A0A3Q0KTM5_SCHMA Loading...

Tetraspanin, putative

AlphaFold DB (A0A5K4EX66), UniProt , Accession A0A3Q0KTM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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
1M61.9Low84.7Confident152 Ų15285.6 Ų85.675%0.74944%0.439SS*.  0105.40-77.2157.2159.600105.8L6 L95M1-L6 HydrophobicContact CB-CD1 4.18Å; M1-L6 HydrophobicContact CB-CD2 4.34Å; M1-L6 HydrophobicContact CB-CG 4.21Å; M1-L95 HydrophobicContact CG-CD1 4.21Å
2G72.6Confident85.4Confident22 Ų2283.3 Ų83.323%0.22744%0.437CS..  trans-72.8171.7170.200000112.8H4 L6 E91G2-H4 VanDerWaalsContact C-N 3.31Å; G2-H4 PolarHBondContact O-N 3.21Å; G2-L6 WeakPolarHBondContact O-CG 3.37Å; G2-E91 VanDerWaalsContact C-CD 3.45Å; G2-E91 WeakPolarHBondContact CA-OE1 3.35Å; G2-E91 WeakPolarHBondContact CA-OE2 3.25Å; G2-E91 PolarHBondContact N-OE1 3.12Å
3P84.1Confident86.1Confident78 Ų7884.4 Ų84.451%0.50645%0.449SS..Hα-helixtrans-73.1-22.7-171.428.5-34.5000113R7P3-R7 WeakPolarHBondContact O-CB 3.36Å; P3-R7 WeakPolarHBondContact O-CD 3.24Å; P3-R7 WeakPolarHBondContact O-CG 3.27Å; P3-R7 PolarHBondContact O-N 3.19Å; P3-R7 VanDerWaalsContact O-N 3.14Å
4H84.4Confident86.9Confident75 Ų7587 Ų8735%0.34746%0.461SS..Hα-helixtrans-76.1-47.6-174.1-71.3-83.9000111.8G2 L6 R7 I8 D87 E91G2-H4 VanDerWaalsContact C-N 3.31Å; G2-H4 PolarHBondContact O-N 3.21Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-L6 PolarHBondContact O-N 3.4Å; H4-R7 PolarHBondContact O-N 3.37Å; H4-I8 WeakPolarHBondContact O-CG1 3.46Å; H4-I8 PolarHBondContact O-N 3.41Å; H4-I8 VanDerWaalsContact O-N 3.1Å; H4-D87 IonicContact NE2-OD2 3.76Å; H4-E91 PolarHBondContact N-OE2 3.12Å
5L83.5Confident87.5Confident22 Ų2286.3 Ų86.312%0.11547%0.466CS..Hα-helixtrans-64.8-40.6176.5-62.2179.5000111.8R7 I8 S9 F88 E91 L92 L95L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 3.27Å; L5-I8 PolarHBondContact O-N 3.42Å; L5-S9 WeakPolarHBondContact O-CB 3.29Å; L5-S9 PolarHBondContact O-N 3.05Å; L5-S9 PolarHBondContact O-OG 3.07Å; L5-F88 HydrophobicContact CD2-CD2 3.37Å; L5-F88 HydrophobicContact CD2-CE2 3.28Å; L5-F88 HydrophobicContact CD2-CG 4.36Å; L5-F88 HydrophobicContact CD2-CZ 4.19Å; L5-E91 VanDerWaalsContact CB-OE1 3.22Å; L5-E91 WeakPolarHBondContact CB-OE1 3.24Å; L5-E91 HydrophobicContact CD1-CB 3.95Å; L5-E91 VanDerWaalsContact CD1-CD 3.48Å; L5-E91 HydrophobicContact CD1-CG 3.64Å; L5-E91 VanDerWaalsContact CD1-OE1 3.23Å; L5-E91 WeakPolarHBondContact CD1-OE1 3.24Å; L5-E91 HydrophobicContact CG-CB 4.03Å; L5-E91 HydrophobicContact CG-CG 3.9Å; L5-E91 VanDerWaalsContact CG-OE1 3.24Å; L5-E91 WeakPolarHBondContact CG-OE1 3.35Å; L5-E91 PolarHBondContact N-OE2 2.97Å; L5-E91 VanDerWaalsContact N-OE2 3.15Å; L5-L92 HydrophobicContact CD1-CB 4.33Å; L5-L92 HydrophobicContact CD1-CD1 4.48Å; L5-L92 HydrophobicContact CD2-CB 4.05Å; L5-L92 HydrophobicContact CD2-CD1 4.37Å; L5-L95 HydrophobicContact CD1-CB 4.45Å; L5-L95 HydrophobicContact CD1-CD2 4Å
6L88.1Confident88.1Confident86 Ų8687.4 Ų87.445%0.4547%0.47SS..Hα-helixtrans-59.1-46.4177.7-72.5175.2000111.2M1 G2 H4 S9 A10M1-L6 HydrophobicContact CB-CD1 4.18Å; M1-L6 HydrophobicContact CB-CD2 4.34Å; M1-L6 HydrophobicContact CB-CG 4.21Å; G2-L6 WeakPolarHBondContact O-CG 3.37Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-L6 PolarHBondContact O-N 3.4Å; L6-S9 PolarHBondContact O-N 3.19Å; L6-S9 PolarHBondContact O-OG 2.76Å; L6-A10 VanDerWaalsContact O-CB 3.3Å; L6-A10 WeakPolarHBondContact O-CB 3.35Å; L6-A10 PolarHBondContact O-N 3.41Å
7R90.1Very high88.6Confident155 Ų15584 Ų8459%0.58546%0.46SS*.Hα-helixtrans-60.5-47.1176.8-73.9170.2-176.9-167.91.8112.3P3 H4 L5 A10 Y11P3-R7 WeakPolarHBondContact O-CB 3.36Å; P3-R7 WeakPolarHBondContact O-CD 3.24Å; P3-R7 WeakPolarHBondContact O-CG 3.27Å; P3-R7 PolarHBondContact O-N 3.19Å; P3-R7 VanDerWaalsContact O-N 3.14Å; H4-R7 PolarHBondContact O-N 3.37Å; L5-R7 VanDerWaalsContact C-N 3.34Å; L5-R7 PolarHBondContact O-N 3.27Å; R7-A10 PolarHBondContact O-N 3.22Å; R7-Y11 HydrophobicContact CB-CE2 4.3Å; R7-Y11 WeakPolarHBondContact O-CD2 3.41Å; R7-Y11 PolarHBondContact O-N 3.34Å
8I88.7Confident89.1Confident80 Ų8080.9 Ų80.941%0.4145%0.451SS..Hα-helixtrans-64.9-43.4-179.4-69.1162.9000111.1H4 L5 A10 Y11 S12 F88H4-I8 WeakPolarHBondContact O-CG1 3.46Å; H4-I8 PolarHBondContact O-N 3.41Å; H4-I8 VanDerWaalsContact O-N 3.1Å; L5-I8 PolarHBondContact O-N 3.42Å; I8-A10 PolarHBondContact O-N 2.92Å; I8-Y11 PolarHBondContact O-N 2.73Å; I8-S12 WeakPolarHBondContact O-CB 3.2Å; I8-S12 PolarHBondContact O-N 2.96Å; I8-S12 PolarHBondContact O-OG 2.88Å; I8-F88 HydrophobicContact CD1-CD2 3.28Å; I8-F88 HydrophobicContact CD1-CE2 3.53Å; I8-F88 HydrophobicContact CD1-CG 4.2Å
9S89.2Confident89.4Confident58 Ų5880.9 Ų80.941%0.40645%0.453SS..Hα-helixtrans-63.7-40.5177.770.50000112.2L5 L6 S12 T13L5-S9 WeakPolarHBondContact O-CB 3.29Å; L5-S9 PolarHBondContact O-N 3.05Å; L5-S9 PolarHBondContact O-OG 3.07Å; L6-S9 PolarHBondContact O-N 3.19Å; L6-S9 PolarHBondContact O-OG 2.76Å; S9-S12 PolarHBondContact O-N 2.68Å; S9-T13 WeakPolarHBondContact O-CB 3.37Å; S9-T13 PolarHBondContact O-N 3.37Å; S9-T13 PolarHBondContact O-OG1 2.99Å
10A94Very high89.7Confident46 Ų4681.8 Ų81.838%0.3846%0.455SS..Hα-helixtrans-65-49.2177.200000111.4L6 R7 I8 S12 T13 I14L6-A10 VanDerWaalsContact O-CB 3.3Å; L6-A10 WeakPolarHBondContact O-CB 3.35Å; L6-A10 PolarHBondContact O-N 3.41Å; R7-A10 PolarHBondContact O-N 3.22Å; I8-A10 PolarHBondContact O-N 2.92Å; A10-S12 VanDerWaalsContact C-N 3.32Å; A10-S12 PolarHBondContact O-N 2.59Å; A10-T13 PolarHBondContact O-N 3.15Å; A10-I14 VanDerWaalsContact O-CG1 3.29Å; A10-I14 WeakPolarHBondContact O-CG1 3.4Å; A10-I14 PolarHBondContact O-N 3.19Å
11Y94.6Very high90.1Very high168 Ų16883.2 Ų83.266%0.65946%0.462SS*.Hα-helixtrans-61.1-41177.3-69.8-48.7000112.4R7 I8 S15R7-Y11 HydrophobicContact CB-CE2 4.3Å; R7-Y11 WeakPolarHBondContact O-CD2 3.41Å; R7-Y11 PolarHBondContact O-N 3.34Å; I8-Y11 PolarHBondContact O-N 2.73Å; Y11-S15 WeakPolarHBondContact O-CB 3.5Å; Y11-S15 PolarHBondContact O-N 3.42Å
12S93.3Very high91.7Very high58 Ų5881.2 Ų81.241%0.40645%0.454SS..Hα-helixtrans-61.9-45175.9-56.80000111.6I8 S9 A10 S15 I16I8-S12 WeakPolarHBondContact O-CB 3.2Å; I8-S12 PolarHBondContact O-N 2.96Å; I8-S12 PolarHBondContact O-OG 2.88Å; S9-S12 PolarHBondContact O-N 2.68Å; A10-S12 VanDerWaalsContact C-N 3.32Å; A10-S12 PolarHBondContact O-N 2.59Å; S12-S15 PolarHBondContact O-N 3.19Å; S12-I16 WeakPolarHBondContact O-CB 3.07Å; S12-I16 WeakPolarHBondContact O-CD1 3.48Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.5Å; S12-I16 PolarHBondContact O-N 2.88Å
13T95.1Very high92.7Very high97 Ų9781.9 Ų81.960%0.59545%0.452SS*.Hα-helixtrans-66.1-42.4-179.5-55.40000111.9S9 A10 G17S9-T13 WeakPolarHBondContact O-CB 3.37Å; S9-T13 PolarHBondContact O-N 3.37Å; S9-T13 PolarHBondContact O-OG1 2.99Å; A10-T13 PolarHBondContact O-N 3.15Å; T13-G17 PolarHBondContact O-N 2.76Å
14I97.2Very high93.2Very high121 Ų12181.2 Ų81.262%0.62145%0.449SS*.Hα-helixtrans-63.9-42.9176.9-67.3165.7000110.5A10 G18A10-I14 VanDerWaalsContact O-CG1 3.29Å; A10-I14 WeakPolarHBondContact O-CG1 3.4Å; A10-I14 PolarHBondContact O-N 3.19Å; I14-G18 PolarHBondContact O-N 3.01Å
15S96Very high93.8Very high76 Ų7682.7 Ų82.753%0.53146%0.458SS..Hα-helixtrans-62.4-52177.9-176.60000111.7Y11 S12 G17 G18 V19Y11-S15 WeakPolarHBondContact O-CB 3.5Å; Y11-S15 PolarHBondContact O-N 3.42Å; S12-S15 PolarHBondContact O-N 3.19Å; S15-G17 PolarHBondContact O-N 3.38Å; S15-G18 PolarHBondContact O-N 3.21Å; S15-V19 WeakPolarHBondContact O-CG2 3.38Å; S15-V19 PolarHBondContact O-N 3.07Å
16I96.4Very high94.3Very high105 Ų10584.1 Ų84.154%0.53847%0.466SS..Hα-helixtrans-61-47.1179.2-65.8163.9000110.6S12 G18 V19 I20S12-I16 WeakPolarHBondContact O-CB 3.07Å; S12-I16 WeakPolarHBondContact O-CD1 3.48Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.5Å; S12-I16 PolarHBondContact O-N 2.88Å; I16-G18 VanDerWaalsContact C-N 3.34Å; I16-G18 PolarHBondContact O-N 3.2Å; I16-V19 PolarHBondContact O-N 3.23Å; I16-I20 HydrophobicContact CG2-CD1 3.87Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.5Å; I16-I20 PolarHBondContact O-N 2.91Å
17G97.3Very high94.6Very high29 Ų2980.8 Ų80.830%0.29945%0.452SS..Hα-helixtrans-61.1-40.8177.200000112.7T13 S15 I20 L21T13-G17 PolarHBondContact O-N 2.76Å; S15-G17 PolarHBondContact O-N 3.38Å; G17-I20 PolarHBondContact O-N 3.39Å; G17-L21 WeakPolarHBondContact O-CB 3.24Å; G17-L21 WeakPolarHBondContact O-CG 3.41Å; G17-L21 PolarHBondContact O-N 3.28Å
18G97Very high94.7Very high28 Ų2877.7 Ų77.729%0.28945%0.453SS..Hα-helixtrans-61.7-44.517600000112.8I14 S15 I16 L21 L22I14-G18 PolarHBondContact O-N 3.01Å; S15-G18 PolarHBondContact O-N 3.21Å; I16-G18 VanDerWaalsContact C-N 3.34Å; I16-G18 PolarHBondContact O-N 3.2Å; G18-L21 PolarHBondContact O-N 2.94Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 VanDerWaalsContact O-CG 3.28Å; G18-L22 WeakPolarHBondContact O-CG 3.44Å; G18-L22 PolarHBondContact O-N 3.49Å
19V95.3Very high95Very high81 Ų8175.2 Ų75.249%0.49144%0.444SS..Hα-helixtrans-62.2-44175.7173.70000111.1S15 I16 L22 L23S15-V19 WeakPolarHBondContact O-CG2 3.38Å; S15-V19 PolarHBondContact O-N 3.07Å; I16-V19 PolarHBondContact O-N 3.23Å; V19-L22 PolarHBondContact O-N 3.23Å; V19-L23 HydrophobicContact CG1-CD1 4.17Å; V19-L23 WeakPolarHBondContact O-CG 3.41Å; V19-L23 PolarHBondContact O-N 3.38Å
20I95.7Very high95.1Very high98 Ų9872.4 Ų72.450%0.50343%0.425SS..Hα-helixtrans-61.1-47.2177.4-66.1166.2000110.4I16 G17 L22 L23 S24I16-I20 HydrophobicContact CG2-CD1 3.87Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.5Å; I16-I20 PolarHBondContact O-N 2.91Å; G17-I20 PolarHBondContact O-N 3.39Å; I20-L22 PolarHBondContact O-N 2.66Å; I20-L23 PolarHBondContact O-N 2.98Å; I20-S24 PolarHBondContact O-N 3.22Å; I20-S24 PolarHBondContact O-OG 3.47Å; I20-S24 VanDerWaalsContact O-OG 3.08Å
21L96.9Very high94.9Very high113 Ų11372.3 Ų72.359%0.59242%0.424SS*.Hα-helixtrans-60.6-43177.4-74.7172.8000112.3G17 G18 S24 I25G17-L21 WeakPolarHBondContact O-CB 3.24Å; G17-L21 WeakPolarHBondContact O-CG 3.41Å; G17-L21 PolarHBondContact O-N 3.28Å; G18-L21 PolarHBondContact O-N 2.94Å; L21-S24 PolarHBondContact O-N 3.38Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.4Å; L21-I25 PolarHBondContact O-N 2.99Å
22L95.3Very high94.9Very high110 Ų11068.4 Ų68.458%0.57643%0.427SS*.Hα-helixtrans-61.3-46176.3-73.3172.3000111.5G18 V19 I20 S24 I25 L26G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 VanDerWaalsContact O-CG 3.28Å; G18-L22 WeakPolarHBondContact O-CG 3.44Å; G18-L22 PolarHBondContact O-N 3.49Å; V19-L22 PolarHBondContact O-N 3.23Å; I20-L22 PolarHBondContact O-N 2.66Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 2.89Å; L22-I25 PolarHBondContact O-N 2.69Å; L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.29Å; L22-L26 PolarHBondContact O-N 3.46Å
23L94.9Very high94.8Very high36 Ų3671.3 Ų71.319%0.18844%0.437CS..Hα-helixtrans-61.1-40.6176.1-70.6174000111.7V19 I20 G27 F42 L45V19-L23 HydrophobicContact CG1-CD1 4.17Å; V19-L23 WeakPolarHBondContact O-CG 3.41Å; V19-L23 PolarHBondContact O-N 3.38Å; I20-L23 PolarHBondContact O-N 2.98Å; L23-G27 PolarHBondContact O-N 2.86Å; L23-F42 WeakPolarHBondContact O-CD2 3.43Å; L23-F42 WeakPolarHBondContact O-CE2 3.49Å; L23-L45 HydrophobicContact CD2-CB 3.86Å; L23-L45 HydrophobicContact CD2-CD1 3.79Å; L23-L45 HydrophobicContact CD2-CG 4.44Å
24S94.9Very high94.5Very high63 Ų6373.1 Ų73.144%0.44144%0.439SS..Hα-helixtrans-64.1-44.5175.1-600000112.4I20 L21 L22 G27 C28I20-S24 PolarHBondContact O-N 3.22Å; I20-S24 PolarHBondContact O-OG 3.47Å; I20-S24 VanDerWaalsContact O-OG 3.08Å; L21-S24 PolarHBondContact O-N 3.38Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 2.89Å; S24-G27 PolarHBondContact O-N 3.43Å; S24-C28 WeakPolarHBondContact O-CB 3.25Å; S24-C28 PolarHBondContact O-N 2.9Å; S24-C28 PolarHBondContact O-SG 2.98Å; S24-C28 VanDerWaalsContact O-SG 3.4Å
25I95.9Very high94.1Very high107 Ų10770.8 Ų70.855%0.54943%0.427SS..Hα-helixtrans-63.7-44.7177.6-68.3164.4000110.4L21 L22 G27 C28 A29L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.4Å; L21-I25 PolarHBondContact O-N 2.99Å; L22-I25 PolarHBondContact O-N 2.69Å; I25-G27 VanDerWaalsContact C-N 3.33Å; I25-G27 PolarHBondContact O-N 3.28Å; I25-C28 PolarHBondContact O-N 3.36Å; I25-A29 WeakPolarHBondContact O-CA 3.41Å; I25-A29 WeakPolarHBondContact O-CB 3.47Å; I25-A29 PolarHBondContact O-N 3.35Å
26L94.4Very high93.8Very high52 Ų5270.9 Ų70.927%0.27242%0.416SS..Hα-helixtrans-61.6-42.1177.1-70172.4000111.7L22 G30 I38 F42 L45L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.29Å; L22-L26 PolarHBondContact O-N 3.46Å; L26-G30 WeakPolarHBondContact O-CA 3.39Å; L26-G30 PolarHBondContact O-N 2.93Å; L26-I38 HydrophobicContact CD2-CG2 4.06Å; L26-I38 WeakPolarHBondContact O-CG2 3.42Å; L26-F42 HydrophobicContact CB-CB 4.31Å; L26-F42 HydrophobicContact CB-CD2 4.37Å; L26-L45 HydrophobicContact CD1-CD1 3.89Å
27G93.8Very high93.5Very high15 Ų1570.1 Ų70.116%0.15542%0.419CS..Hα-helixtrans-62.5-50.8175.400000112.4L23 S24 I25 A31L23-G27 PolarHBondContact O-N 2.86Å; S24-G27 PolarHBondContact O-N 3.43Å; I25-G27 VanDerWaalsContact C-N 3.33Å; I25-G27 PolarHBondContact O-N 3.28Å; G27-A31 PolarHBondContact O-N 3.47Å
28C93.5Very high93.3Very high91 Ų9170.6 Ų70.662%0.61541%0.414SS*.Hα-helixtrans-66.6-45.6179.5-69.60000112.6S24 I25 A31 A32S24-C28 WeakPolarHBondContact O-CB 3.25Å; S24-C28 PolarHBondContact O-N 2.9Å; S24-C28 PolarHBondContact O-SG 2.98Å; S24-C28 VanDerWaalsContact O-SG 3.4Å; I25-C28 PolarHBondContact O-N 3.36Å; C28-A31 PolarHBondContact O-N 2.93Å; C28-A32 VanDerWaalsContact O-CB 3.29Å; C28-A32 WeakPolarHBondContact O-CB 3.5Å; C28-A32 PolarHBondContact O-N 3.46Å
29A93.7Very high93.1Very high27 Ų2769.4 Ų69.422%0.22340%0.401CS..Hα-helixtrans-68-39.5179.800000111.8I25 A31 A32 L33I25-A29 WeakPolarHBondContact O-CA 3.41Å; I25-A29 WeakPolarHBondContact O-CB 3.47Å; I25-A29 PolarHBondContact O-N 3.35Å; A29-A31 VanDerWaalsContact C-N 3.29Å; A29-A31 PolarHBondContact O-N 2.98Å; A29-A32 PolarHBondContact O-N 3.41Å; A29-L33 HydrophobicContact CB-CD1 4.11Å; A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 WeakPolarHBondContact O-CG 3.33Å; A29-L33 PolarHBondContact O-N 3.34Å
30G91.7Very high93Very high0 Ų068.8 Ų68.80%040%0.397CS..Hα-helixtrans-61.7-36.7175.100000112.8L26L26-G30 WeakPolarHBondContact O-CA 3.39Å; L26-G30 PolarHBondContact O-N 2.93Å
31A91.1Very high92.9Very high44 Ų4467 Ų6736%0.36439%0.391SS..Hα-helixtrans-75.4-43174.600000112.9G27 C28 A29 L227G27-A31 PolarHBondContact O-N 3.47Å; C28-A31 PolarHBondContact O-N 2.93Å; A29-A31 VanDerWaalsContact C-N 3.29Å; A29-A31 PolarHBondContact O-N 2.98Å; A31-L227 HydrophobicContact CB-CD1 4.3Å
32A92.8Very high92.7Very high86 Ų8663 Ų6371%0.71137%0.369SS*.Hα-helixtrans-77.4-33.3-174.900000114.1C28 A29 E34C28-A32 VanDerWaalsContact O-CB 3.29Å; C28-A32 WeakPolarHBondContact O-CB 3.5Å; C28-A32 PolarHBondContact O-N 3.46Å; A29-A32 PolarHBondContact O-N 3.41Å; A32-E34 VanDerWaalsContact C-N 3.33Å
33L91.4Very high92.7Very high119 Ų11960 Ų6062%0.62335%0.351SS*.SBendtrans-88.8-2.2179.3-63.5166.6000112.7A29 N35 I38A29-L33 HydrophobicContact CB-CD1 4.11Å; A29-L33 WeakPolarHBondContact O-CB 3.42Å; A29-L33 WeakPolarHBondContact O-CG 3.33Å; A29-L33 PolarHBondContact O-N 3.34Å; L33-N35 HydrophobicContact CB-CB 4.15Å; L33-N35 PolarHBondContact O-N 3.47Å; L33-I38 HydrophobicContact CD1-CD1 4.03Å
34E88.6Confident92.6Very high135 Ų13562.5 Ų62.563%0.63137%0.368SS*.  trans50.126.7-173.3-55.8-173.9158.800113.1A32 R36 F231A32-E34 VanDerWaalsContact C-N 3.33Å; E34-R36 PolarHBondContact O-N 3.45Å; E34-F231 HydrophobicContact CB-CD1 4.32Å; E34-F231 HydrophobicContact CB-CE1 3.7Å; E34-F231 HydrophobicContact CB-CE2 4.31Å; E34-F231 HydrophobicContact CB-CZ 3.7Å; E34-F231 HydrophobicContact CG-CE1 3.62Å; E34-F231 HydrophobicContact CG-CZ 3.68Å
35N88.5Confident92.6Very high71 Ų7163.8 Ų63.838%0.3837%0.369SS..  trans-89.8104.9-173.3-172.9-25.3000110.3L33 C37 I38 L39L33-N35 HydrophobicContact CB-CB 4.15Å; L33-N35 PolarHBondContact O-N 3.47Å; N35-C37 PolarHBondContact O-N 2.87Å; N35-C37 WeakPolarHBondContact OD1-CB 3.31Å; N35-C37 PolarHBondContact OD1-N 2.9Å; N35-I38 HydrophobicContact CB-CB 4.4Å; N35-I38 HydrophobicContact CB-CD1 4.03Å; N35-I38 HydrophobicContact CB-CG1 4.16Å; N35-I38 PolarHBondContact O-N 3.28Å; N35-I38 VanDerWaalsContact O-N 3.15Å; N35-L39 PolarHBondContact O-N 3.4Å
36R90Very high92.6Very high79 Ų7959.5 Ų59.530%0.29835%0.348SS..Hα-helixtrans-53.4-37.9179.1-67.2-170-175.8159.211.8113.7E34 L39 V40 F231 D235E34-R36 PolarHBondContact O-N 3.45Å; R36-L39 PolarHBondContact O-N 3.41Å; R36-V40 WeakPolarHBondContact O-CB 3.47Å; R36-V40 VanDerWaalsContact O-CG2 3.24Å; R36-V40 WeakPolarHBondContact O-CG2 3.28Å; R36-V40 PolarHBondContact O-N 3.23Å; R36-F231 HydrophobicContact CG-CB 4.07Å; R36-F231 HydrophobicContact CG-CD2 4.43Å; R36-F231 PolarHBondContact NH2-O 2.93Å; R36-D235 IonicContact CZ-OD2 2.95Å; R36-D235 IonicContact NE-OD2 3.99Å; R36-D235 IonicContact NH1-OD2 2.68Å; R36-D235 PolarHBondContact NH1-OD2 3.34Å; R36-D235 IonicContact NH2-OD1 3.52Å; R36-D235 IonicContact NH2-OD2 2.73Å; R36-D235 PolarHBondContact NH2-OD2 3.21Å
37C91.1Very high92.6Very high88 Ų8859.5 Ų59.560%0.59535%0.351SS*.Hα-helixtrans-62-48.7-179.2-173.60000110.6N35 L39 V40 T41N35-C37 PolarHBondContact O-N 2.87Å; N35-C37 WeakPolarHBondContact OD1-CB 3.31Å; N35-C37 PolarHBondContact OD1-N 2.9Å; C37-L39 PolarHBondContact O-N 2.97Å; C37-V40 PolarHBondContact O-N 3.26Å; C37-T41 WeakPolarHBondContact O-CG2 3.36Å; C37-T41 PolarHBondContact O-N 2.94Å
38I93.2Very high92.6Very high39 Ų3960.8 Ų60.820%0.236%0.364CS..Hα-helixtrans-62.6-45178.5-58.9177.8000110.3L26 L33 N35 V40 T41 F42L26-I38 HydrophobicContact CD2-CG2 4.06Å; L26-I38 WeakPolarHBondContact O-CG2 3.42Å; L33-I38 HydrophobicContact CD1-CD1 4.03Å; N35-I38 HydrophobicContact CB-CB 4.4Å; N35-I38 HydrophobicContact CB-CD1 4.03Å; N35-I38 HydrophobicContact CB-CG1 4.16Å; N35-I38 PolarHBondContact O-N 3.28Å; N35-I38 VanDerWaalsContact O-N 3.15Å; I38-V40 PolarHBondContact O-N 3.38Å; I38-T41 PolarHBondContact O-N 2.86Å; I38-T41 PolarHBondContact O-OG1 2.91Å; I38-F42 PolarHBondContact O-N 3.42Å
39L92.1Very high92.6Very high4 Ų460 Ų602%0.02135%0.354CS..Hα-helixtrans-64.6-39.9-179.9-170.965000112.6N35 R36 C37 F42 F43 L227 L228 F231N35-L39 PolarHBondContact O-N 3.4Å; R36-L39 PolarHBondContact O-N 3.41Å; C37-L39 PolarHBondContact O-N 2.97Å; L39-F42 HydrophobicContact CD1-CD1 4.48Å; L39-F42 PolarHBondContact O-N 3.24Å; L39-F43 WeakPolarHBondContact O-CB 3.26Å; L39-F43 PolarHBondContact O-N 3.5Å; L39-L227 HydrophobicContact CD2-CB 3.62Å; L39-L228 HydrophobicContact CB-CD2 4.09Å; L39-L228 HydrophobicContact CD2-CB 4.48Å; L39-L228 HydrophobicContact CD2-CD2 3.66Å; L39-L228 HydrophobicContact CD2-CG 3.63Å; L39-L228 HydrophobicContact CG-CD2 3.9Å; L39-L228 HydrophobicContact CG-CG 3.97Å; L39-F231 HydrophobicContact CD2-CD2 4.03Å; L39-F231 HydrophobicContact CD2-CE2 3.89Å
40V93.4Very high92.7Very high68 Ų6860.6 Ų60.641%0.41235%0.352SS..Hα-helixtrans-62.6-45173.3170.80000110.3R36 C37 I38 F42 F43 T44 L228R36-V40 WeakPolarHBondContact O-CB 3.47Å; R36-V40 VanDerWaalsContact O-CG2 3.24Å; R36-V40 WeakPolarHBondContact O-CG2 3.28Å; R36-V40 PolarHBondContact O-N 3.23Å; C37-V40 PolarHBondContact O-N 3.26Å; I38-V40 PolarHBondContact O-N 3.38Å; V40-F42 VanDerWaalsContact C-N 3.35Å; V40-F42 PolarHBondContact O-N 3.44Å; V40-F43 PolarHBondContact O-N 3Å; V40-T44 PolarHBondContact O-N 2.97Å; V40-T44 PolarHBondContact O-OG1 3.02Å; V40-L228 HydrophobicContact CG2-CD1 4.33Å; V40-L228 HydrophobicContact CG2-CD2 3.62Å
41T94Very high92.8Very high59 Ų5965.6 Ų65.636%0.36238%0.376SS..Hα-helixtrans-60.1-44.3177.362.90000112.3C37 I38 F43 T44 L45C37-T41 WeakPolarHBondContact O-CG2 3.36Å; C37-T41 PolarHBondContact O-N 2.94Å; I38-T41 PolarHBondContact O-N 2.86Å; I38-T41 PolarHBondContact O-OG1 2.91Å; T41-F43 PolarHBondContact O-N 3.33Å; T41-T44 PolarHBondContact O-N 3.29Å; T41-L45 WeakPolarHBondContact O-CB 3.48Å; T41-L45 VanDerWaalsContact O-CG 3.26Å; T41-L45 WeakPolarHBondContact O-CG 3.34Å; T41-L45 PolarHBondContact O-N 3.35Å
42F93.3Very high93Very high31 Ų3165.7 Ų65.714%0.13638%0.377CS..Hα-helixtrans-59.8-46.8175.3171.8-105.5000111.8L23 L26 I38 L39 V40 L45 L46L23-F42 WeakPolarHBondContact O-CD2 3.43Å; L23-F42 WeakPolarHBondContact O-CE2 3.49Å; L26-F42 HydrophobicContact CB-CB 4.31Å; L26-F42 HydrophobicContact CB-CD2 4.37Å; I38-F42 PolarHBondContact O-N 3.42Å; L39-F42 HydrophobicContact CD1-CD1 4.48Å; L39-F42 PolarHBondContact O-N 3.24Å; V40-F42 VanDerWaalsContact C-N 3.35Å; V40-F42 PolarHBondContact O-N 3.44Å; F42-L45 PolarHBondContact O-N 2.93Å; F42-L46 HydrophobicContact CD1-CD1 4.16Å; F42-L46 HydrophobicContact CD2-CG 4.39Å; F42-L46 HydrophobicContact CE1-CD1 3.42Å; F42-L46 VanDerWaalsContact CE1-CD1 3.42Å; F42-L46 HydrophobicContact CE1-CG 4.25Å; F42-L46 HydrophobicContact CE2-CD1 3.84Å; F42-L46 HydrophobicContact CE2-CD2 4.4Å; F42-L46 HydrophobicContact CE2-CG 3.96Å; F42-L46 HydrophobicContact CZ-CD1 3.25Å; F42-L46 HydrophobicContact CZ-CG 3.9Å; F42-L46 PolarHBondContact O-N 2.85Å
43F94Very high93Very high47 Ų4764.3 Ų64.321%0.20636%0.361CS..Hα-helixtrans-61.1-45.3177.9-179.8-96.6000112.2L39 V40 T41 L45 L46 C47 L221 L225 L228L39-F43 WeakPolarHBondContact O-CB 3.26Å; L39-F43 PolarHBondContact O-N 3.5Å; V40-F43 PolarHBondContact O-N 3Å; T41-F43 PolarHBondContact O-N 3.33Å; F43-L45 PolarHBondContact O-N 2.91Å; F43-L46 PolarHBondContact O-N 2.93Å; F43-C47 VanDerWaalsContact O-CB 3.31Å; F43-C47 WeakPolarHBondContact O-CB 3.33Å; F43-C47 PolarHBondContact O-N 3.24Å; F43-L221 HydrophobicContact CD2-CD2 3.65Å; F43-L221 HydrophobicContact CE2-CB 4.06Å; F43-L221 HydrophobicContact CE2-CD2 3.46Å; F43-L221 VanDerWaalsContact CE2-CD2 3.46Å; F43-L221 HydrophobicContact CE2-CG 4.36Å; F43-L221 HydrophobicContact CG-CD2 4.46Å; F43-L221 HydrophobicContact CZ-CD2 4.16Å; F43-L225 HydrophobicContact CD2-CD2 4.48Å; F43-L225 HydrophobicContact CD2-CG 4.36Å; F43-L225 HydrophobicContact CE1-CD2 4.23Å; F43-L225 HydrophobicContact CE2-CD1 4.12Å; F43-L225 HydrophobicContact CE2-CD2 3.74Å; F43-L225 HydrophobicContact CE2-CG 3.54Å; F43-L225 HydrophobicContact CZ-CD1 4.21Å; F43-L225 HydrophobicContact CZ-CD2 3.59Å; F43-L225 HydrophobicContact CZ-CG 3.84Å; F43-L228 HydrophobicContact CB-CD1 4.44Å; F43-L228 HydrophobicContact CG-CD1 4.45Å
44T94.3Very high93.1Very high88 Ų8862.6 Ų62.654%0.5435%0.352SS..Hα-helixtrans-62.1-42.4177.2-56.80000111.6V40 T41 C47 G48V40-T44 PolarHBondContact O-N 2.97Å; V40-T44 PolarHBondContact O-OG1 3.02Å; T41-T44 PolarHBondContact O-N 3.29Å; T44-C47 PolarHBondContact O-N 3.34Å; T44-G48 PolarHBondContact O-N 3.46Å
45L94.8Very high93.5Very high89 Ų8960 Ų6047%0.46635%0.345SS..Hα-helixtrans-64.5-45.2176.9-70.9173.4000112.1L23 L26 T41 F42 F43 G48 L49L23-L45 HydrophobicContact CD2-CB 3.86Å; L23-L45 HydrophobicContact CD2-CD1 3.79Å; L23-L45 HydrophobicContact CD2-CG 4.44Å; L26-L45 HydrophobicContact CD1-CD1 3.89Å; T41-L45 WeakPolarHBondContact O-CB 3.48Å; T41-L45 VanDerWaalsContact O-CG 3.26Å; T41-L45 WeakPolarHBondContact O-CG 3.34Å; T41-L45 PolarHBondContact O-N 3.35Å; F42-L45 PolarHBondContact O-N 2.93Å; F43-L45 PolarHBondContact O-N 2.91Å; L45-G48 PolarHBondContact O-N 3.34Å; L45-L49 PolarHBondContact O-N 3.08Å
46L94.1Very high93.8Very high18 Ų1861.7 Ų61.79%0.09435%0.353CS..Hα-helixtrans-63.3-40.9176.2-79.3-171.4000112.5F42 F43 L49 F50 L221F42-L46 HydrophobicContact CD1-CD1 4.16Å; F42-L46 HydrophobicContact CD2-CG 4.39Å; F42-L46 HydrophobicContact CE1-CD1 3.42Å; F42-L46 VanDerWaalsContact CE1-CD1 3.42Å; F42-L46 HydrophobicContact CE1-CG 4.25Å; F42-L46 HydrophobicContact CE2-CD1 3.84Å; F42-L46 HydrophobicContact CE2-CD2 4.4Å; F42-L46 HydrophobicContact CE2-CG 3.96Å; F42-L46 HydrophobicContact CZ-CD1 3.25Å; F42-L46 HydrophobicContact CZ-CG 3.9Å; F42-L46 PolarHBondContact O-N 2.85Å; F43-L46 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.05Å; L46-F50 WeakPolarHBondContact O-CB 3.34Å; L46-F50 PolarHBondContact O-N 2.95Å; L46-L221 HydrophobicContact CB-CD2 3.76Å; L46-L221 HydrophobicContact CB-CG 4.46Å
47C94.4Very high94Very high51 Ų5159.6 Ų59.635%0.34536%0.356SS..Hα-helixtrans-63.1-44.8177.2-173.70000110.9F43 T44 L49 F50 M51 L221F43-C47 VanDerWaalsContact O-CB 3.31Å; F43-C47 WeakPolarHBondContact O-CB 3.33Å; F43-C47 PolarHBondContact O-N 3.24Å; T44-C47 PolarHBondContact O-N 3.34Å; C47-L49 PolarHBondContact O-N 2.88Å; C47-F50 PolarHBondContact O-N 3.31Å; C47-M51 WeakPolarHBondContact O-CG 3.48Å; C47-M51 PolarHBondContact O-N 3.46Å; C47-L221 HydrophobicContact CB-CD2 4.2Å
48G94.8Very high94.1Very high42 Ų4259.3 Ų59.343%0.43335%0.352SS..Hα-helixtrans-59.4-43.1174.100000112.9T44 L45 M51 A52T44-G48 PolarHBondContact O-N 3.46Å; L45-G48 PolarHBondContact O-N 3.34Å; G48-M51 PolarHBondContact O-N 2.9Å; G48-A52 WeakPolarHBondContact O-CB 3.29Å; G48-A52 PolarHBondContact O-N 3.39Å
49L93.9Very high94.2Very high75 Ų7561.7 Ų61.739%0.39337%0.365SS..Hα-helixtrans-62.7-45.4176.4-17863.3000111.7L45 L46 C47 M51 A52 C53 M217L45-L49 PolarHBondContact O-N 3.08Å; L46-L49 PolarHBondContact O-N 3.05Å; C47-L49 PolarHBondContact O-N 2.88Å; L49-M51 PolarHBondContact O-N 3.47Å; L49-A52 PolarHBondContact O-N 2.9Å; L49-C53 WeakPolarHBondContact O-CB 3.34Å; L49-C53 PolarHBondContact O-N 2.93Å; L49-C53 PolarHBondContact O-SG 3.32Å; L49-C53 VanDerWaalsContact O-SG 3.35Å; L49-M217 HydrophobicContact CD2-SD 4.06Å; L49-M217 HydrophobicContact CG-SD 4.11Å
50F94.4Very high94.2Very high40 Ų4064.6 Ų64.618%0.17538%0.383CS..Hα-helixtrans-59.1-47177.7-178-104.3000111.5L46 C47 A52 C53 L54 A214 M217 M218 L221L46-F50 WeakPolarHBondContact O-CB 3.34Å; L46-F50 PolarHBondContact O-N 2.95Å; C47-F50 PolarHBondContact O-N 3.31Å; F50-A52 PolarHBondContact O-N 3.32Å; F50-C53 PolarHBondContact O-N 3Å; F50-L54 HydrophobicContact CD1-CD1 4.03Å; F50-L54 HydrophobicContact CD1-CG 4.49Å; F50-L54 HydrophobicContact CE1-CD1 3.51Å; F50-L54 HydrophobicContact CE1-CG 4.17Å; F50-L54 HydrophobicContact CZ-CD1 3.95Å; F50-L54 HydrophobicContact CZ-CD2 4.39Å; F50-L54 HydrophobicContact CZ-CG 4.27Å; F50-L54 WeakPolarHBondContact O-CG 3.3Å; F50-L54 PolarHBondContact O-N 2.95Å; F50-A214 HydrophobicContact CE2-CB 4.47Å; F50-M217 HydrophobicContact CD2-CB 4.34Å; F50-M217 HydrophobicContact CD2-CE 4.04Å; F50-M218 HydrophobicContact CD2-SD 4.45Å; F50-M218 HydrophobicContact CE1-SD 4.14Å; F50-M218 HydrophobicContact CE2-CG 4.07Å; F50-M218 HydrophobicContact CE2-SD 3.89Å; F50-M218 HydrophobicContact CZ-CG 4.35Å; F50-M218 HydrophobicContact CZ-SD 3.72Å; F50-L221 HydrophobicContact CB-CD1 4.5Å
51M95.4Very high94.1Very high105 Ų10564.6 Ų64.652%0.51738%0.383SS..Hα-helixtrans-62.9-42.2176.6-68-57.6-66.500112.2C47 G48 L49 C53 L54 V55C47-M51 WeakPolarHBondContact O-CG 3.48Å; C47-M51 PolarHBondContact O-N 3.46Å; G48-M51 PolarHBondContact O-N 2.9Å; L49-M51 PolarHBondContact O-N 3.47Å; M51-C53 PolarHBondContact O-N 2.99Å; M51-L54 PolarHBondContact O-N 2.97Å; M51-L54 HydrophobicContact SD-CD1 4.38Å; M51-V55 WeakPolarHBondContact O-CG2 3.46Å; M51-V55 PolarHBondContact O-N 3.48Å
52A95.2Very high94.2Very high45 Ų4566.4 Ų66.437%0.37239%0.393SS..Hα-helixtrans-61.1-43.8175.600000111.7G48 L49 F50 L54 V55 I56G48-A52 WeakPolarHBondContact O-CB 3.29Å; G48-A52 PolarHBondContact O-N 3.39Å; L49-A52 PolarHBondContact O-N 2.9Å; F50-A52 PolarHBondContact O-N 3.32Å; A52-L54 PolarHBondContact O-N 2.98Å; A52-V55 PolarHBondContact O-N 3.44Å; A52-I56 WeakPolarHBondContact O-CB 3.48Å; A52-I56 VanDerWaalsContact O-CG1 3.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.31Å; A52-I56 PolarHBondContact O-N 3.47Å
53C93Very high94.3Very high57 Ų5769.4 Ų69.439%0.38541%0.407SS..Hα-helixtrans-60.7-42175.4-730000112.3L49 F50 M51 G57L49-C53 WeakPolarHBondContact O-CB 3.34Å; L49-C53 PolarHBondContact O-N 2.93Å; L49-C53 PolarHBondContact O-SG 3.32Å; L49-C53 VanDerWaalsContact O-SG 3.35Å; F50-C53 PolarHBondContact O-N 3Å; M51-C53 PolarHBondContact O-N 2.99Å; C53-G57 PolarHBondContact O-N 3.38Å
54L93.5Very high94.2Very high84 Ų8471.6 Ų71.644%0.4441%0.413SS..Hα-helixtrans-63.5-45.8176-71.8-177.8000112F50 M51 A52 G57 T58F50-L54 HydrophobicContact CD1-CD1 4.03Å; F50-L54 HydrophobicContact CD1-CG 4.49Å; F50-L54 HydrophobicContact CE1-CD1 3.51Å; F50-L54 HydrophobicContact CE1-CG 4.17Å; F50-L54 HydrophobicContact CZ-CD1 3.95Å; F50-L54 HydrophobicContact CZ-CD2 4.39Å; F50-L54 HydrophobicContact CZ-CG 4.27Å; F50-L54 WeakPolarHBondContact O-CG 3.3Å; F50-L54 PolarHBondContact O-N 2.95Å; M51-L54 PolarHBondContact O-N 2.97Å; M51-L54 HydrophobicContact SD-CD1 4.38Å; A52-L54 PolarHBondContact O-N 2.98Å; L54-G57 PolarHBondContact O-N 3.39Å; L54-T58 WeakPolarHBondContact O-CB 3.4Å; L54-T58 PolarHBondContact O-N 2.93Å; L54-T58 PolarHBondContact O-OG1 2.88Å; L54-T58 VanDerWaalsContact O-OG1 3.11Å
55V96.4Very high94.2Very high80 Ų8077.3 Ų77.349%0.48543%0.425SS..Hα-helixtrans-62.6-50178.4172.60000110.6M51 A52 G57 T58 L59M51-V55 WeakPolarHBondContact O-CG2 3.46Å; M51-V55 PolarHBondContact O-N 3.48Å; A52-V55 PolarHBondContact O-N 3.44Å; V55-G57 VanDerWaalsContact C-N 3.33Å; V55-G57 PolarHBondContact O-N 3.46Å; V55-T58 PolarHBondContact O-N 2.91Å; V55-L59 HydrophobicContact CG1-CD1 3.7Å; V55-L59 HydrophobicContact CG1-CG 4.2Å; V55-L59 WeakPolarHBondContact O-CB 3.38Å; V55-L59 VanDerWaalsContact O-CG 3.24Å; V55-L59 WeakPolarHBondContact O-CG 3.31Å; V55-L59 PolarHBondContact O-N 2.92Å
56I95.2Very high94.2Very high107 Ų10777.5 Ų77.555%0.54943%0.427SS..Hα-helixtrans-60.8-44.3178.8-67.2165.5000110.6A52 T60A52-I56 WeakPolarHBondContact O-CB 3.48Å; A52-I56 VanDerWaalsContact O-CG1 3.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.31Å; A52-I56 PolarHBondContact O-N 3.47Å; I56-T60 VanDerWaalsContact O-CB 3.24Å; I56-T60 WeakPolarHBondContact O-CB 3.35Å; I56-T60 PolarHBondContact O-N 3.32Å; I56-T60 PolarHBondContact O-OG1 3.36Å
57G92.8Very high94.2Very high34 Ų3480.3 Ų80.335%0.35144%0.441SS..Hα-helixtrans-58.1-53176.900000111.7C53 L54 V55 T60 T61C53-G57 PolarHBondContact O-N 3.38Å; L54-G57 PolarHBondContact O-N 3.39Å; V55-G57 VanDerWaalsContact C-N 3.33Å; V55-G57 PolarHBondContact O-N 3.46Å; G57-T60 PolarHBondContact O-N 2.95Å; G57-T61 VanDerWaalsContact O-CG2 3.25Å; G57-T61 WeakPolarHBondContact O-CG2 3.35Å; G57-T61 PolarHBondContact O-N 3.38Å; G57-T61 PolarHBondContact O-OG1 3.23Å
58T94.2Very high94.2Very high83 Ų8380.2 Ų80.251%0.50944%0.437SS..Hα-helixtrans-63.7-44.2179.2-62.10000112.4L54 V55 T60 T61 V62L54-T58 WeakPolarHBondContact O-CB 3.4Å; L54-T58 PolarHBondContact O-N 2.93Å; L54-T58 PolarHBondContact O-OG1 2.88Å; L54-T58 VanDerWaalsContact O-OG1 3.11Å; V55-T58 PolarHBondContact O-N 2.91Å; T58-T60 VanDerWaalsContact C-N 3.34Å; T58-T60 PolarHBondContact O-N 3.3Å; T58-T61 WeakPolarHBondContact CA-OG1 3.26Å; T58-T61 PolarHBondContact O-N 2.91Å; T58-T61 PolarHBondContact O-OG1 3.32Å; T58-V62 HydrophobicContact CG2-CG2 4.17Å; T58-V62 WeakPolarHBondContact O-CB 3.37Å; T58-V62 VanDerWaalsContact O-CG2 3.28Å; T58-V62 WeakPolarHBondContact O-CG2 3.43Å; T58-V62 PolarHBondContact O-N 2.98Å
59L95.7Very high94.2Very high89 Ų8982.7 Ų82.747%0.46644%0.439SS..Hα-helixtrans-62-44.3176.9-70.8176.5000111.2V55 T61 V62 F63V55-L59 HydrophobicContact CG1-CD1 3.7Å; V55-L59 HydrophobicContact CG1-CG 4.2Å; V55-L59 WeakPolarHBondContact O-CB 3.38Å; V55-L59 VanDerWaalsContact O-CG 3.24Å; V55-L59 WeakPolarHBondContact O-CG 3.31Å; V55-L59 PolarHBondContact O-N 2.92Å; L59-T61 VanDerWaalsContact C-N 3.28Å; L59-T61 PolarHBondContact O-N 3.41Å; L59-V62 PolarHBondContact O-N 3.22Å; L59-F63 HydrophobicContact CB-CD2 4.47Å; L59-F63 HydrophobicContact CD2-CD2 3.99Å; L59-F63 HydrophobicContact CD2-CE2 3.69Å; L59-F63 WeakPolarHBondContact O-CB 3.05Å; L59-F63 WeakPolarHBondContact O-CD2 3.45Å; L59-F63 PolarHBondContact O-N 3.47Å
60T92.4Very high94.3Very high65 Ų6583 Ų8340%0.39944%0.441SS..Hα-helixtrans-62.5-37.8177.1-56.20000111.1I56 G57 T58 R64 L67I56-T60 VanDerWaalsContact O-CB 3.24Å; I56-T60 WeakPolarHBondContact O-CB 3.35Å; I56-T60 PolarHBondContact O-N 3.32Å; I56-T60 PolarHBondContact O-OG1 3.36Å; G57-T60 PolarHBondContact O-N 2.95Å; T58-T60 VanDerWaalsContact C-N 3.34Å; T58-T60 PolarHBondContact O-N 3.3Å; T60-R64 WeakPolarHBondContact O-CG 3.15Å; T60-R64 PolarHBondContact O-N 2.93Å; T60-L67 HydrophobicContact CG2-CD1 4.03Å
61T90.9Very high94.3Very high67 Ų6784 Ų8441%0.41145%0.447SS..Hα-helixtrans-75.6-35.7-18061.30000114G57 T58 L59 R64G57-T61 VanDerWaalsContact O-CG2 3.25Å; G57-T61 WeakPolarHBondContact O-CG2 3.35Å; G57-T61 PolarHBondContact O-N 3.38Å; G57-T61 PolarHBondContact O-OG1 3.23Å; T58-T61 WeakPolarHBondContact CA-OG1 3.26Å; T58-T61 PolarHBondContact O-N 2.91Å; T58-T61 PolarHBondContact O-OG1 3.32Å; L59-T61 VanDerWaalsContact C-N 3.28Å; L59-T61 PolarHBondContact O-N 3.41Å; T61-R64 VanDerWaalsContact CG2-NH2 3.29Å; T61-R64 WeakPolarHBondContact O-CG 3.48Å; T61-R64 PolarHBondContact O-NE 3.49Å
62V95.5Very high94.4Very high97 Ų9780 Ų8059%0.58843%0.428SS*.Hα-helixtrans-74.6-47.6178.6171.90000110.6T58 L59 R64T58-V62 HydrophobicContact CG2-CG2 4.17Å; T58-V62 WeakPolarHBondContact O-CB 3.37Å; T58-V62 VanDerWaalsContact O-CG2 3.28Å; T58-V62 WeakPolarHBondContact O-CG2 3.43Å; T58-V62 PolarHBondContact O-N 2.98Å; L59-V62 PolarHBondContact O-N 3.22Å; V62-R64 PolarHBondContact O-N 3.14Å
63F95.1Very high94.4Very high95 Ų9582.4 Ų82.442%0.41744%0.435SS..SBendtrans-95.325.6-174.1-61.1-71.6000113.5L59 R65 D66 L67L59-F63 HydrophobicContact CB-CD2 4.47Å; L59-F63 HydrophobicContact CD2-CD2 3.99Å; L59-F63 HydrophobicContact CD2-CE2 3.69Å; L59-F63 WeakPolarHBondContact O-CB 3.05Å; L59-F63 WeakPolarHBondContact O-CD2 3.45Å; L59-F63 PolarHBondContact O-N 3.47Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 2.76Å; F63-D66 HydrophobicContact CB-CB 4.48Å; F63-D66 WeakPolarHBondContact CD1-OD2 3.37Å; F63-D66 PolarHBondContact O-N 2.91Å; F63-D66 VanDerWaalsContact O-N 3.17Å; F63-L67 VanDerWaalsContact O-CG 3.3Å; F63-L67 WeakPolarHBondContact O-CG 3.5Å; F63-L67 PolarHBondContact O-N 3.1Å
64R92.4Very high94.6Very high92 Ų9287.3 Ų87.335%0.34745%0.445SS..Hα-helixtrans-52-45.7-177.4-70.6-179.9-166.6-136.1-0.3112.9T60 T61 V62 L67 I68 F203T60-R64 WeakPolarHBondContact O-CG 3.15Å; T60-R64 PolarHBondContact O-N 2.93Å; T61-R64 VanDerWaalsContact CG2-NH2 3.29Å; T61-R64 WeakPolarHBondContact O-CG 3.48Å; T61-R64 PolarHBondContact O-NE 3.49Å; V62-R64 PolarHBondContact O-N 3.14Å; R64-L67 PolarHBondContact O-N 3.32Å; R64-I68 VanDerWaalsContact O-CG1 3.3Å; R64-I68 WeakPolarHBondContact O-CG1 3.23Å; R64-I68 PolarHBondContact O-N 3.48Å; R64-F203 VanDerWaalsContact CZ-CZ 3.44Å
65R93.4Very high94.7Very high208 Ų20883.9 Ų83.979%0.78543%0.427SS*.Hα-helixtrans-65.3-45.1-177.5-65.2-173.1-174.3-145.92.1111.1F63 L67 I68 I69F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 2.76Å; R65-L67 VanDerWaalsContact C-N 3.33Å; R65-L67 PolarHBondContact O-N 3.39Å; R65-I68 PolarHBondContact O-N 3.4Å; R65-I69 WeakPolarHBondContact O-CG1 3.38Å; R65-I69 PolarHBondContact O-N 2.88Å
66D95.4Very high94.7Very high94 Ų9481.5 Ų81.550%0.50341%0.414SS..Hα-helixtrans-66.4-37.6179.7-58.4-36.1000111.5F63 I69 L70F63-D66 HydrophobicContact CB-CB 4.48Å; F63-D66 WeakPolarHBondContact CD1-OD2 3.37Å; F63-D66 PolarHBondContact O-N 2.91Å; F63-D66 VanDerWaalsContact O-N 3.17Å; D66-I69 PolarHBondContact O-N 2.96Å; D66-L70 WeakPolarHBondContact O-CB 3.44Å; D66-L70 PolarHBondContact O-N 3.35Å
67L93.5Very high94.7Very high76 Ų7678.9 Ų78.940%0.39840%0.403SS..Hα-helixtrans-63.6-41.1173.8-69.5175.5000112.1T60 F63 R64 R65 M71T60-L67 HydrophobicContact CG2-CD1 4.03Å; F63-L67 VanDerWaalsContact O-CG 3.3Å; F63-L67 WeakPolarHBondContact O-CG 3.5Å; F63-L67 PolarHBondContact O-N 3.1Å; R64-L67 PolarHBondContact O-N 3.32Å; R65-L67 VanDerWaalsContact C-N 3.33Å; R65-L67 PolarHBondContact O-N 3.39Å; L67-M71 VanDerWaalsContact O-CB 3.31Å; L67-M71 WeakPolarHBondContact O-CB 3.32Å; L67-M71 PolarHBondContact O-N 3.42Å
68I94.1Very high94.8Very high50 Ų5077.2 Ų77.226%0.25639%0.386SS..Hα-helixtrans-63.5-49.5175-69.1165.6000110R64 R65 L70 M71 V72 I196R64-I68 VanDerWaalsContact O-CG1 3.3Å; R64-I68 WeakPolarHBondContact O-CG1 3.23Å; R64-I68 PolarHBondContact O-N 3.48Å; R65-I68 PolarHBondContact O-N 3.4Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L70 PolarHBondContact O-N 3.26Å; I68-M71 WeakPolarHBondContact O-CB 3.33Å; I68-M71 PolarHBondContact O-N 3.01Å; I68-M71 VanDerWaalsContact O-N 3.13Å; I68-V72 HydrophobicContact CG2-CG2 4.46Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.92Å; I68-I196 HydrophobicContact CG2-CD1 3.63Å; I68-I196 HydrophobicContact CG2-CG1 4.13Å
69I96Very high94.9Very high93 Ų9373.3 Ų73.348%0.47736%0.362SS..Hα-helixtrans-60.2-44.4178.9-67164.1000110.8R65 D66 M71 V72 N73R65-I69 WeakPolarHBondContact O-CG1 3.38Å; R65-I69 PolarHBondContact O-N 2.88Å; D66-I69 PolarHBondContact O-N 2.96Å; I69-M71 VanDerWaalsContact C-N 3.32Å; I69-M71 PolarHBondContact O-N 3.31Å; I69-V72 PolarHBondContact O-N 3.44Å; I69-N73 WeakPolarHBondContact O-CB 3.45Å; I69-N73 VanDerWaalsContact O-CG 3.27Å; I69-N73 PolarHBondContact O-N 2.94Å; I69-N73 PolarHBondContact O-ND2 3.14Å
70L95.8Very high94.9Very high82 Ų8271.1 Ų71.143%0.42935%0.349SS..Hα-helixtrans-59.5-45175.7-179.864.3000110.8D66 I68 N73 R74D66-L70 WeakPolarHBondContact O-CB 3.44Å; D66-L70 PolarHBondContact O-N 3.35Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L70 PolarHBondContact O-N 3.26Å; L70-N73 PolarHBondContact O-N 3.46Å; L70-R74 HydrophobicContact CD1-CG 4.04Å; L70-R74 HydrophobicContact CG-CG 4.26Å; L70-R74 WeakPolarHBondContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CG 3.49Å; L70-R74 PolarHBondContact O-N 2.75Å
71M95.1Very high95.1Very high62 Ų6273.5 Ų73.531%0.30536%0.356SS..Hα-helixtrans-60-49.3177.2-179.3-171.8174.200111.6L67 I68 I69 N73 R74 M75 I195L67-M71 VanDerWaalsContact O-CB 3.31Å; L67-M71 WeakPolarHBondContact O-CB 3.32Å; L67-M71 PolarHBondContact O-N 3.42Å; I68-M71 WeakPolarHBondContact O-CB 3.33Å; I68-M71 PolarHBondContact O-N 3.01Å; I68-M71 VanDerWaalsContact O-N 3.13Å; I69-M71 VanDerWaalsContact C-N 3.32Å; I69-M71 PolarHBondContact O-N 3.31Å; M71-N73 VanDerWaalsContact C-N 3.35Å; M71-N73 PolarHBondContact O-N 3.46Å; M71-R74 PolarHBondContact O-N 2.95Å; M71-M75 WeakPolarHBondContact O-CB 3.36Å; M71-M75 PolarHBondContact O-N 2.89Å; M71-I195 HydrophobicContact CE-CB 3.89Å; M71-I195 HydrophobicContact CE-CD1 3.52Å; M71-I195 HydrophobicContact CE-CG1 4.27Å; M71-I195 HydrophobicContact CE-CG2 3.4Å; M71-I195 HydrophobicContact SD-CG2 4.21Å
72V96.1Very high95.3Very high21 Ų2172.3 Ų72.313%0.12735%0.347CS..Hα-helixtrans-59.1-47177.8177.70000110.6I68 I69 R74 M75 S76 V105 A192I68-V72 HydrophobicContact CG2-CG2 4.46Å; I68-V72 WeakPolarHBondContact O-CG2 3.39Å; I68-V72 PolarHBondContact O-N 2.92Å; I69-V72 PolarHBondContact O-N 3.44Å; V72-R74 PolarHBondContact O-N 2.87Å; V72-M75 PolarHBondContact O-N 3.23Å; V72-S76 WeakPolarHBondContact O-CB 3.3Å; V72-S76 PolarHBondContact O-N 2.95Å; V72-V105 HydrophobicContact CG1-CG1 3.72Å; V72-A192 HydrophobicContact CG2-CB 3.87Å
73N96.5Very high95.3Very high94 Ų9468.1 Ų68.150%0.50332%0.321SS..Hα-helixtrans-62.2-44.6178.2-75.2-19.4000112.2I69 L70 M71 M75 S76 V77I69-N73 WeakPolarHBondContact O-CB 3.45Å; I69-N73 VanDerWaalsContact O-CG 3.27Å; I69-N73 PolarHBondContact O-N 2.94Å; I69-N73 PolarHBondContact O-ND2 3.14Å; L70-N73 PolarHBondContact O-N 3.46Å; M71-N73 VanDerWaalsContact C-N 3.35Å; M71-N73 PolarHBondContact O-N 3.46Å; N73-M75 VanDerWaalsContact C-N 3.33Å; N73-M75 PolarHBondContact O-N 2.85Å; N73-S76 PolarHBondContact O-N 3.43Å; N73-V77 WeakPolarHBondContact O-CG2 3.38Å; N73-V77 PolarHBondContact O-N 3.41Å
74R95.7Very high95.1Very high160 Ų16064.9 Ų64.960%0.60431%0.314SS*.Hα-helixtrans-64.4-38.8177.4-70.5-63.2179.5-163.7-0.9111.6L70 M71 V72 V77 A78L70-R74 HydrophobicContact CD1-CG 4.04Å; L70-R74 HydrophobicContact CG-CG 4.26Å; L70-R74 WeakPolarHBondContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CG 3.49Å; L70-R74 PolarHBondContact O-N 2.75Å; M71-R74 PolarHBondContact O-N 2.95Å; V72-R74 PolarHBondContact O-N 2.87Å; R74-V77 PolarHBondContact O-N 3.34Å; R74-A78 WeakPolarHBondContact O-CB 3.46Å; R74-A78 PolarHBondContact O-N 2.98Å
75M95.6Very high95.1Very high13 Ų1365 Ų656%0.06432%0.322CS..Hα-helixtrans-66.2-39.4175.2-161.5174.2-170.600111.7M71 V72 N73 A78 V79 L93 L96 V105 C191M71-M75 WeakPolarHBondContact O-CB 3.36Å; M71-M75 PolarHBondContact O-N 2.89Å; V72-M75 PolarHBondContact O-N 3.23Å; N73-M75 VanDerWaalsContact C-N 3.33Å; N73-M75 PolarHBondContact O-N 2.85Å; M75-A78 PolarHBondContact O-N 3.48Å; M75-V79 WeakPolarHBondContact O-CG2 3.42Å; M75-V79 PolarHBondContact O-N 3.34Å; M75-L93 HydrophobicContact CE-CD2 3.64Å; M75-L93 HydrophobicContact CG-CD2 4.27Å; M75-L96 HydrophobicContact CE-CD1 4.33Å; M75-V105 HydrophobicContact CB-CG1 4.3Å; M75-V105 HydrophobicContact CB-CG2 4.25Å; M75-V105 HydrophobicContact CG-CG2 4.05Å; M75-C191 HydrophobicContact CE-CB 3.25Å; M75-C191 HydrophobicContact SD-CB 3.98Å
76S96.3Very high95.1Very high29 Ų2956.8 Ų56.820%0.20330%0.296CS..Hα-helixtrans-63.5-43.5174.6-173.70000112.6V72 N73 V79 Q80V72-S76 WeakPolarHBondContact O-CB 3.3Å; V72-S76 PolarHBondContact O-N 2.95Å; N73-S76 PolarHBondContact O-N 3.43Å; S76-V79 PolarHBondContact O-N 2.98Å; S76-Q80 WeakPolarHBondContact O-CB 3.36Å; S76-Q80 WeakPolarHBondContact O-CG 3.2Å; S76-Q80 PolarHBondContact O-N 3.43Å; S76-Q80 PolarHBondContact OG-NE2 3.38Å
77V96.2Very high94.9Very high52 Ų5257.3 Ų57.332%0.31530%0.299SS..Hα-helixtrans-62.6-43.4172.6173.10000110.8N73 R74 V79 Q80 Q81N73-V77 WeakPolarHBondContact O-CG2 3.38Å; N73-V77 PolarHBondContact O-N 3.41Å; R74-V77 PolarHBondContact O-N 3.34Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V77-V79 PolarHBondContact O-N 3.33Å; V77-Q80 PolarHBondContact O-N 3.22Å; V77-Q81 HydrophobicContact CG1-CB 4.4Å; V77-Q81 HydrophobicContact CG1-CG 4.42Å; V77-Q81 WeakPolarHBondContact O-CB 3.18Å; V77-Q81 PolarHBondContact O-N 3.48Å
78A95.9Very high94.7Very high0 Ų056.5 Ų56.50%029%0.292CS..Iπ-helixtrans-61.1-41.6178.800000112R74 M75 D82 Y83 W89 L93R74-A78 WeakPolarHBondContact O-CB 3.46Å; R74-A78 PolarHBondContact O-N 2.98Å; M75-A78 PolarHBondContact O-N 3.48Å; A78-D82 CarbonylContact O-C 3.43Å; A78-D82 WeakPolarHBondContact O-CB 3.24Å; A78-D82 PolarHBondContact O-N 3.29Å; A78-D82 VanDerWaalsContact O-N 3.15Å; A78-Y83 PolarHBondContact O-N 3.48Å; A78-W89 HydrophobicContact CB-CD2 4.13Å; A78-W89 HydrophobicContact CB-CE3 3.71Å; A78-W89 HydrophobicContact CB-CZ3 4Å; A78-L93 HydrophobicContact CB-CD1 4.22Å
79V95.9Very high94.7Very high0 Ų058.4 Ų58.40%030%0.296CS..Iπ-helixtrans-65.5-42174.7171.80000111.6M75 S76 V77 Y83 L93 V105 L112 Y113 S116M75-V79 WeakPolarHBondContact O-CG2 3.42Å; M75-V79 PolarHBondContact O-N 3.34Å; S76-V79 PolarHBondContact O-N 2.98Å; V77-V79 VanDerWaalsContact C-N 3.34Å; V77-V79 PolarHBondContact O-N 3.33Å; V79-Y83 WeakPolarHBondContact O-CB 3.22Å; V79-L93 HydrophobicContact CG2-CD1 3.91Å; V79-L93 HydrophobicContact CG2-CD2 4.08Å; V79-V105 HydrophobicContact CG2-CG2 4.11Å; V79-L112 HydrophobicContact CB-CD2 4.05Å; V79-L112 HydrophobicContact CG1-CB 4.48Å; V79-L112 HydrophobicContact CG1-CD2 3.89Å; V79-L112 HydrophobicContact CG1-CG 4.04Å; V79-Y113 HydrophobicContact CG1-CD1 4.03Å; V79-Y113 HydrophobicContact CG1-CD2 4.37Å; V79-Y113 HydrophobicContact CG1-CE1 3.88Å; V79-Y113 HydrophobicContact CG1-CE2 4.22Å; V79-Y113 HydrophobicContact CG1-CG 4.27Å; V79-S116 WeakPolarHBondContact O-CB 3.24Å
80Q96.1Very high94.6Very high43 Ų4355.1 Ų55.120%0.20128%0.28CS..Iπ-helixtrans-78.3-43.2-175-70.7177.351.500113.5S76 V77 L112 R115 S116 V117S76-Q80 WeakPolarHBondContact O-CB 3.36Å; S76-Q80 WeakPolarHBondContact O-CG 3.2Å; S76-Q80 PolarHBondContact O-N 3.43Å; S76-Q80 PolarHBondContact OG-NE2 3.38Å; V77-Q80 PolarHBondContact O-N 3.22Å; Q80-L112 HydrophobicContact CG-CD1 4.13Å; Q80-L112 HydrophobicContact CG-CG 4.26Å; Q80-R115 HydrophobicContact CG-CB 4.42Å; Q80-R115 HydrophobicContact CG-CG 4.43Å; Q80-S116 CarbonylContact O-C 3.15Å; Q80-S116 WeakPolarHBondContact O-CA 3.25Å; Q80-V117 PolarHBondContact O-N 3.4Å
81Q95.6Very high94.4Very high115 Ų11552.3 Ų52.354%0.53727%0.265SS..Iπ-helixtrans-107.9-37.8-168.6-63.3-173.1-10.900113.1V77 N85V77-Q81 HydrophobicContact CG1-CB 4.4Å; V77-Q81 HydrophobicContact CG1-CG 4.42Å; V77-Q81 WeakPolarHBondContact O-CB 3.18Å; V77-Q81 PolarHBondContact O-N 3.48Å; Q81-N85 WeakPolarHBondContact O-CB 3.46Å
82D95.2Very high94.4Very high42 Ų4251.4 Ų51.423%0.22526%0.261CS..Iπ-helixtrans-96.5-27.8-171.1-63-53.7000113.6A78 G84 N85 S86 W89A78-D82 CarbonylContact O-C 3.43Å; A78-D82 WeakPolarHBondContact O-CB 3.24Å; A78-D82 PolarHBondContact O-N 3.29Å; A78-D82 VanDerWaalsContact O-N 3.15Å; D82-G84 PolarHBondContact O-N 3.33Å; D82-N85 PolarHBondContact O-N 3.46Å; D82-S86 PolarHBondContact O-N 3.28Å; D82-W89 HydrophobicContact CB-CB 3.65Å; D82-W89 VanDerWaalsContact CB-CD1 3.48Å; D82-W89 HydrophobicContact CB-CD2 4.46Å; D82-W89 HydrophobicContact CB-CG 3.62Å
83Y95Very high94.3Very high10 Ų1050.6 Ų50.64%0.03926%0.256CS..THydrogen-bonded Turntrans-62.3127.4177.4-168.4-92.3000110.3A78 V79 N85 T90 L93 D94 Y113 W118 P154A78-Y83 PolarHBondContact O-N 3.48Å; V79-Y83 WeakPolarHBondContact O-CB 3.22Å; Y83-N85 PolarHBondContact O-N 3.49Å; Y83-T90 HydrophobicContact CD2-CG2 4.18Å; Y83-T90 HydrophobicContact CE2-CG2 3.71Å; Y83-L93 HydrophobicContact CD2-CB 4.02Å; Y83-L93 HydrophobicContact CD2-CD1 3.7Å; Y83-L93 HydrophobicContact CE2-CB 4.23Å; Y83-L93 HydrophobicContact CG-CD1 4.38Å; Y83-D94 PolarHBondContact OH-OD1 2.89Å; Y83-D94 VanDerWaalsContact OH-OD1 3.1Å; Y83-Y113 HydrophobicContact CD1-CD1 4.28Å; Y83-Y113 AromaticContact CD1-CE1 3.7Å; Y83-Y113 HydrophobicContact CD1-CE1 3.7Å; Y83-Y113 HydrophobicContact CD2-CE1 4.25Å; Y83-Y113 AromaticContact CE1-CE1 3.91Å; Y83-Y113 HydrophobicContact CE1-CE1 3.91Å; Y83-Y113 HydrophobicContact CE2-CE1 4.42Å; Y83-Y113 AromaticContact CG-CE1 3.91Å; Y83-Y113 HydrophobicContact CG-CE1 3.91Å; Y83-W118 HydrophobicContact CD1-CB 3.81Å; Y83-W118 AromaticContact CD1-CD2 3.96Å; Y83-W118 HydrophobicContact CD1-CD2 3.96Å; Y83-W118 HydrophobicContact CD1-CE3 4.3Å; Y83-W118 AromaticContact CD1-CG 3.75Å; Y83-W118 HydrophobicContact CD1-CG 3.75Å; Y83-W118 HydrophobicContact CE1-CB 4.41Å; Y83-W118 AromaticContact CE1-CD2 3.73Å; Y83-W118 HydrophobicContact CE1-CD2 3.73Å; Y83-W118 AromaticContact CE1-CE2 3.96Å; Y83-W118 HydrophobicContact CE1-CE3 4.16Å; Y83-W118 AromaticContact CE1-CG 3.84Å; Y83-W118 HydrophobicContact CE1-CG 3.84Å; Y83-W118 WeakPolarHBondContact O-CB 3.41Å; Y83-P154 HydrophobicContact CE1-CB 4.15Å; Y83-P154 HydrophobicContact CE1-CG 4.42Å; Y83-P154 WeakPolarHBondContact OH-CB 3.23Å
84G91.4Very high94.3Very high26 Ų2648.2 Ų48.227%0.26824%0.243SC..THydrogen-bonded Turntrans70-2.9-172.600000115.4D82 T90 R121D82-G84 PolarHBondContact O-N 3.33Å; G84-T90 PolarHBondContact N-OG1 2.88Å; G84-R121 PolarHBondContact O-NH1 2.91Å
85N92.9Very high94.2Very high96 Ų9642.8 Ų42.851%0.51323%0.226SC..THydrogen-bonded Turntrans-104.9-38.6174.9-170.554.3000112.3Q81 D82 Y83 R121Q81-N85 WeakPolarHBondContact O-CB 3.46Å; D82-N85 PolarHBondContact O-N 3.46Å; Y83-N85 PolarHBondContact O-N 3.49Å; N85-R121 PolarHBondContact OD1-NH2 2.97Å
86S92.3Very high94.1Very high34 Ų3444.6 Ų44.624%0.23824%0.236CC..  trans-114.1119.8176.4173.60000109.3D82 F88 W89 T90D82-S86 PolarHBondContact O-N 3.28Å; S86-F88 PolarHBondContact O-N 2.85Å; S86-W89 PolarHBondContact O-N 3.22Å; S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 PolarHBondContact O-N 3.15Å; S86-T90 PolarHBondContact O-OG1 3.43Å
87D91.3Very high94.1Very high106 Ų10643.2 Ų43.257%0.56723%0.226SC*.Hα-helixtrans-57.7-37.5177.8-64.3-34.3000111.1H4 E91H4-D87 IonicContact NE2-OD2 3.76Å; D87-E91 WeakPolarHBondContact O-CB 3.32Å; D87-E91 PolarHBondContact O-N 2.61Å
88F90.9Very high93.9Very high59 Ų5944 Ų4426%0.25923%0.234SC..Hα-helixtrans-59.7-53.1176.1170.8-100.4000112.2L5 I8 S86 E91 L92L5-F88 HydrophobicContact CD2-CD2 3.37Å; L5-F88 HydrophobicContact CD2-CE2 3.28Å; L5-F88 HydrophobicContact CD2-CG 4.36Å; L5-F88 HydrophobicContact CD2-CZ 4.19Å; I8-F88 HydrophobicContact CD1-CD2 3.28Å; I8-F88 HydrophobicContact CD1-CE2 3.53Å; I8-F88 HydrophobicContact CD1-CG 4.2Å; S86-F88 PolarHBondContact O-N 2.85Å; F88-E91 PolarHBondContact O-N 3Å; F88-L92 HydrophobicContact CE1-CD2 4.12Å; F88-L92 HydrophobicContact CZ-CD2 4.11Å; F88-L92 VanDerWaalsContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CB 3.34Å; F88-L92 PolarHBondContact O-N 3.39Å
89W92.8Very high93.8Very high89 Ų8952.6 Ų52.634%0.33727%0.266SS..Hα-helixtrans-69.7-36.1-177.4-76.3114.9000112.2A78 D82 S86 L92 L93A78-W89 HydrophobicContact CB-CD2 4.13Å; A78-W89 HydrophobicContact CB-CE3 3.71Å; A78-W89 HydrophobicContact CB-CZ3 4Å; D82-W89 HydrophobicContact CB-CB 3.65Å; D82-W89 VanDerWaalsContact CB-CD1 3.48Å; D82-W89 HydrophobicContact CB-CD2 4.46Å; D82-W89 HydrophobicContact CB-CG 3.62Å; S86-W89 PolarHBondContact O-N 3.22Å; W89-L92 HydrophobicContact CE3-CD2 3.89Å; W89-L92 HydrophobicContact CZ3-CD2 3.82Å; W89-L92 PolarHBondContact O-N 3.41Å; W89-L93 WeakPolarHBondContact O-CB 3.48Å; W89-L93 WeakPolarHBondContact O-CG 3.18Å; W89-L93 PolarHBondContact O-N 2.96Å
90T93.8Very high93.8Very high24 Ų2454.7 Ų54.715%0.14728%0.277CS..Hα-helixtrans-61.5-51.4175.6-52.90000110.2Y83 G84 S86 L92 L93 D94Y83-T90 HydrophobicContact CD2-CG2 4.18Å; Y83-T90 HydrophobicContact CE2-CG2 3.71Å; G84-T90 PolarHBondContact N-OG1 2.88Å; S86-T90 WeakPolarHBondContact O-CB 3.42Å; S86-T90 PolarHBondContact O-N 3.15Å; S86-T90 PolarHBondContact O-OG1 3.43Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 PolarHBondContact O-N 3.31Å; T90-L93 PolarHBondContact O-N 3.31Å; T90-D94 WeakPolarHBondContact O-CB 3.22Å; T90-D94 PolarHBondContact O-N 3.27Å
91E93.3Very high93.7Very high23 Ų2358.1 Ų58.111%0.10729%0.291CS..Hα-helixtrans-63.2-39178.6-163.1-161.2144.700111.8G2 H4 L5 D87 F88 L95G2-E91 VanDerWaalsContact C-CD 3.45Å; G2-E91 WeakPolarHBondContact CA-OE1 3.35Å; G2-E91 WeakPolarHBondContact CA-OE2 3.25Å; G2-E91 PolarHBondContact N-OE1 3.12Å; H4-E91 PolarHBondContact N-OE2 3.12Å; L5-E91 VanDerWaalsContact CB-OE1 3.22Å; L5-E91 WeakPolarHBondContact CB-OE1 3.24Å; L5-E91 HydrophobicContact CD1-CB 3.95Å; L5-E91 VanDerWaalsContact CD1-CD 3.48Å; L5-E91 HydrophobicContact CD1-CG 3.64Å; L5-E91 VanDerWaalsContact CD1-OE1 3.23Å; L5-E91 WeakPolarHBondContact CD1-OE1 3.24Å; L5-E91 HydrophobicContact CG-CB 4.03Å; L5-E91 HydrophobicContact CG-CG 3.9Å; L5-E91 VanDerWaalsContact CG-OE1 3.24Å; L5-E91 WeakPolarHBondContact CG-OE1 3.35Å; L5-E91 PolarHBondContact N-OE2 2.97Å; L5-E91 VanDerWaalsContact N-OE2 3.15Å; D87-E91 WeakPolarHBondContact O-CB 3.32Å; D87-E91 PolarHBondContact O-N 2.61Å; F88-E91 PolarHBondContact O-N 3Å; E91-L95 VanDerWaalsContact O-CB 3.24Å; E91-L95 WeakPolarHBondContact O-CB 3.26Å; E91-L95 PolarHBondContact O-N 3.16Å
92L93.5Very high93.7Very high44 Ų4452.6 Ų52.623%0.2327%0.266CS..Hα-helixtrans-65.3-47.5179.2-177.960.3000111.3L5 F88 W89 T90 L95 L96L5-L92 HydrophobicContact CD1-CB 4.33Å; L5-L92 HydrophobicContact CD1-CD1 4.48Å; L5-L92 HydrophobicContact CD2-CB 4.05Å; L5-L92 HydrophobicContact CD2-CD1 4.37Å; F88-L92 HydrophobicContact CE1-CD2 4.12Å; F88-L92 HydrophobicContact CZ-CD2 4.11Å; F88-L92 VanDerWaalsContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CB 3.34Å; F88-L92 PolarHBondContact O-N 3.39Å; W89-L92 HydrophobicContact CE3-CD2 3.89Å; W89-L92 HydrophobicContact CZ3-CD2 3.82Å; W89-L92 PolarHBondContact O-N 3.41Å; T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 PolarHBondContact O-N 3.31Å; L92-L95 PolarHBondContact O-N 3.31Å; L92-L96 HydrophobicContact CD1-CD1 4.27Å; L92-L96 HydrophobicContact CD1-CG 4.35Å; L92-L96 HydrophobicContact CG-CD1 4.08Å; L92-L96 WeakPolarHBondContact O-CB 3.24Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 2.92Å
93L95Very high93.8Very high3 Ų350.8 Ų50.82%0.01626%0.256CS..Hα-helixtrans-64.6-43.5178.3-75.7169000111.1M75 A78 V79 Y83 W89 T90 L95 L96 Q97M75-L93 HydrophobicContact CE-CD2 3.64Å; M75-L93 HydrophobicContact CG-CD2 4.27Å; A78-L93 HydrophobicContact CB-CD1 4.22Å; V79-L93 HydrophobicContact CG2-CD1 3.91Å; V79-L93 HydrophobicContact CG2-CD2 4.08Å; Y83-L93 HydrophobicContact CD2-CB 4.02Å; Y83-L93 HydrophobicContact CD2-CD1 3.7Å; Y83-L93 HydrophobicContact CE2-CB 4.23Å; Y83-L93 HydrophobicContact CG-CD1 4.38Å; W89-L93 WeakPolarHBondContact O-CB 3.48Å; W89-L93 WeakPolarHBondContact O-CG 3.18Å; W89-L93 PolarHBondContact O-N 2.96Å; T90-L93 PolarHBondContact O-N 3.31Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 2.94Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-Q97 WeakPolarHBondContact O-CB 3.28Å; L93-Q97 VanDerWaalsContact O-CG 3.25Å; L93-Q97 WeakPolarHBondContact O-CG 3.14Å; L93-Q97 PolarHBondContact O-N 2.85Å
94D95.1Very high93.8Very high44 Ų4450.3 Ų50.324%0.23525%0.254CS..Hα-helixtrans-61.6-41.3176.1-77.4-16.4000112.4Y83 T90 S98 S156Y83-D94 PolarHBondContact OH-OD1 2.89Å; Y83-D94 VanDerWaalsContact OH-OD1 3.1Å; T90-D94 WeakPolarHBondContact O-CB 3.22Å; T90-D94 PolarHBondContact O-N 3.27Å; D94-S98 VanDerWaalsContact O-CB 3.28Å; D94-S98 WeakPolarHBondContact O-CB 3.36Å; D94-S98 PolarHBondContact O-N 3.44Å; D94-S98 PolarHBondContact O-OG 3.03Å; D94-S156 VanDerWaalsContact OD1-CB 3.29Å; D94-S156 WeakPolarHBondContact OD1-CB 3.17Å; D94-S156 PolarHBondContact OD1-OG 3.47Å
95L93.6Very high94Very high46 Ų4649.2 Ų49.224%0.24124%0.242CC..Hα-helixtrans-66.1-45.3176.3-174.870000111.2M1 L5 E91 L92 L93 S98 R99M1-L95 HydrophobicContact CG-CD1 4.21Å; L5-L95 HydrophobicContact CD1-CB 4.45Å; L5-L95 HydrophobicContact CD1-CD2 4Å; E91-L95 VanDerWaalsContact O-CB 3.24Å; E91-L95 WeakPolarHBondContact O-CB 3.26Å; E91-L95 PolarHBondContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 3.31Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 2.94Å; L95-S98 PolarHBondContact O-OG 3.4Å; L95-S98 VanDerWaalsContact O-OG 3.07Å; L95-R99 HydrophobicContact CD1-CG 3.98Å; L95-R99 HydrophobicContact CG-CG 4.22Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 WeakPolarHBondContact O-CG 3.4Å; L95-R99 PolarHBondContact O-N 3.23Å
96L94.6Very high94.1Very high51 Ų5148.3 Ų48.327%0.26724%0.235SC..Hα-helixtrans-61.5-49.1177.9-74.8171.8000111M75 L92 L93 S98 R99 L100M75-L96 HydrophobicContact CE-CD1 4.33Å; L92-L96 HydrophobicContact CD1-CD1 4.27Å; L92-L96 HydrophobicContact CD1-CG 4.35Å; L92-L96 HydrophobicContact CG-CD1 4.08Å; L92-L96 WeakPolarHBondContact O-CB 3.24Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 2.92Å; L93-L96 PolarHBondContact O-N 3.49Å; L96-S98 PolarHBondContact O-N 3.41Å; L96-R99 PolarHBondContact O-N 2.92Å; L96-L100 HydrophobicContact CD2-CD1 4.05Å; L96-L100 WeakPolarHBondContact O-CB 3.43Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.27Å
97Q95.9Very high94.2Very high0 Ų049.6 Ų49.60%024%0.239CC..Hα-helixtrans-61.3-46.2-179.6-73.9174.6-12.600112.4L93 K101 C102 A104 Y113 S156 C191L93-Q97 WeakPolarHBondContact O-CB 3.28Å; L93-Q97 VanDerWaalsContact O-CG 3.25Å; L93-Q97 WeakPolarHBondContact O-CG 3.14Å; L93-Q97 PolarHBondContact O-N 2.85Å; Q97-K101 VanDerWaalsContact O-CA 3.29Å; Q97-K101 WeakPolarHBondContact O-CA 3.42Å; Q97-K101 PolarHBondContact O-N 3.36Å; Q97-C102 WeakPolarHBondContact CA-O 3.29Å; Q97-C102 WeakPolarHBondContact CB-O 3.25Å; Q97-C102 WeakPolarHBondContact CG-O 3.41Å; Q97-C102 PolarHBondContact O-N 3.43Å; Q97-A104 VanDerWaalsContact NE2-N 3.14Å; Q97-Y113 PolarHBondContact NE2-OH 3.44Å; Q97-Y113 PolarHBondContact OE1-OH 3.16Å; Q97-S156 WeakPolarHBondContact CB-O 3.4Å; Q97-S156 PolarHBondContact OE1-OG 3.38Å; Q97-C191 VanDerWaalsContact CG-SG 3.53Å
98S93Very high94.2Very high69 Ų6948.8 Ų48.848%0.48324%0.235SC..Hα-helixtrans-67.8-38.5177.858.40000113.2D94 L95 L96D94-S98 VanDerWaalsContact O-CB 3.28Å; D94-S98 WeakPolarHBondContact O-CB 3.36Å; D94-S98 PolarHBondContact O-N 3.44Å; D94-S98 PolarHBondContact O-OG 3.03Å; L95-S98 PolarHBondContact O-OG 3.4Å; L95-S98 VanDerWaalsContact O-OG 3.07Å; L96-S98 PolarHBondContact O-N 3.41Å
99R93.4Very high94.2Very high181 Ų18149.2 Ų49.268%0.68324%0.238SC*.Hα-helixtrans-77.1-38.9-178.5-71.6-66.8-172.21781.4113.2L95 L96L95-R99 HydrophobicContact CD1-CG 3.98Å; L95-R99 HydrophobicContact CG-CG 4.22Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 WeakPolarHBondContact O-CG 3.4Å; L95-R99 PolarHBondContact O-N 3.23Å; L96-R99 PolarHBondContact O-N 2.92Å
100L94.7Very high94.2Very high43 Ų4345.2 Ų45.223%0.22522%0.223CC..Hα-helixtrans-94.9-1.6-176.5-60.2178000112.9L96 C102 V194 I195 L198L96-L100 HydrophobicContact CD2-CD1 4.05Å; L96-L100 WeakPolarHBondContact O-CB 3.43Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.27Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 HydrophobicContact CB-CB 4.43Å; L100-C102 PolarHBondContact O-N 2.71Å; L100-V194 HydrophobicContact CB-CG1 4.07Å; L100-V194 HydrophobicContact CD2-CG1 4.32Å; L100-I195 HydrophobicContact CD1-CD1 3.99Å; L100-I195 HydrophobicContact CD1-CG1 3.51Å; L100-L198 HydrophobicContact CD2-CD1 3.46Å; L100-L198 VanDerWaalsContact CD2-CD1 3.46Å
101K94.6Very high94.2Very high115 Ų11548.2 Ų48.250%0.524%0.239SC..THydrogen-bonded Turntrans49.649.9-176-60.3-177.7178.2-179.70111.6Q97 N187Q97-K101 VanDerWaalsContact O-CA 3.29Å; Q97-K101 WeakPolarHBondContact O-CA 3.42Å; Q97-K101 PolarHBondContact O-N 3.36Å; K101-N187 WeakPolarHBondContact O-CB 3.47Å
102C96.5Very high94.3Very high0 Ų048.2 Ų48.20%024%0.239CC..  trans-125.2167.3-178.261.50000110.3Q97 L100 H189 C191 V194Q97-C102 WeakPolarHBondContact CA-O 3.29Å; Q97-C102 WeakPolarHBondContact CB-O 3.25Å; Q97-C102 WeakPolarHBondContact CG-O 3.41Å; Q97-C102 PolarHBondContact O-N 3.43Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 HydrophobicContact CB-CB 4.43Å; L100-C102 PolarHBondContact O-N 2.71Å; C102-H189 CarbonylContact C-O 3.48Å; C102-H189 WeakPolarHBondContact CA-O 3.02Å; C102-H189 VanDerWaalsContact CB-O 3.23Å; C102-H189 WeakPolarHBondContact CB-O 3.35Å; C102-C191 HydrophobicContact CB-CB 3.89Å; C102-C191 WeakPolarHBondContact CB-SG 3.4Å; C102-C191 WeakPolarHBondContact SG-CA 3.43Å; C102-C191 WeakPolarHBondContact SG-CB 3.02Å; C102-C191 CovalentContact SG-SG 2.03Å; C102-C191 PolarHBondContact SG-SG 2.03Å; C102-V194 HydrophobicContact CB-CG2 4.24Å
103C96.3Very high94.4Very high4 Ų446.1 Ų46.13%0.02723%0.228CC..  trans-138.4143.9173.3-1750000110.8C157 L186 N187 H189C103-C157 WeakPolarHBondContact CA-SG 3.46Å; C103-C157 HydrophobicContact CB-CB 3.67Å; C103-C157 WeakPolarHBondContact CB-SG 3.49Å; C103-C157 WeakPolarHBondContact SG-CB 3.34Å; C103-C157 CovalentContact SG-SG 2.04Å; C103-C157 PolarHBondContact SG-SG 2.97Å; C103-L186 HydrophobicContact CB-CD1 4.42Å; C103-N187 HydrophobicContact CB-CB 4.37Å; C103-H189 PolarHBondContact N-O 2.93Å
104A94.3Very high94.3Very high0 Ų049.3 Ų49.30%025%0.245CC..SBendtrans52.4-136.1-178.200000112.8Q97 Q109 L112 Y113 C191Q97-A104 VanDerWaalsContact NE2-N 3.14Å; A104-Q109 WeakPolarHBondContact CB-O 3.3Å; A104-L112 HydrophobicContact CB-CB 4.39Å; A104-Y113 HydrophobicContact CB-CD2 4.34Å; A104-Y113 HydrophobicContact CB-CE2 4.13Å; A104-C191 WeakPolarHBondContact O-CB 3.32Å; A104-C191 PolarHBondContact O-SG 3.26Å
105V95.9Very high94.3Very high2 Ų256.2 Ų56.21%0.01227%0.268CS..SBendtrans-109.5-63.1-172.1-175.40000111.2V72 M75 V79 L112 G190 C191 A192V72-V105 HydrophobicContact CG1-CG1 3.72Å; M75-V105 HydrophobicContact CB-CG1 4.3Å; M75-V105 HydrophobicContact CB-CG2 4.25Å; M75-V105 HydrophobicContact CG-CG2 4.05Å; V79-V105 HydrophobicContact CG2-CG2 4.11Å; V105-L112 HydrophobicContact CB-CD2 4.19Å; V105-L112 HydrophobicContact CG2-CD2 3.46Å; V105-L112 VanDerWaalsContact CG2-CD2 3.46Å; V105-G190 CarbonylContact O-C 3.5Å; V105-G190 WeakPolarHBondContact O-CA 2.92Å; V105-C191 PolarHBondContact O-N 3.36Å; V105-A192 HydrophobicContact CG1-CB 3.96Å; V105-A192 VanDerWaalsContact O-CB 3.3Å; V105-A192 WeakPolarHBondContact O-CB 3.38Å; V105-A192 PolarHBondContact O-N 3.45Å
106E95.3Very high94.3Very high77 Ų7754 Ų5436%0.3626%0.257SS..SBendtrans-107.2166178.5-42-179.3145.500111.5N108 Q109 G190E106-N108 PolarHBondContact O-N 3.32Å; E106-Q109 HydrophobicContact CB-CG 4.2Å; E106-Q109 VanDerWaalsContact CB-OE1 3.25Å; E106-Q109 WeakPolarHBondContact O-CB 3.28Å; E106-Q109 PolarHBondContact O-N 3.43Å; E106-Q109 VanDerWaalsContact OE2-CD 3.29Å; E106-Q109 PolarHBondContact OE2-NE2 2.89Å; E106-Q109 PolarHBondContact OE2-OE1 3.43Å; E106-G190 WeakPolarHBondContact O-CA 3.43Å
107D94.2Very high94.3Very high62 Ų6254.3 Ų54.333%0.33226%0.26SS..THydrogen-bonded Turntrans-57.2134.8-176.7-62.9-31000111.8Q109 H189 G190 N193D107-Q109 PolarHBondContact O-N 3.11Å; D107-Q109 VanDerWaalsContact O-N 3.16Å; D107-H189 WeakPolarHBondContact OD1-CA 3.08Å; D107-H189 IonicContact OD1-ND1 3.83Å; D107-G190 PolarHBondContact OD1-N 3.07Å; D107-N193 PolarHBondContact OD1-ND2 2.87Å; D107-N193 PolarHBondContact OD2-ND2 3.37Å
108N90.9Very high94.2Very high88 Ų8856.7 Ų56.747%0.47127%0.269SS..THydrogen-bonded Turntrans57.718.9-178.9-55-67.9000115.9E106 S180 P188E106-N108 PolarHBondContact O-N 3.32Å; N108-S180 WeakPolarHBondContact OD1-CB 3.31Å; N108-P188 PolarHBondContact N-O 3.45Å
109Q91.1Very high94.2Very high69 Ų6955.3 Ų55.332%0.32225%0.254SS..  trans-10238.3178-67.2-174.6-1200113.5A104 E106 D107 D111 L112A104-Q109 WeakPolarHBondContact CB-O 3.3Å; E106-Q109 HydrophobicContact CB-CG 4.2Å; E106-Q109 VanDerWaalsContact CB-OE1 3.25Å; E106-Q109 WeakPolarHBondContact O-CB 3.28Å; E106-Q109 PolarHBondContact O-N 3.43Å; E106-Q109 VanDerWaalsContact OE2-CD 3.29Å; E106-Q109 PolarHBondContact OE2-NE2 2.89Å; E106-Q109 PolarHBondContact OE2-OE1 3.43Å; D107-Q109 PolarHBondContact O-N 3.11Å; D107-Q109 VanDerWaalsContact O-N 3.16Å; Q109-D111 VanDerWaalsContact CA-OD1 3.25Å; Q109-D111 WeakPolarHBondContact CA-OD1 3.29Å; Q109-D111 PolarHBondContact O-N 3.38Å; Q109-L112 VanDerWaalsContact O-CB 3.3Å; Q109-L112 WeakPolarHBondContact O-CB 3.33Å; Q109-L112 PolarHBondContact O-N 3.07Å; Q109-L112 VanDerWaalsContact O-N 3.15Å
110A93.5Very high94.1Very high4 Ų449.3 Ų49.33%0.03324%0.24CC..G310 helixtrans-63.3-22.2176.600000112.3L112 Y113 V153 L178 L186A110-L112 PolarHBondContact O-N 2.92Å; A110-Y113 PolarHBondContact O-N 2.92Å; A110-V153 HydrophobicContact CB-CG1 4.04Å; A110-L178 HydrophobicContact CB-CB 4.46Å; A110-L178 HydrophobicContact CB-CD2 3.85Å; A110-L186 HydrophobicContact CB-CD1 4.49Å; A110-L186 HydrophobicContact CB-CD2 3.75Å
111D94.3Very high93.9Very high88 Ų8852.1 Ų52.147%0.47125%0.247SC..G310 helixtrans-62.3-16.5174.666.6-44.1000114Q109 Y113 L114 L178Q109-D111 VanDerWaalsContact CA-OD1 3.25Å; Q109-D111 WeakPolarHBondContact CA-OD1 3.29Å; Q109-D111 PolarHBondContact O-N 3.38Å; D111-Y113 PolarHBondContact O-N 3.44Å; D111-Y113 VanDerWaalsContact O-N 3.14Å; D111-L114 HydrophobicContact CB-CD1 4.43Å; D111-L114 VanDerWaalsContact O-CB 3.25Å; D111-L114 WeakPolarHBondContact O-CB 3.49Å; D111-L114 PolarHBondContact O-N 3.13Å; D111-L178 HydrophobicContact CB-CB 4.38Å; D111-L178 HydrophobicContact CB-CD1 4.04Å
112L94.8Very high93.6Very high23 Ų2348 Ų4812%0.1223%0.229CC..G310 helixtrans-54.4-31.8170.9-166.867.5000112.3V79 Q80 A104 V105 Q109 A110 L114 R115V79-L112 HydrophobicContact CB-CD2 4.05Å; V79-L112 HydrophobicContact CG1-CB 4.48Å; V79-L112 HydrophobicContact CG1-CD2 3.89Å; V79-L112 HydrophobicContact CG1-CG 4.04Å; Q80-L112 HydrophobicContact CG-CD1 4.13Å; Q80-L112 HydrophobicContact CG-CG 4.26Å; A104-L112 HydrophobicContact CB-CB 4.39Å; V105-L112 HydrophobicContact CB-CD2 4.19Å; V105-L112 HydrophobicContact CG2-CD2 3.46Å; V105-L112 VanDerWaalsContact CG2-CD2 3.46Å; Q109-L112 VanDerWaalsContact O-CB 3.3Å; Q109-L112 WeakPolarHBondContact O-CB 3.33Å; Q109-L112 PolarHBondContact O-N 3.07Å; Q109-L112 VanDerWaalsContact O-N 3.15Å; A110-L112 PolarHBondContact O-N 2.92Å; L112-L114 VanDerWaalsContact C-N 3.25Å; L112-L114 PolarHBondContact O-N 2.97Å; L112-R115 WeakPolarHBondContact O-CB 3.28Å; L112-R115 PolarHBondContact O-N 3.32Å; L112-R115 VanDerWaalsContact O-N 3.11Å
113Y95.1Very high93Very high0 Ų051.4 Ų51.40%025%0.247CC..G310 helixtrans-63.5-29175.3-84.3-75.2000113.2V79 Y83 Q97 A104 A110 D111 R115 S116 W118 Y119 N152 V153 P154V79-Y113 HydrophobicContact CG1-CD1 4.03Å; V79-Y113 HydrophobicContact CG1-CD2 4.37Å; V79-Y113 HydrophobicContact CG1-CE1 3.88Å; V79-Y113 HydrophobicContact CG1-CE2 4.22Å; V79-Y113 HydrophobicContact CG1-CG 4.27Å; Y83-Y113 HydrophobicContact CD1-CD1 4.28Å; Y83-Y113 AromaticContact CD1-CE1 3.7Å; Y83-Y113 HydrophobicContact CD1-CE1 3.7Å; Y83-Y113 HydrophobicContact CD2-CE1 4.25Å; Y83-Y113 AromaticContact CE1-CE1 3.91Å; Y83-Y113 HydrophobicContact CE1-CE1 3.91Å; Y83-Y113 HydrophobicContact CE2-CE1 4.42Å; Y83-Y113 AromaticContact CG-CE1 3.91Å; Y83-Y113 HydrophobicContact CG-CE1 3.91Å; Q97-Y113 PolarHBondContact NE2-OH 3.44Å; Q97-Y113 PolarHBondContact OE1-OH 3.16Å; A104-Y113 HydrophobicContact CB-CD2 4.34Å; A104-Y113 HydrophobicContact CB-CE2 4.13Å; A110-Y113 PolarHBondContact O-N 2.92Å; D111-Y113 PolarHBondContact O-N 3.44Å; D111-Y113 VanDerWaalsContact O-N 3.14Å; Y113-R115 PolarHBondContact O-N 3.45Å; Y113-S116 VanDerWaalsContact O-CB 3.25Å; Y113-S116 WeakPolarHBondContact O-CB 3.26Å; Y113-S116 PolarHBondContact O-N 3.05Å; Y113-S116 PolarHBondContact O-OG 3.42Å; Y113-W118 HydrophobicContact CD1-CE3 4.27Å; Y113-W118 HydrophobicContact CD1-CZ3 4.33Å; Y113-Y119 WeakPolarHBondContact O-CB 3.36Å; Y113-N152 VanDerWaalsContact CB-O 3.25Å; Y113-N152 WeakPolarHBondContact CB-O 3.34Å; Y113-V153 HydrophobicContact CD2-CG1 4.2Å; Y113-P154 HydrophobicContact CD1-CG 4.46Å; Y113-P154 HydrophobicContact CE1-CG 3.77Å; Y113-P154 HydrophobicContact CE2-CG 3.97Å; Y113-P154 VanDerWaalsContact CZ-CD 3.5Å; Y113-P154 VanDerWaalsContact CZ-CG 3.49Å
114L93.9Very high92.2Very high69 Ų6956.9 Ų56.936%0.36127%0.272SS..G310 helixtrans-64-23.5175.7-59.6-178.6000112.4D111 L112 S116 Y119 N152 L178D111-L114 HydrophobicContact CB-CD1 4.43Å; D111-L114 VanDerWaalsContact O-CB 3.25Å; D111-L114 WeakPolarHBondContact O-CB 3.49Å; D111-L114 PolarHBondContact O-N 3.13Å; L112-L114 VanDerWaalsContact C-N 3.25Å; L112-L114 PolarHBondContact O-N 2.97Å; L114-S116 VanDerWaalsContact C-N 3.34Å; L114-Y119 HydrophobicContact CB-CD1 4.35Å; L114-Y119 HydrophobicContact CB-CE1 4.3Å; L114-Y119 HydrophobicContact CD2-CD1 4.18Å; L114-Y119 HydrophobicContact CD2-CD2 4.03Å; L114-Y119 HydrophobicContact CD2-CE1 3.66Å; L114-Y119 HydrophobicContact CD2-CE2 3.53Å; L114-Y119 HydrophobicContact CD2-CG 4.33Å; L114-Y119 VanDerWaalsContact O-CD1 3.26Å; L114-Y119 WeakPolarHBondContact O-CD1 3.38Å; L114-N152 HydrophobicContact CD2-CB 4.24Å; L114-L178 HydrophobicContact CD1-CD1 3.37Å; L114-L178 HydrophobicContact CD2-CD1 3.94Å; L114-L178 HydrophobicContact CG-CD1 3.62Å
115R94.2Very high91Very high189 Ų18963.2 Ų63.271%0.71330%0.302SS*.G310 helixtrans-87.7-3.7174.6-166.7176.9-68-158.52.5112.8Q80 L112 Y113Q80-R115 HydrophobicContact CG-CB 4.42Å; Q80-R115 HydrophobicContact CG-CG 4.43Å; L112-R115 WeakPolarHBondContact O-CB 3.28Å; L112-R115 PolarHBondContact O-N 3.32Å; L112-R115 VanDerWaalsContact O-N 3.11Å; Y113-R115 PolarHBondContact O-N 3.45Å
116S94.7Very high89.4Confident1 Ų164 Ų641%0.00731%0.307CS..SBendtrans-75.9149-176.772.40000113.2V79 Q80 Y113 L114 W118 Y119 S120V79-S116 WeakPolarHBondContact O-CB 3.24Å; Q80-S116 CarbonylContact O-C 3.15Å; Q80-S116 WeakPolarHBondContact O-CA 3.25Å; Y113-S116 VanDerWaalsContact O-CB 3.25Å; Y113-S116 WeakPolarHBondContact O-CB 3.26Å; Y113-S116 PolarHBondContact O-N 3.05Å; Y113-S116 PolarHBondContact O-OG 3.42Å; L114-S116 VanDerWaalsContact C-N 3.34Å; S116-W118 PolarHBondContact O-N 2.75Å; S116-Y119 PolarHBondContact O-N 2.86Å; S116-Y119 WeakPolarHBondContact OG-CB 3.13Å; S116-Y119 PolarHBondContact OG-N 2.94Å; S116-S120 PolarHBondContact O-N 3.19Å
117V93.6Very high87.7Confident57 Ų5763.9 Ų63.935%0.34532%0.315SS..Hα-helixtrans-58.5-36.8170.7174.80000110.5Q80 S120 R121Q80-V117 PolarHBondContact O-N 3.4Å; V117-S120 PolarHBondContact O-N 2.82Å; V117-R121 WeakPolarHBondContact O-CG 3.27Å; V117-R121 PolarHBondContact O-N 2.95Å
118W94.1Very high86Confident50 Ų5067 Ų6719%0.18934%0.336CS..Hα-helixtrans-59.1-45.3174.4170.783.2000113Y83 Y113 S116 R121 Q122 V151Y83-W118 HydrophobicContact CD1-CB 3.81Å; Y83-W118 AromaticContact CD1-CD2 3.96Å; Y83-W118 HydrophobicContact CD1-CD2 3.96Å; Y83-W118 HydrophobicContact CD1-CE3 4.3Å; Y83-W118 AromaticContact CD1-CG 3.75Å; Y83-W118 HydrophobicContact CD1-CG 3.75Å; Y83-W118 HydrophobicContact CE1-CB 4.41Å; Y83-W118 AromaticContact CE1-CD2 3.73Å; Y83-W118 HydrophobicContact CE1-CD2 3.73Å; Y83-W118 AromaticContact CE1-CE2 3.96Å; Y83-W118 HydrophobicContact CE1-CE3 4.16Å; Y83-W118 AromaticContact CE1-CG 3.84Å; Y83-W118 HydrophobicContact CE1-CG 3.84Å; Y83-W118 WeakPolarHBondContact O-CB 3.41Å; Y113-W118 HydrophobicContact CD1-CE3 4.27Å; Y113-W118 HydrophobicContact CD1-CZ3 4.33Å; S116-W118 PolarHBondContact O-N 2.75Å; W118-R121 PolarHBondContact O-N 3.4Å; W118-Q122 VanDerWaalsContact CD2-NE2 3.26Å; W118-Q122 WeakPolarHBondContact O-CG 3.26Å; W118-Q122 PolarHBondContact O-N 3.39Å; W118-Q122 PolarHBondContact O-NE2 2.76Å; W118-V151 HydrophobicContact CH2-CG2 3.57Å; W118-V151 HydrophobicContact CZ2-CG2 3.77Å
119Y93Very high84.4Confident40 Ų4070 Ų7016%0.15735%0.345CS..Hα-helixtrans-66.3-44.6177-177.4-101.6000111.9Y113 L114 S116 R121 Q122 I123 V150 V151Y113-Y119 WeakPolarHBondContact O-CB 3.36Å; L114-Y119 HydrophobicContact CB-CD1 4.35Å; L114-Y119 HydrophobicContact CB-CE1 4.3Å; L114-Y119 HydrophobicContact CD2-CD1 4.18Å; L114-Y119 HydrophobicContact CD2-CD2 4.03Å; L114-Y119 HydrophobicContact CD2-CE1 3.66Å; L114-Y119 HydrophobicContact CD2-CE2 3.53Å; L114-Y119 HydrophobicContact CD2-CG 4.33Å; L114-Y119 VanDerWaalsContact O-CD1 3.26Å; L114-Y119 WeakPolarHBondContact O-CD1 3.38Å; S116-Y119 PolarHBondContact O-N 2.86Å; S116-Y119 WeakPolarHBondContact OG-CB 3.13Å; S116-Y119 PolarHBondContact OG-N 2.94Å; Y119-R121 VanDerWaalsContact C-N 3.31Å; Y119-R121 PolarHBondContact O-N 3.1Å; Y119-Q122 WeakPolarHBondContact O-CB 3.38Å; Y119-Q122 PolarHBondContact O-N 3.22Å; Y119-Q122 VanDerWaalsContact O-N 3.12Å; Y119-I123 HydrophobicContact CD1-CD1 3.89Å; Y119-I123 HydrophobicContact CE1-CD1 3.21Å; Y119-I123 HydrophobicContact CE1-CG1 4.13Å; Y119-I123 PolarHBondContact O-N 3.36Å; Y119-V150 HydrophobicContact CD2-CG1 4.27Å; Y119-V150 HydrophobicContact CE2-CG1 3.59Å; Y119-V151 WeakPolarHBondContact CD2-O 3.47Å
120S91.7Very high82.6Confident55 Ų5568 Ų6839%0.38534%0.343SS..Hα-helixtrans-56.5-43176.1175.70000112.1S116 V117 Q122 I123 H124S116-S120 PolarHBondContact O-N 3.19Å; V117-S120 PolarHBondContact O-N 2.82Å; S120-Q122 VanDerWaalsContact C-N 3.32Å; S120-Q122 PolarHBondContact O-N 2.96Å; S120-I123 PolarHBondContact O-N 3.32Å; S120-H124 PolarHBondContact O-CD2 2.91Å; S120-H124 PolarHBondContact O-N 3.46Å; S120-H124 VanDerWaalsContact O-N 3.07Å; S120-H124 PolarHBondContact OG-CD2 2.94Å
121R89.3Confident80.4Confident101 Ų10173.3 Ų73.338%0.38138%0.375SS..Hα-helixtrans-59.8-38.9176.7-73.3178.9-155178.57.5113.1G84 N85 V117 W118 Y119 H124 Q125G84-R121 PolarHBondContact O-NH1 2.91Å; N85-R121 PolarHBondContact OD1-NH2 2.97Å; V117-R121 WeakPolarHBondContact O-CG 3.27Å; V117-R121 PolarHBondContact O-N 2.95Å; W118-R121 PolarHBondContact O-N 3.4Å; Y119-R121 VanDerWaalsContact C-N 3.31Å; Y119-R121 PolarHBondContact O-N 3.1Å; R121-H124 PolarHBondContact O-N 2.92Å; R121-Q125 WeakPolarHBondContact O-CG 3.29Å; R121-Q125 PolarHBondContact O-N 2.57Å
122Q88.3Confident78.3Confident28 Ų2876.8 Ų76.813%0.13139%0.394CS..Hα-helixtrans-65.7-42.6179.1-67.7175.279.400112.2W118 Y119 S120 Q125 S126 V150W118-Q122 VanDerWaalsContact CD2-NE2 3.26Å; W118-Q122 WeakPolarHBondContact O-CG 3.26Å; W118-Q122 PolarHBondContact O-N 3.39Å; W118-Q122 PolarHBondContact O-NE2 2.76Å; Y119-Q122 WeakPolarHBondContact O-CB 3.38Å; Y119-Q122 PolarHBondContact O-N 3.22Å; Y119-Q122 VanDerWaalsContact O-N 3.12Å; S120-Q122 VanDerWaalsContact C-N 3.32Å; S120-Q122 PolarHBondContact O-N 2.96Å; Q122-Q125 PolarHBondContact O-N 2.9Å; Q122-S126 WeakPolarHBondContact O-CB 3.48Å; Q122-S126 PolarHBondContact O-N 2.86Å; Q122-S126 PolarHBondContact O-OG 2.87Å; Q122-V150 HydrophobicContact CB-CG1 4.3Å
123I85.2Confident76.2Confident73 Ų7378.8 Ų78.837%0.37441%0.41SS..Hα-helixtrans-63.6-44.5176.7-69.5180000110.5Y119 S120 Q125 S126 S127 V150Y119-I123 HydrophobicContact CD1-CD1 3.89Å; Y119-I123 HydrophobicContact CE1-CD1 3.21Å; Y119-I123 HydrophobicContact CE1-CG1 4.13Å; Y119-I123 PolarHBondContact O-N 3.36Å; S120-I123 PolarHBondContact O-N 3.32Å; I123-Q125 VanDerWaalsContact C-N 3.33Å; I123-Q125 PolarHBondContact O-N 3.22Å; I123-S126 PolarHBondContact O-N 3.28Å; I123-S126 VanDerWaalsContact O-N 3.15Å; I123-S127 PolarHBondContact O-N 3Å; I123-V150 HydrophobicContact CG1-CG1 3.92Å; I123-V150 HydrophobicContact CG1-CG2 4.39Å
124H79.3Confident74.3Confident119 Ų11984.6 Ų84.655%0.55144%0.44SS*.Hα-helixtrans-63.1-37.8178-78.3-66.2000112.7S120 R121 S126 S127 V128S120-H124 PolarHBondContact O-CD2 2.91Å; S120-H124 PolarHBondContact O-N 3.46Å; S120-H124 VanDerWaalsContact O-N 3.07Å; S120-H124 PolarHBondContact OG-CD2 2.94Å; R121-H124 PolarHBondContact O-N 2.92Å; H124-S126 VanDerWaalsContact C-N 3.32Å; H124-S127 PolarHBondContact O-OG 3.43Å; H124-V128 WeakPolarHBondContact O-CG2 3.2Å; H124-V128 PolarHBondContact O-N 3.39Å
125Q69.2Low72Confident133 Ų13393 Ų9362%0.62147%0.466SS*.Hα-helixtrans-67-36174.1-75.3178.3-12.500112R121 Q122 I123 V128 F129R121-Q125 WeakPolarHBondContact O-CG 3.29Å; R121-Q125 PolarHBondContact O-N 2.57Å; Q122-Q125 PolarHBondContact O-N 2.9Å; I123-Q125 VanDerWaalsContact C-N 3.33Å; I123-Q125 PolarHBondContact O-N 3.22Å; Q125-V128 PolarHBondContact O-N 3.06Å; Q125-F129 PolarHBondContact O-N 3.35Å
126S61.8Low69.6Low18 Ų1891.2 Ų91.213%0.12647%0.47CS..Hα-helixtrans-70.1-34.1179.2-56.90000112.6Q122 I123 H124 F129 G130 V150Q122-S126 WeakPolarHBondContact O-CB 3.48Å; Q122-S126 PolarHBondContact O-N 2.86Å; Q122-S126 PolarHBondContact O-OG 2.87Å; I123-S126 PolarHBondContact O-N 3.28Å; I123-S126 VanDerWaalsContact O-N 3.15Å; H124-S126 VanDerWaalsContact C-N 3.32Å; S126-F129 PolarHBondContact O-N 3.35Å; S126-G130 WeakPolarHBondContact O-CA 3.48Å; S126-G130 PolarHBondContact O-N 3.49Å; S126-V150 WeakPolarHBondContact OG-CG2 3.39Å
127S59.4Low67.2Low75 Ų7596.8 Ų96.852%0.52450%0.5SS..Hα-helixtrans-73.9-26.9177.261.90000113.6I123 H124 G130I123-S127 PolarHBondContact O-N 3Å; H124-S127 PolarHBondContact O-OG 3.43Å; S127-G130 PolarHBondContact O-N 2.73Å
128V58.5Low65Low126 Ų126100 Ų10076%0.76452%0.524SS*.Hα-helixtrans-72.9-29.2175.1174.90000112H124 Q125H124-V128 WeakPolarHBondContact O-CG2 3.2Å; H124-V128 PolarHBondContact O-N 3.39Å; Q125-V128 PolarHBondContact O-N 3.06Å
129F57.9Low62.5Low151 Ų151105.5 Ų105.566%0.66255%0.552SS**Hα-helixtrans-91.9-12.8176.2-152.5-98000113Q125 S126 T131Q125-F129 PolarHBondContact O-N 3.35Å; S126-F129 PolarHBondContact O-N 3.35Å; F129-T131 PolarHBondContact O-N 3.19Å
130G51.9Low60Low27 Ų27111.8 Ų111.828%0.27858%0.583SS.*  trans-91.421.9-163.800000117.4S126 S127 N132S126-G130 WeakPolarHBondContact O-CA 3.48Å; S126-G130 PolarHBondContact O-N 3.49Å; S127-G130 PolarHBondContact O-N 2.73Å; G130-N132 VanDerWaalsContact C-N 3.32Å; G130-N132 PolarHBondContact O-N 2.96Å
131T47.3Very low57.8Low117 Ų117116.7 Ų116.772%0.71860%0.599SS**SBendtrans-72.190.7165.552.60000109.1F129F129-T131 PolarHBondContact O-N 3.19Å
132N50.3Low55.4Low160 Ų160117.2 Ų117.286%0.85661%0.61SS**SBendtrans133.911.2149.5-62.6-18.9000119.3G130G130-N132 VanDerWaalsContact C-N 3.32Å; G130-N132 PolarHBondContact O-N 2.96Å
133S51.8Low53.2Low66 Ų66122.4 Ų122.446%0.46264%0.638SS.*  trans-146.2-0.7-179.560.30000120.6R135S133-R135 VanDerWaalsContact C-N 3.3Å; S133-R135 PolarHBondContact O-N 2.84Å
134I54Low50.9Low122 Ų122126.5 Ų126.563%0.62666%0.661SS**THydrogen-bonded Turntrans-88.160.2-172.1-44.7-177.3000112.9
135R47.4Very low49.2Very low244 Ų244128.2 Ų128.292%0.92167%0.674SS**THydrogen-bonded Turntrans-137.80.5158.1-76.3-163-178.3168.42.3114.6S133S133-R135 VanDerWaalsContact C-N 3.3Å; S133-R135 PolarHBondContact O-N 2.84Å
136L42.8Very low48.1Very low153 Ų153125.6 Ų125.680%0.80168%0.682SS**  trans-145.572.1-179.7-67.5172.3000111.2
137L45.4Very low47.5Very low118 Ų118128.3 Ų128.362%0.61869%0.694SS**  trans-139.458.1165.2-70.2177.7000110Q139 E140 I147L137-Q139 VanDerWaalsContact C-N 3.3Å; L137-E140 HydrophobicContact CD2-CB 4.32Å; L137-I147 HydrophobicContact CD1-CD1 4.1Å
138S45.5Very low47.4Very low123 Ų123128.2 Ų128.286%0.8669%0.692SS**SBendtrans-91.75.9157.855.70000112.1
139Q43.1Very low47.9Very low167 Ų167126.4 Ų126.478%0.7869%0.685SS**  trans-167.488.6-174.7-161.2156.8-16.300109.7L137L137-Q139 VanDerWaalsContact C-N 3.3Å
140E39.8Very low49.1Very low171 Ų171121.1 Ų121.180%0.79967%0.665SS**  trans-155125.5148.5-158.378.6132.400110.5L137L137-E140 HydrophobicContact CD2-CB 4.32Å
141H45Very low51Low158 Ų158121 Ų12173%0.73166%0.659SS**  trans-80.8135.1-179.7-177.647000109.1
142D40.1Very low53.1Low113 Ų113116.9 Ų116.960%0.60463%0.632SS**  trans43.7111.8155-73.5-33000120.3
143N41Very low55.2Low136 Ų136109.3 Ų109.373%0.72759%0.592SS**  140106.8121.9-67.9-45.9000113.6L145N143-L145 PolarHBondContact O-N 3.4Å
144N38Very low57.3Low159 Ų159106.3 Ų106.385%0.8557%0.571SS**SBendtrans64.840.4145.6-57.3-24.6000119.6
145L43Very low59.2Low156 Ų156102.5 Ų102.582%0.81755%0.553SS**  trans-145.783.3152.2-158.872.8000109N143 I147N143-L145 PolarHBondContact O-N 3.4Å; L145-I147 PolarHBondContact O-N 3.01Å
146G46Very low61.4Low78 Ų7891.3 Ų91.380%0.80451%0.512SS*.  trans-68.193.8-169.300000112.8P148G146-P148 WeakPolarHBondContact O-CD 3.4Å
147I49.7Very low64Low74 Ų7484 Ų8438%0.37947%0.474SS..  trans-66.4120.1159.9-57.4173000106L137 L145 S149L137-I147 HydrophobicContact CD1-CD1 4.1Å; L145-I147 PolarHBondContact O-N 3.01Å; I147-S149 PolarHBondContact O-N 2.77Å
148P57.7Low66.4Low73 Ų7378.6 Ų78.647%0.47445%0.446SS..  trans-61.4109.8177.924.4-31.4000108.4G146 V150G146-P148 WeakPolarHBondContact O-CD 3.4Å; P148-V150 PolarHBondContact O-N 3.32Å
149S67.6Low68.7Low88 Ų8875 Ų7562%0.61542%0.419SS*.PPolyproline II helixtrans-68.2122.2175.1-42.20000107.9I147 V151I147-S149 PolarHBondContact O-N 2.77Å; S149-V151 PolarHBondContact O-N 3.21Å
150V83.7Confident71Confident41 Ų4171.6 Ų71.625%0.24840%0.4CS..PPolyproline II helixtrans-60.6119.8172.2179.60000107.8Y119 Q122 I123 S126 P148Y119-V150 HydrophobicContact CD2-CG1 4.27Å; Y119-V150 HydrophobicContact CE2-CG1 3.59Å; Q122-V150 HydrophobicContact CB-CG1 4.3Å; I123-V150 HydrophobicContact CG1-CG1 3.92Å; I123-V150 HydrophobicContact CG1-CG2 4.39Å; S126-V150 WeakPolarHBondContact OG-CG2 3.39Å; P148-V150 PolarHBondContact O-N 3.32Å
151V91.4Very high73.3Confident24 Ų2465.2 Ų65.215%0.14537%0.374CS..PPolyproline II helixtrans-99.3136.4177.7-70.80000110.4W118 Y119 S149 Q174 I175W118-V151 HydrophobicContact CH2-CG2 3.57Å; W118-V151 HydrophobicContact CZ2-CG2 3.77Å; Y119-V151 WeakPolarHBondContact CD2-O 3.47Å; S149-V151 PolarHBondContact O-N 3.21Å; V151-Q174 HydrophobicContact CB-CB 4Å; V151-Q174 HydrophobicContact CG1-CB 3.71Å; V151-I175 HydrophobicContact CG1-CG2 4.25Å
152N92.7Very high75.3Confident30 Ų3063.9 Ų63.916%0.1637%0.372CS..SBendtrans-79.3-26.9-176.4-60.8-33.3000112.3Y113 L114 Q174 I175 G176 L178Y113-N152 VanDerWaalsContact CB-O 3.25Å; Y113-N152 WeakPolarHBondContact CB-O 3.34Å; L114-N152 HydrophobicContact CD2-CB 4.24Å; N152-Q174 WeakPolarHBondContact CB-O 3.41Å; N152-Q174 PolarHBondContact N-O 3.35Å; N152-I175 PolarHBondContact ND2-O 3.13Å; N152-G176 PolarHBondContact ND2-O 3.19Å; N152-L178 HydrophobicContact CB-CD1 4.33Å; N152-L178 HydrophobicContact CB-CD2 3.87Å; N152-L178 HydrophobicContact CB-CG 4.2Å
153V94.5Very high77.6Confident1 Ų167.3 Ų67.31%0.00638%0.384CS..SBendtrans-140.2154.6-178.3-670000111.6A110 Y113 C157 Q174 L178 L186A110-V153 HydrophobicContact CB-CG1 4.04Å; Y113-V153 HydrophobicContact CD2-CG1 4.2Å; V153-C157 HydrophobicContact CB-CB 4.17Å; V153-C157 HydrophobicContact CG2-CB 4.37Å; V153-Q174 PolarHBondContact O-NE2 2.92Å; V153-Q174 VanDerWaalsContact O-NE2 3.07Å; V153-L178 HydrophobicContact CG1-CD2 3.42Å; V153-L178 VanDerWaalsContact CG1-CD2 3.42Å; V153-L186 HydrophobicContact CG1-CD1 4.45Å; V153-L186 HydrophobicContact CG2-CD1 4.11Å
154P95.1Very high79.8Confident4 Ų464.9 Ų64.93%0.02637%0.374CS..  trans-69.7158.3172.333.2-38.6000112.1Y83 Y113 S156 C157Y83-P154 HydrophobicContact CE1-CB 4.15Å; Y83-P154 HydrophobicContact CE1-CG 4.42Å; Y83-P154 WeakPolarHBondContact OH-CB 3.23Å; Y113-P154 HydrophobicContact CD1-CG 4.46Å; Y113-P154 HydrophobicContact CE1-CG 3.77Å; Y113-P154 HydrophobicContact CE2-CG 3.97Å; Y113-P154 VanDerWaalsContact CZ-CD 3.5Å; Y113-P154 VanDerWaalsContact CZ-CG 3.49Å; P154-S156 PolarHBondContact O-N 2.89Å; P154-C157 WeakPolarHBondContact O-CB 3.38Å; P154-C157 PolarHBondContact O-N 2.85Å; P154-C157 VanDerWaalsContact O-N 3.14Å
155V93.6Very high82.1Confident41 Ų4165 Ų6525%0.24837%0.367CS..G310 helixtrans-63.9-26-177.768.80000112.6C157 C158 F167 R170V155-C157 PolarHBondContact O-N 3.26Å; V155-C158 VanDerWaalsContact O-CB 3.26Å; V155-C158 WeakPolarHBondContact O-CB 3.49Å; V155-C158 PolarHBondContact O-N 3.42Å; V155-F167 HydrophobicContact CG2-CD1 4.38Å; V155-F167 HydrophobicContact CG2-CD2 4.27Å; V155-F167 HydrophobicContact CG2-CE1 3.9Å; V155-F167 HydrophobicContact CG2-CE2 3.78Å; V155-F167 HydrophobicContact CG2-CZ 3.58Å; V155-F167 WeakPolarHBondContact O-CE1 3.37Å; V155-R170 HydrophobicContact CG2-CG 4.06Å
156S94.4Very high84.4Confident9 Ų964 Ų646%0.06336%0.358CS..G310 helixtrans-64.1-23.7176.147.90000113.7D94 Q97 P154 C158D94-S156 VanDerWaalsContact OD1-CB 3.29Å; D94-S156 WeakPolarHBondContact OD1-CB 3.17Å; D94-S156 PolarHBondContact OD1-OG 3.47Å; Q97-S156 WeakPolarHBondContact CB-O 3.4Å; Q97-S156 PolarHBondContact OE1-OG 3.38Å; P154-S156 PolarHBondContact O-N 2.89Å; S156-C158 VanDerWaalsContact C-N 3.29Å
157C96.1Very high86.4Confident0 Ų063.7 Ų63.70%034%0.335CS..G310 helixtrans-74.5-15.8171.7-85.60000113.8C103 V153 P154 V155 L186 N187C103-C157 WeakPolarHBondContact CA-SG 3.46Å; C103-C157 HydrophobicContact CB-CB 3.67Å; C103-C157 WeakPolarHBondContact CB-SG 3.49Å; C103-C157 WeakPolarHBondContact SG-CB 3.34Å; C103-C157 CovalentContact SG-SG 2.04Å; C103-C157 PolarHBondContact SG-SG 2.97Å; V153-C157 HydrophobicContact CB-CB 4.17Å; V153-C157 HydrophobicContact CG2-CB 4.37Å; P154-C157 WeakPolarHBondContact O-CB 3.38Å; P154-C157 PolarHBondContact O-N 2.85Å; P154-C157 VanDerWaalsContact O-N 3.14Å; V155-C157 PolarHBondContact O-N 3.26Å; C157-L186 HydrophobicContact CB-CD1 3.86Å; C157-N187 PolarHBondContact O-N 3.04Å; C157-N187 VanDerWaalsContact O-N 3.08Å; C157-N187 PolarHBondContact O-ND2 3.19Å
158C95.7Very high88.1Confident5 Ų564 Ų643%0.03434%0.343CS..BIsolated β-bridgetrans-79.5149.3-175-57.30000112.2V155 S156 Y160 F167 C173 Y185V155-C158 VanDerWaalsContact O-CB 3.26Å; V155-C158 WeakPolarHBondContact O-CB 3.49Å; V155-C158 PolarHBondContact O-N 3.42Å; S156-C158 VanDerWaalsContact C-N 3.29Å; C158-Y160 PolarHBondContact O-N 2.9Å; C158-F167 HydrophobicContact CB-CD1 3.75Å; C158-F167 HydrophobicContact CB-CE1 4.15Å; C158-C173 WeakPolarHBondContact CA-SG 3.4Å; C158-C173 HydrophobicContact CB-CB 3.74Å; C158-C173 WeakPolarHBondContact CB-SG 3.46Å; C158-C173 WeakPolarHBondContact SG-CB 3.42Å; C158-C173 CovalentContact SG-SG 2.03Å; C158-C173 PolarHBondContact SG-SG 2.88Å; C158-Y185 WeakPolarHBondContact CA-O 3.42Å
159V94.5Very high89.7Confident47 Ų4763.5 Ų63.529%0.28534%0.337SS..  trans-67.2116.7175.9178.20000109.2S168 Y185V159-S168 PolarHBondContact O-N 3.27Å; V159-Y185 PolarHBondContact N-O 3.21Å
160Y92.1Very high90.8Very high95 Ų9565.8 Ų65.837%0.37333%0.332SS..EExtended strand (participates in β ladder)trans-107.5124.8176.7-176.9-94.2000110.2C158 L162 K165 F167C158-Y160 PolarHBondContact O-N 2.9Å; Y160-L162 HydrophobicContact CE1-CD2 4.46Å; Y160-K165 VanDerWaalsContact OH-C 3.27Å; Y160-K165 VanDerWaalsContact OH-CA 3.25Å; Y160-K165 WeakPolarHBondContact OH-CA 3.34Å; Y160-K165 PolarHBondContact OH-O 2.78Å; Y160-K165 VanDerWaalsContact OH-O 3.13Å; Y160-F167 AromaticContact CD2-CD1 3.94Å; Y160-F167 HydrophobicContact CD2-CD1 3.94Å; Y160-F167 HydrophobicContact CD2-CD2 4.12Å; Y160-F167 AromaticContact CD2-CE1 3.83Å; Y160-F167 HydrophobicContact CD2-CE1 3.83Å; Y160-F167 HydrophobicContact CD2-CE2 4Å; Y160-F167 HydrophobicContact CD2-CG 4.09Å; Y160-F167 AromaticContact CD2-CZ 3.85Å; Y160-F167 HydrophobicContact CD2-CZ 3.85Å; Y160-F167 HydrophobicContact CE2-CE2 4.38Å; Y160-F167 HydrophobicContact CG-CE1 4.34Å
161S88.2Confident91Very high37 Ų3768.1 Ų68.126%0.25935%0.346SS..EExtended strand (participates in β ladder)trans-88123.4176.5-178.40000110.3E163 T164 K165 E166S161-E163 PolarHBondContact O-N 3.35Å; S161-E163 PolarHBondContact OG-N 2.79Å; S161-T164 WeakPolarHBondContact CB-OG1 3.49Å; S161-K165 WeakPolarHBondContact O-CA 3.32Å; S161-K165 PolarHBondContact O-N 3.15Å; S161-E166 PolarHBondContact N-O 3.4Å
162L86.2Confident91Very high131 Ų13168.3 Ų68.369%0.68635%0.351SS*.THydrogen-bonded Turntrans-68.9-24.5175.3-77.1163.3000112.2Y160Y160-L162 HydrophobicContact CE1-CD2 4.46Å
163E87.6Confident91.1Very high184 Ų18467 Ų6786%0.8634%0.344SS*.THydrogen-bonded Turntrans-74.5-48.7-178.3-66.1176.7175.200111.4S161S161-E163 PolarHBondContact O-N 3.35Å; S161-E163 PolarHBondContact OG-N 2.79Å
164T87.8Confident91.1Very high85 Ų8567.7 Ų67.752%0.52135%0.347SS..THydrogen-bonded Turntrans-87.2-12.8-17962.20000113.1S161 E166S161-T164 WeakPolarHBondContact CB-OG1 3.49Å; T164-E166 PolarHBondContact O-N 3.41Å; T164-E166 PolarHBondContact OG1-N 2.93Å
165K87.2Confident90.9Very high162 Ų16271.6 Ų71.670%0.70437%0.367SS*.THydrogen-bonded Turntrans55.530.9-170.1-61.4-179.8179.4174.60113.4Y160 S161Y160-K165 VanDerWaalsContact OH-C 3.27Å; Y160-K165 VanDerWaalsContact OH-CA 3.25Å; Y160-K165 WeakPolarHBondContact OH-CA 3.34Å; Y160-K165 PolarHBondContact OH-O 2.78Å; Y160-K165 VanDerWaalsContact OH-O 3.13Å; S161-K165 WeakPolarHBondContact O-CA 3.32Å; S161-K165 PolarHBondContact O-N 3.15Å
166E89.7Confident90.7Very high134 Ų13471 Ų7163%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-135.9156.6-177.6-69.6-178.1162.500111.2S161 T164S161-E166 PolarHBondContact N-O 3.4Å; T164-E166 PolarHBondContact O-N 3.41Å; T164-E166 PolarHBondContact OG1-N 2.93Å
167F88.1Confident90.6Very high73 Ų7372.8 Ų72.832%0.3238%0.381SS..EExtended strand (participates in β ladder)trans-74.4136.4168.8-66-81.2000109.2V155 C158 Y160 N169 R170V155-F167 HydrophobicContact CG2-CD1 4.38Å; V155-F167 HydrophobicContact CG2-CD2 4.27Å; V155-F167 HydrophobicContact CG2-CE1 3.9Å; V155-F167 HydrophobicContact CG2-CE2 3.78Å; V155-F167 HydrophobicContact CG2-CZ 3.58Å; V155-F167 WeakPolarHBondContact O-CE1 3.37Å; C158-F167 HydrophobicContact CB-CD1 3.75Å; C158-F167 HydrophobicContact CB-CE1 4.15Å; Y160-F167 AromaticContact CD2-CD1 3.94Å; Y160-F167 HydrophobicContact CD2-CD1 3.94Å; Y160-F167 HydrophobicContact CD2-CD2 4.12Å; Y160-F167 AromaticContact CD2-CE1 3.83Å; Y160-F167 HydrophobicContact CD2-CE1 3.83Å; Y160-F167 HydrophobicContact CD2-CE2 4Å; Y160-F167 HydrophobicContact CD2-CG 4.09Å; Y160-F167 AromaticContact CD2-CZ 3.85Å; Y160-F167 HydrophobicContact CD2-CZ 3.85Å; Y160-F167 HydrophobicContact CE2-CE2 4.38Å; Y160-F167 HydrophobicContact CG-CE1 4.34Å; F167-N169 PolarHBondContact O-N 2.86Å; F167-R170 HydrophobicContact CB-CB 4.17Å
168S85.9Confident90.4Very high79 Ų7974.1 Ų74.155%0.55239%0.388SS*.SBendtrans-57.6-48.4-177.1175.90000112.4V159 Y185V159-S168 PolarHBondContact O-N 3.27Å; S168-Y185 WeakPolarHBondContact OG-CD1 3.37Å; S168-Y185 WeakPolarHBondContact OG-CE1 3.18Å
169N90.9Very high90.3Very high64 Ų6480.1 Ų80.134%0.34241%0.414SS..  trans-155.498.4165.9-170.6-32.6000109.1F167 T171 A172 C173 Y185F167-N169 PolarHBondContact O-N 2.86Å; N169-T171 PolarHBondContact OD1-N 2.83Å; N169-A172 HydrophobicContact CB-CB 3.96Å; N169-A172 WeakPolarHBondContact OD1-CB 3.16Å; N169-A172 PolarHBondContact OD1-N 3.4Å; N169-C173 VanDerWaalsContact O-CB 3.31Å; N169-C173 WeakPolarHBondContact O-CB 3.17Å; N169-C173 PolarHBondContact O-N 2.78Å; N169-Y185 HydrophobicContact CB-CD1 3.6Å; N169-Y185 HydrophobicContact CB-CD2 4.09Å; N169-Y185 HydrophobicContact CB-CE1 3.56Å; N169-Y185 HydrophobicContact CB-CE2 4.06Å; N169-Y185 HydrophobicContact CB-CG 3.85Å
170R90.5Very high89.9Confident135 Ų13578.7 Ų78.751%0.50941%0.406SS..Hα-helixtrans-61.1-48.5-175.3179.7177176.8-160.64.4111.8V155 F167 C173 Q174V155-R170 HydrophobicContact CG2-CG 4.06Å; F167-R170 HydrophobicContact CB-CB 4.17Å; R170-C173 WeakPolarHBondContact O-CB 3.35Å; R170-C173 PolarHBondContact O-N 3.18Å; R170-Q174 HydrophobicContact CG-CG 4.47Å; R170-Q174 WeakPolarHBondContact O-CG 3.43Å; R170-Q174 PolarHBondContact O-N 3.43Å
171T89.6Confident89.8Confident90 Ų9080.4 Ų80.455%0.55242%0.421SS*.Hα-helixtrans-63.8-50.6-176.4-52.10000110.2N169 C173 Q174 I175N169-T171 PolarHBondContact OD1-N 2.83Å; T171-C173 VanDerWaalsContact C-N 3.28Å; T171-C173 PolarHBondContact O-N 3.49Å; T171-Q174 PolarHBondContact O-N 3.31Å; T171-Q174 VanDerWaalsContact O-N 3.09Å; T171-I175 HydrophobicContact CG2-CD1 3.66Å; T171-I175 HydrophobicContact CG2-CG1 4.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.41Å; T171-I175 PolarHBondContact O-N 3.46Å
172A91.4Very high90.1Very high29 Ų2984 Ų8424%0.2444%0.438CS..Hα-helixtrans-61.2-36.117900000112.9N169 G176 N183 Y185N169-A172 HydrophobicContact CB-CB 3.96Å; N169-A172 WeakPolarHBondContact OD1-CB 3.16Å; N169-A172 PolarHBondContact OD1-N 3.4Å; A172-G176 VanDerWaalsContact O-CA 3.27Å; A172-G176 WeakPolarHBondContact O-CA 3.34Å; A172-G176 PolarHBondContact O-N 2.91Å; A172-N183 PolarHBondContact O-ND2 3.35Å; A172-Y185 HydrophobicContact CB-CD2 3.51Å; A172-Y185 HydrophobicContact CB-CE2 3.62Å; A172-Y185 HydrophobicContact CB-CG 4.41Å
173C94.1Very high90.4Very high2 Ų278 Ų781%0.01441%0.406CS..Hα-helixtrans-60-51.6171.5168.60000111.9C158 N169 R170 T171 N183 Y185C158-C173 WeakPolarHBondContact CA-SG 3.4Å; C158-C173 HydrophobicContact CB-CB 3.74Å; C158-C173 WeakPolarHBondContact CB-SG 3.46Å; C158-C173 WeakPolarHBondContact SG-CB 3.42Å; C158-C173 CovalentContact SG-SG 2.03Å; C158-C173 PolarHBondContact SG-SG 2.88Å; N169-C173 VanDerWaalsContact O-CB 3.31Å; N169-C173 WeakPolarHBondContact O-CB 3.17Å; N169-C173 PolarHBondContact O-N 2.78Å; R170-C173 WeakPolarHBondContact O-CB 3.35Å; R170-C173 PolarHBondContact O-N 3.18Å; T171-C173 VanDerWaalsContact C-N 3.28Å; T171-C173 PolarHBondContact O-N 3.49Å; C173-N183 PolarHBondContact O-ND2 2.9Å; C173-Y185 PolarHBondContact SG-O 3.29Å
174Q93.8Very high90.6Very high16 Ų1673.8 Ų73.88%0.07539%0.394CS..Hα-helixtrans-78.2-32.2-168.2-68.2-165.4-89.500114.4V151 N152 V153 R170 T171V151-Q174 HydrophobicContact CB-CB 4Å; V151-Q174 HydrophobicContact CG1-CB 3.71Å; N152-Q174 WeakPolarHBondContact CB-O 3.41Å; N152-Q174 PolarHBondContact N-O 3.35Å; V153-Q174 PolarHBondContact O-NE2 2.92Å; V153-Q174 VanDerWaalsContact O-NE2 3.07Å; R170-Q174 HydrophobicContact CG-CG 4.47Å; R170-Q174 WeakPolarHBondContact O-CG 3.43Å; R170-Q174 PolarHBondContact O-N 3.43Å; T171-Q174 PolarHBondContact O-N 3.31Å; T171-Q174 VanDerWaalsContact O-N 3.09Å
175I90.7Very high90.9Very high86 Ų8673.2 Ų73.244%0.44138%0.383SS..Hα-helixtrans-104.6-12-178.976-174.8000113.4V151 N152 T171V151-I175 HydrophobicContact CG1-CG2 4.25Å; N152-I175 PolarHBondContact ND2-O 3.13Å; T171-I175 HydrophobicContact CG2-CD1 3.66Å; T171-I175 HydrophobicContact CG2-CG1 4.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.41Å; T171-I175 PolarHBondContact O-N 3.46Å
176G89.8Confident91.2Very high28 Ų2865.7 Ų65.729%0.28935%0.351SS..SBendtrans-74.9-166.1-176.600000114.2N152 A172N152-G176 PolarHBondContact ND2-O 3.19Å; A172-G176 VanDerWaalsContact O-CA 3.27Å; A172-G176 WeakPolarHBondContact O-CA 3.34Å; A172-G176 PolarHBondContact O-N 2.91Å
177S91.8Very high91.5Very high47 Ų4760.1 Ų60.133%0.32933%0.325SS..  trans-61139.4176-178.20000111.2K179 N183S177-K179 PolarHBondContact O-N 2.87Å; S177-K179 PolarHBondContact OG-N 3.46Å; S177-N183 WeakPolarHBondContact O-CB 3.4Å; S177-N183 PolarHBondContact O-ND2 2.9Å
178L93.2Very high91.8Very high27 Ų2759 Ų5914%0.14133%0.325CS..SBendtrans-79.7-6.8175.4-73.2159.3000113.4A110 D111 L114 N152 V153 L186A110-L178 HydrophobicContact CB-CB 4.46Å; A110-L178 HydrophobicContact CB-CD2 3.85Å; D111-L178 HydrophobicContact CB-CB 4.38Å; D111-L178 HydrophobicContact CB-CD1 4.04Å; L114-L178 HydrophobicContact CD1-CD1 3.37Å; L114-L178 HydrophobicContact CD2-CD1 3.94Å; L114-L178 HydrophobicContact CG-CD1 3.62Å; N152-L178 HydrophobicContact CB-CD1 4.33Å; N152-L178 HydrophobicContact CB-CD2 3.87Å; N152-L178 HydrophobicContact CB-CG 4.2Å; V153-L178 HydrophobicContact CG1-CD2 3.42Å; V153-L178 VanDerWaalsContact CG1-CD2 3.42Å; L178-L186 WeakPolarHBondContact O-CD2 3.06Å
179K92.1Very high92.2Very high131 Ų13160 Ų6057%0.5732%0.321SS*.SBendtrans-90.5119.3175.2-55.7-175.8176.21790109S177 N181 L182 N183S177-K179 PolarHBondContact O-N 2.87Å; S177-K179 PolarHBondContact OG-N 3.46Å; K179-N181 WeakPolarHBondContact CB-OD1 3.4Å; K179-N181 PolarHBondContact O-N 3.4Å; K179-L182 HydrophobicContact CB-CD1 4.12Å; K179-L182 HydrophobicContact CD-CD1 4.29Å; K179-L182 PolarHBondContact O-N 2.8Å; K179-N183 PolarHBondContact O-N 3.23Å
180S87.1Confident92.5Very high17 Ų1757 Ų5712%0.11931%0.305CS..THydrogen-bonded Turntrans-61.5-29.2-175.3-177.30000113.1N108 L182 N183 L186 P188N108-S180 WeakPolarHBondContact OD1-CB 3.31Å; S180-L182 PolarHBondContact O-N 3.02Å; S180-N183 CarbonylContact O-C 3.29Å; S180-N183 VanDerWaalsContact O-C 3.29Å; S180-N183 PolarHBondContact O-N 3.44Å; S180-N183 VanDerWaalsContact O-O 3.1Å; S180-L186 PolarHBondContact OG-O 3.4Å; S180-P188 VanDerWaalsContact OG-CA 3.3Å; S180-P188 WeakPolarHBondContact OG-CA 3.39Å; S180-P188 VanDerWaalsContact OG-CB 3.27Å; S180-P188 WeakPolarHBondContact OG-CB 3.44Å
181N90.8Very high92.8Very high131 Ų13150.6 Ų50.670%0.70128%0.281SS*.THydrogen-bonded Turntrans-66.4-21173.767.6-40000114.3K179K179-N181 WeakPolarHBondContact CB-OD1 3.4Å; K179-N181 PolarHBondContact O-N 3.4Å
182L93Very high93.1Very high114 Ų11446.3 Ų46.360%0.59725%0.254SS*.THydrogen-bonded Turntrans-100.7-18.6172.6-79.488.2000112.6K179 S180K179-L182 HydrophobicContact CB-CD1 4.12Å; K179-L182 HydrophobicContact CD-CD1 4.29Å; K179-L182 PolarHBondContact O-N 2.8Å; S180-L182 PolarHBondContact O-N 3.02Å
183N92.6Very high93.3Very high5 Ų547.7 Ų47.73%0.02726%0.258CS..  trans-12489.6-177.2-172.7-5.2000109.9A172 C173 S177 K179 S180 Y185 L186A172-N183 PolarHBondContact O-ND2 3.35Å; C173-N183 PolarHBondContact O-ND2 2.9Å; S177-N183 WeakPolarHBondContact O-CB 3.4Å; S177-N183 PolarHBondContact O-ND2 2.9Å; K179-N183 PolarHBondContact O-N 3.23Å; S180-N183 CarbonylContact O-C 3.29Å; S180-N183 VanDerWaalsContact O-C 3.29Å; S180-N183 PolarHBondContact O-N 3.44Å; S180-N183 VanDerWaalsContact O-O 3.1Å; N183-Y185 PolarHBondContact O-N 3.41Å; N183-Y185 VanDerWaalsContact O-N 3.09Å; N183-Y185 WeakPolarHBondContact OD1-CD2 3.3Å; N183-Y185 PolarHBondContact OD1-N 3.47Å; N183-L186 HydrophobicContact CB-CB 4.23Å; N183-L186 WeakPolarHBondContact O-CB 3.36Å; N183-L186 PolarHBondContact O-N 3.17Å; N183-L186 VanDerWaalsContact O-N 3.12Å
184P92.6Very high93.3Very high94 Ų9449 Ų4961%0.6127%0.265SS*.THydrogen-bonded Turntrans-67.8-10.3-177.129.3-36000113.2L186P184-L186 VanDerWaalsContact C-N 3.31Å
185Y93.8Very high93.4Very high74 Ų7449.5 Ų49.529%0.2927%0.268SS..THydrogen-bonded Turntrans-87.4-2178-47.2-67.7000112.9C158 V159 S168 N169 A172 C173 N183C158-Y185 WeakPolarHBondContact CA-O 3.42Å; V159-Y185 PolarHBondContact N-O 3.21Å; S168-Y185 WeakPolarHBondContact OG-CD1 3.37Å; S168-Y185 WeakPolarHBondContact OG-CE1 3.18Å; N169-Y185 HydrophobicContact CB-CD1 3.6Å; N169-Y185 HydrophobicContact CB-CD2 4.09Å; N169-Y185 HydrophobicContact CB-CE1 3.56Å; N169-Y185 HydrophobicContact CB-CE2 4.06Å; N169-Y185 HydrophobicContact CB-CG 3.85Å; A172-Y185 HydrophobicContact CB-CD2 3.51Å; A172-Y185 HydrophobicContact CB-CE2 3.62Å; A172-Y185 HydrophobicContact CB-CG 4.41Å; C173-Y185 PolarHBondContact SG-O 3.29Å; N183-Y185 PolarHBondContact O-N 3.41Å; N183-Y185 VanDerWaalsContact O-N 3.09Å; N183-Y185 WeakPolarHBondContact OD1-CD2 3.3Å; N183-Y185 PolarHBondContact OD1-N 3.47Å
186L94.6Very high93.5Very high4 Ų447.2 Ų47.22%0.02126%0.257CS..BIsolated β-bridgetrans-108.2131.1-179.4-17767.8000110.7C103 A110 V153 C157 L178 S180 N183 P184C103-L186 HydrophobicContact CB-CD1 4.42Å; A110-L186 HydrophobicContact CB-CD1 4.49Å; A110-L186 HydrophobicContact CB-CD2 3.75Å; V153-L186 HydrophobicContact CG1-CD1 4.45Å; V153-L186 HydrophobicContact CG2-CD1 4.11Å; C157-L186 HydrophobicContact CB-CD1 3.86Å; L178-L186 WeakPolarHBondContact O-CD2 3.06Å; S180-L186 PolarHBondContact OG-O 3.4Å; N183-L186 HydrophobicContact CB-CB 4.23Å; N183-L186 WeakPolarHBondContact O-CB 3.36Å; N183-L186 PolarHBondContact O-N 3.17Å; N183-L186 VanDerWaalsContact O-N 3.12Å; P184-L186 VanDerWaalsContact C-N 3.31Å
187N95Very high93.7Very high16 Ų1648.7 Ų48.79%0.08627%0.266CS..  trans-61.1125.9177.3-71.6-47.5000110.9K101 C103 C157K101-N187 WeakPolarHBondContact O-CB 3.47Å; C103-N187 HydrophobicContact CB-CB 4.37Å; C157-N187 PolarHBondContact O-N 3.04Å; C157-N187 VanDerWaalsContact O-N 3.08Å; C157-N187 PolarHBondContact O-ND2 3.19Å
188P93.7Very high93.8Very high51 Ų5149 Ų4933%0.33126%0.264SS..  trans-73.4-28.6-176.724.5-31.5000113.7N108 S180N108-P188 PolarHBondContact N-O 3.45Å; S180-P188 VanDerWaalsContact OG-CA 3.3Å; S180-P188 WeakPolarHBondContact OG-CA 3.39Å; S180-P188 VanDerWaalsContact OG-CB 3.27Å; S180-P188 WeakPolarHBondContact OG-CB 3.44Å
189H96.1Very high93.7Very high100 Ų10052.2 Ų52.246%0.46328%0.281SS..SBendtrans-84.6139.9-169.5-62.7-62000112.7C102 C103 D107 V194C102-H189 CarbonylContact C-O 3.48Å; C102-H189 WeakPolarHBondContact CA-O 3.02Å; C102-H189 VanDerWaalsContact CB-O 3.23Å; C102-H189 WeakPolarHBondContact CB-O 3.35Å; C103-H189 PolarHBondContact N-O 2.93Å; D107-H189 WeakPolarHBondContact OD1-CA 3.08Å; D107-H189 IonicContact OD1-ND1 3.83Å; H189-V194 HydrophobicContact CB-CG2 3.69Å
190G95.6Very high93.6Very high0 Ų053.2 Ų53.20%028%0.282CS..  trans-76.5139.1170.700000111.4V105 E106 D107 A192 N193 V194V105-G190 CarbonylContact O-C 3.5Å; V105-G190 WeakPolarHBondContact O-CA 2.92Å; E106-G190 WeakPolarHBondContact O-CA 3.43Å; D107-G190 PolarHBondContact OD1-N 3.07Å; G190-A192 VanDerWaalsContact C-N 3.3Å; G190-A192 PolarHBondContact O-N 2.83Å; G190-N193 PolarHBondContact O-N 2.04Å; G190-V194 WeakPolarHBondContact O-CG2 3.3Å; G190-V194 PolarHBondContact O-N 3.14Å
191C97Very high93.8Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-65.6-33.1-178.6-63.90000113.1M75 Q97 C102 A104 V105 I195M75-C191 HydrophobicContact CE-CB 3.25Å; M75-C191 HydrophobicContact SD-CB 3.98Å; Q97-C191 VanDerWaalsContact CG-SG 3.53Å; C102-C191 HydrophobicContact CB-CB 3.89Å; C102-C191 WeakPolarHBondContact CB-SG 3.4Å; C102-C191 WeakPolarHBondContact SG-CA 3.43Å; C102-C191 WeakPolarHBondContact SG-CB 3.02Å; C102-C191 CovalentContact SG-SG 2.03Å; C102-C191 PolarHBondContact SG-SG 2.03Å; A104-C191 WeakPolarHBondContact O-CB 3.32Å; A104-C191 PolarHBondContact O-SG 3.26Å; V105-C191 PolarHBondContact O-N 3.36Å; C191-I195 WeakPolarHBondContact O-CB 2.98Å; C191-I195 WeakPolarHBondContact O-CD1 3.13Å; C191-I195 WeakPolarHBondContact O-CG1 3.39Å; C191-I195 PolarHBondContact O-N 3.46Å
192A96.2Very high93.8Very high0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-63.2-44.9173.100000111.2V72 V105 G190 V194 I195 I196V72-A192 HydrophobicContact CG2-CB 3.87Å; V105-A192 HydrophobicContact CG1-CB 3.96Å; V105-A192 VanDerWaalsContact O-CB 3.3Å; V105-A192 WeakPolarHBondContact O-CB 3.38Å; V105-A192 PolarHBondContact O-N 3.45Å; G190-A192 VanDerWaalsContact C-N 3.3Å; G190-A192 PolarHBondContact O-N 2.83Å; A192-V194 PolarHBondContact O-N 2.87Å; A192-I195 PolarHBondContact O-N 3.37Å; A192-I196 WeakPolarHBondContact O-CB 3.17Å; A192-I196 WeakPolarHBondContact O-CD1 3.37Å; A192-I196 WeakPolarHBondContact O-CG1 3.3Å; A192-I196 PolarHBondContact O-N 2.93Å
193N95Very high93.6Very high58 Ų5856.9 Ų56.931%0.3128%0.284SS..Hα-helixtrans-61.6-45.5-179.2-64.329.6000110.9D107 G190 I196 A197D107-N193 PolarHBondContact OD1-ND2 2.87Å; D107-N193 PolarHBondContact OD2-ND2 3.37Å; G190-N193 PolarHBondContact O-N 2.04Å; N193-I196 PolarHBondContact O-N 3.42Å; N193-A197 WeakPolarHBondContact O-CB 3.45Å; N193-A197 PolarHBondContact O-N 3.02Å
194V95.6Very high93.5Very high29 Ų2962.2 Ų62.218%0.17631%0.311CS..Hα-helixtrans-64.6-44.8176.3178.60000111.2L100 C102 H189 G190 A192 I196 A197 L198L100-V194 HydrophobicContact CB-CG1 4.07Å; L100-V194 HydrophobicContact CD2-CG1 4.32Å; C102-V194 HydrophobicContact CB-CG2 4.24Å; H189-V194 HydrophobicContact CB-CG2 3.69Å; G190-V194 WeakPolarHBondContact O-CG2 3.3Å; G190-V194 PolarHBondContact O-N 3.14Å; A192-V194 PolarHBondContact O-N 2.87Å; V194-I196 PolarHBondContact O-N 2.03Å; V194-A197 PolarHBondContact O-N 3.47Å; V194-L198 HydrophobicContact CG1-CD1 4.02Å; V194-L198 HydrophobicContact CG1-CG 4.36Å; V194-L198 WeakPolarHBondContact O-CB 3.23Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 2.98Å; V194-L198 PolarHBondContact O-N 3.04Å
195I94.8Very high93.5Very high27 Ų2760.6 Ų60.614%0.13830%0.301CS..Hα-helixtrans-63.9-42.8179-67.7163.9000110.9M71 L100 C191 A192 A197 L198 L199M71-I195 HydrophobicContact CE-CB 3.89Å; M71-I195 HydrophobicContact CE-CD1 3.52Å; M71-I195 HydrophobicContact CE-CG1 4.27Å; M71-I195 HydrophobicContact CE-CG2 3.4Å; M71-I195 HydrophobicContact SD-CG2 4.21Å; L100-I195 HydrophobicContact CD1-CD1 3.99Å; L100-I195 HydrophobicContact CD1-CG1 3.51Å; C191-I195 WeakPolarHBondContact O-CB 2.98Å; C191-I195 WeakPolarHBondContact O-CD1 3.13Å; C191-I195 WeakPolarHBondContact O-CG1 3.39Å; C191-I195 PolarHBondContact O-N 3.46Å; A192-I195 PolarHBondContact O-N 3.37Å; I195-A197 VanDerWaalsContact C-N 3.34Å; I195-A197 PolarHBondContact O-N 3.08Å; I195-L198 PolarHBondContact O-N 2.82Å; I195-L199 HydrophobicContact CG2-CD1 3.97Å; I195-L199 HydrophobicContact CG2-CG 4.12Å; I195-L199 WeakPolarHBondContact O-CB 3.22Å; I195-L199 VanDerWaalsContact O-CG 3.27Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 3.3Å
196I93.7Very high93.4Very high39 Ų3961.7 Ų61.720%0.231%0.311CS..Hα-helixtrans-60.4-46.5176.7-68.4161.5000109.8I68 A192 N193 V194 L198 L199 Y200I68-I196 HydrophobicContact CG2-CD1 3.63Å; I68-I196 HydrophobicContact CG2-CG1 4.13Å; A192-I196 WeakPolarHBondContact O-CB 3.17Å; A192-I196 WeakPolarHBondContact O-CD1 3.37Å; A192-I196 WeakPolarHBondContact O-CG1 3.3Å; A192-I196 PolarHBondContact O-N 2.93Å; N193-I196 PolarHBondContact O-N 3.42Å; V194-I196 PolarHBondContact O-N 2.03Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 3.36Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 3.48Å; I196-Y200 HydrophobicContact CG2-CD2 3.85Å; I196-Y200 HydrophobicContact CG2-CE2 3.72Å; I196-Y200 WeakPolarHBondContact O-CD2 3.43Å; I196-Y200 PolarHBondContact O-N 2.99Å
197A94.2Very high93.2Very high58 Ų5865 Ų6548%0.47933%0.328SS..Hα-helixtrans-59.3-43.9176.500000112.3N193 V194 I195 Y200 Q201N193-A197 WeakPolarHBondContact O-CB 3.45Å; N193-A197 PolarHBondContact O-N 3.02Å; V194-A197 PolarHBondContact O-N 3.47Å; I195-A197 VanDerWaalsContact C-N 3.34Å; I195-A197 PolarHBondContact O-N 3.08Å; A197-Y200 PolarHBondContact O-N 3.47Å; A197-Q201 WeakPolarHBondContact O-CB 3.36Å; A197-Q201 PolarHBondContact O-N 2.86Å
198L92.6Very high93.2Very high55 Ų5568.8 Ų68.829%0.28835%0.347SS..Hα-helixtrans-64-42175.3-72.5173.2000112.1L100 V194 I195 I196 Y200 Q201 Y202L100-L198 HydrophobicContact CD2-CD1 3.46Å; L100-L198 VanDerWaalsContact CD2-CD1 3.46Å; V194-L198 HydrophobicContact CG1-CD1 4.02Å; V194-L198 HydrophobicContact CG1-CG 4.36Å; V194-L198 WeakPolarHBondContact O-CB 3.23Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 2.98Å; V194-L198 PolarHBondContact O-N 3.04Å; I195-L198 PolarHBondContact O-N 2.82Å; I196-L198 VanDerWaalsContact C-N 3.34Å; I196-L198 PolarHBondContact O-N 3.36Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-Y200 PolarHBondContact O-N 3.23Å; L198-Q201 PolarHBondContact O-N 3.04Å; L198-Y202 HydrophobicContact CD2-CD2 4.29Å; L198-Y202 HydrophobicContact CD2-CE2 3.94Å; L198-Y202 WeakPolarHBondContact O-CB 3.31Å; L198-Y202 WeakPolarHBondContact O-CD2 3.44Å; L198-Y202 PolarHBondContact O-N 3.18Å
199L91.6Very high93.2Very high94 Ų9472.3 Ų72.349%0.49236%0.361SS..Hα-helixtrans-58.1-44.2176.4-77.3172.6000110.4I195 I196 F203I195-L199 HydrophobicContact CG2-CD1 3.97Å; I195-L199 HydrophobicContact CG2-CG 4.12Å; I195-L199 WeakPolarHBondContact O-CB 3.22Å; I195-L199 VanDerWaalsContact O-CG 3.27Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 3.3Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 3.48Å; L199-F203 WeakPolarHBondContact O-CA 3.48Å; L199-F203 WeakPolarHBondContact O-CB 3.46Å; L199-F203 PolarHBondContact O-N 3.43Å
200Y89.9Confident93Very high151 Ų15171.3 Ų71.359%0.59236%0.362SS*.Hα-helixtrans-64.9-42175.4-84.1-75.9000112.8I196 A197 L198 F203I196-Y200 HydrophobicContact CG2-CD2 3.85Å; I196-Y200 HydrophobicContact CG2-CE2 3.72Å; I196-Y200 WeakPolarHBondContact O-CD2 3.43Å; I196-Y200 PolarHBondContact O-N 2.99Å; A197-Y200 PolarHBondContact O-N 3.47Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-Y200 PolarHBondContact O-N 3.23Å; Y200-F203 WeakPolarHBondContact O-CB 3.1Å; Y200-F203 PolarHBondContact O-N 3.46Å
201Q90.5Very high93Very high133 Ų13375.3 Ų75.362%0.62139%0.386SS*.Hα-helixtrans-65.8-42.8-179.9-174.7175.11.300112.4A197 L198A197-Q201 WeakPolarHBondContact O-CB 3.36Å; A197-Q201 PolarHBondContact O-N 2.86Å; L198-Q201 PolarHBondContact O-N 3.04Å
202Y91.1Very high92.9Very high145 Ų14579.5 Ų79.557%0.56941%0.407SS*.Hα-helixtrans-923.4-179.7-72-79.8000113.4L198 I204 P205 L206L198-Y202 HydrophobicContact CD2-CD2 4.29Å; L198-Y202 HydrophobicContact CD2-CE2 3.94Å; L198-Y202 WeakPolarHBondContact O-CB 3.31Å; L198-Y202 WeakPolarHBondContact O-CD2 3.44Å; L198-Y202 PolarHBondContact O-N 3.18Å; Y202-I204 PolarHBondContact O-N 3.49Å; Y202-P205 HydrophobicContact CD1-CG 4.31Å; Y202-P205 VanDerWaalsContact O-CD 3.29Å; Y202-P205 WeakPolarHBondContact O-CD 3.48Å; Y202-P205 VanDerWaalsContact O-CG 3.28Å; Y202-P205 WeakPolarHBondContact O-CG 3.16Å; Y202-L206 WeakPolarHBondContact O-CB 3.25Å; Y202-L206 PolarHBondContact O-N 3.03Å
203F90Very high92.8Very high62 Ų6284.3 Ų84.327%0.27243%0.433SS..Hα-helixtrans-63.3-43.2-177.7-163.1-115.6000112.5R64 L199 Y200 L206 I207R64-F203 VanDerWaalsContact CZ-CZ 3.44Å; L199-F203 WeakPolarHBondContact O-CA 3.48Å; L199-F203 WeakPolarHBondContact O-CB 3.46Å; L199-F203 PolarHBondContact O-N 3.43Å; Y200-F203 WeakPolarHBondContact O-CB 3.1Å; Y200-F203 PolarHBondContact O-N 3.46Å; F203-L206 PolarHBondContact O-N 3.01Å; F203-I207 HydrophobicContact CD1-CD1 3.5Å; F203-I207 VanDerWaalsContact CD1-CD1 3.5Å; F203-I207 HydrophobicContact CD1-CG1 4.31Å; F203-I207 HydrophobicContact CE1-CD1 3.1Å; F203-I207 HydrophobicContact CE1-CG1 3.96Å; F203-I207 HydrophobicContact CG-CD1 4.38Å; F203-I207 HydrophobicContact CZ-CD1 3.67Å; F203-I207 HydrophobicContact CZ-CG1 4.07Å; F203-I207 WeakPolarHBondContact O-CG1 3.43Å; F203-I207 PolarHBondContact O-N 3.38Å
204I90Very high92.8Very high116 Ų11683 Ų8360%0.59543%0.429SS*.Hα-helixtrans-63.4-53.9-177.6-59.9173.9000111.8Y202 L206 I207 I208Y202-I204 PolarHBondContact O-N 3.49Å; I204-L206 PolarHBondContact O-N 3.44Å; I204-I207 PolarHBondContact O-N 3.38Å; I204-I207 VanDerWaalsContact O-N 3.16Å; I204-I208 HydrophobicContact CG2-CD1 4.06Å; I204-I208 WeakPolarHBondContact O-CG1 3.33Å; I204-I208 PolarHBondContact O-N 3.42Å
205P92.7Very high92.8Very high60 Ų6086 Ų8639%0.3945%0.448SS..Hα-helixtrans-62.5-32.9178.222.9-32.9000112.3Y202 I208 M209Y202-P205 HydrophobicContact CD1-CG 4.31Å; Y202-P205 VanDerWaalsContact O-CD 3.29Å; Y202-P205 WeakPolarHBondContact O-CD 3.48Å; Y202-P205 VanDerWaalsContact O-CG 3.28Å; Y202-P205 WeakPolarHBondContact O-CG 3.16Å; P205-I208 PolarHBondContact O-N 3.07Å; P205-M209 WeakPolarHBondContact O-CG 3.47Å; P205-M209 PolarHBondContact O-N 3.12Å
206L91.5Very high92.8Very high98 Ų9890.1 Ų90.151%0.51347%0.469SS..Hα-helixtrans-62.6-45.7174.2-174153.3000111.5Y202 F203 I204 I208 M209 V210Y202-L206 WeakPolarHBondContact O-CB 3.25Å; Y202-L206 PolarHBondContact O-N 3.03Å; F203-L206 PolarHBondContact O-N 3.01Å; I204-L206 PolarHBondContact O-N 3.44Å; L206-I208 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 3.47Å; L206-M209 PolarHBondContact O-N 2.99Å; L206-V210 HydrophobicContact CD2-CG2 4.06Å; L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.31Å
207I91.5Very high92.9Very high73 Ų7389.5 Ų89.537%0.37447%0.466SS..Hα-helixtrans-58.8-46174.8-71.8169.2000110.7F203 I204 M209 V210 V211F203-I207 HydrophobicContact CD1-CD1 3.5Å; F203-I207 VanDerWaalsContact CD1-CD1 3.5Å; F203-I207 HydrophobicContact CD1-CG1 4.31Å; F203-I207 HydrophobicContact CE1-CD1 3.1Å; F203-I207 HydrophobicContact CE1-CG1 3.96Å; F203-I207 HydrophobicContact CG-CD1 4.38Å; F203-I207 HydrophobicContact CZ-CD1 3.67Å; F203-I207 HydrophobicContact CZ-CG1 4.07Å; F203-I207 WeakPolarHBondContact O-CG1 3.43Å; F203-I207 PolarHBondContact O-N 3.38Å; I204-I207 PolarHBondContact O-N 3.38Å; I204-I207 VanDerWaalsContact O-N 3.16Å; I207-M209 VanDerWaalsContact C-N 3.32Å; I207-M209 PolarHBondContact O-N 3.33Å; I207-V210 PolarHBondContact O-N 3.37Å; I207-V210 VanDerWaalsContact O-N 3.16Å; I207-V211 HydrophobicContact CG2-CG2 4.15Å; I207-V211 WeakPolarHBondContact O-CG2 3.21Å; I207-V211 PolarHBondContact O-N 3.01Å
208I94Very high92.9Very high95 Ų9590.6 Ų90.649%0.48746%0.462SS..Hα-helixtrans-58.3-47.1-179.8-66.4168.1000110.2I204 P205 L206 V210 V211 I212I204-I208 HydrophobicContact CG2-CD1 4.06Å; I204-I208 WeakPolarHBondContact O-CG1 3.33Å; I204-I208 PolarHBondContact O-N 3.42Å; P205-I208 PolarHBondContact O-N 3.07Å; L206-I208 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 3.47Å; I208-V210 VanDerWaalsContact C-N 3.34Å; I208-V210 PolarHBondContact O-N 3.4Å; I208-V211 PolarHBondContact O-N 3.25Å; I208-I212 HydrophobicContact CG2-CD1 3.89Å; I208-I212 VanDerWaalsContact O-CG1 3.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.42Å; I208-I212 PolarHBondContact O-N 3.12Å
209M93.8Very high93Very high126 Ų12690.1 Ų90.162%0.62147%0.466SS*.Hα-helixtrans-59.8-42.8176.5-71.8-62.1-147.100112.4P205 L206 I207 I212 L213P205-M209 WeakPolarHBondContact O-CG 3.47Å; P205-M209 PolarHBondContact O-N 3.12Å; L206-M209 PolarHBondContact O-N 2.99Å; I207-M209 VanDerWaalsContact C-N 3.32Å; I207-M209 PolarHBondContact O-N 3.33Å; M209-I212 PolarHBondContact O-N 3.47Å; M209-L213 WeakPolarHBondContact O-CG 3.25Å; M209-L213 PolarHBondContact O-N 3.37Å
210V92.7Very high93.1Very high79 Ų7986.6 Ų86.648%0.47945%0.452SS..Hα-helixtrans-64.5-40.8177.7171.30000111.6L206 I207 I208 L213 A214L206-V210 HydrophobicContact CD2-CG2 4.06Å; L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.31Å; I207-V210 PolarHBondContact O-N 3.37Å; I207-V210 VanDerWaalsContact O-N 3.16Å; I208-V210 VanDerWaalsContact C-N 3.34Å; I208-V210 PolarHBondContact O-N 3.4Å; V210-L213 PolarHBondContact O-N 2.82Å; V210-A214 WeakPolarHBondContact O-CB 3.38Å; V210-A214 PolarHBondContact O-N 3.15Å
211V93.8Very high93.3Very high84 Ų8480.1 Ų80.151%0.50943%0.428SS..Hα-helixtrans-64-42.7176.5172.30000110.8I207 I208 L213 A214 V215I207-V211 HydrophobicContact CG2-CG2 4.15Å; I207-V211 WeakPolarHBondContact O-CG2 3.21Å; I207-V211 PolarHBondContact O-N 3.01Å; I208-V211 PolarHBondContact O-N 3.25Å; V211-L213 PolarHBondContact O-N 3.07Å; V211-A214 WeakPolarHBondContact O-CB 3.3Å; V211-A214 PolarHBondContact O-N 3.06Å; V211-V215 WeakPolarHBondContact O-CG2 3.33Å; V211-V215 PolarHBondContact O-N 3.45Å
212I95.9Very high93.6Very high87 Ų8778.3 Ų78.345%0.44642%0.421SS..Hα-helixtrans-59.7-47.2175.4-67.9165.2000110.5I208 M209 A214 V215 L216I208-I212 HydrophobicContact CG2-CD1 3.89Å; I208-I212 VanDerWaalsContact O-CG1 3.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.42Å; I208-I212 PolarHBondContact O-N 3.12Å; M209-I212 PolarHBondContact O-N 3.47Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.18Å; I212-V215 PolarHBondContact O-N 2.82Å; I212-L216 HydrophobicContact CG2-CD1 4.21Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 2.93Å
213L94.9Very high93.7Very high102 Ų10276.5 Ų76.553%0.53442%0.421SS..Hα-helixtrans-60.4-40.8176.3-70.1172.4000111.9M209 V210 V211 L216 M217M209-L213 WeakPolarHBondContact O-CG 3.25Å; M209-L213 PolarHBondContact O-N 3.37Å; V210-L213 PolarHBondContact O-N 2.82Å; V211-L213 PolarHBondContact O-N 3.07Å; L213-L216 PolarHBondContact O-N 3.01Å; L213-M217 WeakPolarHBondContact O-CG 2.98Å; L213-M217 PolarHBondContact O-N 2.92Å
214A94.4Very high93.8Very high29 Ų2973.7 Ų73.724%0.2441%0.41CS..Hα-helixtrans-62.3-42.5175.900000112.3F50 V210 V211 I212 M217 M218F50-A214 HydrophobicContact CE2-CB 4.47Å; V210-A214 WeakPolarHBondContact O-CB 3.38Å; V210-A214 PolarHBondContact O-N 3.15Å; V211-A214 WeakPolarHBondContact O-CB 3.3Å; V211-A214 PolarHBondContact O-N 3.06Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.18Å; A214-M217 HydrophobicContact CB-CE 4.38Å; A214-M217 PolarHBondContact O-N 3.49Å; A214-M218 VanDerWaalsContact O-CG 3.3Å; A214-M218 WeakPolarHBondContact O-CG 3.49Å; A214-M218 PolarHBondContact O-N 2.93Å
215V95.9Very high93.9Very high93 Ų9372 Ų7256%0.56440%0.401SS*.Hα-helixtrans-63.3-42.6175.6172.80000111.3V211 I212 M218 A219V211-V215 WeakPolarHBondContact O-CG2 3.33Å; V211-V215 PolarHBondContact O-N 3.45Å; I212-V215 PolarHBondContact O-N 2.82Å; V215-M218 PolarHBondContact O-N 3.31Å; V215-A219 PolarHBondContact O-N 2.64Å
216L94.6Very high94Very high113 Ų11374 Ų7459%0.59241%0.408SS*.Hα-helixtrans-63.8-41.1176.4-68.9174.1000112.2I212 L213 A219 G220I212-L216 HydrophobicContact CG2-CD1 4.21Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 2.93Å; L213-L216 PolarHBondContact O-N 3.01Å; L216-A219 PolarHBondContact O-N 3.03Å; L216-G220 PolarHBondContact O-N 3.17Å
217M94.7Very high94Very high27 Ų2772.3 Ų72.313%0.13340%0.4CS..Hα-helixtrans-62.3-44.7173.9-72.8-173.8-69.300111.4L49 F50 L213 A214 A219 G220 L221L49-M217 HydrophobicContact CD2-SD 4.06Å; L49-M217 HydrophobicContact CG-SD 4.11Å; F50-M217 HydrophobicContact CD2-CB 4.34Å; F50-M217 HydrophobicContact CD2-CE 4.04Å; L213-M217 WeakPolarHBondContact O-CG 2.98Å; L213-M217 PolarHBondContact O-N 2.92Å; A214-M217 HydrophobicContact CB-CE 4.38Å; A214-M217 PolarHBondContact O-N 3.49Å; M217-A219 PolarHBondContact O-N 3.27Å; M217-G220 PolarHBondContact O-N 3.41Å; M217-L221 WeakPolarHBondContact O-CG 3.14Å; M217-L221 PolarHBondContact O-N 3.14Å
218M94.4Very high93.9Very high81 Ų8170.4 Ų70.440%0.39939%0.39SS..Hα-helixtrans-62.1-42.3177.2-73.1-60.7-6400112.1F50 A214 V215 L221 I222F50-M218 HydrophobicContact CD2-SD 4.45Å; F50-M218 HydrophobicContact CE1-SD 4.14Å; F50-M218 HydrophobicContact CE2-CG 4.07Å; F50-M218 HydrophobicContact CE2-SD 3.89Å; F50-M218 HydrophobicContact CZ-CG 4.35Å; F50-M218 HydrophobicContact CZ-SD 3.72Å; A214-M218 VanDerWaalsContact O-CG 3.3Å; A214-M218 WeakPolarHBondContact O-CG 3.49Å; A214-M218 PolarHBondContact O-N 2.93Å; V215-M218 PolarHBondContact O-N 3.31Å; M218-L221 PolarHBondContact O-N 3.18Å; M218-L221 HydrophobicContact SD-CD1 4.31Å; M218-I222 VanDerWaalsContact O-CG1 3.26Å; M218-I222 WeakPolarHBondContact O-CG1 3.48Å; M218-I222 PolarHBondContact O-N 2.9Å
219A95.1Very high93.8Very high44 Ų4474.6 Ų74.636%0.36440%0.4SS..Hα-helixtrans-61-44.5174.200000111.5V215 L216 M217 L221 I222 L223V215-A219 PolarHBondContact O-N 2.64Å; L216-A219 PolarHBondContact O-N 3.03Å; M217-A219 PolarHBondContact O-N 3.27Å; A219-L221 PolarHBondContact O-N 3.35Å; A219-I222 PolarHBondContact O-N 2.94Å; A219-L223 WeakPolarHBondContact O-CB 3.47Å; A219-L223 VanDerWaalsContact O-CG 3.31Å; A219-L223 WeakPolarHBondContact O-CG 3.18Å; A219-L223 PolarHBondContact O-N 2.81Å
220G93.4Very high93.5Very high20 Ų2071.5 Ų71.521%0.20639%0.39CS..Hα-helixtrans-60.6-40.8175.300000113.2L216 M217 G224L216-G220 PolarHBondContact O-N 3.17Å; M217-G220 PolarHBondContact O-N 3.41Å; G220-G224 PolarHBondContact O-N 3Å
221L94.6Very high93.2Very high16 Ų1668.6 Ų68.68%0.08437%0.371CS..Hα-helixtrans-65.9-44.1175.4-70.2172.5000112F43 L46 C47 F50 M217 M218 A219 G224 L225F43-L221 HydrophobicContact CD2-CD2 3.65Å; F43-L221 HydrophobicContact CE2-CB 4.06Å; F43-L221 HydrophobicContact CE2-CD2 3.46Å; F43-L221 VanDerWaalsContact CE2-CD2 3.46Å; F43-L221 HydrophobicContact CE2-CG 4.36Å; F43-L221 HydrophobicContact CG-CD2 4.46Å; F43-L221 HydrophobicContact CZ-CD2 4.16Å; L46-L221 HydrophobicContact CB-CD2 3.76Å; L46-L221 HydrophobicContact CB-CG 4.46Å; C47-L221 HydrophobicContact CB-CD2 4.2Å; F50-L221 HydrophobicContact CB-CD1 4.5Å; M217-L221 WeakPolarHBondContact O-CG 3.14Å; M217-L221 PolarHBondContact O-N 3.14Å; M218-L221 PolarHBondContact O-N 3.18Å; M218-L221 HydrophobicContact SD-CD1 4.31Å; A219-L221 PolarHBondContact O-N 3.35Å; L221-G224 PolarHBondContact O-N 3Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 3Å
222I95.7Very high92.5Very high94 Ų9467.1 Ų67.148%0.48236%0.364SS..Hα-helixtrans-62.4-48.5177.3-67.5164000110.2M218 A219 G224 L225 L226M218-I222 VanDerWaalsContact O-CG1 3.26Å; M218-I222 WeakPolarHBondContact O-CG1 3.48Å; M218-I222 PolarHBondContact O-N 2.9Å; A219-I222 PolarHBondContact O-N 2.94Å; I222-G224 VanDerWaalsContact C-N 3.35Å; I222-G224 PolarHBondContact O-N 3.09Å; I222-L225 PolarHBondContact O-N 3.35Å; I222-L226 HydrophobicContact CG2-CD1 4.07Å; I222-L226 HydrophobicContact CG2-CG 4.42Å; I222-L226 WeakPolarHBondContact O-CG 3.46Å; I222-L226 PolarHBondContact O-N 3.07Å
223L93.7Very high91.7Very high108 Ų10867.5 Ų67.557%0.56537%0.371SS*.Hα-helixtrans-61.3-42.8177.5-71.2172.2000111.7A219 L225 L226 L227A219-L223 WeakPolarHBondContact O-CB 3.47Å; A219-L223 VanDerWaalsContact O-CG 3.31Å; A219-L223 WeakPolarHBondContact O-CG 3.18Å; A219-L223 PolarHBondContact O-N 2.81Å; L223-L225 VanDerWaalsContact C-N 3.35Å; L223-L225 PolarHBondContact O-N 3.44Å; L223-L226 PolarHBondContact O-N 3.22Å; L223-L227 WeakPolarHBondContact O-CG 3.38Å; L223-L227 PolarHBondContact O-N 3.04Å
224G93.1Very high90.5Very high3 Ų367.1 Ų67.13%0.03137%0.369CS..Hα-helixtrans-59.1-43.2174.700000112.6G220 L221 I222 L227 L228G220-G224 PolarHBondContact O-N 3Å; L221-G224 PolarHBondContact O-N 3Å; I222-G224 VanDerWaalsContact C-N 3.35Å; I222-G224 PolarHBondContact O-N 3.09Å; G224-L227 PolarHBondContact O-N 3.31Å; G224-L228 WeakPolarHBondContact O-CB 3.33Å; G224-L228 VanDerWaalsContact O-CG 3.25Å; G224-L228 WeakPolarHBondContact O-CG 3.48Å; G224-L228 PolarHBondContact O-N 3.18Å
225L92.5Very high89.2Confident80 Ų8069.2 Ų69.242%0.41938%0.377SS..Hα-helixtrans-65.2-41175.5-72.7171.9000112.7F43 L221 I222 L223 L228 R229F43-L225 HydrophobicContact CD2-CD2 4.48Å; F43-L225 HydrophobicContact CD2-CG 4.36Å; F43-L225 HydrophobicContact CE1-CD2 4.23Å; F43-L225 HydrophobicContact CE2-CD1 4.12Å; F43-L225 HydrophobicContact CE2-CD2 3.74Å; F43-L225 HydrophobicContact CE2-CG 3.54Å; F43-L225 HydrophobicContact CZ-CD1 4.21Å; F43-L225 HydrophobicContact CZ-CD2 3.59Å; F43-L225 HydrophobicContact CZ-CG 3.84Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 3Å; I222-L225 PolarHBondContact O-N 3.35Å; L223-L225 VanDerWaalsContact C-N 3.35Å; L223-L225 PolarHBondContact O-N 3.44Å; L225-L228 PolarHBondContact O-N 3.04Å; L225-R229 WeakPolarHBondContact O-CB 3.31Å; L225-R229 WeakPolarHBondContact O-CG 3.27Å; L225-R229 PolarHBondContact O-N 3.43Å
226L93.2Very high87.5Confident101 Ų10172.8 Ų72.853%0.52938%0.381SS..Hα-helixtrans-63.5-44.4177.2-70174.6000111.2I222 L223 R229 S230I222-L226 HydrophobicContact CG2-CD1 4.07Å; I222-L226 HydrophobicContact CG2-CG 4.42Å; I222-L226 WeakPolarHBondContact O-CG 3.46Å; I222-L226 PolarHBondContact O-N 3.07Å; L223-L226 PolarHBondContact O-N 3.22Å; L226-R229 PolarHBondContact O-N 2.78Å; L226-S230 PolarHBondContact O-N 2.98Å
227L91.7Very high85.8Confident64 Ų6471.2 Ų71.234%0.33538%0.377SS..Hα-helixtrans-65-43.1176.1-72.1176.4000112.1A31 L39 L223 G224 R229 S230 F231A31-L227 HydrophobicContact CB-CD1 4.3Å; L39-L227 HydrophobicContact CD2-CB 3.62Å; L223-L227 WeakPolarHBondContact O-CG 3.38Å; L223-L227 PolarHBondContact O-N 3.04Å; G224-L227 PolarHBondContact O-N 3.31Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.73Å; L227-S230 WeakPolarHBondContact O-CB 3.22Å; L227-S230 PolarHBondContact O-N 3.12Å; L227-F231 HydrophobicContact CB-CE2 4.45Å; L227-F231 WeakPolarHBondContact O-CD2 3.47Å; L227-F231 WeakPolarHBondContact O-CG 3.3Å; L227-F231 PolarHBondContact O-N 3.39Å
228L90.5Very high84.1Confident33 Ų3375.6 Ų75.617%0.17340%0.398CS..Hα-helixtrans-60.5-39.6175.6-75.5169.8000112L39 V40 F43 G224 L225 S232L39-L228 HydrophobicContact CB-CD2 4.09Å; L39-L228 HydrophobicContact CD2-CB 4.48Å; L39-L228 HydrophobicContact CD2-CD2 3.66Å; L39-L228 HydrophobicContact CD2-CG 3.63Å; L39-L228 HydrophobicContact CG-CD2 3.9Å; L39-L228 HydrophobicContact CG-CG 3.97Å; V40-L228 HydrophobicContact CG2-CD1 4.33Å; V40-L228 HydrophobicContact CG2-CD2 3.62Å; F43-L228 HydrophobicContact CB-CD1 4.44Å; F43-L228 HydrophobicContact CG-CD1 4.45Å; G224-L228 WeakPolarHBondContact O-CB 3.33Å; G224-L228 VanDerWaalsContact O-CG 3.25Å; G224-L228 WeakPolarHBondContact O-CG 3.48Å; G224-L228 PolarHBondContact O-N 3.18Å; L225-L228 PolarHBondContact O-N 3.04Å; L228-S232 WeakPolarHBondContact O-CB 3.26Å; L228-S232 PolarHBondContact O-N 3.06Å
229R90.7Very high82.3Confident183 Ų18376.1 Ų76.169%0.69140%0.401SS*.Hα-helixtrans-66.9-44.8174.5-76.7-176.1178.4-170.40.5112L225 L226 L227 F231 S232 V233L225-R229 WeakPolarHBondContact O-CB 3.31Å; L225-R229 WeakPolarHBondContact O-CG 3.27Å; L225-R229 PolarHBondContact O-N 3.43Å; L226-R229 PolarHBondContact O-N 2.78Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.73Å; R229-F231 PolarHBondContact O-N 3.5Å; R229-S232 WeakPolarHBondContact CA-OG 3.38Å; R229-S232 PolarHBondContact O-N 3Å; R229-S232 PolarHBondContact O-OG 3.31Å; R229-V233 WeakPolarHBondContact O-CG2 3.5Å; R229-V233 PolarHBondContact O-N 3.11Å
230S89.1Confident80.2Confident61 Ų6177.8 Ų77.843%0.42740%0.404SS..Hα-helixtrans-55-54.3176.5-167.30000110.2L226 L227 S232 V233 D234L226-S230 PolarHBondContact O-N 2.98Å; L227-S230 WeakPolarHBondContact O-CB 3.22Å; L227-S230 PolarHBondContact O-N 3.12Å; S230-S232 VanDerWaalsContact C-N 3.3Å; S230-S232 PolarHBondContact O-N 3.21Å; S230-V233 WeakPolarHBondContact O-CB 3.27Å; S230-V233 PolarHBondContact O-N 3.09Å; S230-V233 VanDerWaalsContact O-N 3.07Å; S230-D234 PolarHBondContact O-N 2.91Å
231F84.4Confident78.4Confident18 Ų1883 Ų838%0.07943%0.426CS..Hα-helixtrans-60.5-40.7179.7-61.9-33.2000111.6E34 R36 L39 L227 R229 V233 D234 D235E34-F231 HydrophobicContact CB-CD1 4.32Å; E34-F231 HydrophobicContact CB-CE1 3.7Å; E34-F231 HydrophobicContact CB-CE2 4.31Å; E34-F231 HydrophobicContact CB-CZ 3.7Å; E34-F231 HydrophobicContact CG-CE1 3.62Å; E34-F231 HydrophobicContact CG-CZ 3.68Å; R36-F231 HydrophobicContact CG-CB 4.07Å; R36-F231 HydrophobicContact CG-CD2 4.43Å; R36-F231 PolarHBondContact NH2-O 2.93Å; L39-F231 HydrophobicContact CD2-CD2 4.03Å; L39-F231 HydrophobicContact CD2-CE2 3.89Å; L227-F231 HydrophobicContact CB-CE2 4.45Å; L227-F231 WeakPolarHBondContact O-CD2 3.47Å; L227-F231 WeakPolarHBondContact O-CG 3.3Å; L227-F231 PolarHBondContact O-N 3.39Å; R229-F231 PolarHBondContact O-N 3.5Å; F231-V233 PolarHBondContact O-N 2.96Å; F231-D234 PolarHBondContact O-N 3.15Å; F231-D235 PolarHBondContact O-N 3.19Å
232S80.9Confident76.6Confident52 Ų5291.4 Ų91.436%0.36446%0.457SS..Hα-helixtrans-56.3-31.2177.675.90000114.3L228 R229 S230L228-S232 WeakPolarHBondContact O-CB 3.26Å; L228-S232 PolarHBondContact O-N 3.06Å; R229-S232 WeakPolarHBondContact CA-OG 3.38Å; R229-S232 PolarHBondContact O-N 3Å; R229-S232 PolarHBondContact O-OG 3.31Å; S230-S232 VanDerWaalsContact C-N 3.3Å; S230-S232 PolarHBondContact O-N 3.21Å
233V77.9Confident74.9Confident96 Ų9693.9 Ų93.958%0.58247%0.466SS*.Hα-helixtrans-76.1-35.3177.6175.10000111R229 S230 F231 D235 Y236 P237R229-V233 WeakPolarHBondContact O-CG2 3.5Å; R229-V233 PolarHBondContact O-N 3.11Å; S230-V233 WeakPolarHBondContact O-CB 3.27Å; S230-V233 PolarHBondContact O-N 3.09Å; S230-V233 VanDerWaalsContact O-N 3.07Å; F231-V233 PolarHBondContact O-N 2.96Å; V233-D235 VanDerWaalsContact C-N 3.33Å; V233-D235 PolarHBondContact O-N 3.35Å; V233-Y236 WeakPolarHBondContact O-CB 3.25Å; V233-Y236 PolarHBondContact O-N 3.16Å; V233-P237 VanDerWaalsContact O-CD 3.24Å; V233-P237 WeakPolarHBondContact O-CD 3.08Å
234D69.3Low73.1Confident94 Ų9494.9 Ų94.950%0.50347%0.473SS..Hα-helixtrans-71.5-21.9-178.2-61.9-42.3000113.9S230 F231 P237S230-D234 PolarHBondContact O-N 2.91Å; F231-D234 PolarHBondContact O-N 3.15Å; D234-P237 VanDerWaalsContact O-CD 3.27Å; D234-P237 WeakPolarHBondContact O-CD 3.48Å; D234-P237 WeakPolarHBondContact O-CG 3.25Å
235D67.7Low71.1Confident73 Ų73103.5 Ų103.539%0.3952%0.524SS..Hα-helixtrans-75.7-25.2171.8-90.2-3000113.1R36 F231 V233 E238 I239R36-D235 IonicContact CZ-OD2 2.95Å; R36-D235 IonicContact NE-OD2 3.99Å; R36-D235 IonicContact NH1-OD2 2.68Å; R36-D235 PolarHBondContact NH1-OD2 3.34Å; R36-D235 IonicContact NH2-OD1 3.52Å; R36-D235 IonicContact NH2-OD2 2.73Å; R36-D235 PolarHBondContact NH2-OD2 3.21Å; F231-D235 PolarHBondContact O-N 3.19Å; V233-D235 VanDerWaalsContact C-N 3.33Å; V233-D235 PolarHBondContact O-N 3.35Å; D235-E238 PolarHBondContact O-N 3.25Å; D235-I239 HydrophobicContact CB-CD1 4.18Å; D235-I239 WeakPolarHBondContact O-CG1 3.19Å; D235-I239 PolarHBondContact O-N 2.88Å; D235-I239 VanDerWaalsContact O-N 3.12Å
236Y60.7Low70.1Confident168 Ų168104.7 Ų104.766%0.65953%0.529SS*.Hα-helixtrans-59.4-39.2-177.4-103.9-85.9000114.5V233 N240V233-Y236 WeakPolarHBondContact O-CB 3.25Å; V233-Y236 PolarHBondContact O-N 3.16Å; Y236-N240 PolarHBondContact O-N 3.46Å; Y236-N240 PolarHBondContact O-ND2 3.23Å
237P59.2Low68.9Low79 Ų79104.8 Ų104.851%0.51353%0.529SS..Hα-helixtrans-72-33.4174.924.5-33.3000114V233 D234 L241V233-P237 VanDerWaalsContact O-CD 3.24Å; V233-P237 WeakPolarHBondContact O-CD 3.08Å; D234-P237 VanDerWaalsContact O-CD 3.27Å; D234-P237 WeakPolarHBondContact O-CD 3.48Å; D234-P237 WeakPolarHBondContact O-CG 3.25Å; P237-L241 PolarHBondContact O-N 3.03Å
238E57.6Low67.6Low119 Ų119107.1 Ų107.156%0.55654%0.54SS*.Hα-helixtrans-69.5-38.7178.4-93.6-110.4156.300112.3D235 L241 R242D235-E238 PolarHBondContact O-N 3.25Å; E238-L241 PolarHBondContact O-N 2.7Å; E238-R242 PolarHBondContact O-N 2.94Å; E238-R242 IonicContact OE2-NH2 3.56Å
239I56.9Low66.2Low93 Ų93111.5 Ų111.548%0.47756%0.562SS.*Hα-helixtrans-68.3-42.5178.9-63.2166.3000110.6D235 L241 R242 E243D235-I239 HydrophobicContact CB-CD1 4.18Å; D235-I239 WeakPolarHBondContact O-CG1 3.19Å; D235-I239 PolarHBondContact O-N 2.88Å; D235-I239 VanDerWaalsContact O-N 3.12Å; I239-L241 VanDerWaalsContact C-N 3.3Å; I239-L241 PolarHBondContact O-N 3.27Å; I239-R242 PolarHBondContact O-N 3.21Å; I239-E243 PolarHBondContact O-N 2.92Å; I239-E243 VanDerWaalsContact O-N 3.12Å
240N51.8Low64.7Low79 Ų79107 Ų10742%0.42255%0.554SS.*Hα-helixtrans-67.9-25.7177.3-79.3-57.5000113.4Y236 N244Y236-N240 PolarHBondContact O-N 3.46Å; Y236-N240 PolarHBondContact O-ND2 3.23Å; N240-N244 PolarHBondContact O-ND2 3.3Å
241L55.2Low63.1Low128 Ų128110.1 Ų110.167%0.6756%0.562SS**Hα-helixtrans-79.6-26.1172.9-86.6-174.1000113.5P237 E238 I239P237-L241 PolarHBondContact O-N 3.03Å; E238-L241 PolarHBondContact O-N 2.7Å; I239-L241 VanDerWaalsContact C-N 3.3Å; I239-L241 PolarHBondContact O-N 3.27Å
242R57.7Low61.6Low193 Ų193116.6 Ų116.673%0.72860%0.596SS**Hα-helixtrans-78.6-24.4172.3-88.8-171.5-137.9-126.50.1114.2E238 I239 N244E238-R242 PolarHBondContact O-N 2.94Å; E238-R242 IonicContact OE2-NH2 3.56Å; I239-R242 PolarHBondContact O-N 3.21Å; R242-N244 VanDerWaalsContact C-N 3.33Å
243E59Low60.1Low146 Ų146121.6 Ų121.668%0.68261%0.614SS**THydrogen-bonded Turntrans-82.6-10.3174.6-78.5-177.6131.800113.4I239I239-E243 PolarHBondContact O-N 2.92Å; I239-E243 VanDerWaalsContact O-N 3.12Å
244N55.1Low58.6Low130 Ų130123.8 Ų123.870%0.69562%0.617SS**THydrogen-bonded Turntrans-11016.5-179-72.1-54.9000114.4N240 R242N240-N244 PolarHBondContact O-ND2 3.3Å; R242-N244 VanDerWaalsContact C-N 3.33Å
245V52.8Low57.6Low183 Ų183126.5 Ų126.5100%1.10963%0.628SS**  trans-125.80170.7178.50000109.1

Retrieved 245 of 245 residues in 386.7 ms (Link to these results)

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