A0A077Z8B1_TRITR Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A077Z8B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 463 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
1M35Very low44.7Very low243 Ų243127.5 Ų127.5100%1.19762%0.618SS**  0113.60-83.4179.5166.700108.9L3M1-L3 PolarHBondContact O-N 3.28Å
2R37Very low46.2Very low256 Ų256125.3 Ų125.397%0.96661%0.608SS**  trans-76.4106.9170.6-76.6-178.3179.3175.6-0.1107.8
3L39.3Very low48.1Very low105 Ų105128.8 Ų128.855%0.5562%0.619SS.*  trans-55.1140.1170.4-75.2161.3000109M1 T7M1-L3 PolarHBondContact O-N 3.28Å; L3-T7 HydrophobicContact CD2-CG2 3.9Å
4S51.8Low50.1Low66 Ų66133.1 Ų133.146%0.46263%0.625SS.*  trans-60146.2176.2860000110.2R6 T7 L8S4-R6 PolarHBondContact O-N 2.76Å; S4-R6 VanDerWaalsContact O-N 3.08Å; S4-T7 WeakPolarHBondContact O-CA 3.45Å; S4-T7 WeakPolarHBondContact O-CB 3.37Å; S4-T7 PolarHBondContact O-N 3.19Å; S4-T7 PolarHBondContact OG-N 2.94Å; S4-T7 PolarHBondContact OG-OG1 3.49Å; S4-L8 PolarHBondContact O-N 2.96Å
5H43.2Very low52.2Low145 Ų145125.3 Ų125.367%0.67159%0.589SS**Hα-helixtrans-54-32.1178.7-170.9-53.3000112.5L9H5-L9 VanDerWaalsContact CE1-CD1 3.45Å; H5-L9 WeakPolarHBondContact CE1-CD1 3.26Å; H5-L9 VanDerWaalsContact ND1-CD1 3.32Å; H5-L9 WeakPolarHBondContact ND1-CD1 3.32Å; H5-L9 WeakPolarHBondContact O-CG 3.49Å; H5-L9 PolarHBondContact O-N 3.08Å
6R42.1Very low54.2Low217 Ų217119.4 Ų119.482%0.81957%0.572SS**Hα-helixtrans-69.2-42.2174.8-77.1-174.7176.2-179.7-0.5112.4S4 L8 L9 S10S4-R6 PolarHBondContact O-N 2.76Å; S4-R6 VanDerWaalsContact O-N 3.08Å; R6-L8 VanDerWaalsContact C-N 3.31Å; R6-L9 PolarHBondContact O-N 3.04Å; R6-S10 WeakPolarHBondContact O-CB 3.38Å; R6-S10 PolarHBondContact O-N 2.98Å
7T47.8Very low56.4Low66 Ų66114.4 Ų114.441%0.40556%0.559SS.*Hα-helixtrans-64.1-39.8176-45.50000110.7L3 S4 S10 L11L3-T7 HydrophobicContact CD2-CG2 3.9Å; S4-T7 WeakPolarHBondContact O-CA 3.45Å; S4-T7 WeakPolarHBondContact O-CB 3.37Å; S4-T7 PolarHBondContact O-N 3.19Å; S4-T7 PolarHBondContact OG-N 2.94Å; S4-T7 PolarHBondContact OG-OG1 3.49Å; T7-S10 PolarHBondContact O-N 2.91Å; T7-L11 VanDerWaalsContact O-CB 3.3Å; T7-L11 WeakPolarHBondContact O-CB 3.41Å; T7-L11 PolarHBondContact O-N 3.42Å
8L39.4Very low58.4Low83 Ų83111.1 Ų111.144%0.43554%0.541SS..Hα-helixtrans-66.6-45.1178.8-157.6138.2000111.7S4 R6 S10 L11 M12S4-L8 PolarHBondContact O-N 2.96Å; R6-L8 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 2.95Å; L8-L11 PolarHBondContact O-N 2.89Å; L8-M12 HydrophobicContact CD2-CG 4.31Å; L8-M12 HydrophobicContact CD2-SD 3.65Å; L8-M12 WeakPolarHBondContact O-CB 3.45Å; L8-M12 VanDerWaalsContact O-CG 3.26Å; L8-M12 WeakPolarHBondContact O-CG 3.48Å; L8-M12 PolarHBondContact O-N 3.32Å
9L47.3Very low60.2Low85 Ų85105.6 Ų105.645%0.44552%0.515SS..Hα-helixtrans-62.7-41.1173.7-76.7172.1000113.3H5 R6 M12 K13H5-L9 VanDerWaalsContact CE1-CD1 3.45Å; H5-L9 WeakPolarHBondContact CE1-CD1 3.26Å; H5-L9 VanDerWaalsContact ND1-CD1 3.32Å; H5-L9 WeakPolarHBondContact ND1-CD1 3.32Å; H5-L9 WeakPolarHBondContact O-CG 3.49Å; H5-L9 PolarHBondContact O-N 3.08Å; R6-L9 PolarHBondContact O-N 3.04Å; L9-M12 PolarHBondContact O-N 3.19Å; L9-K13 WeakPolarHBondContact O-CB 3.47Å; L9-K13 WeakPolarHBondContact O-CG 3.5Å; L9-K13 PolarHBondContact O-N 3.45Å
10S52.8Low61.8Low78 Ų78104.5 Ų104.555%0.54551%0.512SS..Hα-helixtrans-62.6-44.1175.8165.20000111.4R6 T7 L8 K13 R14R6-S10 WeakPolarHBondContact O-CB 3.38Å; R6-S10 PolarHBondContact O-N 2.98Å; T7-S10 PolarHBondContact O-N 2.91Å; L8-S10 PolarHBondContact O-N 2.95Å; S10-K13 PolarHBondContact O-N 3.4Å; S10-R14 WeakPolarHBondContact O-CB 3.3Å; S10-R14 PolarHBondContact O-N 3.49Å
11L55.8Low63.3Low58 Ų58103.4 Ų103.430%0.30451%0.508SS..Hα-helixtrans-63.7-45.7177.2-169.372.1000111T7 L8 K13 R14 I15T7-L11 VanDerWaalsContact O-CB 3.3Å; T7-L11 WeakPolarHBondContact O-CB 3.41Å; T7-L11 PolarHBondContact O-N 3.42Å; L8-L11 PolarHBondContact O-N 2.89Å; L11-K13 PolarHBondContact O-N 2.94Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-I15 HydrophobicContact CG-CD1 4.06Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.36Å; L11-I15 PolarHBondContact O-N 2.88Å
12M63Low66.1Low101 Ų10192.9 Ų92.950%0.49846%0.455SS..Hα-helixtrans-61-42.5176.3-71.4-179.285.500112.3L8 L9 I15 G16L8-M12 HydrophobicContact CD2-CG 4.31Å; L8-M12 HydrophobicContact CD2-SD 3.65Å; L8-M12 WeakPolarHBondContact O-CB 3.45Å; L8-M12 VanDerWaalsContact O-CG 3.26Å; L8-M12 WeakPolarHBondContact O-CG 3.48Å; L8-M12 PolarHBondContact O-N 3.32Å; L9-M12 PolarHBondContact O-N 3.19Å; M12-I15 PolarHBondContact O-N 3.26Å; M12-G16 PolarHBondContact O-N 3.09Å
13K70.9Confident68.7Low172 Ų17281 Ų8175%0.74841%0.411SS*.Hα-helixtrans-63.2-40.8174.4-79.3-173.3177.5-174.20112.2L9 S10 L11 G16 G17L9-K13 WeakPolarHBondContact O-CB 3.47Å; L9-K13 WeakPolarHBondContact O-CG 3.5Å; L9-K13 PolarHBondContact O-N 3.45Å; S10-K13 PolarHBondContact O-N 3.4Å; L11-K13 PolarHBondContact O-N 2.94Å; K13-G16 PolarHBondContact O-N 2.92Å; K13-G17 PolarHBondContact O-N 2.99Å
14R75.5Confident71.2Confident188 Ų18882.1 Ų82.171%0.70941%0.414SS*.Hα-helixtrans-66.9-42.3179.4-172.1178179.2-173.9-1.3111.9S10 L11 G16 G17 K18S10-R14 WeakPolarHBondContact O-CB 3.3Å; S10-R14 PolarHBondContact O-N 3.49Å; L11-R14 PolarHBondContact O-N 3.47Å; R14-G16 VanDerWaalsContact C-N 3.34Å; R14-G17 PolarHBondContact O-N 3.4Å; R14-K18 PolarHBondContact O-N 3.38Å; R14-K18 VanDerWaalsContact O-N 3.14Å
15I82.5Confident73.1Confident17 Ų1785.3 Ų85.39%0.08742%0.417CS..Hα-helixtrans-62.2-45.9173.8-67.7167.6000109.4L11 M12 G17 K18 V19 F120 Q121L11-I15 HydrophobicContact CG-CD1 4.06Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.36Å; L11-I15 PolarHBondContact O-N 2.88Å; M12-I15 PolarHBondContact O-N 3.26Å; I15-G17 PolarHBondContact O-N 3.45Å; I15-K18 PolarHBondContact O-N 3.02Å; I15-V19 HydrophobicContact CG2-CG2 4.13Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.73Å; I15-F120 HydrophobicContact CG2-CD1 4.25Å; I15-Q121 HydrophobicContact CD1-CB 4.38Å; I15-Q121 HydrophobicContact CD1-CG 4.43Å
16G84.4Confident75.4Confident31 Ų3188.1 Ų88.132%0.3242%0.422SS..Hα-helixtrans-54.6-48.7176.300000113M12 K13 R14 K18 V19 D20M12-G16 PolarHBondContact O-N 3.09Å; K13-G16 PolarHBondContact O-N 2.92Å; R14-G16 VanDerWaalsContact C-N 3.34Å; G16-K18 PolarHBondContact O-N 2.92Å; G16-V19 PolarHBondContact O-N 3.02Å; G16-D20 PolarHBondContact O-N 2.85Å
17G90.4Very high77.7Confident34 Ų3478.7 Ų78.735%0.35139%0.389SS..Hα-helixtrans-59.3-44.2176.400000113.1K13 R14 I15 D20 D21K13-G17 PolarHBondContact O-N 2.99Å; R14-G17 PolarHBondContact O-N 3.4Å; I15-G17 PolarHBondContact O-N 3.45Å; G17-D20 WeakPolarHBondContact O-CB 3.44Å; G17-D20 PolarHBondContact O-N 3.22Å; G17-D21 VanDerWaalsContact O-CG 3.27Å; G17-D21 PolarHBondContact O-N 3.36Å
18K93Very high79.7Confident54 Ų5478.1 Ų78.124%0.23539%0.387CS..Hα-helixtrans-66.1-38.6176.9-77.8-70.5-172.2170.40112.9R14 I15 G16 D20 D21 Y22 F120 L124 E127R14-K18 PolarHBondContact O-N 3.38Å; R14-K18 VanDerWaalsContact O-N 3.14Å; I15-K18 PolarHBondContact O-N 3.02Å; G16-K18 PolarHBondContact O-N 2.92Å; K18-D20 VanDerWaalsContact C-N 3.27Å; K18-D20 PolarHBondContact O-N 3.5Å; K18-D21 PolarHBondContact O-N 3.14Å; K18-Y22 HydrophobicContact CD-CE2 4.43Å; K18-Y22 WeakPolarHBondContact O-CD2 3.5Å; K18-Y22 PolarHBondContact O-N 3.28Å; K18-F120 HydrophobicContact CB-CE1 3.86Å; K18-F120 HydrophobicContact CB-CZ 4.23Å; K18-L124 HydrophobicContact CB-CD1 4.22Å; K18-L124 HydrophobicContact CB-CD2 4.31Å; K18-L124 HydrophobicContact CD-CD2 4.23Å; K18-L124 HydrophobicContact CG-CD1 4.34Å; K18-L124 HydrophobicContact CG-CD2 4.25Å; K18-E127 WeakPolarHBondContact CE-OE2 3.32Å; K18-E127 IonicContact NZ-OE1 3.17Å; K18-E127 PolarHBondContact NZ-OE1 3.13Å; K18-E127 IonicContact NZ-OE2 2.69Å; K18-E127 PolarHBondContact NZ-OE2 3.16Å
19V92.6Very high82.1Confident8 Ų876.9 Ų76.95%0.04839%0.389CS..Hα-helixtrans-61.1-41.2174.8170.60000110.2I15 G16 Y22 A23 A90 M93 K94 F120I15-V19 HydrophobicContact CG2-CG2 4.13Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.45Å; I15-V19 PolarHBondContact O-N 2.73Å; G16-V19 PolarHBondContact O-N 3.02Å; V19-Y22 PolarHBondContact O-N 3.39Å; V19-A23 WeakPolarHBondContact O-CB 3.47Å; V19-A23 PolarHBondContact O-N 3.17Å; V19-A90 HydrophobicContact CG1-CB 4.27Å; V19-M93 HydrophobicContact CG1-CB 4.16Å; V19-M93 HydrophobicContact CG1-CE 4.5Å; V19-M93 HydrophobicContact CG2-CE 3.6Å; V19-M93 HydrophobicContact CG2-SD 3.94Å; V19-K94 HydrophobicContact CG1-CD 4.43Å; V19-K94 HydrophobicContact CG1-CG 4.45Å; V19-F120 HydrophobicContact CG2-CD1 3.8Å; V19-F120 HydrophobicContact CG2-CE1 3.57Å; V19-F120 HydrophobicContact CG2-CE2 4.42Å; V19-F120 HydrophobicContact CG2-CG 4.31Å; V19-F120 HydrophobicContact CG2-CZ 3.92Å
20D92.6Very high84.1Confident83 Ų8374.4 Ų74.444%0.44438%0.376SS..Hα-helixtrans-63.7-43.9176.9-71.425.9000111.6G16 G17 K18 Y22 A23 K94G16-D20 PolarHBondContact O-N 2.85Å; G17-D20 WeakPolarHBondContact O-CB 3.44Å; G17-D20 PolarHBondContact O-N 3.22Å; K18-D20 VanDerWaalsContact C-N 3.27Å; K18-D20 PolarHBondContact O-N 3.5Å; D20-Y22 PolarHBondContact O-N 3.49Å; D20-A23 PolarHBondContact O-N 2.69Å; D20-K94 WeakPolarHBondContact OD1-CE 3.16Å; D20-K94 IonicContact OD1-NZ 3.28Å; D20-K94 PolarHBondContact OD1-NZ 3.06Å; D20-K94 IonicContact OD2-NZ 3.04Å; D20-K94 PolarHBondContact OD2-NZ 3.19Å
21D93.2Very high85.9Confident82 Ų8271.1 Ų71.144%0.43935%0.353SS..Hα-helixtrans-61.3-43.1176.2-65.7-22.8000112.2G17 K18 Q24 Y25G17-D21 VanDerWaalsContact O-CG 3.27Å; G17-D21 PolarHBondContact O-N 3.36Å; K18-D21 PolarHBondContact O-N 3.14Å; D21-Q24 WeakPolarHBondContact O-CG 3.44Å; D21-Q24 PolarHBondContact O-NE2 3.28Å; D21-Y25 WeakPolarHBondContact O-CD2 3.5Å; D21-Y25 WeakPolarHBondContact O-CE2 3.47Å
22Y93.9Very high87.5Confident22 Ų2268.4 Ų68.49%0.08634%0.339CS..Hα-helixtrans-78.3-31.2-178.2-85.7-82000113.1K18 V19 D20 Q24 Y25 L86 V87 F120 L124 E127K18-Y22 HydrophobicContact CD-CE2 4.43Å; K18-Y22 WeakPolarHBondContact O-CD2 3.5Å; K18-Y22 PolarHBondContact O-N 3.28Å; V19-Y22 PolarHBondContact O-N 3.39Å; D20-Y22 PolarHBondContact O-N 3.49Å; Y22-Q24 PolarHBondContact O-N 3.04Å; Y22-Y25 PolarHBondContact O-N 3.4Å; Y22-L86 HydrophobicContact CD1-CB 3.54Å; Y22-L86 HydrophobicContact CD2-CB 4.29Å; Y22-L86 HydrophobicContact CE1-CB 3.57Å; Y22-L86 HydrophobicContact CE1-CD1 3.88Å; Y22-L86 HydrophobicContact CE1-CG 4.38Å; Y22-L86 HydrophobicContact CE2-CB 4.33Å; Y22-L86 HydrophobicContact CE2-CD1 3.9Å; Y22-L86 HydrophobicContact CG-CB 3.93Å; Y22-V87 HydrophobicContact CD1-CG2 3.79Å; Y22-V87 HydrophobicContact CE1-CG2 4.45Å; Y22-F120 HydrophobicContact CD2-CE2 4.4Å; Y22-F120 AromaticContact CD2-CZ 3.9Å; Y22-F120 HydrophobicContact CD2-CZ 3.9Å; Y22-F120 HydrophobicContact CG-CE2 4.45Å; Y22-F120 HydrophobicContact CG-CZ 4.34Å; Y22-L124 HydrophobicContact CE2-CD2 4.3Å; Y22-E127 VanDerWaalsContact CE2-OE1 3.32Å; Y22-E127 WeakPolarHBondContact CE2-OE1 3.46Å; Y22-E127 WeakPolarHBondContact OH-CG 3.46Å; Y22-E127 PolarHBondContact OH-OE1 2.77Å
23A92.1Very high88.6Confident5 Ų566.2 Ų66.24%0.04133%0.327CS..Hα-helixtrans-72.5-12.6-178.800000114.1V19 D20 Y25 A90 K94 Y422V19-A23 WeakPolarHBondContact O-CB 3.47Å; V19-A23 PolarHBondContact O-N 3.17Å; D20-A23 PolarHBondContact O-N 2.69Å; A23-Y25 VanDerWaalsContact C-N 3.28Å; A23-A90 HydrophobicContact CB-CB 4.07Å; A23-K94 HydrophobicContact CB-CB 4.41Å; A23-K94 HydrophobicContact CB-CD 4.37Å; A23-K94 HydrophobicContact CB-CG 3.37Å; A23-Y422 HydrophobicContact CB-CD1 4.46Å
24Q91Very high89.3Confident130 Ų13062 Ų6261%0.60731%0.313SS*.THydrogen-bonded Turntrans-73.6-23172.883.7-167.8-54.500112.5D21 Y22D21-Q24 WeakPolarHBondContact O-CG 3.44Å; D21-Q24 PolarHBondContact O-NE2 3.28Å; Y22-Q24 PolarHBondContact O-N 3.04Å
25Y91.8Very high89.7Confident133 Ų13353.5 Ų53.552%0.52228%0.282SS..SBendtrans-83.7143.2179-60-73.7000110.6D21 Y22 A23 V87 N91D21-Y25 WeakPolarHBondContact O-CD2 3.5Å; D21-Y25 WeakPolarHBondContact O-CE2 3.47Å; Y22-Y25 PolarHBondContact O-N 3.4Å; A23-Y25 VanDerWaalsContact C-N 3.28Å; Y25-V87 HydrophobicContact CD2-CG2 4.5Å; Y25-V87 WeakPolarHBondContact O-CG1 3.31Å; Y25-N91 PolarHBondContact O-ND2 2.91Å
26R90.4Very high89.6Confident203 Ų20352.8 Ų52.877%0.76628%0.278SS*.PPolyproline II helixtrans-83.1136.8173.4-68.2-171.7176.8-172.80.7109.6A421R26-A421 HydrophobicContact CG-CB 4.41Å
27P91.7Very high89.2Confident20 Ų2054.4 Ų54.413%0.1328%0.279CS..PPolyproline II helixtrans-54.8140.6169.9-26.335.2000112A29 E84 V87 R88 I419P27-A29 PolarHBondContact O-N 3.34Å; P27-E84 WeakPolarHBondContact CA-OE1 3.44Å; P27-V87 HydrophobicContact CG-CG1 4.33Å; P27-R88 HydrophobicContact CB-CG 4.07Å; P27-R88 HydrophobicContact CG-CG 4.36Å; P27-I419 HydrophobicContact CB-CB 4.3Å; P27-I419 HydrophobicContact CB-CD1 4.2Å; P27-I419 HydrophobicContact CB-CG2 3.73Å; P27-I419 HydrophobicContact CG-CG2 3.98Å
28S90.1Very high88.3Confident53 Ų5356.7 Ų56.737%0.37128%0.28SS..  trans-86.2108.5177-44.70000108.8E84 R88S28-E84 VanDerWaalsContact CB-OE2 3.28Å; S28-E84 WeakPolarHBondContact CB-OE2 3.35Å; S28-E84 PolarHBondContact N-OE1 3.24Å; S28-E84 PolarHBondContact N-OE2 3.13Å; S28-E84 PolarHBondContact OG-OE2 3.43Å; S28-R88 PolarHBondContact O-NH2 3.23Å
29A90Very high86.9Confident57 Ų5754.3 Ų54.347%0.47127%0.271SS..  trans-74.7130.3175.800000110.9P27 E417 I419P27-A29 PolarHBondContact O-N 3.34Å; A29-E417 HydrophobicContact CB-CB 4.12Å; A29-E417 WeakPolarHBondContact CB-O 3.48Å; A29-I419 HydrophobicContact CB-CD1 4.27Å
30L88.7Confident85.4Confident34 Ų3458.4 Ų58.418%0.17829%0.288CS..  trans-105.8143.2175.5-58.7176.8000110.7N34 L35 F80 L195 E417L30-N34 HydrophobicContact CB-CB 4.48Å; L30-L35 HydrophobicContact CB-CD2 4.23Å; L30-L35 HydrophobicContact CB-CG 4.12Å; L30-L35 HydrophobicContact CD1-CD2 3.61Å; L30-L35 HydrophobicContact CD1-CG 4.38Å; L30-F80 HydrophobicContact CD1-CE1 3.88Å; L30-F80 HydrophobicContact CD1-CZ 3.92Å; L30-F80 HydrophobicContact CD2-CZ 4.23Å; L30-F80 HydrophobicContact CG-CZ 4.31Å; L30-L195 HydrophobicContact CD1-CD2 3.85Å; L30-E417 WeakPolarHBondContact CB-OE2 3.47Å; L30-E417 PolarHBondContact N-OE2 2.94Å; L30-E417 VanDerWaalsContact O-CG 3.3Å; L30-E417 WeakPolarHBondContact O-CG 3.49Å; L30-E417 PolarHBondContact O-N 2.87Å
31S90.1Very high83.4Confident9 Ų958.7 Ų58.76%0.06329%0.293CS..BIsolated β-bridgetrans-79.6157.4165.566.90000111.8Q33 N34 L35 A415S31-Q33 PolarHBondContact O-N 3.26Å; S31-N34 PolarHBondContact N-OD1 2.84Å; S31-N34 WeakPolarHBondContact O-CB 3.47Å; S31-N34 PolarHBondContact O-N 2.73Å; S31-N34 PolarHBondContact OG-N 3.12Å; S31-N34 PolarHBondContact OG-OD1 3.35Å; S31-L35 WeakPolarHBondContact O-CG 3.45Å; S31-L35 PolarHBondContact O-N 3.46Å; S31-A415 CarbonylContact C-O 3.48Å; S31-A415 WeakPolarHBondContact CA-O 3.4Å
32M89Confident81.1Confident1 Ų159.6 Ų59.61%0.00529%0.293CS..Hα-helixtrans-54.5-37.7168.2-72.4-165.2175.800110.9L35 I36 V285 Y286 F388 A412 A415M32-L35 PolarHBondContact O-N 3.15Å; M32-I36 WeakPolarHBondContact O-CB 3.46Å; M32-I36 WeakPolarHBondContact O-CD1 3.26Å; M32-I36 VanDerWaalsContact O-CG1 3.29Å; M32-I36 WeakPolarHBondContact O-CG1 3.06Å; M32-I36 PolarHBondContact O-N 3.38Å; M32-V285 HydrophobicContact CB-CG1 4.24Å; M32-V285 HydrophobicContact SD-CG1 4.14Å; M32-V285 VanDerWaalsContact SD-O 3.35Å; M32-Y286 HydrophobicContact CE-CD2 3.32Å; M32-Y286 HydrophobicContact CE-CE2 3.45Å; M32-Y286 VanDerWaalsContact CE-CE2 3.45Å; M32-Y286 HydrophobicContact CE-CG 4.06Å; M32-Y286 HydrophobicContact SD-CD2 4.07Å; M32-F388 HydrophobicContact CE-CB 3.89Å; M32-F388 HydrophobicContact CE-CD1 3.96Å; M32-F388 HydrophobicContact CE-CD2 3.13Å; M32-F388 HydrophobicContact CE-CE1 4.25Å; M32-F388 HydrophobicContact CE-CE2 3.47Å; M32-F388 VanDerWaalsContact CE-CE2 3.47Å; M32-F388 HydrophobicContact CE-CG 3.39Å; M32-F388 HydrophobicContact CE-CZ 4.03Å; M32-F388 HydrophobicContact CG-CD1 3.88Å; M32-F388 HydrophobicContact CG-CE1 3.83Å; M32-F388 HydrophobicContact CG-CG 4.28Å; M32-F388 HydrophobicContact CG-CZ 4.16Å; M32-A412 HydrophobicContact CB-CB 4.16Å; M32-A415 HydrophobicContact CB-CB 4.09Å; M32-A415 HydrophobicContact CE-CB 4.4Å; M32-A415 HydrophobicContact CG-CB 3.7Å; M32-A415 PolarHBondContact N-O 3.14Å; M32-A415 HydrophobicContact SD-CB 3.81Å
33Q86.6Confident78.6Confident55 Ų5565.7 Ų65.726%0.25732%0.32SS..Hα-helixtrans-61.4-44.9173.9-168.864.549.700111.7S31 L35 I36 D37 A412 V413S31-Q33 PolarHBondContact O-N 3.26Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 2.97Å; Q33-I36 PolarHBondContact O-N 3.42Å; Q33-D37 WeakPolarHBondContact CG-OD2 3.44Å; Q33-D37 PolarHBondContact NE2-OD1 3.26Å; Q33-D37 WeakPolarHBondContact O-CB 3.32Å; Q33-D37 PolarHBondContact O-N 3.23Å; Q33-A412 HydrophobicContact CB-CB 4.3Å; Q33-A412 PolarHBondContact N-O 3.34Å; Q33-V413 HydrophobicContact CB-CG1 3.8Å; Q33-V413 HydrophobicContact CG-CG1 3.76Å
34N85.5Confident75.7Confident82 Ų8268.8 Ų68.844%0.43935%0.352SS..Hα-helixtrans-61.8-41.2176.7-58.8133.1000112.2L30 S31 I36 F38L30-N34 HydrophobicContact CB-CB 4.48Å; S31-N34 PolarHBondContact N-OD1 2.84Å; S31-N34 WeakPolarHBondContact O-CB 3.47Å; S31-N34 PolarHBondContact O-N 2.73Å; S31-N34 PolarHBondContact OG-N 3.12Å; S31-N34 PolarHBondContact OG-OD1 3.35Å; N34-I36 VanDerWaalsContact C-N 3.31Å; N34-I36 PolarHBondContact O-N 3.05Å; N34-F38 VanDerWaalsContact O-CB 3.23Å; N34-F38 WeakPolarHBondContact O-CB 3.35Å; N34-F38 PolarHBondContact O-N 2.96Å
35L83.7Confident72.7Confident11 Ų1165.6 Ų65.66%0.05834%0.344CS..Hα-helixtrans-64.2-37.9177.4-68.2169.1000111.8L30 S31 M32 Q33 G39 M194 Q198 I237 F388L30-L35 HydrophobicContact CB-CD2 4.23Å; L30-L35 HydrophobicContact CB-CG 4.12Å; L30-L35 HydrophobicContact CD1-CD2 3.61Å; L30-L35 HydrophobicContact CD1-CG 4.38Å; S31-L35 WeakPolarHBondContact O-CG 3.45Å; S31-L35 PolarHBondContact O-N 3.46Å; M32-L35 PolarHBondContact O-N 3.15Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-L35 PolarHBondContact O-N 2.97Å; L35-G39 PolarHBondContact O-N 3.49Å; L35-M194 HydrophobicContact CD1-CE 3.67Å; L35-Q198 HydrophobicContact CD2-CG 4.43Å; L35-I237 HydrophobicContact CB-CD1 3.53Å; L35-I237 HydrophobicContact CD1-CD1 3.96Å; L35-I237 HydrophobicContact CG-CD1 4.39Å; L35-F388 HydrophobicContact CD1-CE1 4.48Å; L35-F388 HydrophobicContact CD1-CZ 4.36Å
36I81Confident69.6Low1 Ų165.6 Ų65.61%0.00536%0.358CS..Hα-helixtrans-72.1-47.6176.4-76.1163.7000111.9M32 Q33 N34 F38 G39 K40 I234 I237 V285M32-I36 WeakPolarHBondContact O-CB 3.46Å; M32-I36 WeakPolarHBondContact O-CD1 3.26Å; M32-I36 VanDerWaalsContact O-CG1 3.29Å; M32-I36 WeakPolarHBondContact O-CG1 3.06Å; M32-I36 PolarHBondContact O-N 3.38Å; Q33-I36 PolarHBondContact O-N 3.42Å; N34-I36 VanDerWaalsContact C-N 3.31Å; N34-I36 PolarHBondContact O-N 3.05Å; I36-F38 PolarHBondContact O-N 3.21Å; I36-G39 CarbonylContact O-C 3.56Å; I36-G39 WeakPolarHBondContact O-CA 3.48Å; I36-G39 PolarHBondContact O-N 3.21Å; I36-K40 HydrophobicContact CG2-CD 3.47Å; I36-K40 VanDerWaalsContact CG2-CD 3.47Å; I36-K40 VanDerWaalsContact CG2-CE 3.47Å; I36-K40 HydrophobicContact CG2-CG 3.83Å; I36-K40 WeakPolarHBondContact O-CB 3.48Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 2.89Å; I36-I234 HydrophobicContact CG1-CD1 4.39Å; I36-I234 HydrophobicContact CG2-CD1 3.93Å; I36-I237 HydrophobicContact CD1-CG2 3.77Å; I36-I237 HydrophobicContact CG1-CD1 4.3Å; I36-I237 HydrophobicContact CG1-CG2 3.81Å; I36-V285 HydrophobicContact CD1-CB 4.29Å; I36-V285 HydrophobicContact CD1-CG1 3.08Å; I36-V285 HydrophobicContact CD1-CG2 4.24Å; I36-V285 HydrophobicContact CG1-CG1 4.45Å
37D76.7Confident66.7Low66 Ų6661.9 Ų61.935%0.35335%0.351SS..Hα-helixtrans-59.7-43.2180-70.5-18.4000109.3Q33 G39 K40 T41Q33-D37 WeakPolarHBondContact CG-OD2 3.44Å; Q33-D37 PolarHBondContact NE2-OD1 3.26Å; Q33-D37 WeakPolarHBondContact O-CB 3.32Å; Q33-D37 PolarHBondContact O-N 3.23Å; D37-G39 PolarHBondContact O-N 3.39Å; D37-K40 PolarHBondContact O-N 3.18Å; D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 3.39Å; D37-T41 PolarHBondContact O-OG1 3.28Å
38F70.3Confident63.5Low81 Ų8171.8 Ų71.836%0.35539%0.386SS..Hα-helixtrans-53-38.7173.5-172.2-94.3000112.7N34 I36 E73 A76 F203N34-F38 VanDerWaalsContact O-CB 3.23Å; N34-F38 WeakPolarHBondContact O-CB 3.35Å; N34-F38 PolarHBondContact O-N 2.96Å; I36-F38 PolarHBondContact O-N 3.21Å; F38-E73 WeakPolarHBondContact CZ-O 3.33Å; F38-A76 HydrophobicContact CE2-CB 3.84Å; F38-A76 HydrophobicContact CZ-CB 4.09Å; F38-F203 HydrophobicContact CE1-CE2 4.47Å; F38-F203 HydrophobicContact CE1-CZ 4.42Å
39G63.6Low60.6Low5 Ų576.9 Ų76.95%0.05241%0.408CS..Hα-helixtrans-89.8-16.9175.600000116.2L35 I36 D37L35-G39 PolarHBondContact O-N 3.49Å; I36-G39 CarbonylContact O-C 3.56Å; I36-G39 WeakPolarHBondContact O-CA 3.48Å; I36-G39 PolarHBondContact O-N 3.21Å; D37-G39 PolarHBondContact O-N 3.39Å
40K61.5Low57.6Low93 Ų9380 Ų8040%0.40442%0.422SS..Hα-helixtrans-95.2-22.9-178.4-81-169.9-177.1172.80114I36 D37 F42 K43 I234I36-K40 HydrophobicContact CG2-CD 3.47Å; I36-K40 VanDerWaalsContact CG2-CD 3.47Å; I36-K40 VanDerWaalsContact CG2-CE 3.47Å; I36-K40 HydrophobicContact CG2-CG 3.83Å; I36-K40 WeakPolarHBondContact O-CB 3.48Å; I36-K40 WeakPolarHBondContact O-CG 3.48Å; I36-K40 PolarHBondContact O-N 2.89Å; D37-K40 PolarHBondContact O-N 3.18Å; K40-F42 PolarHBondContact O-N 3.06Å; K40-K43 PolarHBondContact O-N 3.36Å; K40-I234 HydrophobicContact CD-CD1 4.01Å; K40-I234 HydrophobicContact CG-CD1 3.48Å; K40-I234 VanDerWaalsContact CG-CD1 3.48Å
41T50.5Low54.7Low90 Ų9083.6 Ų83.655%0.55245%0.45SS*.THydrogen-bonded Turntrans-53.8-14.3-165.1-590000114.2D37D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 3.39Å; D37-T41 PolarHBondContact O-OG1 3.28Å
42F46Very low51.8Low100 Ų10088.6 Ų88.644%0.43949%0.485SS..THydrogen-bonded Turntrans-127.810.4170.9-68.8-83.9000118.1K40 G44 C45K40-F42 PolarHBondContact O-N 3.06Å; F42-G44 PolarHBondContact O-N 3.47Å; F42-C45 HydrophobicContact CD1-CB 4.45Å
43K40.8Very low49.2Very low150 Ų15096.4 Ų96.465%0.65253%0.525SS*.THydrogen-bonded Turntrans-67.9-14.6168.6-89-173.3178.4179.30113K40 S231K40-K43 PolarHBondContact O-N 3.36Å; K43-S231 PolarHBondContact NZ-O 3.4Å
44G30.7Very low46.5Very low70 Ų7097.5 Ų97.572%0.72254%0.544SS*.THydrogen-bonded Turntrans-112.43.1-171.300000118.1F42 V46F42-G44 PolarHBondContact O-N 3.47Å; G44-V46 PolarHBondContact O-N 2.97Å; G44-V46 VanDerWaalsContact O-N 3.09Å
45C27.5Very low43.9Very low64 Ų64100.3 Ų100.343%0.43256%0.559SS.*  trans-87.771.5-179-145.50000111.7F42F42-C45 HydrophobicContact CD1-CB 4.45Å
46V27.5Very low41.4Very low133 Ų133110.2 Ų110.281%0.80660%0.597SS**  trans-9285.5161.6-179.50000106.9G44 R48G44-V46 PolarHBondContact O-N 2.97Å; G44-V46 VanDerWaalsContact O-N 3.09Å; V46-R48 PolarHBondContact O-N 2.81Å
47I29Very low38.9Very low124 Ų124121.4 Ų121.464%0.63664%0.639SS**  trans-72.3109.9171-55.9-179.6000107.3L49I47-L49 HydrophobicContact CG2-CD1 4.44Å; I47-L49 HydrophobicContact CG2-CG 3.95Å; I47-L49 PolarHBondContact O-N 2.8Å
48R24.4Very low36.6Very low228 Ų228128.2 Ų128.286%0.8667%0.666SS**  trans-61.8100.1161.8-83.9-179.7172.6179.7-2.1108.3V46V46-R48 PolarHBondContact O-N 2.81Å
49L29.8Very low34.8Very low160 Ų160130.3 Ų130.384%0.83868%0.679SS**  trans-104.392.6159.4-76.9169.8000108.3I47I47-L49 HydrophobicContact CG2-CD1 4.44Å; I47-L49 HydrophobicContact CG2-CG 3.95Å; I47-L49 PolarHBondContact O-N 2.8Å
50T27.1Very low33.2Very low123 Ų123135.8 Ų135.876%0.75570%0.704SS**  trans-81.9109.1161.948.60000108
51S28.5Very low31.9Very low109 Ų109138.4 Ų138.476%0.76272%0.721SS**  trans165.4119.8139.343.70000111.6
52S28.9Very low30.9Very low114 Ų114136.7 Ų136.780%0.79771%0.713SS**  trans38.794.2143.2-178.40000118.1
53I34.5Very low30.1Very low165 Ų165137.8 Ų137.885%0.84672%0.721SS**  trans-146.6118.5134.3-85.8125.1000107
54A29.5Very low29.6Very low79 Ų79133.5 Ų133.565%0.65371%0.707SS**  trans-75.9152.1170.800000110
55D30.6Very low29.4Very low141 Ų141132.6 Ų132.675%0.75469%0.69SS**  trans76.1130.9168.9-57.8-34.1000117.7
56Y30.2Very low29.7Very low219 Ų219137.9 Ų137.986%0.85970%0.701SS**SBendtrans94.199.3178.2-62.9-86.4000118.2
57R29.3Very low29.9Very low235 Ų235137.4 Ų137.489%0.88769%0.688SS**  trans42.493.3147.8-64.2-177.5-176.1-178.31.1116.7I59R57-I59 PolarHBondContact O-N 3.24Å
58F28.3Very low30Very low209 Ų209136.6 Ų136.692%0.91768%0.684SS**  trans-61.491.8166.3-91.4-100.4000111.6
59I33.4Very low30.7Very low126 Ų126126 Ų12665%0.64665%0.647SS**  trans-84.3119.9143-62.7175.9000104.8R57 L61 V64R57-I59 PolarHBondContact O-N 3.24Å; I59-L61 PolarHBondContact O-N 3.26Å; I59-V64 HydrophobicContact CG2-CG2 3.72Å
60E30.4Very low31.9Very low120 Ų120125.7 Ų125.756%0.56163%0.634SS**  trans-52.1108.2174.9-97.1-153.416200110S62 M63 V64E60-S62 WeakPolarHBondContact CB-OG 3.29Å; E60-S62 PolarHBondContact O-N 3.06Å; E60-S62 VanDerWaalsContact O-N 3.1Å; E60-S62 PolarHBondContact OE2-OG 3.34Å; E60-M63 HydrophobicContact CB-CB 4.25Å; E60-M63 WeakPolarHBondContact O-CA 3.45Å; E60-M63 WeakPolarHBondContact O-CB 3.42Å; E60-M63 PolarHBondContact O-N 2.89Å; E60-V64 PolarHBondContact O-N 3.01Å
61L33.9Very low33.3Very low147 Ų147123.7 Ų123.777%0.7762%0.615SS**Hα-helixtrans-56.6-23.9175.5-85.7150.8000112.3I59 M63 V64 S65I59-L61 PolarHBondContact O-N 3.26Å; L61-M63 VanDerWaalsContact C-N 3.34Å; L61-V64 PolarHBondContact O-N 3.14Å; L61-S65 WeakPolarHBondContact O-CB 3.1Å; L61-S65 PolarHBondContact O-N 2.86Å
62S28.3Very low34.7Very low54 Ų54121.1 Ų121.138%0.37860%0.6SS.*Hα-helixtrans-61.6-38.4170.357.30000112.3E60 R66E60-S62 WeakPolarHBondContact CB-OG 3.29Å; E60-S62 PolarHBondContact O-N 3.06Å; E60-S62 VanDerWaalsContact O-N 3.1Å; E60-S62 PolarHBondContact OE2-OG 3.34Å; S62-R66 WeakPolarHBondContact O-CB 3.41Å; S62-R66 WeakPolarHBondContact O-CG 3.27Å; S62-R66 PolarHBondContact O-N 3.27Å
63M29.8Very low36.6Very low123 Ų123116.6 Ų116.661%0.60657%0.567SS**Hα-helixtrans-73-40.3178-169179.6-75.800111E60 L61 R66 F67E60-M63 HydrophobicContact CB-CB 4.25Å; E60-M63 WeakPolarHBondContact O-CA 3.45Å; E60-M63 WeakPolarHBondContact O-CB 3.42Å; E60-M63 PolarHBondContact O-N 2.89Å; L61-M63 VanDerWaalsContact C-N 3.34Å; M63-R66 PolarHBondContact O-N 3.18Å; M63-F67 VanDerWaalsContact O-CB 3.31Å; M63-F67 WeakPolarHBondContact O-CB 3.49Å; M63-F67 PolarHBondContact O-N 3.43Å
64V29.4Very low38.7Very low60 Ų60110 Ų11036%0.36453%0.532SS..Hα-helixtrans-65.6-43.5176.2-179.70000111I59 E60 L61 F67 L68I59-V64 HydrophobicContact CG2-CG2 3.72Å; E60-V64 PolarHBondContact O-N 3.01Å; L61-V64 PolarHBondContact O-N 3.14Å; V64-F67 PolarHBondContact O-N 2.93Å; V64-L68 HydrophobicContact CG1-CD1 3.75Å; V64-L68 HydrophobicContact CG1-CG 4.18Å; V64-L68 WeakPolarHBondContact O-CB 3.39Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.5Å; V64-L68 PolarHBondContact O-N 3.02Å
65S27.4Very low41.4Very low51 Ų51111.3 Ų111.336%0.35752%0.523SS..Hα-helixtrans-61.6-44.2174.3174.80000112L61 F67 G69L61-S65 WeakPolarHBondContact O-CB 3.1Å; L61-S65 PolarHBondContact O-N 2.86Å; S65-F67 VanDerWaalsContact C-N 3.34Å; S65-F67 PolarHBondContact O-N 3.41Å; S65-G69 PolarHBondContact O-N 3.28Å
66R33.2Very low44Very low176 Ų176106.7 Ų106.766%0.66451%0.505SS*.Hα-helixtrans-60.5-41.7174-77.8172.8179.9178.12.2112.4S62 M63 R70S62-R66 WeakPolarHBondContact O-CB 3.41Å; S62-R66 WeakPolarHBondContact O-CG 3.27Å; S62-R66 PolarHBondContact O-N 3.27Å; M63-R66 PolarHBondContact O-N 3.18Å; R66-R70 WeakPolarHBondContact O-CB 3.47Å; R66-R70 WeakPolarHBondContact O-CG 3.27Å; R66-R70 PolarHBondContact O-N 2.9Å
67F33Very low46.6Very low123 Ų12396.7 Ų96.754%0.53947%0.467SS..Hα-helixtrans-73.3-41.5-178.4-167.9-111000112.6M63 V64 S65 K71M63-F67 VanDerWaalsContact O-CB 3.31Å; M63-F67 WeakPolarHBondContact O-CB 3.49Å; M63-F67 PolarHBondContact O-N 3.43Å; V64-F67 PolarHBondContact O-N 2.93Å; S65-F67 VanDerWaalsContact C-N 3.34Å; S65-F67 PolarHBondContact O-N 3.41Å; F67-K71 HydrophobicContact CD1-CD 4.39Å; F67-K71 HydrophobicContact CE1-CD 4.18Å; F67-K71 VanDerWaalsContact CZ-CE 3.46Å; F67-K71 WeakPolarHBondContact O-CG 3.18Å; F67-K71 PolarHBondContact O-N 2.99Å
68L30Very low49.6Very low106 Ų10685.5 Ų85.556%0.55542%0.424SS*.Hα-helixtrans-67.9-39.5174.5-69.6175000111.7V64 K71 A72V64-L68 HydrophobicContact CG1-CD1 3.75Å; V64-L68 HydrophobicContact CG1-CG 4.18Å; V64-L68 WeakPolarHBondContact O-CB 3.39Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.5Å; V64-L68 PolarHBondContact O-N 3.02Å; L68-K71 PolarHBondContact O-N 2.9Å; L68-A72 PolarHBondContact O-N 3.47Å
69G39.8Very low52.5Low7 Ų777.9 Ų77.97%0.07239%0.393CS..Hα-helixtrans-61.3-48.3174.900000112.1S65 K71 A72 E73S65-G69 PolarHBondContact O-N 3.28Å; G69-K71 VanDerWaalsContact C-N 3.33Å; G69-K71 PolarHBondContact O-N 3.1Å; G69-A72 PolarHBondContact O-N 3.35Å; G69-A72 VanDerWaalsContact O-N 3.15Å; G69-E73 WeakPolarHBondContact O-CG 3.45Å; G69-E73 PolarHBondContact O-N 3.03Å
70R55.2Low55.2Low153 Ų15375.1 Ų75.158%0.57738%0.377SS*.Hα-helixtrans-56.2-45174.3-81.9-173.7177.7-159.7-1112.5R66 A72 E73 E74R66-R70 WeakPolarHBondContact O-CB 3.47Å; R66-R70 WeakPolarHBondContact O-CG 3.27Å; R66-R70 PolarHBondContact O-N 2.9Å; R70-A72 VanDerWaalsContact C-N 3.34Å; R70-A72 PolarHBondContact O-N 2.93Å; R70-E73 PolarHBondContact O-N 3.05Å; R70-E74 VanDerWaalsContact O-CB 3.25Å; R70-E74 WeakPolarHBondContact O-CB 3.47Å; R70-E74 PolarHBondContact O-N 3.46Å
71K55.7Low58.1Low80 Ų8069.6 Ų69.635%0.34835%0.351SS..Hα-helixtrans-65.1-36178.2-74.7-178175.5-174.90113F67 L68 G69 K75F67-K71 HydrophobicContact CD1-CD 4.39Å; F67-K71 HydrophobicContact CE1-CD 4.18Å; F67-K71 VanDerWaalsContact CZ-CE 3.46Å; F67-K71 WeakPolarHBondContact O-CG 3.18Å; F67-K71 PolarHBondContact O-N 2.99Å; L68-K71 PolarHBondContact O-N 2.9Å; G69-K71 VanDerWaalsContact C-N 3.33Å; G69-K71 PolarHBondContact O-N 3.1Å; K71-K75 VanDerWaalsContact O-CB 3.3Å; K71-K75 WeakPolarHBondContact O-CB 3.21Å; K71-K75 PolarHBondContact O-N 2.97Å
72A57.2Low60.9Low55 Ų5564.2 Ų64.246%0.45532%0.32SS..Hα-helixtrans-70.1-42.8176.800000111.6L68 G69 R70 K75 A76L68-A72 PolarHBondContact O-N 3.47Å; G69-A72 PolarHBondContact O-N 3.35Å; G69-A72 VanDerWaalsContact O-N 3.15Å; R70-A72 VanDerWaalsContact C-N 3.34Å; R70-A72 PolarHBondContact O-N 2.93Å; A72-K75 PolarHBondContact O-N 2.59Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.08Å
73E69.3Low64Low20 Ų2067.2 Ų67.29%0.09333%0.327CS..Hα-helixtrans-61.8-45.6174.1-70.9173.1-168.300111F38 G69 R70 K75 A76 S77 H202 F203F38-E73 WeakPolarHBondContact CZ-O 3.33Å; G69-E73 WeakPolarHBondContact O-CG 3.45Å; G69-E73 PolarHBondContact O-N 3.03Å; R70-E73 PolarHBondContact O-N 3.05Å; E73-K75 PolarHBondContact O-N 3.05Å; E73-A76 PolarHBondContact O-N 2.54Å; E73-S77 WeakPolarHBondContact O-CB 3.18Å; E73-S77 PolarHBondContact O-N 3.04Å; E73-H202 IonicContact OE2-CD2 2.85Å; E73-H202 IonicContact OE2-CE1 3.89Å; E73-H202 IonicContact OE2-NE2 3.8Å; E73-H202 PolarHBondContact OE2-NE2 3.19Å; E73-F203 VanDerWaalsContact C-CZ 3.49Å; E73-F203 HydrophobicContact CB-CE1 4.02Å; E73-F203 HydrophobicContact CB-CZ 3.91Å
74E78.7Confident67Low26 Ų2661.8 Ų61.812%0.12130%0.3CS..Hα-helixtrans-62.4-45.6179.2-168.1-179.4177.500111.3R70 A76 S77 F78 Y131 S136 F203R70-E74 VanDerWaalsContact O-CB 3.25Å; R70-E74 WeakPolarHBondContact O-CB 3.47Å; R70-E74 PolarHBondContact O-N 3.46Å; E74-A76 VanDerWaalsContact C-N 3.35Å; E74-A76 PolarHBondContact O-N 3.25Å; E74-S77 PolarHBondContact O-N 3Å; E74-F78 WeakPolarHBondContact O-CB 3.44Å; E74-F78 PolarHBondContact O-N 3.14Å; E74-Y131 HydrophobicContact CB-CE2 4.47Å; E74-Y131 HydrophobicContact CG-CE2 4.13Å; E74-Y131 PolarHBondContact OE2-OH 3.42Å; E74-S136 VanDerWaalsContact CD-OG 3.24Å; E74-S136 VanDerWaalsContact CG-OG 3.28Å; E74-S136 WeakPolarHBondContact CG-OG 3.4Å; E74-S136 WeakPolarHBondContact OE1-CB 3.47Å; E74-S136 PolarHBondContact OE1-OG 3.21Å; E74-F203 HydrophobicContact CB-CD1 3.64Å; E74-F203 HydrophobicContact CB-CE1 3.44Å; E74-F203 VanDerWaalsContact CB-CE1 3.44Å; E74-F203 HydrophobicContact CB-CG 4.35Å; E74-F203 HydrophobicContact CB-CZ 4.03Å; E74-F203 HydrophobicContact CG-CD1 3.75Å; E74-F203 HydrophobicContact CG-CE1 4.04Å; E74-F203 HydrophobicContact CG-CG 4.03Å; E74-F203 VanDerWaalsContact N-CE1 3.3Å
75K86.2Confident70.2Confident107 Ų10759 Ų5947%0.46528%0.283SS..Hα-helixtrans-58.9-44173.6-179.7173.3-178.6-1800112.2K71 A72 E73 N79 Y131K71-K75 VanDerWaalsContact O-CB 3.3Å; K71-K75 WeakPolarHBondContact O-CB 3.21Å; K71-K75 PolarHBondContact O-N 2.97Å; A72-K75 PolarHBondContact O-N 2.59Å; E73-K75 PolarHBondContact O-N 3.05Å; K75-N79 WeakPolarHBondContact CG-ND2 3.13Å; K75-N79 WeakPolarHBondContact O-CB 3.47Å; K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 3.11Å; K75-N79 PolarHBondContact O-ND2 2.79Å; K75-Y131 HydrophobicContact CB-CD1 3.71Å; K75-Y131 HydrophobicContact CB-CD2 3.99Å; K75-Y131 HydrophobicContact CB-CE1 3.74Å; K75-Y131 HydrophobicContact CB-CE2 4Å; K75-Y131 HydrophobicContact CB-CG 3.82Å; K75-Y131 HydrophobicContact CD-CD1 3.77Å; K75-Y131 HydrophobicContact CD-CE1 4.38Å; K75-Y131 HydrophobicContact CD-CG 4.16Å; K75-Y131 HydrophobicContact CG-CD1 3.68Å; K75-Y131 HydrophobicContact CG-CD2 4.19Å; K75-Y131 HydrophobicContact CG-CE1 4.24Å; K75-Y131 HydrophobicContact CG-CG 3.64Å
76A85Confident73.5Confident44 Ų4456.5 Ų56.536%0.36427%0.266SS..Hα-helixtrans-65-42.3178.100000111.1F38 A72 E73 E74 N79 F80F38-A76 HydrophobicContact CE2-CB 3.84Å; F38-A76 HydrophobicContact CZ-CB 4.09Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.08Å; E73-A76 PolarHBondContact O-N 2.54Å; E74-A76 VanDerWaalsContact C-N 3.35Å; E74-A76 PolarHBondContact O-N 3.25Å; A76-N79 PolarHBondContact O-N 2.76Å; A76-F80 WeakPolarHBondContact O-CB 3.45Å; A76-F80 PolarHBondContact O-N 3.24Å
77S86.1Confident76.5Confident9 Ų948.7 Ų48.76%0.06324%0.237CC..Hα-helixtrans-63.7-50179.2-162.80000110.9E73 E74 N79 F80 L81 H199E73-S77 WeakPolarHBondContact O-CB 3.18Å; E73-S77 PolarHBondContact O-N 3.04Å; E74-S77 PolarHBondContact O-N 3Å; S77-N79 VanDerWaalsContact C-N 3.34Å; S77-N79 PolarHBondContact O-N 2.97Å; S77-F80 PolarHBondContact O-N 2.91Å; S77-L81 VanDerWaalsContact O-CB 3.31Å; S77-L81 WeakPolarHBondContact O-CB 3.41Å; S77-L81 VanDerWaalsContact O-CG 3.24Å; S77-L81 WeakPolarHBondContact O-CG 3.39Å; S77-L81 PolarHBondContact O-N 2.85Å; S77-H199 WeakPolarHBondContact CB-ND1 3.45Å; S77-H199 PolarHBondContact OG-ND1 3.13Å
78F90.6Very high79.4Confident0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-54.3-49.7174.7170.7-97.2000111.6E74 F80 L81 R82 F126 Y131 I135 F139E74-F78 WeakPolarHBondContact O-CB 3.44Å; E74-F78 PolarHBondContact O-N 3.14Å; F78-F80 VanDerWaalsContact C-N 3.33Å; F78-F80 PolarHBondContact O-N 2.78Å; F78-L81 PolarHBondContact O-N 3.05Å; F78-R82 WeakPolarHBondContact O-CB 3.28Å; F78-R82 VanDerWaalsContact O-CG 3.28Å; F78-R82 WeakPolarHBondContact O-CG 3.43Å; F78-R82 PolarHBondContact O-N 3.18Å; F78-F126 HydrophobicContact CE2-CB 4.34Å; F78-F126 HydrophobicContact CE2-CD1 4.09Å; F78-F126 HydrophobicContact CE2-CG 4.49Å; F78-F126 HydrophobicContact CZ-CB 4.39Å; F78-F126 HydrophobicContact CZ-CD1 4.47Å; F78-Y131 HydrophobicContact CB-CD2 4.02Å; F78-Y131 HydrophobicContact CB-CE2 4.44Å; F78-Y131 AromaticContact CD1-CD2 3.91Å; F78-Y131 HydrophobicContact CD1-CD2 3.91Å; F78-Y131 HydrophobicContact CD1-CG 4.47Å; F78-Y131 HydrophobicContact CG-CD2 4.01Å; F78-I135 HydrophobicContact CE2-CG2 3.86Å; F78-I135 HydrophobicContact CZ-CG2 3.77Å; F78-F139 HydrophobicContact CD2-CB 3.94Å; F78-F139 AromaticContact CD2-CD1 3.69Å; F78-F139 HydrophobicContact CD2-CD1 3.69Å; F78-F139 HydrophobicContact CD2-CD2 4.18Å; F78-F139 HydrophobicContact CD2-CE1 4.18Å; F78-F139 AromaticContact CD2-CG 3.67Å; F78-F139 HydrophobicContact CD2-CG 3.67Å; F78-F139 HydrophobicContact CE2-CB 3.91Å; F78-F139 HydrophobicContact CE2-CD1 4.32Å; F78-F139 HydrophobicContact CE2-CD2 4.01Å; F78-F139 AromaticContact CE2-CG 3.83Å; F78-F139 HydrophobicContact CE2-CG 3.83Å
79N90.3Very high82.6Confident49 Ų4938 Ų3826%0.26219%0.186SC..Hα-helixtrans-64.2-37.2-177.7-80.6-49.3000113.3K75 A76 S77 R82K75-N79 WeakPolarHBondContact CG-ND2 3.13Å; K75-N79 WeakPolarHBondContact O-CB 3.47Å; K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 3.11Å; K75-N79 PolarHBondContact O-ND2 2.79Å; A76-N79 PolarHBondContact O-N 2.76Å; S77-N79 VanDerWaalsContact C-N 3.34Å; S77-N79 PolarHBondContact O-N 2.97Å; N79-R82 VanDerWaalsContact OD1-CZ 3.28Å; N79-R82 PolarHBondContact OD1-NE 3.01Å; N79-R82 PolarHBondContact OD1-NH2 3.25Å
80F89.9Confident85.3Confident68 Ų6837.7 Ų37.730%0.29818%0.183SC..Hα-helixtrans-70.8-55.1175.6175.7-103.2000110.9L30 A76 S77 F78 R82 K83 E84 L195L30-F80 HydrophobicContact CD1-CE1 3.88Å; L30-F80 HydrophobicContact CD1-CZ 3.92Å; L30-F80 HydrophobicContact CD2-CZ 4.23Å; L30-F80 HydrophobicContact CG-CZ 4.31Å; A76-F80 WeakPolarHBondContact O-CB 3.45Å; A76-F80 PolarHBondContact O-N 3.24Å; S77-F80 PolarHBondContact O-N 2.91Å; F78-F80 VanDerWaalsContact C-N 3.33Å; F78-F80 PolarHBondContact O-N 2.78Å; F80-R82 PolarHBondContact O-N 2.93Å; F80-K83 PolarHBondContact O-N 3.16Å; F80-E84 HydrophobicContact CD1-CB 4.38Å; F80-E84 HydrophobicContact CE1-CB 4Å; F80-E84 HydrophobicContact CE1-CG 3.94Å; F80-E84 HydrophobicContact CE2-CB 4.24Å; F80-E84 HydrophobicContact CE2-CG 4.35Å; F80-E84 HydrophobicContact CZ-CB 3.93Å; F80-E84 HydrophobicContact CZ-CG 3.7Å; F80-E84 WeakPolarHBondContact O-CB 3.38Å; F80-E84 PolarHBondContact O-N 3.38Å; F80-L195 HydrophobicContact CE1-CD1 4.36Å; F80-L195 HydrophobicContact CE1-CD2 4.21Å
81L91.9Very high87.1Confident4 Ų430.5 Ų30.52%0.02116%0.156CC..Hα-helixtrans-65.9-38.2-171.7-68.4176.9000113.5S77 F78 K83 E84 L85 F139 L195 H199S77-L81 VanDerWaalsContact O-CB 3.31Å; S77-L81 WeakPolarHBondContact O-CB 3.41Å; S77-L81 VanDerWaalsContact O-CG 3.24Å; S77-L81 WeakPolarHBondContact O-CG 3.39Å; S77-L81 PolarHBondContact O-N 2.85Å; F78-L81 PolarHBondContact O-N 3.05Å; L81-K83 PolarHBondContact O-N 3.18Å; L81-K83 VanDerWaalsContact O-N 3.13Å; L81-E84 PolarHBondContact O-N 3.39Å; L81-L85 HydrophobicContact CB-CD1 4.15Å; L81-L85 HydrophobicContact CB-CG 4.39Å; L81-L85 HydrophobicContact CD2-CG 4.44Å; L81-L85 VanDerWaalsContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CB 3.31Å; L81-L85 VanDerWaalsContact O-CG 3.25Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 2.99Å; L81-F139 HydrophobicContact CB-CE1 4.05Å; L81-F139 HydrophobicContact CB-CZ 3.84Å; L81-F139 HydrophobicContact CD1-CE1 4.44Å; L81-L195 HydrophobicContact CD2-CB 3.69Å; L81-L195 HydrophobicContact CD2-CD1 3.81Å; L81-L195 HydrophobicContact CD2-CD2 4.2Å; L81-L195 HydrophobicContact CD2-CG 4.12Å; L81-H199 HydrophobicContact CD1-CB 3.46Å; L81-H199 VanDerWaalsContact CD1-CB 3.46Å; L81-H199 WeakPolarHBondContact CD1-ND1 3.18Å
82R92.7Very high89Confident33 Ų3326.9 Ų26.913%0.12514%0.141CC..Hα-helixtrans-58.3-28.9178.673.3-174.9177.6157-14.1112.8F78 N79 F80 L86 F126 E127 V129 F139F78-R82 WeakPolarHBondContact O-CB 3.28Å; F78-R82 VanDerWaalsContact O-CG 3.28Å; F78-R82 WeakPolarHBondContact O-CG 3.43Å; F78-R82 PolarHBondContact O-N 3.18Å; N79-R82 VanDerWaalsContact OD1-CZ 3.28Å; N79-R82 PolarHBondContact OD1-NE 3.01Å; N79-R82 PolarHBondContact OD1-NH2 3.25Å; F80-R82 PolarHBondContact O-N 2.93Å; R82-L86 WeakPolarHBondContact O-CD1 3.39Å; R82-L86 WeakPolarHBondContact O-CG 3.2Å; R82-F126 HydrophobicContact CB-CB 4.5Å; R82-F126 PolarHBondContact NH1-O 3.44Å; R82-E127 PolarHBondContact NH1-O 3.22Å; R82-V129 PolarHBondContact NH1-O 3.15Å; R82-F139 HydrophobicContact CB-CE2 4.22Å; R82-F139 HydrophobicContact CB-CZ 4.43Å
83K93.1Very high90.7Very high118 Ų11824.4 Ų24.451%0.51312%0.12SC..Hα-helixtrans-93-49.3176.8-67.4-174.4177-176.60111.5F80 L81 L85 L86 V87F80-K83 PolarHBondContact O-N 3.16Å; L81-K83 PolarHBondContact O-N 3.18Å; L81-K83 VanDerWaalsContact O-N 3.13Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.04Å; K83-L86 WeakPolarHBondContact O-CB 3.32Å; K83-L86 PolarHBondContact O-N 3.36Å; K83-V87 WeakPolarHBondContact O-CG2 3.48Å; K83-V87 PolarHBondContact O-N 3.17Å
84E93.5Very high91.8Very high8 Ų825.7 Ų25.74%0.03713%0.125CC..Hα-helixtrans-62.9-39.2-175.5-177.861.6-155.100112.1P27 S28 F80 L81 V87 R88 L195P27-E84 WeakPolarHBondContact CA-OE1 3.44Å; S28-E84 VanDerWaalsContact CB-OE2 3.28Å; S28-E84 WeakPolarHBondContact CB-OE2 3.35Å; S28-E84 PolarHBondContact N-OE1 3.24Å; S28-E84 PolarHBondContact N-OE2 3.13Å; S28-E84 PolarHBondContact OG-OE2 3.43Å; F80-E84 HydrophobicContact CD1-CB 4.38Å; F80-E84 HydrophobicContact CE1-CB 4Å; F80-E84 HydrophobicContact CE1-CG 3.94Å; F80-E84 HydrophobicContact CE2-CB 4.24Å; F80-E84 HydrophobicContact CE2-CG 4.35Å; F80-E84 HydrophobicContact CZ-CB 3.93Å; F80-E84 HydrophobicContact CZ-CG 3.7Å; F80-E84 WeakPolarHBondContact O-CB 3.38Å; F80-E84 PolarHBondContact O-N 3.38Å; L81-E84 PolarHBondContact O-N 3.39Å; E84-V87 PolarHBondContact O-N 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.27Å; E84-R88 PolarHBondContact O-N 2.92Å; E84-R88 IonicContact OE1-CZ 3.52Å; E84-R88 IonicContact OE1-NE 2.76Å; E84-R88 PolarHBondContact OE1-NE 3.11Å; E84-R88 IonicContact OE1-NH2 2.9Å; E84-R88 PolarHBondContact OE1-NH2 2.91Å; E84-L195 HydrophobicContact CG-CD1 3.81Å
85L95.4Very high92.5Very high1 Ų124.7 Ų24.71%0.00512%0.12CC..Hα-helixtrans-66.5-38177.2-66.2175.9000112.1L81 K83 R88 L89 L123 F139 L143 I192 L195 I196L81-L85 HydrophobicContact CB-CD1 4.15Å; L81-L85 HydrophobicContact CB-CG 4.39Å; L81-L85 HydrophobicContact CD2-CG 4.44Å; L81-L85 VanDerWaalsContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CB 3.31Å; L81-L85 VanDerWaalsContact O-CG 3.25Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 2.99Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.04Å; L85-R88 PolarHBondContact O-N 3Å; L85-L89 WeakPolarHBondContact O-CB 3.32Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.25Å; L85-L89 PolarHBondContact O-N 2.96Å; L85-L123 HydrophobicContact CB-CD1 3.65Å; L85-L123 HydrophobicContact CD1-CD1 4.3Å; L85-L123 HydrophobicContact CD1-CD2 4.32Å; L85-F139 HydrophobicContact CD1-CZ 4.43Å; L85-L143 HydrophobicContact CD1-CD2 3.48Å; L85-L143 VanDerWaalsContact CD1-CD2 3.48Å; L85-I192 HydrophobicContact CD2-CG2 4.14Å; L85-L195 HydrophobicContact CD2-CB 4.25Å; L85-L195 HydrophobicContact CD2-CD1 4.1Å; L85-I196 HydrophobicContact CD1-CG1 4.12Å; L85-I196 HydrophobicContact CD2-CG1 4.17Å
86L96.7Very high92.6Very high0 Ų019.7 Ų19.70%010%0.099CC..Hα-helixtrans-62.1-43.9172.9-71.2172.8000110.9Y22 R82 K83 A90 F120 L123 L124Y22-L86 HydrophobicContact CD1-CB 3.54Å; Y22-L86 HydrophobicContact CD2-CB 4.29Å; Y22-L86 HydrophobicContact CE1-CB 3.57Å; Y22-L86 HydrophobicContact CE1-CD1 3.88Å; Y22-L86 HydrophobicContact CE1-CG 4.38Å; Y22-L86 HydrophobicContact CE2-CB 4.33Å; Y22-L86 HydrophobicContact CE2-CD1 3.9Å; Y22-L86 HydrophobicContact CG-CB 3.93Å; R82-L86 WeakPolarHBondContact O-CD1 3.39Å; R82-L86 WeakPolarHBondContact O-CG 3.2Å; K83-L86 WeakPolarHBondContact O-CB 3.32Å; K83-L86 PolarHBondContact O-N 3.36Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 2.86Å; L86-F120 HydrophobicContact CB-CE2 4.03Å; L86-F120 HydrophobicContact CD2-CD2 3.64Å; L86-F120 HydrophobicContact CD2-CE2 3.55Å; L86-F120 HydrophobicContact CD2-CG 4.19Å; L86-F120 HydrophobicContact CD2-CZ 4.04Å; L86-F120 HydrophobicContact CG-CE2 4.41Å; L86-F120 WeakPolarHBondContact O-CE2 3.29Å; L86-L123 HydrophobicContact CD2-CB 3.62Å; L86-L123 HydrophobicContact CG-CB 4.12Å; L86-L124 HydrophobicContact CD1-CD2 4.1Å; L86-L124 HydrophobicContact CD2-CD2 4.04Å; L86-L124 HydrophobicContact CD2-CG 4.04Å
87V95.5Very high92.7Very high12 Ų1220 Ų207%0.07310%0.101CC..Hα-helixtrans-59-51.71751750000111.2Y22 Y25 P27 K83 E84 L89 A90 N91Y22-V87 HydrophobicContact CD1-CG2 3.79Å; Y22-V87 HydrophobicContact CE1-CG2 4.45Å; Y25-V87 HydrophobicContact CD2-CG2 4.5Å; Y25-V87 WeakPolarHBondContact O-CG1 3.31Å; P27-V87 HydrophobicContact CG-CG1 4.33Å; K83-V87 WeakPolarHBondContact O-CG2 3.48Å; K83-V87 PolarHBondContact O-N 3.17Å; E84-V87 PolarHBondContact O-N 3.48Å; V87-L89 PolarHBondContact O-N 3.14Å; V87-A90 PolarHBondContact O-N 3.32Å; V87-N91 WeakPolarHBondContact O-CB 3.47Å; V87-N91 PolarHBondContact O-N 2.91Å; V87-N91 PolarHBondContact O-ND2 3.25Å
88R95.7Very high92.8Very high2 Ų221.5 Ų21.51%0.00811%0.108CC..Hα-helixtrans-62.3-44.7-178.2-69.4-177.1-172.3-164.7-0.8111.7P27 S28 E84 L85 V92 S191 I192 L195 E417 I419P27-R88 HydrophobicContact CB-CG 4.07Å; P27-R88 HydrophobicContact CG-CG 4.36Å; S28-R88 PolarHBondContact O-NH2 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.27Å; E84-R88 PolarHBondContact O-N 2.92Å; E84-R88 IonicContact OE1-CZ 3.52Å; E84-R88 IonicContact OE1-NE 2.76Å; E84-R88 PolarHBondContact OE1-NE 3.11Å; E84-R88 IonicContact OE1-NH2 2.9Å; E84-R88 PolarHBondContact OE1-NH2 2.91Å; L85-R88 PolarHBondContact O-N 3Å; R88-V92 WeakPolarHBondContact O-CG2 3.32Å; R88-V92 PolarHBondContact O-N 2.68Å; R88-V92 VanDerWaalsContact O-N 3.14Å; R88-S191 VanDerWaalsContact CZ-OG 3.31Å; R88-S191 PolarHBondContact NH1-O 3.12Å; R88-S191 VanDerWaalsContact NH1-O 3.14Å; R88-S191 PolarHBondContact NH1-OG 3.09Å; R88-I192 HydrophobicContact CB-CD1 4.07Å; R88-I192 HydrophobicContact CB-CG1 3.8Å; R88-L195 VanDerWaalsContact NH1-CG 3.26Å; R88-E417 IonicContact CZ-OE1 3.22Å; R88-E417 IonicContact CZ-OE2 3.68Å; R88-E417 IonicContact NH1-OE1 2.73Å; R88-E417 PolarHBondContact NH1-OE1 3.44Å; R88-E417 IonicContact NH1-OE2 3.02Å; R88-E417 IonicContact NH2-OE1 3.6Å; R88-E417 PolarHBondContact NH2-OE1 3.27Å; R88-E417 IonicContact NH2-OE2 3.37Å; R88-E417 PolarHBondContact NH2-OE2 2.89Å; R88-I419 VanDerWaalsContact CZ-CD1 3.49Å; R88-I419 VanDerWaalsContact NH2-CD1 3.26Å
89L96.1Very high92.6Very high3 Ų321.9 Ų21.92%0.01611%0.11CC..Hα-helixtrans-64.4-45176.8-73.3171.7000112.1L85 V87 N91 V92 M93 Y116 F120 L123 I192L85-L89 WeakPolarHBondContact O-CB 3.32Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.25Å; L85-L89 PolarHBondContact O-N 2.96Å; V87-L89 PolarHBondContact O-N 3.14Å; L89-N91 VanDerWaalsContact C-N 3.34Å; L89-N91 PolarHBondContact O-N 3.46Å; L89-V92 PolarHBondContact O-N 3.34Å; L89-M93 VanDerWaalsContact O-CG 3.25Å; L89-M93 WeakPolarHBondContact O-CG 3.28Å; L89-M93 PolarHBondContact O-N 2.96Å; L89-Y116 HydrophobicContact CD2-CD1 3.52Å; L89-Y116 HydrophobicContact CD2-CE1 3.74Å; L89-F120 HydrophobicContact CB-CD2 4Å; L89-L123 HydrophobicContact CD1-CD1 3.5Å; L89-I192 HydrophobicContact CD2-CD1 3.82Å; L89-I192 HydrophobicContact CG-CD1 4.22Å
90A95.8Very high92.4Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-61.8-41.7179.200000112.2V19 A23 L86 V87 V92 M93 K94 F120V19-A90 HydrophobicContact CG1-CB 4.27Å; A23-A90 HydrophobicContact CB-CB 4.07Å; L86-A90 WeakPolarHBondContact O-CB 3.43Å; L86-A90 PolarHBondContact O-N 2.86Å; V87-A90 PolarHBondContact O-N 3.32Å; A90-V92 VanDerWaalsContact C-N 3.35Å; A90-V92 PolarHBondContact O-N 3.38Å; A90-M93 PolarHBondContact O-N 3.31Å; A90-K94 WeakPolarHBondContact O-CG 3.47Å; A90-K94 PolarHBondContact O-N 3.45Å; A90-F120 HydrophobicContact CB-CE2 3.91Å
91N94.6Very high92.2Very high2 Ų225 Ų251%0.01113%0.127CC..Hα-helixtrans-58.7-45.7174-86-102000111.2Y25 V87 L89 K94 E95 Y422Y25-N91 PolarHBondContact O-ND2 2.91Å; V87-N91 WeakPolarHBondContact O-CB 3.47Å; V87-N91 PolarHBondContact O-N 2.91Å; V87-N91 PolarHBondContact O-ND2 3.25Å; L89-N91 VanDerWaalsContact C-N 3.34Å; L89-N91 PolarHBondContact O-N 3.46Å; N91-K94 PolarHBondContact O-N 2.85Å; N91-E95 PolarHBondContact O-N 3.31Å; N91-Y422 VanDerWaalsContact OD1-CB 3.28Å; N91-Y422 WeakPolarHBondContact OD1-CB 3.21Å; N91-Y422 PolarHBondContact OD1-N 3.17Å
92V93.8Very high92.1Very high4 Ų426.3 Ų26.32%0.02414%0.137CC..Hα-helixtrans-62.5-47.7175.9174.40000111.4R88 L89 A90 K94 E95 V96 Y116 F185 S188R88-V92 WeakPolarHBondContact O-CG2 3.32Å; R88-V92 PolarHBondContact O-N 2.68Å; R88-V92 VanDerWaalsContact O-N 3.14Å; L89-V92 PolarHBondContact O-N 3.34Å; A90-V92 VanDerWaalsContact C-N 3.35Å; A90-V92 PolarHBondContact O-N 3.38Å; V92-K94 VanDerWaalsContact C-N 3.27Å; V92-K94 PolarHBondContact O-N 3.43Å; V92-E95 PolarHBondContact O-N 2.97Å; V92-V96 HydrophobicContact CG1-CG2 3.97Å; V92-V96 VanDerWaalsContact O-CG2 3.28Å; V92-V96 WeakPolarHBondContact O-CG2 3.22Å; V92-V96 PolarHBondContact O-N 2.91Å; V92-Y116 HydrophobicContact CB-CD1 4.19Å; V92-Y116 HydrophobicContact CB-CE1 3.84Å; V92-Y116 HydrophobicContact CG1-CD1 3.8Å; V92-Y116 HydrophobicContact CG1-CE1 3.33Å; V92-Y116 HydrophobicContact CG2-CE1 4.29Å; V92-F185 HydrophobicContact CG1-CD2 3.66Å; V92-F185 HydrophobicContact CG1-CE2 3.76Å; V92-S188 WeakPolarHBondContact CG2-OG 3.32Å
93M94Very high92Very high3 Ų324.8 Ų24.82%0.01513%0.131CC..Hα-helixtrans-60.1-37.2-179.2-70.2172.271.600112.3V19 L89 A90 A97 Y113 Y116 Q117 F120V19-M93 HydrophobicContact CG1-CB 4.16Å; V19-M93 HydrophobicContact CG1-CE 4.5Å; V19-M93 HydrophobicContact CG2-CE 3.6Å; V19-M93 HydrophobicContact CG2-SD 3.94Å; L89-M93 VanDerWaalsContact O-CG 3.25Å; L89-M93 WeakPolarHBondContact O-CG 3.28Å; L89-M93 PolarHBondContact O-N 2.96Å; A90-M93 PolarHBondContact O-N 3.31Å; M93-A97 PolarHBondContact O-N 2.82Å; M93-A97 VanDerWaalsContact O-N 3.1Å; M93-Y113 HydrophobicContact CB-CE2 4.36Å; M93-Y116 HydrophobicContact CG-CD1 4.4Å; M93-Q117 HydrophobicContact CE-CB 4.31Å; M93-Q117 HydrophobicContact CE-CG 3.58Å; M93-F120 HydrophobicContact SD-CB 3.91Å; M93-F120 HydrophobicContact SD-CD2 4.32Å; M93-F120 HydrophobicContact SD-CG 4.12Å
94K93.1Very high91.8Very high46 Ų4620.5 Ų20.520%0.211%0.113CC..Hα-helixtrans-65.2-39.3173.8-77.1-56.5-1551780112.7V19 D20 A23 A90 N91 V92 Y422V19-K94 HydrophobicContact CG1-CD 4.43Å; V19-K94 HydrophobicContact CG1-CG 4.45Å; D20-K94 WeakPolarHBondContact OD1-CE 3.16Å; D20-K94 IonicContact OD1-NZ 3.28Å; D20-K94 PolarHBondContact OD1-NZ 3.06Å; D20-K94 IonicContact OD2-NZ 3.04Å; D20-K94 PolarHBondContact OD2-NZ 3.19Å; A23-K94 HydrophobicContact CB-CB 4.41Å; A23-K94 HydrophobicContact CB-CD 4.37Å; A23-K94 HydrophobicContact CB-CG 3.37Å; A90-K94 WeakPolarHBondContact O-CG 3.47Å; A90-K94 PolarHBondContact O-N 3.45Å; N91-K94 PolarHBondContact O-N 2.85Å; V92-K94 VanDerWaalsContact C-N 3.27Å; V92-K94 PolarHBondContact O-N 3.43Å; K94-Y422 HydrophobicContact CB-CD1 3.92Å; K94-Y422 HydrophobicContact CB-CD2 3.82Å; K94-Y422 HydrophobicContact CB-CE1 4.05Å; K94-Y422 HydrophobicContact CB-CE2 3.96Å; K94-Y422 HydrophobicContact CB-CG 3.8Å; K94-Y422 HydrophobicContact CG-CD1 4.11Å; K94-Y422 HydrophobicContact CG-CE1 4.11Å; K94-Y422 HydrophobicContact CG-CG 4.47Å
95E91.6Very high91.6Very high6 Ų623 Ų233%0.02814%0.142CC..Hα-helixtrans-71.8-39.4176.3-70.6-169.6-161.300112.4N91 V92 A97 L98 F181 R184 Y422 F430N91-E95 PolarHBondContact O-N 3.31Å; V92-E95 PolarHBondContact O-N 2.97Å; E95-A97 PolarHBondContact O-N 3.49Å; E95-L98 WeakPolarHBondContact O-CB 3.28Å; E95-L98 PolarHBondContact O-N 2.88Å; E95-F181 HydrophobicContact CB-CD2 4.44Å; E95-F181 HydrophobicContact CB-CE2 4.17Å; E95-R184 IonicContact OE1-CZ 2.74Å; E95-R184 VanDerWaalsContact OE1-CZ 3.29Å; E95-R184 IonicContact OE1-NE 3.66Å; E95-R184 PolarHBondContact OE1-NE 3.44Å; E95-R184 VanDerWaalsContact OE1-NE 3.11Å; E95-R184 IonicContact OE1-NH2 3.76Å; E95-R184 PolarHBondContact OE1-NH2 3.48Å; E95-R184 IonicContact OE2-CZ 3.51Å; E95-R184 IonicContact OE2-NE 3.33Å; E95-R184 PolarHBondContact OE2-NE 3.3Å; E95-R184 IonicContact OE2-NH2 3.01Å; E95-Y422 HydrophobicContact CG-CD2 3.87Å; E95-F430 HydrophobicContact CB-CE2 4.32Å; E95-F430 HydrophobicContact CB-CZ 4.31Å; E95-F430 HydrophobicContact CG-CE2 4Å; E95-F430 HydrophobicContact CG-CZ 4.27Å
96V89.6Confident91.5Very high2 Ų223.3 Ų23.31%0.01214%0.143CC..Hα-helixtrans-57.9-42174.8175.30000109.8V92 L98 L99 L104 Y113 F181 F185V92-V96 HydrophobicContact CG1-CG2 3.97Å; V92-V96 VanDerWaalsContact O-CG2 3.28Å; V92-V96 WeakPolarHBondContact O-CG2 3.22Å; V92-V96 PolarHBondContact O-N 2.91Å; V96-L98 PolarHBondContact O-N 3.49Å; V96-L98 VanDerWaalsContact O-N 3.08Å; V96-L99 HydrophobicContact CG1-CD1 4.27Å; V96-L99 VanDerWaalsContact O-CB 3.27Å; V96-L99 WeakPolarHBondContact O-CB 3.21Å; V96-L99 WeakPolarHBondContact O-CG 3.34Å; V96-L99 PolarHBondContact O-N 3.41Å; V96-L104 HydrophobicContact CG1-CD2 3.81Å; V96-L104 WeakPolarHBondContact O-CD2 3.2Å; V96-Y113 HydrophobicContact CB-CD2 4.09Å; V96-Y113 HydrophobicContact CB-CE2 4.46Å; V96-Y113 HydrophobicContact CG1-CD2 3.53Å; V96-Y113 HydrophobicContact CG1-CE2 4.25Å; V96-Y113 HydrophobicContact CG1-CG 4.22Å; V96-F181 HydrophobicContact CB-CZ 4.45Å; V96-F181 HydrophobicContact CG2-CE2 4.07Å; V96-F181 HydrophobicContact CG2-CZ 3.77Å; V96-F185 HydrophobicContact CG2-CD2 4.2Å; V96-F185 HydrophobicContact CG2-CE2 4.17Å
97A87.6Confident91.4Very high49 Ų4927.9 Ų27.941%0.40517%0.173SC..THydrogen-bonded Turntrans-64.5-11.4176.800000114.8M93 E95M93-A97 PolarHBondContact O-N 2.82Å; M93-A97 VanDerWaalsContact O-N 3.1Å; E95-A97 PolarHBondContact O-N 3.49Å
98L87.1Confident91.3Very high42 Ų4227.8 Ų27.822%0.2217%0.173CC..THydrogen-bonded Turntrans-95.4-2.6174.4-64-178.3000113.7E95 V96 Y422 K427 F430E95-L98 WeakPolarHBondContact O-CB 3.28Å; E95-L98 PolarHBondContact O-N 2.88Å; V96-L98 PolarHBondContact O-N 3.49Å; V96-L98 VanDerWaalsContact O-N 3.08Å; L98-Y422 HydrophobicContact CD1-CE2 3.83Å; L98-K427 HydrophobicContact CD1-CB 3.99Å; L98-K427 HydrophobicContact CD1-CG 3.89Å; L98-K427 HydrophobicContact CD2-CG 4.32Å; L98-F430 HydrophobicContact CB-CB 4.47Å; L98-F430 HydrophobicContact CB-CD2 4.11Å; L98-F430 HydrophobicContact CB-CG 4.34Å; L98-F430 HydrophobicContact CD1-CD2 3.6Å; L98-F430 HydrophobicContact CD1-CE2 4.15Å; L98-F430 HydrophobicContact CD1-CG 4.48Å
99L85.8Confident91.1Very high7 Ų727.8 Ų27.84%0.03717%0.174CC..SBendtrans-61.3154.5174.9-78.8175.4000111.7V96 Q101 L103 L104 F181V96-L99 HydrophobicContact CG1-CD1 4.27Å; V96-L99 VanDerWaalsContact O-CB 3.27Å; V96-L99 WeakPolarHBondContact O-CB 3.21Å; V96-L99 WeakPolarHBondContact O-CG 3.34Å; V96-L99 PolarHBondContact O-N 3.41Å; L99-Q101 PolarHBondContact O-N 3.41Å; L99-L103 HydrophobicContact CD1-CD2 3.91Å; L99-L103 HydrophobicContact CD1-CG 4.38Å; L99-L103 HydrophobicContact CD2-CD2 3.93Å; L99-L103 HydrophobicContact CG-CD2 4.4Å; L99-L104 HydrophobicContact CB-CD1 4.08Å; L99-L104 HydrophobicContact CB-CD2 4.13Å; L99-L104 HydrophobicContact CB-CG 3.76Å; L99-L104 HydrophobicContact CD1-CD2 4.16Å; L99-F181 HydrophobicContact CD1-CD1 4.16Å; L99-F181 HydrophobicContact CD1-CE1 3.65Å; L99-F181 HydrophobicContact CD1-CE2 4.07Å; L99-F181 HydrophobicContact CD1-CZ 3.6Å; L99-F181 HydrophobicContact CD2-CB 3.89Å; L99-F181 HydrophobicContact CD2-CD1 3.45Å; L99-F181 VanDerWaalsContact CD2-CD1 3.45Å; L99-F181 HydrophobicContact CD2-CD2 3.69Å; L99-F181 HydrophobicContact CD2-CE1 3.86Å; L99-F181 HydrophobicContact CD2-CE2 4.08Å; L99-F181 HydrophobicContact CD2-CG 3.36Å; L99-F181 HydrophobicContact CD2-CZ 4.16Å; L99-F181 HydrophobicContact CG-CD1 4.15Å; L99-F181 HydrophobicContact CG-CD2 3.97Å; L99-F181 HydrophobicContact CG-CE1 4.06Å; L99-F181 HydrophobicContact CG-CE2 3.89Å; L99-F181 HydrophobicContact CG-CG 4.1Å; L99-F181 HydrophobicContact CG-CZ 3.93Å
100P86.3Confident91Very high38 Ų3830.2 Ų30.225%0.24719%0.188CC..  trans-52.6138.3171.7-24.234.2000110.9S102 L103 L104 T174P100-S102 PolarHBondContact O-N 3.17Å; P100-L103 WeakPolarHBondContact O-CA 2.99Å; P100-L103 WeakPolarHBondContact O-CB 3.41Å; P100-L103 PolarHBondContact O-N 3.22Å; P100-L104 PolarHBondContact O-N 3.17Å; P100-T174 HydrophobicContact CG-CG2 4.18Å
101Q86.9Confident90.9Very high146 Ų14633.3 Ų33.368%0.68221%0.205SC*.Hα-helixtrans-60.3-28178.3-67.6-60.7-46.400112.2L99 L103 L104 G105L99-Q101 PolarHBondContact O-N 3.41Å; Q101-L103 VanDerWaalsContact C-N 3.27Å; Q101-L103 PolarHBondContact O-N 2.9Å; Q101-L104 PolarHBondContact O-N 3.01Å; Q101-G105 PolarHBondContact O-N 3.24Å
102S88.9Confident90.9Very high31 Ų3133.2 Ų33.222%0.21720%0.204CC..Hα-helixtrans-63.6-29.1172.651.40000113.5P100 T106P100-S102 PolarHBondContact O-N 3.17Å; S102-T106 VanDerWaalsContact O-CG2 3.27Å; S102-T106 WeakPolarHBondContact O-CG2 3.49Å
103L90.3Very high90.8Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-85.1-48.2172.5-174.851.5000111.2L99 P100 Q101 G105 T106 A109 G160 L161 M164L99-L103 HydrophobicContact CD1-CD2 3.91Å; L99-L103 HydrophobicContact CD1-CG 4.38Å; L99-L103 HydrophobicContact CD2-CD2 3.93Å; L99-L103 HydrophobicContact CG-CD2 4.4Å; P100-L103 WeakPolarHBondContact O-CA 2.99Å; P100-L103 WeakPolarHBondContact O-CB 3.41Å; P100-L103 PolarHBondContact O-N 3.22Å; Q101-L103 VanDerWaalsContact C-N 3.27Å; Q101-L103 PolarHBondContact O-N 2.9Å; L103-G105 PolarHBondContact O-N 3.41Å; L103-T106 WeakPolarHBondContact O-CG2 3.5Å; L103-T106 PolarHBondContact O-N 3.03Å; L103-T106 PolarHBondContact O-OG1 2.98Å; L103-A109 HydrophobicContact CD1-CB 4.22Å; L103-A109 HydrophobicContact CG-CB 4.3Å; L103-A109 WeakPolarHBondContact O-CB 3.47Å; L103-G160 WeakPolarHBondContact CD1-O 3.34Å; L103-L161 HydrophobicContact CD1-CD2 3.85Å; L103-L161 HydrophobicContact CD1-CG 4.43Å; L103-L161 HydrophobicContact CD2-CD2 3.69Å; L103-L161 HydrophobicContact CG-CD2 4.44Å; L103-M164 HydrophobicContact CB-SD 3.63Å; L103-M164 HydrophobicContact CD1-CB 4.19Å; L103-M164 HydrophobicContact CD1-SD 4.21Å; L103-M164 HydrophobicContact CG-SD 4.34Å
104L88.7Confident90.8Very high28 Ų2840.9 Ų40.915%0.14724%0.237CC..Hα-helixtrans-61.9-29-179.8-74.6173.6000113V96 L99 P100 Q101 T106 T110V96-L104 HydrophobicContact CG1-CD2 3.81Å; V96-L104 WeakPolarHBondContact O-CD2 3.2Å; L99-L104 HydrophobicContact CB-CD1 4.08Å; L99-L104 HydrophobicContact CB-CD2 4.13Å; L99-L104 HydrophobicContact CB-CG 3.76Å; L99-L104 HydrophobicContact CD1-CD2 4.16Å; P100-L104 PolarHBondContact O-N 3.17Å; Q101-L104 PolarHBondContact O-N 3.01Å; L104-T106 PolarHBondContact O-N 3.16Å; L104-T110 PolarHBondContact O-OG1 2.89Å
105G90.3Very high90.9Very high61 Ų6140.5 Ų40.563%0.62924%0.235SC*.THydrogen-bonded Turntrans-74.1-7.6176.300000114.4Q101 L103Q101-G105 PolarHBondContact O-N 3.24Å; L103-G105 PolarHBondContact O-N 3.41Å
106T92.9Very high91Very high7 Ų740.3 Ų40.34%0.04323%0.234CC..SBendtrans-78144.9177.482.10000111.2S102 L103 L104 S108 A109 T110 G160 E163 M164S102-T106 VanDerWaalsContact O-CG2 3.27Å; S102-T106 WeakPolarHBondContact O-CG2 3.49Å; L103-T106 WeakPolarHBondContact O-CG2 3.5Å; L103-T106 PolarHBondContact O-N 3.03Å; L103-T106 PolarHBondContact O-OG1 2.98Å; L104-T106 PolarHBondContact O-N 3.16Å; T106-S108 PolarHBondContact O-N 3.32Å; T106-A109 PolarHBondContact O-N 3.21Å; T106-A109 WeakPolarHBondContact OG1-CB 3.43Å; T106-A109 PolarHBondContact OG1-N 3.18Å; T106-T110 WeakPolarHBondContact O-CB 3.39Å; T106-T110 PolarHBondContact O-N 3.18Å; T106-T110 PolarHBondContact O-OG1 3.29Å; T106-T110 VanDerWaalsContact O-OG1 3.09Å; T106-G160 WeakPolarHBondContact OG1-CA 3.33Å; T106-E163 WeakPolarHBondContact CB-OE2 3.41Å; T106-E163 HydrophobicContact CG2-CB 3.88Å; T106-E163 PolarHBondContact OG1-OE2 3.21Å; T106-E163 VanDerWaalsContact OG1-OE2 3.06Å; T106-M164 HydrophobicContact CG2-CB 4.11Å
107P94.8Very high91.2Very high96 Ų9642.5 Ų42.562%0.62324%0.244SC*.Hα-helixtrans-54.4-41.5179.9-26.934.7000112.6T110 L111 E163P107-T110 PolarHBondContact O-N 2.99Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 PolarHBondContact O-N 3.15Å; P107-E163 WeakPolarHBondContact CD-OE2 3.46Å
108S93.6Very high91.6Very high11 Ų1144.4 Ų44.48%0.07724%0.244CC..Hα-helixtrans-71.8-41.8-175.1-62.20000112.5T106 L111 V112 T156 E163T106-S108 PolarHBondContact O-N 3.32Å; S108-L111 PolarHBondContact O-N 3.4Å; S108-V112 WeakPolarHBondContact O-CG2 3.42Å; S108-V112 PolarHBondContact O-N 2.99Å; S108-V112 VanDerWaalsContact O-N 3.12Å; S108-T156 VanDerWaalsContact CB-O 3.26Å; S108-T156 WeakPolarHBondContact CB-O 3.41Å; S108-T156 WeakPolarHBondContact O-CG2 3.23Å; S108-E163 VanDerWaalsContact CB-OE2 3.32Å; S108-E163 WeakPolarHBondContact CB-OE2 3.47Å; S108-E163 PolarHBondContact N-OE2 2.89Å; S108-E163 VanDerWaalsContact OG-CD 3.3Å; S108-E163 PolarHBondContact OG-OE1 3.41Å; S108-E163 PolarHBondContact OG-OE2 3.03Å
109A92.1Very high92Very high2 Ų242.4 Ų42.42%0.01723%0.234CC..Hα-helixtrans-67.8-37.3174.900000112.2L103 T106 L111 V112 Y113L103-A109 HydrophobicContact CD1-CB 4.22Å; L103-A109 HydrophobicContact CG-CB 4.3Å; L103-A109 WeakPolarHBondContact O-CB 3.47Å; T106-A109 PolarHBondContact O-N 3.21Å; T106-A109 WeakPolarHBondContact OG1-CB 3.43Å; T106-A109 PolarHBondContact OG1-N 3.18Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-V112 PolarHBondContact O-N 2.94Å; A109-Y113 PolarHBondContact O-N 3.23Å
110T93.2Very high92.5Very high53 Ų5342 Ų4233%0.32523%0.232SC..Hα-helixtrans-60.8-44.1174.1-66.80000111.1L104 T106 P107 Y113 Q114L104-T110 PolarHBondContact O-OG1 2.89Å; T106-T110 WeakPolarHBondContact O-CB 3.39Å; T106-T110 PolarHBondContact O-N 3.18Å; T106-T110 PolarHBondContact O-OG1 3.29Å; T106-T110 VanDerWaalsContact O-OG1 3.09Å; P107-T110 PolarHBondContact O-N 2.99Å; T110-Y113 PolarHBondContact O-N 3.49Å; T110-Q114 WeakPolarHBondContact O-CG 3.47Å; T110-Q114 PolarHBondContact O-N 3.39Å
111L93.9Very high92.9Very high65 Ų6544.3 Ų44.334%0.3424%0.239SC..Hα-helixtrans-60.7-45.4177.7179.459.8000111.8P107 S108 A109 Y113 Q114 W115 T156P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 PolarHBondContact O-N 3.15Å; S108-L111 PolarHBondContact O-N 3.4Å; A109-L111 VanDerWaalsContact C-N 3.34Å; L111-Y113 VanDerWaalsContact C-N 3.32Å; L111-Y113 PolarHBondContact O-N 3.43Å; L111-Q114 WeakPolarHBondContact O-CB 3.28Å; L111-Q114 PolarHBondContact O-N 2.89Å; L111-W115 HydrophobicContact CD1-CZ2 3.97Å; L111-W115 HydrophobicContact CD2-CH2 3.96Å; L111-W115 HydrophobicContact CD2-CZ2 3.59Å; L111-W115 HydrophobicContact CG-CD2 4.35Å; L111-W115 HydrophobicContact CG-CH2 4.04Å; L111-W115 HydrophobicContact CG-CZ2 3.54Å; L111-W115 PolarHBondContact O-N 3.46Å; L111-T156 HydrophobicContact CD2-CG2 4.18Å
112V93.4Very high93.3Very high1 Ų138.7 Ų38.71%0.00621%0.214CC..Hα-helixtrans-59.3-45.1175.11750000110.7S108 A109 Q114 W115 Y116 V153 T156 M157 F185S108-V112 WeakPolarHBondContact O-CG2 3.42Å; S108-V112 PolarHBondContact O-N 2.99Å; S108-V112 VanDerWaalsContact O-N 3.12Å; A109-V112 PolarHBondContact O-N 2.94Å; V112-Q114 VanDerWaalsContact C-N 3.31Å; V112-Q114 PolarHBondContact O-N 3.38Å; V112-W115 HydrophobicContact CB-CE3 4.46Å; V112-W115 HydrophobicContact CG2-CE3 4.14Å; V112-W115 HydrophobicContact CG2-CZ3 3.97Å; V112-W115 PolarHBondContact O-N 2.91Å; V112-Y116 HydrophobicContact CG1-CD2 4.13Å; V112-Y116 HydrophobicContact CG1-CE2 3.99Å; V112-Y116 WeakPolarHBondContact O-CD2 3.31Å; V112-Y116 PolarHBondContact O-N 3.22Å; V112-V153 HydrophobicContact CG1-CG1 4.18Å; V112-T156 HydrophobicContact CG2-CG2 3.81Å; V112-M157 HydrophobicContact CB-CE 4.4Å; V112-M157 HydrophobicContact CG1-CE 4.02Å; V112-F185 HydrophobicContact CG1-CE2 4.41Å; V112-F185 HydrophobicContact CG1-CZ 3.79Å
113Y92.9Very high93.7Very high68 Ų6837.3 Ų37.327%0.26720%0.204SC..Hα-helixtrans-61.1-39.8178-174.7-114.8000112.6M93 V96 A109 T110 L111 W115 Y116 Q117M93-Y113 HydrophobicContact CB-CE2 4.36Å; V96-Y113 HydrophobicContact CB-CD2 4.09Å; V96-Y113 HydrophobicContact CB-CE2 4.46Å; V96-Y113 HydrophobicContact CG1-CD2 3.53Å; V96-Y113 HydrophobicContact CG1-CE2 4.25Å; V96-Y113 HydrophobicContact CG1-CG 4.22Å; A109-Y113 PolarHBondContact O-N 3.23Å; T110-Y113 PolarHBondContact O-N 3.49Å; L111-Y113 VanDerWaalsContact C-N 3.32Å; L111-Y113 PolarHBondContact O-N 3.43Å; Y113-W115 PolarHBondContact O-N 3.18Å; Y113-Y116 PolarHBondContact O-N 3.43Å; Y113-Q117 HydrophobicContact CD1-CG 4.41Å; Y113-Q117 HydrophobicContact CE1-CG 4.13Å; Y113-Q117 VanDerWaalsContact CE1-NE2 3.33Å; Y113-Q117 WeakPolarHBondContact O-CG 3.4Å; Y113-Q117 PolarHBondContact O-N 3.34Å
114Q93.3Very high93.9Very high99 Ų9938.9 Ų38.946%0.46321%0.212SC..Hα-helixtrans-61.8-41175.4-71.9172.4-1.300112.2T110 L111 V112 Y116 Q117 E118T110-Q114 WeakPolarHBondContact O-CG 3.47Å; T110-Q114 PolarHBondContact O-N 3.39Å; L111-Q114 WeakPolarHBondContact O-CB 3.28Å; L111-Q114 PolarHBondContact O-N 2.89Å; V112-Q114 VanDerWaalsContact C-N 3.31Å; V112-Q114 PolarHBondContact O-N 3.38Å; Q114-Y116 VanDerWaalsContact C-N 3.32Å; Q114-Y116 PolarHBondContact O-N 2.96Å; Q114-Q117 WeakPolarHBondContact O-CB 3.4Å; Q114-Q117 PolarHBondContact O-N 2.84Å; Q114-E118 WeakPolarHBondContact O-CB 3.46Å; Q114-E118 PolarHBondContact O-N 3.22Å
115W95.2Very high94.1Very high38 Ų3842.5 Ų42.514%0.14423%0.229CC..Hα-helixtrans-61-39.1176-66.6-25.8000113L111 V112 Y113 E118 S119 R149 T152 V153 T156L111-W115 HydrophobicContact CD1-CZ2 3.97Å; L111-W115 HydrophobicContact CD2-CH2 3.96Å; L111-W115 HydrophobicContact CD2-CZ2 3.59Å; L111-W115 HydrophobicContact CG-CD2 4.35Å; L111-W115 HydrophobicContact CG-CH2 4.04Å; L111-W115 HydrophobicContact CG-CZ2 3.54Å; L111-W115 PolarHBondContact O-N 3.46Å; V112-W115 HydrophobicContact CB-CE3 4.46Å; V112-W115 HydrophobicContact CG2-CE3 4.14Å; V112-W115 HydrophobicContact CG2-CZ3 3.97Å; V112-W115 PolarHBondContact O-N 2.91Å; Y113-W115 PolarHBondContact O-N 3.18Å; W115-E118 PolarHBondContact O-N 2.82Å; W115-S119 WeakPolarHBondContact O-CB 3.36Å; W115-S119 PolarHBondContact O-N 3.04Å; W115-S119 PolarHBondContact O-OG 3.32Å; W115-R149 HydrophobicContact CB-CG 3.98Å; W115-R149 HydrophobicContact CD2-CG 4.46Å; W115-R149 HydrophobicContact CG-CG 3.8Å; W115-T152 WeakPolarHBondContact CH2-OG1 3.41Å; W115-V153 HydrophobicContact CE3-CG2 3.72Å; W115-V153 HydrophobicContact CZ3-CG2 3.87Å; W115-T156 HydrophobicContact CH2-CG2 4.13Å; W115-T156 HydrophobicContact CZ3-CG2 4.29Å
116Y94.7Very high94.4Very high2 Ų240.1 Ų40.11%0.00820%0.201CC..Hα-helixtrans-67.1-39.6175.1-84.9-100.5000111.8L89 V92 M93 V112 Y113 Q114 F120 H150 F185L89-Y116 HydrophobicContact CD2-CD1 3.52Å; L89-Y116 HydrophobicContact CD2-CE1 3.74Å; V92-Y116 HydrophobicContact CB-CD1 4.19Å; V92-Y116 HydrophobicContact CB-CE1 3.84Å; V92-Y116 HydrophobicContact CG1-CD1 3.8Å; V92-Y116 HydrophobicContact CG1-CE1 3.33Å; V92-Y116 HydrophobicContact CG2-CE1 4.29Å; M93-Y116 HydrophobicContact CG-CD1 4.4Å; V112-Y116 HydrophobicContact CG1-CD2 4.13Å; V112-Y116 HydrophobicContact CG1-CE2 3.99Å; V112-Y116 WeakPolarHBondContact O-CD2 3.31Å; V112-Y116 PolarHBondContact O-N 3.22Å; Y113-Y116 PolarHBondContact O-N 3.43Å; Q114-Y116 VanDerWaalsContact C-N 3.32Å; Q114-Y116 PolarHBondContact O-N 2.96Å; Y116-F120 VanDerWaalsContact O-CB 3.31Å; Y116-F120 WeakPolarHBondContact O-CB 3.14Å; Y116-F120 PolarHBondContact O-N 3.47Å; Y116-H150 AromaticContact CD2-NE2 3.56Å; Y116-H150 AromaticContact CE2-CD2 3.69Å; Y116-H150 AromaticContact CE2-NE2 3.6Å; Y116-H150 AromaticContact CG-NE2 3.93Å; Y116-H150 AromaticContact CZ-CD2 3.95Å; Y116-H150 AromaticContact CZ-NE2 3.97Å; Y116-F185 AromaticContact CE2-CE2 3.67Å; Y116-F185 HydrophobicContact CE2-CE2 3.67Å; Y116-F185 AromaticContact CE2-CZ 3.77Å; Y116-F185 HydrophobicContact CE2-CZ 3.77Å; Y116-F185 AromaticContact CZ-CE2 3.62Å; Y116-F185 AromaticContact CZ-CZ 3.98Å; Y116-F185 WeakPolarHBondContact OH-CE2 3.4Å
117Q93.8Very high94.4Very high49 Ų4941 Ų4123%0.22921%0.205CC..Hα-helixtrans-61.4-46.2174.3-70.8179.7-48.300111.7M93 Y113 Q114 F120 Q121M93-Q117 HydrophobicContact CE-CB 4.31Å; M93-Q117 HydrophobicContact CE-CG 3.58Å; Y113-Q117 HydrophobicContact CD1-CG 4.41Å; Y113-Q117 HydrophobicContact CE1-CG 4.13Å; Y113-Q117 VanDerWaalsContact CE1-NE2 3.33Å; Y113-Q117 WeakPolarHBondContact O-CG 3.4Å; Y113-Q117 PolarHBondContact O-N 3.34Å; Q114-Q117 WeakPolarHBondContact O-CB 3.4Å; Q114-Q117 PolarHBondContact O-N 2.84Å; Q117-F120 PolarHBondContact O-N 3.06Å; Q117-Q121 WeakPolarHBondContact O-CB 3.34Å; Q117-Q121 PolarHBondContact O-N 2.9Å
118E94.8Very high94.2Very high88 Ų8843 Ų4341%0.41121%0.21SC..Hα-helixtrans-61.7-49.8177.7-168.6-175.7155.400110.8Q114 W115 F120 Q121 D122 R149Q114-E118 WeakPolarHBondContact O-CB 3.46Å; Q114-E118 PolarHBondContact O-N 3.22Å; W115-E118 PolarHBondContact O-N 2.82Å; E118-F120 VanDerWaalsContact C-N 3.31Å; E118-F120 PolarHBondContact O-N 3.25Å; E118-Q121 WeakPolarHBondContact O-CB 3.32Å; E118-Q121 PolarHBondContact O-N 3.32Å; E118-Q121 VanDerWaalsContact O-N 3.15Å; E118-D122 WeakPolarHBondContact O-CB 3.18Å; E118-D122 PolarHBondContact O-N 2.86Å; E118-R149 VanDerWaalsContact CD-CZ 3.44Å; E118-R149 VanDerWaalsContact CD-NH2 3.35Å; E118-R149 IonicContact OE1-CZ 2.71Å; E118-R149 IonicContact OE1-NE 3.59Å; E118-R149 PolarHBondContact OE1-NE 3.41Å; E118-R149 IonicContact OE1-NH2 2.75Å; E118-R149 PolarHBondContact OE1-NH2 3.48Å; E118-R149 IonicContact OE2-NE 3.88Å; E118-R149 PolarHBondContact OE2-NE 3.26Å
119S96.3Very high94.2Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-61.6-35.6176.7-800000114W115 L123 I146 R149 H150W115-S119 WeakPolarHBondContact O-CB 3.36Å; W115-S119 PolarHBondContact O-N 3.04Å; W115-S119 PolarHBondContact O-OG 3.32Å; S119-L123 WeakPolarHBondContact O-CG 3.28Å; S119-L123 PolarHBondContact O-N 3.49Å; S119-I146 WeakPolarHBondContact OG-CG1 3.35Å; S119-I146 WeakPolarHBondContact OG-CG2 3.36Å; S119-R149 PolarHBondContact OG-NH1 3.21Å; S119-H150 PolarHBondContact OG-CE1 2.91Å
120F96.4Very high94.2Very high0 Ų052.6 Ų52.60%026%0.256CS..Hα-helixtrans-67.1-43.8174.9-172.3-97.5000110.9I15 K18 V19 Y22 L86 L89 A90 M93 Y116 Q117 E118 L123 L124I15-F120 HydrophobicContact CG2-CD1 4.25Å; K18-F120 HydrophobicContact CB-CE1 3.86Å; K18-F120 HydrophobicContact CB-CZ 4.23Å; V19-F120 HydrophobicContact CG2-CD1 3.8Å; V19-F120 HydrophobicContact CG2-CE1 3.57Å; V19-F120 HydrophobicContact CG2-CE2 4.42Å; V19-F120 HydrophobicContact CG2-CG 4.31Å; V19-F120 HydrophobicContact CG2-CZ 3.92Å; Y22-F120 HydrophobicContact CD2-CE2 4.4Å; Y22-F120 AromaticContact CD2-CZ 3.9Å; Y22-F120 HydrophobicContact CD2-CZ 3.9Å; Y22-F120 HydrophobicContact CG-CE2 4.45Å; Y22-F120 HydrophobicContact CG-CZ 4.34Å; L86-F120 HydrophobicContact CB-CE2 4.03Å; L86-F120 HydrophobicContact CD2-CD2 3.64Å; L86-F120 HydrophobicContact CD2-CE2 3.55Å; L86-F120 HydrophobicContact CD2-CG 4.19Å; L86-F120 HydrophobicContact CD2-CZ 4.04Å; L86-F120 HydrophobicContact CG-CE2 4.41Å; L86-F120 WeakPolarHBondContact O-CE2 3.29Å; L89-F120 HydrophobicContact CB-CD2 4Å; A90-F120 HydrophobicContact CB-CE2 3.91Å; M93-F120 HydrophobicContact SD-CB 3.91Å; M93-F120 HydrophobicContact SD-CD2 4.32Å; M93-F120 HydrophobicContact SD-CG 4.12Å; Y116-F120 VanDerWaalsContact O-CB 3.31Å; Y116-F120 WeakPolarHBondContact O-CB 3.14Å; Y116-F120 PolarHBondContact O-N 3.47Å; Q117-F120 PolarHBondContact O-N 3.06Å; E118-F120 VanDerWaalsContact C-N 3.31Å; E118-F120 PolarHBondContact O-N 3.25Å; F120-L123 PolarHBondContact O-N 3.35Å; F120-L124 HydrophobicContact CD1-CD1 3.78Å; F120-L124 HydrophobicContact CD1-CG 4.09Å; F120-L124 HydrophobicContact CE1-CD1 3.62Å; F120-L124 HydrophobicContact CE1-CD2 4.12Å; F120-L124 HydrophobicContact CE1-CG 3.91Å; F120-L124 HydrophobicContact CZ-CD2 4.33Å; F120-L124 WeakPolarHBondContact O-CG 3.5Å; F120-L124 PolarHBondContact O-N 3.04Å
121Q95.2Very high94.1Very high85 Ų8552 Ų5240%0.39725%0.248SC..Hα-helixtrans-62.6-42.2176-176.1177.4-20.200112.1I15 Q117 E118 L123 L124I15-Q121 HydrophobicContact CD1-CB 4.38Å; I15-Q121 HydrophobicContact CD1-CG 4.43Å; Q117-Q121 WeakPolarHBondContact O-CB 3.34Å; Q117-Q121 PolarHBondContact O-N 2.9Å; E118-Q121 WeakPolarHBondContact O-CB 3.32Å; E118-Q121 PolarHBondContact O-N 3.32Å; E118-Q121 VanDerWaalsContact O-N 3.15Å; Q121-L123 VanDerWaalsContact C-N 3.25Å; Q121-L123 PolarHBondContact O-N 3.38Å; Q121-L124 PolarHBondContact O-N 3.17Å
122D95.2Very high93.9Very high29 Ų2952 Ų5216%0.15525%0.249CC..Hα-helixtrans-59.2-34.9175.6-71.6-13.9000112.4E118 Q125 Q142 I146 R149E118-D122 WeakPolarHBondContact O-CB 3.18Å; E118-D122 PolarHBondContact O-N 2.86Å; D122-Q125 WeakPolarHBondContact O-CG 3.22Å; D122-Q125 PolarHBondContact O-NE2 3.42Å; D122-Q142 HydrophobicContact CB-CG 3.83Å; D122-Q142 PolarHBondContact OD2-NE2 2.84Å; D122-I146 HydrophobicContact CB-CD1 4.37Å; D122-R149 IonicContact OD2-CZ 2.8Å; D122-R149 IonicContact OD2-NH1 3.05Å; D122-R149 PolarHBondContact OD2-NH1 3.31Å; D122-R149 IonicContact OD2-NH2 2.81Å; D122-R149 PolarHBondContact OD2-NH2 3.18Å
123L95.8Very high93.6Very high2 Ų254.9 Ų54.91%0.0127%0.267CS..Hα-helixtrans-83.1-29.7178.7-72.1171.6000112.8L85 L86 L89 S119 F120 Q121 Q125 F126 F139 L143 I146L85-L123 HydrophobicContact CB-CD1 3.65Å; L85-L123 HydrophobicContact CD1-CD1 4.3Å; L85-L123 HydrophobicContact CD1-CD2 4.32Å; L86-L123 HydrophobicContact CD2-CB 3.62Å; L86-L123 HydrophobicContact CG-CB 4.12Å; L89-L123 HydrophobicContact CD1-CD1 3.5Å; S119-L123 WeakPolarHBondContact O-CG 3.28Å; S119-L123 PolarHBondContact O-N 3.49Å; F120-L123 PolarHBondContact O-N 3.35Å; Q121-L123 VanDerWaalsContact C-N 3.25Å; Q121-L123 PolarHBondContact O-N 3.38Å; L123-Q125 PolarHBondContact O-N 3.01Å; L123-F126 PolarHBondContact O-N 2.84Å; L123-F139 HydrophobicContact CD2-CE2 3.76Å; L123-F139 HydrophobicContact CD2-CZ 4.49Å; L123-L143 HydrophobicContact CD2-CD2 3.82Å; L123-I146 HydrophobicContact CD1-CD1 4.02Å; L123-I146 HydrophobicContact CD2-CD1 3.86Å; L123-I146 HydrophobicContact CG-CD1 3.67Å
124L95.1Very high93.4Very high32 Ų3257.1 Ų57.117%0.16828%0.284CS..Hα-helixtrans-59.1-27.7177.8-80.6176.2000112.7K18 Y22 L86 F120 Q121 F126 E127K18-L124 HydrophobicContact CB-CD1 4.22Å; K18-L124 HydrophobicContact CB-CD2 4.31Å; K18-L124 HydrophobicContact CD-CD2 4.23Å; K18-L124 HydrophobicContact CG-CD1 4.34Å; K18-L124 HydrophobicContact CG-CD2 4.25Å; Y22-L124 HydrophobicContact CE2-CD2 4.3Å; L86-L124 HydrophobicContact CD1-CD2 4.1Å; L86-L124 HydrophobicContact CD2-CD2 4.04Å; L86-L124 HydrophobicContact CD2-CG 4.04Å; F120-L124 HydrophobicContact CD1-CD1 3.78Å; F120-L124 HydrophobicContact CD1-CG 4.09Å; F120-L124 HydrophobicContact CE1-CD1 3.62Å; F120-L124 HydrophobicContact CE1-CD2 4.12Å; F120-L124 HydrophobicContact CE1-CG 3.91Å; F120-L124 HydrophobicContact CZ-CD2 4.33Å; F120-L124 WeakPolarHBondContact O-CG 3.5Å; F120-L124 PolarHBondContact O-N 3.04Å; Q121-L124 PolarHBondContact O-N 3.17Å; L124-F126 PolarHBondContact O-N 3.19Å; L124-E127 VanDerWaalsContact O-CB 3.28Å; L124-E127 WeakPolarHBondContact O-CB 3.36Å; L124-E127 PolarHBondContact O-N 3.2Å; L124-E127 VanDerWaalsContact O-N 3.16Å
125Q93.9Very high93.4Very high105 Ų10554 Ų5449%0.49127%0.27SS..THydrogen-bonded Turntrans-62-22.917779.5-169.3-4400113D122 L123 V129D122-Q125 WeakPolarHBondContact O-CG 3.22Å; D122-Q125 PolarHBondContact O-NE2 3.42Å; L123-Q125 PolarHBondContact O-N 3.01Å; Q125-V129 WeakPolarHBondContact O-CG2 3.48Å
126F95.5Very high93Very high10 Ų1052.2 Ų52.24%0.04426%0.263CS..THydrogen-bonded Turntrans-97.3-2.5179.5-59.2-79.5000113.8F78 R82 L123 L124 N128 V129 I135 D138 F139 Q142F78-F126 HydrophobicContact CE2-CB 4.34Å; F78-F126 HydrophobicContact CE2-CD1 4.09Å; F78-F126 HydrophobicContact CE2-CG 4.49Å; F78-F126 HydrophobicContact CZ-CB 4.39Å; F78-F126 HydrophobicContact CZ-CD1 4.47Å; R82-F126 HydrophobicContact CB-CB 4.5Å; R82-F126 PolarHBondContact NH1-O 3.44Å; L123-F126 PolarHBondContact O-N 2.84Å; L124-F126 PolarHBondContact O-N 3.19Å; F126-N128 VanDerWaalsContact C-N 3.34Å; F126-N128 PolarHBondContact O-N 3.25Å; F126-V129 PolarHBondContact O-N 3.48Å; F126-I135 HydrophobicContact CD1-CG2 3.94Å; F126-I135 HydrophobicContact CE1-CG2 4.15Å; F126-D138 HydrophobicContact CE1-CB 4.21Å; F126-D138 HydrophobicContact CZ-CB 4.27Å; F126-F139 HydrophobicContact CB-CD2 4.23Å; F126-F139 HydrophobicContact CD1-CB 4.19Å; F126-F139 HydrophobicContact CD1-CD2 4.13Å; F126-F139 AromaticContact CD2-CD2 3.69Å; F126-F139 HydrophobicContact CD2-CD2 3.69Å; F126-F139 HydrophobicContact CD2-CE2 4.35Å; F126-F139 HydrophobicContact CE1-CB 3.91Å; F126-F139 HydrophobicContact CE1-CD2 4.43Å; F126-F139 HydrophobicContact CE2-CD2 4.01Å; F126-F139 AromaticContact CG-CD2 3.75Å; F126-F139 HydrophobicContact CG-CD2 3.75Å; F126-F139 HydrophobicContact CG-CE2 4.48Å; F126-F139 HydrophobicContact CZ-CB 4.11Å; F126-F139 HydrophobicContact CZ-CD2 4.38Å; F126-Q142 HydrophobicContact CE2-CB 3.97Å; F126-Q142 HydrophobicContact CE2-CG 4.08Å; F126-Q142 HydrophobicContact CZ-CB 4.33Å
127E92.4Very high92.7Very high27 Ų2756.6 Ų56.613%0.12629%0.287CS..THydrogen-bonded Turntrans-52.1-48.8-171.2180178.5-14800112.6K18 Y22 R82 L124K18-E127 WeakPolarHBondContact CE-OE2 3.32Å; K18-E127 IonicContact NZ-OE1 3.17Å; K18-E127 PolarHBondContact NZ-OE1 3.13Å; K18-E127 IonicContact NZ-OE2 2.69Å; K18-E127 PolarHBondContact NZ-OE2 3.16Å; Y22-E127 VanDerWaalsContact CE2-OE1 3.32Å; Y22-E127 WeakPolarHBondContact CE2-OE1 3.46Å; Y22-E127 WeakPolarHBondContact OH-CG 3.46Å; Y22-E127 PolarHBondContact OH-OE1 2.77Å; R82-E127 PolarHBondContact NH1-O 3.22Å; L124-E127 VanDerWaalsContact O-CB 3.28Å; L124-E127 WeakPolarHBondContact O-CB 3.36Å; L124-E127 PolarHBondContact O-N 3.2Å; L124-E127 VanDerWaalsContact O-N 3.16Å
128N91.2Very high92.6Very high136 Ų13658.6 Ų58.673%0.72730%0.3SS*.THydrogen-bonded Turntrans-116.916.2-174.7-60.1-56.8000113.2F126F126-N128 VanDerWaalsContact C-N 3.34Å; F126-N128 PolarHBondContact O-N 3.25Å
129V93.1Very high92.6Very high48 Ų4854.4 Ų54.429%0.29128%0.28SS..PPolyproline II helixtrans-85134-179.1-175.70000109.9R82 Q125 F126 I135R82-V129 PolarHBondContact NH1-O 3.15Å; Q125-V129 WeakPolarHBondContact O-CG2 3.48Å; F126-V129 PolarHBondContact O-N 3.48Å; V129-I135 HydrophobicContact CG1-CB 4.45Å; V129-I135 HydrophobicContact CG1-CD1 3.9Å; V129-I135 HydrophobicContact CG1-CG1 3.86Å; V129-I135 HydrophobicContact CG1-CG2 3.8Å
130E92.6Very high92.3Very high167 Ų16755.1 Ų55.178%0.7828%0.284SS*.PPolyproline II helixtrans-72.5142.6174.6-67.8-168169.200111.3N132E130-N132 PolarHBondContact O-N 3.1Å
131Y91.3Very high92Very high40 Ų4057.5 Ų57.516%0.15730%0.304CS..PPolyproline II helixtrans-62.4127.1177.8172.6-92.5000111.1E74 K75 F78E74-Y131 HydrophobicContact CB-CE2 4.47Å; E74-Y131 HydrophobicContact CG-CE2 4.13Å; E74-Y131 PolarHBondContact OE2-OH 3.42Å; K75-Y131 HydrophobicContact CB-CD1 3.71Å; K75-Y131 HydrophobicContact CB-CD2 3.99Å; K75-Y131 HydrophobicContact CB-CE1 3.74Å; K75-Y131 HydrophobicContact CB-CE2 4Å; K75-Y131 HydrophobicContact CB-CG 3.82Å; K75-Y131 HydrophobicContact CD-CD1 3.77Å; K75-Y131 HydrophobicContact CD-CE1 4.38Å; K75-Y131 HydrophobicContact CD-CG 4.16Å; K75-Y131 HydrophobicContact CG-CD1 3.68Å; K75-Y131 HydrophobicContact CG-CD2 4.19Å; K75-Y131 HydrophobicContact CG-CE1 4.24Å; K75-Y131 HydrophobicContact CG-CG 3.64Å; F78-Y131 HydrophobicContact CB-CD2 4.02Å; F78-Y131 HydrophobicContact CB-CE2 4.44Å; F78-Y131 AromaticContact CD1-CD2 3.91Å; F78-Y131 HydrophobicContact CD1-CD2 3.91Å; F78-Y131 HydrophobicContact CD1-CG 4.47Å; F78-Y131 HydrophobicContact CG-CD2 4.01Å
132N89.8Confident92Very high66 Ų6654.6 Ų54.635%0.35329%0.29SS..  trans-143.4162.9157.767.460.6000108.7E130 N134 I135 S136E130-N132 PolarHBondContact O-N 3.1Å; N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.32Å; N132-N134 WeakPolarHBondContact OD1-CB 3.5Å; N132-N134 PolarHBondContact OD1-N 2.89Å; N132-I135 VanDerWaalsContact ND2-CG1 3.28Å; N132-I135 WeakPolarHBondContact ND2-CG1 3.35Å; N132-I135 PolarHBondContact O-N 2.72Å; N132-I135 WeakPolarHBondContact OD1-CG1 3.39Å; N132-I135 PolarHBondContact OD1-N 3.29Å; N132-S136 PolarHBondContact O-N 3.39Å
133P86.4Confident91.9Very high61 Ų6153.2 Ų53.240%0.39628%0.283SS..Hα-helixtrans-56.9-35-176.5-28.436.7000114.7S136 N137P133-S136 PolarHBondContact O-N 3.09Å; P133-N137 PolarHBondContact O-N 3.43Å; P133-N137 PolarHBondContact O-ND2 3.04Å
134N89.6Confident91.6Very high115 Ų11554.4 Ų54.462%0.61529%0.29SS*.Hα-helixtrans-68.9-46179.1-64-15.3000111.1N132 S136 N137 D138N132-N134 VanDerWaalsContact C-N 3.27Å; N132-N134 PolarHBondContact O-N 3.32Å; N132-N134 WeakPolarHBondContact OD1-CB 3.5Å; N132-N134 PolarHBondContact OD1-N 2.89Å; N134-S136 PolarHBondContact O-N 3.3Å; N134-N137 WeakPolarHBondContact O-CB 3.14Å; N134-N137 PolarHBondContact O-N 3.4Å; N134-D138 PolarHBondContact O-N 3.21Å
135I92.2Very high91.5Very high34 Ų3457.8 Ų57.817%0.17431%0.305CS..Hα-helixtrans-61.9-35.1175.1-66.5-61.3000111.4F78 F126 V129 N132 D138 F139F78-I135 HydrophobicContact CE2-CG2 3.86Å; F78-I135 HydrophobicContact CZ-CG2 3.77Å; F126-I135 HydrophobicContact CD1-CG2 3.94Å; F126-I135 HydrophobicContact CE1-CG2 4.15Å; V129-I135 HydrophobicContact CG1-CB 4.45Å; V129-I135 HydrophobicContact CG1-CD1 3.9Å; V129-I135 HydrophobicContact CG1-CG1 3.86Å; V129-I135 HydrophobicContact CG1-CG2 3.8Å; N132-I135 VanDerWaalsContact ND2-CG1 3.28Å; N132-I135 WeakPolarHBondContact ND2-CG1 3.35Å; N132-I135 PolarHBondContact O-N 2.72Å; N132-I135 WeakPolarHBondContact OD1-CG1 3.39Å; N132-I135 PolarHBondContact OD1-N 3.29Å; I135-D138 PolarHBondContact O-N 3.13Å; I135-F139 VanDerWaalsContact O-CB 3.23Å; I135-F139 WeakPolarHBondContact O-CB 3.33Å; I135-F139 PolarHBondContact O-N 2.76Å
136S87.8Confident91.5Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-66.9-40.4176.1-162.10000112.5E74 N132 P133 N134 F139 T140E74-S136 VanDerWaalsContact CD-OG 3.24Å; E74-S136 VanDerWaalsContact CG-OG 3.28Å; E74-S136 WeakPolarHBondContact CG-OG 3.4Å; E74-S136 WeakPolarHBondContact OE1-CB 3.47Å; E74-S136 PolarHBondContact OE1-OG 3.21Å; N132-S136 PolarHBondContact O-N 3.39Å; P133-S136 PolarHBondContact O-N 3.09Å; N134-S136 PolarHBondContact O-N 3.3Å; S136-F139 PolarHBondContact O-N 2.95Å; S136-T140 WeakPolarHBondContact O-CB 3.29Å; S136-T140 PolarHBondContact O-N 3.22Å; S136-T140 PolarHBondContact O-OG1 3.5Å
137N88.5Confident91.3Very high95 Ų9553.1 Ų53.151%0.50829%0.285SS..Hα-helixtrans-63.4-46.2172.9-71.2-25.7000111.3P133 N134 F139 T140 A141P133-N137 PolarHBondContact O-N 3.43Å; P133-N137 PolarHBondContact O-ND2 3.04Å; N134-N137 WeakPolarHBondContact O-CB 3.14Å; N134-N137 PolarHBondContact O-N 3.4Å; N137-F139 VanDerWaalsContact C-N 3.31Å; N137-F139 PolarHBondContact O-N 2.92Å; N137-T140 PolarHBondContact O-N 3.39Å; N137-A141 WeakPolarHBondContact O-CB 3.47Å; N137-A141 PolarHBondContact O-N 2.91Å
138D92.4Very high91.2Very high91 Ų9155.7 Ų55.749%0.48730%0.299SS..Hα-helixtrans-60.8-41.7176.6-66.7-21.7000111.2F126 N134 I135 A141 Q142F126-D138 HydrophobicContact CE1-CB 4.21Å; F126-D138 HydrophobicContact CZ-CB 4.27Å; N134-D138 PolarHBondContact O-N 3.21Å; I135-D138 PolarHBondContact O-N 3.13Å; D138-A141 PolarHBondContact O-N 2.83Å; D138-Q142 WeakPolarHBondContact O-CB 3.41Å; D138-Q142 PolarHBondContact O-N 3.4Å
139F93.2Very high91.4Very high0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-61.4-47.5174.8-178.4-108.4000111.4F78 L81 R82 L85 L123 F126 I135 S136 N137 A141 Q142 L143 H199F78-F139 HydrophobicContact CD2-CB 3.94Å; F78-F139 AromaticContact CD2-CD1 3.69Å; F78-F139 HydrophobicContact CD2-CD1 3.69Å; F78-F139 HydrophobicContact CD2-CD2 4.18Å; F78-F139 HydrophobicContact CD2-CE1 4.18Å; F78-F139 AromaticContact CD2-CG 3.67Å; F78-F139 HydrophobicContact CD2-CG 3.67Å; F78-F139 HydrophobicContact CE2-CB 3.91Å; F78-F139 HydrophobicContact CE2-CD1 4.32Å; F78-F139 HydrophobicContact CE2-CD2 4.01Å; F78-F139 AromaticContact CE2-CG 3.83Å; F78-F139 HydrophobicContact CE2-CG 3.83Å; L81-F139 HydrophobicContact CB-CE1 4.05Å; L81-F139 HydrophobicContact CB-CZ 3.84Å; L81-F139 HydrophobicContact CD1-CE1 4.44Å; R82-F139 HydrophobicContact CB-CE2 4.22Å; R82-F139 HydrophobicContact CB-CZ 4.43Å; L85-F139 HydrophobicContact CD1-CZ 4.43Å; L123-F139 HydrophobicContact CD2-CE2 3.76Å; L123-F139 HydrophobicContact CD2-CZ 4.49Å; F126-F139 HydrophobicContact CB-CD2 4.23Å; F126-F139 HydrophobicContact CD1-CB 4.19Å; F126-F139 HydrophobicContact CD1-CD2 4.13Å; F126-F139 AromaticContact CD2-CD2 3.69Å; F126-F139 HydrophobicContact CD2-CD2 3.69Å; F126-F139 HydrophobicContact CD2-CE2 4.35Å; F126-F139 HydrophobicContact CE1-CB 3.91Å; F126-F139 HydrophobicContact CE1-CD2 4.43Å; F126-F139 HydrophobicContact CE2-CD2 4.01Å; F126-F139 AromaticContact CG-CD2 3.75Å; F126-F139 HydrophobicContact CG-CD2 3.75Å; F126-F139 HydrophobicContact CG-CE2 4.48Å; F126-F139 HydrophobicContact CZ-CB 4.11Å; F126-F139 HydrophobicContact CZ-CD2 4.38Å; I135-F139 VanDerWaalsContact O-CB 3.23Å; I135-F139 WeakPolarHBondContact O-CB 3.33Å; I135-F139 PolarHBondContact O-N 2.76Å; S136-F139 PolarHBondContact O-N 2.95Å; N137-F139 VanDerWaalsContact C-N 3.31Å; N137-F139 PolarHBondContact O-N 2.92Å; F139-A141 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.01Å; F139-Q142 WeakPolarHBondContact O-CB 3.38Å; F139-Q142 PolarHBondContact O-N 3.38Å; F139-L143 HydrophobicContact CD1-CD1 4.01Å; F139-L143 HydrophobicContact CD1-CG 4.25Å; F139-L143 HydrophobicContact CE1-CD1 3.52Å; F139-L143 HydrophobicContact CE1-CD2 4.38Å; F139-L143 HydrophobicContact CE1-CG 4Å; F139-L143 HydrophobicContact CE2-CD2 4.19Å; F139-L143 HydrophobicContact CE2-CG 4.43Å; F139-L143 HydrophobicContact CZ-CD1 3.94Å; F139-L143 HydrophobicContact CZ-CD2 3.97Å; F139-L143 HydrophobicContact CZ-CG 4.09Å; F139-L143 WeakPolarHBondContact O-CG 3.49Å; F139-L143 PolarHBondContact O-N 2.99Å; F139-H199 AromaticContact CD1-NE2 3.76Å
140T90Very high91.4Very high14 Ų1449.5 Ų49.59%0.08626%0.261CS..Hα-helixtrans-62.1-40.2177.9-59.40000112S136 N137 L143 T144 H199 I204S136-T140 WeakPolarHBondContact O-CB 3.29Å; S136-T140 PolarHBondContact O-N 3.22Å; S136-T140 PolarHBondContact O-OG1 3.5Å; N137-T140 PolarHBondContact O-N 3.39Å; T140-L143 PolarHBondContact O-N 3.3Å; T140-T144 PolarHBondContact O-N 3.07Å; T140-T144 PolarHBondContact O-OG1 3Å; T140-H199 PolarHBondContact OG1-NE2 3.14Å; T140-I204 HydrophobicContact CG2-CG1 4.09Å
141A91.6Very high91.2Very high50 Ų5043.4 Ų43.441%0.41323%0.234SC..Hα-helixtrans-63.3-44.5174.100000111.1N137 D138 F139 L143 T144 Q145N137-A141 WeakPolarHBondContact O-CB 3.47Å; N137-A141 PolarHBondContact O-N 2.91Å; D138-A141 PolarHBondContact O-N 2.83Å; F139-A141 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.01Å; A141-L143 PolarHBondContact O-N 3.27Å; A141-T144 WeakPolarHBondContact O-CB 3.42Å; A141-T144 PolarHBondContact O-N 3.13Å; A141-Q145 PolarHBondContact O-N 2.8Å
142Q94Very high91.2Very high24 Ų2444.8 Ų44.811%0.11225%0.247CC..Hα-helixtrans-62-43.5175.9-167.265.862.300112D122 F126 D138 F139 T144 Q145 I146D122-Q142 HydrophobicContact CB-CG 3.83Å; D122-Q142 PolarHBondContact OD2-NE2 2.84Å; F126-Q142 HydrophobicContact CE2-CB 3.97Å; F126-Q142 HydrophobicContact CE2-CG 4.08Å; F126-Q142 HydrophobicContact CZ-CB 4.33Å; D138-Q142 WeakPolarHBondContact O-CB 3.41Å; D138-Q142 PolarHBondContact O-N 3.4Å; F139-Q142 WeakPolarHBondContact O-CB 3.38Å; F139-Q142 PolarHBondContact O-N 3.38Å; Q142-T144 VanDerWaalsContact C-N 3.26Å; Q142-T144 PolarHBondContact O-N 3.22Å; Q142-Q145 VanDerWaalsContact NE2-OE1 3.09Å; Q142-Q145 WeakPolarHBondContact O-CB 3.41Å; Q142-Q145 PolarHBondContact O-N 3.38Å; Q142-Q145 VanDerWaalsContact O-N 3.17Å; Q142-I146 HydrophobicContact CG-CD1 4.27Å; Q142-I146 VanDerWaalsContact O-CG1 3.31Å; Q142-I146 WeakPolarHBondContact O-CG1 3.5Å; Q142-I146 PolarHBondContact O-N 3.37Å
143L93Very high91.3Very high1 Ų141.7 Ų41.71%0.00523%0.23CC..Hα-helixtrans-59.7-38.3175.3-70.4-168.3000112.1L85 L123 F139 T140 A141 I146 V147 I196 H199L85-L143 HydrophobicContact CD1-CD2 3.48Å; L85-L143 VanDerWaalsContact CD1-CD2 3.48Å; L123-L143 HydrophobicContact CD2-CD2 3.82Å; F139-L143 HydrophobicContact CD1-CD1 4.01Å; F139-L143 HydrophobicContact CD1-CG 4.25Å; F139-L143 HydrophobicContact CE1-CD1 3.52Å; F139-L143 HydrophobicContact CE1-CD2 4.38Å; F139-L143 HydrophobicContact CE1-CG 4Å; F139-L143 HydrophobicContact CE2-CD2 4.19Å; F139-L143 HydrophobicContact CE2-CG 4.43Å; F139-L143 HydrophobicContact CZ-CD1 3.94Å; F139-L143 HydrophobicContact CZ-CD2 3.97Å; F139-L143 HydrophobicContact CZ-CG 4.09Å; F139-L143 WeakPolarHBondContact O-CG 3.49Å; F139-L143 PolarHBondContact O-N 2.99Å; T140-L143 PolarHBondContact O-N 3.3Å; A141-L143 PolarHBondContact O-N 3.27Å; L143-I146 HydrophobicContact CD2-CD1 4.36Å; L143-I146 PolarHBondContact O-N 3.2Å; L143-V147 WeakPolarHBondContact O-CG2 3.28Å; L143-V147 PolarHBondContact O-N 2.78Å; L143-I196 HydrophobicContact CB-CG2 3.8Å; L143-I196 HydrophobicContact CD1-CG1 4.44Å; L143-I196 HydrophobicContact CD1-CG2 4.29Å; L143-I196 HydrophobicContact CD2-CD1 4.32Å; L143-I196 HydrophobicContact CD2-CG1 4.16Å; L143-H199 HydrophobicContact CD1-CB 4.31Å
144T90.4Very high91.4Very high27 Ų2740 Ų4017%0.16622%0.218CC..Hα-helixtrans-64.7-42.6175.6-60.10000111.4T140 A141 Q142 I146 V147 N148T140-T144 PolarHBondContact O-N 3.07Å; T140-T144 PolarHBondContact O-OG1 3Å; A141-T144 WeakPolarHBondContact O-CB 3.42Å; A141-T144 PolarHBondContact O-N 3.13Å; Q142-T144 VanDerWaalsContact C-N 3.26Å; Q142-T144 PolarHBondContact O-N 3.22Å; T144-I146 VanDerWaalsContact C-N 3.35Å; T144-I146 PolarHBondContact O-N 3.47Å; T144-V147 PolarHBondContact O-N 3.4Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 2.95Å; T144-N148 PolarHBondContact O-ND2 2.9Å
145Q93Very high91.4Very high103 Ų10338.8 Ų38.848%0.48121%0.209SC..Hα-helixtrans-61.3-42.5173.6-67.8179.61.100111.9A141 Q142 V147 N148 R149A141-Q145 PolarHBondContact O-N 2.8Å; Q142-Q145 VanDerWaalsContact NE2-OE1 3.09Å; Q142-Q145 WeakPolarHBondContact O-CB 3.41Å; Q142-Q145 PolarHBondContact O-N 3.38Å; Q142-Q145 VanDerWaalsContact O-N 3.17Å; Q145-V147 PolarHBondContact O-N 2.89Å; Q145-N148 PolarHBondContact O-N 2.85Å; Q145-R149 WeakPolarHBondContact O-CB 3.39Å; Q145-R149 PolarHBondContact O-N 2.67Å
146I93.9Very high91.4Very high4 Ų437.8 Ų37.82%0.02120%0.204CC..Hα-helixtrans-60.3-45.5177.7-69.6170.3000111.1S119 D122 L123 Q142 L143 T144 R149 H150 I196S119-I146 WeakPolarHBondContact OG-CG1 3.35Å; S119-I146 WeakPolarHBondContact OG-CG2 3.36Å; D122-I146 HydrophobicContact CB-CD1 4.37Å; L123-I146 HydrophobicContact CD1-CD1 4.02Å; L123-I146 HydrophobicContact CD2-CD1 3.86Å; L123-I146 HydrophobicContact CG-CD1 3.67Å; Q142-I146 HydrophobicContact CG-CD1 4.27Å; Q142-I146 VanDerWaalsContact O-CG1 3.31Å; Q142-I146 WeakPolarHBondContact O-CG1 3.5Å; Q142-I146 PolarHBondContact O-N 3.37Å; L143-I146 HydrophobicContact CD2-CD1 4.36Å; L143-I146 PolarHBondContact O-N 3.2Å; T144-I146 VanDerWaalsContact C-N 3.35Å; T144-I146 PolarHBondContact O-N 3.47Å; I146-R149 PolarHBondContact O-N 3.45Å; I146-H150 PolarHBondContact O-N 3.46Å; I146-H150 VanDerWaalsContact O-N 3.1Å; I146-H150 PolarHBondContact O-ND1 3.12Å; I146-I196 HydrophobicContact CG2-CD1 4.05Å
147V90.3Very high91.6Very high13 Ų1337.9 Ų37.98%0.07921%0.205CC..Hα-helixtrans-60.9-46.4176.5169.70000110.9L143 T144 Q145 R149 H150 N151 I196L143-V147 WeakPolarHBondContact O-CG2 3.28Å; L143-V147 PolarHBondContact O-N 2.78Å; T144-V147 PolarHBondContact O-N 3.4Å; Q145-V147 PolarHBondContact O-N 2.89Å; V147-R149 PolarHBondContact O-N 3.12Å; V147-H150 CarbonylContact O-C 3.59Å; V147-H150 PolarHBondContact O-N 3.1Å; V147-H150 VanDerWaalsContact O-N 3.15Å; V147-N151 PolarHBondContact O-N 3.37Å; V147-N151 PolarHBondContact O-OD1 2.89Å; V147-I196 HydrophobicContact CG2-CB 4Å; V147-I196 HydrophobicContact CG2-CD1 3.99Å; V147-I196 HydrophobicContact CG2-CG2 3.38Å
148N91.4Very high91.6Very high80 Ų8033.4 Ų33.443%0.42818%0.181SC..Hα-helixtrans-62.5-42.8179.6-69.5-17.6000112T144 Q145 H150 N151T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 2.95Å; T144-N148 PolarHBondContact O-ND2 2.9Å; Q145-N148 PolarHBondContact O-N 2.85Å; N148-H150 PolarHBondContact O-N 2.64Å; N148-N151 WeakPolarHBondContact O-CB 3.47Å; N148-N151 PolarHBondContact O-N 3.11Å
149R94.8Very high91.5Very high39 Ų3933.9 Ų33.915%0.14718%0.18CC..Hα-helixtrans-58.1-36.9174.7-173.7-175.7-61.1119.20.4112.1W115 E118 S119 D122 Q145 I146 V147W115-R149 HydrophobicContact CB-CG 3.98Å; W115-R149 HydrophobicContact CD2-CG 4.46Å; W115-R149 HydrophobicContact CG-CG 3.8Å; E118-R149 VanDerWaalsContact CD-CZ 3.44Å; E118-R149 VanDerWaalsContact CD-NH2 3.35Å; E118-R149 IonicContact OE1-CZ 2.71Å; E118-R149 IonicContact OE1-NE 3.59Å; E118-R149 PolarHBondContact OE1-NE 3.41Å; E118-R149 IonicContact OE1-NH2 2.75Å; E118-R149 PolarHBondContact OE1-NH2 3.48Å; E118-R149 IonicContact OE2-NE 3.88Å; E118-R149 PolarHBondContact OE2-NE 3.26Å; S119-R149 PolarHBondContact OG-NH1 3.21Å; D122-R149 IonicContact OD2-CZ 2.8Å; D122-R149 IonicContact OD2-NH1 3.05Å; D122-R149 PolarHBondContact OD2-NH1 3.31Å; D122-R149 IonicContact OD2-NH2 2.81Å; D122-R149 PolarHBondContact OD2-NH2 3.18Å; Q145-R149 WeakPolarHBondContact O-CB 3.39Å; Q145-R149 PolarHBondContact O-N 2.67Å; I146-R149 PolarHBondContact O-N 3.45Å; V147-R149 PolarHBondContact O-N 3.12Å
150H93.5Very high91.4Very high16 Ų1633.9 Ų33.97%0.07418%0.18CC..THydrogen-bonded Turntrans-91.17-176.5-72.469.3000114.1Y116 S119 I146 V147 N148 T152 V153 R189Y116-H150 AromaticContact CD2-NE2 3.56Å; Y116-H150 AromaticContact CE2-CD2 3.69Å; Y116-H150 AromaticContact CE2-NE2 3.6Å; Y116-H150 AromaticContact CG-NE2 3.93Å; Y116-H150 AromaticContact CZ-CD2 3.95Å; Y116-H150 AromaticContact CZ-NE2 3.97Å; S119-H150 PolarHBondContact OG-CE1 2.91Å; I146-H150 PolarHBondContact O-N 3.46Å; I146-H150 VanDerWaalsContact O-N 3.1Å; I146-H150 PolarHBondContact O-ND1 3.12Å; V147-H150 CarbonylContact O-C 3.59Å; V147-H150 PolarHBondContact O-N 3.1Å; V147-H150 VanDerWaalsContact O-N 3.15Å; N148-H150 PolarHBondContact O-N 2.64Å; H150-T152 PolarHBondContact O-N 3.22Å; H150-V153 HydrophobicContact CB-CG2 3.96Å; H150-V153 WeakPolarHBondContact O-CG2 3.45Å; H150-V153 PolarHBondContact O-N 3.07Å; H150-R189 PolarHBondContact O-NE 3.35Å; H150-R189 PolarHBondContact O-NH2 3.13Å
151N88.9Confident91.5Very high38 Ų3833.2 Ų33.220%0.20318%0.176CC..THydrogen-bonded Turntrans-62.1-42.9-174.3-89.6-20.4000112.7V147 N148 R189V147-N151 PolarHBondContact O-N 3.37Å; V147-N151 PolarHBondContact O-OD1 2.89Å; N148-N151 WeakPolarHBondContact O-CB 3.47Å; N148-N151 PolarHBondContact O-N 3.11Å; N151-R189 PolarHBondContact O-NH2 3.02Å
152T90.9Very high91.3Very high70 Ų7034.1 Ų34.143%0.42917%0.173SC..THydrogen-bonded Turntrans-96.113.4-174.360.20000114W115 H150 V154 E155 T156W115-T152 WeakPolarHBondContact CH2-OG1 3.41Å; H150-T152 PolarHBondContact O-N 3.22Å; T152-V154 PolarHBondContact O-N 3.08Å; T152-E155 WeakPolarHBondContact CA-OE2 3.49Å; T152-E155 PolarHBondContact O-N 3.13Å; T152-T156 WeakPolarHBondContact O-CB 3.16Å; T152-T156 PolarHBondContact O-N 3.09Å; T152-T156 PolarHBondContact O-OG1 3.04Å
153V91.7Very high91.2Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-59.2-33.5-175.2164.10000112.9V112 W115 H150 M157 F185V112-V153 HydrophobicContact CG1-CG1 4.18Å; W115-V153 HydrophobicContact CE3-CG2 3.72Å; W115-V153 HydrophobicContact CZ3-CG2 3.87Å; H150-V153 HydrophobicContact CB-CG2 3.96Å; H150-V153 WeakPolarHBondContact O-CG2 3.45Å; H150-V153 PolarHBondContact O-N 3.07Å; V153-M157 WeakPolarHBondContact O-CB 3.5Å; V153-M157 PolarHBondContact O-N 3.18Å; V153-F185 HydrophobicContact CG1-CE1 3.56Å; V153-F185 HydrophobicContact CG1-CZ 3.53Å
154V88.8Confident91.1Very high25 Ų2536.1 Ų36.115%0.15218%0.182CC..Hα-helixtrans-70.9-46.6-178.2178.40000110T152 A158 Y186 Y376T152-V154 PolarHBondContact O-N 3.08Å; V154-A158 WeakPolarHBondContact O-CB 3.47Å; V154-A158 PolarHBondContact O-N 3.48Å; V154-Y186 HydrophobicContact CB-CE1 4.31Å; V154-Y186 HydrophobicContact CG1-CE1 4.45Å; V154-Y186 HydrophobicContact CG2-CD1 4.07Å; V154-Y186 HydrophobicContact CG2-CE1 3.78Å; V154-Y376 HydrophobicContact CG1-CD1 3.42Å; V154-Y376 VanDerWaalsContact CG1-CD1 3.42Å; V154-Y376 HydrophobicContact CG1-CE1 3.95Å; V154-Y376 HydrophobicContact CG1-CG 4.21Å
155E89.4Confident91.1Very high91 Ų9140 Ų4043%0.42520%0.197SC..Hα-helixtrans-63.5-50.9178.9-6180.9177.800110.5T152 M157 A158 E159T152-E155 WeakPolarHBondContact CA-OE2 3.49Å; T152-E155 PolarHBondContact O-N 3.13Å; E155-M157 PolarHBondContact O-N 3.04Å; E155-A158 WeakPolarHBondContact O-CB 3.28Å; E155-A158 PolarHBondContact O-N 3.02Å; E155-A158 VanDerWaalsContact O-N 3.13Å; E155-E159 WeakPolarHBondContact O-CG 3.31Å; E155-E159 PolarHBondContact O-N 3.28Å
156T91.5Very high90.9Very high12 Ų1239.5 Ų39.57%0.07421%0.21CC..Hα-helixtrans-64.1-39.7179-53.60000112S108 L111 V112 W115 T152 A158 E159 G160S108-T156 VanDerWaalsContact CB-O 3.26Å; S108-T156 WeakPolarHBondContact CB-O 3.41Å; S108-T156 WeakPolarHBondContact O-CG2 3.23Å; L111-T156 HydrophobicContact CD2-CG2 4.18Å; V112-T156 HydrophobicContact CG2-CG2 3.81Å; W115-T156 HydrophobicContact CH2-CG2 4.13Å; W115-T156 HydrophobicContact CZ3-CG2 4.29Å; T152-T156 WeakPolarHBondContact O-CB 3.16Å; T152-T156 PolarHBondContact O-N 3.09Å; T152-T156 PolarHBondContact O-OG1 3.04Å; T156-A158 VanDerWaalsContact C-N 3.33Å; T156-A158 PolarHBondContact O-N 3.15Å; T156-E159 WeakPolarHBondContact O-CB 3.4Å; T156-E159 PolarHBondContact O-N 3.21Å; T156-G160 PolarHBondContact O-N 3.06Å
157M91.6Very high90.7Very high2 Ų242.8 Ų42.81%0.0123%0.233CC..Hα-helixtrans-68.8-33.2175.5-176.664.681.800111.9V112 V153 E155 G160 L161 F181 L182 F185 Y186V112-M157 HydrophobicContact CB-CE 4.4Å; V112-M157 HydrophobicContact CG1-CE 4.02Å; V153-M157 WeakPolarHBondContact O-CB 3.5Å; V153-M157 PolarHBondContact O-N 3.18Å; E155-M157 PolarHBondContact O-N 3.04Å; M157-G160 PolarHBondContact O-N 3.1Å; M157-L161 PolarHBondContact O-N 3.13Å; M157-L161 VanDerWaalsContact O-N 3.14Å; M157-F181 HydrophobicContact CE-CE1 4.14Å; M157-L182 HydrophobicContact CG-CD2 3.75Å; M157-L182 HydrophobicContact SD-CD2 4.47Å; M157-F185 HydrophobicContact CE-CD1 4.47Å; M157-F185 HydrophobicContact CE-CE1 4.01Å; M157-F185 HydrophobicContact CE-CE2 4.45Å; M157-F185 HydrophobicContact CE-CZ 4.01Å; M157-Y186 VanDerWaalsContact CB-OH 3.32Å; M157-Y186 WeakPolarHBondContact CB-OH 3.34Å; M157-Y186 VanDerWaalsContact CG-OH 3.27Å; M157-Y186 WeakPolarHBondContact CG-OH 3.38Å
158A90Very high90.5Very high1 Ų148.4 Ų48.41%0.00826%0.259CS..Hα-helixtrans-64.9-42.7172.700000112V154 E155 T156 G160 L161 M162 L374 Y376V154-A158 WeakPolarHBondContact O-CB 3.47Å; V154-A158 PolarHBondContact O-N 3.48Å; E155-A158 WeakPolarHBondContact O-CB 3.28Å; E155-A158 PolarHBondContact O-N 3.02Å; E155-A158 VanDerWaalsContact O-N 3.13Å; T156-A158 VanDerWaalsContact C-N 3.33Å; T156-A158 PolarHBondContact O-N 3.15Å; A158-G160 VanDerWaalsContact C-N 3.32Å; A158-G160 PolarHBondContact O-N 3.33Å; A158-L161 PolarHBondContact O-N 3.39Å; A158-M162 WeakPolarHBondContact O-CG 3.35Å; A158-M162 PolarHBondContact O-N 2.73Å; A158-M162 VanDerWaalsContact O-N 3.11Å; A158-L374 HydrophobicContact CB-CD1 3.89Å; A158-Y376 VanDerWaalsContact CA-OH 3.31Å; A158-Y376 WeakPolarHBondContact CA-OH 3.29Å; A158-Y376 HydrophobicContact CB-CD2 4.35Å; A158-Y376 HydrophobicContact CB-CE1 4.2Å; A158-Y376 HydrophobicContact CB-CE2 3.63Å; A158-Y376 WeakPolarHBondContact CB-OH 3.45Å
159E90Very high90.3Very high101 Ų10146.3 Ų46.347%0.47226%0.255SS..Hα-helixtrans-57.1-45.3171.2-70.9168176.100111E155 T156 L161 M162 E163E155-E159 WeakPolarHBondContact O-CG 3.31Å; E155-E159 PolarHBondContact O-N 3.28Å; T156-E159 WeakPolarHBondContact O-CB 3.4Å; T156-E159 PolarHBondContact O-N 3.21Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.26Å; E159-M162 WeakPolarHBondContact O-CB 3.24Å; E159-M162 PolarHBondContact O-N 3.3Å; E159-E163 WeakPolarHBondContact O-CG 3.25Å; E159-E163 PolarHBondContact O-N 2.92Å
160G91.1Very high89.9Confident0 Ų046 Ų460%026%0.257CS..Hα-helixtrans-58.1-36.7176.900000114.1L103 T106 T156 M157 A158 E163 M164L103-G160 WeakPolarHBondContact CD1-O 3.34Å; T106-G160 WeakPolarHBondContact OG1-CA 3.33Å; T156-G160 PolarHBondContact O-N 3.06Å; M157-G160 PolarHBondContact O-N 3.1Å; A158-G160 VanDerWaalsContact C-N 3.32Å; A158-G160 PolarHBondContact O-N 3.33Å; G160-E163 WeakPolarHBondContact CA-OE2 3.36Å; G160-M164 PolarHBondContact O-N 3.39Å
161L90.9Very high89.6Confident0 Ų048.9 Ų48.90%027%0.272CS..Hα-helixtrans-71.4-35.4174.2-69.1173.9000113L103 M157 A158 E159 M164 K165 I178 L182 L353 Y376L103-L161 HydrophobicContact CD1-CD2 3.85Å; L103-L161 HydrophobicContact CD1-CG 4.43Å; L103-L161 HydrophobicContact CD2-CD2 3.69Å; L103-L161 HydrophobicContact CG-CD2 4.44Å; M157-L161 PolarHBondContact O-N 3.13Å; M157-L161 VanDerWaalsContact O-N 3.14Å; A158-L161 PolarHBondContact O-N 3.39Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.26Å; L161-M164 PolarHBondContact O-N 3.03Å; L161-K165 WeakPolarHBondContact O-CB 3.31Å; L161-K165 PolarHBondContact O-N 3.29Å; L161-I178 HydrophobicContact CD1-CG2 4.32Å; L161-I178 HydrophobicContact CD2-CD1 4.09Å; L161-I178 HydrophobicContact CD2-CG2 3.6Å; L161-L182 HydrophobicContact CD1-CD1 3.51Å; L161-L182 HydrophobicContact CD1-CD2 4.48Å; L161-L353 HydrophobicContact CB-CD2 4Å; L161-L353 HydrophobicContact CD1-CD2 4.33Å; L161-Y376 WeakPolarHBondContact CD1-OH 3.33Å
162M89Confident89.4Confident70 Ų7051.7 Ų51.735%0.34529%0.293SS..Hα-helixtrans-67.2-41.1174.9-65.2-58.8130.700111.1A158 E159 K165 A166 L353A158-M162 WeakPolarHBondContact O-CG 3.35Å; A158-M162 PolarHBondContact O-N 2.73Å; A158-M162 VanDerWaalsContact O-N 3.11Å; E159-M162 WeakPolarHBondContact O-CB 3.24Å; E159-M162 PolarHBondContact O-N 3.3Å; M162-K165 PolarHBondContact O-N 3Å; M162-A166 WeakPolarHBondContact O-CB 3.22Å; M162-A166 PolarHBondContact O-N 3.43Å; M162-L353 HydrophobicContact CE-CD2 3.55Å
163E91.5Very high89.1Confident64 Ų6450 Ų5030%0.29928%0.282SS..Hα-helixtrans-58.1-46.6172.9-69.7165.6172.800111.5T106 P107 S108 E159 G160 A166 S167T106-E163 WeakPolarHBondContact CB-OE2 3.41Å; T106-E163 HydrophobicContact CG2-CB 3.88Å; T106-E163 PolarHBondContact OG1-OE2 3.21Å; T106-E163 VanDerWaalsContact OG1-OE2 3.06Å; P107-E163 WeakPolarHBondContact CD-OE2 3.46Å; S108-E163 VanDerWaalsContact CB-OE2 3.32Å; S108-E163 WeakPolarHBondContact CB-OE2 3.47Å; S108-E163 PolarHBondContact N-OE2 2.89Å; S108-E163 VanDerWaalsContact OG-CD 3.3Å; S108-E163 PolarHBondContact OG-OE1 3.41Å; S108-E163 PolarHBondContact OG-OE2 3.03Å; E159-E163 WeakPolarHBondContact O-CG 3.25Å; E159-E163 PolarHBondContact O-N 2.92Å; G160-E163 WeakPolarHBondContact CA-OE2 3.36Å; E163-A166 PolarHBondContact O-N 3.14Å; E163-S167 WeakPolarHBondContact O-CB 3.12Å; E163-S167 PolarHBondContact O-N 3.47Å; E163-S167 VanDerWaalsContact O-N 3.13Å; E163-S167 PolarHBondContact O-OG 3.01Å
164M91.2Very high88.9Confident2 Ų251.3 Ų51.31%0.0129%0.29CS..Hα-helixtrans-62.5-46.1175.8175.2-175158.900111.5L103 T106 G160 L161 A166 S167 H168 I170 T174 I178L103-M164 HydrophobicContact CB-SD 3.63Å; L103-M164 HydrophobicContact CD1-CB 4.19Å; L103-M164 HydrophobicContact CD1-SD 4.21Å; L103-M164 HydrophobicContact CG-SD 4.34Å; T106-M164 HydrophobicContact CG2-CB 4.11Å; G160-M164 PolarHBondContact O-N 3.39Å; L161-M164 PolarHBondContact O-N 3.03Å; M164-A166 VanDerWaalsContact C-N 3.32Å; M164-A166 PolarHBondContact O-N 3.09Å; M164-S167 PolarHBondContact O-N 3.04Å; M164-S167 PolarHBondContact O-OG 3.42Å; M164-H168 PolarHBondContact O-N 2.55Å; M164-I170 HydrophobicContact CE-CD1 4.32Å; M164-I170 HydrophobicContact CE-CG1 3.92Å; M164-T174 HydrophobicContact CE-CG2 3.43Å; M164-T174 VanDerWaalsContact CE-CG2 3.43Å; M164-I178 HydrophobicContact CE-CD1 3.62Å; M164-I178 HydrophobicContact SD-CD1 3.79Å
165K89Confident88.8Confident109 Ų10953.3 Ų53.347%0.47430%0.298SS..Hα-helixtrans-60.8-41.1179.9-174-179.7177.2-176.60111.9L161 M162 G169 I170L161-K165 WeakPolarHBondContact O-CB 3.31Å; L161-K165 PolarHBondContact O-N 3.29Å; M162-K165 PolarHBondContact O-N 3Å; K165-G169 WeakPolarHBondContact O-CA 3.32Å; K165-G169 PolarHBondContact O-N 3.48Å; K165-G169 VanDerWaalsContact O-N 3.14Å; K165-I170 HydrophobicContact CB-CD1 3.79Å; K165-I170 HydrophobicContact CB-CG1 4.06Å; K165-I170 HydrophobicContact CG-CD1 4.26Å; K165-I170 HydrophobicContact CG-CG1 4.3Å
166A89.1Confident88.8Confident92 Ų9256 Ų5676%0.7631%0.308SS*.Hα-helixtrans-69.2-35.1179.100000112.9M162 E163 M164M162-A166 WeakPolarHBondContact O-CB 3.22Å; M162-A166 PolarHBondContact O-N 3.43Å; E163-A166 PolarHBondContact O-N 3.14Å; M164-A166 VanDerWaalsContact C-N 3.32Å; M164-A166 PolarHBondContact O-N 3.09Å
167S89.9Confident88.6Confident73 Ų7356.7 Ų56.751%0.5131%0.312SS..Hα-helixtrans-88.4-40.4-174.251.70000114.3E163 M164E163-S167 WeakPolarHBondContact O-CB 3.12Å; E163-S167 PolarHBondContact O-N 3.47Å; E163-S167 VanDerWaalsContact O-N 3.13Å; E163-S167 PolarHBondContact O-OG 3.01Å; M164-S167 PolarHBondContact O-N 3.04Å; M164-S167 PolarHBondContact O-OG 3.42Å
168H87.3Confident88.5Confident132 Ų13256.8 Ų56.861%0.61131%0.312SS*.Hα-helixtrans-122.5-9.8-171.4-62.182.1000113.6M164M164-H168 PolarHBondContact O-N 2.55Å
169G87.2Confident88.6Confident35 Ų3558 Ų5836%0.36132%0.317SS..  trans67.3177.1-16300000112.1K165K165-G169 WeakPolarHBondContact O-CA 3.32Å; K165-G169 PolarHBondContact O-N 3.48Å; K165-G169 VanDerWaalsContact O-N 3.14Å
170I85.3Confident88.7Confident34 Ų3455.9 Ų55.917%0.17431%0.307CS..  trans-138.4109.1177.1-53.9-175.5000107.5M164 K165 T174 Q175 I178 L353M164-I170 HydrophobicContact CE-CD1 4.32Å; M164-I170 HydrophobicContact CE-CG1 3.92Å; K165-I170 HydrophobicContact CB-CD1 3.79Å; K165-I170 HydrophobicContact CB-CG1 4.06Å; K165-I170 HydrophobicContact CG-CD1 4.26Å; K165-I170 HydrophobicContact CG-CG1 4.3Å; I170-T174 HydrophobicContact CG2-CG2 4.22Å; I170-Q175 HydrophobicContact CG2-CB 3.84Å; I170-I178 HydrophobicContact CG2-CD1 4.4Å; I170-L353 HydrophobicContact CD1-CD1 3.48Å; I170-L353 VanDerWaalsContact CD1-CD1 3.48Å; I170-L353 HydrophobicContact CD1-CD2 4.32Å; I170-L353 HydrophobicContact CG2-CD1 4.26Å
171D86.5Confident88.8Confident75 Ų7556 Ų5640%0.40131%0.307SS..  trans-75161.117471.386.3000111.2V173 T174 Q175D171-V173 PolarHBondContact O-N 2.84Å; D171-V173 VanDerWaalsContact O-N 3.17Å; D171-V173 WeakPolarHBondContact OD1-CA 3.12Å; D171-V173 WeakPolarHBondContact OD1-CB 3.39Å; D171-V173 PolarHBondContact OD1-N 3.29Å; D171-T174 PolarHBondContact O-N 3.4Å; D171-T174 PolarHBondContact OD1-N 2.99Å; D171-T174 WeakPolarHBondContact OD2-CB 3.26Å; D171-T174 PolarHBondContact OD2-OG1 3.4Å; D171-Q175 WeakPolarHBondContact O-CB 3.46Å; D171-Q175 PolarHBondContact O-N 3.37Å
172P85.3Confident88.9Confident97 Ų9756 Ų5663%0.6331%0.307SS*.Hα-helixtrans-57-31.7-177.1-27.836.3000115.1K176P172-K176 PolarHBondContact O-N 3.37Å; P172-K176 VanDerWaalsContact O-N 3.12Å
173V85.3Confident89.2Confident34 Ų3454.9 Ų54.921%0.20630%0.303CS..Hα-helixtrans-72.1-49179.8-170.30000109.7D171 Q175 K176 N177 T432 E434D171-V173 PolarHBondContact O-N 2.84Å; D171-V173 VanDerWaalsContact O-N 3.17Å; D171-V173 WeakPolarHBondContact OD1-CA 3.12Å; D171-V173 WeakPolarHBondContact OD1-CB 3.39Å; D171-V173 PolarHBondContact OD1-N 3.29Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.88Å; V173-K176 WeakPolarHBondContact O-CB 3.42Å; V173-K176 PolarHBondContact O-N 3.03Å; V173-K176 VanDerWaalsContact O-N 3.16Å; V173-N177 PolarHBondContact O-N 2.82Å; V173-T432 WeakPolarHBondContact CG1-O 3.28Å; V173-E434 HydrophobicContact CG2-CB 3.7Å; V173-E434 HydrophobicContact CG2-CG 4.36Å
174T86.6Confident89.3Confident29 Ų2953.9 Ų53.918%0.17830%0.296CS..Hα-helixtrans-60.6-41176.1-61.80000111.2P100 M164 I170 D171 K176 N177 I178P100-T174 HydrophobicContact CG-CG2 4.18Å; M164-T174 HydrophobicContact CE-CG2 3.43Å; M164-T174 VanDerWaalsContact CE-CG2 3.43Å; I170-T174 HydrophobicContact CG2-CG2 4.22Å; D171-T174 PolarHBondContact O-N 3.4Å; D171-T174 PolarHBondContact OD1-N 2.99Å; D171-T174 WeakPolarHBondContact OD2-CB 3.26Å; D171-T174 PolarHBondContact OD2-OG1 3.4Å; T174-K176 VanDerWaalsContact C-N 3.34Å; T174-K176 PolarHBondContact O-N 2.93Å; T174-N177 PolarHBondContact O-N 3.32Å; T174-I178 HydrophobicContact CG2-CD1 3.73Å; T174-I178 HydrophobicContact CG2-CG1 4.31Å; T174-I178 WeakPolarHBondContact O-CB 3.47Å; T174-I178 VanDerWaalsContact O-CG1 3.28Å; T174-I178 WeakPolarHBondContact O-CG1 3.37Å; T174-I178 PolarHBondContact O-N 3.39Å
175Q87.6Confident89.5Confident67 Ų6754 Ų5431%0.31330%0.297SS..Hα-helixtrans-57.7-44.6174.3-179.1175-34.800112.1I170 D171 V173 I178 Q179 L353I170-Q175 HydrophobicContact CG2-CB 3.84Å; D171-Q175 WeakPolarHBondContact O-CB 3.46Å; D171-Q175 PolarHBondContact O-N 3.37Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.88Å; Q175-I178 PolarHBondContact O-N 3.32Å; Q175-Q179 WeakPolarHBondContact O-CB 3.4Å; Q175-Q179 PolarHBondContact O-N 2.87Å; Q175-L353 HydrophobicContact CG-CD1 4.37Å
176K88Confident89.8Confident146 Ų14649 Ų4964%0.63528%0.275SS*.Hα-helixtrans-64.3-41.4177.8-174.8-178.9179-179.30112.2P172 V173 T174 Q179 F180P172-K176 PolarHBondContact O-N 3.37Å; P172-K176 VanDerWaalsContact O-N 3.12Å; V173-K176 WeakPolarHBondContact O-CB 3.42Å; V173-K176 PolarHBondContact O-N 3.03Å; V173-K176 VanDerWaalsContact O-N 3.16Å; T174-K176 VanDerWaalsContact C-N 3.34Å; T174-K176 PolarHBondContact O-N 2.93Å; K176-Q179 PolarHBondContact O-N 2.92Å; K176-F180 PolarHBondContact O-N 3.42Å
177N87.9Confident90.1Very high28 Ų2845.4 Ų45.415%0.1524%0.243CC..Hα-helixtrans-67.9-40.8179.4-67.2-13.6000111.4V173 T174 F180 F181 F430V173-N177 PolarHBondContact O-N 2.82Å; T174-N177 PolarHBondContact O-N 3.32Å; N177-F180 PolarHBondContact O-N 2.92Å; N177-F181 PolarHBondContact O-N 3.25Å; N177-F430 PolarHBondContact ND2-O 3.42Å
178I90.3Very high90.3Very high3 Ų342.2 Ų42.22%0.01522%0.221CC..Hα-helixtrans-62.2-44.7172.6-71.6170.9000110.7L161 M164 I170 T174 Q175 F180 F181 L182L161-I178 HydrophobicContact CD1-CG2 4.32Å; L161-I178 HydrophobicContact CD2-CD1 4.09Å; L161-I178 HydrophobicContact CD2-CG2 3.6Å; M164-I178 HydrophobicContact CE-CD1 3.62Å; M164-I178 HydrophobicContact SD-CD1 3.79Å; I170-I178 HydrophobicContact CG2-CD1 4.4Å; T174-I178 HydrophobicContact CG2-CD1 3.73Å; T174-I178 HydrophobicContact CG2-CG1 4.31Å; T174-I178 WeakPolarHBondContact O-CB 3.47Å; T174-I178 VanDerWaalsContact O-CG1 3.28Å; T174-I178 WeakPolarHBondContact O-CG1 3.37Å; T174-I178 PolarHBondContact O-N 3.39Å; Q175-I178 PolarHBondContact O-N 3.32Å; I178-F180 VanDerWaalsContact C-N 3.33Å; I178-F180 PolarHBondContact O-N 3.24Å; I178-F181 WeakPolarHBondContact O-CB 3.39Å; I178-F181 PolarHBondContact O-N 3.38Å; I178-L182 HydrophobicContact CG2-CD1 3.53Å; I178-L182 HydrophobicContact CG2-CG 4.06Å; I178-L182 WeakPolarHBondContact O-CB 3.46Å; I178-L182 VanDerWaalsContact O-CG 3.29Å; I178-L182 WeakPolarHBondContact O-CG 3.35Å; I178-L182 PolarHBondContact O-N 3.02Å
179Q91.8Very high90.7Very high26 Ų2637.2 Ų37.212%0.12120%0.197CC..Hα-helixtrans-58.9-45.1177.1-173.766.735.100111.8Q175 K176 N183 F350 N351 Y352Q175-Q179 WeakPolarHBondContact O-CB 3.4Å; Q175-Q179 PolarHBondContact O-N 2.87Å; K176-Q179 PolarHBondContact O-N 2.92Å; Q179-N183 PolarHBondContact NE2-OD1 3.26Å; Q179-N183 WeakPolarHBondContact O-CB 3.16Å; Q179-N183 PolarHBondContact O-N 3.2Å; Q179-N183 VanDerWaalsContact O-N 3.12Å; Q179-F350 PolarHBondContact NE2-O 3.23Å; Q179-N351 VanDerWaalsContact OE1-CA 3.23Å; Q179-Y352 VanDerWaalsContact NE2-CD2 3.29Å; Q179-Y352 VanDerWaalsContact OE1-CD2 3.25Å; Q179-Y352 VanDerWaalsContact OE1-N 3.07Å
180F92.1Very high91Very high58 Ų5835.8 Ų35.825%0.25418%0.18SC..Hα-helixtrans-61.5-43.7176.3177.3-101.1000111.7K176 N177 I178 R184 M429 F430K176-F180 PolarHBondContact O-N 3.42Å; N177-F180 PolarHBondContact O-N 2.92Å; I178-F180 VanDerWaalsContact C-N 3.33Å; I178-F180 PolarHBondContact O-N 3.24Å; F180-R184 WeakPolarHBondContact O-CG 3.28Å; F180-R184 PolarHBondContact O-N 3.19Å; F180-M429 HydrophobicContact CD1-CB 4.07Å; F180-M429 HydrophobicContact CE1-CB 3.52Å; F180-M429 HydrophobicContact CE1-CG 4.29Å; F180-M429 HydrophobicContact CE2-CB 4.4Å; F180-M429 HydrophobicContact CE2-CE 4.3Å; F180-M429 HydrophobicContact CE2-CG 4.47Å; F180-M429 HydrophobicContact CZ-CB 3.7Å; F180-M429 HydrophobicContact CZ-CG 3.95Å; F180-F430 AromaticContact CD1-CD1 3.93Å; F180-F430 HydrophobicContact CD1-CD1 3.93Å; F180-F430 AromaticContact CD1-CE1 3.48Å; F180-F430 HydrophobicContact CD1-CE1 3.48Å; F180-F430 VanDerWaalsContact CD1-CE1 3.48Å; F180-F430 AromaticContact CD1-CZ 3.91Å; F180-F430 HydrophobicContact CD1-CZ 3.91Å; F180-F430 HydrophobicContact CE1-CD1 4.34Å; F180-F430 AromaticContact CE1-CE1 3.84Å; F180-F430 HydrophobicContact CE1-CE1 3.84Å; F180-F430 HydrophobicContact CE1-CE2 4.22Å; F180-F430 AromaticContact CE1-CZ 3.79Å; F180-F430 HydrophobicContact CE1-CZ 3.79Å
181F92.3Very high91.4Very high1 Ų134.1 Ų34.10%0.00417%0.172CC..Hα-helixtrans-59.2-56174.7172.6-98.2000112.1E95 V96 L99 M157 N177 I178 N183 R184 F185 F430E95-F181 HydrophobicContact CB-CD2 4.44Å; E95-F181 HydrophobicContact CB-CE2 4.17Å; V96-F181 HydrophobicContact CB-CZ 4.45Å; V96-F181 HydrophobicContact CG2-CE2 4.07Å; V96-F181 HydrophobicContact CG2-CZ 3.77Å; L99-F181 HydrophobicContact CD1-CD1 4.16Å; L99-F181 HydrophobicContact CD1-CE1 3.65Å; L99-F181 HydrophobicContact CD1-CE2 4.07Å; L99-F181 HydrophobicContact CD1-CZ 3.6Å; L99-F181 HydrophobicContact CD2-CB 3.89Å; L99-F181 HydrophobicContact CD2-CD1 3.45Å; L99-F181 VanDerWaalsContact CD2-CD1 3.45Å; L99-F181 HydrophobicContact CD2-CD2 3.69Å; L99-F181 HydrophobicContact CD2-CE1 3.86Å; L99-F181 HydrophobicContact CD2-CE2 4.08Å; L99-F181 HydrophobicContact CD2-CG 3.36Å; L99-F181 HydrophobicContact CD2-CZ 4.16Å; L99-F181 HydrophobicContact CG-CD1 4.15Å; L99-F181 HydrophobicContact CG-CD2 3.97Å; L99-F181 HydrophobicContact CG-CE1 4.06Å; L99-F181 HydrophobicContact CG-CE2 3.89Å; L99-F181 HydrophobicContact CG-CG 4.1Å; L99-F181 HydrophobicContact CG-CZ 3.93Å; M157-F181 HydrophobicContact CE-CE1 4.14Å; N177-F181 PolarHBondContact O-N 3.25Å; I178-F181 WeakPolarHBondContact O-CB 3.39Å; I178-F181 PolarHBondContact O-N 3.38Å; F181-N183 VanDerWaalsContact C-N 3.29Å; F181-N183 PolarHBondContact O-N 2.93Å; F181-R184 WeakPolarHBondContact O-CB 3.22Å; F181-R184 PolarHBondContact O-N 3.47Å; F181-F185 HydrophobicContact CD1-CB 4.29Å; F181-F185 HydrophobicContact CE1-CB 3.8Å; F181-F185 HydrophobicContact CE1-CD1 4.48Å; F181-F185 HydrophobicContact CE1-CD2 4.28Å; F181-F185 AromaticContact CE1-CG 3.94Å; F181-F185 HydrophobicContact CE1-CG 3.94Å; F181-F185 HydrophobicContact CE2-CB 4.33Å; F181-F185 HydrophobicContact CZ-CB 3.81Å; F181-F185 AromaticContact CZ-CD2 3.79Å; F181-F185 HydrophobicContact CZ-CD2 3.79Å; F181-F185 AromaticContact CZ-CG 3.89Å; F181-F185 HydrophobicContact CZ-CG 3.89Å; F181-F185 WeakPolarHBondContact O-CB 3.33Å; F181-F185 PolarHBondContact O-N 3.45Å; F181-F430 HydrophobicContact CB-CD1 4.4Å; F181-F430 HydrophobicContact CB-CE1 3.63Å; F181-F430 HydrophobicContact CB-CZ 4.46Å; F181-F430 HydrophobicContact CD2-CE1 4.01Å; F181-F430 HydrophobicContact CD2-CZ 4.17Å; F181-F430 HydrophobicContact CG-CE1 4.32Å
182L93.5Very high91.7Very high0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-61.8-38.5-172.8-69.8171.1000111.8M157 L161 I178 R184 F185 Y186 Y352M157-L182 HydrophobicContact CG-CD2 3.75Å; M157-L182 HydrophobicContact SD-CD2 4.47Å; L161-L182 HydrophobicContact CD1-CD1 3.51Å; L161-L182 HydrophobicContact CD1-CD2 4.48Å; I178-L182 HydrophobicContact CG2-CD1 3.53Å; I178-L182 HydrophobicContact CG2-CG 4.06Å; I178-L182 WeakPolarHBondContact O-CB 3.46Å; I178-L182 VanDerWaalsContact O-CG 3.29Å; I178-L182 WeakPolarHBondContact O-CG 3.35Å; I178-L182 PolarHBondContact O-N 3.02Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 2.92Å; L182-F185 PolarHBondContact O-N 3.02Å; L182-Y186 HydrophobicContact CB-CD2 4.21Å; L182-Y186 HydrophobicContact CB-CE2 3.93Å; L182-Y186 HydrophobicContact CD2-CE2 3.83Å; L182-Y186 HydrophobicContact CG-CE2 4.38Å; L182-Y186 WeakPolarHBondContact O-CB 3.37Å; L182-Y186 WeakPolarHBondContact O-CD2 3.24Å; L182-Y186 PolarHBondContact O-N 3.41Å; L182-Y352 HydrophobicContact CB-CD2 3.5Å; L182-Y352 HydrophobicContact CB-CE1 4.49Å; L182-Y352 HydrophobicContact CB-CE2 3.29Å; L182-Y352 HydrophobicContact CB-CG 4.24Å; L182-Y352 HydrophobicContact CD1-CD1 4.41Å; L182-Y352 HydrophobicContact CD1-CD2 3.39Å; L182-Y352 HydrophobicContact CD1-CE2 4.12Å; L182-Y352 HydrophobicContact CD1-CG 3.59Å; L182-Y352 HydrophobicContact CG-CD2 4.1Å; L182-Y352 HydrophobicContact CG-CE2 4.36Å
183N94.9Very high92.1Very high47 Ų4730.9 Ų30.925%0.25114%0.143SC..Hα-helixtrans-56.8-44.3173.3-78.7-12.2000112.2Q179 F181 L187 Y352 L383Q179-N183 PolarHBondContact NE2-OD1 3.26Å; Q179-N183 WeakPolarHBondContact O-CB 3.16Å; Q179-N183 PolarHBondContact O-N 3.2Å; Q179-N183 VanDerWaalsContact O-N 3.12Å; F181-N183 VanDerWaalsContact C-N 3.29Å; F181-N183 PolarHBondContact O-N 2.93Å; N183-L187 VanDerWaalsContact O-CB 3.22Å; N183-L187 WeakPolarHBondContact O-CB 3.3Å; N183-L187 PolarHBondContact O-N 2.91Å; N183-Y352 VanDerWaalsContact OD1-CE2 3.28Å; N183-Y352 WeakPolarHBondContact OD1-CE2 3.29Å; N183-Y352 PolarHBondContact OD1-OH 2.56Å; N183-L383 HydrophobicContact CB-CD2 4.17Å
184R95.2Very high92.3Very high44 Ų4429.4 Ų29.417%0.16613%0.133CC..Hα-helixtrans-72.8-45.7178.9-64.6173.96482.5-4.1111.2E95 F180 F181 L182 Y186 L187 S188 P420 A421E95-R184 IonicContact OE1-CZ 2.74Å; E95-R184 VanDerWaalsContact OE1-CZ 3.29Å; E95-R184 IonicContact OE1-NE 3.66Å; E95-R184 PolarHBondContact OE1-NE 3.44Å; E95-R184 VanDerWaalsContact OE1-NE 3.11Å; E95-R184 IonicContact OE1-NH2 3.76Å; E95-R184 PolarHBondContact OE1-NH2 3.48Å; E95-R184 IonicContact OE2-CZ 3.51Å; E95-R184 IonicContact OE2-NE 3.33Å; E95-R184 PolarHBondContact OE2-NE 3.3Å; E95-R184 IonicContact OE2-NH2 3.01Å; F180-R184 WeakPolarHBondContact O-CG 3.28Å; F180-R184 PolarHBondContact O-N 3.19Å; F181-R184 WeakPolarHBondContact O-CB 3.22Å; F181-R184 PolarHBondContact O-N 3.47Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 2.92Å; R184-Y186 PolarHBondContact O-N 3.3Å; R184-L187 PolarHBondContact O-N 2.97Å; R184-S188 PolarHBondContact O-N 3.23Å; R184-S188 PolarHBondContact O-OG 2.85Å; R184-P420 HydrophobicContact CB-CB 3.84Å; R184-P420 HydrophobicContact CB-CG 3.98Å; R184-P420 HydrophobicContact CG-CB 3.96Å; R184-P420 WeakPolarHBondContact O-CG 3.49Å; R184-A421 VanDerWaalsContact NH2-C 3.34Å; R184-A421 PolarHBondContact NH2-O 3.43Å
185F94.6Very high92.4Very high3 Ų328.2 Ų28.21%0.01313%0.126CC..Hα-helixtrans-55.4-50.9179.2176.7-105.4000112.1V92 V96 V112 Y116 V153 M157 F181 L182 S188 R189V92-F185 HydrophobicContact CG1-CD2 3.66Å; V92-F185 HydrophobicContact CG1-CE2 3.76Å; V96-F185 HydrophobicContact CG2-CD2 4.2Å; V96-F185 HydrophobicContact CG2-CE2 4.17Å; V112-F185 HydrophobicContact CG1-CE2 4.41Å; V112-F185 HydrophobicContact CG1-CZ 3.79Å; Y116-F185 AromaticContact CE2-CE2 3.67Å; Y116-F185 HydrophobicContact CE2-CE2 3.67Å; Y116-F185 AromaticContact CE2-CZ 3.77Å; Y116-F185 HydrophobicContact CE2-CZ 3.77Å; Y116-F185 AromaticContact CZ-CE2 3.62Å; Y116-F185 AromaticContact CZ-CZ 3.98Å; Y116-F185 WeakPolarHBondContact OH-CE2 3.4Å; V153-F185 HydrophobicContact CG1-CE1 3.56Å; V153-F185 HydrophobicContact CG1-CZ 3.53Å; M157-F185 HydrophobicContact CE-CD1 4.47Å; M157-F185 HydrophobicContact CE-CE1 4.01Å; M157-F185 HydrophobicContact CE-CE2 4.45Å; M157-F185 HydrophobicContact CE-CZ 4.01Å; F181-F185 HydrophobicContact CD1-CB 4.29Å; F181-F185 HydrophobicContact CE1-CB 3.8Å; F181-F185 HydrophobicContact CE1-CD1 4.48Å; F181-F185 HydrophobicContact CE1-CD2 4.28Å; F181-F185 AromaticContact CE1-CG 3.94Å; F181-F185 HydrophobicContact CE1-CG 3.94Å; F181-F185 HydrophobicContact CE2-CB 4.33Å; F181-F185 HydrophobicContact CZ-CB 3.81Å; F181-F185 AromaticContact CZ-CD2 3.79Å; F181-F185 HydrophobicContact CZ-CD2 3.79Å; F181-F185 AromaticContact CZ-CG 3.89Å; F181-F185 HydrophobicContact CZ-CG 3.89Å; F181-F185 WeakPolarHBondContact O-CB 3.33Å; F181-F185 PolarHBondContact O-N 3.45Å; L182-F185 PolarHBondContact O-N 3.02Å; F185-S188 PolarHBondContact O-N 2.79Å; F185-R189 PolarHBondContact O-N 3.03Å
186Y94.9Very high92.5Very high4 Ų425.1 Ų25.12%0.01611%0.112CC..Hα-helixtrans-71.7-33.2179.6-66.5-47.7000112.9V154 M157 L182 R184 R189 I190 Y352 Y376 L383V154-Y186 HydrophobicContact CB-CE1 4.31Å; V154-Y186 HydrophobicContact CG1-CE1 4.45Å; V154-Y186 HydrophobicContact CG2-CD1 4.07Å; V154-Y186 HydrophobicContact CG2-CE1 3.78Å; M157-Y186 VanDerWaalsContact CB-OH 3.32Å; M157-Y186 WeakPolarHBondContact CB-OH 3.34Å; M157-Y186 VanDerWaalsContact CG-OH 3.27Å; M157-Y186 WeakPolarHBondContact CG-OH 3.38Å; L182-Y186 HydrophobicContact CB-CD2 4.21Å; L182-Y186 HydrophobicContact CB-CE2 3.93Å; L182-Y186 HydrophobicContact CD2-CE2 3.83Å; L182-Y186 HydrophobicContact CG-CE2 4.38Å; L182-Y186 WeakPolarHBondContact O-CB 3.37Å; L182-Y186 WeakPolarHBondContact O-CD2 3.24Å; L182-Y186 PolarHBondContact O-N 3.41Å; R184-Y186 PolarHBondContact O-N 3.3Å; Y186-R189 PolarHBondContact O-N 3.42Å; Y186-I190 WeakPolarHBondContact O-CG1 3.27Å; Y186-I190 PolarHBondContact O-N 3.38Å; Y186-Y352 AromaticContact CD2-CE1 3.61Å; Y186-Y352 HydrophobicContact CD2-CE1 3.61Å; Y186-Y352 AromaticContact CD2-CZ 3.69Å; Y186-Y352 HydrophobicContact CE2-CD1 4.08Å; Y186-Y352 AromaticContact CE2-CE1 3.56Å; Y186-Y352 HydrophobicContact CE2-CE1 3.56Å; Y186-Y352 AromaticContact CE2-CZ 3.96Å; Y186-Y376 HydrophobicContact CE2-CD1 4.17Å; Y186-Y376 AromaticContact CE2-CE1 3.67Å; Y186-Y376 HydrophobicContact CE2-CE1 3.67Å; Y186-Y376 AromaticContact CZ-CE1 3.74Å; Y186-Y376 WeakPolarHBondContact OH-CE1 3.5Å; Y186-L383 VanDerWaalsContact CB-CD1 3.43Å; Y186-L383 HydrophobicContact CD2-CD1 4.48Å; Y186-L383 HydrophobicContact CG-CD1 4.45Å
187L95.4Very high92.4Very high17 Ų1718.9 Ų18.99%0.0899%0.086CC..Hα-helixtrans-64.4-42.2174.1-16564.1000111.4N183 R184 R189 I190 S191 L383 Y387 V418N183-L187 VanDerWaalsContact O-CB 3.22Å; N183-L187 WeakPolarHBondContact O-CB 3.3Å; N183-L187 PolarHBondContact O-N 2.91Å; R184-L187 PolarHBondContact O-N 2.97Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 2.92Å; L187-I190 PolarHBondContact O-N 3.41Å; L187-S191 VanDerWaalsContact O-CB 3.26Å; L187-S191 WeakPolarHBondContact O-CB 3.49Å; L187-S191 PolarHBondContact O-N 2.77Å; L187-L383 HydrophobicContact CD1-CB 4.35Å; L187-Y387 HydrophobicContact CD1-CD2 4.06Å; L187-Y387 HydrophobicContact CD1-CG 4.34Å; L187-V418 HydrophobicContact CD2-CB 4.41Å; L187-V418 HydrophobicContact CD2-CG1 4.03Å; L187-V418 WeakPolarHBondContact CD2-O 3.41Å; L187-V418 VanDerWaalsContact CG-O 3.29Å; L187-V418 WeakPolarHBondContact CG-O 2.99Å
188S95.2Very high92.1Very high7 Ų718.4 Ų18.45%0.0498%0.083CC..Hα-helixtrans-60.4-40.2170.6-73.50000112.7V92 R184 F185 S191 I192 P420V92-S188 WeakPolarHBondContact CG2-OG 3.32Å; R184-S188 PolarHBondContact O-N 3.23Å; R184-S188 PolarHBondContact O-OG 2.85Å; F185-S188 PolarHBondContact O-N 2.79Å; S188-S191 WeakPolarHBondContact O-CB 3.44Å; S188-S191 PolarHBondContact O-N 3.45Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 2.89Å; S188-P420 WeakPolarHBondContact OG-CG 3.37Å
189R94.7Very high91.7Very high27 Ų2718.3 Ų18.310%0.1028%0.083CC..Hα-helixtrans-65-44.4177.1-177.3177.9172.6-918111.9H150 N151 F185 Y186 L187 S191 I192 R193H150-R189 PolarHBondContact O-NE 3.35Å; H150-R189 PolarHBondContact O-NH2 3.13Å; N151-R189 PolarHBondContact O-NH2 3.02Å; F185-R189 PolarHBondContact O-N 3.03Å; Y186-R189 PolarHBondContact O-N 3.42Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 2.92Å; R189-S191 PolarHBondContact O-N 2.89Å; R189-I192 PolarHBondContact O-N 3.47Å; R189-R193 WeakPolarHBondContact O-CB 3.26Å; R189-R193 PolarHBondContact O-N 2.71Å
190I93.7Very high91Very high4 Ų420.2 Ų20.22%0.0219%0.089CC..Hα-helixtrans-56.2-46.3173.7-69165.6000109.3Y186 L187 R193 M194 L383 Y384 Y387Y186-I190 WeakPolarHBondContact O-CG1 3.27Å; Y186-I190 PolarHBondContact O-N 3.38Å; L187-I190 PolarHBondContact O-N 3.41Å; I190-R193 PolarHBondContact O-N 3.29Å; I190-M194 WeakPolarHBondContact O-CB 3.24Å; I190-M194 PolarHBondContact O-N 2.74Å; I190-L383 HydrophobicContact CD1-CB 3.89Å; I190-Y384 HydrophobicContact CD1-CD1 3.93Å; I190-Y384 HydrophobicContact CD1-CD2 4.35Å; I190-Y384 HydrophobicContact CD1-CE1 3.99Å; I190-Y384 HydrophobicContact CD1-CE2 4.42Å; I190-Y384 HydrophobicContact CD1-CG 4.12Å; I190-Y384 HydrophobicContact CG1-CD1 4.24Å; I190-Y384 HydrophobicContact CG1-CE1 3.83Å; I190-Y384 HydrophobicContact CG2-CD1 4.08Å; I190-Y384 HydrophobicContact CG2-CE1 3.96Å; I190-Y387 HydrophobicContact CG2-CD1 3.58Å; I190-Y387 HydrophobicContact CG2-CD2 4.23Å; I190-Y387 HydrophobicContact CG2-CE1 3.86Å; I190-Y387 HydrophobicContact CG2-CG 3.77Å
191S93.9Very high89.9Confident0 Ų020.2 Ų20.20%09%0.091CC..Hα-helixtrans-62.2-45.2-179.8-179.20000113.6R88 L187 S188 R189 M194 L195 Y387 E417R88-S191 VanDerWaalsContact CZ-OG 3.31Å; R88-S191 PolarHBondContact NH1-O 3.12Å; R88-S191 VanDerWaalsContact NH1-O 3.14Å; R88-S191 PolarHBondContact NH1-OG 3.09Å; L187-S191 VanDerWaalsContact O-CB 3.26Å; L187-S191 WeakPolarHBondContact O-CB 3.49Å; L187-S191 PolarHBondContact O-N 2.77Å; S188-S191 WeakPolarHBondContact O-CB 3.44Å; S188-S191 PolarHBondContact O-N 3.45Å; R189-S191 PolarHBondContact O-N 2.89Å; S191-M194 PolarHBondContact O-N 3.2Å; S191-L195 PolarHBondContact O-N 2.99Å; S191-Y387 WeakPolarHBondContact CA-OH 3.45Å; S191-E417 PolarHBondContact OG-OE1 3.16Å
192I92.9Very high88.6Confident16 Ų1622.5 Ų22.58%0.08210%0.102CC..Hα-helixtrans-64.4-45.9174.4-70.7163.8000110.7L85 R88 L89 S188 R189 M194 L195 I196L85-I192 HydrophobicContact CD2-CG2 4.14Å; R88-I192 HydrophobicContact CB-CD1 4.07Å; R88-I192 HydrophobicContact CB-CG1 3.8Å; L89-I192 HydrophobicContact CD2-CD1 3.82Å; L89-I192 HydrophobicContact CG-CD1 4.22Å; S188-I192 WeakPolarHBondContact O-CG1 3.27Å; S188-I192 PolarHBondContact O-N 2.89Å; R189-I192 PolarHBondContact O-N 3.47Å; I192-M194 VanDerWaalsContact C-N 3.28Å; I192-M194 PolarHBondContact O-N 3.35Å; I192-L195 PolarHBondContact O-N 2.81Å; I192-I196 HydrophobicContact CG2-CD1 3.76Å; I192-I196 HydrophobicContact CG2-CG1 4.45Å; I192-I196 WeakPolarHBondContact O-CG1 3.48Å; I192-I196 PolarHBondContact O-N 3.42Å
193R92.6Very high87Confident88 Ų8823.5 Ų23.533%0.33211%0.107SC..Hα-helixtrans-62.8-36.5179-174.7174175.4147.4-1.7111.6R189 I190 S197R189-R193 WeakPolarHBondContact O-CB 3.26Å; R189-R193 PolarHBondContact O-N 2.71Å; I190-R193 PolarHBondContact O-N 3.29Å; R193-S197 WeakPolarHBondContact O-CB 3.35Å; R193-S197 PolarHBondContact O-N 3.3Å; R193-S197 PolarHBondContact O-OG 3.32Å
194M90.1Very high85.2Confident2 Ų225.7 Ų25.71%0.0112%0.117CC..Hα-helixtrans-59.3-53175.7-17763.5-173.600111L35 I190 S191 I192 I196 S197 Q198 C236 I237 V287 Y387 F388L35-M194 HydrophobicContact CD1-CE 3.67Å; I190-M194 WeakPolarHBondContact O-CB 3.24Å; I190-M194 PolarHBondContact O-N 2.74Å; S191-M194 PolarHBondContact O-N 3.2Å; I192-M194 VanDerWaalsContact C-N 3.28Å; I192-M194 PolarHBondContact O-N 3.35Å; M194-I196 PolarHBondContact O-N 3.1Å; M194-S197 PolarHBondContact O-N 2.82Å; M194-Q198 HydrophobicContact CE-CG 3.93Å; M194-Q198 WeakPolarHBondContact O-CB 3.45Å; M194-Q198 VanDerWaalsContact O-CG 3.28Å; M194-Q198 WeakPolarHBondContact O-CG 3.44Å; M194-Q198 PolarHBondContact O-N 2.82Å; M194-C236 PolarHBondContact SD-SG 2.96Å; M194-I237 HydrophobicContact CE-CD1 3.7Å; M194-I237 HydrophobicContact CE-CG1 3.71Å; M194-V287 HydrophobicContact CE-CG2 3.58Å; M194-V287 HydrophobicContact SD-CG2 3.9Å; M194-Y387 HydrophobicContact CB-CE1 4.05Å; M194-Y387 WeakPolarHBondContact CB-OH 3.25Å; M194-Y387 HydrophobicContact CG-CE1 4.03Å; M194-Y387 VanDerWaalsContact CG-OH 3.31Å; M194-Y387 WeakPolarHBondContact CG-OH 3.27Å; M194-F388 HydrophobicContact CE-CZ 4.08Å; M194-F388 HydrophobicContact CG-CZ 4.46Å; M194-F388 HydrophobicContact SD-CZ 4.5Å
195L89.4Confident82.6Confident5 Ų527.5 Ų27.53%0.02614%0.136CC..Hα-helixtrans-60.2-46.5178.9-72.5-172.3000112.9L30 F80 L81 E84 L85 R88 S191 I192 Q198 H199L30-L195 HydrophobicContact CD1-CD2 3.85Å; F80-L195 HydrophobicContact CE1-CD1 4.36Å; F80-L195 HydrophobicContact CE1-CD2 4.21Å; L81-L195 HydrophobicContact CD2-CB 3.69Å; L81-L195 HydrophobicContact CD2-CD1 3.81Å; L81-L195 HydrophobicContact CD2-CD2 4.2Å; L81-L195 HydrophobicContact CD2-CG 4.12Å; E84-L195 HydrophobicContact CG-CD1 3.81Å; L85-L195 HydrophobicContact CD2-CB 4.25Å; L85-L195 HydrophobicContact CD2-CD1 4.1Å; R88-L195 VanDerWaalsContact NH1-CG 3.26Å; S191-L195 PolarHBondContact O-N 2.99Å; I192-L195 PolarHBondContact O-N 2.81Å; L195-Q198 PolarHBondContact O-N 2.98Å; L195-H199 PolarHBondContact O-N 2.96Å; L195-H199 VanDerWaalsContact O-N 3.08Å
196I89.4Confident79.8Confident2 Ų233.7 Ų33.71%0.0117%0.168CC..Hα-helixtrans-64.9-42.7179.4-63.9173.6000110.6L85 L143 I146 V147 I192 M194 Q198 H199 R200L85-I196 HydrophobicContact CD1-CG1 4.12Å; L85-I196 HydrophobicContact CD2-CG1 4.17Å; L143-I196 HydrophobicContact CB-CG2 3.8Å; L143-I196 HydrophobicContact CD1-CG1 4.44Å; L143-I196 HydrophobicContact CD1-CG2 4.29Å; L143-I196 HydrophobicContact CD2-CD1 4.32Å; L143-I196 HydrophobicContact CD2-CG1 4.16Å; I146-I196 HydrophobicContact CG2-CD1 4.05Å; V147-I196 HydrophobicContact CG2-CB 4Å; V147-I196 HydrophobicContact CG2-CD1 3.99Å; V147-I196 HydrophobicContact CG2-CG2 3.38Å; I192-I196 HydrophobicContact CG2-CD1 3.76Å; I192-I196 HydrophobicContact CG2-CG1 4.45Å; I192-I196 WeakPolarHBondContact O-CG1 3.48Å; I192-I196 PolarHBondContact O-N 3.42Å; M194-I196 PolarHBondContact O-N 3.1Å; I196-Q198 VanDerWaalsContact C-N 3.32Å; I196-Q198 PolarHBondContact O-N 2.87Å; I196-H199 PolarHBondContact O-N 3.26Å; I196-R200 VanDerWaalsContact O-CB 3.27Å; I196-R200 WeakPolarHBondContact O-CB 3.43Å; I196-R200 PolarHBondContact O-N 3.14Å
197S85.2Confident76.8Confident14 Ų1439.2 Ų39.210%0.09820%0.202CC..Hα-helixtrans-64.2-38.6179.3-580000111.6R193 M194 N201R193-S197 WeakPolarHBondContact O-CB 3.35Å; R193-S197 PolarHBondContact O-N 3.3Å; R193-S197 PolarHBondContact O-OG 3.32Å; M194-S197 PolarHBondContact O-N 2.82Å; S197-N201 VanDerWaalsContact O-CB 3.24Å; S197-N201 WeakPolarHBondContact O-CB 3.4Å; S197-N201 VanDerWaalsContact O-CG 3.27Å; S197-N201 PolarHBondContact O-N 2.89Å
198Q81.6Confident73.7Confident18 Ų1842.6 Ų42.68%0.08422%0.223CC..Hα-helixtrans-61.1-49.1174.6-77.6-67.9-22.500111.8L35 M194 L195 I196 H202 I234 C236 I237L35-Q198 HydrophobicContact CD2-CG 4.43Å; M194-Q198 HydrophobicContact CE-CG 3.93Å; M194-Q198 WeakPolarHBondContact O-CB 3.45Å; M194-Q198 VanDerWaalsContact O-CG 3.28Å; M194-Q198 WeakPolarHBondContact O-CG 3.44Å; M194-Q198 PolarHBondContact O-N 2.82Å; L195-Q198 PolarHBondContact O-N 2.98Å; I196-Q198 VanDerWaalsContact C-N 3.32Å; I196-Q198 PolarHBondContact O-N 2.87Å; Q198-H202 VanDerWaalsContact O-CB 3.26Å; Q198-H202 WeakPolarHBondContact O-CB 3.3Å; Q198-H202 PolarHBondContact O-N 2.84Å; Q198-I234 PolarHBondContact NE2-O 3.37Å; Q198-I234 PolarHBondContact OE1-O 2.93Å; Q198-C236 VanDerWaalsContact NE2-N 3.13Å; Q198-C236 PolarHBondContact NE2-SG 3.41Å; Q198-I237 VanDerWaalsContact NE2-CG1 3.29Å
199H83.1Confident70.5Confident2 Ų247.9 Ų47.91%0.00925%0.251CS..Hα-helixtrans-60.3-51.4176.4-169.780.3000111.8S77 L81 F139 T140 L143 L195 I196 N201 H202 F203S77-H199 WeakPolarHBondContact CB-ND1 3.45Å; S77-H199 PolarHBondContact OG-ND1 3.13Å; L81-H199 HydrophobicContact CD1-CB 3.46Å; L81-H199 VanDerWaalsContact CD1-CB 3.46Å; L81-H199 WeakPolarHBondContact CD1-ND1 3.18Å; F139-H199 AromaticContact CD1-NE2 3.76Å; T140-H199 PolarHBondContact OG1-NE2 3.14Å; L143-H199 HydrophobicContact CD1-CB 4.31Å; L195-H199 PolarHBondContact O-N 2.96Å; L195-H199 VanDerWaalsContact O-N 3.08Å; I196-H199 PolarHBondContact O-N 3.26Å; H199-N201 PolarHBondContact O-N 3.33Å; H199-H202 PolarHBondContact O-N 3.4Å; H199-F203 AromaticContact CE1-CD2 3.81Å; H199-F203 AromaticContact ND1-CD2 3.59Å; H199-F203 AromaticContact ND1-CE2 3.88Å; H199-F203 WeakPolarHBondContact O-CB 3.28Å; H199-F203 VanDerWaalsContact O-CD2 3.25Å; H199-F203 WeakPolarHBondContact O-CD2 3.42Å; H199-F203 PolarHBondContact O-N 3.45Å
200R77.3Confident67.6Low65 Ų6554 Ų5425%0.24529%0.286CS..Hα-helixtrans-62.1-49.3-175.2-170.3-176.268.4175.61.2111.8I196 H202 I204I196-R200 VanDerWaalsContact O-CB 3.27Å; I196-R200 WeakPolarHBondContact O-CB 3.43Å; I196-R200 PolarHBondContact O-N 3.14Å; R200-H202 VanDerWaalsContact C-N 3.27Å; R200-H202 PolarHBondContact O-N 2.92Å; R200-I204 HydrophobicContact CG-CD1 3.24Å; R200-I204 HydrophobicContact CG-CG1 3.76Å; R200-I204 VanDerWaalsContact O-CB 3.24Å; R200-I204 WeakPolarHBondContact O-CB 3.44Å; R200-I204 VanDerWaalsContact O-CG1 3.27Å; R200-I204 WeakPolarHBondContact O-CG1 3.16Å; R200-I204 PolarHBondContact O-N 3.5Å
201N68.6Low64.7Low58 Ų5861.2 Ų61.231%0.3132%0.324SS..Hα-helixtrans-71.9-22.2-176.4-69.31.2000112.7S197 H199 G235S197-N201 VanDerWaalsContact O-CB 3.24Å; S197-N201 WeakPolarHBondContact O-CB 3.4Å; S197-N201 VanDerWaalsContact O-CG 3.27Å; S197-N201 PolarHBondContact O-N 2.89Å; H199-N201 PolarHBondContact O-N 3.33Å; N201-G235 WeakPolarHBondContact CB-O 3.35Å; N201-G235 PolarHBondContact ND2-O 3.08Å
202H63.9Low61.8Low50 Ų5066.4 Ų66.423%0.23135%0.35CS..Hα-helixtrans-87.8-33.6177.9-163.685.9000112.9E73 Q198 H199 R200E73-H202 IonicContact OE2-CD2 2.85Å; E73-H202 IonicContact OE2-CE1 3.89Å; E73-H202 IonicContact OE2-NE2 3.8Å; E73-H202 PolarHBondContact OE2-NE2 3.19Å; Q198-H202 VanDerWaalsContact O-CB 3.26Å; Q198-H202 WeakPolarHBondContact O-CB 3.3Å; Q198-H202 PolarHBondContact O-N 2.84Å; H199-H202 PolarHBondContact O-N 3.4Å; R200-H202 VanDerWaalsContact C-N 3.27Å; R200-H202 PolarHBondContact O-N 2.92Å
203F59.7Low59Low21 Ų2170.6 Ų70.69%0.09238%0.381CS..Hα-helixtrans-112.9-8.9-171.8-60-68.5000115.8F38 E73 E74 H199 S205F38-F203 HydrophobicContact CE1-CE2 4.47Å; F38-F203 HydrophobicContact CE1-CZ 4.42Å; E73-F203 VanDerWaalsContact C-CZ 3.49Å; E73-F203 HydrophobicContact CB-CE1 4.02Å; E73-F203 HydrophobicContact CB-CZ 3.91Å; E74-F203 HydrophobicContact CB-CD1 3.64Å; E74-F203 HydrophobicContact CB-CE1 3.44Å; E74-F203 VanDerWaalsContact CB-CE1 3.44Å; E74-F203 HydrophobicContact CB-CG 4.35Å; E74-F203 HydrophobicContact CB-CZ 4.03Å; E74-F203 HydrophobicContact CG-CD1 3.75Å; E74-F203 HydrophobicContact CG-CE1 4.04Å; E74-F203 HydrophobicContact CG-CG 4.03Å; E74-F203 VanDerWaalsContact N-CE1 3.3Å; H199-F203 AromaticContact CE1-CD2 3.81Å; H199-F203 AromaticContact ND1-CD2 3.59Å; H199-F203 AromaticContact ND1-CE2 3.88Å; H199-F203 WeakPolarHBondContact O-CB 3.28Å; H199-F203 VanDerWaalsContact O-CD2 3.25Å; H199-F203 WeakPolarHBondContact O-CD2 3.42Å; H199-F203 PolarHBondContact O-N 3.45Å; F203-S205 VanDerWaalsContact C-N 3.33Å; F203-S205 PolarHBondContact O-N 2.85Å
204I57.9Low56.1Low92 Ų9272.8 Ų72.847%0.47240%0.398SS..  trans-62.6102165.6-76.2-172.5000107.6T140 R200 I206T140-I204 HydrophobicContact CG2-CG1 4.09Å; R200-I204 HydrophobicContact CG-CD1 3.24Å; R200-I204 HydrophobicContact CG-CG1 3.76Å; R200-I204 VanDerWaalsContact O-CB 3.24Å; R200-I204 WeakPolarHBondContact O-CB 3.44Å; R200-I204 VanDerWaalsContact O-CG1 3.27Å; R200-I204 WeakPolarHBondContact O-CG1 3.16Å; R200-I204 PolarHBondContact O-N 3.5Å; I204-I206 PolarHBondContact O-N 3.33Å
205S40.8Very low53.1Low82 Ų8275.7 Ų75.757%0.57341%0.414SS*.  trans-61.8124156.1-81.10000106.2F203 V207F203-S205 VanDerWaalsContact C-N 3.33Å; F203-S205 PolarHBondContact O-N 2.85Å; S205-V207 PolarHBondContact O-N 3.23Å
206I36.3Very low50.2Low133 Ų13379 Ų7968%0.68244%0.437SS*.  trans-55103.2156.1-55.6172.4000104.3I204 V208I204-I206 PolarHBondContact O-N 3.33Å; I206-V208 HydrophobicContact CB-CG2 4.15Å; I206-V208 HydrophobicContact CG2-CG2 3.44Å; I206-V208 VanDerWaalsContact CG2-CG2 3.44Å; I206-V208 PolarHBondContact O-N 2.83Å
207V30.2Very low47.5Very low120 Ų12084.5 Ų84.573%0.72747%0.471SS*.  trans-68.589.4162.3-177.30000103.6S205 D209S205-V207 PolarHBondContact O-N 3.23Å; V207-D209 PolarHBondContact O-N 3.43Å; V207-D209 VanDerWaalsContact O-N 3.1Å
208V30.2Very low44.8Very low88 Ų8889.4 Ų89.453%0.53350%0.495SS..  trans-74.789.4163.9-171.60000103.8I206 D210I206-V208 HydrophobicContact CB-CG2 4.15Å; I206-V208 HydrophobicContact CG2-CG2 3.44Å; I206-V208 VanDerWaalsContact CG2-CG2 3.44Å; I206-V208 PolarHBondContact O-N 2.83Å; V208-D210 PolarHBondContact O-N 2.84Å
209D28.9Very low42.3Very low119 Ų11994.5 Ų94.564%0.63652%0.522SS*.  trans-64.4125.3154.8-106.8-23.9000105.7V207 N211 M212V207-D209 PolarHBondContact O-N 3.43Å; V207-D209 VanDerWaalsContact O-N 3.1Å; D209-N211 PolarHBondContact O-N 3.21Å; D209-M212 PolarHBondContact O-N 3.48Å
210D34.9Very low39.9Very low154 Ų154101.4 Ų101.482%0.82455%0.552SS**THydrogen-bonded Turntrans-56.6-1.4-173-73.8-38.1000114.7V208V208-D210 PolarHBondContact O-N 2.84Å
211N32.5Very low37.4Very low156 Ų156102.1 Ų102.183%0.83458%0.58SS**THydrogen-bonded Turntrans-122.99179.3-69.8-43.5000115.1D209D209-N211 PolarHBondContact O-N 3.21Å
212M32.8Very low35.6Very low110 Ų110105 Ų10554%0.54259%0.592SS.*  trans-14457.8-176.9-90.5-65.7-164.200113.5D209 L214 L215D209-M212 PolarHBondContact O-N 3.48Å; M212-L214 PolarHBondContact O-N 3.48Å; M212-L215 HydrophobicContact CE-CB 4.28Å; M212-L215 HydrophobicContact CE-CD2 3.39Å; M212-L215 HydrophobicContact CE-CG 4.39Å; M212-L215 HydrophobicContact SD-CB 3.5Å; M212-L215 WeakPolarHBondContact SD-CB 3.18Å; M212-L215 HydrophobicContact SD-CD2 3.8Å; M212-L215 HydrophobicContact SD-CG 4.24Å
213S33.8Very low33.9Very low104 Ų104107.1 Ų107.173%0.72762%0.617SS**THydrogen-bonded Turntrans-75.34.8179.733.30000115.5
214L31Very low32.9Very low133 Ų133110.2 Ų110.270%0.69664%0.638SS**THydrogen-bonded Turntrans-134.2-9.7-175.5-101.1137.5000116.1M212M212-L214 PolarHBondContact O-N 3.48Å
215L28.1Very low32Very low63 Ų63108.4 Ų108.433%0.3363%0.628SS.*THydrogen-bonded Turntrans-93.8-20.7-170.8-159.969.4000114.7M212 V217 I218 L219M212-L215 HydrophobicContact CE-CB 4.28Å; M212-L215 HydrophobicContact CE-CD2 3.39Å; M212-L215 HydrophobicContact CE-CG 4.39Å; M212-L215 HydrophobicContact SD-CB 3.5Å; M212-L215 WeakPolarHBondContact SD-CB 3.18Å; M212-L215 HydrophobicContact SD-CD2 3.8Å; M212-L215 HydrophobicContact SD-CG 4.24Å; L215-V217 PolarHBondContact O-N 3.03Å; L215-I218 HydrophobicContact CD1-CB 4.44Å; L215-I218 PolarHBondContact O-N 2.65Å; L215-I218 VanDerWaalsContact O-N 3.1Å; L215-L219 HydrophobicContact CD1-CD1 4.48Å; L215-L219 HydrophobicContact CD2-CD1 3.58Å; L215-L219 HydrophobicContact CD2-CG 4.43Å; L215-L219 HydrophobicContact CG-CD1 3.57Å; L215-L219 HydrophobicContact CG-CG 4.04Å; L215-L219 PolarHBondContact O-N 2.96Å; L215-L219 VanDerWaalsContact O-N 3.13Å
216S28.8Very low31.8Very low74 Ų74108.6 Ų108.652%0.51763%0.627SS.*Hα-helixtrans-69.8-20.8177.259.90000113.5I218S216-I218 VanDerWaalsContact C-N 3.35Å
217V32.2Very low32.2Very low119 Ų119103.9 Ų103.972%0.72160%0.602SS**Hα-helixtrans-77.1-22.3172.8179.70000111.9L215L215-V217 PolarHBondContact O-N 3.03Å
218I29.1Very low33Very low117 Ų117101.1 Ų101.160%0.658%0.579SS**Hα-helixtrans-103.5-27.2-169.6-61.4175000112.1L215 S216L215-I218 HydrophobicContact CD1-CB 4.44Å; L215-I218 PolarHBondContact O-N 2.65Å; L215-I218 VanDerWaalsContact O-N 3.1Å; S216-I218 VanDerWaalsContact C-N 3.35Å
219L28Very low33.6Very low125 Ų125104.6 Ų104.665%0.65459%0.589SS**Hα-helixtrans-89.1-20.5-176-77.5167.1000115L215L215-L219 HydrophobicContact CD1-CD1 4.48Å; L215-L219 HydrophobicContact CD2-CD1 3.58Å; L215-L219 HydrophobicContact CD2-CG 4.43Å; L215-L219 HydrophobicContact CG-CD1 3.57Å; L215-L219 HydrophobicContact CG-CG 4.04Å; L215-L219 PolarHBondContact O-N 2.96Å; L215-L219 VanDerWaalsContact O-N 3.13Å
220F32.2Very low34.4Very low146 Ų146101.3 Ų101.364%0.6458%0.575SS**SBendtrans-104.181.8175.7-69-80.4000109.7Q222F220-Q222 PolarHBondContact O-N 2.86Å
221G25.6Very low35.3Very low81 Ų8199.2 Ų99.284%0.83557%0.573SS**  trans-6345.8-17400000118
222Q29.9Very low36.8Very low119 Ų11997.2 Ų97.256%0.55656%0.558SS**SBendtrans-128.6108.1148.8-77-172.3-15.700106F220 T224F220-Q222 PolarHBondContact O-N 2.86Å; Q222-T224 PolarHBondContact O-N 2.92Å
223A29.9Very low38.6Very low93 Ų9393.2 Ų93.277%0.76954%0.538SS*.  trans-41.5117.7169.200000107.9H225A223-H225 VanDerWaalsContact C-N 3.29Å; A223-H225 PolarHBondContact O-N 3.39Å
224T37.2Very low40.4Very low86 Ų8688.5 Ų88.553%0.52851%0.505SS..  trans-50.1109.9156.545.70000104.4Q222Q222-T224 PolarHBondContact O-N 2.92Å
225H40.5Very low42.6Very low55 Ų5582.6 Ų82.626%0.25548%0.476SS..  trans-42.3138-180-134-77.5000107.9A223 F227 Y228 Y292A223-H225 VanDerWaalsContact C-N 3.29Å; A223-H225 PolarHBondContact O-N 3.39Å; H225-F227 HydrophobicContact CB-CD2 4.2Å; H225-F227 AromaticContact CE1-CE2 3.88Å; H225-F227 AromaticContact ND1-CD2 3.38Å; H225-F227 WeakPolarHBondContact ND1-CD2 3.29Å; H225-F227 AromaticContact ND1-CE2 3.41Å; H225-F227 WeakPolarHBondContact ND1-CE2 3.46Å; H225-F227 PolarHBondContact O-N 3.32Å; H225-Y228 HydrophobicContact CB-CD2 4.15Å; H225-Y228 HydrophobicContact CB-CE2 4.1Å; H225-Y228 PolarHBondContact O-N 2.95Å; H225-Y292 AromaticContact CE1-CD1 3.64Å; H225-Y292 AromaticContact CE1-CD2 3.82Å; H225-Y292 AromaticContact CE1-CE1 3.59Å; H225-Y292 AromaticContact CE1-CE2 3.73Å; H225-Y292 AromaticContact CE1-CG 3.78Å; H225-Y292 AromaticContact CE1-CZ 3.64Å; H225-Y292 AromaticContact NE2-CD1 3.5Å; H225-Y292 WeakPolarHBondContact NE2-CD1 3.35Å; H225-Y292 AromaticContact NE2-CE1 3.43Å; H225-Y292 WeakPolarHBondContact NE2-CE1 3.37Å; H225-Y292 AromaticContact NE2-CZ 3.92Å
226P36.8Very low45.2Very low86 Ų8679.8 Ų79.856%0.55846%0.461SS*.G310 helixtrans-48-23.1-172.810.1-26.8000114.5Y228P226-Y228 VanDerWaalsContact C-N 3.32Å; P226-Y228 PolarHBondContact O-N 3.44Å
227F43.2Very low48Very low34 Ų3476.2 Ų76.215%0.14944%0.437CS..G310 helixtrans-56.7-32.1172.2-56.6-62000115.5H225 Q229 H233 V246 D249 P288 Y292H225-F227 HydrophobicContact CB-CD2 4.2Å; H225-F227 AromaticContact CE1-CE2 3.88Å; H225-F227 AromaticContact ND1-CD2 3.38Å; H225-F227 WeakPolarHBondContact ND1-CD2 3.29Å; H225-F227 AromaticContact ND1-CE2 3.41Å; H225-F227 WeakPolarHBondContact ND1-CE2 3.46Å; H225-F227 PolarHBondContact O-N 3.32Å; F227-Q229 PolarHBondContact O-N 3.27Å; F227-Q229 VanDerWaalsContact O-N 3.13Å; F227-H233 PolarHBondContact O-CE1 2.71Å; F227-H233 PolarHBondContact O-ND1 2.75Å; F227-H233 PolarHBondContact O-NE2 2.83Å; F227-V246 HydrophobicContact CD1-CG2 4.48Å; F227-V246 HydrophobicContact CE1-CG2 3.86Å; F227-V246 HydrophobicContact CZ-CB 4.47Å; F227-V246 HydrophobicContact CZ-CG2 4Å; F227-D249 VanDerWaalsContact CE1-OD2 3.24Å; F227-D249 WeakPolarHBondContact CE1-OD2 3.43Å; F227-D249 HydrophobicContact CZ-CB 4.01Å; F227-D249 WeakPolarHBondContact CZ-OD2 3.46Å; F227-P288 HydrophobicContact CB-CB 4.17Å; F227-P288 HydrophobicContact CD1-CB 4.37Å; F227-P288 HydrophobicContact CD2-CB 4.24Å; F227-P288 HydrophobicContact CG-CB 3.99Å; F227-Y292 HydrophobicContact CE2-CD2 4.03Å; F227-Y292 HydrophobicContact CE2-CG 4.42Å; F227-Y292 HydrophobicContact CZ-CD2 4.43Å
228Y47.5Very low50.7Low62 Ų6271.6 Ų71.624%0.24341%0.408CS..G310 helixtrans-80.18.6-173.4-63.7-59.5000115.6H225 P226 C236 S289H225-Y228 HydrophobicContact CB-CD2 4.15Å; H225-Y228 HydrophobicContact CB-CE2 4.1Å; H225-Y228 PolarHBondContact O-N 2.95Å; P226-Y228 VanDerWaalsContact C-N 3.32Å; P226-Y228 PolarHBondContact O-N 3.44Å; Y228-C236 HydrophobicContact CE1-CB 3.88Å; Y228-S289 PolarHBondContact OH-OG 2.51Å
229Q42.2Very low53.6Low160 Ų16066.8 Ų66.875%0.74838%0.384SS*.G310 helixtrans-89.5-8.5-176.6-66.1-176.6-11.900114.1F227F227-Q229 PolarHBondContact O-N 3.27Å; F227-Q229 VanDerWaalsContact O-N 3.13Å
230S47.3Very low56.6Low51 Ų5165 Ų6536%0.35738%0.376SS..SBendtrans-90.6132.4179.7870000112.1Q232 H233S230-Q232 PolarHBondContact O-N 3.14Å; S230-H233 PolarHBondContact O-N 3.01Å; S230-H233 PolarHBondContact O-ND1 2.74Å; S230-H233 PolarHBondContact OG-CE1 2.9Å; S230-H233 VanDerWaalsContact OG-CE1 3.26Å; S230-H233 PolarHBondContact OG-ND1 2.75Å
231S51.9Low59.6Low110 Ų11058.1 Ų58.177%0.76935%0.345SS*.THydrogen-bonded Turntrans-60.8-0.3175.857.60000114.8K43K43-S231 PolarHBondContact NZ-O 3.4Å
232Q64.8Low62.9Low113 Ų11357.6 Ų57.653%0.52832%0.323SS..THydrogen-bonded Turntrans-92.2-19.4-178.4-58.6-170.316.600113.4S230 P239S230-Q232 PolarHBondContact O-N 3.14Å; Q232-P239 WeakPolarHBondContact O-CD 3.18Å
233H70.2Confident66.1Low27 Ų2752 Ų5213%0.12530%0.297CS..  trans-64.7148.5177.8-74.773.7000111.9F227 S230 D238F227-H233 PolarHBondContact O-CE1 2.71Å; F227-H233 PolarHBondContact O-ND1 2.75Å; F227-H233 PolarHBondContact O-NE2 2.83Å; S230-H233 PolarHBondContact O-N 3.01Å; S230-H233 PolarHBondContact O-ND1 2.74Å; S230-H233 PolarHBondContact OG-CE1 2.9Å; S230-H233 VanDerWaalsContact OG-CE1 3.26Å; S230-H233 PolarHBondContact OG-ND1 2.75Å; H233-D238 IonicContact CE1-OD2 3.11Å; H233-D238 IonicContact NE2-OD2 2.64Å
234I72.7Confident69.3Low5 Ų549.2 Ų49.23%0.02627%0.269CS..BIsolated β-bridgetrans-117.1100.7171.8-61159.8000107I36 K40 Q198 C236 I237 P239I36-I234 HydrophobicContact CG1-CD1 4.39Å; I36-I234 HydrophobicContact CG2-CD1 3.93Å; K40-I234 HydrophobicContact CD-CD1 4.01Å; K40-I234 HydrophobicContact CG-CD1 3.48Å; K40-I234 VanDerWaalsContact CG-CD1 3.48Å; Q198-I234 PolarHBondContact NE2-O 3.37Å; Q198-I234 PolarHBondContact OE1-O 2.93Å; I234-C236 PolarHBondContact O-N 3.05Å; I234-C236 VanDerWaalsContact O-N 3.08Å; I234-I237 PolarHBondContact N-O 3.35Å; I234-I237 PolarHBondContact O-N 3.27Å; I234-P239 HydrophobicContact CD1-CG 4.41Å
235G77.1Confident72.1Confident8 Ų846.1 Ų46.18%0.08225%0.254CS..THydrogen-bonded Turntrans59.2-110.7-169.900000111.2N201N201-G235 WeakPolarHBondContact CB-O 3.35Å; N201-G235 PolarHBondContact ND2-O 3.08Å
236C83.1Confident74.8Confident4 Ų443.7 Ų43.73%0.02724%0.243CC..THydrogen-bonded Turntrans-105.52.7173.464.90000115M194 Q198 Y228 I234 V287M194-C236 PolarHBondContact SD-SG 2.96Å; Q198-C236 VanDerWaalsContact NE2-N 3.13Å; Q198-C236 PolarHBondContact NE2-SG 3.41Å; Y228-C236 HydrophobicContact CE1-CB 3.88Å; I234-C236 PolarHBondContact O-N 3.05Å; I234-C236 VanDerWaalsContact O-N 3.08Å; C236-V287 HydrophobicContact CB-CG1 4.49Å
237I87Confident77.7Confident0 Ų039.6 Ų39.60%022%0.217CC..BIsolated β-bridgetrans-93.8131.8178.4-68.8160.2000109.2L35 I36 M194 Q198 I234 V285 Y286 V287L35-I237 HydrophobicContact CB-CD1 3.53Å; L35-I237 HydrophobicContact CD1-CD1 3.96Å; L35-I237 HydrophobicContact CG-CD1 4.39Å; I36-I237 HydrophobicContact CD1-CG2 3.77Å; I36-I237 HydrophobicContact CG1-CD1 4.3Å; I36-I237 HydrophobicContact CG1-CG2 3.81Å; M194-I237 HydrophobicContact CE-CD1 3.7Å; M194-I237 HydrophobicContact CE-CG1 3.71Å; Q198-I237 VanDerWaalsContact NE2-CG1 3.29Å; I234-I237 PolarHBondContact N-O 3.35Å; I234-I237 PolarHBondContact O-N 3.27Å; I237-V285 HydrophobicContact CG2-CG1 3.94Å; I237-Y286 WeakPolarHBondContact CA-O 3.32Å; I237-V287 HydrophobicContact CG1-CG2 3.83Å
238D88.9Confident80.3Confident22 Ų2241.2 Ų41.212%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-95116.1166-171.3-11.6000108.8H233 N240 C241 Y286 P288H233-D238 IonicContact CE1-OD2 3.11Å; H233-D238 IonicContact NE2-OD2 2.64Å; D238-N240 PolarHBondContact O-N 3Å; D238-N240 PolarHBondContact OD1-N 3.32Å; D238-C241 HydrophobicContact CB-CB 3.97Å; D238-C241 PolarHBondContact OD1-N 2.88Å; D238-C241 WeakPolarHBondContact OD2-CA 3.43Å; D238-Y286 PolarHBondContact N-O 3.45Å; D238-Y286 PolarHBondContact O-N 3.48Å; D238-Y286 VanDerWaalsContact O-N 3.16Å; D238-P288 HydrophobicContact CB-CG 3.65Å
239P89.3Confident82.7Confident16 Ų1641.4 Ų41.410%0.10423%0.23CC..EExtended strand (participates in β ladder)trans-65.2-17.4175.527.6-34.6000113.5Q232 I234 V285Q232-P239 WeakPolarHBondContact O-CD 3.18Å; I234-P239 HydrophobicContact CD1-CG 4.41Å; P239-V285 WeakPolarHBondContact O-CG2 3.39Å
240N91.9Very high85.3Confident88 Ų8833.8 Ų33.847%0.47120%0.195SC..EExtended strand (participates in β ladder)trans-131.643.9179.9-60.4-52.6000111.1D238 D242D238-N240 PolarHBondContact O-N 3Å; D238-N240 PolarHBondContact OD1-N 3.32Å; N240-D242 PolarHBondContact O-N 2.96Å
241C94Very high87.7Confident0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-51.9114.5-178.2-173.70000110.9D238 V243 T283 I284D238-C241 HydrophobicContact CB-CB 3.97Å; D238-C241 PolarHBondContact OD1-N 2.88Å; D238-C241 WeakPolarHBondContact OD2-CA 3.43Å; C241-V243 PolarHBondContact O-N 2.63Å; C241-V243 VanDerWaalsContact O-N 3.14Å; C241-T283 VanDerWaalsContact O-CA 3.29Å; C241-T283 WeakPolarHBondContact O-CA 3.44Å; C241-I284 WeakPolarHBondContact CA-O 3.31Å; C241-I284 WeakPolarHBondContact CB-O 3.34Å; C241-I284 PolarHBondContact N-O 3.01Å; C241-I284 PolarHBondContact O-N 2.9Å
242D95.3Very high89.9Confident71 Ų7130.3 Ų30.338%0.3816%0.16SC..EExtended strand (participates in β ladder)trans-73.2100.6172.2177.213.9000109.6N240 L244 G245 V246N240-D242 PolarHBondContact O-N 2.96Å; D242-L244 VanDerWaalsContact C-N 3.29Å; D242-L244 PolarHBondContact O-N 2.82Å; D242-L244 PolarHBondContact OD1-N 3.49Å; D242-G245 PolarHBondContact O-N 3.22Å; D242-G245 PolarHBondContact OD1-N 3.36Å; D242-G245 WeakPolarHBondContact OD2-CA 3.43Å; D242-G245 PolarHBondContact OD2-N 3.41Å; D242-V246 WeakPolarHBondContact O-CG2 3.36Å; D242-V246 PolarHBondContact O-N 3.29Å; D242-V246 VanDerWaalsContact O-N 3.1Å
243V97.2Very high91.3Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-64-38.7-176.11770000110.8C241 I247 I282 I284 L291 V323 L330 I332C241-V243 PolarHBondContact O-N 2.63Å; C241-V243 VanDerWaalsContact O-N 3.14Å; V243-I247 HydrophobicContact CG1-CD1 3.88Å; V243-I247 WeakPolarHBondContact O-CD1 3.42Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.23Å; V243-I247 PolarHBondContact O-N 3.41Å; V243-I247 VanDerWaalsContact O-N 3.1Å; V243-I282 HydrophobicContact CB-CG2 4.15Å; V243-I282 HydrophobicContact CG2-CG2 4.05Å; V243-I282 PolarHBondContact N-O 2.83Å; V243-I284 HydrophobicContact CG2-CD1 4.46Å; V243-I284 HydrophobicContact CG2-CG1 3.79Å; V243-L291 HydrophobicContact CB-CD2 4.48Å; V243-L291 HydrophobicContact CG1-CD2 4.15Å; V243-L291 HydrophobicContact CG2-CD2 4.45Å; V243-V323 HydrophobicContact CG1-CG1 3.86Å; V243-L330 HydrophobicContact CG1-CD2 4.06Å; V243-L330 HydrophobicContact CG2-CD2 3.73Å; V243-I332 HydrophobicContact CG1-CD1 4.24Å
244L97.4Very high92.5Very high36 Ų3627.1 Ų27.119%0.18815%0.148CC..Hα-helixtrans-71.3-42.7-177.2-57.5-176.8000110.6D242 V246 I247 Q248 L270 V323D242-L244 VanDerWaalsContact C-N 3.29Å; D242-L244 PolarHBondContact O-N 2.82Å; D242-L244 PolarHBondContact OD1-N 3.49Å; L244-V246 PolarHBondContact O-N 3.11Å; L244-I247 PolarHBondContact O-N 3.49Å; L244-Q248 PolarHBondContact O-N 3.27Å; L244-L270 HydrophobicContact CB-CD2 4.28Å; L244-L270 HydrophobicContact CD2-CD1 4.23Å; L244-L270 HydrophobicContact CD2-CD2 4.16Å; L244-L270 HydrophobicContact CD2-CG 4.34Å; L244-V323 HydrophobicContact CD2-CB 4.04Å; L244-V323 HydrophobicContact CD2-CG1 4.32Å; L244-V323 HydrophobicContact CD2-CG2 3.85Å
245G96.5Very high93.6Very high21 Ų2131.3 Ų31.322%0.21616%0.163CC..Hα-helixtrans-57.7-46.5173.600000112.6D242 I247 Q248 D249D242-G245 PolarHBondContact O-N 3.22Å; D242-G245 PolarHBondContact OD1-N 3.36Å; D242-G245 WeakPolarHBondContact OD2-CA 3.43Å; D242-G245 PolarHBondContact OD2-N 3.41Å; G245-I247 VanDerWaalsContact C-N 3.34Å; G245-I247 PolarHBondContact O-N 3.27Å; G245-Q248 PolarHBondContact O-N 2.87Å; G245-D249 PolarHBondContact O-N 2.82Å
246V96.8Very high94.5Very high4 Ų437.2 Ų37.22%0.02419%0.187CC..Hα-helixtrans-63.2-38.7178.1176.10000112.3F227 D242 L244 A250 P288 L291F227-V246 HydrophobicContact CD1-CG2 4.48Å; F227-V246 HydrophobicContact CE1-CG2 3.86Å; F227-V246 HydrophobicContact CZ-CB 4.47Å; F227-V246 HydrophobicContact CZ-CG2 4Å; D242-V246 WeakPolarHBondContact O-CG2 3.36Å; D242-V246 PolarHBondContact O-N 3.29Å; D242-V246 VanDerWaalsContact O-N 3.1Å; L244-V246 PolarHBondContact O-N 3.11Å; V246-A250 WeakPolarHBondContact O-CB 3.4Å; V246-A250 PolarHBondContact O-N 3.15Å; V246-P288 HydrophobicContact CG2-CB 4.14Å; V246-L291 HydrophobicContact CB-CD2 3.95Å; V246-L291 HydrophobicContact CB-CG 4.36Å; V246-L291 HydrophobicContact CG1-CB 4.02Å; V246-L291 HydrophobicContact CG1-CD2 3.83Å; V246-L291 HydrophobicContact CG1-CG 3.7Å; V246-L291 HydrophobicContact CG2-CD2 4.46Å
247I98.3Very high94.9Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-64.9-44.5175.6-70.8166.4000110.7V243 L244 G245 A250 Y251 M268 L270 M295 V321 V323 I332V243-I247 HydrophobicContact CG1-CD1 3.88Å; V243-I247 WeakPolarHBondContact O-CD1 3.42Å; V243-I247 VanDerWaalsContact O-CG1 3.26Å; V243-I247 WeakPolarHBondContact O-CG1 3.23Å; V243-I247 PolarHBondContact O-N 3.41Å; V243-I247 VanDerWaalsContact O-N 3.1Å; L244-I247 PolarHBondContact O-N 3.49Å; G245-I247 VanDerWaalsContact C-N 3.34Å; G245-I247 PolarHBondContact O-N 3.27Å; I247-A250 PolarHBondContact O-N 2.88Å; I247-Y251 WeakPolarHBondContact O-CB 3.48Å; I247-Y251 PolarHBondContact O-N 2.86Å; I247-M268 HydrophobicContact CG2-CE 4.45Å; I247-M268 HydrophobicContact CG2-SD 4.19Å; I247-L270 HydrophobicContact CG2-CD1 4.2Å; I247-M295 HydrophobicContact CD1-SD 4.29Å; I247-M295 HydrophobicContact CG1-CG 3.78Å; I247-M295 HydrophobicContact CG1-SD 3.78Å; I247-V321 HydrophobicContact CD1-CG1 4.46Å; I247-V321 HydrophobicContact CG2-CG1 4.14Å; I247-V323 HydrophobicContact CD1-CG2 3.46Å; I247-V323 VanDerWaalsContact CD1-CG2 3.46Å; I247-I332 HydrophobicContact CD1-CD1 4.23Å; I247-I332 HydrophobicContact CD1-CG2 4.4Å
248Q98Very high95.2Very high68 Ų6839 Ų3932%0.31820%0.196SC..Hα-helixtrans-61.5-47178.9-170.365.935.900111.1L244 G245 A250 Y251 E252L244-Q248 PolarHBondContact O-N 3.27Å; G245-Q248 PolarHBondContact O-N 2.87Å; Q248-A250 VanDerWaalsContact C-N 3.29Å; Q248-A250 PolarHBondContact O-N 2.76Å; Q248-Y251 WeakPolarHBondContact O-CB 3.45Å; Q248-Y251 PolarHBondContact O-N 3.39Å; Q248-Y251 VanDerWaalsContact O-N 3.14Å; Q248-E252 PolarHBondContact NE2-OE1 3.17Å; Q248-E252 WeakPolarHBondContact O-CG 3.19Å; Q248-E252 PolarHBondContact O-N 3.46Å
249D96.1Very high95.4Very high66 Ų6640.5 Ų40.535%0.35320%0.204SC..Hα-helixtrans-61.8-38.6177.9-72.2-13.3000112F227 G245 N253 Y292F227-D249 VanDerWaalsContact CE1-OD2 3.24Å; F227-D249 WeakPolarHBondContact CE1-OD2 3.43Å; F227-D249 HydrophobicContact CZ-CB 4.01Å; F227-D249 WeakPolarHBondContact CZ-OD2 3.46Å; G245-D249 PolarHBondContact O-N 2.82Å; D249-N253 PolarHBondContact O-N 3.36Å; D249-N253 PolarHBondContact O-ND2 3.02Å; D249-Y292 HydrophobicContact CB-CD2 4.46Å; D249-Y292 HydrophobicContact CB-CE2 4.28Å
250A97.3Very high95.5Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-66.8-39.2175.500000112V246 I247 Q248 A254 Y292 M295 H296 L299V246-A250 WeakPolarHBondContact O-CB 3.4Å; V246-A250 PolarHBondContact O-N 3.15Å; I247-A250 PolarHBondContact O-N 2.88Å; Q248-A250 VanDerWaalsContact C-N 3.29Å; Q248-A250 PolarHBondContact O-N 2.76Å; A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 3.4Å; A250-Y292 VanDerWaalsContact CA-CE2 3.49Å; A250-Y292 HydrophobicContact CB-CD2 3.88Å; A250-Y292 HydrophobicContact CB-CE2 3.95Å; A250-M295 HydrophobicContact CB-CB 3.61Å; A250-H296 HydrophobicContact CB-CB 4.15Å; A250-L299 HydrophobicContact CB-CD1 4.25Å
251Y98.3Very high95.4Very high6 Ų647.3 Ų47.32%0.02422%0.222CC..Hα-helixtrans-64.2-50175.5171.9-106.1000111.8I247 Q248 N253 A254 R255 P266 G267 M268 L299 L303I247-Y251 WeakPolarHBondContact O-CB 3.48Å; I247-Y251 PolarHBondContact O-N 2.86Å; Q248-Y251 WeakPolarHBondContact O-CB 3.45Å; Q248-Y251 PolarHBondContact O-N 3.39Å; Q248-Y251 VanDerWaalsContact O-N 3.14Å; Y251-N253 VanDerWaalsContact C-N 3.29Å; Y251-N253 PolarHBondContact O-N 3.02Å; Y251-A254 PolarHBondContact O-N 3.42Å; Y251-A254 VanDerWaalsContact O-N 3.17Å; Y251-R255 HydrophobicContact CE1-CB 4.48Å; Y251-R255 HydrophobicContact CE2-CB 4.4Å; Y251-R255 WeakPolarHBondContact O-CB 3.31Å; Y251-R255 PolarHBondContact O-N 2.99Å; Y251-P266 PolarHBondContact OH-O 3.36Å; Y251-G267 VanDerWaalsContact OH-CA 3.27Å; Y251-G267 WeakPolarHBondContact OH-CA 3.26Å; Y251-M268 HydrophobicContact CD1-CB 4.12Å; Y251-M268 HydrophobicContact CD1-CE 3.86Å; Y251-M268 HydrophobicContact CD1-SD 4.36Å; Y251-M268 HydrophobicContact CD2-CB 3.72Å; Y251-M268 HydrophobicContact CD2-CE 4.48Å; Y251-M268 HydrophobicContact CD2-CG 4.32Å; Y251-M268 HydrophobicContact CD2-SD 3.92Å; Y251-M268 HydrophobicContact CE1-CB 3.92Å; Y251-M268 HydrophobicContact CE2-CB 3.51Å; Y251-M268 HydrophobicContact CG-CB 4.02Å; Y251-M268 HydrophobicContact CG-CE 3.77Å; Y251-M268 HydrophobicContact CG-CG 4.5Å; Y251-M268 HydrophobicContact CG-SD 3.73Å; Y251-M268 PolarHBondContact OH-N 3.12Å; Y251-L299 HydrophobicContact CD2-CD2 4.48Å; Y251-L303 HydrophobicContact CE2-CD1 4.35Å; Y251-L303 HydrophobicContact CE2-CD2 4Å
252E97.5Very high95.2Very high82 Ų8249.6 Ų49.638%0.38323%0.231SC..Hα-helixtrans-60.6-39.5-178-67-57.3160.700112Q248 R255 F256Q248-E252 PolarHBondContact NE2-OE1 3.17Å; Q248-E252 WeakPolarHBondContact O-CG 3.19Å; Q248-E252 PolarHBondContact O-N 3.46Å; E252-R255 PolarHBondContact O-N 3.36Å; E252-F256 WeakPolarHBondContact O-CB 3.25Å; E252-F256 PolarHBondContact O-N 3.11Å
253N94.5Very high95.1Very high72 Ų7253.8 Ų53.839%0.38525%0.252SS..Hα-helixtrans-68.5-43.6175.2-74.4-57.7000112.4D249 Y251 R255 F256 L257 Y292D249-N253 PolarHBondContact O-N 3.36Å; D249-N253 PolarHBondContact O-ND2 3.02Å; Y251-N253 VanDerWaalsContact C-N 3.29Å; Y251-N253 PolarHBondContact O-N 3.02Å; N253-R255 VanDerWaalsContact C-N 3.31Å; N253-R255 PolarHBondContact O-N 2.84Å; N253-F256 PolarHBondContact O-N 2.88Å; N253-L257 WeakPolarHBondContact O-CG 3.35Å; N253-L257 PolarHBondContact O-N 3.36Å; N253-L257 VanDerWaalsContact O-N 3.11Å; N253-Y292 VanDerWaalsContact CB-OH 3.26Å; N253-Y292 WeakPolarHBondContact CB-OH 3.29Å; N253-Y292 VanDerWaalsContact CG-OH 3.3Å; N253-Y292 PolarHBondContact ND2-OH 3.21Å
254A95.8Very high94.9Very high0 Ų057.5 Ų57.50%027%0.266CS..Hα-helixtrans-64.4-37.4176.200000111.9A250 Y251 L257 C258 L299 K300 L303A250-A254 VanDerWaalsContact O-CB 3.32Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 3.4Å; Y251-A254 PolarHBondContact O-N 3.42Å; Y251-A254 VanDerWaalsContact O-N 3.17Å; A254-L257 PolarHBondContact O-N 3.07Å; A254-C258 WeakPolarHBondContact O-CB 3.46Å; A254-C258 PolarHBondContact O-N 3.46Å; A254-L299 HydrophobicContact CB-CB 4.16Å; A254-K300 HydrophobicContact CB-CB 4.21Å; A254-L303 HydrophobicContact CB-CD1 3.92Å
255R96.4Very high94.7Very high93 Ų9356.8 Ų56.835%0.35126%0.264SS..Hα-helixtrans-63.4-48.2174.6-173.9-169.8177.4162.24110.9Y251 E252 N253 L257 C258 D259 S265 L303Y251-R255 HydrophobicContact CE1-CB 4.48Å; Y251-R255 HydrophobicContact CE2-CB 4.4Å; Y251-R255 WeakPolarHBondContact O-CB 3.31Å; Y251-R255 PolarHBondContact O-N 2.99Å; E252-R255 PolarHBondContact O-N 3.36Å; N253-R255 VanDerWaalsContact C-N 3.31Å; N253-R255 PolarHBondContact O-N 2.84Å; R255-L257 VanDerWaalsContact C-N 3.3Å; R255-L257 PolarHBondContact O-N 2.78Å; R255-C258 CarbonylContact O-C 3.58Å; R255-C258 WeakPolarHBondContact O-CA 3.29Å; R255-C258 WeakPolarHBondContact O-CB 3.4Å; R255-C258 PolarHBondContact O-N 2.87Å; R255-D259 IonicContact NE-OD2 3.29Å; R255-D259 WeakPolarHBondContact O-CB 3.07Å; R255-D259 PolarHBondContact O-N 3.35Å; R255-S265 VanDerWaalsContact CG-OG 3.23Å; R255-S265 WeakPolarHBondContact CG-OG 3.43Å; R255-S265 PolarHBondContact NE-OG 3.45Å; R255-L303 HydrophobicContact CB-CD1 4.46Å
256F94.9Very high94.7Very high133 Ų13355.8 Ų55.858%0.58325%0.254SS*.Hα-helixtrans-56.7-43.1176.6177.2-97.3000112.2E252 N253 R260E252-F256 WeakPolarHBondContact O-CB 3.25Å; E252-F256 PolarHBondContact O-N 3.11Å; N253-F256 PolarHBondContact O-N 2.88Å; F256-R260 WeakPolarHBondContact O-CB 3.38Å; F256-R260 PolarHBondContact O-N 3.08Å
257L91.7Very high94.8Very high41 Ų4156.7 Ų56.722%0.21526%0.264CS..Hα-helixtrans-65-41.5174.6-67.3174.1000112.2N253 A254 R255 R260 Y261 M371N253-L257 WeakPolarHBondContact O-CG 3.35Å; N253-L257 PolarHBondContact O-N 3.36Å; N253-L257 VanDerWaalsContact O-N 3.11Å; A254-L257 PolarHBondContact O-N 3.07Å; R255-L257 VanDerWaalsContact C-N 3.3Å; R255-L257 PolarHBondContact O-N 2.78Å; L257-R260 PolarHBondContact O-N 2.91Å; L257-Y261 PolarHBondContact O-N 3.15Å; L257-Y261 VanDerWaalsContact O-N 3.14Å; L257-M371 VanDerWaalsContact C-SD 3.57Å; L257-M371 HydrophobicContact CB-SD 3.65Å
258C93.1Very high94.7Very high0 Ų058.2 Ų58.20%027%0.271CS..Hα-helixtrans-63.5-48.8178.1-166.10000111.2A254 R255 R260 Y261 Y262 L303 M371A254-C258 WeakPolarHBondContact O-CB 3.46Å; A254-C258 PolarHBondContact O-N 3.46Å; R255-C258 CarbonylContact O-C 3.58Å; R255-C258 WeakPolarHBondContact O-CA 3.29Å; R255-C258 WeakPolarHBondContact O-CB 3.4Å; R255-C258 PolarHBondContact O-N 2.87Å; C258-R260 VanDerWaalsContact C-N 3.31Å; C258-R260 PolarHBondContact O-N 2.91Å; C258-Y261 PolarHBondContact O-N 3.09Å; C258-Y261 VanDerWaalsContact O-N 3.13Å; C258-Y262 PolarHBondContact O-N 3.42Å; C258-L303 HydrophobicContact CB-CB 4.33Å; C258-L303 HydrophobicContact CB-CD1 4.31Å; C258-M371 HydrophobicContact CB-CE 3.64Å; C258-M371 HydrophobicContact CB-SD 4.12Å; C258-M371 PolarHBondContact N-SD 2.98Å; C258-M371 VanDerWaalsContact N-SD 3.42Å
259D93.9Very high94.8Very high53 Ų5360.2 Ų60.228%0.28328%0.279SS..Hα-helixtrans-61-39.6177-74.7-26.2000111.3R255 Y261 L263 R264 S265R255-D259 IonicContact NE-OD2 3.29Å; R255-D259 WeakPolarHBondContact O-CB 3.07Å; R255-D259 PolarHBondContact O-N 3.35Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 2.8Å; D259-L263 WeakPolarHBondContact O-CA 3.49Å; D259-L263 PolarHBondContact O-N 2.94Å; D259-R264 WeakPolarHBondContact OD1-CA 3.48Å; D259-S265 VanDerWaalsContact CG-OG 3.23Å; D259-S265 WeakPolarHBondContact OD1-CB 3.34Å; D259-S265 PolarHBondContact OD1-N 2.85Å; D259-S265 PolarHBondContact OD1-OG 3.19Å; D259-S265 PolarHBondContact OD2-OG 3.29Å
260R91.6Very high94.9Very high122 Ų12259.9 Ų59.946%0.4628%0.277SS..Hα-helixtrans-63.9-34.8176.1-175.2174.1177.2-176.3-4.9112.9F256 L257 C258 S368F256-R260 WeakPolarHBondContact O-CB 3.38Å; F256-R260 PolarHBondContact O-N 3.08Å; L257-R260 PolarHBondContact O-N 2.91Å; C258-R260 VanDerWaalsContact C-N 3.31Å; C258-R260 PolarHBondContact O-N 2.91Å; R260-S368 PolarHBondContact NE-OG 2.91Å; R260-S368 VanDerWaalsContact NE-OG 3.14Å
261Y89.2Confident94.8Very high126 Ų12665.4 Ų65.449%0.49430%0.303SS..Hα-helixtrans-90.5-41-175.4-169-87.6000113.3L257 C258 D259 M371L257-Y261 PolarHBondContact O-N 3.15Å; L257-Y261 VanDerWaalsContact O-N 3.14Å; C258-Y261 PolarHBondContact O-N 3.09Å; C258-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 2.8Å; Y261-M371 HydrophobicContact CD1-CG 4.49Å; Y261-M371 HydrophobicContact CG-CG 4.14Å
262Y90.3Very high94.8Very high48 Ų4868.3 Ų68.319%0.18832%0.324CS..Hα-helixtrans-107.4-4.7-175.2-62.9-72.3000114.1C258 R264 T307 E308 M371C258-Y262 PolarHBondContact O-N 3.42Å; Y262-R264 PolarHBondContact O-N 2.96Å; Y262-R264 VanDerWaalsContact O-N 3.09Å; Y262-T307 HydrophobicContact CD1-CG2 3.97Å; Y262-T307 HydrophobicContact CD2-CG2 4.01Å; Y262-T307 HydrophobicContact CG-CG2 3.6Å; Y262-E308 HydrophobicContact CE1-CG 4.11Å; Y262-E308 PolarHBondContact OH-OE1 3.17Å; Y262-M371 HydrophobicContact CE2-CB 4.33Å; Y262-M371 HydrophobicContact CE2-CE 4.48Å; Y262-M371 HydrophobicContact CE2-CG 4Å
263L91.8Very high94.7Very high159 Ų15970.6 Ų70.683%0.83233%0.332SS*.SBendtrans61.39.2-173.8-55175.7000114.7D259D259-L263 WeakPolarHBondContact O-CA 3.49Å; D259-L263 PolarHBondContact O-N 2.94Å
264R92.9Very high94.8Very high78 Ų7867.6 Ų67.629%0.29432%0.317SS..  trans-159.7158.317766.2-173.2-58.5-167.93.3110.2D259 Y262 T307 K313 D314 L316D259-R264 WeakPolarHBondContact OD1-CA 3.48Å; Y262-R264 PolarHBondContact O-N 2.96Å; Y262-R264 VanDerWaalsContact O-N 3.09Å; R264-T307 HydrophobicContact CG-CG2 4.16Å; R264-K313 PolarHBondContact NH1-O 3.13Å; R264-K313 PolarHBondContact NH2-O 3.03Å; R264-D314 PolarHBondContact NH2-O 3.47Å; R264-L316 HydrophobicContact CG-CD1 4.12Å
265S94.8Very high94.7Very high20 Ų2071.7 Ų71.714%0.1434%0.338CS..  trans-150.7154.2176.455.10000111.9R255 D259R255-S265 VanDerWaalsContact CG-OG 3.23Å; R255-S265 WeakPolarHBondContact CG-OG 3.43Å; R255-S265 PolarHBondContact NE-OG 3.45Å; D259-S265 VanDerWaalsContact CG-OG 3.23Å; D259-S265 WeakPolarHBondContact OD1-CB 3.34Å; D259-S265 PolarHBondContact OD1-N 2.85Å; D259-S265 PolarHBondContact OD1-OG 3.19Å; D259-S265 PolarHBondContact OD2-OG 3.29Å
266P96.5Very high94.3Very high1 Ų171.8 Ų71.81%0.00635%0.346CS..  trans-65.9151.1169.8-20.130.1000113.2Y251 L303 V306 T307 L316 P317 V319Y251-P266 PolarHBondContact OH-O 3.36Å; P266-L303 HydrophobicContact CB-CD2 3.85Å; P266-L303 HydrophobicContact CG-CD2 3.82Å; P266-V306 HydrophobicContact CB-CG1 4.25Å; P266-V306 HydrophobicContact CG-CB 3.7Å; P266-V306 HydrophobicContact CG-CG1 3.53Å; P266-T307 WeakPolarHBondContact CD-OG1 3.29Å; P266-L316 HydrophobicContact CB-CB 4.31Å; P266-L316 HydrophobicContact CG-CB 4.16Å; P266-L316 HydrophobicContact CG-CD1 4.06Å; P266-P317 WeakPolarHBondContact CB-O 3.33Å; P266-V319 HydrophobicContact CB-CG2 4.3Å
267G97.3Very high94.2Very high22 Ų2270.5 Ų70.523%0.22734%0.341CS..  trans-69.8171.8164.900000112.4Y251 D318 V319Y251-G267 VanDerWaalsContact OH-CA 3.27Å; Y251-G267 WeakPolarHBondContact OH-CA 3.26Å; G267-D318 WeakPolarHBondContact CA-OD1 3.5Å; G267-D318 PolarHBondContact N-OD1 2.8Å; G267-D318 WeakPolarHBondContact O-CA 3.21Å; G267-V319 PolarHBondContact O-N 3.28Å
268M98.1Very high94.2Very high32 Ų3274 Ų7416%0.15837%0.367CS..EExtended strand (participates in β ladder)trans-123.6131.5171.1179.6-179.768.700110.4I247 Y251 L270 L299 V319 V321I247-M268 HydrophobicContact CG2-CE 4.45Å; I247-M268 HydrophobicContact CG2-SD 4.19Å; Y251-M268 HydrophobicContact CD1-CB 4.12Å; Y251-M268 HydrophobicContact CD1-CE 3.86Å; Y251-M268 HydrophobicContact CD1-SD 4.36Å; Y251-M268 HydrophobicContact CD2-CB 3.72Å; Y251-M268 HydrophobicContact CD2-CE 4.48Å; Y251-M268 HydrophobicContact CD2-CG 4.32Å; Y251-M268 HydrophobicContact CD2-SD 3.92Å; Y251-M268 HydrophobicContact CE1-CB 3.92Å; Y251-M268 HydrophobicContact CE2-CB 3.51Å; Y251-M268 HydrophobicContact CG-CB 4.02Å; Y251-M268 HydrophobicContact CG-CE 3.77Å; Y251-M268 HydrophobicContact CG-CG 4.5Å; Y251-M268 HydrophobicContact CG-SD 3.73Å; Y251-M268 PolarHBondContact OH-N 3.12Å; M268-L270 HydrophobicContact CE-CB 4.27Å; M268-L270 HydrophobicContact CE-CD2 4.47Å; M268-L299 HydrophobicContact SD-CD2 4.33Å; M268-V319 WeakPolarHBondContact CA-O 3.35Å; M268-V321 HydrophobicContact CG-CG2 3.82Å; M268-V321 HydrophobicContact SD-CB 4.37Å; M268-V321 HydrophobicContact SD-CG2 3.67Å
269K98.2Very high94.1Very high111 Ų11179.2 Ų79.248%0.48340%0.403SS..EExtended strand (participates in β ladder)trans-103112.5167.2-67.6-175.1-172.9176.40109.1D318 V319 V321K269-D318 HydrophobicContact CD-CB 4.37Å; K269-D318 WeakPolarHBondContact CE-OD2 3.38Å; K269-D318 HydrophobicContact CG-CB 3.99Å; K269-D318 IonicContact NZ-OD2 3.74Å; K269-V319 PolarHBondContact N-O 2.85Å; K269-V321 PolarHBondContact O-N 3.35Å
270L98Very high94Very high58 Ų5881.7 Ų81.730%0.30441%0.413SS..EExtended strand (participates in β ladder)trans-103.2114.8-179.8-178.860000110.5L244 I247 M268 V321 V323L244-L270 HydrophobicContact CB-CD2 4.28Å; L244-L270 HydrophobicContact CD2-CD1 4.23Å; L244-L270 HydrophobicContact CD2-CD2 4.16Å; L244-L270 HydrophobicContact CD2-CG 4.34Å; I247-L270 HydrophobicContact CG2-CD1 4.2Å; M268-L270 HydrophobicContact CE-CB 4.27Å; M268-L270 HydrophobicContact CE-CD2 4.47Å; L270-V321 CarbonylContact C-O 3.56Å; L270-V321 WeakPolarHBondContact CA-O 3.43Å; L270-V321 HydrophobicContact CD1-CB 3.83Å; L270-V321 HydrophobicContact CD1-CG1 3.7Å; L270-V323 HydrophobicContact CD1-CG2 3.94Å
271E97Very high94Very high116 Ų11679.3 Ų79.354%0.54241%0.413SS..EExtended strand (participates in β ladder)trans-112.8140.7175.3-66.1-176.7175.100110.4V321 Q322 V323E271-V321 PolarHBondContact N-O 3.4Å; E271-Q322 CarbonylContact O-C 3.47Å; E271-Q322 WeakPolarHBondContact O-CA 3.41Å; E271-V323 PolarHBondContact O-N 2.98Å
272S96.6Very high94.4Very high68 Ų6873.3 Ų73.348%0.47639%0.39SS..EExtended strand (participates in β ladder)trans-134.4141.6-179.770.50000112.6V323S272-V323 CarbonylContact C-O 3.49Å; S272-V323 VanDerWaalsContact CA-O 3.24Å; S272-V323 WeakPolarHBondContact CA-O 3.38Å
273K96.6Very high94.6Very high129 Ų12973.1 Ų73.156%0.56139%0.394SS*.EExtended strand (participates in β ladder)trans-133.7115.2172.4-177.1-179176.2-175.50110.7V323 V324 K325K273-V323 PolarHBondContact N-O 3.46Å; K273-V324 HydrophobicContact CB-CG1 4.49Å; K273-V324 HydrophobicContact CB-CG2 4.37Å; K273-V324 WeakPolarHBondContact O-CA 3.49Å; K273-K325 PolarHBondContact O-N 2.88Å
274N96.4Very high94.8Very high10 Ų1065.8 Ų65.85%0.05336%0.355CS..EExtended strand (participates in β ladder)trans-99.7103.1173.2-171.4-14.6000109.5L276 Q277 P278 Q280 I282N274-L276 PolarHBondContact OD1-N 3.44Å; N274-Q277 WeakPolarHBondContact CB-O 3.4Å; N274-Q277 PolarHBondContact ND2-O 3.17Å; N274-Q277 VanDerWaalsContact ND2-O 3.14Å; N274-Q277 CarbonylContact O-C 3.49Å; N274-Q277 PolarHBondContact OD1-N 3.13Å; N274-Q277 VanDerWaalsContact OD1-N 3.13Å; N274-P278 VanDerWaalsContact O-CA 3.27Å; N274-P278 WeakPolarHBondContact O-CA 3.35Å; N274-Q280 PolarHBondContact ND2-O 3.49Å; N274-I282 HydrophobicContact CB-CG1 3.92Å
275D93.1Very high94.8Very high85 Ų8563.6 Ų63.646%0.45535%0.35SS..SBendtrans-69-35.7-173.5-165.757.7000112.3K325D275-K325 VanDerWaalsContact CB-O 3.29Å; D275-K325 WeakPolarHBondContact CB-O 3.24Å; D275-K325 PolarHBondContact N-O 3.24Å
276L89.3Confident94.8Very high96 Ų9662.7 Ų62.750%0.50334%0.344SS..SBendtrans-78.9-35.1-179-68176.7000112.8N274 K327N274-L276 PolarHBondContact OD1-N 3.44Å; L276-K327 HydrophobicContact CD2-CG 4.05Å
277Q92.1Very high94.7Very high105 Ų10562.7 Ų62.749%0.49134%0.344SS..  trans-141.579.3-176.1-64.8178.6-9.600110.4N274 S279 Q280N274-Q277 WeakPolarHBondContact CB-O 3.4Å; N274-Q277 PolarHBondContact ND2-O 3.17Å; N274-Q277 VanDerWaalsContact ND2-O 3.14Å; N274-Q277 CarbonylContact O-C 3.49Å; N274-Q277 PolarHBondContact OD1-N 3.13Å; N274-Q277 VanDerWaalsContact OD1-N 3.13Å; Q277-S279 PolarHBondContact O-N 3.33Å; Q277-Q280 HydrophobicContact CB-CB 3.91Å; Q277-Q280 HydrophobicContact CB-CG 4.05Å; Q277-Q280 PolarHBondContact O-N 3.37Å
278P91.7Very high94.5Very high116 Ų11661.6 Ų61.675%0.75333%0.333SS*.THydrogen-bonded Turntrans-57.6-24.8-171.9-28.435.9000115.7N274N274-P278 VanDerWaalsContact O-CA 3.27Å; N274-P278 WeakPolarHBondContact O-CA 3.35Å
279S91Very high94.2Very high109 Ų10961.5 Ų61.576%0.76234%0.335SS*.THydrogen-bonded Turntrans-91.5-4.8-18057.80000114.5Q277Q277-S279 PolarHBondContact O-N 3.33Å
280Q91.3Very high94.1Very high104 Ų10457 Ų5749%0.48632%0.316SS..SBendtrans-108.7144.1-175.8-65.6-65.8-40.800111.1N274 Q277N274-Q280 PolarHBondContact ND2-O 3.49Å; Q277-Q280 HydrophobicContact CB-CB 3.91Å; Q277-Q280 HydrophobicContact CB-CG 4.05Å; Q277-Q280 PolarHBondContact O-N 3.37Å
281P92.4Very high94.1Very high72 Ų7254.2 Ų54.247%0.46830%0.301SS..  trans-59.2154.1173.227.1-34.4000110.9T283P281-T283 PolarHBondContact O-N 2.67Å; P281-T283 VanDerWaalsContact O-N 3.11Å
282I96.2Very high94.1Very high1 Ų150 Ų501%0.00528%0.28CS..  trans-76.9103.6179.6-65.8177.5000109V243 N274 V323 K325 L330V243-I282 HydrophobicContact CB-CG2 4.15Å; V243-I282 HydrophobicContact CG2-CG2 4.05Å; V243-I282 PolarHBondContact N-O 2.83Å; N274-I282 HydrophobicContact CB-CG1 3.92Å; I282-V323 HydrophobicContact CD1-CB 4.13Å; I282-V323 HydrophobicContact CD1-CG1 3.68Å; I282-V323 WeakPolarHBondContact CD1-O 3.36Å; I282-V323 HydrophobicContact CG2-CG1 4.2Å; I282-K325 HydrophobicContact CD1-CB 4.24Å; I282-K325 HydrophobicContact CG1-CB 4.19Å; I282-K325 HydrophobicContact CG2-CB 3.89Å; I282-K325 HydrophobicContact CG2-CD 4.18Å; I282-L330 HydrophobicContact CG2-CD1 3.45Å; I282-L330 VanDerWaalsContact CG2-CD1 3.45Å
283T95.3Very high94Very high44 Ų4449.3 Ų49.327%0.2727%0.27SS..EExtended strand (participates in β ladder)trans-113.4143.417260.40000111.2C241 P281 K325C241-T283 VanDerWaalsContact O-CA 3.29Å; C241-T283 WeakPolarHBondContact O-CA 3.44Å; P281-T283 PolarHBondContact O-N 2.67Å; P281-T283 VanDerWaalsContact O-N 3.11Å; T283-K325 PolarHBondContact O-NZ 2.59Å
284I95.1Very high94.1Very high5 Ų543.2 Ų43.23%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-137.4163.9170.658.8158.5000110.1C241 V243 Y286 K325 L330 L408C241-I284 WeakPolarHBondContact CA-O 3.31Å; C241-I284 WeakPolarHBondContact CB-O 3.34Å; C241-I284 PolarHBondContact N-O 3.01Å; C241-I284 PolarHBondContact O-N 2.9Å; V243-I284 HydrophobicContact CG2-CD1 4.46Å; V243-I284 HydrophobicContact CG2-CG1 3.79Å; I284-Y286 HydrophobicContact CD1-CD2 3.79Å; I284-Y286 HydrophobicContact CD1-CG 3.84Å; I284-Y286 PolarHBondContact O-N 3Å; I284-K325 HydrophobicContact CG2-CD 4.35Å; I284-L330 HydrophobicContact CD1-CD2 3.47Å; I284-L330 VanDerWaalsContact CD1-CD2 3.47Å; I284-L330 HydrophobicContact CG1-CD2 4.02Å; I284-L330 HydrophobicContact CG2-CB 4.45Å; I284-L330 HydrophobicContact CG2-CD2 4.22Å; I284-L408 HydrophobicContact CD1-CD1 4.35Å
285V94Very high94.2Very high31 Ų3142.7 Ų42.719%0.18824%0.241CC..EExtended strand (participates in β ladder)trans-76.2116.9164.1170.40000107.8M32 I36 I237 P239 A412M32-V285 HydrophobicContact CB-CG1 4.24Å; M32-V285 HydrophobicContact SD-CG1 4.14Å; M32-V285 VanDerWaalsContact SD-O 3.35Å; I36-V285 HydrophobicContact CD1-CB 4.29Å; I36-V285 HydrophobicContact CD1-CG1 3.08Å; I36-V285 HydrophobicContact CD1-CG2 4.24Å; I36-V285 HydrophobicContact CG1-CG1 4.45Å; I237-V285 HydrophobicContact CG2-CG1 3.94Å; P239-V285 WeakPolarHBondContact O-CG2 3.39Å; V285-A412 HydrophobicContact CB-CB 3.84Å; V285-A412 HydrophobicContact CG1-CB 3.73Å; V285-A412 HydrophobicContact CG2-CB 4.06Å
286Y95.3Very high94.3Very high2 Ų240 Ų401%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-158.2176.4179.8-149.2-107.7000112.9M32 I237 D238 I284 P288 H290 L291 L408M32-Y286 HydrophobicContact CE-CD2 3.32Å; M32-Y286 HydrophobicContact CE-CE2 3.45Å; M32-Y286 VanDerWaalsContact CE-CE2 3.45Å; M32-Y286 HydrophobicContact CE-CG 4.06Å; M32-Y286 HydrophobicContact SD-CD2 4.07Å; I237-Y286 WeakPolarHBondContact CA-O 3.32Å; D238-Y286 PolarHBondContact N-O 3.45Å; D238-Y286 PolarHBondContact O-N 3.48Å; D238-Y286 VanDerWaalsContact O-N 3.16Å; I284-Y286 HydrophobicContact CD1-CD2 3.79Å; I284-Y286 HydrophobicContact CD1-CG 3.84Å; I284-Y286 PolarHBondContact O-N 3Å; Y286-P288 WeakPolarHBondContact O-CD 3.26Å; Y286-H290 HydrophobicContact CE1-CB 4.05Å; Y286-L291 HydrophobicContact CD1-CB 3.9Å; Y286-L291 HydrophobicContact CE1-CB 3.98Å; Y286-L408 HydrophobicContact CD1-CD1 4.39Å; Y286-L408 HydrophobicContact CD2-CD1 4.31Å; Y286-L408 HydrophobicContact CE1-CD1 3.98Å; Y286-L408 HydrophobicContact CE1-CD2 4.5Å; Y286-L408 HydrophobicContact CE2-CB 4.35Å; Y286-L408 HydrophobicContact CE2-CD1 3.9Å; Y286-L408 HydrophobicContact CE2-CD2 3.87Å; Y286-L408 HydrophobicContact CE2-CG 4.27Å; Y286-L408 WeakPolarHBondContact OH-CD2 3.38Å
287V92.8Very high94.6Very high0 Ų036.6 Ų36.60%021%0.207CC..  trans-97.2104.6170.9-179.80000108.1M194 C236 I237 S289 H290 L291 F388M194-V287 HydrophobicContact CE-CG2 3.58Å; M194-V287 HydrophobicContact SD-CG2 3.9Å; C236-V287 HydrophobicContact CB-CG1 4.49Å; I237-V287 HydrophobicContact CG1-CG2 3.83Å; V287-S289 WeakPolarHBondContact CG1-OG 3.39Å; V287-S289 PolarHBondContact O-N 3.33Å; V287-S289 VanDerWaalsContact O-N 3.17Å; V287-H290 HydrophobicContact CB-CB 4.14Å; V287-H290 HydrophobicContact CG1-CB 4.25Å; V287-H290 WeakPolarHBondContact O-CB 3.14Å; V287-H290 PolarHBondContact O-N 2.93Å; V287-L291 PolarHBondContact O-N 3.44Å; V287-F388 HydrophobicContact CG2-CE2 4.26Å
288P94.1Very high94.8Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-56.5-37.9-173.2-26.834.6000113F227 D238 V246 Y286 H290 L291 Y292F227-P288 HydrophobicContact CB-CB 4.17Å; F227-P288 HydrophobicContact CD1-CB 4.37Å; F227-P288 HydrophobicContact CD2-CB 4.24Å; F227-P288 HydrophobicContact CG-CB 3.99Å; D238-P288 HydrophobicContact CB-CG 3.65Å; V246-P288 HydrophobicContact CG2-CB 4.14Å; Y286-P288 WeakPolarHBondContact O-CD 3.26Å; P288-H290 VanDerWaalsContact C-N 3.3Å; P288-H290 PolarHBondContact O-N 3.04Å; P288-L291 PolarHBondContact O-N 3.13Å; P288-Y292 VanDerWaalsContact O-CB 3.26Å; P288-Y292 WeakPolarHBondContact O-CB 3.13Å; P288-Y292 PolarHBondContact O-N 3.08Å
289S92.7Very high95.1Very high30 Ų3026.4 Ų26.421%0.2115%0.149CC..Hα-helixtrans-65.5-29.6178.763.10000113.8Y228 V287 H293Y228-S289 PolarHBondContact OH-OG 2.51Å; V287-S289 WeakPolarHBondContact CG1-OG 3.39Å; V287-S289 PolarHBondContact O-N 3.33Å; V287-S289 VanDerWaalsContact O-N 3.17Å; S289-H293 WeakPolarHBondContact O-CB 3.47Å; S289-H293 PolarHBondContact O-N 3.27Å; S289-H293 VanDerWaalsContact O-N 3.12Å
290H95.3Very high95.3Very high16 Ų1622.2 Ų22.27%0.07412%0.117CC..Hα-helixtrans-72.3-47.2175.1-68.5-174000110.2Y286 V287 P288 Y292 H293 I294 Y384Y286-H290 HydrophobicContact CE1-CB 4.05Å; V287-H290 HydrophobicContact CB-CB 4.14Å; V287-H290 HydrophobicContact CG1-CB 4.25Å; V287-H290 WeakPolarHBondContact O-CB 3.14Å; V287-H290 PolarHBondContact O-N 2.93Å; P288-H290 VanDerWaalsContact C-N 3.3Å; P288-H290 PolarHBondContact O-N 3.04Å; H290-Y292 VanDerWaalsContact C-N 3.34Å; H290-Y292 PolarHBondContact O-N 3.35Å; H290-H293 PolarHBondContact O-N 3.28Å; H290-I294 WeakPolarHBondContact O-CG1 3.23Å; H290-I294 PolarHBondContact O-N 3.48Å; H290-I294 VanDerWaalsContact O-N 3.14Å; H290-Y384 HydrophobicContact CB-CD1 3.94Å; H290-Y384 AromaticContact CD2-CD1 3.66Å; H290-Y384 AromaticContact CD2-CE1 3.43Å; H290-Y384 VanDerWaalsContact CD2-CE1 3.43Å; H290-Y384 WeakPolarHBondContact CD2-CE1 2.92Å; H290-Y384 AromaticContact CG-CD1 3.55Å; H290-Y384 AromaticContact CG-CE1 3.85Å; H290-Y384 AromaticContact ND1-CD1 3.82Å; H290-Y384 AromaticContact NE2-CD1 4Å; H290-Y384 AromaticContact NE2-CE1 3.62Å
291L97.6Very high95.5Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-60.6-46.3176.5176.460.9000110.7V243 V246 Y286 V287 P288 H293 I294 M295 I332 L408V243-L291 HydrophobicContact CB-CD2 4.48Å; V243-L291 HydrophobicContact CG1-CD2 4.15Å; V243-L291 HydrophobicContact CG2-CD2 4.45Å; V246-L291 HydrophobicContact CB-CD2 3.95Å; V246-L291 HydrophobicContact CB-CG 4.36Å; V246-L291 HydrophobicContact CG1-CB 4.02Å; V246-L291 HydrophobicContact CG1-CD2 3.83Å; V246-L291 HydrophobicContact CG1-CG 3.7Å; V246-L291 HydrophobicContact CG2-CD2 4.46Å; Y286-L291 HydrophobicContact CD1-CB 3.9Å; Y286-L291 HydrophobicContact CE1-CB 3.98Å; V287-L291 PolarHBondContact O-N 3.44Å; P288-L291 PolarHBondContact O-N 3.13Å; L291-H293 VanDerWaalsContact C-N 3.32Å; L291-H293 PolarHBondContact O-N 3.37Å; L291-I294 PolarHBondContact O-N 2.95Å; L291-M295 HydrophobicContact CD1-CE 4.12Å; L291-M295 HydrophobicContact CD1-CG 3.83Å; L291-M295 HydrophobicContact CD1-SD 4.4Å; L291-M295 HydrophobicContact CG-CG 4.21Å; L291-M295 WeakPolarHBondContact O-CB 3.41Å; L291-M295 VanDerWaalsContact O-CG 3.29Å; L291-M295 WeakPolarHBondContact O-CG 3.31Å; L291-M295 PolarHBondContact O-N 2.89Å; L291-I332 HydrophobicContact CD1-CD1 3.85Å; L291-L408 HydrophobicContact CD1-CD1 4.11Å
292Y97.4Very high95.7Very high26 Ų2616.3 Ų16.310%0.1029%0.086CC..Hα-helixtrans-54.2-47.5175.8178.4-88.4000111.6H225 F227 D249 A250 N253 P288 H290 I294 M295 H296H225-Y292 AromaticContact CE1-CD1 3.64Å; H225-Y292 AromaticContact CE1-CD2 3.82Å; H225-Y292 AromaticContact CE1-CE1 3.59Å; H225-Y292 AromaticContact CE1-CE2 3.73Å; H225-Y292 AromaticContact CE1-CG 3.78Å; H225-Y292 AromaticContact CE1-CZ 3.64Å; H225-Y292 AromaticContact NE2-CD1 3.5Å; H225-Y292 WeakPolarHBondContact NE2-CD1 3.35Å; H225-Y292 AromaticContact NE2-CE1 3.43Å; H225-Y292 WeakPolarHBondContact NE2-CE1 3.37Å; H225-Y292 AromaticContact NE2-CZ 3.92Å; F227-Y292 HydrophobicContact CE2-CD2 4.03Å; F227-Y292 HydrophobicContact CE2-CG 4.42Å; F227-Y292 HydrophobicContact CZ-CD2 4.43Å; D249-Y292 HydrophobicContact CB-CD2 4.46Å; D249-Y292 HydrophobicContact CB-CE2 4.28Å; A250-Y292 VanDerWaalsContact CA-CE2 3.49Å; A250-Y292 HydrophobicContact CB-CD2 3.88Å; A250-Y292 HydrophobicContact CB-CE2 3.95Å; N253-Y292 VanDerWaalsContact CB-OH 3.26Å; N253-Y292 WeakPolarHBondContact CB-OH 3.29Å; N253-Y292 VanDerWaalsContact CG-OH 3.3Å; N253-Y292 PolarHBondContact ND2-OH 3.21Å; P288-Y292 VanDerWaalsContact O-CB 3.26Å; P288-Y292 WeakPolarHBondContact O-CB 3.13Å; P288-Y292 PolarHBondContact O-N 3.08Å; H290-Y292 VanDerWaalsContact C-N 3.34Å; H290-Y292 PolarHBondContact O-N 3.35Å; Y292-I294 PolarHBondContact O-N 3.07Å; Y292-M295 PolarHBondContact O-N 3.46Å; Y292-H296 HydrophobicContact CD1-CB 4.48Å; Y292-H296 HydrophobicContact CE1-CB 4.12Å; Y292-H296 WeakPolarHBondContact O-CB 3.1Å; Y292-H296 PolarHBondContact O-N 3.14Å
293H94.8Very high95.7Very high55 Ų5516.3 Ų16.326%0.2559%0.086SC..Hα-helixtrans-60.4-46.4179-176.585.5000112.2S289 H290 L291 E297 Y384S289-H293 WeakPolarHBondContact O-CB 3.47Å; S289-H293 PolarHBondContact O-N 3.27Å; S289-H293 VanDerWaalsContact O-N 3.12Å; H290-H293 PolarHBondContact O-N 3.28Å; L291-H293 VanDerWaalsContact C-N 3.32Å; L291-H293 PolarHBondContact O-N 3.37Å; H293-E297 WeakPolarHBondContact O-CG 3.47Å; H293-E297 PolarHBondContact O-N 3.42Å; H293-E297 VanDerWaalsContact O-N 3.07Å; H293-Y384 HydrophobicContact CB-CE2 4.38Å; H293-Y384 AromaticContact CD2-CD2 3.37Å; H293-Y384 WeakPolarHBondContact CD2-CD2 3.49Å; H293-Y384 AromaticContact CD2-CE2 3.35Å; H293-Y384 WeakPolarHBondContact CD2-CE2 3.39Å; H293-Y384 AromaticContact CG-CE2 3.8Å; H293-Y384 AromaticContact NE2-CD2 3.99Å; H293-Y384 AromaticContact NE2-CE2 3.69Å
294I97.8Very high95.7Very high0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-60.5-49.5178.1-60.1165.5000110.1H290 L291 Y292 L298 A385 L392 V406H290-I294 WeakPolarHBondContact O-CG1 3.23Å; H290-I294 PolarHBondContact O-N 3.48Å; H290-I294 VanDerWaalsContact O-N 3.14Å; L291-I294 PolarHBondContact O-N 2.95Å; Y292-I294 PolarHBondContact O-N 3.07Å; I294-L298 HydrophobicContact CG2-CD1 3.92Å; I294-L298 HydrophobicContact CG2-CG 4.47Å; I294-L298 WeakPolarHBondContact O-CB 3.33Å; I294-L298 VanDerWaalsContact O-CG 3.28Å; I294-L298 WeakPolarHBondContact O-CG 3.29Å; I294-L298 PolarHBondContact O-N 2.93Å; I294-L298 VanDerWaalsContact O-N 3.08Å; I294-A385 HydrophobicContact CD1-CB 4.11Å; I294-L392 HydrophobicContact CG2-CD1 3.85Å; I294-V406 HydrophobicContact CG2-CG1 4.24Å; I294-V406 HydrophobicContact CG2-CG2 3.76Å
295M98.3Very high95.7Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-64.8-45-177.8-66.3-59.9103.800111.4I247 A250 L291 Y292 E297 L298 L299 I332 I334 V406I247-M295 HydrophobicContact CD1-SD 4.29Å; I247-M295 HydrophobicContact CG1-CG 3.78Å; I247-M295 HydrophobicContact CG1-SD 3.78Å; A250-M295 HydrophobicContact CB-CB 3.61Å; L291-M295 HydrophobicContact CD1-CE 4.12Å; L291-M295 HydrophobicContact CD1-CG 3.83Å; L291-M295 HydrophobicContact CD1-SD 4.4Å; L291-M295 HydrophobicContact CG-CG 4.21Å; L291-M295 WeakPolarHBondContact O-CB 3.41Å; L291-M295 VanDerWaalsContact O-CG 3.29Å; L291-M295 WeakPolarHBondContact O-CG 3.31Å; L291-M295 PolarHBondContact O-N 2.89Å; Y292-M295 PolarHBondContact O-N 3.46Å; M295-E297 PolarHBondContact O-N 2.92Å; M295-L298 HydrophobicContact CE-CD1 4.25Å; M295-L298 PolarHBondContact O-N 3.31Å; M295-L299 HydrophobicContact CB-CD1 4.31Å; M295-L299 VanDerWaalsContact O-CB 3.25Å; M295-L299 WeakPolarHBondContact O-CB 3.34Å; M295-L299 WeakPolarHBondContact O-CD1 3.42Å; M295-L299 WeakPolarHBondContact O-CG 3.47Å; M295-L299 PolarHBondContact O-N 3.04Å; M295-I332 HydrophobicContact CE-CD1 3.97Å; M295-I332 HydrophobicContact CE-CG2 4.25Å; M295-I332 HydrophobicContact SD-CD1 4.12Å; M295-I332 HydrophobicContact SD-CG2 4Å; M295-I334 HydrophobicContact CE-CD1 4.48Å; M295-I334 HydrophobicContact SD-CD1 4.12Å; M295-V406 HydrophobicContact CE-CB 4.25Å; M295-V406 HydrophobicContact CE-CG1 4.39Å; M295-V406 HydrophobicContact CE-CG2 3.79Å
296H95.7Very high95.8Very high27 Ų2715.4 Ų15.413%0.1258%0.08CC..Hα-helixtrans-60.8-45.9-179.7179.3-95.5000111.4A250 Y292 K300A250-H296 HydrophobicContact CB-CB 4.15Å; Y292-H296 HydrophobicContact CD1-CB 4.48Å; Y292-H296 HydrophobicContact CE1-CB 4.12Å; Y292-H296 WeakPolarHBondContact O-CB 3.1Å; Y292-H296 PolarHBondContact O-N 3.14Å; H296-K300 WeakPolarHBondContact O-CB 3.15Å; H296-K300 PolarHBondContact O-N 3.08Å
297E95.2Very high95.8Very high25 Ų2515.6 Ų15.612%0.1178%0.081CC..Hα-helixtrans-66.8-41.9178.3-72.1-57.3109.900112.7H293 M295 K300 N301 G377 S381H293-E297 WeakPolarHBondContact O-CG 3.47Å; H293-E297 PolarHBondContact O-N 3.42Å; H293-E297 VanDerWaalsContact O-N 3.07Å; M295-E297 PolarHBondContact O-N 2.92Å; E297-K300 IonicContact OE1-NZ 2.78Å; E297-K300 PolarHBondContact OE1-NZ 2.99Å; E297-K300 IonicContact OE2-NZ 3.19Å; E297-K300 PolarHBondContact OE2-NZ 3.37Å; E297-N301 PolarHBondContact O-N 3.41Å; E297-N301 VanDerWaalsContact O-N 3.13Å; E297-N301 PolarHBondContact O-ND2 3.27Å; E297-G377 VanDerWaalsContact OE2-CA 3.29Å; E297-G377 WeakPolarHBondContact OE2-CA 3.28Å; E297-S381 WeakPolarHBondContact CB-OG 3.46Å
298L97.4Very high95.9Very high7 Ų719 Ų194%0.03710%0.097CC..Hα-helixtrans-66.9-46.3178.2-69.9178.9000112.1I294 M295 N301 A302 I334 L378 L392 A404 V406I294-L298 HydrophobicContact CG2-CD1 3.92Å; I294-L298 HydrophobicContact CG2-CG 4.47Å; I294-L298 WeakPolarHBondContact O-CB 3.33Å; I294-L298 VanDerWaalsContact O-CG 3.28Å; I294-L298 WeakPolarHBondContact O-CG 3.29Å; I294-L298 PolarHBondContact O-N 2.93Å; I294-L298 VanDerWaalsContact O-N 3.08Å; M295-L298 HydrophobicContact CE-CD1 4.25Å; M295-L298 PolarHBondContact O-N 3.31Å; L298-N301 PolarHBondContact O-N 3.5Å; L298-A302 PolarHBondContact O-N 2.82Å; L298-I334 HydrophobicContact CB-CD1 3.59Å; L298-I334 HydrophobicContact CD1-CD1 3.88Å; L298-I334 HydrophobicContact CG-CD1 4.4Å; L298-L378 HydrophobicContact CD2-CD2 3.55Å; L298-L392 HydrophobicContact CD1-CD1 4.05Å; L298-L392 HydrophobicContact CD1-CG 4.48Å; L298-L392 HydrophobicContact CD2-CD1 4.2Å; L298-L392 HydrophobicContact CD2-CD2 4.48Å; L298-L392 HydrophobicContact CG-CD1 4.36Å; L298-A404 HydrophobicContact CD1-CB 4.14Å; L298-A404 HydrophobicContact CD2-CB 3.95Å; L298-V406 HydrophobicContact CD1-CG2 3.51Å
299L97.8Very high95.9Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-65-43.5179-70.2164.7000110.9A250 Y251 A254 M268 M295 N301 A302 L303 V319 V321 I334A250-L299 HydrophobicContact CB-CD1 4.25Å; Y251-L299 HydrophobicContact CD2-CD2 4.48Å; A254-L299 HydrophobicContact CB-CB 4.16Å; M268-L299 HydrophobicContact SD-CD2 4.33Å; M295-L299 HydrophobicContact CB-CD1 4.31Å; M295-L299 VanDerWaalsContact O-CB 3.25Å; M295-L299 WeakPolarHBondContact O-CB 3.34Å; M295-L299 WeakPolarHBondContact O-CD1 3.42Å; M295-L299 WeakPolarHBondContact O-CG 3.47Å; M295-L299 PolarHBondContact O-N 3.04Å; L299-N301 VanDerWaalsContact C-N 3.29Å; L299-N301 PolarHBondContact O-N 3.15Å; L299-A302 PolarHBondContact O-N 3.46Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 WeakPolarHBondContact O-CG 3.16Å; L299-L303 PolarHBondContact O-N 2.91Å; L299-V319 HydrophobicContact CD2-CG1 4.25Å; L299-V321 HydrophobicContact CD2-CG2 4.03Å; L299-I334 HydrophobicContact CD2-CD1 4.28Å; L299-I334 HydrophobicContact CD2-CG2 4.22Å; L299-I334 HydrophobicContact CG-CD1 4.23Å
300K95.2Very high95.9Very high22 Ų2224 Ų2410%0.09611%0.113CC..Hα-helixtrans-55.7-43.7174-175.7-173.771.6-168.90112A254 H296 E297 R304 M371A254-K300 HydrophobicContact CB-CB 4.21Å; H296-K300 WeakPolarHBondContact O-CB 3.15Å; H296-K300 PolarHBondContact O-N 3.08Å; E297-K300 IonicContact OE1-NZ 2.78Å; E297-K300 PolarHBondContact OE1-NZ 2.99Å; E297-K300 IonicContact OE2-NZ 3.19Å; E297-K300 PolarHBondContact OE2-NZ 3.37Å; K300-R304 VanDerWaalsContact O-CB 3.31Å; K300-R304 WeakPolarHBondContact O-CB 3.36Å; K300-R304 PolarHBondContact O-N 2.98Å; K300-M371 WeakPolarHBondContact CD-O 3.4Å; K300-M371 HydrophobicContact CD-SD 4.44Å; K300-M371 WeakPolarHBondContact CE-O 3.21Å; K300-M371 HydrophobicContact CG-CE 3.67Å; K300-M371 WeakPolarHBondContact CG-O 3.18Å; K300-M371 HydrophobicContact CG-SD 3.77Å; K300-M371 WeakPolarHBondContact O-CE 3.25Å
301N94.8Very high95.5Very high48 Ų4829.2 Ų29.226%0.25714%0.137SC..Hα-helixtrans-66.6-43.2176.9-70.5-30.6000112.4E297 L298 L299 R304 A305E297-N301 PolarHBondContact O-N 3.41Å; E297-N301 VanDerWaalsContact O-N 3.13Å; E297-N301 PolarHBondContact O-ND2 3.27Å; L298-N301 PolarHBondContact O-N 3.5Å; L299-N301 VanDerWaalsContact C-N 3.29Å; L299-N301 PolarHBondContact O-N 3.15Å; N301-R304 PolarHBondContact O-N 3.04Å; N301-A305 WeakPolarHBondContact O-CB 3.44Å; N301-A305 PolarHBondContact O-N 2.99Å
302A97.1Very high95.1Very high4 Ų437 Ų373%0.03318%0.179CC..Hα-helixtrans-62.9-4717700000111.7L298 L299 R304 A305 V306 V319 I334 D336L298-A302 PolarHBondContact O-N 2.82Å; L299-A302 PolarHBondContact O-N 3.46Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.36Å; A302-A305 PolarHBondContact O-N 3.37Å; A302-V306 WeakPolarHBondContact O-CG2 3.3Å; A302-V306 PolarHBondContact O-N 2.75Å; A302-V319 HydrophobicContact CB-CG1 4.08Å; A302-V319 HydrophobicContact CB-CG2 4.08Å; A302-I334 HydrophobicContact CB-CG2 4.31Å; A302-D336 HydrophobicContact CB-CB 4.01Å
303L97Very high94.7Very high0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-61.1-43.6177.5-65.6174.2000111.3Y251 A254 R255 C258 P266 L299 T307 V319 M371Y251-L303 HydrophobicContact CE2-CD1 4.35Å; Y251-L303 HydrophobicContact CE2-CD2 4Å; A254-L303 HydrophobicContact CB-CD1 3.92Å; R255-L303 HydrophobicContact CB-CD1 4.46Å; C258-L303 HydrophobicContact CB-CB 4.33Å; C258-L303 HydrophobicContact CB-CD1 4.31Å; P266-L303 HydrophobicContact CB-CD2 3.85Å; P266-L303 HydrophobicContact CG-CD2 3.82Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 WeakPolarHBondContact O-CG 3.16Å; L299-L303 PolarHBondContact O-N 2.91Å; L303-T307 VanDerWaalsContact O-CB 3.29Å; L303-T307 WeakPolarHBondContact O-CB 3.32Å; L303-T307 PolarHBondContact O-N 3.05Å; L303-T307 PolarHBondContact O-OG1 3.03Å; L303-V319 HydrophobicContact CD2-CG2 4.02Å; L303-M371 HydrophobicContact CB-CE 4.47Å
304R94.5Very high94.3Very high33 Ų3346.3 Ų46.313%0.12523%0.227CC..Hα-helixtrans-58.1-53.1173.5175.8177.3-177.7-148.3-8.7111.3K300 N301 A302 V306 T307 E308 M371K300-R304 VanDerWaalsContact O-CB 3.31Å; K300-R304 WeakPolarHBondContact O-CB 3.36Å; K300-R304 PolarHBondContact O-N 2.98Å; N301-R304 PolarHBondContact O-N 3.04Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.36Å; R304-V306 PolarHBondContact O-N 3.49Å; R304-T307 PolarHBondContact O-N 3.02Å; R304-E308 HydrophobicContact CG-CG 4.26Å; R304-E308 IonicContact CZ-OE1 3.95Å; R304-E308 IonicContact CZ-OE2 3.41Å; R304-E308 IonicContact NE-OE1 3.8Å; R304-E308 PolarHBondContact NE-OE1 2.9Å; R304-E308 IonicContact NE-OE2 2.91Å; R304-E308 IonicContact NH2-OE1 3.79Å; R304-E308 PolarHBondContact NH2-OE1 3.02Å; R304-E308 IonicContact NH2-OE2 2.82Å; R304-E308 WeakPolarHBondContact O-CB 3.41Å; R304-E308 WeakPolarHBondContact O-CG 3.39Å; R304-E308 PolarHBondContact O-N 2.73Å; R304-M371 HydrophobicContact CB-CE 4.19Å
305A95.1Very high94Very high28 Ų2850.7 Ų50.723%0.23126%0.258CS..Hα-helixtrans-60.3-44.6-175.900000112.1N301 A302 Y309N301-A305 WeakPolarHBondContact O-CB 3.44Å; N301-A305 PolarHBondContact O-N 2.99Å; A302-A305 PolarHBondContact O-N 3.37Å; A305-Y309 WeakPolarHBondContact O-CB 3.27Å; A305-Y309 PolarHBondContact O-N 3.28Å
306V97Very high93.9Very high1 Ų151.6 Ų51.61%0.00626%0.263CS..Hα-helixtrans-64.3-44.7176.8175.70000111.4P266 A302 R304 Y309 Q310 L316 P317 V319 D336P266-V306 HydrophobicContact CB-CG1 4.25Å; P266-V306 HydrophobicContact CG-CB 3.7Å; P266-V306 HydrophobicContact CG-CG1 3.53Å; A302-V306 WeakPolarHBondContact O-CG2 3.3Å; A302-V306 PolarHBondContact O-N 2.75Å; R304-V306 PolarHBondContact O-N 3.49Å; V306-Y309 PolarHBondContact O-N 2.88Å; V306-Q310 HydrophobicContact CG1-CG 4.4Å; V306-Q310 WeakPolarHBondContact O-CB 3.48Å; V306-Q310 WeakPolarHBondContact O-CG 3.2Å; V306-Q310 PolarHBondContact O-N 3.39Å; V306-L316 HydrophobicContact CG1-CB 4.19Å; V306-P317 HydrophobicContact CG1-CG 3.74Å; V306-V319 HydrophobicContact CG2-CG2 4.43Å; V306-D336 HydrophobicContact CG2-CB 3.87Å
307T95.2Very high93.9Very high5 Ų552 Ų523%0.03127%0.267CS..Hα-helixtrans-67.3-40.8-177.1-52.40000111.7Y262 R264 P266 L303 R304 Q311 L316Y262-T307 HydrophobicContact CD1-CG2 3.97Å; Y262-T307 HydrophobicContact CD2-CG2 4.01Å; Y262-T307 HydrophobicContact CG-CG2 3.6Å; R264-T307 HydrophobicContact CG-CG2 4.16Å; P266-T307 WeakPolarHBondContact CD-OG1 3.29Å; L303-T307 VanDerWaalsContact O-CB 3.29Å; L303-T307 WeakPolarHBondContact O-CB 3.32Å; L303-T307 PolarHBondContact O-N 3.05Å; L303-T307 PolarHBondContact O-OG1 3.03Å; R304-T307 PolarHBondContact O-N 3.02Å; T307-Q311 WeakPolarHBondContact O-CG 3.46Å; T307-Q311 PolarHBondContact O-N 3.22Å; T307-L316 HydrophobicContact CG2-CD1 4.29Å
308E93.8Very high94Very high71 Ų7153.6 Ų53.633%0.33228%0.277SS..Hα-helixtrans-71.5-37.7176.9-71.717917300112.6Y262 R304 Q311Y262-E308 HydrophobicContact CE1-CG 4.11Å; Y262-E308 PolarHBondContact OH-OE1 3.17Å; R304-E308 HydrophobicContact CG-CG 4.26Å; R304-E308 IonicContact CZ-OE1 3.95Å; R304-E308 IonicContact CZ-OE2 3.41Å; R304-E308 IonicContact NE-OE1 3.8Å; R304-E308 PolarHBondContact NE-OE1 2.9Å; R304-E308 IonicContact NE-OE2 2.91Å; R304-E308 IonicContact NH2-OE1 3.79Å; R304-E308 PolarHBondContact NH2-OE1 3.02Å; R304-E308 IonicContact NH2-OE2 2.82Å; R304-E308 WeakPolarHBondContact O-CB 3.41Å; R304-E308 WeakPolarHBondContact O-CG 3.39Å; R304-E308 PolarHBondContact O-N 2.73Å; E308-Q311 WeakPolarHBondContact O-CG 3.49Å
309Y94.7Very high94.1Very high115 Ų11553.2 Ų53.245%0.45128%0.275SS..Hα-helixtrans-78.8-29.1-177.6-174.7-117.6000113.5A305 V306 G339 G399A305-Y309 WeakPolarHBondContact O-CB 3.27Å; A305-Y309 PolarHBondContact O-N 3.28Å; V306-Y309 PolarHBondContact O-N 2.88Å; Y309-G339 VanDerWaalsContact CD1-CA 3.48Å; Y309-G399 PolarHBondContact OH-O 3.45Å
310Q92.3Very high94.1Very high22 Ų2256.2 Ų56.210%0.10329%0.291CS..THydrogen-bonded Turntrans-110.428.4-175.5-53.3-70.4-13.600112.3V306 D312 K313 L316 P317 N337V306-Q310 HydrophobicContact CG1-CG 4.4Å; V306-Q310 WeakPolarHBondContact O-CB 3.48Å; V306-Q310 WeakPolarHBondContact O-CG 3.2Å; V306-Q310 PolarHBondContact O-N 3.39Å; Q310-D312 PolarHBondContact O-N 2.92Å; Q310-D312 VanDerWaalsContact O-N 3.13Å; Q310-K313 HydrophobicContact CB-CB 4.44Å; Q310-K313 HydrophobicContact CB-CD 4.47Å; Q310-K313 PolarHBondContact O-N 2.84Å; Q310-L316 HydrophobicContact CB-CD2 3.73Å; Q310-P317 HydrophobicContact CG-CG 4.29Å; Q310-N337 PolarHBondContact NE2-O 3.02Å
311Q87.3Confident94.3Very high124 Ų12455.2 Ų55.258%0.57929%0.287SS*.THydrogen-bonded Turntrans-52.2-37.6-176.4-74.1177.3-2.500112.9T307 E308 K313T307-Q311 WeakPolarHBondContact O-CG 3.46Å; T307-Q311 PolarHBondContact O-N 3.22Å; E308-Q311 WeakPolarHBondContact O-CG 3.49Å; Q311-K313 VanDerWaalsContact C-N 3.32Å; Q311-K313 PolarHBondContact O-N 3.44Å
312D88.7Confident94.4Very high164 Ų16456.8 Ų56.888%0.87729%0.292SS*.THydrogen-bonded Turntrans-81.4-3.4-177.3-59.2-40.9000114.4Q310Q310-D312 PolarHBondContact O-N 2.92Å; Q310-D312 VanDerWaalsContact O-N 3.13Å
313K88.2Confident94.5Very high110 Ų11056.6 Ų56.648%0.47829%0.291SS..  trans-93.3139.6179.5-69.1-167.1-179.2158.90112.2R264 Q310 Q311 S315R264-K313 PolarHBondContact NH1-O 3.13Å; R264-K313 PolarHBondContact NH2-O 3.03Å; Q310-K313 HydrophobicContact CB-CB 4.44Å; Q310-K313 HydrophobicContact CB-CD 4.47Å; Q310-K313 PolarHBondContact O-N 2.84Å; Q311-K313 VanDerWaalsContact C-N 3.32Å; Q311-K313 PolarHBondContact O-N 3.44Å; K313-S315 VanDerWaalsContact C-N 3.31Å; K313-S315 WeakPolarHBondContact CB-O 3.48Å; K313-S315 PolarHBondContact O-N 3.32Å
314D86.9Confident94.6Very high167 Ų16758.7 Ų58.789%0.89330%0.304SS*.SBendtrans-62.4-38.1174.7-66-31.4000112.1R264R264-D314 PolarHBondContact NH2-O 3.47Å
315S91.9Very high94.7Very high92 Ų9258.6 Ų58.664%0.64330%0.304SS*.SBendtrans-118.7136176.260.30000111.8K313K313-S315 VanDerWaalsContact C-N 3.31Å; K313-S315 WeakPolarHBondContact CB-O 3.48Å; K313-S315 PolarHBondContact O-N 3.32Å
316L95.7Very high94.8Very high19 Ų1958.1 Ų58.110%0.09930%0.302CS..PPolyproline II helixtrans-89.3136.4175-60.4178000109.2R264 P266 V306 T307 Q310R264-L316 HydrophobicContact CG-CD1 4.12Å; P266-L316 HydrophobicContact CB-CB 4.31Å; P266-L316 HydrophobicContact CG-CB 4.16Å; P266-L316 HydrophobicContact CG-CD1 4.06Å; V306-L316 HydrophobicContact CG1-CB 4.19Å; T307-L316 HydrophobicContact CG2-CD1 4.29Å; Q310-L316 HydrophobicContact CB-CD2 3.73Å
317P96.3Very high94.7Very high35 Ų3565.2 Ų65.223%0.22733%0.332CS..PPolyproline II helixtrans-67139.4174.828.1-33.9000110.9P266 V306 Q310 N337P266-P317 WeakPolarHBondContact CB-O 3.33Å; V306-P317 HydrophobicContact CG1-CG 3.74Å; Q310-P317 HydrophobicContact CG-CG 4.29Å; P317-N337 HydrophobicContact CB-CB 4.31Å; P317-N337 HydrophobicContact CG-CB 3.91Å
318D97.7Very high94.7Very high58 Ų5870.5 Ų70.531%0.3136%0.357SS..PPolyproline II helixtrans-64.4145.9178.7-62.1-31.2000112.3G267 K269G267-D318 WeakPolarHBondContact CA-OD1 3.5Å; G267-D318 PolarHBondContact N-OD1 2.8Å; G267-D318 WeakPolarHBondContact O-CA 3.21Å; K269-D318 HydrophobicContact CD-CB 4.37Å; K269-D318 WeakPolarHBondContact CE-OD2 3.38Å; K269-D318 HydrophobicContact CG-CB 3.99Å; K269-D318 IonicContact NZ-OD2 3.74Å
319V98.4Very high94.8Very high0 Ų069.8 Ų69.80%036%0.355CS..EExtended strand (participates in β ladder)trans-78.1123.8167.7177.50000108.4P266 G267 M268 K269 L299 A302 L303 V306 V321 I334P266-V319 HydrophobicContact CB-CG2 4.3Å; G267-V319 PolarHBondContact O-N 3.28Å; M268-V319 WeakPolarHBondContact CA-O 3.35Å; K269-V319 PolarHBondContact N-O 2.85Å; L299-V319 HydrophobicContact CD2-CG1 4.25Å; A302-V319 HydrophobicContact CB-CG1 4.08Å; A302-V319 HydrophobicContact CB-CG2 4.08Å; L303-V319 HydrophobicContact CD2-CG2 4.02Å; V306-V319 HydrophobicContact CG2-CG2 4.43Å; V319-V321 HydrophobicContact CG1-CG2 4.43Å; V319-I334 HydrophobicContact CG1-CG2 3.59Å
320N98.6Very high95Very high62 Ų6264.3 Ų64.333%0.33233%0.334SS..EExtended strand (participates in β ladder)trans-95121.6-178.3-57.5-66.4000110.2I334 S335N320-I334 CarbonylContact O-C 3.59Å; N320-I334 WeakPolarHBondContact O-CA 3.47Å; N320-S335 PolarHBondContact N-O 2.9Å; N320-S335 PolarHBondContact O-N 2.74Å
321V98.7Very high95.3Very high2 Ų264.9 Ų64.91%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-114.4120.6177.6-174.30000109.2I247 M268 K269 L270 E271 L299 V319 V323 I332 R333 I334I247-V321 HydrophobicContact CD1-CG1 4.46Å; I247-V321 HydrophobicContact CG2-CG1 4.14Å; M268-V321 HydrophobicContact CG-CG2 3.82Å; M268-V321 HydrophobicContact SD-CB 4.37Å; M268-V321 HydrophobicContact SD-CG2 3.67Å; K269-V321 PolarHBondContact O-N 3.35Å; L270-V321 CarbonylContact C-O 3.56Å; L270-V321 WeakPolarHBondContact CA-O 3.43Å; L270-V321 HydrophobicContact CD1-CB 3.83Å; L270-V321 HydrophobicContact CD1-CG1 3.7Å; E271-V321 PolarHBondContact N-O 3.4Å; L299-V321 HydrophobicContact CD2-CG2 4.03Å; V319-V321 HydrophobicContact CG1-CG2 4.43Å; V321-V323 HydrophobicContact CG1-CG2 4.35Å; V321-I332 HydrophobicContact CG1-CG2 4.12Å; V321-R333 CarbonylContact C-O 3.59Å; V321-R333 VanDerWaalsContact CA-O 3.31Å; V321-R333 WeakPolarHBondContact CA-O 3.12Å; V321-I334 HydrophobicContact CG1-CG1 4.22Å; V321-I334 HydrophobicContact CG2-CG1 4.14Å; V321-I334 HydrophobicContact CG2-CG2 4.41Å
322Q98.3Very high95.8Very high81 Ų8159 Ų5938%0.37931%0.313SS..EExtended strand (participates in β ladder)trans-115.8126.2177.5-174.6174.469.100110.2E271 V324 I332 R333E271-Q322 CarbonylContact O-C 3.47Å; E271-Q322 WeakPolarHBondContact O-CA 3.41Å; Q322-V324 HydrophobicContact CG-CG2 4.13Å; Q322-I332 CarbonylContact O-C 3.59Å; Q322-I332 WeakPolarHBondContact O-CA 3.23Å; Q322-R333 HydrophobicContact CB-CB 4.44Å; Q322-R333 PolarHBondContact N-O 2.76Å; Q322-R333 PolarHBondContact O-N 2.87Å
323V98.5Very high96.3Very high0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-117119.9-180-172.80000109.5V243 L244 I247 L270 E271 S272 K273 I282 V321 L330 S331 I332V243-V323 HydrophobicContact CG1-CG1 3.86Å; L244-V323 HydrophobicContact CD2-CB 4.04Å; L244-V323 HydrophobicContact CD2-CG1 4.32Å; L244-V323 HydrophobicContact CD2-CG2 3.85Å; I247-V323 HydrophobicContact CD1-CG2 3.46Å; I247-V323 VanDerWaalsContact CD1-CG2 3.46Å; L270-V323 HydrophobicContact CD1-CG2 3.94Å; E271-V323 PolarHBondContact O-N 2.98Å; S272-V323 CarbonylContact C-O 3.49Å; S272-V323 VanDerWaalsContact CA-O 3.24Å; S272-V323 WeakPolarHBondContact CA-O 3.38Å; K273-V323 PolarHBondContact N-O 3.46Å; I282-V323 HydrophobicContact CD1-CB 4.13Å; I282-V323 HydrophobicContact CD1-CG1 3.68Å; I282-V323 WeakPolarHBondContact CD1-O 3.36Å; I282-V323 HydrophobicContact CG2-CG1 4.2Å; V321-V323 HydrophobicContact CG1-CG2 4.35Å; V323-L330 HydrophobicContact CG1-CD1 3.88Å; V323-S331 WeakPolarHBondContact CA-O 3.46Å; V323-I332 HydrophobicContact CG1-CG1 4.2Å; V323-I332 HydrophobicContact CG2-CG1 4.35Å; V323-I332 HydrophobicContact CG2-CG2 4.4Å
324V98Very high96.8Very high44 Ų4450.2 Ų50.227%0.26727%0.265SS..EExtended strand (participates in β ladder)trans-123.6123.2179.8-1750000109.7K273 Q322 L330 S331K273-V324 HydrophobicContact CB-CG1 4.49Å; K273-V324 HydrophobicContact CB-CG2 4.37Å; K273-V324 WeakPolarHBondContact O-CA 3.49Å; Q322-V324 HydrophobicContact CG-CG2 4.13Å; V324-L330 WeakPolarHBondContact O-CA 3.07Å; V324-S331 PolarHBondContact N-O 3.32Å; V324-S331 PolarHBondContact O-N 3.49Å
325K97.8Very high97.3Very high30 Ų3043 Ų4313%0.1323%0.227CC..EExtended strand (participates in β ladder)trans-102.1111170.5-175.7179.3176.4-1790109.3K273 D275 I282 T283 I284 L330K273-K325 PolarHBondContact O-N 2.88Å; D275-K325 VanDerWaalsContact CB-O 3.29Å; D275-K325 WeakPolarHBondContact CB-O 3.24Å; D275-K325 PolarHBondContact N-O 3.24Å; I282-K325 HydrophobicContact CD1-CB 4.24Å; I282-K325 HydrophobicContact CG1-CB 4.19Å; I282-K325 HydrophobicContact CG2-CB 3.89Å; I282-K325 HydrophobicContact CG2-CD 4.18Å; T283-K325 PolarHBondContact O-NZ 2.59Å; I284-K325 HydrophobicContact CG2-CD 4.35Å; K325-L330 HydrophobicContact CB-CD1 4.06Å
326G96.2Very high97.6Very high18 Ų1839.4 Ų39.419%0.18620%0.201CC..  trans-93.5-161.4171.900000112.4D329G326-D329 PolarHBondContact N-O 3.06Å
327K95.4Very high97.7Very high150 Ų15040.6 Ų40.665%0.65221%0.207SC*.SBendtrans-71.5-44176.4-64.5-177.9179.8177.90112.6L276L276-K327 HydrophobicContact CD2-CG 4.05Å
328E95.3Very high97.7Very high117 Ų11739.4 Ų39.455%0.54720%0.202SC..SBendtrans-107.8-37.8-173.8-65178.3-165.300112.2A410E328-A410 WeakPolarHBondContact O-CB 3.22Å; E328-A410 PolarHBondContact O-N 3.1Å
329D96.5Very high97.6Very high55 Ų5537 Ų3729%0.29419%0.19SC..EExtended strand (participates in β ladder)trans-118.3142.5-171.4-57.4-42.3000112.4G326 L408 K409G326-D329 PolarHBondContact N-O 3.06Å; D329-L408 WeakPolarHBondContact CA-O 3.07Å; D329-K409 IonicContact OD1-NZ 3.83Å; D329-K409 PolarHBondContact OD1-NZ 3.48Å
330L98.2Very high97.5Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-95.7117.4156.417674.6000107.4V243 I282 I284 V323 V324 K325 L408V243-L330 HydrophobicContact CG1-CD2 4.06Å; V243-L330 HydrophobicContact CG2-CD2 3.73Å; I282-L330 HydrophobicContact CG2-CD1 3.45Å; I282-L330 VanDerWaalsContact CG2-CD1 3.45Å; I284-L330 HydrophobicContact CD1-CD2 3.47Å; I284-L330 VanDerWaalsContact CD1-CD2 3.47Å; I284-L330 HydrophobicContact CG1-CD2 4.02Å; I284-L330 HydrophobicContact CG2-CB 4.45Å; I284-L330 HydrophobicContact CG2-CD2 4.22Å; V323-L330 HydrophobicContact CG1-CD1 3.88Å; V324-L330 WeakPolarHBondContact O-CA 3.07Å; K325-L330 HydrophobicContact CB-CD1 4.06Å; L330-L408 HydrophobicContact CB-CB 4.29Å; L330-L408 HydrophobicContact CD2-CB 4.47Å; L330-L408 HydrophobicContact CD2-CD1 4.16Å; L330-L408 PolarHBondContact N-O 2.93Å; L330-L408 PolarHBondContact O-N 3.3Å
331S98.4Very high97.3Very high34 Ų3436.6 Ų36.624%0.23819%0.194CC..EExtended strand (participates in β ladder)trans-110129.5-179.9-55.90000110V323 V324 V406 Y407V323-S331 WeakPolarHBondContact CA-O 3.46Å; V324-S331 PolarHBondContact N-O 3.32Å; V324-S331 PolarHBondContact O-N 3.49Å; S331-V406 WeakPolarHBondContact CA-O 3.32Å; S331-Y407 WeakPolarHBondContact OG-CD1 3.33Å; S331-Y407 VanDerWaalsContact OG-CE1 3.22Å; S331-Y407 WeakPolarHBondContact OG-CE1 3.43Å
332I98.7Very high97.1Very high1 Ų137.8 Ų37.81%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-120.4127.3173.8-56.1164.4000107.7V243 I247 L291 M295 V321 Q322 V323 I334 Y405 V406V243-I332 HydrophobicContact CG1-CD1 4.24Å; I247-I332 HydrophobicContact CD1-CD1 4.23Å; I247-I332 HydrophobicContact CD1-CG2 4.4Å; L291-I332 HydrophobicContact CD1-CD1 3.85Å; M295-I332 HydrophobicContact CE-CD1 3.97Å; M295-I332 HydrophobicContact CE-CG2 4.25Å; M295-I332 HydrophobicContact SD-CD1 4.12Å; M295-I332 HydrophobicContact SD-CG2 4Å; V321-I332 HydrophobicContact CG1-CG2 4.12Å; Q322-I332 CarbonylContact O-C 3.59Å; Q322-I332 WeakPolarHBondContact O-CA 3.23Å; V323-I332 HydrophobicContact CG1-CG1 4.2Å; V323-I332 HydrophobicContact CG2-CG1 4.35Å; V323-I332 HydrophobicContact CG2-CG2 4.4Å; I332-I334 HydrophobicContact CG2-CG1 4.39Å; I332-Y405 CarbonylContact O-C 3.55Å; I332-Y405 WeakPolarHBondContact O-CA 3.17Å; I332-V406 HydrophobicContact CB-CB 4.26Å; I332-V406 PolarHBondContact N-O 3.28Å; I332-V406 PolarHBondContact O-N 3.5Å
333R98.7Very high96.8Very high86 Ų8639.3 Ų39.333%0.32522%0.221SC..EExtended strand (participates in β ladder)trans-115.9125.4173.2178.4-172167.8178.90.7109.2V321 Q322 S335 D403 A404 Y405V321-R333 CarbonylContact C-O 3.59Å; V321-R333 VanDerWaalsContact CA-O 3.31Å; V321-R333 WeakPolarHBondContact CA-O 3.12Å; Q322-R333 HydrophobicContact CB-CB 4.44Å; Q322-R333 PolarHBondContact N-O 2.76Å; Q322-R333 PolarHBondContact O-N 2.87Å; R333-S335 PolarHBondContact NE-OG 3.14Å; R333-D403 IonicContact CZ-OD1 3.95Å; R333-D403 IonicContact CZ-OD2 2.77Å; R333-D403 IonicContact NE-OD1 2.92Å; R333-D403 PolarHBondContact NE-OD1 3.4Å; R333-D403 VanDerWaalsContact NE-OD1 3.09Å; R333-D403 IonicContact NE-OD2 3.51Å; R333-D403 IonicContact NH2-OD1 3.57Å; R333-D403 PolarHBondContact NH2-OD1 3.23Å; R333-D403 IonicContact NH2-OD2 3.45Å; R333-D403 PolarHBondContact NH2-OD2 2.85Å; R333-A404 CarbonylContact C-O 3.55Å; R333-A404 WeakPolarHBondContact CA-O 3.46Å; R333-Y405 HydrophobicContact CB-CD1 4.18Å; R333-Y405 HydrophobicContact CB-CE1 4.13Å; R333-Y405 HydrophobicContact CG-CD1 4.23Å; R333-Y405 HydrophobicContact CG-CE1 3.84Å
334I98.7Very high96.5Very high4 Ų449 Ų492%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-110.9121.9171.4-59170.3000107.1M295 L298 L299 A302 V319 N320 V321 I332 D403 A404M295-I334 HydrophobicContact CE-CD1 4.48Å; M295-I334 HydrophobicContact SD-CD1 4.12Å; L298-I334 HydrophobicContact CB-CD1 3.59Å; L298-I334 HydrophobicContact CD1-CD1 3.88Å; L298-I334 HydrophobicContact CG-CD1 4.4Å; L299-I334 HydrophobicContact CD2-CD1 4.28Å; L299-I334 HydrophobicContact CD2-CG2 4.22Å; L299-I334 HydrophobicContact CG-CD1 4.23Å; A302-I334 HydrophobicContact CB-CG2 4.31Å; V319-I334 HydrophobicContact CG1-CG2 3.59Å; N320-I334 CarbonylContact O-C 3.59Å; N320-I334 WeakPolarHBondContact O-CA 3.47Å; V321-I334 HydrophobicContact CG1-CG1 4.22Å; V321-I334 HydrophobicContact CG2-CG1 4.14Å; V321-I334 HydrophobicContact CG2-CG2 4.41Å; I332-I334 HydrophobicContact CG2-CG1 4.39Å; I334-D403 CarbonylContact O-C 3.53Å; I334-D403 WeakPolarHBondContact O-CA 3.35Å; I334-A404 HydrophobicContact CB-CB 4.36Å; I334-A404 PolarHBondContact N-O 2.94Å; I334-A404 PolarHBondContact O-N 2.84Å
335S98.6Very high96.2Very high14 Ų1448.7 Ų48.710%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-121124.6-175.4-35.50000109.4N320 R333 S402 D403N320-S335 PolarHBondContact N-O 2.9Å; N320-S335 PolarHBondContact O-N 2.74Å; R333-S335 PolarHBondContact NE-OG 3.14Å; S335-S402 WeakPolarHBondContact CA-O 3.37Å; S335-D403 WeakPolarHBondContact CB-OD1 3.45Å; S335-D403 PolarHBondContact OG-OD1 3.46Å
336D98.1Very high95.9Very high17 Ų1748.3 Ų48.39%0.09125%0.254CS..  trans-115.7160.9176.372.759.2000112.1A302 V306 G338 G401 S402A302-D336 HydrophobicContact CB-CB 4.01Å; V306-D336 HydrophobicContact CG2-CB 3.87Å; D336-G338 PolarHBondContact OD1-N 3.29Å; D336-G401 VanDerWaalsContact O-CA 3.27Å; D336-G401 WeakPolarHBondContact O-CA 3.32Å; D336-S402 PolarHBondContact N-O 2.89Å; D336-S402 PolarHBondContact O-N 2.82Å; D336-S402 PolarHBondContact OD1-N 3.42Å
337N97.4Very high95.5Very high44 Ų4450 Ų5024%0.23527%0.271CS..  trans-112.243.8169.9-70.616.1000110.3Q310 P317 G339 Y400Q310-N337 PolarHBondContact NE2-O 3.02Å; P317-N337 HydrophobicContact CB-CB 4.31Å; P317-N337 HydrophobicContact CG-CB 3.91Å; N337-G339 VanDerWaalsContact C-N 3.32Å; N337-G339 PolarHBondContact O-N 3.37Å; N337-Y400 CarbonylContact C-O 3.41Å; N337-Y400 VanDerWaalsContact C-O 3.26Å; N337-Y400 WeakPolarHBondContact CA-O 3.49Å
338G96.4Very high95.3Very high11 Ų1145.6 Ų45.611%0.11326%0.255CS..SBendtrans-90.526.2-175.300000114.8D336 G340D336-G338 PolarHBondContact OD1-N 3.29Å; G338-G340 PolarHBondContact O-N 3.06Å
339G95.5Very high95.1Very high7 Ų741.4 Ų41.47%0.07224%0.236CC..  trans82.2-13.517500000115.2Y309 N337 G399 Y400Y309-G339 VanDerWaalsContact CD1-CA 3.48Å; N337-G339 VanDerWaalsContact C-N 3.32Å; N337-G339 PolarHBondContact O-N 3.37Å; G339-G399 CarbonylContact O-C 3.56Å; G339-G399 WeakPolarHBondContact O-CA 3.5Å; G339-G399 PolarHBondContact O-N 3.29Å; G339-Y400 PolarHBondContact N-O 3.1Å; G339-Y400 VanDerWaalsContact N-O 3.09Å; G339-Y400 PolarHBondContact O-N 2.9Å
340G95.6Very high94.9Very high23 Ų2339.7 Ų39.724%0.23723%0.226CC..  trans69.9-174.2173.900000114.5G338 S396G338-G340 PolarHBondContact O-N 3.06Å; G340-S396 WeakPolarHBondContact CA-OG 3.11Å
341V94.6Very high94.6Very high30 Ų3041 Ų4118%0.18223%0.233CC..  trans-134.1133.3-172.6-177.40000108.9C343 L345 V346 L349 S396V341-C343 PolarHBondContact O-N 2.81Å; V341-L345 HydrophobicContact CG1-CB 3.8Å; V341-V346 HydrophobicContact CB-CG2 4.31Å; V341-V346 HydrophobicContact CG1-CG2 4.29Å; V341-L349 HydrophobicContact CG1-CD1 4.31Å; V341-L349 HydrophobicContact CG2-CD1 4.25Å; V341-S396 PolarHBondContact N-OG 3.49Å
342P94.8Very high94.1Very high28 Ų2839.4 Ų39.418%0.18222%0.222CC..  trans-52.5134.6174.3-22.627.4000111.6R344 L345 V346 E398P342-R344 HydrophobicContact CB-CG 4.24Å; P342-R344 PolarHBondContact O-N 3.3Å; P342-L345 HydrophobicContact CB-CD1 4.42Å; P342-L345 HydrophobicContact CB-CG 4.43Å; P342-L345 HydrophobicContact CG-CD1 4.08Å; P342-L345 PolarHBondContact O-N 3.28Å; P342-V346 PolarHBondContact O-N 2.71Å; P342-E398 WeakPolarHBondContact CA-OE2 3.48Å; P342-E398 WeakPolarHBondContact CB-OE2 3.41Å; P342-E398 HydrophobicContact CG-CG 4.32Å
343C91.7Very high93.4Very high113 Ų11340.8 Ų40.876%0.76423%0.229SC*.Hα-helixtrans-50.5-38-176.2-179.10000113V341 L345 V346V341-C343 PolarHBondContact O-N 2.81Å; C343-L345 PolarHBondContact O-N 2.88Å; C343-L345 VanDerWaalsContact O-N 3.15Å; C343-V346 PolarHBondContact O-N 3.06Å
344R91.7Very high92.6Very high204 Ų20439.4 Ų39.477%0.7722%0.224SC*.Hα-helixtrans-60.5-22.417774.6-175177.4110.6-1.2114.7P342P342-R344 HydrophobicContact CB-CG 4.24Å; P342-R344 PolarHBondContact O-N 3.3Å
345L92.1Very high91.5Very high37 Ų3742.3 Ų42.319%0.19424%0.242CC..Hα-helixtrans-102.1-16.9-177-59.9-179.9000112.9V341 P342 C343 G347 N348 L349V341-L345 HydrophobicContact CG1-CB 3.8Å; P342-L345 HydrophobicContact CB-CD1 4.42Å; P342-L345 HydrophobicContact CB-CG 4.43Å; P342-L345 HydrophobicContact CG-CD1 4.08Å; P342-L345 PolarHBondContact O-N 3.28Å; C343-L345 PolarHBondContact O-N 2.88Å; C343-L345 VanDerWaalsContact O-N 3.15Å; L345-G347 VanDerWaalsContact C-N 3.28Å; L345-G347 PolarHBondContact O-N 2.91Å; L345-N348 WeakPolarHBondContact O-CA 3.33Å; L345-N348 WeakPolarHBondContact O-CB 3.39Å; L345-N348 PolarHBondContact O-N 2.99Å; L345-L349 PolarHBondContact O-N 3.39Å
346V90.6Very high90.1Very high22 Ų2246.3 Ų46.313%0.13327%0.266CS..Hα-helixtrans-56.9-42.6-176.5175.90000111.6V341 P342 C343 N348 L349 L394V341-V346 HydrophobicContact CB-CG2 4.31Å; V341-V346 HydrophobicContact CG1-CG2 4.29Å; P342-V346 PolarHBondContact O-N 2.71Å; C343-V346 PolarHBondContact O-N 3.06Å; V346-N348 PolarHBondContact O-N 3.39Å; V346-L349 WeakPolarHBondContact O-CB 3.47Å; V346-L349 PolarHBondContact O-N 3.49Å; V346-L394 HydrophobicContact CG1-CB 4.38Å
347G88.3Confident88.6Confident53 Ų5346.4 Ų46.455%0.54627%0.269SS..G310 helixtrans-62.4-28.4175.800000113.6L345L345-G347 VanDerWaalsContact C-N 3.28Å; L345-G347 PolarHBondContact O-N 2.91Å
348N90.6Very high86.6Confident57 Ų5749.2 Ų49.231%0.30529%0.292SS..G310 helixtrans-78.4-19.2-179.6-63.4-22.5000113L345 V346 F350 N351 Y354L345-N348 WeakPolarHBondContact O-CA 3.33Å; L345-N348 WeakPolarHBondContact O-CB 3.39Å; L345-N348 PolarHBondContact O-N 2.99Å; V346-N348 PolarHBondContact O-N 3.39Å; N348-F350 PolarHBondContact O-N 3.18Å; N348-F350 VanDerWaalsContact O-N 3.09Å; N348-N351 VanDerWaalsContact O-CB 3.3Å; N348-N351 WeakPolarHBondContact O-CB 3.48Å; N348-N351 PolarHBondContact O-N 2.78Å; N348-N351 PolarHBondContact OD1-ND2 2.93Å; N348-Y354 HydrophobicContact CB-CD1 4.39Å; N348-Y354 HydrophobicContact CB-CD2 3.65Å; N348-Y354 HydrophobicContact CB-CE2 3.86Å; N348-Y354 HydrophobicContact CB-CG 3.92Å; N348-Y354 WeakPolarHBondContact O-CB 3.35Å; N348-Y354 WeakPolarHBondContact O-CD1 3.41Å
349L91.9Very high84.7Confident29 Ų2955 Ų5515%0.15232%0.32CS..G310 helixtrans-60.2-21.7178.9-63172.5000113.3V341 L345 V346 Y354 L378 L394V341-L349 HydrophobicContact CG1-CD1 4.31Å; V341-L349 HydrophobicContact CG2-CD1 4.25Å; L345-L349 PolarHBondContact O-N 3.39Å; V346-L349 WeakPolarHBondContact O-CB 3.47Å; V346-L349 PolarHBondContact O-N 3.49Å; L349-Y354 HydrophobicContact CD2-CD1 4.27Å; L349-Y354 HydrophobicContact CD2-CE1 3.69Å; L349-L378 HydrophobicContact CB-CD1 4.03Å; L349-L394 HydrophobicContact CB-CD1 4.38Å; L349-L394 HydrophobicContact CD1-CD1 3.66Å
350F93Very high82.3Confident19 Ų1958.7 Ų58.78%0.08334%0.343CS..G310 helixtrans-95.65.1175.6-67.2-74.6000113.8Q179 N348 L378 P379 R382 L392 L394Q179-F350 PolarHBondContact NE2-O 3.23Å; N348-F350 PolarHBondContact O-N 3.18Å; N348-F350 VanDerWaalsContact O-N 3.09Å; F350-L378 HydrophobicContact CD1-CB 4.27Å; F350-L378 HydrophobicContact CE1-CB 4.25Å; F350-P379 WeakPolarHBondContact O-CG 3.38Å; F350-R382 HydrophobicContact CD1-CB 4.18Å; F350-R382 HydrophobicContact CE1-CB 3.99Å; F350-R382 HydrophobicContact CE1-CG 4.43Å; F350-L392 HydrophobicContact CE1-CD2 3.61Å; F350-L392 HydrophobicContact CZ-CD2 3.5Å; F350-L392 VanDerWaalsContact CZ-CD2 3.5Å; F350-L394 HydrophobicContact CE2-CD1 4.3Å; F350-L394 HydrophobicContact CE2-CG 4.15Å; F350-L394 HydrophobicContact CZ-CD1 4.22Å; F350-L394 HydrophobicContact CZ-CG 3.94Å
351N91.6Very high79.5Confident27 Ų2760.9 Ų60.914%0.14435%0.354CS..  trans-85.7131.7176.1-67-21.2000110.6Q179 N348 L353 Y354Q179-N351 VanDerWaalsContact OE1-CA 3.23Å; N348-N351 VanDerWaalsContact O-CB 3.3Å; N348-N351 WeakPolarHBondContact O-CB 3.48Å; N348-N351 PolarHBondContact O-N 2.78Å; N348-N351 PolarHBondContact OD1-ND2 2.93Å; N351-L353 PolarHBondContact O-N 2.91Å; N351-L353 VanDerWaalsContact O-N 3.13Å; N351-Y354 PolarHBondContact O-N 2.96Å
352Y88.2Confident77.2Confident1 Ų165.5 Ų65.50%0.00439%0.385CS..THydrogen-bonded Turntrans-62.4-23.3-178.2-66.9-80000114.2Q179 L182 N183 Y186 Y376 P379 V380 L383Q179-Y352 VanDerWaalsContact NE2-CD2 3.29Å; Q179-Y352 VanDerWaalsContact OE1-CD2 3.25Å; Q179-Y352 VanDerWaalsContact OE1-N 3.07Å; L182-Y352 HydrophobicContact CB-CD2 3.5Å; L182-Y352 HydrophobicContact CB-CE1 4.49Å; L182-Y352 HydrophobicContact CB-CE2 3.29Å; L182-Y352 HydrophobicContact CB-CG 4.24Å; L182-Y352 HydrophobicContact CD1-CD1 4.41Å; L182-Y352 HydrophobicContact CD1-CD2 3.39Å; L182-Y352 HydrophobicContact CD1-CE2 4.12Å; L182-Y352 HydrophobicContact CD1-CG 3.59Å; L182-Y352 HydrophobicContact CG-CD2 4.1Å; L182-Y352 HydrophobicContact CG-CE2 4.36Å; N183-Y352 VanDerWaalsContact OD1-CE2 3.28Å; N183-Y352 WeakPolarHBondContact OD1-CE2 3.29Å; N183-Y352 PolarHBondContact OD1-OH 2.56Å; Y186-Y352 AromaticContact CD2-CE1 3.61Å; Y186-Y352 HydrophobicContact CD2-CE1 3.61Å; Y186-Y352 AromaticContact CD2-CZ 3.69Å; Y186-Y352 HydrophobicContact CE2-CD1 4.08Å; Y186-Y352 AromaticContact CE2-CE1 3.56Å; Y186-Y352 HydrophobicContact CE2-CE1 3.56Å; Y186-Y352 AromaticContact CE2-CZ 3.96Å; Y352-Y376 AromaticContact CD1-CD1 3.5Å; Y352-Y376 HydrophobicContact CD1-CD1 3.5Å; Y352-Y376 VanDerWaalsContact CD1-CD1 3.5Å; Y352-Y376 HydrophobicContact CD1-CD2 4.18Å; Y352-Y376 AromaticContact CD1-CE1 3.43Å; Y352-Y376 HydrophobicContact CD1-CE1 3.43Å; Y352-Y376 VanDerWaalsContact CD1-CE1 3.43Å; Y352-Y376 HydrophobicContact CD1-CE2 4.09Å; Y352-Y376 AromaticContact CD1-CG 3.91Å; Y352-Y376 HydrophobicContact CD1-CG 3.91Å; Y352-Y376 AromaticContact CD1-CZ 3.74Å; Y352-Y376 AromaticContact CE1-CD1 3.92Å; Y352-Y376 HydrophobicContact CE1-CD1 3.92Å; Y352-Y376 HydrophobicContact CE1-CE1 4.04Å; Y352-Y376 HydrophobicContact CG-CE1 4.26Å; Y352-Y376 HydrophobicContact CG-CE2 4.49Å; Y352-Y376 WeakPolarHBondContact O-CE2 3.36Å; Y352-P379 HydrophobicContact CD1-CB 3.9Å; Y352-P379 HydrophobicContact CD1-CG 4.07Å; Y352-P379 HydrophobicContact CE1-CB 3.45Å; Y352-P379 VanDerWaalsContact CE1-CB 3.45Å; Y352-P379 HydrophobicContact CE1-CG 4.13Å; Y352-P379 HydrophobicContact CE2-CB 4.23Å; Y352-P379 HydrophobicContact CG-CB 4.48Å; Y352-V380 HydrophobicContact CE1-CG2 4.3Å; Y352-L383 WeakPolarHBondContact OH-CD1 3.49Å
353L82.8Confident74.5Confident31 Ų3172.2 Ų72.216%0.16241%0.414CS..THydrogen-bonded Turntrans-93.60.8179-68.7172.5000113.6L161 M162 I170 Q175 N351L161-L353 HydrophobicContact CB-CD2 4Å; L161-L353 HydrophobicContact CD1-CD2 4.33Å; M162-L353 HydrophobicContact CE-CD2 3.55Å; I170-L353 HydrophobicContact CD1-CD1 3.48Å; I170-L353 VanDerWaalsContact CD1-CD1 3.48Å; I170-L353 HydrophobicContact CD1-CD2 4.32Å; I170-L353 HydrophobicContact CG2-CD1 4.26Å; Q175-L353 HydrophobicContact CG-CD1 4.37Å; N351-L353 PolarHBondContact O-N 2.91Å; N351-L353 VanDerWaalsContact O-N 3.13Å
354Y81.5Confident72.1Confident56 Ų5673.2 Ų73.222%0.2241%0.411CS..  trans-102119.8-178.4-174.1-88.4000110.3N348 L349 N351 T356N348-Y354 HydrophobicContact CB-CD1 4.39Å; N348-Y354 HydrophobicContact CB-CD2 3.65Å; N348-Y354 HydrophobicContact CB-CE2 3.86Å; N348-Y354 HydrophobicContact CB-CG 3.92Å; N348-Y354 WeakPolarHBondContact O-CB 3.35Å; N348-Y354 WeakPolarHBondContact O-CD1 3.41Å; L349-Y354 HydrophobicContact CD2-CD1 4.27Å; L349-Y354 HydrophobicContact CD2-CE1 3.69Å; N351-Y354 PolarHBondContact O-N 2.96Å; Y354-T356 HydrophobicContact CE1-CG2 4.2Å
355T77.5Confident69.5Low65 Ų6572.3 Ų72.340%0.39942%0.415SS..  trans-146.9144.1171.8-175.70000109.6A357 G373T355-A357 PolarHBondContact OG1-N 2.9Å; T355-G373 PolarHBondContact OG1-O 3.41Å
356T68.1Low67.2Low99 Ų9977.3 Ų77.361%0.60744%0.438SS*.  trans-99.3-0.5172.756.20000112.2Y354Y354-T356 HydrophobicContact CE1-CG2 4.2Å
357A66.3Low64.9Low18 Ų1882.2 Ų82.215%0.14947%0.47CS..SBendtrans-76.4136.7175.600000110.2T355 L359 A372T355-A357 PolarHBondContact OG1-N 2.9Å; A357-L359 PolarHBondContact O-N 3.43Å; A357-A372 HydrophobicContact CB-CB 3.59Å
358S56.7Low62.9Low103 Ų10381.2 Ų81.272%0.7245%0.454SS*.PPolyproline II helixtrans-58131.6157.7380000107.9
359L55.8Low61.1Low132 Ų13281.5 Ų81.569%0.69147%0.465SS*.PPolyproline II helixtrans-54.1134.8167.1-82144000107.6A357 S361A357-L359 PolarHBondContact O-N 3.43Å; L359-S361 PolarHBondContact O-N 3Å; L359-S361 VanDerWaalsContact O-N 3.09Å
360P44.9Very low59.6Low85 Ų8583.1 Ų83.155%0.55248%0.477SS*.PPolyproline II helixtrans-52.5122.9178-22.531.5000109P370P360-P370 HydrophobicContact CG-CG 4.19Å
361S36.7Very low58.2Low69 Ų6982.3 Ų82.348%0.48347%0.474SS..PPolyproline II helixtrans-59.3130.3173.8-52.10000107.9L359 E363 L364L359-S361 PolarHBondContact O-N 3Å; L359-S361 VanDerWaalsContact O-N 3.09Å; S361-E363 PolarHBondContact O-N 3.13Å; S361-L364 PolarHBondContact O-N 2.82Å
362P45.9Very low56.8Low128 Ų12881.9 Ų81.983%0.83147%0.474SS*.THydrogen-bonded Turntrans-55.9-15.8178.2-25.233.4000114.2
363E39.5Very low55.7Low169 Ų16983.7 Ų83.779%0.7949%0.493SS*.THydrogen-bonded Turntrans-86.1-9.3-173.3-62.9176.2175.500114.1S361 H365S361-E363 PolarHBondContact O-N 3.13Å; E363-H365 PolarHBondContact O-N 3.24Å; E363-H365 VanDerWaalsContact O-N 3.11Å
364L40.4Very low55.1Low133 Ų13385.9 Ų85.970%0.69650%0.504SS*.  trans-83.487.8172.4-76.8159.8000109.4S361 E366S361-L364 PolarHBondContact O-N 2.82Å; L364-E366 PolarHBondContact O-N 3.19Å
365H37.6Very low55.1Low186 Ų18684.1 Ų84.186%0.86150%0.503SS*.  trans-62.712.9174.9-80.8-69.4000115.4E363E363-H365 PolarHBondContact O-N 3.24Å; E363-H365 VanDerWaalsContact O-N 3.11Å
366E43.9Very low55.6Low141 Ų14181.7 Ų81.766%0.65949%0.486SS*.  trans-98.6126171.5-75-145.8170.600111.4L364 S368L364-E366 PolarHBondContact O-N 3.19Å; E366-S368 PolarHBondContact O-N 2.85Å
367P40.9Very low56.7Low126 Ų12677.7 Ų77.782%0.81847%0.465SS*.  trans-77.345.117634.8-34.8000110.9A369P367-A369 PolarHBondContact O-N 3.33Å
368S47Very low58Low31 Ų3178 Ų7822%0.21746%0.464CS..  trans-82.5112.2171.9-163.10000108R260 E366 P370R260-S368 PolarHBondContact NE-OG 2.91Å; R260-S368 VanDerWaalsContact NE-OG 3.14Å; E366-S368 PolarHBondContact O-N 2.85Å; S368-P370 VanDerWaalsContact O-N 3.14Å
369A53.6Low59.8Low64 Ų6473.2 Ų73.253%0.52943%0.43SS..  trans-53.6120.1176.100000109.1P367P367-A369 PolarHBondContact O-N 3.33Å
370P60.2Low61.7Low62 Ų6267.7 Ų67.740%0.40340%0.402SS..  trans-68.3144.8-171.728.9-36.1000110.5P360 S368 A372P360-P370 HydrophobicContact CG-CG 4.19Å; S368-P370 VanDerWaalsContact O-N 3.14Å; P370-A372 VanDerWaalsContact CB-O 3.29Å; P370-A372 WeakPolarHBondContact CB-O 3.42Å; P370-A372 WeakPolarHBondContact CG-O 3.44Å; P370-A372 PolarHBondContact O-N 3.41Å; P370-A372 VanDerWaalsContact O-N 3.09Å
371M62.9Low64.1Low3 Ų363.6 Ų63.62%0.01538%0.376CS..SBendtrans-58-23.6176-85.4-67.9-75.200112.6L257 C258 Y261 Y262 K300 L303 R304L257-M371 VanDerWaalsContact C-SD 3.57Å; L257-M371 HydrophobicContact CB-SD 3.65Å; C258-M371 HydrophobicContact CB-CE 3.64Å; C258-M371 HydrophobicContact CB-SD 4.12Å; C258-M371 PolarHBondContact N-SD 2.98Å; C258-M371 VanDerWaalsContact N-SD 3.42Å; Y261-M371 HydrophobicContact CD1-CG 4.49Å; Y261-M371 HydrophobicContact CG-CG 4.14Å; Y262-M371 HydrophobicContact CE2-CB 4.33Å; Y262-M371 HydrophobicContact CE2-CE 4.48Å; Y262-M371 HydrophobicContact CE2-CG 4Å; K300-M371 WeakPolarHBondContact CD-O 3.4Å; K300-M371 HydrophobicContact CD-SD 4.44Å; K300-M371 WeakPolarHBondContact CE-O 3.21Å; K300-M371 HydrophobicContact CG-CE 3.67Å; K300-M371 WeakPolarHBondContact CG-O 3.18Å; K300-M371 HydrophobicContact CG-SD 3.77Å; K300-M371 WeakPolarHBondContact O-CE 3.25Å; L303-M371 HydrophobicContact CB-CE 4.47Å; R304-M371 HydrophobicContact CB-CE 4.19Å
372A61.9Low67Low17 Ų1763.1 Ų63.114%0.1436%0.363CS..SBendtrans-134.7146.3172.500000111A357 P370A357-A372 HydrophobicContact CB-CB 3.59Å; P370-A372 VanDerWaalsContact CB-O 3.29Å; P370-A372 WeakPolarHBondContact CB-O 3.42Å; P370-A372 WeakPolarHBondContact CG-O 3.44Å; P370-A372 PolarHBondContact O-N 3.41Å; P370-A372 VanDerWaalsContact O-N 3.09Å
373G65.6Low69.5Low39 Ų3957.4 Ų57.440%0.40233%0.325SS..  trans-131.8-141.4-17400000112.8T355 G375T355-G373 PolarHBondContact OG1-O 3.41Å; G373-G375 PolarHBondContact O-N 3.01Å
374L71.3Confident72.2Confident78 Ų7850.5 Ų50.541%0.40829%0.292SS..SBendtrans-64.2-1-170.2-61.6170.3000115.9A158 Y376A158-L374 HydrophobicContact CB-CD1 3.89Å; L374-Y376 HydrophobicContact CB-CD2 4.07Å; L374-Y376 WeakPolarHBondContact O-CD2 3.41Å
375G80.8Confident75Confident18 Ų1844.2 Ų44.219%0.18626%0.259CS..SBendtrans87.313.2-177.500000115.1G373G373-G375 PolarHBondContact O-N 3.01Å
376Y88Confident77.8Confident15 Ų1539.3 Ų39.36%0.05923%0.233CC..  trans-94-18.3-172.9-85.6-120000114.9V154 A158 L161 Y186 Y352 L374 L378 P379 V380V154-Y376 HydrophobicContact CG1-CD1 3.42Å; V154-Y376 VanDerWaalsContact CG1-CD1 3.42Å; V154-Y376 HydrophobicContact CG1-CE1 3.95Å; V154-Y376 HydrophobicContact CG1-CG 4.21Å; A158-Y376 VanDerWaalsContact CA-OH 3.31Å; A158-Y376 WeakPolarHBondContact CA-OH 3.29Å; A158-Y376 HydrophobicContact CB-CD2 4.35Å; A158-Y376 HydrophobicContact CB-CE1 4.2Å; A158-Y376 HydrophobicContact CB-CE2 3.63Å; A158-Y376 WeakPolarHBondContact CB-OH 3.45Å; L161-Y376 WeakPolarHBondContact CD1-OH 3.33Å; Y186-Y376 HydrophobicContact CE2-CD1 4.17Å; Y186-Y376 AromaticContact CE2-CE1 3.67Å; Y186-Y376 HydrophobicContact CE2-CE1 3.67Å; Y186-Y376 AromaticContact CZ-CE1 3.74Å; Y186-Y376 WeakPolarHBondContact OH-CE1 3.5Å; Y352-Y376 AromaticContact CD1-CD1 3.5Å; Y352-Y376 HydrophobicContact CD1-CD1 3.5Å; Y352-Y376 VanDerWaalsContact CD1-CD1 3.5Å; Y352-Y376 HydrophobicContact CD1-CD2 4.18Å; Y352-Y376 AromaticContact CD1-CE1 3.43Å; Y352-Y376 HydrophobicContact CD1-CE1 3.43Å; Y352-Y376 VanDerWaalsContact CD1-CE1 3.43Å; Y352-Y376 HydrophobicContact CD1-CE2 4.09Å; Y352-Y376 AromaticContact CD1-CG 3.91Å; Y352-Y376 HydrophobicContact CD1-CG 3.91Å; Y352-Y376 AromaticContact CD1-CZ 3.74Å; Y352-Y376 AromaticContact CE1-CD1 3.92Å; Y352-Y376 HydrophobicContact CE1-CD1 3.92Å; Y352-Y376 HydrophobicContact CE1-CE1 4.04Å; Y352-Y376 HydrophobicContact CG-CE1 4.26Å; Y352-Y376 HydrophobicContact CG-CE2 4.49Å; Y352-Y376 WeakPolarHBondContact O-CE2 3.36Å; L374-Y376 HydrophobicContact CB-CD2 4.07Å; L374-Y376 WeakPolarHBondContact O-CD2 3.41Å; Y376-L378 PolarHBondContact O-N 2.99Å; Y376-P379 WeakPolarHBondContact O-CD 3.5Å; Y376-V380 HydrophobicContact CD1-CG2 4.44Å; Y376-V380 VanDerWaalsContact O-CB 3.31Å; Y376-V380 WeakPolarHBondContact O-CB 3.29Å; Y376-V380 WeakPolarHBondContact O-CG2 3.41Å; Y376-V380 PolarHBondContact O-N 3.27Å
377G90.6Very high80.4Confident15 Ų1532.6 Ų32.616%0.15520%0.202CC..Hα-helixtrans-57.4-52.9-172.500000113.9E297 S381E297-G377 VanDerWaalsContact OE2-CA 3.29Å; E297-G377 WeakPolarHBondContact OE2-CA 3.28Å; G377-S381 VanDerWaalsContact O-CB 3.23Å; G377-S381 WeakPolarHBondContact O-CB 3.37Å; G377-S381 PolarHBondContact O-N 3.2Å; G377-S381 PolarHBondContact O-OG 3.36Å
378L94Very high83Confident24 Ų2426.7 Ų26.713%0.12616%0.163CC..Hα-helixtrans-64.5-50.8179.5-75.1175000113.5L298 L349 F350 Y376 V380 S381 R382 L394L298-L378 HydrophobicContact CD2-CD2 3.55Å; L349-L378 HydrophobicContact CB-CD1 4.03Å; F350-L378 HydrophobicContact CD1-CB 4.27Å; F350-L378 HydrophobicContact CE1-CB 4.25Å; Y376-L378 PolarHBondContact O-N 2.99Å; L378-V380 VanDerWaalsContact C-N 3.34Å; L378-V380 PolarHBondContact O-N 3Å; L378-S381 PolarHBondContact O-N 2.86Å; L378-R382 PolarHBondContact O-N 2.73Å; L378-L394 HydrophobicContact CD1-CD1 4.02Å; L378-L394 HydrophobicContact CD2-CD1 4.34Å
379P95Very high85.4Confident2 Ų229.9 Ų29.91%0.01318%0.175CC..Hα-helixtrans-55.1-47175.3-18.921.4000112.9F350 Y352 Y376 R382 L383F350-P379 WeakPolarHBondContact O-CG 3.38Å; Y352-P379 HydrophobicContact CD1-CB 3.9Å; Y352-P379 HydrophobicContact CD1-CG 4.07Å; Y352-P379 HydrophobicContact CE1-CB 3.45Å; Y352-P379 VanDerWaalsContact CE1-CB 3.45Å; Y352-P379 HydrophobicContact CE1-CG 4.13Å; Y352-P379 HydrophobicContact CE2-CB 4.23Å; Y352-P379 HydrophobicContact CG-CB 4.48Å; Y376-P379 WeakPolarHBondContact O-CD 3.5Å; P379-R382 WeakPolarHBondContact O-CB 3.18Å; P379-R382 PolarHBondContact O-N 2.96Å; P379-L383 WeakPolarHBondContact O-CG 3.42Å; P379-L383 PolarHBondContact O-N 3.09Å; P379-L383 VanDerWaalsContact O-N 3.11Å
380V93.9Very high87.4Confident16 Ų1627.4 Ų27.410%0.09716%0.155CC..Hα-helixtrans-68.8-40.9-177.7174.10000111.4Y352 Y376 L378 R382 L383 Y384Y352-V380 HydrophobicContact CE1-CG2 4.3Å; Y376-V380 HydrophobicContact CD1-CG2 4.44Å; Y376-V380 VanDerWaalsContact O-CB 3.31Å; Y376-V380 WeakPolarHBondContact O-CB 3.29Å; Y376-V380 WeakPolarHBondContact O-CG2 3.41Å; Y376-V380 PolarHBondContact O-N 3.27Å; L378-V380 VanDerWaalsContact C-N 3.34Å; L378-V380 PolarHBondContact O-N 3Å; V380-R382 VanDerWaalsContact C-N 3.27Å; V380-R382 PolarHBondContact O-N 3.44Å; V380-L383 WeakPolarHBondContact O-CB 3.27Å; V380-L383 PolarHBondContact O-N 2.98Å; V380-Y384 HydrophobicContact CG1-CD2 3.82Å; V380-Y384 HydrophobicContact CG1-CE2 3.56Å; V380-Y384 WeakPolarHBondContact O-CD2 3.25Å; V380-Y384 PolarHBondContact O-N 2.9Å
381S96.8Very high89.2Confident0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-57.8-41173.8-65.10000111.8E297 G377 L378 L383 Y384 A385E297-S381 WeakPolarHBondContact CB-OG 3.46Å; G377-S381 VanDerWaalsContact O-CB 3.23Å; G377-S381 WeakPolarHBondContact O-CB 3.37Å; G377-S381 PolarHBondContact O-N 3.2Å; G377-S381 PolarHBondContact O-OG 3.36Å; L378-S381 PolarHBondContact O-N 2.86Å; S381-L383 VanDerWaalsContact C-N 3.34Å; S381-L383 PolarHBondContact O-N 3.48Å; S381-Y384 PolarHBondContact O-N 2.77Å; S381-A385 PolarHBondContact O-N 3.3Å; S381-A385 VanDerWaalsContact O-N 3.08Å
382R97.7Very high90.9Very high59 Ų5926.3 Ų26.322%0.22315%0.146CC..Hα-helixtrans-64.4-37.6174.5-173.2176.3-167.7176.211.4112.6F350 L378 P379 V380 A385 R386 D391 L392F350-R382 HydrophobicContact CD1-CB 4.18Å; F350-R382 HydrophobicContact CE1-CB 3.99Å; F350-R382 HydrophobicContact CE1-CG 4.43Å; L378-R382 PolarHBondContact O-N 2.73Å; P379-R382 WeakPolarHBondContact O-CB 3.18Å; P379-R382 PolarHBondContact O-N 2.96Å; V380-R382 VanDerWaalsContact C-N 3.27Å; V380-R382 PolarHBondContact O-N 3.44Å; R382-A385 PolarHBondContact O-N 3.34Å; R382-R386 HydrophobicContact CG-CG 4.48Å; R382-R386 WeakPolarHBondContact O-CB 3.49Å; R382-R386 VanDerWaalsContact O-CG 3.29Å; R382-R386 WeakPolarHBondContact O-CG 3.37Å; R382-R386 PolarHBondContact O-N 2.78Å; R382-D391 IonicContact CZ-OD1 3.72Å; R382-D391 IonicContact NE-OD1 3.62Å; R382-D391 PolarHBondContact NE-OD1 2.97Å; R382-D391 IonicContact NH2-OD1 2.9Å; R382-D391 IonicContact NH2-OD2 3.29Å; R382-L392 HydrophobicContact CB-CB 4.06Å; R382-L392 WeakPolarHBondContact CD-O 3.29Å; R382-L392 HydrophobicContact CG-CB 4.07Å; R382-L392 PolarHBondContact NE-O 2.91Å
383L97.3Very high92.6Very high7 Ų728.9 Ų28.94%0.03715%0.154CC..Hα-helixtrans-65.5-40.1174.5-64.1-177.9000112.2N183 Y186 L187 I190 Y352 P379 V380 S381 A385 R386 Y387N183-L383 HydrophobicContact CB-CD2 4.17Å; Y186-L383 VanDerWaalsContact CB-CD1 3.43Å; Y186-L383 HydrophobicContact CD2-CD1 4.48Å; Y186-L383 HydrophobicContact CG-CD1 4.45Å; L187-L383 HydrophobicContact CD1-CB 4.35Å; I190-L383 HydrophobicContact CD1-CB 3.89Å; Y352-L383 WeakPolarHBondContact OH-CD1 3.49Å; P379-L383 WeakPolarHBondContact O-CG 3.42Å; P379-L383 PolarHBondContact O-N 3.09Å; P379-L383 VanDerWaalsContact O-N 3.11Å; V380-L383 WeakPolarHBondContact O-CB 3.27Å; V380-L383 PolarHBondContact O-N 2.98Å; S381-L383 VanDerWaalsContact C-N 3.34Å; S381-L383 PolarHBondContact O-N 3.48Å; L383-A385 VanDerWaalsContact C-N 3.35Å; L383-A385 PolarHBondContact O-N 3.09Å; L383-R386 PolarHBondContact O-N 3.19Å; L383-Y387 WeakPolarHBondContact O-CB 3.38Å; L383-Y387 PolarHBondContact O-N 2.89Å
384Y97.2Very high94Very high25 Ų2528.4 Ų28.410%0.09814%0.142CC..Hα-helixtrans-59.6-43.9173.9-82.3-66.3000112.2I190 H290 H293 V380 S381 Y387I190-Y384 HydrophobicContact CD1-CD1 3.93Å; I190-Y384 HydrophobicContact CD1-CD2 4.35Å; I190-Y384 HydrophobicContact CD1-CE1 3.99Å; I190-Y384 HydrophobicContact CD1-CE2 4.42Å; I190-Y384 HydrophobicContact CD1-CG 4.12Å; I190-Y384 HydrophobicContact CG1-CD1 4.24Å; I190-Y384 HydrophobicContact CG1-CE1 3.83Å; I190-Y384 HydrophobicContact CG2-CD1 4.08Å; I190-Y384 HydrophobicContact CG2-CE1 3.96Å; H290-Y384 HydrophobicContact CB-CD1 3.94Å; H290-Y384 AromaticContact CD2-CD1 3.66Å; H290-Y384 AromaticContact CD2-CE1 3.43Å; H290-Y384 VanDerWaalsContact CD2-CE1 3.43Å; H290-Y384 WeakPolarHBondContact CD2-CE1 2.92Å; H290-Y384 AromaticContact CG-CD1 3.55Å; H290-Y384 AromaticContact CG-CE1 3.85Å; H290-Y384 AromaticContact ND1-CD1 3.82Å; H290-Y384 AromaticContact NE2-CD1 4Å; H290-Y384 AromaticContact NE2-CE1 3.62Å; H293-Y384 HydrophobicContact CB-CE2 4.38Å; H293-Y384 AromaticContact CD2-CD2 3.37Å; H293-Y384 WeakPolarHBondContact CD2-CD2 3.49Å; H293-Y384 AromaticContact CD2-CE2 3.35Å; H293-Y384 WeakPolarHBondContact CD2-CE2 3.39Å; H293-Y384 AromaticContact CG-CE2 3.8Å; H293-Y384 AromaticContact NE2-CD2 3.99Å; H293-Y384 AromaticContact NE2-CE2 3.69Å; V380-Y384 HydrophobicContact CG1-CD2 3.82Å; V380-Y384 HydrophobicContact CG1-CE2 3.56Å; V380-Y384 WeakPolarHBondContact O-CD2 3.25Å; V380-Y384 PolarHBondContact O-N 2.9Å; S381-Y384 PolarHBondContact O-N 2.77Å; Y384-Y387 PolarHBondContact O-N 3.05Å
385A97.9Very high95.3Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-62.2-47.8175.700000111.4I294 S381 R382 L383 Y387 G390 L392 V406 L408I294-A385 HydrophobicContact CD1-CB 4.11Å; S381-A385 PolarHBondContact O-N 3.3Å; S381-A385 VanDerWaalsContact O-N 3.08Å; R382-A385 PolarHBondContact O-N 3.34Å; L383-A385 VanDerWaalsContact C-N 3.35Å; L383-A385 PolarHBondContact O-N 3.09Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.79Å; A385-G390 CarbonylContact O-C 3.59Å; A385-G390 WeakPolarHBondContact O-CA 3.22Å; A385-G390 PolarHBondContact O-N 2.86Å; A385-L392 HydrophobicContact CB-CB 4.22Å; A385-V406 HydrophobicContact CB-CG1 4.47Å; A385-L408 HydrophobicContact CB-CD2 4.48Å
386R97.9Very high96Very high83 Ų8328.2 Ų28.231%0.31314%0.142SC..Hα-helixtrans-67.8-26.1-178.6-74.3176.8172.6-157.3-20.2114.7R382 L383 F388 H389 G390 D391 V418R382-R386 HydrophobicContact CG-CG 4.48Å; R382-R386 WeakPolarHBondContact O-CB 3.49Å; R382-R386 VanDerWaalsContact O-CG 3.29Å; R382-R386 WeakPolarHBondContact O-CG 3.37Å; R382-R386 PolarHBondContact O-N 2.78Å; L383-R386 PolarHBondContact O-N 3.19Å; R386-F388 PolarHBondContact O-N 3.05Å; R386-F388 VanDerWaalsContact O-N 3.15Å; R386-H389 PolarHBondContact O-N 3.03Å; R386-G390 WeakPolarHBondContact CA-O 3.44Å; R386-D391 IonicContact CZ-OD1 3.66Å; R386-D391 IonicContact CZ-OD2 3.39Å; R386-D391 IonicContact NE-OD1 3.84Å; R386-D391 PolarHBondContact NE-OD1 3.41Å; R386-D391 IonicContact NE-OD2 3.09Å; R386-D391 IonicContact NH2-OD1 3.83Å; R386-D391 PolarHBondContact NH2-OD1 3.4Å; R386-D391 IonicContact NH2-OD2 2.84Å; R386-D391 PolarHBondContact NH2-OD2 2.73Å; R386-V418 WeakPolarHBondContact O-CG2 3.36Å
387Y97.4Very high96.4Very high0 Ų032.2 Ų32.20%016%0.162CC..Hα-helixtrans-57.4-31-176.9176.5-124.5000112.6L187 I190 S191 M194 L383 Y384 A385 E417 V418L187-Y387 HydrophobicContact CD1-CD2 4.06Å; L187-Y387 HydrophobicContact CD1-CG 4.34Å; I190-Y387 HydrophobicContact CG2-CD1 3.58Å; I190-Y387 HydrophobicContact CG2-CD2 4.23Å; I190-Y387 HydrophobicContact CG2-CE1 3.86Å; I190-Y387 HydrophobicContact CG2-CG 3.77Å; S191-Y387 WeakPolarHBondContact CA-OH 3.45Å; M194-Y387 HydrophobicContact CB-CE1 4.05Å; M194-Y387 WeakPolarHBondContact CB-OH 3.25Å; M194-Y387 HydrophobicContact CG-CE1 4.03Å; M194-Y387 VanDerWaalsContact CG-OH 3.31Å; M194-Y387 WeakPolarHBondContact CG-OH 3.27Å; L383-Y387 WeakPolarHBondContact O-CB 3.38Å; L383-Y387 PolarHBondContact O-N 2.89Å; Y384-Y387 PolarHBondContact O-N 3.05Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.79Å; Y387-E417 HydrophobicContact CE2-CB 3.98Å; Y387-E417 HydrophobicContact CE2-CG 3.68Å; Y387-E417 WeakPolarHBondContact CE2-OE1 3.37Å; Y387-E417 CarbonylContact O-C 3.57Å; Y387-E417 VanDerWaalsContact O-CA 3.27Å; Y387-E417 WeakPolarHBondContact O-CA 3.47Å; Y387-E417 WeakPolarHBondContact OH-CG 3.19Å; Y387-E417 PolarHBondContact OH-OE1 2.87Å; Y387-V418 PolarHBondContact O-N 2.89Å
388F96.8Very high96.7Very high2 Ų238 Ų381%0.00919%0.185CC..THydrogen-bonded Turntrans-115.645.7173.1-70.1-64.6000112.6M32 L35 M194 V287 R386 G390 A415 S416 E417M32-F388 HydrophobicContact CE-CB 3.89Å; M32-F388 HydrophobicContact CE-CD1 3.96Å; M32-F388 HydrophobicContact CE-CD2 3.13Å; M32-F388 HydrophobicContact CE-CE1 4.25Å; M32-F388 HydrophobicContact CE-CE2 3.47Å; M32-F388 VanDerWaalsContact CE-CE2 3.47Å; M32-F388 HydrophobicContact CE-CG 3.39Å; M32-F388 HydrophobicContact CE-CZ 4.03Å; M32-F388 HydrophobicContact CG-CD1 3.88Å; M32-F388 HydrophobicContact CG-CE1 3.83Å; M32-F388 HydrophobicContact CG-CG 4.28Å; M32-F388 HydrophobicContact CG-CZ 4.16Å; L35-F388 HydrophobicContact CD1-CE1 4.48Å; L35-F388 HydrophobicContact CD1-CZ 4.36Å; M194-F388 HydrophobicContact CE-CZ 4.08Å; M194-F388 HydrophobicContact CG-CZ 4.46Å; M194-F388 HydrophobicContact SD-CZ 4.5Å; V287-F388 HydrophobicContact CG2-CE2 4.26Å; R386-F388 PolarHBondContact O-N 3.05Å; R386-F388 VanDerWaalsContact O-N 3.15Å; F388-G390 PolarHBondContact O-N 3.11Å; F388-G390 VanDerWaalsContact O-N 3.11Å; F388-A415 HydrophobicContact CB-CB 4.2Å; F388-A415 WeakPolarHBondContact CD1-O 3.26Å; F388-S416 WeakPolarHBondContact CA-O 3.47Å; F388-E417 HydrophobicContact CE1-CG 3.93Å
389H95.7Very high96.7Very high98 Ų9839.1 Ų39.145%0.45420%0.202SC..THydrogen-bonded Turntrans59.618.5177.8-70.6-70.5000116.4R386 K409 S416 V418R386-H389 PolarHBondContact O-N 3.03Å; H389-K409 HydrophobicContact CB-CG 4.26Å; H389-S416 PolarHBondContact CD2-O 3.06Å; H389-S416 PolarHBondContact NE2-O 3.22Å; H389-V418 VanDerWaalsContact CE1-CG2 3.46Å; H389-V418 WeakPolarHBondContact CE1-CG2 3.49Å; H389-V418 WeakPolarHBondContact ND1-CG2 3.36Å
390G97.3Very high96.8Very high12 Ų1245.4 Ų45.412%0.12423%0.227CC..  trans-80-170.3165.500000113.2A385 R386 F388 Y407A385-G390 CarbonylContact O-C 3.59Å; A385-G390 WeakPolarHBondContact O-CA 3.22Å; A385-G390 PolarHBondContact O-N 2.86Å; R386-G390 WeakPolarHBondContact CA-O 3.44Å; F388-G390 PolarHBondContact O-N 3.11Å; F388-G390 VanDerWaalsContact O-N 3.11Å; G390-Y407 CarbonylContact C-O 3.26Å; G390-Y407 WeakPolarHBondContact CA-O 3.43Å
391D98Very high96.9Very high43 Ų4344.7 Ų44.723%0.2322%0.223CC..EExtended strand (participates in β ladder)trans-153.8165.3164-154.1-6000110.4R382 R386 V406 Y407R382-D391 IonicContact CZ-OD1 3.72Å; R382-D391 IonicContact NE-OD1 3.62Å; R382-D391 PolarHBondContact NE-OD1 2.97Å; R382-D391 IonicContact NH2-OD1 2.9Å; R382-D391 IonicContact NH2-OD2 3.29Å; R386-D391 IonicContact CZ-OD1 3.66Å; R386-D391 IonicContact CZ-OD2 3.39Å; R386-D391 IonicContact NE-OD1 3.84Å; R386-D391 PolarHBondContact NE-OD1 3.41Å; R386-D391 IonicContact NE-OD2 3.09Å; R386-D391 IonicContact NH2-OD1 3.83Å; R386-D391 PolarHBondContact NH2-OD1 3.4Å; R386-D391 IonicContact NH2-OD2 2.84Å; R386-D391 PolarHBondContact NH2-OD2 2.73Å; D391-V406 WeakPolarHBondContact O-CA 3.31Å; D391-Y407 PolarHBondContact N-O 2.74Å; D391-Y407 PolarHBondContact O-N 3.3Å
392L98.2Very high97Very high0 Ų045.7 Ų45.70%023%0.229CC..EExtended strand (participates in β ladder)trans-132.6128.2170.2-175173.7000108.4I294 L298 F350 R382 A385 Y405 V406I294-L392 HydrophobicContact CG2-CD1 3.85Å; L298-L392 HydrophobicContact CD1-CD1 4.05Å; L298-L392 HydrophobicContact CD1-CG 4.48Å; L298-L392 HydrophobicContact CD2-CD1 4.2Å; L298-L392 HydrophobicContact CD2-CD2 4.48Å; L298-L392 HydrophobicContact CG-CD1 4.36Å; F350-L392 HydrophobicContact CE1-CD2 3.61Å; F350-L392 HydrophobicContact CZ-CD2 3.5Å; F350-L392 VanDerWaalsContact CZ-CD2 3.5Å; R382-L392 HydrophobicContact CB-CB 4.06Å; R382-L392 WeakPolarHBondContact CD-O 3.29Å; R382-L392 HydrophobicContact CG-CB 4.07Å; R382-L392 PolarHBondContact NE-O 2.91Å; A385-L392 HydrophobicContact CB-CB 4.22Å; L392-Y405 VanDerWaalsContact CA-O 3.25Å; L392-Y405 WeakPolarHBondContact CA-O 3.45Å; L392-V406 HydrophobicContact CD1-CG2 4.21Å; L392-V406 HydrophobicContact CG-CG2 4.01Å
393F96.6Very high97Very high70 Ų7043.7 Ų43.731%0.30722%0.223SC..EExtended strand (participates in β ladder)trans-140.9163.7171.663-96000111.8V395 Y405 Y407F393-V395 HydrophobicContact CD2-CG2 4.24Å; F393-V395 HydrophobicContact CE2-CG2 4.19Å; F393-Y405 AromaticContact CD2-CD2 3.93Å; F393-Y405 HydrophobicContact CD2-CD2 3.93Å; F393-Y405 HydrophobicContact CD2-CG 4.38Å; F393-Y405 AromaticContact CE2-CD2 3.36Å; F393-Y405 HydrophobicContact CE2-CD2 3.36Å; F393-Y405 HydrophobicContact CE2-CE2 4.12Å; F393-Y405 AromaticContact CE2-CG 3.67Å; F393-Y405 HydrophobicContact CE2-CG 3.67Å; F393-Y405 HydrophobicContact CZ-CD2 4.02Å; F393-Y405 AromaticContact CZ-CG 3.82Å; F393-Y405 HydrophobicContact CZ-CG 3.82Å; F393-Y405 PolarHBondContact N-O 3.38Å; F393-Y405 PolarHBondContact O-N 2.97Å; F393-Y407 HydrophobicContact CD1-CD2 4.47Å; F393-Y407 HydrophobicContact CD1-CE2 4.28Å; F393-Y407 AromaticContact CE1-CD2 3.78Å; F393-Y407 HydrophobicContact CE1-CD2 3.78Å; F393-Y407 AromaticContact CE1-CE2 3.25Å; F393-Y407 HydrophobicContact CE1-CE2 3.25Å; F393-Y407 AromaticContact CZ-CE2 3.59Å; F393-Y407 HydrophobicContact CZ-CE2 3.59Å
394L96.5Very high97.1Very high29 Ų2943.8 Ų43.815%0.15223%0.225CC..EExtended strand (participates in β ladder)trans-119.6140.7-179.6-61.1178.2000109.6V346 L349 F350 L378 D403 A404V346-L394 HydrophobicContact CG1-CB 4.38Å; L349-L394 HydrophobicContact CB-CD1 4.38Å; L349-L394 HydrophobicContact CD1-CD1 3.66Å; F350-L394 HydrophobicContact CE2-CD1 4.3Å; F350-L394 HydrophobicContact CE2-CG 4.15Å; F350-L394 HydrophobicContact CZ-CD1 4.22Å; F350-L394 HydrophobicContact CZ-CG 3.94Å; L378-L394 HydrophobicContact CD1-CD1 4.02Å; L378-L394 HydrophobicContact CD2-CD1 4.34Å; L394-D403 CarbonylContact C-O 3.57Å; L394-D403 WeakPolarHBondContact CA-O 3.48Å; L394-A404 HydrophobicContact CD2-CB 3.28Å
395V96.6Very high97.1Very high69 Ų6945.1 Ų45.142%0.41823%0.23SC..EExtended strand (participates in β ladder)trans-120.9131.7165.3-179.40000106.5F393 D403 Y405F393-V395 HydrophobicContact CD2-CG2 4.24Å; F393-V395 HydrophobicContact CE2-CG2 4.19Å; V395-D403 PolarHBondContact N-O 2.96Å; V395-D403 PolarHBondContact O-N 2.85Å; V395-Y405 HydrophobicContact CB-CE2 4.39Å; V395-Y405 HydrophobicContact CG2-CD2 4.44Å; V395-Y405 HydrophobicContact CG2-CE2 4.09Å
396S96.5Very high97.2Very high23 Ų2345.1 Ų45.116%0.16123%0.23CC..EExtended strand (participates in β ladder)trans-133.8142.9-176.7-1620000111.3G340 V341 G401 S402G340-S396 WeakPolarHBondContact CA-OG 3.11Å; V341-S396 PolarHBondContact N-OG 3.49Å; S396-G401 PolarHBondContact OG-O 2.93Å; S396-S402 PolarHBondContact OG-OG 3.26Å
397M96.4Very high97.2Very high100 Ų10044.8 Ų44.849%0.49323%0.23SC..EExtended strand (participates in β ladder)trans-117.7102.4176.6-65.7-178.9-75.100107.7G399 Y400 G401M397-G399 PolarHBondContact O-N 2.94Å; M397-Y400 HydrophobicContact CE-CD1 3.72Å; M397-Y400 HydrophobicContact CE-CE1 4.09Å; M397-Y400 PolarHBondContact O-N 2.86Å; M397-G401 PolarHBondContact N-O 3.26Å; M397-G401 PolarHBondContact O-N 3.33Å; M397-G401 VanDerWaalsContact O-N 3.09Å
398E96.2Very high97.2Very high137 Ų13744.9 Ų44.964%0.6423%0.23SC*.THydrogen-bonded Turntrans-55.1131.1178.7-175.6178.7-172.800111.1P342 Y400P342-E398 WeakPolarHBondContact CA-OE2 3.48Å; P342-E398 WeakPolarHBondContact CB-OE2 3.41Å; P342-E398 HydrophobicContact CG-CG 4.32Å; E398-Y400 VanDerWaalsContact C-N 3.34Å
399G94.9Very high97.3Very high47 Ų4746.9 Ų46.949%0.48524%0.239SC..THydrogen-bonded Turntrans88.4-10.7-173.600000114.8Y309 G339 M397Y309-G399 PolarHBondContact OH-O 3.45Å; G339-G399 CarbonylContact O-C 3.56Å; G339-G399 WeakPolarHBondContact O-CA 3.5Å; G339-G399 PolarHBondContact O-N 3.29Å; M397-G399 PolarHBondContact O-N 2.94Å
400Y96.1Very high97.3Very high134 Ų13442.8 Ų42.853%0.52522%0.222SC..THydrogen-bonded Turntrans-119.8-67.9-176.7-174.2-97.7000112.6N337 G339 M397 E398N337-Y400 CarbonylContact C-O 3.41Å; N337-Y400 VanDerWaalsContact C-O 3.26Å; N337-Y400 WeakPolarHBondContact CA-O 3.49Å; G339-Y400 PolarHBondContact N-O 3.1Å; G339-Y400 VanDerWaalsContact N-O 3.09Å; G339-Y400 PolarHBondContact O-N 2.9Å; M397-Y400 HydrophobicContact CE-CD1 3.72Å; M397-Y400 HydrophobicContact CE-CE1 4.09Å; M397-Y400 PolarHBondContact O-N 2.86Å; E398-Y400 VanDerWaalsContact C-N 3.34Å
401G97.2Very high97.1Very high1 Ų145.9 Ų45.91%0.0124%0.235CC..EExtended strand (participates in β ladder)trans172.3-177.1-168.800000114D336 S396 M397D336-G401 VanDerWaalsContact O-CA 3.27Å; D336-G401 WeakPolarHBondContact O-CA 3.32Å; S396-G401 PolarHBondContact OG-O 2.93Å; M397-G401 PolarHBondContact N-O 3.26Å; M397-G401 PolarHBondContact O-N 3.33Å; M397-G401 VanDerWaalsContact O-N 3.09Å
402S98.1Very high96.8Very high20 Ų2044.3 Ų44.314%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-130.3146.1-179.5-51.40000112.8S335 D336 S396S335-S402 WeakPolarHBondContact CA-O 3.37Å; D336-S402 PolarHBondContact N-O 2.89Å; D336-S402 PolarHBondContact O-N 2.82Å; D336-S402 PolarHBondContact OD1-N 3.42Å; S396-S402 PolarHBondContact OG-OG 3.26Å
403D98.2Very high96.5Very high17 Ų1748.5 Ų48.59%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-110.1122.7169.2-69.8-42.9000109.6R333 I334 S335 L394 V395 Y405R333-D403 IonicContact CZ-OD1 3.95Å; R333-D403 IonicContact CZ-OD2 2.77Å; R333-D403 IonicContact NE-OD1 2.92Å; R333-D403 PolarHBondContact NE-OD1 3.4Å; R333-D403 VanDerWaalsContact NE-OD1 3.09Å; R333-D403 IonicContact NE-OD2 3.51Å; R333-D403 IonicContact NH2-OD1 3.57Å; R333-D403 PolarHBondContact NH2-OD1 3.23Å; R333-D403 IonicContact NH2-OD2 3.45Å; R333-D403 PolarHBondContact NH2-OD2 2.85Å; I334-D403 CarbonylContact O-C 3.53Å; I334-D403 WeakPolarHBondContact O-CA 3.35Å; S335-D403 WeakPolarHBondContact CB-OD1 3.45Å; S335-D403 PolarHBondContact OG-OD1 3.46Å; L394-D403 CarbonylContact C-O 3.57Å; L394-D403 WeakPolarHBondContact CA-O 3.48Å; V395-D403 PolarHBondContact N-O 2.96Å; V395-D403 PolarHBondContact O-N 2.85Å; D403-Y405 HydrophobicContact CB-CD2 4.3Å; D403-Y405 HydrophobicContact CB-CE2 3.57Å
404A98.5Very high96.4Very high9 Ų948.7 Ų48.77%0.07426%0.256CS..EExtended strand (participates in β ladder)trans-101.9124.9168.900000110.5L298 R333 I334 L394L298-A404 HydrophobicContact CD1-CB 4.14Å; L298-A404 HydrophobicContact CD2-CB 3.95Å; R333-A404 CarbonylContact C-O 3.55Å; R333-A404 WeakPolarHBondContact CA-O 3.46Å; I334-A404 HydrophobicContact CB-CB 4.36Å; I334-A404 PolarHBondContact N-O 2.94Å; I334-A404 PolarHBondContact O-N 2.84Å; L394-A404 HydrophobicContact CD2-CB 3.28Å
405Y98.6Very high96.3Very high53 Ų5347.4 Ų47.421%0.20825%0.249CC..EExtended strand (participates in β ladder)trans-108.9128.9177.6-64.9-92.6000110.1I332 R333 L392 F393 V395 D403I332-Y405 CarbonylContact O-C 3.55Å; I332-Y405 WeakPolarHBondContact O-CA 3.17Å; R333-Y405 HydrophobicContact CB-CD1 4.18Å; R333-Y405 HydrophobicContact CB-CE1 4.13Å; R333-Y405 HydrophobicContact CG-CD1 4.23Å; R333-Y405 HydrophobicContact CG-CE1 3.84Å; L392-Y405 VanDerWaalsContact CA-O 3.25Å; L392-Y405 WeakPolarHBondContact CA-O 3.45Å; F393-Y405 AromaticContact CD2-CD2 3.93Å; F393-Y405 HydrophobicContact CD2-CD2 3.93Å; F393-Y405 HydrophobicContact CD2-CG 4.38Å; F393-Y405 AromaticContact CE2-CD2 3.36Å; F393-Y405 HydrophobicContact CE2-CD2 3.36Å; F393-Y405 HydrophobicContact CE2-CE2 4.12Å; F393-Y405 AromaticContact CE2-CG 3.67Å; F393-Y405 HydrophobicContact CE2-CG 3.67Å; F393-Y405 HydrophobicContact CZ-CD2 4.02Å; F393-Y405 AromaticContact CZ-CG 3.82Å; F393-Y405 HydrophobicContact CZ-CG 3.82Å; F393-Y405 PolarHBondContact N-O 3.38Å; F393-Y405 PolarHBondContact O-N 2.97Å; V395-Y405 HydrophobicContact CB-CE2 4.39Å; V395-Y405 HydrophobicContact CG2-CD2 4.44Å; V395-Y405 HydrophobicContact CG2-CE2 4.09Å; D403-Y405 HydrophobicContact CB-CD2 4.3Å; D403-Y405 HydrophobicContact CB-CE2 3.57Å
406V98.7Very high96.1Very high1 Ų146 Ų461%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-119.3123.5172-178.40000108.4I294 M295 L298 S331 I332 A385 D391 L392 L408I294-V406 HydrophobicContact CG2-CG1 4.24Å; I294-V406 HydrophobicContact CG2-CG2 3.76Å; M295-V406 HydrophobicContact CE-CB 4.25Å; M295-V406 HydrophobicContact CE-CG1 4.39Å; M295-V406 HydrophobicContact CE-CG2 3.79Å; L298-V406 HydrophobicContact CD1-CG2 3.51Å; S331-V406 WeakPolarHBondContact CA-O 3.32Å; I332-V406 HydrophobicContact CB-CB 4.26Å; I332-V406 PolarHBondContact N-O 3.28Å; I332-V406 PolarHBondContact O-N 3.5Å; A385-V406 HydrophobicContact CB-CG1 4.47Å; D391-V406 WeakPolarHBondContact O-CA 3.31Å; L392-V406 HydrophobicContact CD1-CG2 4.21Å; L392-V406 HydrophobicContact CG-CG2 4.01Å; V406-L408 HydrophobicContact CG1-CD2 4.29Å; V406-L408 HydrophobicContact CG1-CG 4.22Å
407Y98.5Very high95.9Very high75 Ų7545.1 Ų45.129%0.29424%0.236SC..EExtended strand (participates in β ladder)trans-110.2131.5174.2-69-86.7000109.2S331 G390 D391 F393S331-Y407 WeakPolarHBondContact OG-CD1 3.33Å; S331-Y407 VanDerWaalsContact OG-CE1 3.22Å; S331-Y407 WeakPolarHBondContact OG-CE1 3.43Å; G390-Y407 CarbonylContact C-O 3.26Å; G390-Y407 WeakPolarHBondContact CA-O 3.43Å; D391-Y407 PolarHBondContact N-O 2.74Å; D391-Y407 PolarHBondContact O-N 3.3Å; F393-Y407 HydrophobicContact CD1-CD2 4.47Å; F393-Y407 HydrophobicContact CD1-CE2 4.28Å; F393-Y407 AromaticContact CE1-CD2 3.78Å; F393-Y407 HydrophobicContact CE1-CD2 3.78Å; F393-Y407 AromaticContact CE1-CE2 3.25Å; F393-Y407 HydrophobicContact CE1-CE2 3.25Å; F393-Y407 AromaticContact CZ-CE2 3.59Å; F393-Y407 HydrophobicContact CZ-CE2 3.59Å
408L98.3Very high95.9Very high2 Ų242.8 Ų42.81%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-129.3153173.6-59.1180000109I284 Y286 L291 D329 L330 A385 V406 A410I284-L408 HydrophobicContact CD1-CD1 4.35Å; Y286-L408 HydrophobicContact CD1-CD1 4.39Å; Y286-L408 HydrophobicContact CD2-CD1 4.31Å; Y286-L408 HydrophobicContact CE1-CD1 3.98Å; Y286-L408 HydrophobicContact CE1-CD2 4.5Å; Y286-L408 HydrophobicContact CE2-CB 4.35Å; Y286-L408 HydrophobicContact CE2-CD1 3.9Å; Y286-L408 HydrophobicContact CE2-CD2 3.87Å; Y286-L408 HydrophobicContact CE2-CG 4.27Å; Y286-L408 WeakPolarHBondContact OH-CD2 3.38Å; L291-L408 HydrophobicContact CD1-CD1 4.11Å; D329-L408 WeakPolarHBondContact CA-O 3.07Å; L330-L408 HydrophobicContact CB-CB 4.29Å; L330-L408 HydrophobicContact CD2-CB 4.47Å; L330-L408 HydrophobicContact CD2-CD1 4.16Å; L330-L408 PolarHBondContact N-O 2.93Å; L330-L408 PolarHBondContact O-N 3.3Å; A385-L408 HydrophobicContact CB-CD2 4.48Å; V406-L408 HydrophobicContact CG1-CD2 4.29Å; V406-L408 HydrophobicContact CG1-CG 4.22Å; L408-A410 PolarHBondContact O-N 3.28Å
409K97.5Very high95.6Very high45 Ų4537.7 Ų37.720%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-71.4128173.2-67.8-58.8-177.5-1750111.1D329 H389 L411 E414 A415D329-K409 IonicContact OD1-NZ 3.83Å; D329-K409 PolarHBondContact OD1-NZ 3.48Å; H389-K409 HydrophobicContact CB-CG 4.26Å; K409-L411 VanDerWaalsContact C-N 3.31Å; K409-E414 HydrophobicContact CB-CB 4.46Å; K409-E414 HydrophobicContact CD-CB 4.25Å; K409-E414 HydrophobicContact CG-CB 4.27Å; K409-A415 HydrophobicContact CB-CB 4.06Å
410A95.4Very high95.5Very high12 Ų1235.9 Ų35.910%0.09918%0.183CC..SBendtrans-73.2-27.1176.500000111.9E328 L408E328-A410 WeakPolarHBondContact O-CB 3.22Å; E328-A410 PolarHBondContact O-N 3.1Å; L408-A410 PolarHBondContact O-N 3.28Å
411L94Very high95.2Very high77 Ų7730.7 Ų30.740%0.40317%0.168SC..SBendtrans-104.6126.5-178.9-58.5179.1000111.5K409 V413 E414 A415K409-L411 VanDerWaalsContact C-N 3.31Å; L411-V413 HydrophobicContact CB-CG2 4.15Å; L411-V413 PolarHBondContact O-N 3.1Å; L411-E414 HydrophobicContact CB-CG 4.24Å; L411-E414 PolarHBondContact O-N 3.47Å; L411-E414 VanDerWaalsContact O-N 3.12Å; L411-A415 PolarHBondContact O-N 3.23Å
412A92.1Very high94.9Very high10 Ų1033.5 Ų33.58%0.08318%0.179CC..THydrogen-bonded Turntrans-61.6-28-178.800000114.2M32 Q33 V285 E414 A415M32-A412 HydrophobicContact CB-CB 4.16Å; Q33-A412 HydrophobicContact CB-CB 4.3Å; Q33-A412 PolarHBondContact N-O 3.34Å; V285-A412 HydrophobicContact CB-CB 3.84Å; V285-A412 HydrophobicContact CG1-CB 3.73Å; V285-A412 HydrophobicContact CG2-CB 4.06Å; A412-E414 VanDerWaalsContact C-N 3.32Å; A412-A415 PolarHBondContact O-N 3.42Å
413V92.6Very high94.5Very high88 Ų8834.5 Ų34.553%0.53319%0.186SC..THydrogen-bonded Turntrans-70.8-27.4178.6-67.30000112.6Q33 L411Q33-V413 HydrophobicContact CB-CG1 3.8Å; Q33-V413 HydrophobicContact CG-CG1 3.76Å; L411-V413 HydrophobicContact CB-CG2 4.15Å; L411-V413 PolarHBondContact O-N 3.1Å
414E93Very high94Very high74 Ų7437.4 Ų37.435%0.34621%0.212SC..THydrogen-bonded Turntrans-90.2-20178.1-59.7-176174.600112.1K409 L411 A412 S416K409-E414 HydrophobicContact CB-CB 4.46Å; K409-E414 HydrophobicContact CD-CB 4.25Å; K409-E414 HydrophobicContact CG-CB 4.27Å; L411-E414 HydrophobicContact CB-CG 4.24Å; L411-E414 PolarHBondContact O-N 3.47Å; L411-E414 VanDerWaalsContact O-N 3.12Å; A412-E414 VanDerWaalsContact C-N 3.32Å; E414-S416 PolarHBondContact O-N 3.26Å
415A94.1Very high93.3Very high2 Ų243.8 Ų43.82%0.01724%0.242CC..  trans-75.870.1177.200000111.5S31 M32 F388 K409 L411 A412S31-A415 CarbonylContact C-O 3.48Å; S31-A415 WeakPolarHBondContact CA-O 3.4Å; M32-A415 HydrophobicContact CB-CB 4.09Å; M32-A415 HydrophobicContact CE-CB 4.4Å; M32-A415 HydrophobicContact CG-CB 3.7Å; M32-A415 PolarHBondContact N-O 3.14Å; M32-A415 HydrophobicContact SD-CB 3.81Å; F388-A415 HydrophobicContact CB-CB 4.2Å; F388-A415 WeakPolarHBondContact CD1-O 3.26Å; K409-A415 HydrophobicContact CB-CB 4.06Å; L411-A415 PolarHBondContact O-N 3.23Å; A412-A415 PolarHBondContact O-N 3.42Å
416S93.2Very high92.7Very high38 Ų3841.4 Ų41.427%0.26623%0.234SC..BIsolated β-bridgetrans-88.5146175.3-63.50000113.7F388 H389 E414 V418F388-S416 WeakPolarHBondContact CA-O 3.47Å; H389-S416 PolarHBondContact CD2-O 3.06Å; H389-S416 PolarHBondContact NE2-O 3.22Å; E414-S416 PolarHBondContact O-N 3.26Å; S416-V418 PolarHBondContact O-N 2.74Å
417E93.2Very high92.1Very high6 Ų646 Ų463%0.02825%0.254CS..  trans-59.3127175-74.3-173.893.100111.5A29 L30 R88 S191 Y387 F388 I419A29-E417 HydrophobicContact CB-CB 4.12Å; A29-E417 WeakPolarHBondContact CB-O 3.48Å; L30-E417 WeakPolarHBondContact CB-OE2 3.47Å; L30-E417 PolarHBondContact N-OE2 2.94Å; L30-E417 VanDerWaalsContact O-CG 3.3Å; L30-E417 WeakPolarHBondContact O-CG 3.49Å; L30-E417 PolarHBondContact O-N 2.87Å; R88-E417 IonicContact CZ-OE1 3.22Å; R88-E417 IonicContact CZ-OE2 3.68Å; R88-E417 IonicContact NH1-OE1 2.73Å; R88-E417 PolarHBondContact NH1-OE1 3.44Å; R88-E417 IonicContact NH1-OE2 3.02Å; R88-E417 IonicContact NH2-OE1 3.6Å; R88-E417 PolarHBondContact NH2-OE1 3.27Å; R88-E417 IonicContact NH2-OE2 3.37Å; R88-E417 PolarHBondContact NH2-OE2 2.89Å; S191-E417 PolarHBondContact OG-OE1 3.16Å; Y387-E417 HydrophobicContact CE2-CB 3.98Å; Y387-E417 HydrophobicContact CE2-CG 3.68Å; Y387-E417 WeakPolarHBondContact CE2-OE1 3.37Å; Y387-E417 CarbonylContact O-C 3.57Å; Y387-E417 VanDerWaalsContact O-CA 3.27Å; Y387-E417 WeakPolarHBondContact O-CA 3.47Å; Y387-E417 WeakPolarHBondContact OH-CG 3.19Å; Y387-E417 PolarHBondContact OH-OE1 2.87Å; F388-E417 HydrophobicContact CE1-CG 3.93Å; E417-I419 HydrophobicContact CB-CD1 3.88Å; E417-I419 HydrophobicContact CB-CG1 3.73Å; E417-I419 HydrophobicContact CG-CD1 4.46Å
418V94.7Very high91.4Very high50 Ų5049.9 Ų49.930%0.30327%0.272SS..  trans-92.7108165-177.30000108.2L187 R386 Y387 H389 S416L187-V418 HydrophobicContact CD2-CB 4.41Å; L187-V418 HydrophobicContact CD2-CG1 4.03Å; L187-V418 WeakPolarHBondContact CD2-O 3.41Å; L187-V418 VanDerWaalsContact CG-O 3.29Å; L187-V418 WeakPolarHBondContact CG-O 2.99Å; R386-V418 WeakPolarHBondContact O-CG2 3.36Å; Y387-V418 PolarHBondContact O-N 2.89Å; H389-V418 VanDerWaalsContact CE1-CG2 3.46Å; H389-V418 WeakPolarHBondContact CE1-CG2 3.49Å; H389-V418 WeakPolarHBondContact ND1-CG2 3.36Å; S416-V418 PolarHBondContact O-N 2.74Å
419I91Very high90.7Very high31 Ų3153.7 Ų53.716%0.15929%0.29CS..  trans-121.2130.7-176.2-45.5176000109.7P27 A29 R88 E417 A421P27-I419 HydrophobicContact CB-CB 4.3Å; P27-I419 HydrophobicContact CB-CD1 4.2Å; P27-I419 HydrophobicContact CB-CG2 3.73Å; P27-I419 HydrophobicContact CG-CG2 3.98Å; A29-I419 HydrophobicContact CB-CD1 4.27Å; R88-I419 VanDerWaalsContact CZ-CD1 3.49Å; R88-I419 VanDerWaalsContact NH2-CD1 3.26Å; E417-I419 HydrophobicContact CB-CD1 3.88Å; E417-I419 HydrophobicContact CB-CG1 3.73Å; E417-I419 HydrophobicContact CG-CD1 4.46Å; I419-A421 PolarHBondContact O-N 2.93Å
420P92Very high89.8Confident8 Ų852.2 Ų52.25%0.05228%0.284CS..  trans-72.2131.1173.629.6-31.5000110.6R184 S188R184-P420 HydrophobicContact CB-CB 3.84Å; R184-P420 HydrophobicContact CB-CG 3.98Å; R184-P420 HydrophobicContact CG-CB 3.96Å; R184-P420 WeakPolarHBondContact O-CG 3.49Å; S188-P420 WeakPolarHBondContact OG-CG 3.37Å
421A90.4Very high88.9Confident26 Ų2656.7 Ų56.722%0.21531%0.306CS..  trans-106.1131.6170.900000110.6R26 R184 I419 S423R26-A421 HydrophobicContact CG-CB 4.41Å; R184-A421 VanDerWaalsContact NH2-C 3.34Å; R184-A421 PolarHBondContact NH2-O 3.43Å; I419-A421 PolarHBondContact O-N 2.93Å; A421-S423 PolarHBondContact O-N 2.92Å
422Y90.6Very high87.9Confident59 Ų5955.9 Ų55.923%0.23131%0.305CS..  trans-63.6130.2171175.7-107.7000109.3A23 N91 K94 E95 L98A23-Y422 HydrophobicContact CB-CD1 4.46Å; N91-Y422 VanDerWaalsContact OD1-CB 3.28Å; N91-Y422 WeakPolarHBondContact OD1-CB 3.21Å; N91-Y422 PolarHBondContact OD1-N 3.17Å; K94-Y422 HydrophobicContact CB-CD1 3.92Å; K94-Y422 HydrophobicContact CB-CD2 3.82Å; K94-Y422 HydrophobicContact CB-CE1 4.05Å; K94-Y422 HydrophobicContact CB-CE2 3.96Å; K94-Y422 HydrophobicContact CB-CG 3.8Å; K94-Y422 HydrophobicContact CG-CD1 4.11Å; K94-Y422 HydrophobicContact CG-CE1 4.11Å; K94-Y422 HydrophobicContact CG-CG 4.47Å; E95-Y422 HydrophobicContact CG-CD2 3.87Å; L98-Y422 HydrophobicContact CD1-CE2 3.83Å
423S89.4Confident86.7Confident42 Ų4260.9 Ų60.929%0.29433%0.334SS..  trans-158164.8-175.663.60000111.7A421 M425 S426 K427A421-S423 PolarHBondContact O-N 2.92Å; S423-M425 PolarHBondContact O-N 2.78Å; S423-M425 VanDerWaalsContact O-N 3.13Å; S423-M425 PolarHBondContact OG-N 2.87Å; S423-S426 PolarHBondContact N-OG 2.83Å; S423-S426 PolarHBondContact O-N 2.84Å; S423-S426 VanDerWaalsContact O-N 3.08Å; S423-S426 PolarHBondContact O-OG 2.81Å; S423-S426 PolarHBondContact OG-N 2.83Å; S423-K427 PolarHBondContact O-N 3.47Å
424A87.4Confident85.4Confident78 Ų7862 Ų6265%0.64533%0.334SS*.Hα-helixtrans-54.6-31.5171.800000112.5K428A424-K428 WeakPolarHBondContact O-CG 3.35Å; A424-K428 PolarHBondContact O-N 2.88Å; A424-K428 VanDerWaalsContact O-N 3.12Å
425M85.6Confident83.9Confident142 Ų14267.3 Ų67.370%0.736%0.356SS*.Hα-helixtrans-69.5-46.9176-169.3176.8-163.300111.8S423 K427 K428 M429S423-M425 PolarHBondContact O-N 2.78Å; S423-M425 VanDerWaalsContact O-N 3.13Å; S423-M425 PolarHBondContact OG-N 2.87Å; M425-K427 VanDerWaalsContact C-N 3.28Å; M425-K427 PolarHBondContact O-N 2.82Å; M425-K428 WeakPolarHBondContact O-CB 3.33Å; M425-K428 PolarHBondContact O-N 2.82Å; M425-K428 VanDerWaalsContact O-N 3.13Å; M425-M429 WeakPolarHBondContact O-CG 3.33Å; M425-M429 PolarHBondContact O-N 3.21Å
426S84.9Confident82.3Confident4 Ų470.4 Ų70.43%0.02839%0.387CS..Hα-helixtrans-58.1-42.417564.90000111.5S423 K428 M429 F430S423-S426 PolarHBondContact N-OG 2.83Å; S423-S426 PolarHBondContact O-N 2.84Å; S423-S426 VanDerWaalsContact O-N 3.08Å; S423-S426 PolarHBondContact O-OG 2.81Å; S423-S426 PolarHBondContact OG-N 2.83Å; S426-K428 VanDerWaalsContact C-N 3.33Å; S426-K428 PolarHBondContact O-N 3.12Å; S426-M429 WeakPolarHBondContact O-CB 3.24Å; S426-M429 PolarHBondContact O-N 2.98Å; S426-M429 VanDerWaalsContact O-N 3.1Å; S426-F430 WeakPolarHBondContact O-CD2 3.29Å; S426-F430 PolarHBondContact O-N 2.95Å
427K85.5Confident81.3Confident98 Ų9871.2 Ų71.243%0.42639%0.393SS..Hα-helixtrans-59.5-39.3175.7-173.2175.2-177.8179.20113L98 S423 M425L98-K427 HydrophobicContact CD1-CB 3.99Å; L98-K427 HydrophobicContact CD1-CG 3.89Å; L98-K427 HydrophobicContact CD2-CG 4.32Å; S423-K427 PolarHBondContact O-N 3.47Å; M425-K427 VanDerWaalsContact C-N 3.28Å; M425-K427 PolarHBondContact O-N 2.82Å
428K85.3Confident80.6Confident156 Ų15679.6 Ų79.668%0.67843%0.432SS*.Hα-helixtrans-65.8-39.8174.8-74.6178.3-179.7-176.50112.1A424 M425 S426 F430 N431 T432A424-K428 WeakPolarHBondContact O-CG 3.35Å; A424-K428 PolarHBondContact O-N 2.88Å; A424-K428 VanDerWaalsContact O-N 3.12Å; M425-K428 WeakPolarHBondContact O-CB 3.33Å; M425-K428 PolarHBondContact O-N 2.82Å; M425-K428 VanDerWaalsContact O-N 3.13Å; S426-K428 VanDerWaalsContact C-N 3.33Å; S426-K428 PolarHBondContact O-N 3.12Å; K428-F430 VanDerWaalsContact C-N 3.34Å; K428-F430 PolarHBondContact O-N 3.29Å; K428-N431 PolarHBondContact O-N 3.19Å; K428-T432 PolarHBondContact O-N 3.29Å; K428-T432 PolarHBondContact O-OG1 3.18Å; K428-T432 VanDerWaalsContact O-OG1 3.04Å
429M83.1Confident80.1Confident81 Ų8187.1 Ų87.140%0.39946%0.455SS..Hα-helixtrans-62.3-40.6179.3-68.3-63.2-66.700111.9F180 M425 S426 N431 T432F180-M429 HydrophobicContact CD1-CB 4.07Å; F180-M429 HydrophobicContact CE1-CB 3.52Å; F180-M429 HydrophobicContact CE1-CG 4.29Å; F180-M429 HydrophobicContact CE2-CB 4.4Å; F180-M429 HydrophobicContact CE2-CE 4.3Å; F180-M429 HydrophobicContact CE2-CG 4.47Å; F180-M429 HydrophobicContact CZ-CB 3.7Å; F180-M429 HydrophobicContact CZ-CG 3.95Å; M425-M429 WeakPolarHBondContact O-CG 3.33Å; M425-M429 PolarHBondContact O-N 3.21Å; S426-M429 WeakPolarHBondContact O-CB 3.24Å; S426-M429 PolarHBondContact O-N 2.98Å; S426-M429 VanDerWaalsContact O-N 3.1Å; M429-N431 VanDerWaalsContact C-N 3.26Å; M429-N431 PolarHBondContact O-N 3.09Å; M429-T432 PolarHBondContact O-N 2.84Å; M429-T432 PolarHBondContact O-OG1 3.09Å
430F78.6Confident79.7Confident14 Ų1491.6 Ų91.66%0.06149%0.489CS..Hα-helixtrans-64.7-26.6176.7-65.9-59.7000114.2E95 L98 N177 F180 F181 S426 K428E95-F430 HydrophobicContact CB-CE2 4.32Å; E95-F430 HydrophobicContact CB-CZ 4.31Å; E95-F430 HydrophobicContact CG-CE2 4Å; E95-F430 HydrophobicContact CG-CZ 4.27Å; L98-F430 HydrophobicContact CB-CB 4.47Å; L98-F430 HydrophobicContact CB-CD2 4.11Å; L98-F430 HydrophobicContact CB-CG 4.34Å; L98-F430 HydrophobicContact CD1-CD2 3.6Å; L98-F430 HydrophobicContact CD1-CE2 4.15Å; L98-F430 HydrophobicContact CD1-CG 4.48Å; N177-F430 PolarHBondContact ND2-O 3.42Å; F180-F430 AromaticContact CD1-CD1 3.93Å; F180-F430 HydrophobicContact CD1-CD1 3.93Å; F180-F430 AromaticContact CD1-CE1 3.48Å; F180-F430 HydrophobicContact CD1-CE1 3.48Å; F180-F430 VanDerWaalsContact CD1-CE1 3.48Å; F180-F430 AromaticContact CD1-CZ 3.91Å; F180-F430 HydrophobicContact CD1-CZ 3.91Å; F180-F430 HydrophobicContact CE1-CD1 4.34Å; F180-F430 AromaticContact CE1-CE1 3.84Å; F180-F430 HydrophobicContact CE1-CE1 3.84Å; F180-F430 HydrophobicContact CE1-CE2 4.22Å; F180-F430 AromaticContact CE1-CZ 3.79Å; F180-F430 HydrophobicContact CE1-CZ 3.79Å; F181-F430 HydrophobicContact CB-CD1 4.4Å; F181-F430 HydrophobicContact CB-CE1 3.63Å; F181-F430 HydrophobicContact CB-CZ 4.46Å; F181-F430 HydrophobicContact CD2-CE1 4.01Å; F181-F430 HydrophobicContact CD2-CZ 4.17Å; F181-F430 HydrophobicContact CG-CE1 4.32Å; S426-F430 WeakPolarHBondContact O-CD2 3.29Å; S426-F430 PolarHBondContact O-N 2.95Å; K428-F430 VanDerWaalsContact C-N 3.34Å; K428-F430 PolarHBondContact O-N 3.29Å
431N75.3Confident79.1Confident106 Ų10699.6 Ų99.657%0.56752%0.519SS*.THydrogen-bonded Turntrans-101.213.8-179-67.5-24.2000113.3K428 M429 V433K428-N431 PolarHBondContact O-N 3.19Å; M429-N431 VanDerWaalsContact C-N 3.26Å; M429-N431 PolarHBondContact O-N 3.09Å; N431-V433 PolarHBondContact O-N 2.8Å
432T73.9Confident78.5Confident60 Ų60103 Ų10337%0.36855%0.547SS..  trans-70.9116.4-177.3-61.80000110V173 K428 M429V173-T432 WeakPolarHBondContact CG1-O 3.28Å; K428-T432 PolarHBondContact O-N 3.29Å; K428-T432 PolarHBondContact O-OG1 3.18Å; K428-T432 VanDerWaalsContact O-OG1 3.04Å; M429-T432 PolarHBondContact O-N 2.84Å; M429-T432 PolarHBondContact O-OG1 3.09Å
433V67.4Low77.7Confident116 Ų116105.7 Ų105.770%0.70357%0.569SS**  trans-79.9141.5168.5-175.40000108.4N431 K435N431-V433 PolarHBondContact O-N 2.8Å; V433-K435 PolarHBondContact O-N 2.83Å
434E64.3Low76.7Confident111 Ų111108.7 Ų108.752%0.51959%0.587SS.*  trans-56114.6176.8-151.1179.916500109.6V173 R441V173-E434 HydrophobicContact CG2-CB 3.7Å; V173-E434 HydrophobicContact CG2-CG 4.36Å; E434-R441 IonicContact OE1-NH2 2.54Å
435K62.5Low75.4Confident186 Ų186110.1 Ų110.181%0.80959%0.588SS**PPolyproline II helixtrans-76.4137.1162.8-66.1-176.1178.5-176.80106.4V433V433-K435 PolarHBondContact O-N 2.83Å
436G60.8Low74Confident66 Ų66110.5 Ų110.568%0.6859%0.593SS**PPolyproline II helixtrans-46.7147.8178.200000112Q438G436-Q438 PolarHBondContact O-N 2.84Å
437S71.6Confident72.1Confident55 Ų55117.7 Ų117.739%0.38563%0.631SS.*PPolyproline II helixtrans-49.5126.7179.2-176.40000110.4W439S437-W439 WeakPolarHBondContact CB-O 3.27Å; S437-W439 PolarHBondContact O-N 2.73Å; S437-W439 PolarHBondContact OG-N 2.82Å; S437-W439 PolarHBondContact OG-O 2.82Å
438Q79.2Confident69.9Low183 Ų183119.1 Ų119.186%0.85564%0.643SS**SBendtrans-70.5-13.2173.7-67.7-177.7-14.800112.3G436G436-Q438 PolarHBondContact O-N 2.84Å
439W83.8Confident68Low207 Ų207120.7 Ų120.778%0.78465%0.65SS**SBendtrans-113.1146.5-179.6-58.597.8000110.3S437S437-W439 WeakPolarHBondContact CB-O 3.27Å; S437-W439 PolarHBondContact O-N 2.73Å; S437-W439 PolarHBondContact OG-N 2.82Å; S437-W439 PolarHBondContact OG-O 2.82Å
440S82.7Confident65.8Low125 Ų125122.8 Ų122.887%0.87467%0.667SS**  trans-57.3145.917551.10000110.9
441R78.7Confident63.9Low177 Ų177128.5 Ų128.567%0.66870%0.703SS**  trans-118.1138.3172.3-66.6-178.4179.5167.1-1.7107.7E434E434-R441 IonicContact OE1-NH2 2.54Å
442A77.8Confident62Low98 Ų98128.5 Ų128.581%0.8171%0.711SS**PPolyproline II helixtrans-63.8137.717100000109.4
443V73.3Confident60.3Low115 Ų115131.3 Ų131.370%0.69773%0.733SS**PPolyproline II helixtrans-71.6125.9172.2-178.70000107.6T445V443-T445 PolarHBondContact O-N 2.83Å; V443-T445 VanDerWaalsContact O-N 3.15Å
444P69.6Low59Low105 Ų105131.1 Ų131.168%0.68273%0.732SS**PPolyproline II helixtrans-57.8121.1176.7-21.231.3000109.9N446P444-N446 PolarHBondContact O-N 2.88Å; P444-N446 VanDerWaalsContact O-N 3.09Å
445T60.3Low57.8Low107 Ų107133.8 Ų133.866%0.65675%0.749SS**G310 helixtrans-67.6-9.4-174.643.50000114V443 N447 L448V443-T445 PolarHBondContact O-N 2.83Å; V443-T445 VanDerWaalsContact O-N 3.15Å; T445-N447 VanDerWaalsContact C-N 3.28Å; T445-N447 PolarHBondContact O-N 2.97Å; T445-L448 HydrophobicContact CG2-CD1 4.4Å
446N54.9Low56.8Low150 Ų150132.9 Ų132.980%0.80275%0.747SS**G310 helixtrans-81.46.5-176.1-75.6-0000115.5P444P444-N446 PolarHBondContact O-N 2.88Å; P444-N446 VanDerWaalsContact O-N 3.09Å
447N44.6Very low56Low155 Ų155133.7 Ų133.783%0.82975%0.747SS**G310 helixtrans-126.618.5171.5-86.8-9.1000113.8T445 F449T445-N447 VanDerWaalsContact C-N 3.28Å; T445-N447 PolarHBondContact O-N 2.97Å; N447-F449 PolarHBondContact O-N 2.92Å
448L41.1Very low54.5Low129 Ų129142 Ų14268%0.67577%0.772SS**  trans-81.966.9172.9-78.1159.1000110.8T445T445-L448 HydrophobicContact CG2-CD1 4.4Å
449F44.8Very low52.8Low189 Ų189140.6 Ų140.683%0.82977%0.77SS**  trans-115.7104.4156.1-87-83.9000108.5N447N447-F449 PolarHBondContact O-N 2.92Å
450V37.5Very low50.8Low124 Ų124133.9 Ų133.975%0.75277%0.766SS**  trans5894.3150.6-163.50000116.6
451T38.4Very low49Very low134 Ų134133.3 Ų133.382%0.82276%0.761SS**  -143111.3128.81.80000108.5C453T451-C453 PolarHBondContact O-N 3.05Å
452S34.4Very low47.5Very low106 Ų106131.1 Ų131.174%0.74177%0.768SS**  trans-60.497.4165.951.80000108.8T454S452-T454 PolarHBondContact O-N 3.11Å
453C39.4Very low45.5Very low120 Ų120138 Ų13881%0.81179%0.791SS**  trans-85.3101.1160-890000107.8T451 L455T451-C453 PolarHBondContact O-N 3.05Å; C453-L455 PolarHBondContact O-N 3.04Å; C453-L455 VanDerWaalsContact O-N 3.15Å
454T39.4Very low44.1Very low112 Ų112139.2 Ų139.269%0.68780%0.796SS**  trans-42.7112.8163.2-35.40000109.6S452 H456S452-T454 PolarHBondContact O-N 3.11Å; T454-H456 VanDerWaalsContact C-N 3.3Å; T454-H456 PolarHBondContact O-N 3.13Å
455L39.6Very low42.8Very low167 Ų167141 Ų14187%0.87480%0.802SS**  trans-64.496.5158.9-97.9137.1000106.6C453 A457C453-L455 PolarHBondContact O-N 3.04Å; C453-L455 VanDerWaalsContact O-N 3.15Å; L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 3.14Å
456H42Very low41.8Very low166 Ų166142.9 Ų142.977%0.76981%0.81SS**  trans-6998157.7-100.2-81.1000106.7T454 Y458T454-H456 VanDerWaalsContact C-N 3.3Å; T454-H456 PolarHBondContact O-N 3.13Å; H456-Y458 PolarHBondContact O-N 3.49Å
457A42.9Very low41Very low84 Ų84142.5 Ų142.569%0.69481%0.811SS**  trans-58114.9158.400000107.1L455 D459L455-A457 VanDerWaalsContact C-N 3.29Å; L455-A457 PolarHBondContact O-N 3.14Å; A457-D459 PolarHBondContact O-N 2.98Å
458Y40.4Very low40.8Very low228 Ų228141.7 Ų141.789%0.89481%0.81SS**  trans-70.491.9161.2-122.1-94.2000105.6H456 G460H456-Y458 PolarHBondContact O-N 3.49Å; Y458-G460 PolarHBondContact O-N 3.02Å
459D43.1Very low40.8Very low154 Ų154142.5 Ų142.582%0.82482%0.819SS**  trans-77.3103.1167.9-141.2-1.3000106.5A457 S461A457-D459 PolarHBondContact O-N 2.98Å; D459-S461 PolarHBondContact O-N 2.99Å
460G41.8Very low40.5Very low67 Ų67139.2 Ų139.269%0.69182%0.818SS**  trans-81.891.817200000109Y458Y458-G460 PolarHBondContact O-N 3.02Å
461S44.9Very low40.7Very low112 Ų112140.4 Ų140.478%0.78382%0.823SS**  trans-88.3102157.460.40000108.6D459D459-S461 PolarHBondContact O-N 2.99Å
462T47.7Very low40.9Very low132 Ų132140.9 Ų140.981%0.8182%0.823SS**  trans-61.6156.214942.80000110.1
463D35.4Very low41.5Very low243 Ų243144.1 Ų144.1100%1.29983%0.831SS**  trans-27.30173.8-71.4-45000117.4

Retrieved 463 of 463 residues in 180.6 ms (Link to these results)

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