ų106.447%0.46749%0.492SS..Hα-helixtrans-57-44-179.4-71.1166.6000110.3I205 K206 R213 I216I205-I209 HydrophobicContact CG2-CD1 3.69Å; I205-I209 HydrophobicContact CG2-CG1 4.32Å; I205-I209 VanDerWaalsContact O-CG1 3.27Å; I205-I209 WeakPolarHBondContact O-CG1 3.4Å; I205-I209 PolarHBondContact O-N 3.44Å; K206-I209 PolarHBondContact O-N 3.1Å; I209-R213 WeakPolarHBondContact O-CA 3.18Å; I209-R213 PolarHBondContact O-N 3.36Å; I209-I216 HydrophobicContact CB-CD1 4.12Å; I209-I216 HydrophobicContact CG1-CD1 4.04Å; I209-I216 HydrophobicContact CG2-CD1 4.04Å
210F89.2Confident87.8Confident153 Ų153104.2 Ų104.267%0.67149%0.487SS*.Hα-helixtrans-67.1-43.9178.6-172.2-100.3000112.8K206 S207 I208K206-F210 PolarHBondContact O-N 3.02Å; S207-F210 PolarHBondContact O-N 3.28Å; I208-F210 PolarHBondContact O-N 3.34Å
211A91.5Very high88.7Confident66 Ų66100.8 Ų100.855%0.54548%0.478SS..Hα-helixtrans-64.1-41.6179.200000112.3S207 I208S207-A211 WeakPolarHBondContact O-CB 3.41Å; S207-A211 PolarHBondContact O-N 2.83Å; I208-A211 PolarHBondContact O-N 3.44Å
212Y90.8Very high89.6Confident132 Ų132105.1 Ų105.152%0.51850%0.495SS..THydrogen-bonded Turntrans-104.419.1-174-67-87000114I208 K214 W215 I216I208-Y212 HydrophobicContact CG2-CD2 3.91Å; I208-Y212 WeakPolarHBondContact O-CD2 3.45Å; I208-Y212 PolarHBondContact O-N 3.48Å; Y212-K214 PolarHBondContact O-N 3.3Å; Y212-W215 AromaticContact CD1-CD1 3.72Å; Y212-W215 HydrophobicContact CD1-CG 4.42Å; Y212-W215 WeakPolarHBondContact O-CB 3.44Å; Y212-W215 PolarHBondContact O-N 2.92Å; Y212-I216 PolarHBondContact O-N 2.84Å
213R92.1Very high90.3Very high136 Ų13699.6 Ų99.651%0.51348%0.476SS..Hα-helixtrans-46.8-41.9-176.369.5-177.6-177.6-84.94114.4I209 I216 V217I209-R213 WeakPolarHBondContact O-CA 3.18Å; I209-R213 PolarHBondContact O-N 3.36Å; R213-I216 PolarHBondContact O-N 3.46Å; R213-V217 WeakPolarHBondContact O-CG2 3.48Å; R213-V217 PolarHBondContact O-N 2.84Å; R213-V217 VanDerWaalsContact O-N 3.07Å
214K94.6Very high91.1Very high140 Ų14097.1 Ų97.161%0.60946%0.459SS*.Hα-helixtrans-65.4-43.1-179.8-64-176.5-176.6178.60111.6Y212 V217 Y218Y212-K214 PolarHBondContact O-N 3.3Å; K214-V217 PolarHBondContact O-N 3.34Å; K214-Y218 WeakPolarHBondContact O-CD2 3.45Å; K214-Y218 PolarHBondContact O-N 2.99Å; K214-Y218 VanDerWaalsContact O-N 3.1Å
215W93.3Very high91.7Very high181 Ų18195.7 Ų95.769%0.68646%0.46SS*.Hα-helixtrans-67-36.8177.7-65102.2000112.1Y212 V217 Y218 Y219Y212-W215 AromaticContact CD1-CD1 3.72Å; Y212-W215 HydrophobicContact CD1-CG 4.42Å; Y212-W215 WeakPolarHBondContact O-CB 3.44Å; Y212-W215 PolarHBondContact O-N 2.92Å; W215-V217 VanDerWaalsContact C-N 3.34Å; W215-Y218 HydrophobicContact CE3-CD2 4.49Å; W215-Y218 PolarHBondContact O-N 3.23Å; W215-Y219 WeakPolarHBondContact O-CB 3.36Å; W215-Y219 PolarHBondContact O-N 2.84Å
216I90.4Very high92.2Very high65 Ų6595.7 Ų95.733%0.33347%0.467SS..Hα-helixtrans-63-41.8174.1-65.5172.4000110.6I209 Y212 R213 Y219 V220I209-I216 HydrophobicContact CB-CD1 4.12Å; I209-I216 HydrophobicContact CG1-CD1 4.04Å; I209-I216 HydrophobicContact CG2-CD1 4.04Å; Y212-I216 PolarHBondContact O-N 2.84Å; R213-I216 PolarHBondContact O-N 3.46Å; I216-Y219 WeakPolarHBondContact O-CB 3.26Å; I216-Y219 PolarHBondContact O-N 3.49Å; I216-V220 HydrophobicContact CG2-CG2 4.44Å; I216-V220 WeakPolarHBondContact O-CG2 3.18Å; I216-V220 PolarHBondContact O-N 3.44Å
217V94.1Very high92.6Very high90 Ų9090.9 Ų90.955%0.54545%0.449SS..Hα-helixtrans-61.3-47.6175.5172.60000111R213 K214 W215 Y219 V220 V221R213-V217 WeakPolarHBondContact O-CG2 3.48Å; R213-V217 PolarHBondContact O-N 2.84Å; R213-V217 VanDerWaalsContact O-N 3.07Å; K214-V217 PolarHBondContact O-N 3.34Å; W215-V217 VanDerWaalsContact C-N 3.34Å; V217-Y219 VanDerWaalsContact C-N 3.29Å; V217-Y219 PolarHBondContact O-N 2.98Å; V217-V220 PolarHBondContact O-N 2.96Å; V217-V221 HydrophobicContact CG1-CG2 4.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.2Å; V217-V221 PolarHBondContact O-N 2.69Å
218Y95Very high92.9Very high155 Ų15591 Ų9161%0.60844%0.44SS*.Hα-helixtrans-59.5-40.6176.1-66.6-51.8000112.6K214 W215 V221 F222K214-Y218 WeakPolarHBondContact O-CD2 3.45Å; K214-Y218 PolarHBondContact O-N 2.99Å; K214-Y218 VanDerWaalsContact O-N 3.1Å; W215-Y218 HydrophobicContact CE3-CD2 4.49Å; W215-Y218 PolarHBondContact O-N 3.23Å; Y218-V221 PolarHBondContact O-N 3.45Å; Y218-F222 WeakPolarHBondContact O-CB 3.25Å; Y218-F222 PolarHBondContact O-N 3.22Å
219Y94.7Very high93.3Very high70 Ų7092 Ų9228%0.27545%0.452SS..Hα-helixtrans-60.5-49.4175.5171.3-97.6000112.1S169 V170 L173 W215 I216 V217 V221 F222 V223S169-Y219 WeakPolarHBondContact CB-OH 3.18Å; S169-Y219 PolarHBondContact O-OH 3.25Å; S169-Y219 PolarHBondContact OG-OH 3.44Å; V170-Y219 HydrophobicContact CG2-CE1 4.39Å; L173-Y219 HydrophobicContact CD1-CE1 4.27Å; L173-Y219 HydrophobicContact CD1-CE2 3.86Å; L173-Y219 WeakPolarHBondContact CD1-OH 3.46Å; W215-Y219 WeakPolarHBondContact O-CB 3.36Å; W215-Y219 PolarHBondContact O-N 2.84Å; I216-Y219 WeakPolarHBondContact O-CB 3.26Å; I216-Y219 PolarHBondContact O-N 3.49Å; V217-Y219 VanDerWaalsContact C-N 3.29Å; V217-Y219 PolarHBondContact O-N 2.98Å; Y219-V221 VanDerWaalsContact C-N 3.33Å; Y219-V221 PolarHBondContact O-N 2.8Å; Y219-F222 PolarHBondContact O-N 3.48Å; Y219-V223 HydrophobicContact CD2-CG2 4.13Å; Y219-V223 HydrophobicContact CE1-CG2 4.16Å; Y219-V223 HydrophobicContact CE2-CG2 3.75Å; Y219-V223 WeakPolarHBondContact O-CG2 3.37Å; Y219-V223 PolarHBondContact O-N 3.47Å
220V94.5Very high93.4Very high55 Ų5596.3 Ų96.333%0.33346%0.462SS..Hα-helixtrans-60.7-43.2179170.40000111V166 I216 V217 S224V166-V220 HydrophobicContact CG1-CG2 4.15Å; V166-V220 HydrophobicContact CG2-CG1 4.23Å; I216-V220 HydrophobicContact CG2-CG2 4.44Å; I216-V220 WeakPolarHBondContact O-CG2 3.18Å; I216-V220 PolarHBondContact O-N 3.44Å; V217-V220 PolarHBondContact O-N 2.96Å; V220-S224 VanDerWaalsContact O-CB 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.36Å; V220-S224 PolarHBondContact O-N 2.94Å; V220-S224 PolarHBondContact O-OG 3.35Å
221V96Very high93.4Very high78 Ų7890.5 Ų90.547%0.47344%0.438SS..Hα-helixtrans-62.2-47.7177.11720000110.9V217 Y218 Y219 S224 L225V217-V221 HydrophobicContact CG1-CG2 4.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.2Å; V217-V221 PolarHBondContact O-N 2.69Å; Y218-V221 PolarHBondContact O-N 3.45Å; Y219-V221 VanDerWaalsContact C-N 3.33Å; Y219-V221 PolarHBondContact O-N 2.8Å; V221-S224 PolarHBondContact O-N 3.44Å; V221-L225 HydrophobicContact CG1-CD1 4.07Å; V221-L225 HydrophobicContact CG1-CG 4.47Å; V221-L225 WeakPolarHBondContact O-CG 3.34Å; V221-L225 PolarHBondContact O-N 3.17Å
222F95.8Very high93.3Very high149 Ų14996.1 Ų96.165%0.65445%0.446SS*.Hα-helixtrans-62.2-47.4-179.6-178.8-98.4000112.4Y218 Y219 S224 L225 A226Y218-F222 WeakPolarHBondContact O-CB 3.25Å; Y218-F222 PolarHBondContact O-N 3.22Å; Y219-F222 PolarHBondContact O-N 3.48Å; F222-S224 VanDerWaalsContact C-N 3.31Å; F222-S224 PolarHBondContact O-N 3.1Å; F222-L225 PolarHBondContact O-N 3.37Å; F222-A226 PolarHBondContact O-N 2.94Å
223V96.2Very high93.3Very high21 Ų21100.3 Ų100.313%0.12746%0.461CS..Hα-helixtrans-63.7-39177.5174.10000111A165 V166 Y219 A226 A227A165-V223 HydrophobicContact CB-CG1 4.24Å; V166-V223 HydrophobicContact CG2-CB 4.33Å; V166-V223 HydrophobicContact CG2-CG1 4.01Å; Y219-V223 HydrophobicContact CD2-CG2 4.13Å; Y219-V223 HydrophobicContact CE1-CG2 4.16Å; Y219-V223 HydrophobicContact CE2-CG2 3.75Å; Y219-V223 WeakPolarHBondContact O-CG2 3.37Å; Y219-V223 PolarHBondContact O-N 3.47Å; V223-A226 PolarHBondContact O-N 3.44Å; V223-A227 WeakPolarHBondContact O-CB 3.31Å; V223-A227 PolarHBondContact O-N 3.31Å
224S95.3Very high93Very high22 Ų22104 Ų10415%0.15448%0.475CS..Hα-helixtrans-64.9-42.6177.1-58.40000112V220 V221 F222 A227 F228V220-S224 VanDerWaalsContact O-CB 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.36Å; V220-S224 PolarHBondContact O-N 2.94Å; V220-S224 PolarHBondContact O-OG 3.35Å; V221-S224 PolarHBondContact O-N 3.44Å; F222-S224 VanDerWaalsContact C-N 3.31Å; F222-S224 PolarHBondContact O-N 3.1Å; S224-A227 WeakPolarHBondContact O-CB 3.37Å; S224-A227 PolarHBondContact O-N 2.93Å; S224-F228 WeakPolarHBondContact O-CD2 3.29Å; S224-F228 WeakPolarHBondContact O-CG 3.38Å; S224-F228 PolarHBondContact O-N 2.79Å
225L95.4Very high92.3Very high105 Ų10599.3 Ų99.355%0.5547%0.467SS..Hα-helixtrans-63.5-40.3174.9-71.7173.7000112.4V221 F222 F228 S229V221-L225 HydrophobicContact CG1-CD1 4.07Å; V221-L225 HydrophobicContact CG1-CG 4.47Å; V221-L225 WeakPolarHBondContact O-CG 3.34Å; V221-L225 PolarHBondContact O-N 3.17Å; F222-L225 PolarHBondContact O-N 3.37Å; L225-F228 PolarHBondContact O-N 2.72Å; L225-S229 WeakPolarHBondContact O-CB 3.37Å; L225-S229 PolarHBondContact O-N 2.98Å; L225-S229 PolarHBondContact O-OG 2.98Å
226A93.2Very high91.7Very high51 Ų5192.5 Ų92.542%0.42145%0.445SS..Hα-helixtrans-64.2-41.7173.900000111.2F222 V223 S229 W230F222-A226 PolarHBondContact O-N 2.94Å; V223-A226 PolarHBondContact O-N 3.44Å; A226-S229 PolarHBondContact O-N 3.48Å; A226-W230 WeakPolarHBondContact O-CB 3.22Å; A226-W230 PolarHBondContact O-N 3.05Å
227A93.6Very high90.9Very high11 Ų1191.7 Ų91.79%0.09144%0.444CS..Hα-helixtrans-63.7-44176.400000112A165 V223 S224 S229 W230 I231A165-A227 HydrophobicContact CB-CB 3.49Å; A165-A227 VanDerWaalsContact CB-CB 3.49Å; V223-A227 WeakPolarHBondContact O-CB 3.31Å; V223-A227 PolarHBondContact O-N 3.31Å; S224-A227 WeakPolarHBondContact O-CB 3.37Å; S224-A227 PolarHBondContact O-N 2.93Å; A227-S229 VanDerWaalsContact C-N 3.35Å; A227-S229 PolarHBondContact O-N 2.94Å; A227-W230 PolarHBondContact O-N 3.33Å; A227-I231 VanDerWaalsContact O-CG1 3.26Å; A227-I231 WeakPolarHBondContact O-CG1 3.4Å; A227-I231 PolarHBondContact O-N 3.15Å
228F93.2Very high89.9Confident82 Ų8294.1 Ų94.136%0.3645%0.453SS..Hα-helixtrans-60.3-45.1173.6-68.6-46.6000111.6Y158 A162 S224 L225 W230 I231 Y232Y158-F228 AromaticContact CD1-CD1 3.94Å; Y158-F228 HydrophobicContact CD1-CD1 3.94Å; Y158-F228 HydrophobicContact CG-CD1 4.28Å; Y158-F228 WeakPolarHBondContact O-CE1 3.2Å; A162-F228 HydrophobicContact CB-CE1 4.1Å; A162-F228 HydrophobicContact CB-CZ 4.09Å; S224-F228 WeakPolarHBondContact O-CD2 3.29Å; S224-F228 WeakPolarHBondContact O-CG 3.38Å; S224-F228 PolarHBondContact O-N 2.79Å; L225-F228 PolarHBondContact O-N 2.72Å; F228-W230 VanDerWaalsContact C-N 3.3Å; F228-W230 PolarHBondContact O-N 3.2Å; F228-I231 PolarHBondContact O-N 3.22Å; F228-Y232 WeakPolarHBondContact O-CB 3.27Å; F228-Y232 PolarHBondContact O-N 3.46Å
229S92.1Very high89.4Confident80 Ų8093.5 Ų93.556%0.55946%0.455SS*.Hα-helixtrans-60.9-40.4177.1-56.30000111.7L225 A226 A227 R233L225-S229 WeakPolarHBondContact O-CB 3.37Å; L225-S229 PolarHBondContact O-N 2.98Å; L225-S229 PolarHBondContact O-OG 2.98Å; A226-S229 PolarHBondContact O-N 3.48Å; A227-S229 VanDerWaalsContact C-N 3.35Å; A227-S229 PolarHBondContact O-N 2.94Å; S229-R233 PolarHBondContact O-N 3.06Å; S229-R233 VanDerWaalsContact O-N 3.11Å
230W90.2Very high89Confident181 Ų18196.1 Ų96.169%0.68647%0.468SS*.Hα-helixtrans-66.8-48.6178.5-170.3-95.4000112.4A226 A227 F228 Y232 R233 W234A226-W230 WeakPolarHBondContact O-CB 3.22Å; A226-W230 PolarHBondContact O-N 3.05Å; A227-W230 PolarHBondContact O-N 3.33Å; F228-W230 VanDerWaalsContact C-N 3.3Å; F228-W230 PolarHBondContact O-N 3.2Å; W230-Y232 VanDerWaalsContact C-N 3.32Å; W230-Y232 PolarHBondContact O-N 2.98Å; W230-R233 PolarHBondContact O-N 2.92Å; W230-W234 PolarHBondContact O-N 3.41Å
231I89.5Confident88.8Confident31 Ų31102 Ų10216%0.15948%0.484CS..Hα-helixtrans-65.8-38.2178.6-63163.8000110.5Y158 A227 F228 R233 W234 G235 T236Y158-I231 HydrophobicContact CD1-CB 3.99Å; Y158-I231 HydrophobicContact CD1-CD1 4.49Å; Y158-I231 HydrophobicContact CD1-CG2 3.64Å; Y158-I231 HydrophobicContact CE1-CB 3.89Å; Y158-I231 HydrophobicContact CE1-CG2 3.46Å; Y158-I231 VanDerWaalsContact CE1-CG2 3.46Å; A227-I231 VanDerWaalsContact O-CG1 3.26Å; A227-I231 WeakPolarHBondContact O-CG1 3.4Å; A227-I231 PolarHBondContact O-N 3.15Å; F228-I231 PolarHBondContact O-N 3.22Å; I231-R233 VanDerWaalsContact C-N 3.26Å; I231-R233 PolarHBondContact O-N 3.42Å; I231-W234 PolarHBondContact O-N 3.12Å; I231-G235 WeakPolarHBondContact O-CA 3.41Å; I231-G235 PolarHBondContact O-N 2.81Å; I231-T236 HydrophobicContact CG2-CG2 4.08Å
232Y89.1Confident88.4Confident183 Ų183100.9 Ų100.972%0.71848%0.478SS*.Hα-helixtrans-60.7-37.8175.3-178-100.2000111.8F228 W230F228-Y232 WeakPolarHBondContact O-CB 3.27Å; F228-Y232 PolarHBondContact O-N 3.46Å; W230-Y232 VanDerWaalsContact C-N 3.32Å; W230-Y232 PolarHBondContact O-N 2.98Å
233R90.4Very high88.2Confident221 Ų22197.4 Ų97.483%0.83446%0.462SS*.Hα-helixtrans-72.9-40.3178.3-17559.2172.6-174.80.2113.3S229 W230 I231S229-R233 PolarHBondContact O-N 3.06Å; S229-R233 VanDerWaalsContact O-N 3.11Å; W230-R233 PolarHBondContact O-N 2.92Å; I231-R233 VanDerWaalsContact C-N 3.26Å; I231-R233 PolarHBondContact O-N 3.42Å
234W86.1Confident88Confident212 Ų212100.8 Ų100.880%0.80348%0.477SS*.Hα-helixtrans-84.7-21.6-177.2-154.7-81000113.2W230 I231W230-W234 PolarHBondContact O-N 3.41Å; I231-W234 PolarHBondContact O-N 3.12Å
235G81Confident87.8Confident42 Ų42105.3 Ų105.343%0.43350%0.498SS..  trans89.3158.9-176.100000113.2I231I231-G235 WeakPolarHBondContact O-CA 3.41Å; I231-G235 PolarHBondContact O-N 2.81Å
236T80.4Confident87.6Confident39 Ų39102 Ų10224%0.23948%0.479CS..  trans-87.7152.6175.650.20000110.9T154 Y158 I231 I238T154-T236 HydrophobicContact CG2-CG2 3.89Å; Y158-T236 HydrophobicContact CD2-CG2 4.45Å; Y158-T236 HydrophobicContact CE1-CG2 4.44Å; Y158-T236 HydrophobicContact CE2-CG2 3.92Å; I231-T236 HydrophobicContact CG2-CG2 4.08Å; T236-I238 PolarHBondContact O-N 3.48Å
237P72.4Confident87.6Confident47 Ų47101 Ų10131%0.30547%0.466SS..  trans-65.6120.3-179.725.1-33000111.7Y157 T242Y157-P237 HydrophobicContact CD1-CG 3.58Å; Y157-P237 HydrophobicContact CE1-CG 3.59Å; Y157-P237 HydrophobicContact CG-CG 4.34Å; P237-T242 HydrophobicContact CB-CG2 3.61Å; P237-T242 HydrophobicContact CG-CG2 4.06Å
238I72.8Confident87.6Confident142 Ų142106.8 Ų106.873%0.72849%0.486SS*.  trans-90.8-29-178.2-54.9168.8000111.3T236T236-I238 PolarHBondContact O-N 3.48Å
239H85Confident87.7Confident142 Ų142105 Ų10566%0.65749%0.487SS*.  trans-63.6135.6-169-62.2-60.7000113.4R241 T242 K243H239-R241 VanDerWaalsContact C-N 3.26Å; H239-R241 PolarHBondContact O-N 3.11Å; H239-T242 PolarHBondContact O-N 2.82Å; H239-T242 VanDerWaalsContact O-N 3.09Å; H239-K243 PolarHBondContact O-N 3.42Å
240F87.5Confident87.8Confident125 Ų125102.3 Ų102.355%0.54847%0.465SS..Hα-helixtrans-57.6-38.4-179.692.7-93.5000112.6T242 K243 Q244F240-T242 VanDerWaalsContact C-N 3.33Å; F240-T242 PolarHBondContact O-N 2.74Å; F240-K243 WeakPolarHBondContact O-CB 3.39Å; F240-K243 PolarHBondContact O-N 3.46Å; F240-Q244 PolarHBondContact O-N 2.9Å; F240-Q244 VanDerWaalsContact O-N 3.08Å
241R90.6Very high88Confident178 Ų17895.9 Ų95.967%0.67244%0.441SS*.Hα-helixtrans-63-39.5178.7-65.4-174.9-178.9154.3-0.4111.9H239 K243 Q244 I245H239-R241 VanDerWaalsContact C-N 3.26Å; H239-R241 PolarHBondContact O-N 3.11Å; R241-K243 VanDerWaalsContact C-N 3.31Å; R241-K243 PolarHBondContact O-N 3.08Å; R241-Q244 PolarHBondContact O-N 2.94Å; R241-I245 WeakPolarHBondContact O-CG1 3.18Å; R241-I245 PolarHBondContact O-N 2.97Å
242T87.6Confident88.4Confident54 Ų5499.4 Ų99.433%0.33146%0.459SS..Hα-helixtrans-65.4-38.6177.5-49.50000110.9P237 H239 F240 I245 F246P237-T242 HydrophobicContact CB-CG2 3.61Å; P237-T242 HydrophobicContact CG-CG2 4.06Å; H239-T242 PolarHBondContact O-N 2.82Å; H239-T242 VanDerWaalsContact O-N 3.09Å; F240-T242 VanDerWaalsContact C-N 3.33Å; F240-T242 PolarHBondContact O-N 2.74Å; T242-I245 PolarHBondContact O-N 3.48Å; T242-F246 VanDerWaalsContact O-CB 3.3Å; T242-F246 WeakPolarHBondContact O-CB 3.34Å; T242-F246 PolarHBondContact O-N 3.04Å
243K89.8Confident88.7Confident77 Ų7794.2 Ų94.234%0.33545%0.446SS..Hα-helixtrans-61.7-43.6174.6-60.5-171.3176.1-178.30111.8H239 F240 R241 F246 E247H239-K243 PolarHBondContact O-N 3.42Å; F240-K243 WeakPolarHBondContact O-CB 3.39Å; F240-K243 PolarHBondContact O-N 3.46Å; R241-K243 VanDerWaalsContact C-N 3.31Å; R241-K243 PolarHBondContact O-N 3.08Å; K243-F246 PolarHBondContact O-N 2.69Å; K243-E247 PolarHBondContact O-N 3.46Å
244Q91.8Very high88.9Confident91 Ų9183.7 Ų83.743%0.42541%0.406SS..Hα-helixtrans-64.2-45.9176.5-70179.40.300112.5F240 R241 F246 E247 Y248F240-Q244 PolarHBondContact O-N 2.9Å; F240-Q244 VanDerWaalsContact O-N 3.08Å; R241-Q244 PolarHBondContact O-N 2.94Å; Q244-F246 VanDerWaalsContact C-N 3.25Å; Q244-F246 PolarHBondContact O-N 3.38Å; Q244-E247 WeakPolarHBondContact O-CB 3.44Å; Q244-E247 PolarHBondContact O-N 2.89Å; Q244-Y248 HydrophobicContact CB-CE2 4.48Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.35Å; Q244-Y248 PolarHBondContact O-N 3.24Å
245I92.4Very high89.4Confident118 Ų11874.6 Ų74.661%0.60538%0.377SS*.Hα-helixtrans-59.6-41.7176.5-67.4165.5000110.4R241 T242 Y248 A249R241-I245 WeakPolarHBondContact O-CG1 3.18Å; R241-I245 PolarHBondContact O-N 2.97Å; T242-I245 PolarHBondContact O-N 3.48Å; I245-Y248 PolarHBondContact O-N 3.42Å; I245-A249 WeakPolarHBondContact O-CB 3.41Å; I245-A249 PolarHBondContact O-N 2.91Å
246F91.2Very high90.2Very high36 Ų3676.8 Ų76.816%0.15838%0.378CS..Hα-helixtrans-65-41.7177.9-171.5-94.2000112.1T156 Y157 C160 T242 K243 Q244 A249 M250T156-F246 HydrophobicContact CG2-CE1 3.76Å; T156-F246 HydrophobicContact CG2-CZ 3.77Å; Y157-F246 HydrophobicContact CE1-CD1 4.38Å; Y157-F246 HydrophobicContact CE1-CD2 4.22Å; Y157-F246 HydrophobicContact CE1-CG 4.1Å; C160-F246 HydrophobicContact CB-CE2 4.28Å; C160-F246 HydrophobicContact CB-CZ 4.41Å; T242-F246 VanDerWaalsContact O-CB 3.3Å; T242-F246 WeakPolarHBondContact O-CB 3.34Å; T242-F246 PolarHBondContact O-N 3.04Å; K243-F246 PolarHBondContact O-N 2.69Å; Q244-F246 VanDerWaalsContact C-N 3.25Å; Q244-F246 PolarHBondContact O-N 3.38Å; F246-A249 PolarHBondContact O-N 3.45Å; F246-M250 HydrophobicContact CD1-CG 4.03Å; F246-M250 HydrophobicContact CE1-CG 3.64Å; F246-M250 HydrophobicContact CE1-SD 4.19Å; F246-M250 HydrophobicContact CZ-CG 3.96Å; F246-M250 HydrophobicContact CZ-SD 3.95Å; F246-M250 VanDerWaalsContact O-CG 3.3Å; F246-M250 WeakPolarHBondContact O-CG 3.13Å; F246-M250 PolarHBondContact O-N 2.93Å
247E93.3Very high90.9Very high28 Ų2877.1 Ų77.113%0.13138%0.378CS..Hα-helixtrans-56.3-51.1172.9-179.4-176173.400111.6A147 K243 Q244 A249 M250 R251A147-E247 HydrophobicContact CB-CG 4.22Å; K243-E247 PolarHBondContact O-N 3.46Å; Q244-E247 WeakPolarHBondContact O-CB 3.44Å; Q244-E247 PolarHBondContact O-N 2.89Å; E247-A249 PolarHBondContact O-N 2.94Å; E247-M250 PolarHBondContact O-N 3.27Å; E247-R251 PolarHBondContact O-N 2.94Å; E247-R251 IonicContact OE1-CZ 3.83Å; E247-R251 IonicContact OE1-NH2 3.83Å; E247-R251 PolarHBondContact OE1-NH2 3.24Å
248Y94.3Very high92Very high134 Ų13475.3 Ų75.353%0.52537%0.366SS..Hα-helixtrans-63.3-39.9177.6-69.9-63000112.5Q244 I245 M250 R251 I252Q244-Y248 HydrophobicContact CB-CE2 4.48Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.35Å; Q244-Y248 PolarHBondContact O-N 3.24Å; I245-Y248 PolarHBondContact O-N 3.42Å; Y248-M250 VanDerWaalsContact C-N 3.34Å; Y248-M250 PolarHBondContact O-N 3.28Å; Y248-R251 PolarHBondContact O-N 2.85Å; Y248-I252 VanDerWaalsContact O-CG1 3.29Å; Y248-I252 WeakPolarHBondContact O-CG1 3.48Å; Y248-I252 PolarHBondContact O-N 3Å
249A94.3Very high93Very high45 Ų4572.7 Ų72.737%0.37235%0.347SS..Hα-helixtrans-61.1-43.3176.600000111.7I245 F246 E247 I252 V253I245-A249 WeakPolarHBondContact O-CB 3.41Å; I245-A249 PolarHBondContact O-N 2.91Å; F246-A249 PolarHBondContact O-N 3.45Å; E247-A249 PolarHBondContact O-N 2.94Å; A249-I252 PolarHBondContact O-N 3.17Å; A249-V253 WeakPolarHBondContact O-CG2 3.42Å; A249-V253 PolarHBondContact O-N 3.48Å
250M93.7Very high93.4Very high22 Ų2271.6 Ų71.611%0.10835%0.345CS..Hα-helixtrans-64-40.3176.3-69.9-62-66.900112L143 A147 L150 F246 E247 Y248 V253 G254L143-M250 HydrophobicContact CD1-CE 4.4Å; L143-M250 HydrophobicContact CD2-CE 3.56Å; L143-M250 HydrophobicContact CG-CE 4.44Å; A147-M250 HydrophobicContact CB-CB 4.05Å; L150-M250 HydrophobicContact CD2-CE 4.07Å; F246-M250 HydrophobicContact CD1-CG 4.03Å; F246-M250 HydrophobicContact CE1-CG 3.64Å; F246-M250 HydrophobicContact CE1-SD 4.19Å; F246-M250 HydrophobicContact CZ-CG 3.96Å; F246-M250 HydrophobicContact CZ-SD 3.95Å; F246-M250 VanDerWaalsContact O-CG 3.3Å; F246-M250 WeakPolarHBondContact O-CG 3.13Å; F246-M250 PolarHBondContact O-N 2.93Å; E247-M250 PolarHBondContact O-N 3.27Å; Y248-M250 VanDerWaalsContact C-N 3.34Å; Y248-M250 PolarHBondContact O-N 3.28Å; M250-V253 PolarHBondContact O-N 3.22Å; M250-G254 PolarHBondContact O-N 3.47Å
251R95.7Very high93.5Very high47 Ų4766.7 Ų66.718%0.17733%0.325CS..Hα-helixtrans-61.2-45.1172.8-72.3-172.1-178.5166.416.8112.1Y144 A147 E247 Y248 G254 A255 E279Y144-R251 HydrophobicContact CD2-CB 3.87Å; Y144-R251 HydrophobicContact CD2-CG 4.14Å; Y144-R251 WeakPolarHBondContact CD2-O 3.29Å; Y144-R251 HydrophobicContact CE2-CB 3.81Å; Y144-R251 HydrophobicContact CE2-CG 4.15Å; Y144-R251 HydrophobicContact CG-CG 4.38Å; A147-R251 HydrophobicContact CB-CG 3.69Å; E247-R251 PolarHBondContact O-N 2.94Å; E247-R251 IonicContact OE1-CZ 3.83Å; E247-R251 IonicContact OE1-NH2 3.83Å; E247-R251 PolarHBondContact OE1-NH2 3.24Å; Y248-R251 PolarHBondContact O-N 2.85Å; R251-G254 PolarHBondContact O-N 2.86Å; R251-A255 WeakPolarHBondContact O-CB 3.09Å; R251-A255 PolarHBondContact O-N 2.9Å; R251-E279 IonicContact CZ-OE1 3.64Å; R251-E279 IonicContact CZ-OE2 3.47Å; R251-E279 IonicContact NE-OE1 3.95Å; R251-E279 IonicContact NH1-OE1 3.56Å; R251-E279 IonicContact NH1-OE2 2.67Å; R251-E279 PolarHBondContact NH1-OE2 3.03Å
252I96.2Very high93.5Very high105 Ų10558.8 Ų58.854%0.53830%0.297SS..Hα-helixtrans-62.4-45.8178.3-69.2165.8000110.7Y248 A249 G254 A255 I256Y248-I252 VanDerWaalsContact O-CG1 3.29Å; Y248-I252 WeakPolarHBondContact O-CG1 3.48Å; Y248-I252 PolarHBondContact O-N 3Å; A249-I252 PolarHBondContact O-N 3.17Å; I252-G254 PolarHBondContact O-N 2.95Å; I252-A255 PolarHBondContact O-N 3.24Å; I252-I256 HydrophobicContact CG2-CD1 3.8Å; I252-I256 HydrophobicContact CG2-CG1 4.46Å; I252-I256 VanDerWaalsContact O-CG1 3.28Å; I252-I256 WeakPolarHBondContact O-CG1 3.19Å; I252-I256 PolarHBondContact O-N 3.39Å
253V95.4Very high93.5Very high73 Ų7358.3 Ų58.344%0.44229%0.291SS..Hα-helixtrans-62-44.3177172.10000111.1A249 M250 A255 I256 L257A249-V253 WeakPolarHBondContact O-CG2 3.42Å; A249-V253 PolarHBondContact O-N 3.48Å; M250-V253 PolarHBondContact O-N 3.22Å; V253-A255 PolarHBondContact O-N 3.32Å; V253-I256 PolarHBondContact O-N 3.23Å; V253-L257 HydrophobicContact CG1-CD1 4.21Å; V253-L257 WeakPolarHBondContact O-CG 3.3Å; V253-L257 PolarHBondContact O-N 2.92Å
254G96.4Very high93.5Very high0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-59-44.6175.100000112.5G140 M250 R251 I252 L257 V258G140-G254 VanDerWaalsContact O-CA 3.31Å; G140-G254 WeakPolarHBondContact O-CA 3.24Å; M250-G254 PolarHBondContact O-N 3.47Å; R251-G254 PolarHBondContact O-N 2.86Å; I252-G254 PolarHBondContact O-N 2.95Å; G254-L257 PolarHBondContact O-N 3.38Å; G254-V258 WeakPolarHBondContact O-CG2 2.89Å; G254-V258 PolarHBondContact O-N 2.84Å
255A96.6Very high93.5Very high22 Ų2258.1 Ų58.118%0.18229%0.285CS..Hα-helixtrans-63.8-42.5177.400000112.6Y144 R251 I252 V253 L257 V258 Y259 L272Y144-A255 HydrophobicContact CD2-CB 4.48Å; R251-A255 WeakPolarHBondContact O-CB 3.09Å; R251-A255 PolarHBondContact O-N 2.9Å; I252-A255 PolarHBondContact O-N 3.24Å; V253-A255 PolarHBondContact O-N 3.32Å; A255-L257 VanDerWaalsContact C-N 3.33Å; A255-L257 PolarHBondContact O-N 3.11Å; A255-V258 PolarHBondContact O-N 3.1Å; A255-Y259 WeakPolarHBondContact O-CB 3.34Å; A255-Y259 PolarHBondContact O-N 2.88Å; A255-L272 HydrophobicContact CB-CD1 4.31Å; A255-L272 HydrophobicContact CB-CD2 3.8Å
256I96.4Very high93.4Very high88 Ų8858.4 Ų58.445%0.45128%0.284SS..Hα-helixtrans-61.3-43.4175.3-69.2166.8000110.4I252 V253 Y259 L260I252-I256 HydrophobicContact CG2-CD1 3.8Å; I252-I256 HydrophobicContact CG2-CG1 4.46Å; I252-I256 VanDerWaalsContact O-CG1 3.28Å; I252-I256 WeakPolarHBondContact O-CG1 3.19Å; I252-I256 PolarHBondContact O-N 3.39Å; V253-I256 PolarHBondContact O-N 3.23Å; I256-Y259 PolarHBondContact O-N 3.24Å; I256-L260 HydrophobicContact CG2-CD1 3.65Å; I256-L260 HydrophobicContact CG2-CG 4.13Å; I256-L260 WeakPolarHBondContact O-CB 3.24Å; I256-L260 VanDerWaalsContact O-CG 3.28Å; I256-L260 WeakPolarHBondContact O-CG 3.49Å; I256-L260 PolarHBondContact O-N 3.21Å
257L95.6Very high93.5Very high46 Ų4658.1 Ų58.124%0.24128%0.284CS..Hα-helixtrans-61.7-45.3177.5-74.8169.8000112.1F139 L143 V253 G254 A255 Y259 L260 N261F139-L257 HydrophobicContact CD1-CD1 4.05Å; F139-L257 HydrophobicContact CE1-CD1 4.22Å; L143-L257 HydrophobicContact CD1-CD1 4.05Å; V253-L257 HydrophobicContact CG1-CD1 4.21Å; V253-L257 WeakPolarHBondContact O-CG 3.3Å; V253-L257 PolarHBondContact O-N 2.92Å; G254-L257 PolarHBondContact O-N 3.38Å; A255-L257 VanDerWaalsContact C-N 3.33Å; A255-L257 PolarHBondContact O-N 3.11Å; L257-Y259 VanDerWaalsContact C-N 3.31Å; L257-Y259 PolarHBondContact O-N 3.26Å; L257-L260 PolarHBondContact O-N 2.96Å; L257-N261 WeakPolarHBondContact O-CB 3.22Å; L257-N261 PolarHBondContact O-N 3.29Å; L257-N261 VanDerWaalsContact O-N 3.12Å; L257-N261 PolarHBondContact O-ND2 3.42Å
258V95.7Very high93.4Very high8 Ų856.9 Ų56.95%0.04828%0.278CS..Hα-helixtrans-60.7-42176.1170.90000111.1T137 L141 G254 A255 C262 L272T137-V258 HydrophobicContact CG2-CG1 4.23Å; T137-V258 HydrophobicContact CG2-CG2 4.29Å; L141-V258 HydrophobicContact CB-CG2 4.46Å; G254-V258 WeakPolarHBondContact O-CG2 2.89Å; G254-V258 PolarHBondContact O-N 2.84Å; A255-V258 PolarHBondContact O-N 3.1Å; V258-C262 WeakPolarHBondContact O-CB 3.34Å; V258-C262 PolarHBondContact O-N 2.92Å; V258-L272 HydrophobicContact CB-CD2 4.44Å; V258-L272 HydrophobicContact CG1-CD2 4.36Å; V258-L272 HydrophobicContact CG1-CG 4.4Å
259Y94.7Very high93.5Very high88 Ų8854.3 Ų54.335%0.34527%0.272SS..Hα-helixtrans-66.6-43.7179.5177.1-99.2000112.9A255 I256 L257 R265 I269A255-Y259 WeakPolarHBondContact O-CB 3.34Å; A255-Y259 PolarHBondContact O-N 2.88Å; I256-Y259 PolarHBondContact O-N 3.24Å; L257-Y259 VanDerWaalsContact C-N 3.31Å; L257-Y259 PolarHBondContact O-N 3.26Å; Y259-R265 HydrophobicContact CD2-CG 4.44Å; Y259-R265 HydrophobicContact CE2-CG 3.57Å; Y259-R265 VanDerWaalsContact OH-CD 3.28Å; Y259-R265 WeakPolarHBondContact OH-CD 3.28Å; Y259-R265 PolarHBondContact OH-NE 3.03Å; Y259-I269 HydrophobicContact CD2-CG1 4.38Å; Y259-I269 HydrophobicContact CE2-CD1 4.37Å; Y259-I269 HydrophobicContact CE2-CG1 4.29Å
260L91.6Very high93.5Very high118 Ų11855.4 Ų55.462%0.61828%0.278SS*.Hα-helixtrans-74.1-26.7-176.6-68.4177.8000113.5I256 L257I256-L260 HydrophobicContact CG2-CD1 3.65Å; I256-L260 HydrophobicContact CG2-CG 4.13Å; I256-L260 WeakPolarHBondContact O-CB 3.24Å; I256-L260 VanDerWaalsContact O-CG 3.28Å; I256-L260 WeakPolarHBondContact O-CG 3.49Å; I256-L260 PolarHBondContact O-N 3.21Å; L257-L260 PolarHBondContact O-N 2.96Å
261N91.3Very high93.5Very high23 Ų2357.1 Ų57.112%0.12329%0.289CS..THydrogen-bonded Turntrans-103.35.9-173.8-66.5-86.2000114.1M133 S136 T137 L257M133-N261 WeakPolarHBondContact CE-O 3.27Å; S136-N261 WeakPolarHBondContact OG-CB 3.37Å; S136-N261 PolarHBondContact OG-ND2 3.03Å; S136-N261 PolarHBondContact OG-OD1 2.99Å; T137-N261 PolarHBondContact OG1-O 2.83Å; L257-N261 WeakPolarHBondContact O-CB 3.22Å; L257-N261 PolarHBondContact O-N 3.29Å; L257-N261 VanDerWaalsContact O-N 3.12Å; L257-N261 PolarHBondContact O-ND2 3.42Å
262C89.9Confident93.4Very high11 Ų1156.3 Ų56.37%0.07429%0.288CS..  trans-107123.5173.4-169.10000110.2V258 I264V258-C262 WeakPolarHBondContact O-CB 3.34Å; V258-C262 PolarHBondContact O-N 2.92Å; C262-I264 PolarHBondContact SG-O 3.07Å
263Q87.9Confident93.4Very high44 Ų4455.2 Ų55.221%0.20629%0.286CS..SBendtrans-70.4-34.2-179.7-67.1-76.4-7.200111.9A50 K52 P106 F107 M133 R265A50-Q263 VanDerWaalsContact O-CB 3.27Å; A50-Q263 WeakPolarHBondContact O-CB 3.34Å; A50-Q263 PolarHBondContact O-N 3.37Å; K52-Q263 WeakPolarHBondContact O-CG 3.39Å; P106-Q263 HydrophobicContact CG-CB 4.37Å; F107-Q263 HydrophobicContact CD2-CB 4.47Å; F107-Q263 HydrophobicContact CE2-CB 3.85Å; M133-Q263 HydrophobicContact CE-CG 3.72Å; Q263-R265 PolarHBondContact O-N 3.29Å
264I89.9Confident93.3Very high13 Ų1353.5 Ų53.57%0.06728%0.284CS..  trans-86.592.6174.4-55.1175.7000108.5S46 A50 F107 C262 E266 L267 S268S46-I264 VanDerWaalsContact O-CD1 3.29Å; S46-I264 WeakPolarHBondContact O-CD1 3.43Å; A50-I264 HydrophobicContact CB-CD1 4.05Å; A50-I264 HydrophobicContact CB-CG1 4.29Å; F107-I264 HydrophobicContact CD2-CG1 3.75Å; F107-I264 HydrophobicContact CE1-CD1 4.27Å; F107-I264 HydrophobicContact CE1-CG1 4.35Å; F107-I264 HydrophobicContact CE2-CB 4.45Å; F107-I264 HydrophobicContact CE2-CD1 3.92Å; F107-I264 HydrophobicContact CE2-CG1 3.19Å; F107-I264 HydrophobicContact CZ-CD1 3.69Å; F107-I264 HydrophobicContact CZ-CG1 3.53Å; C262-I264 PolarHBondContact SG-O 3.07Å; I264-E266 HydrophobicContact CG2-CB 4.17Å; I264-E266 PolarHBondContact O-N 3.35Å; I264-L267 HydrophobicContact CB-CB 3.87Å; I264-L267 HydrophobicContact CG2-CB 3.72Å; I264-L267 WeakPolarHBondContact O-CB 2.96Å; I264-L267 PolarHBondContact O-N 3.42Å; I264-S268 PolarHBondContact O-N 3.13Å; I264-S268 VanDerWaalsContact O-N 3.15Å
265R90.7Very high93.1Very high151 Ų15154.3 Ų54.357%0.5729%0.288SS*.Hα-helixtrans-55.5-35.4178.4-171.7173.2-66.1159.44113.6Y259 Q263 L267 S268 I269Y259-R265 HydrophobicContact CD2-CG 4.44Å; Y259-R265 HydrophobicContact CE2-CG 3.57Å; Y259-R265 VanDerWaalsContact OH-CD 3.28Å; Y259-R265 WeakPolarHBondContact OH-CD 3.28Å; Y259-R265 PolarHBondContact OH-NE 3.03Å; Q263-R265 PolarHBondContact O-N 3.29Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.38Å; R265-S268 PolarHBondContact O-OG 3.38Å; R265-S268 VanDerWaalsContact O-OG 3.05Å; R265-I269 HydrophobicContact CG-CD1 3.9Å; R265-I269 HydrophobicContact CG-CG1 4.49Å; R265-I269 VanDerWaalsContact O-CG1 3.26Å; R265-I269 WeakPolarHBondContact O-CG1 3.29Å; R265-I269 PolarHBondContact O-N 3.25Å; R265-I269 VanDerWaalsContact O-N 3.1Å
266E91.8Very high92.8Very high124 Ų12457.1 Ų57.158%0.57930%0.303SS*.Hα-helixtrans-62.4-40176.5-67159.3-16200111.4K45 I264 S270K45-E266 IonicContact NZ-OE1 2.72Å; K45-E266 PolarHBondContact NZ-OE1 3.1Å; K45-E266 IonicContact NZ-OE2 2.79Å; K45-E266 PolarHBondContact NZ-OE2 2.83Å; I264-E266 HydrophobicContact CG2-CB 4.17Å; I264-E266 PolarHBondContact O-N 3.35Å; E266-S270 WeakPolarHBondContact O-CB 3.27Å; E266-S270 PolarHBondContact O-N 3.01Å; E266-S270 PolarHBondContact O-OG 3.28Å
267L91.5Very high92.6Very high31 Ų3156.7 Ų56.716%0.16230%0.304CS..Hα-helixtrans-69.4-48.3179.8-174153.5000110.4I47 A50 I264 R265 I269 S270 V271I47-L267 HydrophobicContact CB-CD1 4.25Å; I47-L267 HydrophobicContact CG1-CD1 3.92Å; I47-L267 HydrophobicContact CG2-CD1 4.01Å; A50-L267 HydrophobicContact CB-CD1 4.26Å; I264-L267 HydrophobicContact CB-CB 3.87Å; I264-L267 HydrophobicContact CG2-CB 3.72Å; I264-L267 WeakPolarHBondContact O-CB 2.96Å; I264-L267 PolarHBondContact O-N 3.42Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.38Å; L267-I269 VanDerWaalsContact C-N 3.33Å; L267-I269 PolarHBondContact O-N 2.82Å; L267-S270 WeakPolarHBondContact CA-OG 3.27Å; L267-S270 PolarHBondContact O-N 2.87Å; L267-S270 VanDerWaalsContact O-N 3.11Å; L267-S270 PolarHBondContact O-OG 2.86Å; L267-V271 HydrophobicContact CD2-CG2 3.91Å; L267-V271 WeakPolarHBondContact O-CG2 2.77Å; L267-V271 PolarHBondContact O-N 3.44Å
268S93Very high92.1Very high1 Ų156.6 Ų56.61%0.00731%0.309CS..Hα-helixtrans-61-42179.658.70000112.2I264 R265 V271 L272I264-S268 PolarHBondContact O-N 3.13Å; I264-S268 VanDerWaalsContact O-N 3.15Å; R265-S268 PolarHBondContact O-OG 3.38Å; R265-S268 VanDerWaalsContact O-OG 3.05Å; S268-V271 PolarHBondContact O-N 3.43Å; S268-L272 WeakPolarHBondContact O-CB 3.37Å; S268-L272 VanDerWaalsContact O-CG 3.26Å; S268-L272 WeakPolarHBondContact O-CG 3.19Å; S268-L272 PolarHBondContact O-N 3.19Å
269I94.9Very high91.6Very high80 Ų8060.7 Ų60.741%0.4133%0.328SS..Hα-helixtrans-62.6-44.8173.7-65.7169000110.6Y259 R265 L267 V271 L272 V273Y259-I269 HydrophobicContact CD2-CG1 4.38Å; Y259-I269 HydrophobicContact CE2-CD1 4.37Å; Y259-I269 HydrophobicContact CE2-CG1 4.29Å; R265-I269 HydrophobicContact CG-CD1 3.9Å; R265-I269 HydrophobicContact CG-CG1 4.49Å; R265-I269 VanDerWaalsContact O-CG1 3.26Å; R265-I269 WeakPolarHBondContact O-CG1 3.29Å; R265-I269 PolarHBondContact O-N 3.25Å; R265-I269 VanDerWaalsContact O-N 3.1Å; L267-I269 VanDerWaalsContact C-N 3.33Å; L267-I269 PolarHBondContact O-N 2.82Å; I269-V271 VanDerWaalsContact C-N 3.33Å; I269-V271 PolarHBondContact O-N 3.44Å; I269-L272 PolarHBondContact O-N 3.03Å; I269-V273 HydrophobicContact CG2-CG2 4.07Å; I269-V273 WeakPolarHBondContact O-CB 3.28Å; I269-V273 VanDerWaalsContact O-CG2 3.29Å; I269-V273 WeakPolarHBondContact O-CG2 3.41Å; I269-V273 PolarHBondContact O-N 3.08Å
270S94.5Very high91.1Very high69 Ų6965.3 Ų65.348%0.48335%0.35SS..Hα-helixtrans-61.6-39.9179.674.30000112.8E266 L267 G274E266-S270 WeakPolarHBondContact O-CB 3.27Å; E266-S270 PolarHBondContact O-N 3.01Å; E266-S270 PolarHBondContact O-OG 3.28Å; L267-S270 WeakPolarHBondContact CA-OG 3.27Å; L267-S270 PolarHBondContact O-N 2.87Å; L267-S270 VanDerWaalsContact O-N 3.11Å; L267-S270 PolarHBondContact O-OG 2.86Å; S270-G274 PolarHBondContact O-N 2.88Å
271V93.5Very high90.6Very high57 Ų5762.8 Ų62.835%0.34534%0.34SS..Hα-helixtrans-66.4-46.7176.7170.90000110.1L267 S268 I269 G274 I275L267-V271 HydrophobicContact CD2-CG2 3.91Å; L267-V271 WeakPolarHBondContact O-CG2 2.77Å; L267-V271 PolarHBondContact O-N 3.44Å; S268-V271 PolarHBondContact O-N 3.43Å; I269-V271 VanDerWaalsContact C-N 3.33Å; I269-V271 PolarHBondContact O-N 3.44Å; V271-G274 PolarHBondContact O-N 3.47Å; V271-I275 HydrophobicContact CG1-CD1 3.89Å; V271-I275 VanDerWaalsContact O-CG1 3.23Å; V271-I275 WeakPolarHBondContact O-CG1 3.34Å; V271-I275 PolarHBondContact O-N 3.36Å
272L94.7Very high90Very high31 Ų3166.4 Ų66.416%0.16237%0.365CS..Hα-helixtrans-63.4-45.6179-69.2172.7000112A255 V258 S268 I269 G274 I275 V276A255-L272 HydrophobicContact CB-CD1 4.31Å; A255-L272 HydrophobicContact CB-CD2 3.8Å; V258-L272 HydrophobicContact CB-CD2 4.44Å; V258-L272 HydrophobicContact CG1-CD2 4.36Å; V258-L272 HydrophobicContact CG1-CG 4.4Å; S268-L272 WeakPolarHBondContact O-CB 3.37Å; S268-L272 VanDerWaalsContact O-CG 3.26Å; S268-L272 WeakPolarHBondContact O-CG 3.19Å; S268-L272 PolarHBondContact O-N 3.19Å; I269-L272 PolarHBondContact O-N 3.03Å; L272-G274 VanDerWaalsContact C-N 3.34Å; L272-I275 PolarHBondContact O-N 3.1Å; L272-V276 WeakPolarHBondContact O-CG2 3.13Å; L272-V276 PolarHBondContact O-N 3.24Å
273V94.8Very high89Confident81 Ų8170.1 Ų70.149%0.49138%0.383SS..Hα-helixtrans-62.5-43.4175.3171.90000110.5I269 I275 V276 V277I269-V273 HydrophobicContact CG2-CG2 4.07Å; I269-V273 WeakPolarHBondContact O-CB 3.28Å; I269-V273 VanDerWaalsContact O-CG2 3.29Å; I269-V273 WeakPolarHBondContact O-CG2 3.41Å; I269-V273 PolarHBondContact O-N 3.08Å; V273-I275 VanDerWaalsContact C-N 3.29Å; V273-I275 PolarHBondContact O-N 3.21Å; V273-V276 PolarHBondContact O-N 3.01Å; V273-V277 HydrophobicContact CG1-CG2 4.17Å; V273-V277 WeakPolarHBondContact O-CB 3.47Å; V273-V277 VanDerWaalsContact O-CG2 3.28Å; V273-V277 WeakPolarHBondContact O-CG2 2.92Å; V273-V277 PolarHBondContact O-N 3.26Å
274G93.6Very high88.3Confident38 Ų3873.9 Ų73.939%0.39240%0.404SS..Hα-helixtrans-58.4-40.2176.200000112.7S270 V271 L272 A278S270-G274 PolarHBondContact O-N 2.88Å; V271-G274 PolarHBondContact O-N 3.47Å; L272-G274 VanDerWaalsContact C-N 3.34Å; G274-A278 VanDerWaalsContact O-CB 3.29Å; G274-A278 WeakPolarHBondContact O-CB 3.27Å; G274-A278 PolarHBondContact O-N 2.86Å
275I92.3Very high87.4Confident16 Ų1675.1 Ų75.18%0.08242%0.42CS..Hα-helixtrans-65.9-46.7175.2-66.2162.6000111L141 Y144 F145 V271 L272 V273 V277 A278 E279L141-I275 HydrophobicContact CD1-CD1 3.59Å; Y144-I275 HydrophobicContact CD1-CG2 3.9Å; Y144-I275 HydrophobicContact CE1-CG2 3.23Å; F145-I275 HydrophobicContact CE1-CG1 4.46Å; F145-I275 HydrophobicContact CE1-CG2 4.06Å; F145-I275 HydrophobicContact CZ-CD1 4.01Å; F145-I275 HydrophobicContact CZ-CG1 4Å; F145-I275 HydrophobicContact CZ-CG2 4.4Å; V271-I275 HydrophobicContact CG1-CD1 3.89Å; V271-I275 VanDerWaalsContact O-CG1 3.23Å; V271-I275 WeakPolarHBondContact O-CG1 3.34Å; V271-I275 PolarHBondContact O-N 3.36Å; L272-I275 PolarHBondContact O-N 3.1Å; V273-I275 VanDerWaalsContact C-N 3.29Å; V273-I275 PolarHBondContact O-N 3.21Å; I275-V277 VanDerWaalsContact C-N 3.32Å; I275-V277 PolarHBondContact O-N 2.91Å; I275-A278 PolarHBondContact O-N 3.03Å; I275-E279 PolarHBondContact O-N 2.96Å
276V91.2Very high86.6Confident82 Ų8273.5 Ų73.550%0.49742%0.418SS..Hα-helixtrans-62-41.1178.1175.40000111.6L272 V273 E279 F280L272-V276 WeakPolarHBondContact O-CG2 3.13Å; L272-V276 PolarHBondContact O-N 3.24Å; V273-V276 PolarHBondContact O-N 3.01Å; V276-E279 PolarHBondContact O-N 2.93Å; V276-F280 PolarHBondContact O-N 2.77Å
277V90.7Very high85.7Confident78 Ų7871.7 Ų71.747%0.47341%0.412SS..Hα-helixtrans-65.3-41176.1172.30000110.8V273 I275 E279 F280 T281V273-V277 HydrophobicContact CG1-CG2 4.17Å; V273-V277 WeakPolarHBondContact O-CB 3.47Å; V273-V277 VanDerWaalsContact O-CG2 3.28Å; V273-V277 WeakPolarHBondContact O-CG2 2.92Å; V273-V277 PolarHBondContact O-N 3.26Å; I275-V277 VanDerWaalsContact C-N 3.32Å; I275-V277 PolarHBondContact O-N 2.91Å; V277-E279 VanDerWaalsContact C-N 3.34Å; V277-E279 PolarHBondContact O-N 3.37Å; V277-F280 PolarHBondContact O-N 3.43Å; V277-T281 HydrophobicContact CG1-CG2 4.18Å; V277-T281 WeakPolarHBondContact O-CB 3.09Å; V277-T281 VanDerWaalsContact O-CG2 3.31Å; V277-T281 WeakPolarHBondContact O-CG2 3.2Å; V277-T281 PolarHBondContact O-N 3.23Å; V277-T281 PolarHBondContact O-OG1 3.42Å
278A87.2Confident84.9Confident44 Ų4475.6 Ų75.636%0.36443%0.433SS..Hα-helixtrans-64.3-36.1175.700000112.6G274 I275 T281G274-A278 VanDerWaalsContact O-CB 3.29Å; G274-A278 WeakPolarHBondContact O-CB 3.27Å; G274-A278 PolarHBondContact O-N 2.86Å; I275-A278 PolarHBondContact O-N 3.03Å; A278-T281 WeakPolarHBondContact CA-OG1 3.23Å; A278-T281 PolarHBondContact O-OG1 3.28Å
279E84.8Confident84.1Confident95 Ų9581.8 Ų81.844%0.44446%0.456SS..Hα-helixtrans-69.5-34.6174.8-73.1-169.2172.100112.5Y144 R251 I275 V276 V277Y144-E279 WeakPolarHBondContact CE1-OE1 3.12Å; R251-E279 IonicContact CZ-OE1 3.64Å; R251-E279 IonicContact CZ-OE2 3.47Å; R251-E279 IonicContact NE-OE1 3.95Å; R251-E279 IonicContact NH1-OE1 3.56Å; R251-E279 IonicContact NH1-OE2 2.67Å; R251-E279 PolarHBondContact NH1-OE2 3.03Å; I275-E279 PolarHBondContact O-N 2.96Å; V276-E279 PolarHBondContact O-N 2.93Å; V277-E279 VanDerWaalsContact C-N 3.34Å; V277-E279 PolarHBondContact O-N 3.37Å
280F83.8Confident83.2Confident184 Ų18483.5 Ų83.581%0.80746%0.457SS*.Hα-helixtrans-82.8-22.8-179.1-169.4-101.1000113.3V276 V277V276-F280 PolarHBondContact O-N 2.77Å; V277-F280 PolarHBondContact O-N 3.43Å
281T81.8Confident82.2Confident66 Ų6684.7 Ų84.741%0.40546%0.458SS..SBendtrans-87.6129.5-18048.30000110.8V277 A278 I283V277-T281 HydrophobicContact CG1-CG2 4.18Å; V277-T281 WeakPolarHBondContact O-CB 3.09Å; V277-T281 VanDerWaalsContact O-CG2 3.31Å; V277-T281 WeakPolarHBondContact O-CG2 3.2Å; V277-T281 PolarHBondContact O-N 3.23Å; V277-T281 PolarHBondContact O-OG1 3.42Å; A278-T281 WeakPolarHBondContact CA-OG1 3.23Å; A278-T281 PolarHBondContact O-OG1 3.28Å; T281-I283 VanDerWaalsContact C-N 3.33Å; T281-I283 PolarHBondContact O-N 2.86Å
282P77.6Confident81.3Confident99 Ų9992.2 Ų92.264%0.64348%0.48SS*.  trans-72.490.6175.229.2-32.8000109.1D284 G285 F286P282-D284 PolarHBondContact O-N 3.47Å; P282-G285 WeakPolarHBondContact O-CA 3.48Å; P282-G285 PolarHBondContact O-N 3.45Å; P282-F286 PolarHBondContact O-N 3.49Å; P282-F286 VanDerWaalsContact O-N 3.16Å
283I70Confident80.6Confident89 Ų8995.1 Ų95.146%0.45650%0.496SS..Hα-helixtrans-55.8-35.9-178.9-60.8170.1000110.7T281 G285 F286 L287T281-I283 VanDerWaalsContact C-N 3.33Å; T281-I283 PolarHBondContact O-N 2.86Å; I283-G285 VanDerWaalsContact C-N 3.26Å; I283-G285 PolarHBondContact O-N 2.75Å; I283-F286 CarbonylContact O-C 3.6Å; I283-F286 WeakPolarHBondContact O-CB 3.16Å; I283-F286 PolarHBondContact O-N 2.87Å; I283-L287 HydrophobicContact CG2-CD1 3.83Å; I283-L287 HydrophobicContact CG2-CG 4.26Å; I283-L287 PolarHBondContact O-N 3.16Å
284D71.8Confident79.6Confident122 Ų12297.9 Ų97.965%0.65250%0.498SS*.Hα-helixtrans-59.5-38175.3-56.7-25.2000112P282 N288P282-D284 PolarHBondContact O-N 3.47Å; D284-N288 VanDerWaalsContact O-CB 3.31Å; D284-N288 WeakPolarHBondContact O-CB 3.21Å; D284-N288 PolarHBondContact O-N 2.6Å; D284-N288 PolarHBondContact O-ND2 3.27Å
285G72.3Confident78.5Confident39 Ų39100.3 Ų100.340%0.40251%0.507SS..Hα-helixtrans-69-36.6174.800000112.3P282 I283 W289P282-G285 WeakPolarHBondContact O-CA 3.48Å; P282-G285 PolarHBondContact O-N 3.45Å; I283-G285 VanDerWaalsContact C-N 3.26Å; I283-G285 PolarHBondContact O-N 2.75Å; G285-W289 VanDerWaalsContact O-CB 3.23Å; G285-W289 WeakPolarHBondContact O-CB 3.44Å; G285-W289 PolarHBondContact O-N 3.23Å
286F73.5Confident77.5Confident117 Ų117104.7 Ų104.751%0.51354%0.537SS..Hα-helixtrans-70.2-41.8175.6-177.7-97.3000112.2P282 I283 W289 W290P282-F286 PolarHBondContact O-N 3.49Å; P282-F286 VanDerWaalsContact O-N 3.16Å; I283-F286 CarbonylContact O-C 3.6Å; I283-F286 WeakPolarHBondContact O-CB 3.16Å; I283-F286 PolarHBondContact O-N 2.87Å; F286-W289 AromaticContact CD2-CE3 3.97Å; F286-W289 HydrophobicContact CD2-CE3 3.97Å; F286-W289 HydrophobicContact CD2-CZ3 4.3Å; F286-W289 AromaticContact CE2-CE3 3.79Å; F286-W289 HydrophobicContact CE2-CE3 3.79Å; F286-W289 AromaticContact CE2-CZ3 3.67Å; F286-W289 HydrophobicContact CE2-CZ3 3.67Å; F286-W289 HydrophobicContact CZ-CE3 4.46Å; F286-W289 HydrophobicContact CZ-CZ3 4.22Å; F286-W289 PolarHBondContact O-N 3.13Å; F286-W290 HydrophobicContact CE1-CE3 4.46Å; F286-W290 HydrophobicContact CZ-CE3 4.13Å; F286-W290 WeakPolarHBondContact O-CB 3.42Å; F286-W290 PolarHBondContact O-N 3.5Å
287L72.9Confident76.6Confident87 Ų87112.7 Ų112.746%0.45556%0.558SS.*Hα-helixtrans-61.4-49.4174-77.9160.9000110.7I283 W289 W290 D291I283-L287 HydrophobicContact CG2-CD1 3.83Å; I283-L287 HydrophobicContact CG2-CG 4.26Å; I283-L287 PolarHBondContact O-N 3.16Å; L287-W289 VanDerWaalsContact C-N 3.28Å; L287-W289 PolarHBondContact O-N 2.99Å; L287-W290 WeakPolarHBondContact O-CB 3.45Å; L287-W290 PolarHBondContact O-N 3.01Å; L287-W290 VanDerWaalsContact O-N 3.08Å; L287-D291 PolarHBondContact O-N 3.21Å
288N74.1Confident75.7Confident112 Ų112114.9 Ų114.960%0.59957%0.571SS**Hα-helixtrans-61-37.1175.8-71.5-16.4000112.3D284 R292D284-N288 VanDerWaalsContact O-CB 3.31Å; D284-N288 WeakPolarHBondContact O-CB 3.21Å; D284-N288 PolarHBondContact O-N 2.6Å; D284-N288 PolarHBondContact O-ND2 3.27Å; N288-R292 VanDerWaalsContact O-CB 3.29Å; N288-R292 WeakPolarHBondContact O-CB 3.46Å; N288-R292 PolarHBondContact O-N 3.39Å
289W76Confident75.2Confident132 Ų132119.9 Ų119.950%0.559%0.585SS.*Hα-helixtrans-67.1-39.417417580000112.1G285 F286 L287 R292 L293G285-W289 VanDerWaalsContact O-CB 3.23Å; G285-W289 WeakPolarHBondContact O-CB 3.44Å; G285-W289 PolarHBondContact O-N 3.23Å; F286-W289 AromaticContact CD2-CE3 3.97Å; F286-W289 HydrophobicContact CD2-CE3 3.97Å; F286-W289 HydrophobicContact CD2-CZ3 4.3Å; F286-W289 AromaticContact CE2-CE3 3.79Å; F286-W289 HydrophobicContact CE2-CE3 3.79Å; F286-W289 AromaticContact CE2-CZ3 3.67Å; F286-W289 HydrophobicContact CE2-CZ3 3.67Å; F286-W289 HydrophobicContact CZ-CE3 4.46Å; F286-W289 HydrophobicContact CZ-CZ3 4.22Å; F286-W289 PolarHBondContact O-N 3.13Å; L287-W289 VanDerWaalsContact C-N 3.28Å; L287-W289 PolarHBondContact O-N 2.99Å; W289-R292 WeakPolarHBondContact O-CB 3.3Å; W289-R292 PolarHBondContact O-N 3.39Å; W289-L293 HydrophobicContact CH2-CD2 4.19Å; W289-L293 HydrophobicContact CZ2-CD1 4.15Å; W289-L293 HydrophobicContact CZ2-CD2 4.31Å; W289-L293 PolarHBondContact O-N 2.75Å
290W75.7Confident74.9Confident115 Ų115122.4 Ų122.444%0.43660%0.6SS.*Hα-helixtrans-67.7-45.1177.6-172-89.7000112.1F286 L287 R292 L293 Y294F286-W290 HydrophobicContact CE1-CE3 4.46Å; F286-W290 HydrophobicContact CZ-CE3 4.13Å; F286-W290 WeakPolarHBondContact O-CB 3.42Å; F286-W290 PolarHBondContact O-N 3.5Å; L287-W290 WeakPolarHBondContact O-CB 3.45Å; L287-W290 PolarHBondContact O-N 3.01Å; L287-W290 VanDerWaalsContact O-N 3.08Å; W290-R292 PolarHBondContact O-N 3.38Å; W290-L293 WeakPolarHBondContact O-CB 3.36Å; W290-L293 PolarHBondContact O-N 2.85Å; W290-Y294 HydrophobicContact CD2-CD2 4.09Å; W290-Y294 HydrophobicContact CD2-CE2 4.17Å; W290-Y294 AromaticContact CE2-CD2 3.64Å; W290-Y294 AromaticContact CE2-CE2 3.67Å; W290-Y294 HydrophobicContact CE3-CE2 4.42Å; W290-Y294 HydrophobicContact CG-CD2 4.41Å; W290-Y294 AromaticContact CH2-CE2 3.8Å; W290-Y294 HydrophobicContact CH2-CE2 3.8Å; W290-Y294 AromaticContact CZ2-CD2 3.92Å; W290-Y294 HydrophobicContact CZ2-CD2 3.92Å; W290-Y294 AromaticContact CZ2-CE2 3.48Å; W290-Y294 HydrophobicContact CZ2-CE2 3.48Å; W290-Y294 VanDerWaalsContact CZ2-CE2 3.48Å; W290-Y294 HydrophobicContact CZ3-CE2 4.26Å; W290-Y294 AromaticContact NE1-CD2 3.68Å; W290-Y294 PolarHBondContact O-N 2.91Å
291D73.7Confident74.6Confident95 Ų95117.5 Ų117.551%0.50858%0.582SS.*Hα-helixtrans-63.6-30.8174.5-71.1-18.3000111.5L287 Y294 P295L287-D291 PolarHBondContact O-N 3.21Å; D291-Y294 CarbonylContact O-C 3.49Å; D291-P295 WeakPolarHBondContact O-CA 3.01Å
292R75Confident74.7Confident214 Ų214117.9 Ų117.981%0.80858%0.584SS**Hα-helixtrans-71.3-33.3171.8-167.8178.6-163.2-179.25.5112.6N288 W289 W290N288-R292 VanDerWaalsContact O-CB 3.29Å; N288-R292 WeakPolarHBondContact O-CB 3.46Å; N288-R292 PolarHBondContact O-N 3.39Å; W289-R292 WeakPolarHBondContact O-CB 3.3Å; W289-R292 PolarHBondContact O-N 3.39Å; W290-R292 PolarHBondContact O-N 3.38Å
293L78.9Confident75.2Confident92 Ų92119.8 Ų119.848%0.48258%0.583SS.*Hα-helixtrans-75.9-35.4178.1-142.680.7000111.7W289 W290 P295W289-L293 HydrophobicContact CH2-CD2 4.19Å; W289-L293 HydrophobicContact CZ2-CD1 4.15Å; W289-L293 HydrophobicContact CZ2-CD2 4.31Å; W289-L293 PolarHBondContact O-N 2.75Å; W290-L293 WeakPolarHBondContact O-CB 3.36Å; W290-L293 PolarHBondContact O-N 2.85Å; L293-P295 VanDerWaalsContact C-CD 3.43Å; L293-P295 WeakPolarHBondContact O-CD 3.25Å
294Y74.4Confident75.9Confident140 Ų140122.9 Ų122.955%0.54960%0.595SS.*SBendtrans-117.771.9175.5-64.3-80.6000109.8W290 D291W290-Y294 HydrophobicContact CD2-CD2 4.09Å; W290-Y294 HydrophobicContact CD2-CE2 4.17Å; W290-Y294 AromaticContact CE2-CD2 3.64Å; W290-Y294 AromaticContact CE2-CE2 3.67Å; W290-Y294 HydrophobicContact CE3-CE2 4.42Å; W290-Y294 HydrophobicContact CG-CD2 4.41Å; W290-Y294 AromaticContact CH2-CE2 3.8Å; W290-Y294 HydrophobicContact CH2-CE2 3.8Å; W290-Y294 AromaticContact CZ2-CD2 3.92Å; W290-Y294 HydrophobicContact CZ2-CD2 3.92Å; W290-Y294 AromaticContact CZ2-CE2 3.48Å; W290-Y294 HydrophobicContact CZ2-CE2 3.48Å; W290-Y294 VanDerWaalsContact CZ2-CE2 3.48Å; W290-Y294 HydrophobicContact CZ3-CE2 4.26Å; W290-Y294 AromaticContact NE1-CD2 3.68Å; W290-Y294 PolarHBondContact O-N 2.91Å; D291-Y294 CarbonylContact O-C 3.49Å
295P71.5Confident76.7Confident88 Ų88120.5 Ų120.557%0.57158%0.58SS**  trans-55.2135.8175.823.4-32.1000108.8D291 L293 R297D291-P295 WeakPolarHBondContact O-CA 3.01Å; L293-P295 VanDerWaalsContact C-CD 3.43Å; L293-P295 WeakPolarHBondContact O-CD 3.25Å; P295-R297 PolarHBondContact O-N 2.82Å
296P71.3Confident77.4Confident109 Ų109125.2 Ų125.271%0.70859%0.59SS**  trans-53.5133.2174.220.5-29.8000108V298P296-V298 PolarHBondContact O-N 3.27Å
297R71.7Confident78.1Confident250 Ų250123.9 Ų123.994%0.94359%0.585SS**  trans-56.5108.1179.2-68.5-168-177.8-168.71.1107.7P295 K299P295-R297 PolarHBondContact O-N 2.82Å; R297-K299 PolarHBondContact O-N 3Å
298V71.4Confident78.9Confident124 Ų124125.7 Ų125.775%0.75259%0.593SS**  trans-63.8106.5174.6-177.70000105.6P296 L300P296-V298 PolarHBondContact O-N 3.27Å; V298-L300 PolarHBondContact O-N 3.24Å; V298-L300 VanDerWaalsContact O-N 3.11Å
299K76.9Confident79.7Confident148 Ų148124.7 Ų124.764%0.64359%0.585SS**  trans-68.9107.1169.5-174.2-167.5175.6-136.60105.6R297 L301 E305R297-K299 PolarHBondContact O-N 3Å; K299-L301 PolarHBondContact O-N 2.56Å; K299-E305 VanDerWaalsContact NZ-CD 3.27Å; K299-E305 IonicContact NZ-OE1 3.01Å; K299-E305 PolarHBondContact NZ-OE1 3.21Å; K299-E305 IonicContact NZ-OE2 3.84Å; K299-E305 PolarHBondContact NZ-OE2 2.91Å
300L78.1Confident80.4Confident148 Ų148119.9 Ų119.978%0.77558%0.576SS**PPolyproline II helixtrans-60.3128.6170.2-64.4175.6000107.7V298V298-L300 PolarHBondContact O-N 3.24Å; V298-L300 VanDerWaalsContact O-N 3.11Å
301L78.8Confident81.1Confident81 Ų81121.3 Ų121.342%0.42459%0.585SS.*PPolyproline II helixtrans-66.8139.5174-65.2156.3000107.7K299 E305 F306K299-L301 PolarHBondContact O-N 2.56Å; L301-E305 HydrophobicContact CB-CB 4.12Å; L301-E305 HydrophobicContact CD2-CB 3.83Å; L301-F306 HydrophobicContact CB-CB 4.24Å; L301-F306 HydrophobicContact CD1-CD2 4.4Å
302T84Confident81.9Confident74 Ų74121.9 Ų121.945%0.45459%0.588SS.*PPolyproline II helixtrans-68159.9165.159.40000109.4E304 E305 F306T302-E304 PolarHBondContact O-N 3.15Å; T302-E304 VanDerWaalsContact O-N 3.17Å; T302-E305 PolarHBondContact O-N 2.86Å; T302-E305 WeakPolarHBondContact OG1-CG 3.43Å; T302-E305 PolarHBondContact OG1-N 3.19Å; T302-F306 WeakPolarHBondContact O-CB 3.46Å; T302-F306 PolarHBondContact O-N 3.14Å
303K86.9Confident82.7Confident139 Ų139117 Ų11760%0.60457%0.574SS**Hα-helixtrans-49.9-42.2175.3-174.9174.5179.1172.80111.3F306 E307 E383K303-F306 PolarHBondContact O-N 3Å; K303-E307 VanDerWaalsContact CE-OE1 3.3Å; K303-E307 WeakPolarHBondContact CE-OE1 3.49Å; K303-E307 WeakPolarHBondContact O-CB 2.9Å; K303-E307 WeakPolarHBondContact O-CG 3.12Å; K303-E307 PolarHBondContact O-N 3.33Å; K303-E383 IonicContact NZ-OE1 2.73Å
304E85.7Confident83.2Confident155 Ų155115.7 Ų115.772%0.72457%0.57SS**Hα-helixtrans-64.8-46.2176.5-62.5179.3-179.100113.6T302 F306 E307 M308T302-E304 PolarHBondContact O-N 3.15Å; T302-E304 VanDerWaalsContact O-N 3.17Å; E304-F306 VanDerWaalsContact C-N 3.3Å; E304-F306 PolarHBondContact O-N 3.18Å; E304-E307 PolarHBondContact O-N 3.26Å; E304-M308 WeakPolarHBondContact O-CB 3.49Å; E304-M308 PolarHBondContact O-N 2.97Å
305E87.8Confident83.9Confident72 Ų72112.1 Ų112.134%0.33657%0.565SS.*Hα-helixtrans-62.2-40.5176.9-75.4179.8178.300110.7K299 L301 T302 M308 Q309K299-E305 VanDerWaalsContact NZ-CD 3.27Å; K299-E305 IonicContact NZ-OE1 3.01Å; K299-E305 PolarHBondContact NZ-OE1 3.21Å; K299-E305 IonicContact NZ-OE2 3.84Å; K299-E305 PolarHBondContact NZ-OE2 2.91Å; L301-E305 HydrophobicContact CB-CB 4.12Å; L301-E305 HydrophobicContact CD2-CB 3.83Å; T302-E305 PolarHBondContact O-N 2.86Å; T302-E305 WeakPolarHBondContact OG1-CG 3.43Å; T302-E305 PolarHBondContact OG1-N 3.19Å; E305-M308 PolarHBondContact O-N 3.22Å; E305-Q309 VanDerWaalsContact O-CB 3.29Å; E305-Q309 WeakPolarHBondContact O-CB 3.13Å; E305-Q309 PolarHBondContact O-N 3.2Å
306F85.8Confident85Confident138 Ų138113.6 Ų113.661%0.60556%0.563SS**Hα-helixtrans-65.1-47177.4178.1-97.9000112.1L301 T302 K303 E304 M308 Q309 G310L301-F306 HydrophobicContact CB-CB 4.24Å; L301-F306 HydrophobicContact CD1-CD2 4.4Å; T302-F306 WeakPolarHBondContact O-CB 3.46Å; T302-F306 PolarHBondContact O-N 3.14Å; K303-F306 PolarHBondContact O-N 3Å; E304-F306 VanDerWaalsContact C-N 3.3Å; E304-F306 PolarHBondContact O-N 3.18Å; F306-M308 PolarHBondContact O-N 3.26Å; F306-Q309 PolarHBondContact O-N 3.3Å; F306-G310 PolarHBondContact O-N 3.04Å
307E89.1Confident86Confident89 Ų89111 Ų11142%0.41655%0.551SS.*Hα-helixtrans-62.5-42.1176.5-75.9177.7-162.600111.9K303 E304 G310 K311K303-E307 VanDerWaalsContact CE-OE1 3.3Å; K303-E307 WeakPolarHBondContact CE-OE1 3.49Å; K303-E307 WeakPolarHBondContact O-CB 2.9Å; K303-E307 WeakPolarHBondContact O-CG 3.12Å; K303-E307 PolarHBondContact O-N 3.33Å; E304-E307 PolarHBondContact O-N 3.26Å; E307-G310 PolarHBondContact O-N 3.33Å; E307-K311 WeakPolarHBondContact O-CG 3.38Å; E307-K311 PolarHBondContact O-N 3.49Å
308M90.4Very high86.8Confident125 Ų125100.7 Ų100.762%0.61651%0.514SS*.Hα-helixtrans-63.2-45.6176.8-174.9-179-65.500111.3E304 E305 F306 G310 K311 L312E304-M308 WeakPolarHBondContact O-CB 3.49Å; E304-M308 PolarHBondContact O-N 2.97Å; E305-M308 PolarHBondContact O-N 3.22Å; F306-M308 PolarHBondContact O-N 3.26Å; M308-G310 VanDerWaalsContact C-N 3.33Å; M308-G310 PolarHBondContact O-N 3.39Å; M308-K311 PolarHBondContact O-N 3.49Å; M308-L312 HydrophobicContact CG-CD1 4.21Å; M308-L312 WeakPolarHBondContact O-CB 3.35Å; M308-L312 WeakPolarHBondContact O-CG 3.43Å; M308-L312 PolarHBondContact O-N 3.37Å
309Q90.4Very high87.7Confident90 Ų90100.1 Ų100.142%0.42150%0.503SS..Hα-helixtrans-63.7-40.3176.3-176.5174.3-13.200111.5E305 F306 L312 Q313E305-Q309 VanDerWaalsContact O-CB 3.29Å; E305-Q309 WeakPolarHBondContact O-CB 3.13Å; E305-Q309 PolarHBondContact O-N 3.2Å; F306-Q309 PolarHBondContact O-N 3.3Å; Q309-L312 PolarHBondContact O-N 3.42Å; Q309-Q313 HydrophobicContact CG-CG 4.32Å; Q309-Q313 WeakPolarHBondContact O-CB 3.21Å; Q309-Q313 WeakPolarHBondContact O-CG 3.4Å; Q309-Q313 PolarHBondContact O-N 3.4Å
310G90.3Very high88.4Confident31 Ų3198.2 Ų98.232%0.3250%0.497SS..Hα-helixtrans-57.8-48.6173.800000111.5F306 E307 M308 L312 T314F306-G310 PolarHBondContact O-N 3.04Å; E307-G310 PolarHBondContact O-N 3.33Å; M308-G310 VanDerWaalsContact C-N 3.33Å; M308-G310 PolarHBondContact O-N 3.39Å; G310-L312 PolarHBondContact O-N 2.82Å; G310-T314 WeakPolarHBondContact O-CB 3.36Å; G310-T314 PolarHBondContact O-N 3.34Å; G310-T314 PolarHBondContact O-OG1 3.04Å
311K89.6Confident89Confident145 Ų14595 Ų9563%0.6348%0.48SS*.Hα-helixtrans-62.1-43.1176.8-71.8172.1-174.5172.50112.3E307 M308 S315E307-K311 WeakPolarHBondContact O-CG 3.38Å; E307-K311 PolarHBondContact O-N 3.49Å; M308-K311 PolarHBondContact O-N 3.49Å; K311-S315 WeakPolarHBondContact O-CB 3.28Å; K311-S315 PolarHBondContact O-N 3.31Å; K311-S315 PolarHBondContact O-OG 2.92Å
312L92.3Very high89.3Confident108 Ų10893.1 Ų93.157%0.56547%0.467SS*.Hα-helixtrans-67.4-43.5179.4-76.1171.2000113M308 Q309 G310 S315 K316M308-L312 HydrophobicContact CG-CD1 4.21Å; M308-L312 WeakPolarHBondContact O-CB 3.35Å; M308-L312 WeakPolarHBondContact O-CG 3.43Å; M308-L312 PolarHBondContact O-N 3.37Å; Q309-L312 PolarHBondContact O-N 3.42Å; G310-L312 PolarHBondContact O-N 2.82Å; L312-S315 PolarHBondContact O-OG 2.99Å; L312-K316 VanDerWaalsContact O-CB 3.32Å; L312-K316 WeakPolarHBondContact O-CB 3.44Å; L312-K316 PolarHBondContact O-N 3.45Å
313Q91.9Very high89.5Confident111 Ų11193 Ų9352%0.51947%0.469SS..Hα-helixtrans-70.4-39.2177.7-72.5-70-5.500111.1Q309 K316 A317Q309-Q313 HydrophobicContact CG-CG 4.32Å; Q309-Q313 WeakPolarHBondContact O-CB 3.21Å; Q309-Q313 WeakPolarHBondContact O-CG 3.4Å; Q309-Q313 PolarHBondContact O-N 3.4Å; Q313-K316 PolarHBondContact O-N 3.01Å; Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.47Å; Q313-A317 PolarHBondContact O-N 3.19Å
314T89.6Confident89.5Confident64 Ų6491.4 Ų91.439%0.39346%0.462SS..Hα-helixtrans-62.2-48.1175.6-56.80000110.3G310 K316 A317 L318G310-T314 WeakPolarHBondContact O-CB 3.36Å; G310-T314 PolarHBondContact O-N 3.34Å; G310-T314 PolarHBondContact O-OG1 3.04Å; T314-K316 PolarHBondContact O-N 3.38Å; T314-A317 PolarHBondContact O-N 3.45Å; T314-L318 HydrophobicContact CG2-CD1 3.9Å; T314-L318 HydrophobicContact CG2-CG 4.3Å; T314-L318 WeakPolarHBondContact O-CB 3.32Å; T314-L318 WeakPolarHBondContact O-CG 3.38Å; T314-L318 PolarHBondContact O-N 3.48Å
315S88.7Confident89.5Confident65 Ų6584.2 Ų84.246%0.45543%0.429SS..Hα-helixtrans-62.8-42.1178.5680000112.2K311 L312 L318 E319K311-S315 WeakPolarHBondContact O-CB 3.28Å; K311-S315 PolarHBondContact O-N 3.31Å; K311-S315 PolarHBondContact O-OG 2.92Å; L312-S315 PolarHBondContact O-OG 2.99Å; S315-L318 PolarHBondContact O-N 2.76Å; S315-E319 WeakPolarHBondContact O-CB 3.43Å; S315-E319 PolarHBondContact O-N 3.31Å
316K93.5Very high89.2Confident120 Ų12085.4 Ų85.452%0.52244%0.438SS..Hα-helixtrans-63.2-46176.4-171.9-177.6177.4-164.30112.2L312 Q313 T314 E319 E320L312-K316 VanDerWaalsContact O-CB 3.32Å; L312-K316 WeakPolarHBondContact O-CB 3.44Å; L312-K316 PolarHBondContact O-N 3.45Å; Q313-K316 PolarHBondContact O-N 3.01Å; T314-K316 PolarHBondContact O-N 3.38Å; K316-E319 PolarHBondContact O-N 3.3Å; K316-E320 WeakPolarHBondContact CE-OE1 3.08Å; K316-E320 IonicContact NZ-OE1 3.45Å; K316-E320 WeakPolarHBondContact O-CG 3.08Å; K316-E320 PolarHBondContact O-N 2.77Å
317A92Very high89.3Confident54 Ų5480.4 Ų80.445%0.44642%0.42SS..Hα-helixtrans-65.9-37.6179.200000112.1Q313 T314 E320 L321Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.47Å; Q313-A317 PolarHBondContact O-N 3.19Å; T314-A317 PolarHBondContact O-N 3.45Å; A317-E320 PolarHBondContact O-N 3.44Å; A317-L321 VanDerWaalsContact O-CB 3.29Å; A317-L321 WeakPolarHBondContact O-CB 3.45Å; A317-L321 PolarHBondContact O-N 3.3Å
318L90.3Very high88.9Confident34 Ų3482.1 Ų82.118%0.17844%0.439CS..Hα-helixtrans-65.8-39.1174.4-69.8173.5000111.5T314 S315 L321 R322 F348 H354T314-L318 HydrophobicContact CG2-CD1 3.9Å; T314-L318 HydrophobicContact CG2-CG 4.3Å; T314-L318 WeakPolarHBondContact O-CB 3.32Å; T314-L318 WeakPolarHBondContact O-CG 3.38Å; T314-L318 PolarHBondContact O-N 3.48Å; S315-L318 PolarHBondContact O-N 2.76Å; L318-L321 PolarHBondContact O-N 2.88Å; L318-R322 VanDerWaalsContact O-CG 3.3Å; L318-R322 WeakPolarHBondContact O-CG 3.43Å; L318-R322 PolarHBondContact O-N 2.99Å; L318-F348 HydrophobicContact CB-CZ 4.41Å; L318-F348 HydrophobicContact CD2-CE2 3.82Å; L318-F348 HydrophobicContact CD2-CZ 3.77Å; L318-H354 HydrophobicContact CD1-CB 4.13Å; L318-H354 HydrophobicContact CD2-CB 4.34Å
319E89.9Confident88.5Confident111 Ų11184.4 Ų84.452%0.51945%0.448SS..Hα-helixtrans-68-43.4176.1-167.959.9-154.200111.9S315 K316 L321 R322 S323S315-E319 WeakPolarHBondContact O-CB 3.43Å; S315-E319 PolarHBondContact O-N 3.31Å; K316-E319 PolarHBondContact O-N 3.3Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 3.2Å; E319-R322 PolarHBondContact O-N 2.85Å; E319-R322 IonicContact OE2-NH1 3.7Å; E319-R322 PolarHBondContact OE2-NH1 3.46Å; E319-S323 WeakPolarHBondContact O-CB 3.39Å; E319-S323 PolarHBondContact O-N 2.91Å
320E91.8Very high87.9Confident109 Ų10981.8 Ų81.851%0.50944%0.435SS..Hα-helixtrans-58.6-43.2172.3-76.4179-171.100110.9K316 A317 S323 F324K316-E320 WeakPolarHBondContact CE-OE1 3.08Å; K316-E320 IonicContact NZ-OE1 3.45Å; K316-E320 WeakPolarHBondContact O-CG 3.08Å; K316-E320 PolarHBondContact O-N 2.77Å; A317-E320 PolarHBondContact O-N 3.44Å; E320-S323 PolarHBondContact O-N 2.74Å; E320-S323 PolarHBondContact O-OG 3.02Å; E320-F324 WeakPolarHBondContact O-CB 3.43Å; E320-F324 PolarHBondContact O-N 3.4Å
321L89.3Confident87.5Confident79 Ų7983.8 Ų83.841%0.41444%0.444SS..Hα-helixtrans-62.2-45.6176.3-175.864.5000112.1A317 L318 E319 S323 F324 C325 F348A317-L321 VanDerWaalsContact O-CB 3.29Å; A317-L321 WeakPolarHBondContact O-CB 3.45Å; A317-L321 PolarHBondContact O-N 3.3Å; L318-L321 PolarHBondContact O-N 2.88Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 3.2Å; L321-S323 PolarHBondContact O-N 2.95Å; L321-F324 PolarHBondContact O-N 2.91Å; L321-C325 WeakPolarHBondContact O-CB 3.4Å; L321-C325 PolarHBondContact O-N 2.87Å; L321-C325 PolarHBondContact O-SG 2.98Å; L321-C325 VanDerWaalsContact O-SG 3.33Å; L321-F348 HydrophobicContact CD2-CE1 3.94Å; L321-F348 HydrophobicContact CD2-CZ 4.09Å; L321-F348 HydrophobicContact CG-CE1 4.31Å
322R86.7Confident87.1Confident43 Ų4383 Ų8316%0.16244%0.437CS..Hα-helixtrans-59.9-46.2175.3-74.1170.7180165.4-2.8111.3L318 E319 F324 C325 N326 F348 G351 A352L318-R322 VanDerWaalsContact O-CG 3.3Å; L318-R322 WeakPolarHBondContact O-CG 3.43Å; L318-R322 PolarHBondContact O-N 2.99Å; E319-R322 PolarHBondContact O-N 2.85Å; E319-R322 IonicContact OE2-NH1 3.7Å; E319-R322 PolarHBondContact OE2-NH1 3.46Å; R322-F324 VanDerWaalsContact C-N 3.31Å; R322-F324 PolarHBondContact O-N 3.45Å; R322-C325 PolarHBondContact O-N 3.43Å; R322-N326 WeakPolarHBondContact O-CB 3.31Å; R322-N326 PolarHBondContact O-N 2.87Å; R322-N326 PolarHBondContact O-ND2 2.8Å; R322-F348 HydrophobicContact CG-CE1 3.97Å; R322-F348 HydrophobicContact CG-CZ 3.9Å; R322-F348 PolarHBondContact NE-O 2.91Å; R322-F348 VanDerWaalsContact NE-O 3.15Å; R322-G351 PolarHBondContact NH2-O 3.02Å; R322-A352 PolarHBondContact NH2-O 3.35Å
323S87.6Confident86.5Confident70 Ų7087.8 Ų87.849%0.4945%0.448SS..Hα-helixtrans-61.7-40.4178.378.50000111.8E319 E320 L321 N326 S327E319-S323 WeakPolarHBondContact O-CB 3.39Å; E319-S323 PolarHBondContact O-N 2.91Å; E320-S323 PolarHBondContact O-N 2.74Å; E320-S323 PolarHBondContact O-OG 3.02Å; L321-S323 PolarHBondContact O-N 2.95Å; S323-N326 PolarHBondContact O-N 3.39Å; S323-S327 PolarHBondContact O-N 2.77Å
324F87.2Confident86Confident106 Ų10685 Ų8547%0.46544%0.441SS..Hα-helixtrans-67.7-44.8178179.2-105.1000111.6E320 L321 R322 N326 S327 F330E320-F324 WeakPolarHBondContact O-CB 3.43Å; E320-F324 PolarHBondContact O-N 3.4Å; L321-F324 PolarHBondContact O-N 2.91Å; R322-F324 VanDerWaalsContact C-N 3.31Å; R322-F324 PolarHBondContact O-N 3.45Å; F324-N326 VanDerWaalsContact C-N 3.26Å; F324-N326 PolarHBondContact O-N 3.19Å; F324-S327 WeakPolarHBondContact O-CB 3.3Å; F324-S327 PolarHBondContact O-N 3.42Å; F324-S327 VanDerWaalsContact O-N 3.09Å; F324-F330 AromaticContact CD1-CD2 3.98Å; F324-F330 HydrophobicContact CD1-CD2 3.98Å; F324-F330 HydrophobicContact CD1-CE2 4.35Å; F324-F330 AromaticContact CE1-CD2 3.39Å; F324-F330 HydrophobicContact CE1-CD2 3.39Å; F324-F330 AromaticContact CE1-CE2 3.8Å; F324-F330 HydrophobicContact CE1-CE2 3.8Å; F324-F330 HydrophobicContact CE1-CG 4.3Å; F324-F330 HydrophobicContact CZ-CD2 4.01Å; F324-F330 WeakPolarHBondContact O-CB 3.25Å
325C84.5Confident85.6Confident4 Ų483.9 Ų83.93%0.02743%0.434CS..Hα-helixtrans-69.2-26.2178.7-68.10000112.9L321 R322 F330 F345 M349L321-C325 WeakPolarHBondContact O-CB 3.4Å; L321-C325 PolarHBondContact O-N 2.87Å; L321-C325 PolarHBondContact O-SG 2.98Å; L321-C325 VanDerWaalsContact O-SG 3.33Å; R322-C325 PolarHBondContact O-N 3.43Å; C325-F330 HydrophobicContact CB-CD1 4.13Å; C325-F330 HydrophobicContact CB-CE1 4.09Å; C325-F345 HydrophobicContact CB-CZ 4.24Å; C325-M349 HydrophobicContact CB-CE 3.59Å; C325-M349 HydrophobicContact CB-SD 3.1Å; C325-M349 WeakPolarHBondContact CB-SD 3.47Å; C325-M349 WeakPolarHBondContact O-CE 3.32Å
326N83.3Confident85.2Confident98 Ų9883 Ų8352%0.52442%0.424SS..Hα-helixtrans-81.9-13.3171.8-76.7-37.7000113.5R322 S323 F324 M349R322-N326 WeakPolarHBondContact O-CB 3.31Å; R322-N326 PolarHBondContact O-N 2.87Å; R322-N326 PolarHBondContact O-ND2 2.8Å; S323-N326 PolarHBondContact O-N 3.39Å; F324-N326 VanDerWaalsContact C-N 3.26Å; F324-N326 PolarHBondContact O-N 3.19Å; N326-M349 WeakPolarHBondContact OD1-CE 3.28Å
327S86.7Confident84.7Confident33 Ų3381.9 Ų81.923%0.23143%0.431CS..SBendtrans-64.8141.2176.8-178.10000111.3S323 F324 E329 F330S323-S327 PolarHBondContact O-N 2.77Å; F324-S327 WeakPolarHBondContact O-CB 3.3Å; F324-S327 PolarHBondContact O-N 3.42Å; F324-S327 VanDerWaalsContact O-N 3.09Å; S327-E329 PolarHBondContact O-N 2.86Å; S327-E329 VanDerWaalsContact O-N 3.14Å; S327-F330 PolarHBondContact O-N 2.82Å; S327-F330 VanDerWaalsContact O-N 3.16Å
328P81.7Confident84.4Confident125 Ų12589.8 Ų89.881%0.81245%0.449SS*.THydrogen-bonded Turntrans-63-17.7177.126.3-35.7000113.8F330P328-F330 VanDerWaalsContact C-N 3.3Å
329E81Confident84Confident173 Ų17391.3 Ų91.381%0.80846%0.457SS*.THydrogen-bonded Turntrans-74.7-19.2177.5-64.5-173.1166.700113.2S327S327-E329 PolarHBondContact O-N 2.86Å; S327-E329 VanDerWaalsContact O-N 3.14Å
330F79.1Confident83.6Confident35 Ų3591.2 Ų91.215%0.15447%0.469CS..SBendtrans-83.1127-175.4-176.7-109.9000112.5F324 C325 S327 P328 R332 V335 F345F324-F330 AromaticContact CD1-CD2 3.98Å; F324-F330 HydrophobicContact CD1-CD2 3.98Å; F324-F330 HydrophobicContact CD1-CE2 4.35Å; F324-F330 AromaticContact CE1-CD2 3.39Å; F324-F330 HydrophobicContact CE1-CD2 3.39Å; F324-F330 AromaticContact CE1-CE2 3.8Å; F324-F330 HydrophobicContact CE1-CE2 3.8Å; F324-F330 HydrophobicContact CE1-CG 4.3Å; F324-F330 HydrophobicContact CZ-CD2 4.01Å; F324-F330 WeakPolarHBondContact O-CB 3.25Å; C325-F330 HydrophobicContact CB-CD1 4.13Å; C325-F330 HydrophobicContact CB-CE1 4.09Å; S327-F330 PolarHBondContact O-N 2.82Å; S327-F330 VanDerWaalsContact O-N 3.16Å; P328-F330 VanDerWaalsContact C-N 3.3Å; F330-R332 VanDerWaalsContact C-N 3.25Å; F330-R332 HydrophobicContact CD1-CB 4.49Å; F330-R332 HydrophobicContact CD1-CG 3.73Å; F330-R332 HydrophobicContact CE1-CG 4.26Å; F330-R332 PolarHBondContact O-N 3.24Å; F330-V335 HydrophobicContact CE1-CB 4.36Å; F330-V335 HydrophobicContact CE1-CG2 4.23Å; F330-V335 HydrophobicContact CE2-CG2 3.99Å; F330-V335 HydrophobicContact CZ-CB 3.96Å; F330-V335 HydrophobicContact CZ-CG1 4.19Å; F330-V335 HydrophobicContact CZ-CG2 3.49Å; F330-V335 VanDerWaalsContact CZ-CG2 3.49Å; F330-F345 HydrophobicContact CE1-CZ 4.34Å
331S80.9Confident83.1Confident72 Ų7290 Ų9050%0.50347%0.466SS..  trans-7768.6179.454.70000112.4W333 S334 V335S331-W333 VanDerWaalsContact C-N 3.28Å; S331-W333 PolarHBondContact O-N 2.95Å; S331-W333 VanDerWaalsContact O-N 3.12Å; S331-S334 VanDerWaalsContact CB-OG 3.26Å; S331-S334 WeakPolarHBondContact CB-OG 3.35Å; S331-S334 WeakPolarHBondContact O-CB 3.26Å; S331-S334 PolarHBondContact O-N 3.41Å; S331-S334 PolarHBondContact O-OG 2.85Å; S331-S334 PolarHBondContact OG-OG 3.44Å; S331-V335 PolarHBondContact O-N 2.9Å
332R81.1Confident82.8Confident130 Ų13088.7 Ų88.749%0.49146%0.462SS..Hα-helixtrans-42.7-50-178-73-178.5-84.4159.7-6.8113.6F330 S334 V335 L336F330-R332 VanDerWaalsContact C-N 3.25Å; F330-R332 HydrophobicContact CD1-CB 4.49Å; F330-R332 HydrophobicContact CD1-CG 3.73Å; F330-R332 HydrophobicContact CE1-CG 4.26Å; F330-R332 PolarHBondContact O-N 3.24Å; R332-S334 VanDerWaalsContact C-N 3.31Å; R332-S334 PolarHBondContact O-N 3.31Å; R332-V335 PolarHBondContact O-N 2.9Å; R332-L336 HydrophobicContact CB-CD1 4.39Å; R332-L336 WeakPolarHBondContact O-CB 3.27Å; R332-L336 WeakPolarHBondContact O-CD1 3.22Å; R332-L336 WeakPolarHBondContact O-CG 3.43Å; R332-L336 PolarHBondContact O-N 3.48Å
333W78.9Confident82.6Confident207 Ų20794.1 Ų94.178%0.78449%0.489SS*.Hα-helixtrans-64.9-30.9-177.2-59.8115.6000114.4S331 V335 L336 S337S331-W333 VanDerWaalsContact C-N 3.28Å; S331-W333 PolarHBondContact O-N 2.95Å; S331-W333 VanDerWaalsContact O-N 3.12Å; W333-V335 VanDerWaalsContact C-N 3.31Å; W333-L336 HydrophobicContact CE3-CD1 3.87Å; W333-L336 HydrophobicContact CZ3-CD1 4.11Å; W333-S337 PolarHBondContact O-N 3.33Å; W333-S337 VanDerWaalsContact O-N 3.16Å; W333-S337 PolarHBondContact O-OG 2.87Å
334S82.2Confident82.2Confident53 Ų5394.8 Ų94.837%0.37148%0.484SS..Hα-helixtrans-73.8-24.8178.270.60000113.1S331 R332 S337 R338S331-S334 VanDerWaalsContact CB-OG 3.26Å; S331-S334 WeakPolarHBondContact CB-OG 3.35Å; S331-S334 WeakPolarHBondContact O-CB 3.26Å; S331-S334 PolarHBondContact O-N 3.41Å; S331-S334 PolarHBondContact O-OG 2.85Å; S331-S334 PolarHBondContact OG-OG 3.44Å; R332-S334 VanDerWaalsContact C-N 3.31Å; R332-S334 PolarHBondContact O-N 3.31Å; S334-S337 PolarHBondContact O-OG 3.29Å; S334-R338 WeakPolarHBondContact O-CD 3.28Å; S334-R338 WeakPolarHBondContact O-CG 3.28Å
335V81.6Confident82Confident41 Ų4191.5 Ų91.525%0.24847%0.47CS..Hα-helixtrans-89-42.4177.9176.40000109.9F330 S331 R332 W333 S337 R338 L339F330-V335 HydrophobicContact CE1-CB 4.36Å; F330-V335 HydrophobicContact CE1-CG2 4.23Å; F330-V335 HydrophobicContact CE2-CG2 3.99Å; F330-V335 HydrophobicContact CZ-CB 3.96Å; F330-V335 HydrophobicContact CZ-CG1 4.19Å; F330-V335 HydrophobicContact CZ-CG2 3.49Å; F330-V335 VanDerWaalsContact CZ-CG2 3.49Å; S331-V335 PolarHBondContact O-N 2.9Å; R332-V335 PolarHBondContact O-N 2.9Å; W333-V335 VanDerWaalsContact C-N 3.31Å; V335-S337 PolarHBondContact O-N 2.99Å; V335-R338 PolarHBondContact O-N 2.89Å; V335-L339 HydrophobicContact CG1-CD1 3.75Å; V335-L339 HydrophobicContact CG1-CG 4.25Å; V335-L339 WeakPolarHBondContact O-CG 3.48Å; V335-L339 PolarHBondContact O-N 3.09Å; V335-L339 VanDerWaalsContact O-N 3.12Å
336L80.9Confident81.9Confident46 Ų4693.4 Ų93.424%0.24149%0.486CS..Hα-helixtrans-54.5-37.5172.4-79.4157000112.7R332 W333 R338 P342 F345R332-L336 HydrophobicContact CB-CD1 4.39Å; R332-L336 WeakPolarHBondContact O-CB 3.27Å; R332-L336 WeakPolarHBondContact O-CD1 3.22Å; R332-L336 WeakPolarHBondContact O-CG 3.43Å; R332-L336 PolarHBondContact O-N 3.48Å; W333-L336 HydrophobicContact CE3-CD1 3.87Å; W333-L336 HydrophobicContact CZ3-CD1 4.11Å; L336-R338 PolarHBondContact O-N 2.95Å; L336-P342 HydrophobicContact CD2-CB 3.49Å; L336-P342 VanDerWaalsContact CD2-CB 3.49Å; L336-F345 HydrophobicContact CD2-CD1 4.29Å
337S82.3Confident81.9Confident97 Ų9794.3 Ų94.368%0.67849%0.489SS*.THydrogen-bonded Turntrans-73.1-13.6178.264.90000114.6W333 S334 V335W333-S337 PolarHBondContact O-N 3.33Å; W333-S337 VanDerWaalsContact O-N 3.16Å; W333-S337 PolarHBondContact O-OG 2.87Å; S334-S337 PolarHBondContact O-OG 3.29Å; V335-S337 PolarHBondContact O-N 2.99Å
338R85.1Confident81.8Confident220 Ų22093.7 Ų93.783%0.8348%0.482SS*.THydrogen-bonded Turntrans-104.9-14.6-179.3-63.9178.371.6-171.91.9113.2S334 V335 L336S334-R338 WeakPolarHBondContact O-CD 3.28Å; S334-R338 WeakPolarHBondContact O-CG 3.28Å; V335-R338 PolarHBondContact O-N 2.89Å; L336-R338 PolarHBondContact O-N 2.95Å
339L82.7Confident81.8Confident66 Ų6688.8 Ų88.835%0.34645%0.448SS..  trans-80140.9179.8-77.7159.3000110.3V335 F345V335-L339 HydrophobicContact CG1-CD1 3.75Å; V335-L339 HydrophobicContact CG1-CG 4.25Å; V335-L339 WeakPolarHBondContact O-CG 3.48Å; V335-L339 PolarHBondContact O-N 3.09Å; V335-L339 VanDerWaalsContact O-N 3.12Å; L339-F345 HydrophobicContact CD1-CB 3.76Å; L339-F345 HydrophobicContact CD1-CD1 3.94Å; L339-F345 HydrophobicContact CD1-CD2 3.91Å; L339-F345 HydrophobicContact CD1-CG 3.58Å
340S81.4Confident81.9Confident109 Ų10987.6 Ų87.676%0.76245%0.448SS*.SBendtrans-63-49.6171.1-176.40000110.4P342S340-P342 VanDerWaalsContact O-CD 3.32Å; S340-P342 WeakPolarHBondContact O-CD 3.5Å
341D81.8Confident82Confident82 Ų8287.9 Ų87.944%0.43946%0.461SS..  trans-121.685.3-173.1-65.6-63.1000111.6H343 Q344 F345D341-H343 PolarHBondContact O-N 2.85Å; D341-Q344 HydrophobicContact CB-CB 4.17Å; D341-Q344 HydrophobicContact CB-CG 3.94Å; D341-Q344 PolarHBondContact O-N 2.92Å; D341-F345 PolarHBondContact O-N 2.94Å
342P82.7Confident82Confident53 Ų5386 Ų8634%0.34445%0.449SS..Hα-helixtrans-62.9-26.1-179.524.1-33.6000113L336 S340 A346L336-P342 HydrophobicContact CD2-CB 3.49Å; L336-P342 VanDerWaalsContact CD2-CB 3.49Å; S340-P342 VanDerWaalsContact O-CD 3.32Å; S340-P342 WeakPolarHBondContact O-CD 3.5Å; P342-A346 PolarHBondContact O-N 3.1Å; P342-A346 VanDerWaalsContact O-N 3.09Å
343H82.4Confident81.9Confident157 Ų15784.1 Ų84.173%0.72745%0.449SS*.Hα-helixtrans-67.6-42.6176.2-91.1-75000112.8D341 F345 A346 M347D341-H343 PolarHBondContact O-N 2.85Å; H343-F345 VanDerWaalsContact C-N 3.3Å; H343-F345 PolarHBondContact O-N 2.93Å; H343-A346 PolarHBondContact O-N 2.85Å; H343-M347 PolarHBondContact O-N 3.49Å
344Q78.7Confident81.7Confident83 Ų8377.8 Ų77.839%0.38843%0.428SS..Hα-helixtrans-63.3-40.8177-69.5-177.6-4.900110.9D341 A346 M347 F348 F357D341-Q344 HydrophobicContact CB-CB 4.17Å; D341-Q344 HydrophobicContact CB-CG 3.94Å; D341-Q344 PolarHBondContact O-N 2.92Å; Q344-A346 VanDerWaalsContact C-N 3.32Å; Q344-A346 PolarHBondContact O-N 3.28Å; Q344-M347 PolarHBondContact O-N 2.97Å; Q344-F348 PolarHBondContact O-N 2.96Å; Q344-F357 HydrophobicContact CB-CD1 4.03Å; Q344-F357 HydrophobicContact CB-CE1 3.68Å; Q344-F357 HydrophobicContact CB-CZ 3.99Å; Q344-F357 HydrophobicContact CG-CD1 3.65Å; Q344-F357 HydrophobicContact CG-CE1 3.71Å; Q344-F357 HydrophobicContact CG-CG 4.38Å; Q344-F357 HydrophobicContact CG-CZ 4.49Å
345F83.1Confident81.2Confident37 Ų3779.3 Ų79.316%0.16243%0.432CS..Hα-helixtrans-60.2-41.8174.9-178.7-104.2000112.1C325 F330 L336 L339 D341 H343 F348 M349C325-F345 HydrophobicContact CB-CZ 4.24Å; F330-F345 HydrophobicContact CE1-CZ 4.34Å; L336-F345 HydrophobicContact CD2-CD1 4.29Å; L339-F345 HydrophobicContact CD1-CB 3.76Å; L339-F345 HydrophobicContact CD1-CD1 3.94Å; L339-F345 HydrophobicContact CD1-CD2 3.91Å; L339-F345 HydrophobicContact CD1-CG 3.58Å; D341-F345 PolarHBondContact O-N 2.94Å; H343-F345 VanDerWaalsContact C-N 3.3Å; H343-F345 PolarHBondContact O-N 2.93Å; F345-F348 PolarHBondContact O-N 3.48Å; F345-M349 HydrophobicContact CD1-CG 4.31Å; F345-M349 HydrophobicContact CE1-CG 3.99Å; F345-M349 HydrophobicContact CE1-SD 4.28Å; F345-M349 HydrophobicContact CZ-CG 4.1Å; F345-M349 HydrophobicContact CZ-SD 4.01Å; F345-M349 WeakPolarHBondContact O-CG 3.4Å; F345-M349 PolarHBondContact O-N 2.96Å; F345-M349 VanDerWaalsContact O-N 3.08Å
346A82.3Confident80.5Confident45 Ų4579.5 Ų79.537%0.37243%0.434SS..Hα-helixtrans-64.4-41.7175.400000112.5P342 H343 Q344 F348 M349 D350P342-A346 PolarHBondContact O-N 3.1Å; P342-A346 VanDerWaalsContact O-N 3.09Å; H343-A346 PolarHBondContact O-N 2.85Å; Q344-A346 VanDerWaalsContact C-N 3.32Å; Q344-A346 PolarHBondContact O-N 3.28Å; A346-F348 PolarHBondContact O-N 3.02Å; A346-M349 WeakPolarHBondContact O-CB 3.4Å; A346-M349 PolarHBondContact O-N 3.42Å; A346-D350 PolarHBondContact O-N 2.7Å; A346-D350 VanDerWaalsContact O-N 3.13Å
347M83.4Confident79.7Confident117 Ų11779.7 Ų79.758%0.57643%0.433SS*.Hα-helixtrans-63.9-40.5176-72.2-163.4166.400112.4H343 Q344 M349 D350 G351 A352H343-M347 PolarHBondContact O-N 3.49Å; Q344-M347 PolarHBondContact O-N 2.97Å; M347-M349 VanDerWaalsContact C-N 3.3Å; M347-M349 PolarHBondContact O-N 2.81Å; M347-D350 PolarHBondContact O-N 2.84Å; M347-G351 PolarHBondContact O-N 2.81Å; M347-A352 HydrophobicContact CB-CB 4.03Å; M347-A352 WeakPolarHBondContact O-CB 3.44Å; M347-A352 PolarHBondContact O-N 3.07Å
348F84.5Confident78.6Confident19 Ų1979.5 Ų79.58%0.08343%0.425CS..Hα-helixtrans-60.2-41.1174.9170.1-104.4000112.3L318 L321 R322 Q344 F345 A346 D350 G351 H354L318-F348 HydrophobicContact CB-CZ 4.41Å; L318-F348 HydrophobicContact CD2-CE2 3.82Å; L318-F348 HydrophobicContact CD2-CZ 3.77Å; L321-F348 HydrophobicContact CD2-CE1 3.94Å; L321-F348 HydrophobicContact CD2-CZ 4.09Å; L321-F348 HydrophobicContact CG-CE1 4.31Å; R322-F348 HydrophobicContact CG-CE1 3.97Å; R322-F348 HydrophobicContact CG-CZ 3.9Å; R322-F348 PolarHBondContact NE-O 2.91Å; R322-F348 VanDerWaalsContact NE-O 3.15Å; Q344-F348 PolarHBondContact O-N 2.96Å; F345-F348 PolarHBondContact O-N 3.48Å; A346-F348 PolarHBondContact O-N 3.02Å; F348-D350 VanDerWaalsContact C-N 3.31Å; F348-D350 PolarHBondContact O-N 3.04Å; F348-G351 PolarHBondContact O-N 2.97Å; F348-G351 VanDerWaalsContact O-N 3.16Å; F348-H354 HydrophobicContact CD2-CB 4.39Å; F348-H354 HydrophobicContact CE2-CB 4.27Å
349M81.5Confident77.2Confident22 Ų2275 Ų7511%0.10841%0.412CS..Hα-helixtrans-62-36.8176.6-70.6-84.7-76.300112.9C325 N326 F345 A346 M347 G351C325-M349 HydrophobicContact CB-CE 3.59Å; C325-M349 HydrophobicContact CB-SD 3.1Å; C325-M349 WeakPolarHBondContact CB-SD 3.47Å; C325-M349 WeakPolarHBondContact O-CE 3.32Å; N326-M349 WeakPolarHBondContact OD1-CE 3.28Å; F345-M349 HydrophobicContact CD1-CG 4.31Å; F345-M349 HydrophobicContact CE1-CG 3.99Å; F345-M349 HydrophobicContact CE1-SD 4.28Å; F345-M349 HydrophobicContact CZ-CG 4.1Å; F345-M349 HydrophobicContact CZ-SD 4.01Å; F345-M349 WeakPolarHBondContact O-CG 3.4Å; F345-M349 PolarHBondContact O-N 2.96Å; F345-M349 VanDerWaalsContact O-N 3.08Å; A346-M349 WeakPolarHBondContact O-CB 3.4Å; A346-M349 PolarHBondContact O-N 3.42Å; M347-M349 VanDerWaalsContact C-N 3.3Å; M347-M349 PolarHBondContact O-N 2.81Å; M349-G351 PolarHBondContact O-N 3.44Å
350D83.2Confident75.9Confident149 Ų14977.1 Ų77.180%0.79742%0.424SS*.THydrogen-bonded Turntrans-76.5-4.1177.7-75.3-16.2000113.3A346 M347 F348A346-D350 PolarHBondContact O-N 2.7Å; A346-D350 VanDerWaalsContact O-N 3.13Å; M347-D350 PolarHBondContact O-N 2.84Å; F348-D350 VanDerWaalsContact C-N 3.31Å; F348-D350 PolarHBondContact O-N 3.04Å
351G80.5Confident74.6Confident41 Ų4175 Ų7542%0.42341%0.409SS..THydrogen-bonded Turntrans108.67175.700000115R322 M347 F348 M349R322-G351 PolarHBondContact NH2-O 3.02Å; M347-G351 PolarHBondContact O-N 2.81Å; F348-G351 PolarHBondContact O-N 2.97Å; F348-G351 VanDerWaalsContact O-N 3.16Å; M349-G351 PolarHBondContact O-N 3.44Å
352A81.3Confident73.2Confident32 Ų3275.2 Ų75.226%0.26441%0.408SS..  trans-59.9150.4173.500000111.5R322 M347 H354R322-A352 PolarHBondContact NH2-O 3.35Å; M347-A352 HydrophobicContact CB-CB 4.03Å; M347-A352 WeakPolarHBondContact O-CB 3.44Å; M347-A352 PolarHBondContact O-N 3.07Å; A352-H354 PolarHBondContact O-N 3.1Å
353D79.3Confident71.8Confident91 Ų9178.7 Ų78.749%0.48742%0.424SS..  trans-66.4134.1178.1-166.4-0000110.3L355 S356D353-L355 PolarHBondContact O-N 2.72Å; D353-L355 PolarHBondContact OD1-N 3.45Å; D353-S356 WeakPolarHBondContact O-CB 3.42Å; D353-S356 PolarHBondContact O-N 2.83Å; D353-S356 VanDerWaalsContact O-N 3.12Å; D353-S356 PolarHBondContact O-OG 2.74Å
354H74.2Confident70.2Confident73 Ų7379.9 Ų79.934%0.33843%0.429SS..THydrogen-bonded Turntrans-60.3-21.6177.368.6-57.5000113.6L318 F348 A352L318-H354 HydrophobicContact CD1-CB 4.13Å; L318-H354 HydrophobicContact CD2-CB 4.34Å; F348-H354 HydrophobicContact CD2-CB 4.39Å; F348-H354 HydrophobicContact CE2-CB 4.27Å; A352-H354 PolarHBondContact O-N 3.1Å
355L72.4Confident68.6Low86 Ų8682.9 Ų82.945%0.4544%0.442SS..THydrogen-bonded Turntrans-93.4-7.9178.4-60.6175.4000114.1D353 F357 L358D353-L355 PolarHBondContact O-N 2.72Å; D353-L355 PolarHBondContact OD1-N 3.45Å; L355-F357 PolarHBondContact O-N 2.68Å; L355-F357 VanDerWaalsContact O-N 3.09Å; L355-L358 HydrophobicContact CD2-CD1 3.86Å; L355-L358 PolarHBondContact O-N 3.17Å
356S65.8Low66.7Low44 Ų4485.8 Ų85.831%0.30847%0.466SS..Hα-helixtrans-55.7-32.3-177.856.30000112.5D353D353-S356 WeakPolarHBondContact O-CB 3.42Å; D353-S356 PolarHBondContact O-N 2.83Å; D353-S356 VanDerWaalsContact O-N 3.12Å; D353-S356 PolarHBondContact O-OG 2.74Å
357F64.6Low64.9Low50 Ų5085.6 Ų85.622%0.21947%0.468CS..Hα-helixtrans-78-18.8-178.5-38.9-66.7000114.3Q344 L355Q344-F357 HydrophobicContact CB-CD1 4.03Å; Q344-F357 HydrophobicContact CB-CE1 3.68Å; Q344-F357 HydrophobicContact CB-CZ 3.99Å; Q344-F357 HydrophobicContact CG-CD1 3.65Å; Q344-F357 HydrophobicContact CG-CE1 3.71Å; Q344-F357 HydrophobicContact CG-CG 4.38Å; Q344-F357 HydrophobicContact CG-CZ 4.49Å; L355-F357 PolarHBondContact O-N 2.68Å; L355-F357 VanDerWaalsContact O-N 3.09Å
358L60.4Low63.3Low94 Ų9486.7 Ų86.749%0.49248%0.484SS..Hα-helixtrans-77.8-38.6177.1-72.1176.4000111.1L355 D360 S361 E362L355-L358 HydrophobicContact CD2-CD1 3.86Å; L355-L358 PolarHBondContact O-N 3.17Å; L358-D360 VanDerWaalsContact C-N 3.33Å; L358-D360 PolarHBondContact O-N 3.13Å; L358-S361 PolarHBondContact O-N 2.92Å; L358-S361 PolarHBondContact O-OG 2.65Å; L358-E362 PolarHBondContact O-N 3.22Å
359H55.3Low61.7Low124 Ų12491.5 Ų91.557%0.57451%0.511SS*.Hα-helixtrans-60.4-42.8178.2-98.7157.3000112.1S361 E362 D363H359-S361 PolarHBondContact O-N 3.34Å; H359-S361 VanDerWaalsContact O-N 3.16Å; H359-E362 IonicContact CD2-OE2 2.94Å; H359-E362 PolarHBondContact O-N 2.81Å; H359-E362 VanDerWaalsContact O-N 3.09Å; H359-D363 PolarHBondContact O-N 3.18Å; H359-D363 VanDerWaalsContact O-N 3.07Å
360D55.5Low60.2Low112 Ų11294.3 Ų94.360%0.59955%0.546SS*.Hα-helixtrans-59.5-30.3177.4-69.7-20.7000111.9L358L358-D360 VanDerWaalsContact C-N 3.33Å; L358-D360 PolarHBondContact O-N 3.13Å
361S54.4Low58.3Low64 Ų6493.2 Ų93.245%0.44854%0.54SS..Hα-helixtrans-83.6-27.4176.768.10000114.4L358 H359 F365L358-S361 PolarHBondContact O-N 2.92Å; L358-S361 PolarHBondContact O-OG 2.65Å; H359-S361 PolarHBondContact O-N 3.34Å; H359-S361 VanDerWaalsContact O-N 3.16Å; S361-F365 PolarHBondContact O-N 2.92Å
362E52Low56.6Low87 Ų8795.1 Ų95.141%0.40755%0.552SS.*Hα-helixtrans-73.8-37.4176.6-73.2-178.8170.500111.7L358 H359 E364 F365 S366L358-E362 PolarHBondContact O-N 3.22Å; H359-E362 IonicContact CD2-OE2 2.94Å; H359-E362 PolarHBondContact O-N 2.81Å; H359-E362 VanDerWaalsContact O-N 3.09Å; E362-E364 PolarHBondContact O-N 2.99Å; E362-F365 PolarHBondContact O-N 2.79Å; E362-S366 PolarHBondContact O-N 2.86Å; E362-S366 PolarHBondContact O-OG 3.04Å
363D52.6Low54.8Low126 Ų12696 Ų9667%0.67455%0.554SS**Hα-helixtrans-61.7-33.7175.4-76.3-21.7000111.4H359H359-D363 PolarHBondContact O-N 3.18Å; H359-D363 VanDerWaalsContact O-N 3.07Å
364E49.2Very low53Low181 Ų18199.2 Ų99.285%0.84657%0.571SS**Hα-helixtrans-87.2-16.1-179.5-153.5140.5-147.400113.6E362E362-E364 PolarHBondContact O-N 2.99Å
365F45.1Very low51.6Low147 Ų147100.4 Ų100.465%0.64558%0.584SS**Hα-helixtrans-101.47.2176.8-153.4-99.7000114.4S361 E362 G367S361-F365 PolarHBondContact O-N 2.92Å; E362-F365 PolarHBondContact O-N 2.79Å; F365-G367 PolarHBondContact O-N 3.12Å
366S43.6Very low50.1Low98 Ų9899 Ų9969%0.68558%0.58SS**  trans-70.369.7166.5-660000110.3E362E362-S366 PolarHBondContact O-N 2.86Å; E362-S366 PolarHBondContact O-OG 3.04Å
367G43.3Very low49.1Very low40 Ų4099.5 Ų99.541%0.41258%0.584SS.*  trans-59.1153.4168.600000110.4F365 N369F365-G367 PolarHBondContact O-N 3.12Å; G367-N369 CarbonylContact O-C 3.56Å; G367-N369 PolarHBondContact O-N 3.35Å
368P50.7Low47.8Very low140 Ų140107.1 Ų107.191%0.90961%0.612SS**SBendtrans-61.2-18.7-175.6-17.427.8000114
369N51.8Low47Very low121 Ų121111.7 Ų111.765%0.64762%0.624SS**SBendtrans-92.4109.2170.4-66.3-7.1000106G367 D371G367-N369 CarbonylContact O-C 3.56Å; G367-N369 PolarHBondContact O-N 3.35Å; N369-D371 PolarHBondContact O-N 3.45Å
370G50Low46.5Very low81 Ų81107.5 Ų107.584%0.83561%0.608SS**  trans-65.645.4-177.800000114.5A372G370-A372 PolarHBondContact O-N 3.35Å
371D43.2Very low45.8Very low125 Ų125108.2 Ų108.267%0.66861%0.612SS**  trans-77.8111.2174.2-58.8-23.7000106.7N369N369-D371 PolarHBondContact O-N 3.45Å
372A44.6Very low45.3Very low82 Ų82111.4 Ų111.468%0.67862%0.623SS**  trans-56.7141.5-178.100000111.3G370G370-A372 PolarHBondContact O-N 3.35Å
373P43.1Very low45Very low49 Ų49113.5 Ų113.532%0.31863%0.632SS.*  trans-61.7144.5-169.521.9-32.3000113.1T375 S376P373-T375 PolarHBondContact O-N 3.21Å; P373-S376 WeakPolarHBondContact O-CB 3.36Å; P373-S376 PolarHBondContact O-N 3.2Å
374L42.1Very low44.7Very low159 Ų159113.3 Ų113.383%0.83263%0.631SS**THydrogen-bonded Turntrans-55.9-18.3176.6-90.5137.2000114S377L374-S377 VanDerWaalsContact O-CB 3.25Å; L374-S377 WeakPolarHBondContact O-CB 3.41Å; L374-S377 PolarHBondContact O-N 3.36Å
375T43.6Very low44.6Very low99 Ų99108.8 Ų108.861%0.60762%0.62SS**THydrogen-bonded Turntrans-74.8-26.6174.548.70000112.4P373 S377 R378P373-T375 PolarHBondContact O-N 3.21Å; T375-S377 PolarHBondContact O-N 2.94Å; T375-R378 PolarHBondContact O-N 3.46Å
376S41.5Very low44.7Very low55 Ų55108.7 Ų108.739%0.38563%0.626SS.*THydrogen-bonded Turntrans-62.2-26.5170.7-176.70000111.8P373 R378 Y379 S380P373-S376 WeakPolarHBondContact O-CB 3.36Å; P373-S376 PolarHBondContact O-N 3.2Å; S376-R378 PolarHBondContact O-N 3.39Å; S376-R378 VanDerWaalsContact O-N 3.17Å; S376-Y379 PolarHBondContact O-N 3.49Å; S376-Y379 VanDerWaalsContact O-N 3.12Å; S376-S380 PolarHBondContact O-N 3.49Å; S376-S380 PolarHBondContact O-OG 3.24Å
377S44.7Very low44.8Very low56 Ų56108.2 Ų108.239%0.39262%0.623SS.*Hα-helixtrans-56.9-33.8178.7176.30000113.2L374 T375 Y379 S380 L381L374-S377 VanDerWaalsContact O-CB 3.25Å; L374-S377 WeakPolarHBondContact O-CB 3.41Å; L374-S377 PolarHBondContact O-N 3.36Å; T375-S377 PolarHBondContact O-N 2.94Å; S377-Y379 VanDerWaalsContact C-N 3.32Å; S377-Y379 PolarHBondContact O-N 2.73Å; S377-S380 VanDerWaalsContact CA-OG 3.28Å; S377-S380 WeakPolarHBondContact CA-OG 3.06Å; S377-L381 WeakPolarHBondContact O-CG 3.38Å; S377-L381 PolarHBondContact O-N 2.94Å
378R37.9Very low44.7Very low210 Ų210115.2 Ų115.279%0.79265%0.645SS**Hα-helixtrans-73.8-25.4-177.5-167.9174.7-80.2-176.1-2.4112.8T375 S376T375-R378 PolarHBondContact O-N 3.46Å; S376-R378 PolarHBondContact O-N 3.39Å; S376-R378 VanDerWaalsContact O-N 3.17Å
379Y43Very low44.3Very low190 Ų190117.7 Ų117.775%0.74564%0.644SS**Hα-helixtrans-94.4-34.5176.3-68.4-80.5000112.5S376 S377 L381 L382S376-Y379 PolarHBondContact O-N 3.49Å; S376-Y379 VanDerWaalsContact O-N 3.12Å; S377-Y379 VanDerWaalsContact C-N 3.32Å; S377-Y379 PolarHBondContact O-N 2.73Å; Y379-L381 PolarHBondContact O-N 3.28Å; Y379-L382 PolarHBondContact O-N 3.46Å
380S45.3Very low43.7Very low36 Ų36118.6 Ų118.625%0.25265%0.654SS.*Hα-helixtrans-71-25.6178.646.40000114.2S376 S377 L382 E383 D384S376-S380 PolarHBondContact O-N 3.49Å; S376-S380 PolarHBondContact O-OG 3.24Å; S377-S380 VanDerWaalsContact CA-OG 3.28Å; S377-S380 WeakPolarHBondContact CA-OG 3.06Å; S380-L382 PolarHBondContact O-N 3.33Å; S380-E383 PolarHBondContact O-N 3.12Å; S380-D384 PolarHBondContact O-N 3.07Å
381L40.2Very low43.2Very low127 Ų127127.7 Ų127.767%0.66568%0.675SS**THydrogen-bonded Turntrans-61.7-10.9171.7-78.7174.8000114S377 Y379S377-L381 WeakPolarHBondContact O-CG 3.38Å; S377-L381 PolarHBondContact O-N 2.94Å; Y379-L381 PolarHBondContact O-N 3.28Å
382L42.8Very low43.2Very low131 Ų131127.9 Ų127.969%0.68668%0.676SS**THydrogen-bonded Turntrans-100.6-11.7171.4-65.8176000113.7Y379 S380Y379-L382 PolarHBondContact O-N 3.46Å; S380-L382 PolarHBondContact O-N 3.33Å
383E45.7Very low43.1Very low130 Ų130130.3 Ų130.361%0.60768%0.675SS**THydrogen-bonded Turntrans-89.3-29.3176.1-81.6-173.1152.200112.6K303 S380 S385K303-E383 IonicContact NZ-OE1 2.73Å; S380-E383 PolarHBondContact O-N 3.12Å; E383-S385 VanDerWaalsContact C-N 3.27Å; E383-S385 PolarHBondContact O-N 3.23Å
384D46.7Very low43.1Very low122 Ų122134.8 Ų134.865%0.65270%0.695SS**G310 helixtrans-76.2-8.2-177.3-73.9-25.3000114.5S380S380-D384 PolarHBondContact O-N 3.07Å
385S47.9Very low43.1Very low86 Ų86133.4 Ų133.460%0.60169%0.687SS**G310 helixtrans-80.9-13.1179.763.90000115E383E383-S385 VanDerWaalsContact C-N 3.27Å; E383-S385 PolarHBondContact O-N 3.23Å
386D47.8Very low43.1Very low145 Ų145135.5 Ų135.578%0.77569%0.692SS**G310 helixtrans-1017.2-169.5-73.74.6000114
387S45.1Very low43.2Very low89 Ų89140.9 Ų140.962%0.62271%0.713SS**SBendtrans-109.4-4.4-178.763.90000116.2E389S387-E389 PolarHBondContact O-N 3.28Å
388E41.9Very low43.1Very low186 Ų186146.9 Ų146.987%0.86974%0.736SS**SBendtrans-98.659.9173.3-71.8-167.2171.800112.3
389E41.6Very low43.5Very low193 Ų193142.1 Ų142.190%0.90273%0.731SS**  trans-155.360.5162.2-112.8175.1-148.300110.1S387S387-E389 PolarHBondContact O-N 3.28Å
390T39.5Very low43.6Very low140 Ų140138.1 Ų138.186%0.85973%0.73SS**  trans-134.573.1159.217.40000109.6
391E38.1Very low43.4Very low272 Ų272147.4 Ų147.4100%1.27177%0.774SS**  trans-149.30149.1-119.1-178.7-171.300111.2

Retrieved 391 of 391 residues in 999.6 ms (Link to these results)

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