A0A077ZIK6_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

AlphaFold DB , UniProt , Accession A0A077ZIK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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
1M44.2Very low69.9Low237 Ų237113 Ų113100%1.16759%0.589SS**  0119.70-71.7-171.3-65.700106.4V3M1-V3 PolarHBondContact O-N 3.41Å
2E44.2Very low71.3Confident164 Ų164116.3 Ų116.377%0.76659%0.588SS**  trans-59.9124.4-163.1-67.3137.115100111.2E4E2-E4 HydrophobicContact CB-CG 3.88Å; E2-E4 PolarHBondContact O-N 3.32Å
3V54.1Low72.5Confident67 Ų67110.9 Ų110.941%0.40656%0.558SS.*  trans-75.374159.8177.90000106.4M1 S5 E6M1-V3 PolarHBondContact O-N 3.41Å; V3-S5 PolarHBondContact O-N 2.98Å; V3-E6 HydrophobicContact CG1-CB 3.53Å; V3-E6 HydrophobicContact CG1-CG 3.42Å; V3-E6 VanDerWaalsContact CG1-CG 3.42Å; V3-E6 VanDerWaalsContact CG1-OE2 3.22Å; V3-E6 WeakPolarHBondContact CG1-OE2 3.41Å
4E59.8Low73.7Confident153 Ų153109.6 Ų109.672%0.71554%0.543SS*.  trans-60.8114.5167.9-77.9-179.4138.700108.6E2 E6E2-E4 HydrophobicContact CB-CG 3.88Å; E2-E4 PolarHBondContact O-N 3.32Å; E4-E6 PolarHBondContact O-N 3.42Å
5S64.1Low74.8Confident116 Ų116109.4 Ų109.481%0.81154%0.54SS*.SBendtrans47.832.6169.465.50000119.2V3 T7V3-S5 PolarHBondContact O-N 2.98Å; S5-T7 PolarHBondContact O-N 3.28Å
6E78.3Confident75.8Confident61 Ų61108.6 Ų108.629%0.28554%0.539SS..  trans-61.7129.1167.8-81.3178.3-175.100110.6V3 E4 R11 R14V3-E6 HydrophobicContact CG1-CB 3.53Å; V3-E6 HydrophobicContact CG1-CG 3.42Å; V3-E6 VanDerWaalsContact CG1-CG 3.42Å; V3-E6 VanDerWaalsContact CG1-OE2 3.22Å; V3-E6 WeakPolarHBondContact CG1-OE2 3.41Å; E4-E6 PolarHBondContact O-N 3.42Å; E6-R11 HydrophobicContact CB-CG 4.07Å; E6-R11 WeakPolarHBondContact OE2-CG 3.49Å; E6-R14 IonicContact OE1-NH1 3.66Å; E6-R14 PolarHBondContact OE1-NH1 3.36Å; E6-R14 IonicContact OE2-CZ 3.87Å; E6-R14 IonicContact OE2-NH1 3.51Å; E6-R14 PolarHBondContact OE2-NH1 2.92Å; E6-R14 IonicContact OE2-NH2 2.64Å
7T84.5Confident76.5Confident74 Ų74106.5 Ų106.545%0.45453%0.526SS..  trans-65.5149.6172.6630000110.2S5 A9 E10 R11S5-T7 PolarHBondContact O-N 3.28Å; T7-A9 PolarHBondContact O-N 3.24Å; T7-A9 VanDerWaalsContact O-N 3.08Å; T7-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact O-N 3.32Å; T7-E10 VanDerWaalsContact OG1-CG 3.24Å; T7-E10 WeakPolarHBondContact OG1-CG 3.48Å; T7-E10 PolarHBondContact OG1-N 3.01Å; T7-E10 PolarHBondContact OG1-OE2 3.01Å; T7-R11 PolarHBondContact O-N 2.55Å; T7-R11 VanDerWaalsContact O-N 3.08Å
8L84.4Confident77.4Confident114 Ų114106.7 Ų106.760%0.59753%0.525SS*.Hα-helixtrans-56.2-28.2175.2177.7143.5000112.4R12L8-R12 VanDerWaalsContact CD2-CZ 3.49Å; L8-R12 WeakPolarHBondContact O-CG 3.15Å; L8-R12 PolarHBondContact O-N 3.05Å; L8-R12 VanDerWaalsContact O-N 3.16Å
9A82.2Confident78Confident49 Ų49104.2 Ų104.241%0.40552%0.523SS..Hα-helixtrans-69-39.9174.300000112.8T7 K13T7-A9 PolarHBondContact O-N 3.24Å; T7-A9 VanDerWaalsContact O-N 3.08Å; A9-K13 VanDerWaalsContact O-CG 3.31Å; A9-K13 WeakPolarHBondContact O-CG 3.06Å; A9-K13 PolarHBondContact O-N 3.39Å; A9-K13 VanDerWaalsContact O-N 3.13Å
10E85.2Confident78.5Confident97 Ų97101.3 Ų101.345%0.45351%0.513SS..Hα-helixtrans-68.8-39.8176.6-73.9160.3156.700111.7T7 K13 R14T7-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact O-N 3.32Å; T7-E10 VanDerWaalsContact OG1-CG 3.24Å; T7-E10 WeakPolarHBondContact OG1-CG 3.48Å; T7-E10 PolarHBondContact OG1-N 3.01Å; T7-E10 PolarHBondContact OG1-OE2 3.01Å; E10-K13 WeakPolarHBondContact O-CB 3.43Å; E10-K13 PolarHBondContact O-N 3.32Å; E10-R14 PolarHBondContact O-N 2.05Å
11R88.3Confident79Confident111 Ų111103.2 Ų103.242%0.41952%0.518SS..Hα-helixtrans-58.5-51.2174.2-67.5-175.3-172.4-169.31.9111.9E6 T7 K13 R14 E15E6-R11 HydrophobicContact CB-CG 4.07Å; E6-R11 WeakPolarHBondContact OE2-CG 3.49Å; T7-R11 PolarHBondContact O-N 2.55Å; T7-R11 VanDerWaalsContact O-N 3.08Å; R11-K13 VanDerWaalsContact C-N 3.28Å; R11-K13 PolarHBondContact O-N 2.98Å; R11-R14 WeakPolarHBondContact O-CB 3.35Å; R11-R14 PolarHBondContact O-N 3.27Å; R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 3.1Å
12R86.5Confident81.2Confident152 Ų15294.4 Ų94.457%0.57448%0.483SS*.Hα-helixtrans-57-41.3176.4-74.9-179-179.91751.2112.3L8 R14 E15 D16L8-R12 VanDerWaalsContact CD2-CZ 3.49Å; L8-R12 WeakPolarHBondContact O-CG 3.15Å; L8-R12 PolarHBondContact O-N 3.05Å; L8-R12 VanDerWaalsContact O-N 3.16Å; R12-R14 VanDerWaalsContact C-N 3.35Å; R12-R14 PolarHBondContact O-N 3.19Å; R12-E15 PolarHBondContact O-N 3.39Å; R12-D16 WeakPolarHBondContact O-CB 3.36Å; R12-D16 PolarHBondContact O-N 3.06Å
13K86.1Confident83.2Confident47 Ų4791 Ų9120%0.20447%0.466CS..Hα-helixtrans-63.1-39.9176.1-75.9179.4174.4-145.80112.7A9 E10 R11 K17 E60A9-K13 VanDerWaalsContact O-CG 3.31Å; A9-K13 WeakPolarHBondContact O-CG 3.06Å; A9-K13 PolarHBondContact O-N 3.39Å; A9-K13 VanDerWaalsContact O-N 3.13Å; E10-K13 WeakPolarHBondContact O-CB 3.43Å; E10-K13 PolarHBondContact O-N 3.32Å; R11-K13 VanDerWaalsContact C-N 3.28Å; R11-K13 PolarHBondContact O-N 2.98Å; K13-K17 VanDerWaalsContact O-CG 3.3Å; K13-K17 WeakPolarHBondContact O-CG 3.49Å; K13-K17 PolarHBondContact O-N 3.45Å; K13-K17 VanDerWaalsContact O-N 3.13Å; K13-E60 IonicContact NZ-OE2 3.49Å; K13-E60 PolarHBondContact NZ-OE2 3.4Å
14R89.8Confident84.9Confident93 Ų9389.4 Ų89.435%0.35145%0.452SS..Hα-helixtrans-66-48.5177.1-174.2-179.766-141.9-8.7110.4E6 E10 R11 R12 D16 K17 E18E6-R14 IonicContact OE1-NH1 3.66Å; E6-R14 PolarHBondContact OE1-NH1 3.36Å; E6-R14 IonicContact OE2-CZ 3.87Å; E6-R14 IonicContact OE2-NH1 3.51Å; E6-R14 PolarHBondContact OE2-NH1 2.92Å; E6-R14 IonicContact OE2-NH2 2.64Å; E10-R14 PolarHBondContact O-N 2.05Å; R11-R14 WeakPolarHBondContact O-CB 3.35Å; R11-R14 PolarHBondContact O-N 3.27Å; R12-R14 VanDerWaalsContact C-N 3.35Å; R12-R14 PolarHBondContact O-N 3.19Å; R14-D16 VanDerWaalsContact C-N 3.33Å; R14-D16 PolarHBondContact O-N 3.37Å; R14-K17 WeakPolarHBondContact O-CB 3.39Å; R14-K17 PolarHBondContact O-N 3.34Å; R14-K17 VanDerWaalsContact O-N 3.07Å; R14-E18 WeakPolarHBondContact CG-OE1 3.16Å; R14-E18 IonicContact NE-OE1 2.68Å; R14-E18 WeakPolarHBondContact O-CG 3.07Å; R14-E18 PolarHBondContact O-N 2.88Å
15E90.9Very high86.2Confident106 Ų10686.4 Ų86.450%0.49544%0.441SS..Hα-helixtrans-56.7-45.2176.2-70.5167.6-176.200111.3R11 R12 K17 E18 A19R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 3.1Å; R12-E15 PolarHBondContact O-N 3.39Å; E15-K17 VanDerWaalsContact C-N 3.3Å; E15-K17 PolarHBondContact O-N 3.3Å; E15-E18 PolarHBondContact O-N 3.18Å; E15-A19 VanDerWaalsContact O-CB 3.31Å; E15-A19 WeakPolarHBondContact O-CB 3.43Å; E15-A19 PolarHBondContact O-N 2.98Å
16D89.6Confident87.3Confident97 Ų9781.6 Ų81.652%0.51941%0.407SS..Hα-helixtrans-60.3-38.2175.8-74.4-19.2000112.3R12 R14 S20R12-D16 WeakPolarHBondContact O-CB 3.36Å; R12-D16 PolarHBondContact O-N 3.06Å; R14-D16 VanDerWaalsContact C-N 3.33Å; R14-D16 PolarHBondContact O-N 3.37Å; D16-S20 VanDerWaalsContact O-CB 3.22Å; D16-S20 WeakPolarHBondContact O-CB 3.25Å; D16-S20 PolarHBondContact O-N 3.35Å
17K89Confident87.5Confident72 Ų7280.2 Ų80.231%0.31340%0.402SS..Hα-helixtrans-70.8-41.7177.2-73.7179.1-171.7-134.90111.9K13 R14 E15 S20 K21 E56K13-K17 VanDerWaalsContact O-CG 3.3Å; K13-K17 WeakPolarHBondContact O-CG 3.49Å; K13-K17 PolarHBondContact O-N 3.45Å; K13-K17 VanDerWaalsContact O-N 3.13Å; R14-K17 WeakPolarHBondContact O-CB 3.39Å; R14-K17 PolarHBondContact O-N 3.34Å; R14-K17 VanDerWaalsContact O-N 3.07Å; E15-K17 VanDerWaalsContact C-N 3.3Å; E15-K17 PolarHBondContact O-N 3.3Å; K17-S20 PolarHBondContact O-N 2.74Å; K17-K21 WeakPolarHBondContact O-CB 3.46Å; K17-K21 VanDerWaalsContact O-CG 3.32Å; K17-K21 WeakPolarHBondContact O-CG 3.38Å; K17-K21 PolarHBondContact O-N 3.08Å; K17-E56 WeakPolarHBondContact CE-OE1 3.43Å; K17-E56 IonicContact NZ-OE1 2.82Å; K17-E56 PolarHBondContact NZ-OE1 3.32Å; K17-E56 IonicContact NZ-OE2 3.56Å; K17-E56 PolarHBondContact NZ-OE2 2.95Å
18E91.3Very high87.7Confident110 Ų11079 Ų7951%0.51439%0.39SS..Hα-helixtrans-63.5-45.5175.8-72.2170.9-172.700110.6R14 E15 S20 K21 A22R14-E18 WeakPolarHBondContact CG-OE1 3.16Å; R14-E18 IonicContact NE-OE1 2.68Å; R14-E18 WeakPolarHBondContact O-CG 3.07Å; R14-E18 PolarHBondContact O-N 2.88Å; E15-E18 PolarHBondContact O-N 3.18Å; E18-S20 PolarHBondContact O-N 3.01Å; E18-K21 PolarHBondContact O-N 3.03Å; E18-A22 WeakPolarHBondContact O-CB 3.4Å; E18-A22 PolarHBondContact O-N 3.31Å
19A89Confident87.8Confident60 Ų6076.1 Ų76.150%0.49638%0.375SS..Hα-helixtrans-62.1-43175.500000112.2E15 A22 F23E15-A19 VanDerWaalsContact O-CB 3.31Å; E15-A19 WeakPolarHBondContact O-CB 3.43Å; E15-A19 PolarHBondContact O-N 2.98Å; A19-A22 PolarHBondContact O-N 3.5Å; A19-F23 VanDerWaalsContact O-CB 3.29Å; A19-F23 WeakPolarHBondContact O-CB 3.31Å; A19-F23 PolarHBondContact O-N 3.34Å
20S87.8Confident87.8Confident46 Ų4674 Ų7432%0.32236%0.357SS..Hα-helixtrans-62.6-44.3176178.90000112.2D16 K17 E18 F23 W24D16-S20 VanDerWaalsContact O-CB 3.22Å; D16-S20 WeakPolarHBondContact O-CB 3.25Å; D16-S20 PolarHBondContact O-N 3.35Å; K17-S20 PolarHBondContact O-N 2.74Å; E18-S20 PolarHBondContact O-N 3.01Å; S20-F23 PolarHBondContact O-N 3.49Å; S20-W24 PolarHBondContact O-N 2.98Å; S20-W24 VanDerWaalsContact O-N 3.11Å
21K90.3Very high87.6Confident142 Ų14269.4 Ų69.462%0.61734%0.336SS*.Hα-helixtrans-62.4-49.8175.3-74.1175.8-177-178.70111.6K17 E18 F23 W24 D25K17-K21 WeakPolarHBondContact O-CB 3.46Å; K17-K21 VanDerWaalsContact O-CG 3.32Å; K17-K21 WeakPolarHBondContact O-CG 3.38Å; K17-K21 PolarHBondContact O-N 3.08Å; E18-K21 PolarHBondContact O-N 3.03Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.17Å; K21-W24 PolarHBondContact O-N 3.27Å; K21-W24 VanDerWaalsContact O-N 3.1Å; K21-D25 VanDerWaalsContact O-CG 3.29Å; K21-D25 PolarHBondContact O-N 3.04Å
22A89.2Confident87.5Confident51 Ų5170.5 Ų70.542%0.42134%0.34SS..Hα-helixtrans-57.9-41.4178.500000111.8E18 A19 W24 D25 V26E18-A22 WeakPolarHBondContact O-CB 3.4Å; E18-A22 PolarHBondContact O-N 3.31Å; A19-A22 PolarHBondContact O-N 3.5Å; A22-W24 PolarHBondContact O-N 3.45Å; A22-D25 PolarHBondContact O-N 3.46Å; A22-V26 WeakPolarHBondContact O-CB 3.39Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.43Å; A22-V26 PolarHBondContact O-N 3.3Å
23F86.8Confident87.3Confident93 Ų9367 Ų6741%0.40835%0.352SS..Hα-helixtrans-59.5-45.9175.1172.5-101.7000112.5A19 S20 K21 V26 L27 L235A19-F23 VanDerWaalsContact O-CB 3.29Å; A19-F23 WeakPolarHBondContact O-CB 3.31Å; A19-F23 PolarHBondContact O-N 3.34Å; S20-F23 PolarHBondContact O-N 3.49Å; K21-F23 VanDerWaalsContact C-N 3.27Å; K21-F23 PolarHBondContact O-N 3.17Å; F23-V26 PolarHBondContact O-N 2.95Å; F23-L27 HydrophobicContact CD1-CD1 3.99Å; F23-L27 HydrophobicContact CE1-CD1 3.35Å; F23-L27 HydrophobicContact CE1-CG 4.39Å; F23-L27 HydrophobicContact CE2-CD1 4.06Å; F23-L27 HydrophobicContact CE2-CG 4.41Å; F23-L27 HydrophobicContact CZ-CD1 3.4Å; F23-L27 VanDerWaalsContact CZ-CD1 3.4Å; F23-L27 HydrophobicContact CZ-CG 4.21Å; F23-L27 PolarHBondContact O-N 3Å; F23-L235 HydrophobicContact CD2-CD2 4.15Å; F23-L235 HydrophobicContact CE2-CD2 3.93Å
24W89.1Confident87Confident33 Ų3367.8 Ų67.813%0.12535%0.354CS..Hα-helixtrans-69.2-36.7178.4-77.7118.6000113S20 K21 A22 L27 E28 F41 W44 R45 D48S20-W24 PolarHBondContact O-N 2.98Å; S20-W24 VanDerWaalsContact O-N 3.11Å; K21-W24 PolarHBondContact O-N 3.27Å; K21-W24 VanDerWaalsContact O-N 3.1Å; A22-W24 PolarHBondContact O-N 3.45Å; W24-L27 HydrophobicContact CE3-CD1 3.93Å; W24-L27 HydrophobicContact CZ3-CD1 3.97Å; W24-L27 PolarHBondContact O-N 2.9Å; W24-E28 WeakPolarHBondContact O-CB 3.5Å; W24-E28 PolarHBondContact O-N 3.37Å; W24-F41 HydrophobicContact CE3-CD2 4.16Å; W24-F41 AromaticContact CE3-CE2 3.7Å; W24-F41 HydrophobicContact CE3-CE2 3.7Å; W24-F41 HydrophobicContact CE3-CZ 4.5Å; W24-F41 HydrophobicContact CZ3-CD2 4.11Å; W24-F41 HydrophobicContact CZ3-CE2 4.1Å; W24-W44 HydrophobicContact CH2-CB 3.94Å; W24-W44 HydrophobicContact CZ3-CB 4.42Å; W24-R45 HydrophobicContact CH2-CB 4.34Å; W24-R45 HydrophobicContact CZ3-CB 4.1Å; W24-D48 VanDerWaalsContact CE2-OD2 3.32Å; W24-D48 HydrophobicContact CH2-CB 4.25Å; W24-D48 HydrophobicContact CZ2-CB 3.55Å; W24-D48 VanDerWaalsContact CZ2-OD2 3.3Å; W24-D48 WeakPolarHBondContact CZ2-OD2 3.25Å; W24-D48 PolarHBondContact NE1-OD2 3.36Å
25D88.6Confident86.8Confident91 Ų9171.6 Ų71.649%0.48737%0.373SS..Hα-helixtrans-63.1-44.3175.3-68.6-22.4000110.9K21 A22 E28 I29K21-D25 VanDerWaalsContact O-CG 3.29Å; K21-D25 PolarHBondContact O-N 3.04Å; A22-D25 PolarHBondContact O-N 3.46Å; D25-E28 WeakPolarHBondContact O-CB 3.36Å; D25-E28 PolarHBondContact O-N 2.92Å; D25-I29 WeakPolarHBondContact O-CG1 3.34Å; D25-I29 PolarHBondContact O-N 3.34Å
26V85.7Confident86.4Confident14 Ų1471 Ų719%0.08538%0.379CS..Hα-helixtrans-61.3-46.4175.41650000111.4A22 F23 E28 I29 D30 L235 Y242A22-V26 WeakPolarHBondContact O-CB 3.39Å; A22-V26 VanDerWaalsContact O-CG2 3.29Å; A22-V26 WeakPolarHBondContact O-CG2 3.43Å; A22-V26 PolarHBondContact O-N 3.3Å; F23-V26 PolarHBondContact O-N 2.95Å; V26-E28 VanDerWaalsContact C-N 3.29Å; V26-E28 PolarHBondContact O-N 3.45Å; V26-I29 PolarHBondContact O-N 3.21Å; V26-D30 WeakPolarHBondContact O-CB 3.45Å; V26-D30 PolarHBondContact O-N 3.36Å; V26-L235 HydrophobicContact CG1-CD1 3.85Å; V26-L235 HydrophobicContact CG1-CD2 3.75Å; V26-L235 HydrophobicContact CG1-CG 3.57Å; V26-Y242 HydrophobicContact CB-CE2 4.34Å; V26-Y242 HydrophobicContact CG1-CD2 4.38Å; V26-Y242 HydrophobicContact CG1-CE2 3.38Å; V26-Y242 VanDerWaalsContact CG1-OH 3.29Å; V26-Y242 WeakPolarHBondContact CG1-OH 3.31Å; V26-Y242 HydrophobicContact CG2-CE2 4.29Å
27L84.2Confident85.7Confident33 Ų3369.8 Ų69.817%0.17337%0.368CS..Hα-helixtrans-64-34.3175.6-79.9176.8000112.8F23 W24 D30 S31 F41 L235F23-L27 HydrophobicContact CD1-CD1 3.99Å; F23-L27 HydrophobicContact CE1-CD1 3.35Å; F23-L27 HydrophobicContact CE1-CG 4.39Å; F23-L27 HydrophobicContact CE2-CD1 4.06Å; F23-L27 HydrophobicContact CE2-CG 4.41Å; F23-L27 HydrophobicContact CZ-CD1 3.4Å; F23-L27 VanDerWaalsContact CZ-CD1 3.4Å; F23-L27 HydrophobicContact CZ-CG 4.21Å; F23-L27 PolarHBondContact O-N 3Å; W24-L27 HydrophobicContact CE3-CD1 3.93Å; W24-L27 HydrophobicContact CZ3-CD1 3.97Å; W24-L27 PolarHBondContact O-N 2.9Å; L27-D30 PolarHBondContact O-N 3.22Å; L27-S31 VanDerWaalsContact O-CB 3.3Å; L27-S31 WeakPolarHBondContact O-CB 3.47Å; L27-S31 PolarHBondContact O-N 2.87Å; L27-S31 PolarHBondContact O-OG 2.9Å; L27-F41 HydrophobicContact CB-CD2 3.87Å; L27-F41 HydrophobicContact CB-CE2 3.88Å; L27-L235 HydrophobicContact CD2-CD1 3.72Å; L27-L235 HydrophobicContact CD2-CD2 3.8Å; L27-L235 HydrophobicContact CD2-CG 4.45Å; L27-L235 HydrophobicContact CG-CD1 4.45Å; L27-L235 HydrophobicContact CG-CD2 3.95Å
28E87Confident85.6Confident47 Ų4769.3 Ų69.322%0.2236%0.364CS..Hα-helixtrans-63.4-49.8176.9-167.5-172.7135.500110.2W24 D25 V26 D30 S31 R32 R38 F41 R45W24-E28 WeakPolarHBondContact O-CB 3.5Å; W24-E28 PolarHBondContact O-N 3.37Å; D25-E28 WeakPolarHBondContact O-CB 3.36Å; D25-E28 PolarHBondContact O-N 2.92Å; V26-E28 VanDerWaalsContact C-N 3.29Å; V26-E28 PolarHBondContact O-N 3.45Å; E28-D30 VanDerWaalsContact C-N 3.34Å; E28-D30 PolarHBondContact O-N 3.26Å; E28-S31 PolarHBondContact O-N 2.94Å; E28-S31 PolarHBondContact O-OG 3.32Å; E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 IonicContact OE1-NH2 3.5Å; E28-R32 PolarHBondContact OE1-NH2 3.32Å; E28-R32 VanDerWaalsContact OE1-NH2 3.11Å; E28-R38 VanDerWaalsContact CG-NH1 3.3Å; E28-R38 PolarHBondContact O-NH1 3.33Å; E28-F41 HydrophobicContact CB-CE1 4.42Å; E28-F41 HydrophobicContact CB-CE2 3.94Å; E28-F41 HydrophobicContact CB-CZ 3.63Å; E28-F41 HydrophobicContact CG-CE1 4.16Å; E28-F41 HydrophobicContact CG-CZ 3.81Å; E28-R45 IonicContact OE2-NH1 3.59Å
29I87Confident85.4Confident54 Ų5470.3 Ų70.328%0.27737%0.367SS..Hα-helixtrans-57.5-48.6176.7-65163.8000109.8D25 V26 S31 R32 Y242D25-I29 WeakPolarHBondContact O-CG1 3.34Å; D25-I29 PolarHBondContact O-N 3.34Å; V26-I29 PolarHBondContact O-N 3.21Å; I29-S31 PolarHBondContact O-N 2.96Å; I29-R32 WeakPolarHBondContact O-CB 3.5Å; I29-R32 PolarHBondContact O-N 3.46Å; I29-R32 VanDerWaalsContact O-N 3.14Å; I29-Y242 HydrophobicContact CG2-CD1 4.07Å; I29-Y242 HydrophobicContact CG2-CG 3.95Å
30D81.6Confident85.4Confident4 Ų470.4 Ų70.42%0.02136%0.361CS..THydrogen-bonded Turntrans-75.3-3-177.8-1561.4000114.7V26 L27 E28 R37 L235 Y242 R245V26-D30 WeakPolarHBondContact O-CB 3.45Å; V26-D30 PolarHBondContact O-N 3.36Å; L27-D30 PolarHBondContact O-N 3.22Å; E28-D30 VanDerWaalsContact C-N 3.34Å; E28-D30 PolarHBondContact O-N 3.26Å; D30-R37 VanDerWaalsContact O-CD 3.27Å; D30-R37 WeakPolarHBondContact O-CD 3.24Å; D30-R37 PolarHBondContact O-NE 2.67Å; D30-R37 PolarHBondContact O-NH1 3.06Å; D30-R37 IonicContact OD1-CZ 3.79Å; D30-R37 IonicContact OD1-NH1 3.3Å; D30-R37 PolarHBondContact OD1-NH1 3.29Å; D30-R37 IonicContact OD1-NH2 3.81Å; D30-R37 IonicContact OD2-CZ 3.53Å; D30-R37 IonicContact OD2-NH1 2.75Å; D30-R37 PolarHBondContact OD2-NH1 2.92Å; D30-R37 IonicContact OD2-NH2 3.98Å; D30-R37 PolarHBondContact OD2-NH2 3.43Å; D30-L235 HydrophobicContact CB-CD1 4.04Å; D30-L235 VanDerWaalsContact OD2-CD1 3.27Å; D30-L235 WeakPolarHBondContact OD2-CD1 3.34Å; D30-Y242 HydrophobicContact CB-CD1 4.26Å; D30-Y242 HydrophobicContact CB-CE1 3.53Å; D30-Y242 VanDerWaalsContact CG-CE1 3.45Å; D30-Y242 PolarHBondContact OD2-OH 3.42Å; D30-R245 IonicContact OD1-CZ 3.69Å; D30-R245 IonicContact OD1-NH1 2.63Å; D30-R245 PolarHBondContact OD1-NH1 2.93Å; D30-R245 IonicContact OD1-NH2 3.93Å
31S82.7Confident85.4Confident1 Ų168.6 Ų68.61%0.00735%0.348CS..THydrogen-bonded Turntrans-95.2-13170.773.80000113.5L27 E28 I29 G33 R38L27-S31 VanDerWaalsContact O-CB 3.3Å; L27-S31 WeakPolarHBondContact O-CB 3.47Å; L27-S31 PolarHBondContact O-N 2.87Å; L27-S31 PolarHBondContact O-OG 2.9Å; E28-S31 PolarHBondContact O-N 2.94Å; E28-S31 PolarHBondContact O-OG 3.32Å; I29-S31 PolarHBondContact O-N 2.96Å; S31-G33 PolarHBondContact O-N 2.92Å; S31-R38 VanDerWaalsContact OG-CD 3.28Å; S31-R38 WeakPolarHBondContact OG-CD 3.35Å; S31-R38 PolarHBondContact OG-NH1 3.03Å
32R84.6Confident85.5Confident134 Ų13467.7 Ų67.751%0.50634%0.341SS..THydrogen-bonded Turntrans-67.9132.2179.7-65.3176.8-177.3-179.3-0.1109.8E28 I29E28-R32 PolarHBondContact O-N 2.91Å; E28-R32 IonicContact OE1-NH2 3.5Å; E28-R32 PolarHBondContact OE1-NH2 3.32Å; E28-R32 VanDerWaalsContact OE1-NH2 3.11Å; I29-R32 WeakPolarHBondContact O-CB 3.5Å; I29-R32 PolarHBondContact O-N 3.46Å; I29-R32 VanDerWaalsContact O-N 3.14Å
33G82.7Confident85.6Confident80 Ų8067.4 Ų67.483%0.82534%0.338SS*.THydrogen-bonded Turntrans95.5-12.6176.900000116.6S31S31-G33 PolarHBondContact O-N 2.92Å
34Y81.2Confident85.6Confident63 Ų6370.3 Ų70.325%0.24735%0.347CS..  trans-126115.9178.6-53.4-87.2000111.5C36 R37 R38 K249 E256Y34-C36 PolarHBondContact O-N 3.38Å; Y34-R37 PolarHBondContact O-N 3.37Å; Y34-R38 WeakPolarHBondContact O-CB 3.28Å; Y34-R38 PolarHBondContact O-N 3.17Å; Y34-K249 PolarHBondContact OH-NZ 2.97Å; Y34-E256 WeakPolarHBondContact CE1-OE1 3.49Å; Y34-E256 VanDerWaalsContact CZ-OE1 3.29Å; Y34-E256 PolarHBondContact OH-OE1 2.83Å
35F84.3Confident85.6Confident173 Ų17372.9 Ų72.976%0.75936%0.357SS*.Hα-helixtrans-52.7-51.4-178175.7-100.6000112.8R37 R38 F39F35-R37 PolarHBondContact O-N 2.93Å; F35-R38 PolarHBondContact O-N 3.4Å; F35-F39 WeakPolarHBondContact O-CB 3.49Å; F35-F39 PolarHBondContact O-N 2.85Å
36C83.5Confident85.8Confident93 Ų9376 Ų7663%0.62837%0.366SS*.Hα-helixtrans-63.1-38.9-177.2-60.40000112.7Y34 F39 T40Y34-C36 PolarHBondContact O-N 3.38Å; C36-F39 PolarHBondContact O-N 3.29Å; C36-T40 WeakPolarHBondContact O-CG2 3.46Å; C36-T40 PolarHBondContact O-N 3.38Å; C36-T40 PolarHBondContact O-OG1 3.08Å
37R74.6Confident86.1Confident72 Ų7280.6 Ų80.627%0.27239%0.39SS..Hα-helixtrans-75.7-30.9179.8-166.3170.6179.4-175.82.4112.4D30 Y34 F35 T40 F41D30-R37 VanDerWaalsContact O-CD 3.27Å; D30-R37 WeakPolarHBondContact O-CD 3.24Å; D30-R37 PolarHBondContact O-NE 2.67Å; D30-R37 PolarHBondContact O-NH1 3.06Å; D30-R37 IonicContact OD1-CZ 3.79Å; D30-R37 IonicContact OD1-NH1 3.3Å; D30-R37 PolarHBondContact OD1-NH1 3.29Å; D30-R37 IonicContact OD1-NH2 3.81Å; D30-R37 IonicContact OD2-CZ 3.53Å; D30-R37 IonicContact OD2-NH1 2.75Å; D30-R37 PolarHBondContact OD2-NH1 2.92Å; D30-R37 IonicContact OD2-NH2 3.98Å; D30-R37 PolarHBondContact OD2-NH2 3.43Å; Y34-R37 PolarHBondContact O-N 3.37Å; F35-R37 PolarHBondContact O-N 2.93Å; R37-T40 WeakPolarHBondContact CA-OG1 3.27Å; R37-T40 PolarHBondContact O-OG1 2.97Å; R37-T40 VanDerWaalsContact O-OG1 3.09Å; R37-F41 VanDerWaalsContact O-CB 3.27Å; R37-F41 WeakPolarHBondContact O-CB 3.42Å; R37-F41 PolarHBondContact O-N 3.24Å
38R86.3Confident86.4Confident61 Ų6181.4 Ų81.423%0.2339%0.394CS..Hα-helixtrans-66.4-43.3170.7-16368.3170.8164.90.2111.2E28 S31 Y34 F35 F41 Y42E28-R38 VanDerWaalsContact CG-NH1 3.3Å; E28-R38 PolarHBondContact O-NH1 3.33Å; S31-R38 VanDerWaalsContact OG-CD 3.28Å; S31-R38 WeakPolarHBondContact OG-CD 3.35Å; S31-R38 PolarHBondContact OG-NH1 3.03Å; Y34-R38 WeakPolarHBondContact O-CB 3.28Å; Y34-R38 PolarHBondContact O-N 3.17Å; F35-R38 PolarHBondContact O-N 3.4Å; R38-F41 WeakPolarHBondContact O-CB 3.48Å; R38-F41 PolarHBondContact O-N 3.39Å; R38-Y42 HydrophobicContact CG-CD2 4.09Å; R38-Y42 HydrophobicContact CG-CE2 3.65Å; R38-Y42 PolarHBondContact NE-OH 3.1Å; R38-Y42 PolarHBondContact NH2-OH 3.38Å; R38-Y42 WeakPolarHBondContact O-CD2 3.47Å; R38-Y42 PolarHBondContact O-N 3.37Å; R38-Y42 VanDerWaalsContact O-N 3.09Å
39F88.5Confident86.7Confident132 Ų13283.8 Ų83.858%0.57941%0.407SS*.Hα-helixtrans-60.8-50.6174.8175.7-99.3000112F35 C36 F41 Y42 A43F35-F39 WeakPolarHBondContact O-CB 3.49Å; F35-F39 PolarHBondContact O-N 2.85Å; C36-F39 PolarHBondContact O-N 3.29Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.9Å; F39-Y42 PolarHBondContact O-N 2.83Å; F39-A43 PolarHBondContact O-N 3.05Å
40T87.4Confident87.1Confident61 Ų6184.5 Ų84.537%0.37442%0.416SS..Hα-helixtrans-61.8-42.1178.556.20000111.5C36 R37 Y42 A43 W44C36-T40 WeakPolarHBondContact O-CG2 3.46Å; C36-T40 PolarHBondContact O-N 3.38Å; C36-T40 PolarHBondContact O-OG1 3.08Å; R37-T40 WeakPolarHBondContact CA-OG1 3.27Å; R37-T40 PolarHBondContact O-OG1 2.97Å; R37-T40 VanDerWaalsContact O-OG1 3.09Å; T40-Y42 PolarHBondContact O-N 3.29Å; T40-A43 PolarHBondContact O-N 2.91Å; T40-W44 PolarHBondContact O-N 3.28Å
41F88.2Confident87.7Confident9 Ų987 Ų874%0.03944%0.436CS..Hα-helixtrans-52.8-50.5173.9170.1-97.4000112.4W24 L27 E28 R37 R38 F39 W44 R45W24-F41 HydrophobicContact CE3-CD2 4.16Å; W24-F41 AromaticContact CE3-CE2 3.7Å; W24-F41 HydrophobicContact CE3-CE2 3.7Å; W24-F41 HydrophobicContact CE3-CZ 4.5Å; W24-F41 HydrophobicContact CZ3-CD2 4.11Å; W24-F41 HydrophobicContact CZ3-CE2 4.1Å; L27-F41 HydrophobicContact CB-CD2 3.87Å; L27-F41 HydrophobicContact CB-CE2 3.88Å; E28-F41 HydrophobicContact CB-CE1 4.42Å; E28-F41 HydrophobicContact CB-CE2 3.94Å; E28-F41 HydrophobicContact CB-CZ 3.63Å; E28-F41 HydrophobicContact CG-CE1 4.16Å; E28-F41 HydrophobicContact CG-CZ 3.81Å; R37-F41 VanDerWaalsContact O-CB 3.27Å; R37-F41 WeakPolarHBondContact O-CB 3.42Å; R37-F41 PolarHBondContact O-N 3.24Å; R38-F41 WeakPolarHBondContact O-CB 3.48Å; R38-F41 PolarHBondContact O-N 3.39Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.9Å; F41-W44 PolarHBondContact O-N 3.42Å; F41-R45 VanDerWaalsContact O-CB 3.26Å; F41-R45 WeakPolarHBondContact O-CB 3.49Å; F41-R45 PolarHBondContact O-N 2.86Å
42Y91.4Very high88.1Confident123 Ų12388.8 Ų88.848%0.48245%0.447SS..Hα-helixtrans-66.3-37.7178.6-74.2-59.9000112.5R38 F39 T40 R45 F46R38-Y42 HydrophobicContact CG-CD2 4.09Å; R38-Y42 HydrophobicContact CG-CE2 3.65Å; R38-Y42 PolarHBondContact NE-OH 3.1Å; R38-Y42 PolarHBondContact NH2-OH 3.38Å; R38-Y42 WeakPolarHBondContact O-CD2 3.47Å; R38-Y42 PolarHBondContact O-N 3.37Å; R38-Y42 VanDerWaalsContact O-N 3.09Å; F39-Y42 PolarHBondContact O-N 2.83Å; T40-Y42 PolarHBondContact O-N 3.29Å; Y42-R45 PolarHBondContact O-N 3.47Å; Y42-F46 VanDerWaalsContact O-CB 3.23Å; Y42-F46 WeakPolarHBondContact O-CB 3.37Å; Y42-F46 PolarHBondContact O-N 3.25Å
43A91.5Very high88.6Confident44 Ų4489.4 Ų89.436%0.36445%0.45SS..Hα-helixtrans-61.7-45.6175.400000111.9F39 T40 F46 L47F39-A43 PolarHBondContact O-N 3.05Å; T40-A43 PolarHBondContact O-N 2.91Å; A43-F46 PolarHBondContact O-N 3.47Å; A43-L47 PolarHBondContact O-N 3.1Å
44W87.4Confident89.1Confident154 Ų15490.6 Ų90.658%0.58343%0.432SS*.Hα-helixtrans-66.6-42.1175.9-73.9108.9000112W24 T40 F41 F46 L47 D48W24-W44 HydrophobicContact CH2-CB 3.94Å; W24-W44 HydrophobicContact CZ3-CB 4.42Å; T40-W44 PolarHBondContact O-N 3.28Å; F41-W44 PolarHBondContact O-N 3.42Å; W44-F46 VanDerWaalsContact C-N 3.31Å; W44-F46 PolarHBondContact O-N 2.84Å; W44-L47 PolarHBondContact O-N 3.07Å; W44-L47 VanDerWaalsContact O-N 3.16Å; W44-D48 WeakPolarHBondContact O-CB 3.36Å; W44-D48 PolarHBondContact O-N 3.21Å
45R89.8Confident89.6Confident88 Ų8892.6 Ų92.633%0.33244%0.44SS..Hα-helixtrans-65.1-35.1177.4-172.2161.1-178.7168.60.3112W24 E28 F41 Y42 L47 D48 I49W24-R45 HydrophobicContact CH2-CB 4.34Å; W24-R45 HydrophobicContact CZ3-CB 4.1Å; E28-R45 IonicContact OE2-NH1 3.59Å; F41-R45 VanDerWaalsContact O-CB 3.26Å; F41-R45 WeakPolarHBondContact O-CB 3.49Å; F41-R45 PolarHBondContact O-N 2.86Å; Y42-R45 PolarHBondContact O-N 3.47Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.63Å; R45-D48 PolarHBondContact O-N 3.07Å; R45-I49 HydrophobicContact CG-CD1 3.71Å; R45-I49 HydrophobicContact CG-CG1 4.12Å; R45-I49 WeakPolarHBondContact O-CB 3.4Å; R45-I49 WeakPolarHBondContact O-CD1 3.33Å; R45-I49 WeakPolarHBondContact O-CG1 3.25Å; R45-I49 PolarHBondContact O-N 2.86Å
46F92Very high89.9Confident157 Ų15787.7 Ų87.769%0.68942%0.419SS*.Hα-helixtrans-63-32.9173.9175.5-99000112.5Y42 A43 W44 P50Y42-F46 VanDerWaalsContact O-CB 3.23Å; Y42-F46 WeakPolarHBondContact O-CB 3.37Å; Y42-F46 PolarHBondContact O-N 3.25Å; A43-F46 PolarHBondContact O-N 3.47Å; W44-F46 VanDerWaalsContact C-N 3.31Å; W44-F46 PolarHBondContact O-N 2.84Å; F46-P50 WeakPolarHBondContact O-CD 3.26Å; F46-P50 VanDerWaalsContact O-CG 3.25Å; F46-P50 WeakPolarHBondContact O-CG 3.04Å
47L92.2Very high90.3Very high110 Ų11089.7 Ų89.758%0.57642%0.417SS*.Hα-helixtrans-82.2-37.5174.9-64.5175.1000112.6A43 W44 R45 P50 A51A43-L47 PolarHBondContact O-N 3.1Å; W44-L47 PolarHBondContact O-N 3.07Å; W44-L47 VanDerWaalsContact O-N 3.16Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.63Å; L47-P50 WeakPolarHBondContact O-CD 3.42Å; L47-P50 WeakPolarHBondContact O-CG 3.43Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.32Å
48D91.3Very high91.2Very high49 Ų4989.3 Ų89.326%0.26242%0.42SS..Hα-helixtrans-74.6-36.2-176-168.456.9000113.1W24 W44 R45 A51 T52W24-D48 VanDerWaalsContact CE2-OD2 3.32Å; W24-D48 HydrophobicContact CH2-CB 4.25Å; W24-D48 HydrophobicContact CZ2-CB 3.55Å; W24-D48 VanDerWaalsContact CZ2-OD2 3.3Å; W24-D48 WeakPolarHBondContact CZ2-OD2 3.25Å; W24-D48 PolarHBondContact NE1-OD2 3.36Å; W44-D48 WeakPolarHBondContact O-CB 3.36Å; W44-D48 PolarHBondContact O-N 3.21Å; R45-D48 PolarHBondContact O-N 3.07Å; D48-A51 PolarHBondContact O-N 2.57Å; D48-T52 WeakPolarHBondContact O-CB 3.08Å; D48-T52 WeakPolarHBondContact O-CG2 3.34Å; D48-T52 PolarHBondContact O-N 2.88Å; D48-T52 PolarHBondContact O-OG1 2.95Å
49I92.7Very high91.4Very high98 Ų9889.3 Ų89.350%0.50343%0.426SS..Hα-helixtrans-56.4-52.8177.3-69.6164.7000112.5R45 A51 T52 W53R45-I49 HydrophobicContact CG-CD1 3.71Å; R45-I49 HydrophobicContact CG-CG1 4.12Å; R45-I49 WeakPolarHBondContact O-CB 3.4Å; R45-I49 WeakPolarHBondContact O-CD1 3.33Å; R45-I49 WeakPolarHBondContact O-CG1 3.25Å; R45-I49 PolarHBondContact O-N 2.86Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 3.39Å; I49-T52 PolarHBondContact O-OG1 2.82Å; I49-W53 VanDerWaalsContact O-CB 3.31Å; I49-W53 WeakPolarHBondContact O-CB 3.26Å; I49-W53 PolarHBondContact O-N 3.37Å
50P95.9Very high91.3Very high69 Ų6984.1 Ų84.145%0.44840%0.404SS..Hα-helixtrans-67.5-33.6177.324.8-32.5000112.2F46 L47 F54F46-P50 WeakPolarHBondContact O-CD 3.26Å; F46-P50 VanDerWaalsContact O-CG 3.25Å; F46-P50 WeakPolarHBondContact O-CG 3.04Å; L47-P50 WeakPolarHBondContact O-CD 3.42Å; L47-P50 WeakPolarHBondContact O-CG 3.43Å; P50-F54 VanDerWaalsContact O-CB 3.3Å; P50-F54 WeakPolarHBondContact O-CB 3.44Å; P50-F54 PolarHBondContact O-N 2.97Å
51A93.3Very high91.4Very high55 Ų5583.8 Ų83.846%0.45540%0.403SS..Hα-helixtrans-67.1-44.9177.700000112.5L47 D48 I49 F54 R55L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.32Å; D48-A51 PolarHBondContact O-N 2.57Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 3.39Å; A51-F54 PolarHBondContact O-N 2.76Å; A51-R55 PolarHBondContact O-N 3.01Å
52T91.9Very high91.3Very high39 Ų3988.1 Ų88.124%0.23943%0.426CS..Hα-helixtrans-66.3-42.4175.550.80000111.2D48 I49 F54 R55 E56D48-T52 WeakPolarHBondContact O-CB 3.08Å; D48-T52 WeakPolarHBondContact O-CG2 3.34Å; D48-T52 PolarHBondContact O-N 2.88Å; D48-T52 PolarHBondContact O-OG1 2.95Å; I49-T52 PolarHBondContact O-OG1 2.82Å; T52-F54 VanDerWaalsContact C-N 3.33Å; T52-F54 PolarHBondContact O-N 2.7Å; T52-R55 PolarHBondContact O-N 3.21Å; T52-E56 WeakPolarHBondContact O-CB 2.93Å; T52-E56 WeakPolarHBondContact O-CG 3.31Å; T52-E56 PolarHBondContact O-N 3.42Å
53W93.9Very high91Very high148 Ų14886.9 Ų86.956%0.56142%0.424SS*.Hα-helixtrans-57-46.3171.9175.991.4000111.7I49 E56 K57 I58I49-W53 VanDerWaalsContact O-CB 3.31Å; I49-W53 WeakPolarHBondContact O-CB 3.26Å; I49-W53 PolarHBondContact O-N 3.37Å; W53-E56 PolarHBondContact O-N 3.27Å; W53-K57 HydrophobicContact CD2-CG 4.37Å; W53-K57 HydrophobicContact CG-CG 4.3Å; W53-K57 HydrophobicContact CZ2-CB 4.47Å; W53-K57 VanDerWaalsContact O-CB 3.28Å; W53-K57 WeakPolarHBondContact O-CB 3.34Å; W53-K57 WeakPolarHBondContact O-CG 3.2Å; W53-K57 PolarHBondContact O-N 2.93Å; W53-I58 HydrophobicContact CH2-CD1 4.19Å; W53-I58 HydrophobicContact CZ3-CD1 3.98Å
54F94.8Very high90.4Very high105 Ų10591.2 Ų91.246%0.46144%0.435SS..Hα-helixtrans-62.4-44.2177.9-176.6-93.9000111.6P50 A51 T52 I58 V59P50-F54 VanDerWaalsContact O-CB 3.3Å; P50-F54 WeakPolarHBondContact O-CB 3.44Å; P50-F54 PolarHBondContact O-N 2.97Å; A51-F54 PolarHBondContact O-N 2.76Å; T52-F54 VanDerWaalsContact C-N 3.33Å; T52-F54 PolarHBondContact O-N 2.7Å; F54-I58 HydrophobicContact CD2-CB 4.33Å; F54-I58 HydrophobicContact CD2-CD1 3.42Å; F54-I58 VanDerWaalsContact CD2-CD1 3.42Å; F54-I58 HydrophobicContact CD2-CG1 4.41Å; F54-I58 HydrophobicContact CE2-CB 4.23Å; F54-I58 HydrophobicContact CE2-CD1 3.52Å; F54-I58 HydrophobicContact CE2-CG1 4.47Å; F54-I58 HydrophobicContact CE2-CG2 4.12Å; F54-I58 HydrophobicContact CG-CD1 4.37Å; F54-I58 HydrophobicContact CZ-CG2 4.15Å; F54-I58 WeakPolarHBondContact O-CB 3.4Å; F54-I58 PolarHBondContact O-N 3.34Å; F54-V59 HydrophobicContact CD1-CG2 3.77Å; F54-V59 HydrophobicContact CE1-CG2 3.52Å; F54-V59 HydrophobicContact CZ-CG2 4.43Å; F54-V59 PolarHBondContact O-N 3.47Å
55R91.8Very high89.9Confident105 Ų10590.9 Ų90.940%0.39645%0.445SS..Iπ-helixtrans-58.2-50175.4-168.3-171.486.2-175.2-0.3111.4A51 T52 V59 E60A51-R55 PolarHBondContact O-N 3.01Å; T52-R55 PolarHBondContact O-N 3.21Å; R55-V59 PolarHBondContact O-N 2.88Å; R55-E60 HydrophobicContact CG-CG 4.42Å; R55-E60 IonicContact CZ-OE1 3.88Å; R55-E60 IonicContact NE-OE1 3.16Å; R55-E60 PolarHBondContact NE-OE1 2.68Å; R55-E60 VanDerWaalsContact NE-OE1 3.16Å; R55-E60 IonicContact NH2-OE1 2.71Å; R55-E60 WeakPolarHBondContact O-CB 3.48Å; R55-E60 WeakPolarHBondContact O-CG 3.43Å; R55-E60 PolarHBondContact O-N 3.26Å
56E90.5Very high89.4Confident69 Ų6995.9 Ų95.932%0.32246%0.464SS..Iπ-helixtrans-75.6-37.1-173.8-68.4-166164.600113.7K17 T52 W53 P61K17-E56 WeakPolarHBondContact CE-OE1 3.43Å; K17-E56 IonicContact NZ-OE1 2.82Å; K17-E56 PolarHBondContact NZ-OE1 3.32Å; K17-E56 IonicContact NZ-OE2 3.56Å; K17-E56 PolarHBondContact NZ-OE2 2.95Å; T52-E56 WeakPolarHBondContact O-CB 2.93Å; T52-E56 WeakPolarHBondContact O-CG 3.31Å; T52-E56 PolarHBondContact O-N 3.42Å; W53-E56 PolarHBondContact O-N 3.27Å; E56-P61 WeakPolarHBondContact O-CD 3.24Å
57K91.8Very high88.8Confident135 Ų13593.7 Ų93.759%0.58745%0.454SS*.Iπ-helixtrans-90.5-30.9-175.2-66.6-61.8-173.9179.40113.9W53 P61W53-K57 HydrophobicContact CD2-CG 4.37Å; W53-K57 HydrophobicContact CG-CG 4.3Å; W53-K57 HydrophobicContact CZ2-CB 4.47Å; W53-K57 VanDerWaalsContact O-CB 3.28Å; W53-K57 WeakPolarHBondContact O-CB 3.34Å; W53-K57 WeakPolarHBondContact O-CG 3.2Å; W53-K57 PolarHBondContact O-N 2.93Å; K57-P61 WeakPolarHBondContact O-CG 3.42Å
58I92.4Very high88.5Confident64 Ų6496.2 Ų96.233%0.32847%0.467SS..Iπ-helixtrans-111.7-57.9-173.9-64.3164.5000110.4W53 F54 L62W53-I58 HydrophobicContact CH2-CD1 4.19Å; W53-I58 HydrophobicContact CZ3-CD1 3.98Å; F54-I58 HydrophobicContact CD2-CB 4.33Å; F54-I58 HydrophobicContact CD2-CD1 3.42Å; F54-I58 VanDerWaalsContact CD2-CD1 3.42Å; F54-I58 HydrophobicContact CD2-CG1 4.41Å; F54-I58 HydrophobicContact CE2-CB 4.23Å; F54-I58 HydrophobicContact CE2-CD1 3.52Å; F54-I58 HydrophobicContact CE2-CG1 4.47Å; F54-I58 HydrophobicContact CE2-CG2 4.12Å; F54-I58 HydrophobicContact CG-CD1 4.37Å; F54-I58 HydrophobicContact CZ-CG2 4.15Å; F54-I58 WeakPolarHBondContact O-CB 3.4Å; F54-I58 PolarHBondContact O-N 3.34Å; I58-L62 HydrophobicContact CG2-CD1 3.85Å; I58-L62 WeakPolarHBondContact O-CB 3.46Å; I58-L62 VanDerWaalsContact O-CD1 3.28Å; I58-L62 WeakPolarHBondContact O-CD1 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.41Å; I58-L62 PolarHBondContact O-N 3.46Å
59V91.1Very high88.3Confident61 Ų6197.5 Ų97.537%0.3749%0.485SS..Iπ-helixtrans-69-51.7-171.2-177.90000112F54 R55 L62 Q63F54-V59 HydrophobicContact CD1-CG2 3.77Å; F54-V59 HydrophobicContact CE1-CG2 3.52Å; F54-V59 HydrophobicContact CZ-CG2 4.43Å; F54-V59 PolarHBondContact O-N 3.47Å; R55-V59 PolarHBondContact O-N 2.88Å; V59-L62 PolarHBondContact O-N 3.06Å; V59-Q63 WeakPolarHBondContact O-CB 3.22Å; V59-Q63 PolarHBondContact O-N 3.49Å
60E87Confident88.2Confident24 Ų24102 Ų10211%0.11250%0.501CS..Hα-helixtrans-62.9-44.2-174.6-77.4-175.8-147.600113.6K13 R55 Q63 K64K13-E60 IonicContact NZ-OE2 3.49Å; K13-E60 PolarHBondContact NZ-OE2 3.4Å; R55-E60 HydrophobicContact CG-CG 4.42Å; R55-E60 IonicContact CZ-OE1 3.88Å; R55-E60 IonicContact NE-OE1 3.16Å; R55-E60 PolarHBondContact NE-OE1 2.68Å; R55-E60 VanDerWaalsContact NE-OE1 3.16Å; R55-E60 IonicContact NH2-OE1 2.71Å; R55-E60 WeakPolarHBondContact O-CB 3.48Å; R55-E60 WeakPolarHBondContact O-CG 3.43Å; R55-E60 PolarHBondContact O-N 3.26Å; E60-Q63 PolarHBondContact O-N 3.41Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 2.74Å
61P88Confident88.1Confident53 Ų53108.2 Ų108.234%0.34452%0.517SS..Hα-helixtrans-64.3-42.8175.2-24.737000112.7E56 K57 Q63 K64E56-P61 WeakPolarHBondContact O-CD 3.24Å; K57-P61 WeakPolarHBondContact O-CG 3.42Å; P61-Q63 PolarHBondContact O-N 3.29Å; P61-K64 PolarHBondContact O-N 3.25Å
62L86.9Confident88.2Confident100 Ų100113.8 Ų113.852%0.52453%0.533SS..Hα-helixtrans-61.1-34.3175.7-74.6170.4000112.2I58 V59I58-L62 HydrophobicContact CG2-CD1 3.85Å; I58-L62 WeakPolarHBondContact O-CB 3.46Å; I58-L62 VanDerWaalsContact O-CD1 3.28Å; I58-L62 WeakPolarHBondContact O-CD1 3.28Å; I58-L62 WeakPolarHBondContact O-CG 3.41Å; I58-L62 PolarHBondContact O-N 3.46Å; V59-L62 PolarHBondContact O-N 3.06Å
63Q85.1Confident88.3Confident97 Ų97118.2 Ų118.245%0.45355%0.551SS.*Hα-helixtrans-77.3-34.1178.8-153.6-171.115.200112.2V59 E60 P61 D65 R66 K67V59-Q63 WeakPolarHBondContact O-CB 3.22Å; V59-Q63 PolarHBondContact O-N 3.49Å; E60-Q63 PolarHBondContact O-N 3.41Å; P61-Q63 PolarHBondContact O-N 3.29Å; Q63-D65 PolarHBondContact O-N 3.11Å; Q63-R66 PolarHBondContact O-N 3.27Å; Q63-K67 HydrophobicContact CG-CG 3.9Å; Q63-K67 WeakPolarHBondContact O-CG 3.4Å; Q63-K67 PolarHBondContact O-N 2.92Å; Q63-K67 VanDerWaalsContact O-N 3.15Å
64K78.8Confident88.4Confident135 Ų135119.8 Ų119.859%0.58756%0.562SS**Hα-helixtrans-50-45.6-176.8-82.6177.8-176.2-171.80112.3E60 P61E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 2.74Å; P61-K64 PolarHBondContact O-N 3.25Å
65D76Confident88.4Confident148 Ų148120.8 Ų120.879%0.79157%0.566SS**THydrogen-bonded Turntrans-86.7-9.5-174.6-55-24.6000113.3Q63Q63-D65 PolarHBondContact O-N 3.11Å
66R80.5Confident88.6Confident193 Ų193122.9 Ų122.973%0.72859%0.585SS**THydrogen-bonded Turntrans-124.313.1-169.2-57.1-176-173.8-162.41.9114.3Q63 L68Q63-R66 PolarHBondContact O-N 3.27Å; R66-L68 PolarHBondContact O-N 2.95Å; R66-L68 VanDerWaalsContact O-N 3.15Å
67K79.5Confident88.8Confident111 Ų111128.2 Ų128.248%0.48360%0.602SS.*  trans-69.4110.4176.9-82.5174-171.9-170.20110.5Q63Q63-K67 HydrophobicContact CG-CG 3.9Å; Q63-K67 WeakPolarHBondContact O-CG 3.4Å; Q63-K67 PolarHBondContact O-N 2.92Å; Q63-K67 VanDerWaalsContact O-N 3.15Å
68L85.1Confident89Confident162 Ų162123.6 Ų123.685%0.84859%0.585SS**  trans-75.1127167.2-64.9169.4000109R66 F70R66-L68 PolarHBondContact O-N 2.95Å; R66-L68 VanDerWaalsContact O-N 3.15Å; L68-F70 PolarHBondContact O-N 3.31Å
69A86.8Confident89.1Confident77 Ų77123.1 Ų123.164%0.63659%0.586SS**  trans-69.5127.9170.800000109.1Y71A69-Y71 HydrophobicContact CB-CE2 4.41Å
70F90.8Very high89.3Confident191 Ų191123.2 Ų123.284%0.83859%0.587SS**  trans-117.5148.9169.967.5-87.9000109L68L68-F70 PolarHBondContact O-N 3.31Å
71Y94.4Very high89.7Confident200 Ų200123.4 Ų123.478%0.78459%0.589SS**  trans-121.1145.3-178.6-56.2-78000109.6A69 Q73A69-Y71 HydrophobicContact CB-CE2 4.41Å; Y71-Q73 PolarHBondContact O-N 3.03Å
72H94.9Very high90Very high172 Ų172125.3 Ų125.380%0.79660%0.596SS**  trans-73.8121.3168.4-171.272.4000108.6K74H72-K74 PolarHBondContact O-N 2.96Å
73Q93.9Very high90.5Very high132 Ų132126.9 Ų126.962%0.61760%0.6SS**  trans-63.3129.4176.9-173.9170.38.500109.6Y71 F75Y71-Q73 PolarHBondContact O-N 3.03Å; Q73-F75 HydrophobicContact CB-CE2 4.49Å; Q73-F75 HydrophobicContact CG-CE1 4.05Å; Q73-F75 HydrophobicContact CG-CE2 4.02Å; Q73-F75 HydrophobicContact CG-CZ 3.75Å
74K95.9Very high90.9Very high182 Ų182123.1 Ų123.179%0.79159%0.585SS**  trans-108.2119.3175.5-64.2-177.5-178.3-179.70108.4H72H72-K74 PolarHBondContact O-N 2.96Å
75F95.1Very high91.7Very high125 Ų125120.1 Ų120.155%0.54858%0.579SS.*PPolyproline II helixtrans-92133.4172.2-60.7-77.2000109Q73 M101Q73-F75 HydrophobicContact CB-CE2 4.49Å; Q73-F75 HydrophobicContact CG-CE1 4.05Å; Q73-F75 HydrophobicContact CG-CE2 4.02Å; Q73-F75 HydrophobicContact CG-CZ 3.75Å; F75-M101 HydrophobicContact CD2-CE 4.37Å; F75-M101 HydrophobicContact CE2-CE 3.62Å; F75-M101 HydrophobicContact CZ-CE 3.94Å
76N95.3Very high92.5Very high149 Ų149120.5 Ų120.580%0.79759%0.586SS**PPolyproline II helixtrans-72154.6169.4-64.8-21.3000109.1
77R95.8Very high93.2Very high182 Ų182117.8 Ų117.869%0.68759%0.591SS**PPolyproline II helixtrans-75.4135.4174.5-63-61.5-179.6-1740.3109.6D102R77-D102 IonicContact CZ-OD1 3.9Å; R77-D102 IonicContact NH1-OD1 2.92Å; R77-D102 PolarHBondContact NH1-OD1 3.46Å; R77-D102 IonicContact NH1-OD2 3.57Å; R77-D102 IonicContact NH2-OD1 3.97Å
78V95.3Very high94Very high38 Ų38115.6 Ų115.623%0.2359%0.585CS.*PPolyproline II helixtrans-97.2153.4173.7174.70000107.5E94 Q98V78-E94 HydrophobicContact CB-CB 4.49Å; V78-E94 HydrophobicContact CG1-CB 3.44Å; V78-E94 VanDerWaalsContact CG1-CB 3.44Å; V78-E94 HydrophobicContact CG2-CB 4.32Å; V78-Q98 VanDerWaalsContact CB-OE1 3.29Å; V78-Q98 PolarHBondContact O-OE1 3.4Å
79P96Very high94.5Very high53 Ų53116.5 Ų116.534%0.34458%0.577SS.*PPolyproline II helixtrans-49.6142.3167.821.2-35.3000112.1E83P79-E83 WeakPolarHBondContact CA-OE2 3.39Å; P79-E83 HydrophobicContact CB-CB 4.29Å; P79-E83 WeakPolarHBondContact CB-OE2 3.42Å
80T94.8Very high95Very high64 Ų64117 Ų11739%0.39357%0.572SS.*PPolyproline II helixtrans-80.4163.4177.147.20000111D82 E83 C84T80-D82 WeakPolarHBondContact CB-OD1 3.4Å; T80-D82 PolarHBondContact O-N 2.8Å; T80-D82 PolarHBondContact OG1-OD1 2.89Å; T80-E83 PolarHBondContact O-N 3.27Å; T80-C84 PolarHBondContact O-N 2.82Å
81I95.3Very high95.2Very high28 Ų28108.6 Ų108.614%0.14454%0.537CS..THydrogen-bonded Turntrans-59.5-23.7-173.5-170.357.7000114.6E83 Y92 V158 Y162I81-E83 VanDerWaalsContact C-N 3.34Å; I81-Y92 HydrophobicContact CD1-CD2 3.51Å; I81-Y92 HydrophobicContact CD1-CE2 3.89Å; I81-Y92 HydrophobicContact CD1-CG 4.49Å; I81-V158 HydrophobicContact CB-CG1 3.43Å; I81-V158 VanDerWaalsContact CB-CG1 3.43Å; I81-V158 HydrophobicContact CG1-CG1 3.86Å; I81-V158 HydrophobicContact CG2-CG1 3.52Å; I81-Y162 HydrophobicContact CG2-CD1 4.23Å; I81-Y162 HydrophobicContact CG2-CD2 4.09Å; I81-Y162 HydrophobicContact CG2-CG 3.82Å
82D94.7Very high95.3Very high92 Ų92102.6 Ų102.649%0.49251%0.513SS..THydrogen-bonded Turntrans-75.5-22177.455.8-49.7000113.5T80 Y162T80-D82 WeakPolarHBondContact CB-OD1 3.4Å; T80-D82 PolarHBondContact O-N 2.8Å; T80-D82 PolarHBondContact OG1-OD1 2.89Å; D82-Y162 HydrophobicContact CB-CE2 3.78Å
83E95.5Very high95.4Very high133 Ų13398.1 Ų98.162%0.62149%0.493SS*.THydrogen-bonded Turntrans-89.3-24.3176.1-59.4179.2157.800111.9P79 T80 I81P79-E83 WeakPolarHBondContact CA-OE2 3.39Å; P79-E83 HydrophobicContact CB-CB 4.29Å; P79-E83 WeakPolarHBondContact CB-OE2 3.42Å; T80-E83 PolarHBondContact O-N 3.27Å; I81-E83 VanDerWaalsContact C-N 3.34Å
84C95.1Very high95.5Very high18 Ų1896.4 Ų96.412%0.12249%0.485CS..SBendtrans-69.3134-178.7-67.80000112.4T80 C91T80-C84 PolarHBondContact O-N 2.82Å; C84-C91 WeakPolarHBondContact CA-SG 3.23Å; C84-C91 HydrophobicContact CB-CB 3.8Å; C84-C91 WeakPolarHBondContact CB-SG 3.37Å; C84-C91 WeakPolarHBondContact SG-CB 3.18Å; C84-C91 PolarHBondContact SG-O 3.12Å; C84-C91 CovalentContact SG-SG 2.05Å; C84-C91 PolarHBondContact SG-SG 3.48Å
85P95Very high95.6Very high72 Ų7288 Ų8847%0.46845%0.449SS..  trans-70.9143.9171.326.9-28.5000110.8T87 D88P85-T87 PolarHBondContact O-N 2.85Å; P85-D88 HydrophobicContact CG-CB 3.64Å; P85-D88 PolarHBondContact O-N 3.08Å
86V93.9Very high95.6Very high156 Ų15682.9 Ų82.995%0.94543%0.427SS*.THydrogen-bonded Turntrans-57.9-28.4-172.7-177.70000113.2
87T94.9Very high95.6Very high136 Ų13684.2 Ų84.283%0.83442%0.421SS*.THydrogen-bonded Turntrans-86.2-16.5-178.553.80000113.9P85 R89P85-T87 PolarHBondContact O-N 2.85Å; T87-R89 PolarHBondContact O-N 3.08Å
88D96Very high95.6Very high65 Ų6577.1 Ų77.135%0.34840%0.396SS..  trans-88.5101.3-175.5-175.12.1000111.2P85 V90 C91 Y92P85-D88 HydrophobicContact CG-CB 3.64Å; P85-D88 PolarHBondContact O-N 3.08Å; D88-V90 VanDerWaalsContact C-N 3.32Å; D88-V90 WeakPolarHBondContact OD1-CB 3.29Å; D88-V90 PolarHBondContact OD1-N 2.93Å; D88-C91 HydrophobicContact CB-CB 4.24Å; D88-C91 PolarHBondContact OD1-N 3.37Å; D88-C91 WeakPolarHBondContact OD2-CB 3.46Å; D88-Y92 PolarHBondContact O-N 3.49Å
89R95.1Very high95.6Very high181 Ų18176.4 Ų76.468%0.68339%0.389SS*.Hα-helixtrans-68.9-29.5177.9-177.7173.7169.8173.5-2.8112.8T87 Y92 E93T87-R89 PolarHBondContact O-N 3.08Å; R89-Y92 PolarHBondContact O-N 3.3Å; R89-E93 HydrophobicContact CG-CG 4.29Å; R89-E93 IonicContact CZ-OE1 3.55Å; R89-E93 VanDerWaalsContact CZ-OE1 3.25Å; R89-E93 IonicContact NE-OE1 2.74Å; R89-E93 PolarHBondContact NE-OE1 3.16Å; R89-E93 IonicContact NH2-OE1 3.89Å; R89-E93 PolarHBondContact NH2-OE1 2.95Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.22Å
90V96.6Very high95.4Very high89 Ų8977.3 Ų77.354%0.53939%0.389SS..Hα-helixtrans-69.5-49.6-177.3-178.10000109.4D88 Y92 E93 E94D88-V90 VanDerWaalsContact C-N 3.32Å; D88-V90 WeakPolarHBondContact OD1-CB 3.29Å; D88-V90 PolarHBondContact OD1-N 2.93Å; V90-Y92 VanDerWaalsContact C-N 3.27Å; V90-Y92 PolarHBondContact O-N 3.29Å; V90-E93 PolarHBondContact O-N 3.11Å; V90-E94 WeakPolarHBondContact O-CG 3.49Å; V90-E94 PolarHBondContact O-N 3.11Å
91C96.4Very high95.2Very high14 Ų1477.9 Ų77.910%0.09539%0.388CS..Hα-helixtrans-56.5-42.9174.2-166.60000111.7C84 D88 E94 A95C84-C91 WeakPolarHBondContact CA-SG 3.23Å; C84-C91 HydrophobicContact CB-CB 3.8Å; C84-C91 WeakPolarHBondContact CB-SG 3.37Å; C84-C91 WeakPolarHBondContact SG-CB 3.18Å; C84-C91 PolarHBondContact SG-O 3.12Å; C84-C91 CovalentContact SG-SG 2.05Å; C84-C91 PolarHBondContact SG-SG 3.48Å; D88-C91 HydrophobicContact CB-CB 4.24Å; D88-C91 PolarHBondContact OD1-N 3.37Å; D88-C91 WeakPolarHBondContact OD2-CB 3.46Å; C91-E94 PolarHBondContact O-N 3.14Å; C91-A95 WeakPolarHBondContact O-CB 3.43Å; C91-A95 PolarHBondContact O-N 3.04Å
92Y96.4Very high95.2Very high73 Ų7378.5 Ų78.529%0.28639%0.392SS..Hα-helixtrans-58.8-48.6176.2-178.4-87000112.6I81 D88 R89 V90 A95 Q96 L159I81-Y92 HydrophobicContact CD1-CD2 3.51Å; I81-Y92 HydrophobicContact CD1-CE2 3.89Å; I81-Y92 HydrophobicContact CD1-CG 4.49Å; D88-Y92 PolarHBondContact O-N 3.49Å; R89-Y92 PolarHBondContact O-N 3.3Å; V90-Y92 VanDerWaalsContact C-N 3.27Å; V90-Y92 PolarHBondContact O-N 3.29Å; Y92-A95 PolarHBondContact O-N 3.12Å; Y92-Q96 VanDerWaalsContact O-CB 3.31Å; Y92-Q96 WeakPolarHBondContact O-CB 3.35Å; Y92-Q96 PolarHBondContact O-N 3.36Å; Y92-L159 HydrophobicContact CE2-CB 4.33Å
93E95.9Very high95Very high79 Ų7976.8 Ų76.837%0.36938%0.38SS..Hα-helixtrans-65.9-41.4-178.1-75-178.3178.300111.7R89 V90 Q96 W97R89-E93 HydrophobicContact CG-CG 4.29Å; R89-E93 IonicContact CZ-OE1 3.55Å; R89-E93 VanDerWaalsContact CZ-OE1 3.25Å; R89-E93 IonicContact NE-OE1 2.74Å; R89-E93 PolarHBondContact NE-OE1 3.16Å; R89-E93 IonicContact NH2-OE1 3.89Å; R89-E93 PolarHBondContact NH2-OE1 2.95Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.22Å; V90-E93 PolarHBondContact O-N 3.11Å; E93-Q96 WeakPolarHBondContact O-CB 3.33Å; E93-Q96 PolarHBondContact O-N 3.07Å; E93-W97 PolarHBondContact O-N 2.95Å
94E96.7Very high94.7Very high95 Ų9575.4 Ų75.444%0.44438%0.375SS..Hα-helixtrans-64.6-43.8176.9-64.5-178.2170.300111.9V78 V90 C91 Q96 W97 Q98V78-E94 HydrophobicContact CB-CB 4.49Å; V78-E94 HydrophobicContact CG1-CB 3.44Å; V78-E94 VanDerWaalsContact CG1-CB 3.44Å; V78-E94 HydrophobicContact CG2-CB 4.32Å; V90-E94 WeakPolarHBondContact O-CG 3.49Å; V90-E94 PolarHBondContact O-N 3.11Å; C91-E94 PolarHBondContact O-N 3.14Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.26Å; E94-W97 PolarHBondContact O-N 3.04Å; E94-Q98 PolarHBondContact O-N 3.43Å
95A97.1Very high94.6Very high6 Ų678.2 Ų78.25%0.0539%0.391CS..Hα-helixtrans-62.4-39.4174.900000111.7C91 Y92 Q98 Y99C91-A95 WeakPolarHBondContact O-CB 3.43Å; C91-A95 PolarHBondContact O-N 3.04Å; Y92-A95 PolarHBondContact O-N 3.12Å; A95-Q98 PolarHBondContact O-N 3.36Å; A95-Y99 PolarHBondContact O-N 3.49Å
96Q95.6Very high94.5Very high18 Ų1876.9 Ų76.98%0.08438%0.38CS..Hα-helixtrans-59-47.1174.3-176.477.813.400111.9Y92 E93 E94 Y99 H100 D157 V158Y92-Q96 VanDerWaalsContact O-CB 3.31Å; Y92-Q96 WeakPolarHBondContact O-CB 3.35Å; Y92-Q96 PolarHBondContact O-N 3.36Å; E93-Q96 WeakPolarHBondContact O-CB 3.33Å; E93-Q96 PolarHBondContact O-N 3.07Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.26Å; Q96-Y99 PolarHBondContact O-N 2.78Å; Q96-H100 PolarHBondContact NE2-CE1 3.13Å; Q96-H100 PolarHBondContact NE2-NE2 3.49Å; Q96-H100 PolarHBondContact O-CD2 3.36Å; Q96-H100 VanDerWaalsContact O-CD2 3.29Å; Q96-H100 PolarHBondContact O-N 2.93Å; Q96-H100 VanDerWaalsContact O-N 3.1Å; Q96-D157 PolarHBondContact NE2-OD1 3.41Å; Q96-V158 HydrophobicContact CB-CG2 4.35Å
97W95.5Very high94.2Very high177 Ų17769.5 Ų69.567%0.6734%0.335SS*.Hα-helixtrans-62.6-44.4176.8-78.8114.6000112.3E93 E94 Y99 H100 M101E93-W97 PolarHBondContact O-N 2.95Å; E94-W97 PolarHBondContact O-N 3.04Å; W97-Y99 VanDerWaalsContact C-N 3.32Å; W97-Y99 PolarHBondContact O-N 2.85Å; W97-H100 PolarHBondContact O-N 3.5Å; W97-M101 WeakPolarHBondContact O-CG 3.27Å; W97-M101 PolarHBondContact O-N 2.93Å; W97-M101 VanDerWaalsContact O-N 3.08Å
98Q96.1Very high93.9Very high33 Ų3367.5 Ų67.515%0.15432%0.315CS..Hα-helixtrans-58.4-44.5177.1-178.8172.5-29.300111.7V78 E94 A95 H100 M101 D102V78-Q98 VanDerWaalsContact CB-OE1 3.29Å; V78-Q98 PolarHBondContact O-OE1 3.4Å; E94-Q98 PolarHBondContact O-N 3.43Å; A95-Q98 PolarHBondContact O-N 3.36Å; Q98-H100 PolarHBondContact O-N 3.4Å; Q98-M101 PolarHBondContact O-N 2.71Å; Q98-D102 PolarHBondContact O-N 2.89Å
99Y94.3Very high93.7Very high22 Ų2268.1 Ų68.19%0.08632%0.318CS..Hα-helixtrans-63.2-39.8177.3165.9-101.1000113.9A95 Q96 W97 M101 D102 K103 Y149 V158 A161A95-Y99 PolarHBondContact O-N 3.49Å; Q96-Y99 PolarHBondContact O-N 2.78Å; W97-Y99 VanDerWaalsContact C-N 3.32Å; W97-Y99 PolarHBondContact O-N 2.85Å; Y99-M101 VanDerWaalsContact C-N 3.29Å; Y99-M101 PolarHBondContact O-N 3.03Å; Y99-D102 PolarHBondContact O-N 3.43Å; Y99-K103 VanDerWaalsContact O-CB 3.25Å; Y99-K103 WeakPolarHBondContact O-CB 3.37Å; Y99-K103 PolarHBondContact O-N 2.95Å; Y99-Y149 HydrophobicContact CD2-CE1 4.25Å; Y99-Y149 AromaticContact CE2-CD1 3.97Å; Y99-Y149 HydrophobicContact CE2-CD1 3.97Å; Y99-Y149 AromaticContact CE2-CE1 3.51Å; Y99-Y149 HydrophobicContact CE2-CE1 3.51Å; Y99-Y149 AromaticContact CZ-CD1 3.99Å; Y99-Y149 AromaticContact CZ-CE1 3.91Å; Y99-V158 HydrophobicContact CD1-CG2 3.45Å; Y99-V158 VanDerWaalsContact CD1-CG2 3.45Å; Y99-V158 HydrophobicContact CD2-CG2 4.05Å; Y99-V158 HydrophobicContact CE1-CG2 4.34Å; Y99-V158 HydrophobicContact CG-CB 4.43Å; Y99-V158 HydrophobicContact CG-CG2 3.28Å; Y99-A161 HydrophobicContact CE2-CB 3.63Å
100H91.6Very high93.3Very high72 Ų7259.7 Ų59.733%0.33329%0.286SS..Hα-helixtrans-62.7-39.9175.7-74.6-44.5000111.7Q96 W97 Q98 K103 M104Q96-H100 PolarHBondContact NE2-CE1 3.13Å; Q96-H100 PolarHBondContact NE2-NE2 3.49Å; Q96-H100 PolarHBondContact O-CD2 3.36Å; Q96-H100 VanDerWaalsContact O-CD2 3.29Å; Q96-H100 PolarHBondContact O-N 2.93Å; Q96-H100 VanDerWaalsContact O-N 3.1Å; W97-H100 PolarHBondContact O-N 3.5Å; Q98-H100 PolarHBondContact O-N 3.4Å; H100-K103 PolarHBondContact O-N 2.86Å; H100-M104 PolarHBondContact O-N 3.41Å
101M92.3Very high92.6Very high76 Ų7655.9 Ų55.937%0.37426%0.262SS..Hα-helixtrans-67-47175.8-64.3-61.1-81.200111.5F75 W97 Q98 Y99 K103 M104 V105F75-M101 HydrophobicContact CD2-CE 4.37Å; F75-M101 HydrophobicContact CE2-CE 3.62Å; F75-M101 HydrophobicContact CZ-CE 3.94Å; W97-M101 WeakPolarHBondContact O-CG 3.27Å; W97-M101 PolarHBondContact O-N 2.93Å; W97-M101 VanDerWaalsContact O-N 3.08Å; Q98-M101 PolarHBondContact O-N 2.71Å; Y99-M101 VanDerWaalsContact C-N 3.29Å; Y99-M101 PolarHBondContact O-N 3.03Å; M101-K103 VanDerWaalsContact C-N 3.29Å; M101-K103 PolarHBondContact O-N 3.45Å; M101-M104 WeakPolarHBondContact O-CB 3.35Å; M101-M104 PolarHBondContact O-N 2.94Å; M101-M104 VanDerWaalsContact O-N 3.12Å; M101-V105 WeakPolarHBondContact O-CG2 3.47Å; M101-V105 PolarHBondContact O-N 3.45Å
102D94.7Very high92.2Very high42 Ų4259.5 Ų59.523%0.22528%0.28CS..Hα-helixtrans-61.9-37.8177.2-72.4-26.9000111.2R77 Q98 Y99 M104 V105 D106R77-D102 IonicContact CZ-OD1 3.9Å; R77-D102 IonicContact NH1-OD1 2.92Å; R77-D102 PolarHBondContact NH1-OD1 3.46Å; R77-D102 IonicContact NH1-OD2 3.57Å; R77-D102 IonicContact NH2-OD1 3.97Å; Q98-D102 PolarHBondContact O-N 2.89Å; Y99-D102 PolarHBondContact O-N 3.43Å; D102-M104 PolarHBondContact O-N 2.89Å; D102-V105 PolarHBondContact O-N 3.2Å; D102-D106 WeakPolarHBondContact O-CB 3.3Å; D102-D106 VanDerWaalsContact O-CG 3.23Å; D102-D106 PolarHBondContact O-N 3.16Å
103K90.8Very high91.9Very high56 Ų5657.1 Ų57.124%0.24327%0.272CS..Hα-helixtrans-62.5-40.7173.5-177.5177.8178.6-177.90112.5Y99 H100 M101 G107 Y149Y99-K103 VanDerWaalsContact O-CB 3.25Å; Y99-K103 WeakPolarHBondContact O-CB 3.37Å; Y99-K103 PolarHBondContact O-N 2.95Å; H100-K103 PolarHBondContact O-N 2.86Å; M101-K103 VanDerWaalsContact C-N 3.29Å; M101-K103 PolarHBondContact O-N 3.45Å; K103-G107 PolarHBondContact O-N 2.98Å; K103-G107 VanDerWaalsContact O-N 3.11Å; K103-Y149 VanDerWaalsContact CA-OH 3.25Å; K103-Y149 WeakPolarHBondContact CA-OH 3.39Å; K103-Y149 HydrophobicContact CB-CD1 4.28Å; K103-Y149 HydrophobicContact CB-CE1 3.62Å; K103-Y149 HydrophobicContact CB-CE2 4.44Å; K103-Y149 HydrophobicContact CD-CD1 3.83Å; K103-Y149 HydrophobicContact CD-CE1 4.02Å; K103-Y149 HydrophobicContact CD-CG 4.35Å; K103-Y149 HydrophobicContact CG-CD1 3.82Å; K103-Y149 HydrophobicContact CG-CD2 4.34Å; K103-Y149 HydrophobicContact CG-CE1 3.66Å; K103-Y149 HydrophobicContact CG-CE2 4.2Å; K103-Y149 HydrophobicContact CG-CG 4.14Å; K103-Y149 PolarHBondContact N-OH 2.82Å
104M89Confident91.3Very high104 Ų10456.9 Ų56.951%0.51227%0.268SS..Hα-helixtrans-64.8-45.6175.6-174.4-174.9-68.600111H100 M101 D102 G107 F108H100-M104 PolarHBondContact O-N 3.41Å; M101-M104 WeakPolarHBondContact O-CB 3.35Å; M101-M104 PolarHBondContact O-N 2.94Å; M101-M104 VanDerWaalsContact O-N 3.12Å; D102-M104 PolarHBondContact O-N 2.89Å; M104-G107 PolarHBondContact O-N 3.43Å; M104-F108 HydrophobicContact CG-CD2 4.07Å; M104-F108 HydrophobicContact CG-CE2 3.56Å; M104-F108 HydrophobicContact CG-CZ 4.46Å; M104-F108 VanDerWaalsContact O-CD2 3.23Å; M104-F108 WeakPolarHBondContact O-CD2 3.38Å; M104-F108 PolarHBondContact O-N 3.13Å; M104-F108 VanDerWaalsContact O-N 3.11Å; M104-F108 HydrophobicContact SD-CE2 4.04Å
105V92.5Very high90.7Very high77 Ų7754.5 Ų54.547%0.46726%0.258SS..Hα-helixtrans-61.5-47.1177.7172.80000111.3M101 D102 G107 F108 I109M101-V105 WeakPolarHBondContact O-CG2 3.47Å; M101-V105 PolarHBondContact O-N 3.45Å; D102-V105 PolarHBondContact O-N 3.2Å; V105-G107 PolarHBondContact O-N 3.47Å; V105-F108 PolarHBondContact O-N 3.27Å; V105-F108 VanDerWaalsContact O-N 3.07Å; V105-I109 HydrophobicContact CG1-CD1 4.06Å; V105-I109 HydrophobicContact CG1-CG1 4.5Å; V105-I109 WeakPolarHBondContact O-CG1 3.47Å; V105-I109 PolarHBondContact O-N 2.97Å
106D93.8Very high90.3Very high44 Ų4461 Ų6124%0.23528%0.281CS..Hα-helixtrans-59-36.3176.9-72.4-21.7000111.6D102 I109 L110 Y145 K148 Y149D102-D106 WeakPolarHBondContact O-CB 3.3Å; D102-D106 VanDerWaalsContact O-CG 3.23Å; D102-D106 PolarHBondContact O-N 3.16Å; D106-I109 PolarHBondContact O-N 3.37Å; D106-L110 PolarHBondContact O-N 3.11Å; D106-L110 VanDerWaalsContact O-N 3.12Å; D106-Y145 HydrophobicContact CB-CD2 3.99Å; D106-Y145 HydrophobicContact CB-CE2 4.03Å; D106-K148 IonicContact OD2-NZ 3.25Å; D106-K148 PolarHBondContact OD2-NZ 3.2Å; D106-Y149 HydrophobicContact CB-CE2 3.87Å; D106-Y149 WeakPolarHBondContact OD2-CE2 3.26Å; D106-Y149 PolarHBondContact OD2-OH 3.36Å
107G86.6Confident89.8Confident0 Ų061.7 Ų61.70%029%0.285CS..Hα-helixtrans-62.1-44.117300000113.7K103 M104 V105 I109 L110 D111 I216K103-G107 PolarHBondContact O-N 2.98Å; K103-G107 VanDerWaalsContact O-N 3.11Å; M104-G107 PolarHBondContact O-N 3.43Å; V105-G107 PolarHBondContact O-N 3.47Å; G107-I109 VanDerWaalsContact C-N 3.35Å; G107-L110 WeakPolarHBondContact O-CB 3.23Å; G107-L110 PolarHBondContact O-N 3.38Å; G107-D111 PolarHBondContact O-N 2.97Å; G107-I216 VanDerWaalsContact CA-CD1 3.46Å
108F88.4Confident89.1Confident95 Ų9558.4 Ų58.442%0.41727%0.272SS..Hα-helixtrans-67.9-33.9175.2-71.9-58.8000112.7M104 V105 L110 D111 I112 I216M104-F108 HydrophobicContact CG-CD2 4.07Å; M104-F108 HydrophobicContact CG-CE2 3.56Å; M104-F108 HydrophobicContact CG-CZ 4.46Å; M104-F108 VanDerWaalsContact O-CD2 3.23Å; M104-F108 WeakPolarHBondContact O-CD2 3.38Å; M104-F108 PolarHBondContact O-N 3.13Å; M104-F108 VanDerWaalsContact O-N 3.11Å; M104-F108 HydrophobicContact SD-CE2 4.04Å; V105-F108 PolarHBondContact O-N 3.27Å; V105-F108 VanDerWaalsContact O-N 3.07Å; F108-L110 VanDerWaalsContact C-N 3.33Å; F108-L110 PolarHBondContact O-N 3.08Å; F108-D111 PolarHBondContact O-N 3.04Å; F108-I112 WeakPolarHBondContact O-CG1 3.31Å; F108-I112 PolarHBondContact O-N 3.31Å; F108-I216 HydrophobicContact CD1-CG2 3.99Å; F108-I216 HydrophobicContact CE1-CG2 4Å; F108-I216 HydrophobicContact CG-CG2 4.39Å; F108-I216 HydrophobicContact CZ-CG2 4.43Å
109I91.7Very high88.6Confident78 Ų7860.2 Ų60.240%0.428%0.283SS..Hα-helixtrans-59.9-45.8173.8-68.6169.2000110.2V105 D106 G107 D111 I112 L113V105-I109 HydrophobicContact CG1-CD1 4.06Å; V105-I109 HydrophobicContact CG1-CG1 4.5Å; V105-I109 WeakPolarHBondContact O-CG1 3.47Å; V105-I109 PolarHBondContact O-N 2.97Å; D106-I109 PolarHBondContact O-N 3.37Å; G107-I109 VanDerWaalsContact C-N 3.35Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 2.9Å; I109-I112 PolarHBondContact O-N 3.47Å; I109-L113 HydrophobicContact CG2-CD1 4.22Å; I109-L113 WeakPolarHBondContact O-CG 3.36Å; I109-L113 PolarHBondContact O-N 3.43Å
110L87.2Confident88.2Confident4 Ų460.1 Ų60.12%0.02129%0.285CS..Hα-helixtrans-59.7-42.1175.4-73.2-175.7000112.9D106 G107 F108 I112 L113 R114 A141 Y145D106-L110 PolarHBondContact O-N 3.11Å; D106-L110 VanDerWaalsContact O-N 3.12Å; G107-L110 WeakPolarHBondContact O-CB 3.23Å; G107-L110 PolarHBondContact O-N 3.38Å; F108-L110 VanDerWaalsContact C-N 3.33Å; F108-L110 PolarHBondContact O-N 3.08Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 2.96Å; L110-L113 PolarHBondContact O-N 3.11Å; L110-R114 WeakPolarHBondContact O-CB 3.45Å; L110-R114 PolarHBondContact O-N 3.47Å; L110-A141 VanDerWaalsContact CD2-C 3.44Å; L110-A141 HydrophobicContact CD2-CB 3.59Å; L110-Y145 HydrophobicContact CD1-CD1 3.63Å; L110-Y145 HydrophobicContact CD1-CD2 3.55Å; L110-Y145 HydrophobicContact CD1-CE1 4.16Å; L110-Y145 HydrophobicContact CD1-CE2 4.11Å; L110-Y145 HydrophobicContact CD1-CG 3.31Å; L110-Y145 HydrophobicContact CG-CD2 4.19Å; L110-Y145 HydrophobicContact CG-CG 4.24Å
111D81.4Confident87.7Confident8 Ų863.1 Ų63.14%0.04329%0.294CS..Hα-helixtrans-65-38.3178.7-80.1-9.6000111.7G107 F108 I109 R114 N115 I216 S217G107-D111 PolarHBondContact O-N 2.97Å; F108-D111 PolarHBondContact O-N 3.04Å; I109-D111 VanDerWaalsContact C-N 3.33Å; I109-D111 PolarHBondContact O-N 2.9Å; D111-R114 PolarHBondContact O-N 3.15Å; D111-R114 IonicContact OD1-CZ 3.6Å; D111-R114 IonicContact OD1-NH1 3.44Å; D111-R114 PolarHBondContact OD1-NH1 3.13Å; D111-R114 IonicContact OD1-NH2 2.89Å; D111-N115 WeakPolarHBondContact O-CB 3.35Å; D111-N115 VanDerWaalsContact O-CG 3.3Å; D111-N115 PolarHBondContact O-N 3.15Å; D111-N115 PolarHBondContact O-ND2 3.25Å; D111-I216 VanDerWaalsContact OD2-C 3.27Å; D111-S217 WeakPolarHBondContact OD2-CB 3.45Å; D111-S217 PolarHBondContact OD2-N 2.79Å; D111-S217 PolarHBondContact OD2-OG 2.85Å
112I88.6Confident87.1Confident91 Ų9163.1 Ų63.147%0.46730%0.298SS..Hα-helixtrans-61.9-47.3173.8-67.9165.2000110.6F108 I109 L110 N115 R116F108-I112 WeakPolarHBondContact O-CG1 3.31Å; F108-I112 PolarHBondContact O-N 3.31Å; I109-I112 PolarHBondContact O-N 3.47Å; L110-I112 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 2.96Å; I112-N115 PolarHBondContact O-N 3.42Å; I112-R116 WeakPolarHBondContact O-CG 3.48Å; I112-R116 PolarHBondContact O-N 3.31Å
113L89.9Confident86.6Confident22 Ų2267 Ų6712%0.11531%0.31CS..Hα-helixtrans-64.6-40.3178.8-67.9174.3000111.8I109 L110 N115 R116 M117 E137 F138 A141I109-L113 HydrophobicContact CG2-CD1 4.22Å; I109-L113 WeakPolarHBondContact O-CG 3.36Å; I109-L113 PolarHBondContact O-N 3.43Å; L110-L113 PolarHBondContact O-N 3.11Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 2.93Å; L113-R116 WeakPolarHBondContact O-CB 3.46Å; L113-R116 PolarHBondContact O-N 2.95Å; L113-M117 PolarHBondContact O-N 3.47Å; L113-E137 HydrophobicContact CD2-CB 4.41Å; L113-F138 HydrophobicContact CB-CB 4.47Å; L113-F138 HydrophobicContact CB-CD2 4.07Å; L113-A141 HydrophobicContact CD1-CB 3.33Å
114R84.2Confident86.2Confident74 Ų7468.7 Ų68.728%0.27932%0.316SS..Hα-helixtrans-59.5-44.3174.2-169.4-175.8-64.2133.19.1111.5L110 D111 M117 R118 F138L110-R114 WeakPolarHBondContact O-CB 3.45Å; L110-R114 PolarHBondContact O-N 3.47Å; D111-R114 PolarHBondContact O-N 3.15Å; D111-R114 IonicContact OD1-CZ 3.6Å; D111-R114 IonicContact OD1-NH1 3.44Å; D111-R114 PolarHBondContact OD1-NH1 3.13Å; D111-R114 IonicContact OD1-NH2 2.89Å; R114-M117 HydrophobicContact CG-CE 4.44Å; R114-M117 PolarHBondContact O-N 3.06Å; R114-R118 WeakPolarHBondContact O-CB 3.38Å; R114-R118 PolarHBondContact O-N 2.86Å; R114-F138 HydrophobicContact CB-CD2 4.1Å; R114-F138 HydrophobicContact CB-CE2 3.66Å; R114-F138 HydrophobicContact CB-CZ 4.4Å; R114-F138 HydrophobicContact CG-CE2 4.08Å; R114-F138 HydrophobicContact CG-CZ 4.33Å
115N83.1Confident85.7Confident45 Ų4564.4 Ų64.424%0.24130%0.299CS..Hα-helixtrans-65.1-40.4177.3-74.4-24.9000111.5D111 I112 L113 R118 N119D111-N115 WeakPolarHBondContact O-CB 3.35Å; D111-N115 VanDerWaalsContact O-CG 3.3Å; D111-N115 PolarHBondContact O-N 3.15Å; D111-N115 PolarHBondContact O-ND2 3.25Å; I112-N115 PolarHBondContact O-N 3.42Å; L113-N115 VanDerWaalsContact C-N 3.33Å; L113-N115 PolarHBondContact O-N 2.93Å; N115-R118 PolarHBondContact O-N 2.99Å; N115-N119 VanDerWaalsContact O-CB 3.26Å; N115-N119 WeakPolarHBondContact O-CB 3.46Å; N115-N119 PolarHBondContact O-N 3.5Å; N115-N119 PolarHBondContact O-OD1 3.23Å
116R88.8Confident84.8Confident144 Ų14467.9 Ų67.954%0.54331%0.314SS..Hα-helixtrans-59.8-47.9173.9-73.3177.3177.6-179.60.1112.1I112 L113 N119 C120I112-R116 WeakPolarHBondContact O-CG 3.48Å; I112-R116 PolarHBondContact O-N 3.31Å; L113-R116 WeakPolarHBondContact O-CB 3.46Å; L113-R116 PolarHBondContact O-N 2.95Å; R116-N119 PolarHBondContact O-N 3.42Å; R116-C120 WeakPolarHBondContact O-CB 3.36Å; R116-C120 PolarHBondContact O-N 3.25Å
117M85.5Confident84.2Confident32 Ų3269.3 Ų69.316%0.15832%0.32CS..Hα-helixtrans-59.3-48176.2-179-16469.800111.4L113 R114 N119 C120 R121 C134 F135 F138L113-M117 PolarHBondContact O-N 3.47Å; R114-M117 HydrophobicContact CG-CE 4.44Å; R114-M117 PolarHBondContact O-N 3.06Å; M117-N119 PolarHBondContact O-N 3.17Å; M117-C120 PolarHBondContact O-N 3.44Å; M117-R121 PolarHBondContact O-N 3.3Å; M117-C134 HydrophobicContact CB-CB 4.39Å; M117-F135 HydrophobicContact CG-CD1 3.51Å; M117-F135 HydrophobicContact CG-CE1 3.48Å; M117-F135 VanDerWaalsContact CG-CE1 3.48Å; M117-F135 HydrophobicContact CG-CG 4.34Å; M117-F135 HydrophobicContact CG-CZ 4.31Å; M117-F135 HydrophobicContact SD-CD1 3.44Å; M117-F135 WeakPolarHBondContact SD-CD1 3.41Å; M117-F135 HydrophobicContact SD-CE1 3.58Å; M117-F135 VanDerWaalsContact SD-CE1 3.58Å; M117-F138 HydrophobicContact CE-CD1 4.19Å; M117-F138 HydrophobicContact CE-CE1 4.25Å; M117-F138 HydrophobicContact SD-CB 4.28Å; M117-F138 HydrophobicContact SD-CD1 3.58Å; M117-F138 VanDerWaalsContact SD-CD1 3.58Å; M117-F138 HydrophobicContact SD-CE1 4.18Å; M117-F138 HydrophobicContact SD-CG 4.01Å
118R81.4Confident83.7Confident107 Ų10771 Ų7140%0.40433%0.329SS..Hα-helixtrans-60.1-46.8176.8-177.3-179.2177.4175.2-0.2111.6R114 N115 C120 R121 V122R114-R118 WeakPolarHBondContact O-CB 3.38Å; R114-R118 PolarHBondContact O-N 2.86Å; N115-R118 PolarHBondContact O-N 2.99Å; R118-C120 VanDerWaalsContact C-N 3.35Å; R118-C120 PolarHBondContact O-N 2.95Å; R118-R121 PolarHBondContact O-N 2.89Å; R118-V122 HydrophobicContact CG-CG2 4.42Å; R118-V122 VanDerWaalsContact O-CG2 3.29Å; R118-V122 WeakPolarHBondContact O-CG2 3.33Å; R118-V122 PolarHBondContact O-N 2.75Å
119N83.9Confident83.5Confident72 Ų7271.8 Ų71.839%0.38533%0.33SS..Hα-helixtrans-64.9-40.8-178.8-69.81.3000111.2N115 R116 M117 V122 Y123 D223N115-N119 VanDerWaalsContact O-CB 3.26Å; N115-N119 WeakPolarHBondContact O-CB 3.46Å; N115-N119 PolarHBondContact O-N 3.5Å; N115-N119 PolarHBondContact O-OD1 3.23Å; R116-N119 PolarHBondContact O-N 3.42Å; M117-N119 PolarHBondContact O-N 3.17Å; N119-V122 PolarHBondContact O-N 2.85Å; N119-Y123 VanDerWaalsContact O-CB 3.28Å; N119-Y123 WeakPolarHBondContact O-CB 3.49Å; N119-Y123 PolarHBondContact O-N 3.32Å; N119-D223 PolarHBondContact OD1-OD2 2.96Å
120C86.8Confident83.3Confident19 Ų1972.4 Ų72.413%0.12833%0.33CS..Hα-helixtrans-59.5-49174-171.20000111.2R116 M117 R118 V122 Y123 Y124 C131 C134R116-C120 WeakPolarHBondContact O-CB 3.36Å; R116-C120 PolarHBondContact O-N 3.25Å; M117-C120 PolarHBondContact O-N 3.44Å; R118-C120 VanDerWaalsContact C-N 3.35Å; R118-C120 PolarHBondContact O-N 2.95Å; C120-V122 VanDerWaalsContact C-N 3.34Å; C120-V122 PolarHBondContact O-N 3.35Å; C120-Y123 PolarHBondContact O-N 2.74Å; C120-Y123 VanDerWaalsContact O-N 3.13Å; C120-Y124 WeakPolarHBondContact O-CD2 3.44Å; C120-Y124 PolarHBondContact O-N 3.29Å; C120-C131 HydrophobicContact CB-CB 3.98Å; C120-C131 WeakPolarHBondContact CB-SG 3.37Å; C120-C131 PolarHBondContact O-SG 3.14Å; C120-C131 VanDerWaalsContact O-SG 3.37Å; C120-C131 WeakPolarHBondContact SG-CA 3.45Å; C120-C131 WeakPolarHBondContact SG-CB 3.44Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.29Å; C120-C134 HydrophobicContact CB-CB 4.42Å
121R81.1Confident83.4Confident135 Ų13572.3 Ų72.351%0.50933%0.329SS..Hα-helixtrans-62.7-39.3178.1-171.1176-175.3-172.20.9112.5M117 R118 Y123 G125 D128M117-R121 PolarHBondContact O-N 3.3Å; R118-R121 PolarHBondContact O-N 2.89Å; R121-Y123 VanDerWaalsContact C-N 3.33Å; R121-G125 VanDerWaalsContact O-CA 3.25Å; R121-G125 WeakPolarHBondContact O-CA 3.5Å; R121-G125 PolarHBondContact O-N 2.91Å; R121-D128 IonicContact NE-OD1 3.11Å
122V80.3Confident83.8Confident76 Ų7672.7 Ų72.746%0.46133%0.333SS..Hα-helixtrans-64.9-39.9174.6170.40000111R118 N119 C120R118-V122 HydrophobicContact CG-CG2 4.42Å; R118-V122 VanDerWaalsContact O-CG2 3.29Å; R118-V122 WeakPolarHBondContact O-CG2 3.33Å; R118-V122 PolarHBondContact O-N 2.75Å; N119-V122 PolarHBondContact O-N 2.85Å; C120-V122 VanDerWaalsContact C-N 3.34Å; C120-V122 PolarHBondContact O-N 3.35Å
123Y83.1Confident84Confident124 Ų12475.4 Ų75.449%0.48634%0.342SS..Hα-helixtrans-68.6-47.3-178.9-175.7-97000112.7N119 C120 R121 N234N119-Y123 VanDerWaalsContact O-CB 3.28Å; N119-Y123 WeakPolarHBondContact O-CB 3.49Å; N119-Y123 PolarHBondContact O-N 3.32Å; C120-Y123 PolarHBondContact O-N 2.74Å; C120-Y123 VanDerWaalsContact O-N 3.13Å; R121-Y123 VanDerWaalsContact C-N 3.33Å; Y123-N234 HydrophobicContact CE2-CB 4.23Å; Y123-N234 PolarHBondContact O-ND2 3.02Å
124Y83.1Confident84Confident91 Ų9175.9 Ų75.936%0.35735%0.347SS..Hα-helixtrans-91.1-10.4-178.8-67.1-68.2000114.1C120 N126 K130 C131C120-Y124 WeakPolarHBondContact O-CD2 3.44Å; C120-Y124 PolarHBondContact O-N 3.29Å; Y124-N126 PolarHBondContact O-N 2.04Å; Y124-K130 HydrophobicContact CD1-CB 4.05Å; Y124-K130 HydrophobicContact CD1-CD 3.29Å; Y124-K130 HydrophobicContact CD1-CG 4.29Å; Y124-K130 HydrophobicContact CD2-CB 3.87Å; Y124-K130 HydrophobicContact CE1-CB 4.18Å; Y124-K130 HydrophobicContact CE1-CD 3.45Å; Y124-K130 VanDerWaalsContact CE1-CD 3.45Å; Y124-K130 HydrophobicContact CE1-CG 4.42Å; Y124-K130 HydrophobicContact CE2-CB 3.99Å; Y124-K130 HydrophobicContact CG-CB 3.87Å; Y124-K130 HydrophobicContact CG-CD 3.93Å; Y124-C131 VanDerWaalsContact CD2-SG 3.6Å
125G78.1Confident84.2Confident15 Ų1572.5 Ų72.516%0.15533%0.334CS..THydrogen-bonded Turntrans72.9-109.5178.300000112.8R121R121-G125 VanDerWaalsContact O-CA 3.25Å; R121-G125 WeakPolarHBondContact O-CA 3.5Å; R121-G125 PolarHBondContact O-N 2.91Å
126N73.2Confident84.6Confident149 Ų14971.7 Ų71.780%0.79733%0.33SS*.THydrogen-bonded Turntrans-97.20.1-175.8-61.4-9.8000112.6Y124 D128Y124-N126 PolarHBondContact O-N 2.04Å; N126-D128 VanDerWaalsContact C-N 3.32Å; N126-D128 PolarHBondContact O-N 3.1Å; N126-D128 VanDerWaalsContact O-N 3.14Å
127E81.7Confident84.7Confident74 Ų7467.9 Ų67.935%0.34632%0.318SS..  trans-87.966.2-178.2-62.4-179.4143.100111.1Y129 K130E127-Y129 HydrophobicContact CB-CD1 4.09Å; E127-Y129 HydrophobicContact CB-CE1 3.59Å; E127-Y129 HydrophobicContact CG-CE1 3.94Å; E127-Y129 PolarHBondContact O-N 3.4Å; E127-Y129 VanDerWaalsContact O-N 3.14Å; E127-K130 HydrophobicContact CB-CD 4.32Å; E127-K130 HydrophobicContact CB-CG 4.46Å; E127-K130 PolarHBondContact O-N 3.3Å; E127-K130 VanDerWaalsContact O-N 3.14Å; E127-K130 IonicContact OE1-NZ 2.98Å; E127-K130 WeakPolarHBondContact OE2-CD 3.36Å; E127-K130 VanDerWaalsContact OE2-CE 3.24Å; E127-K130 WeakPolarHBondContact OE2-CE 3.3Å; E127-K130 IonicContact OE2-NZ 2.85Å; E127-K130 PolarHBondContact OE2-NZ 3.03Å
128D76.5Confident84.9Confident37 Ų3766.8 Ų66.820%0.19831%0.312CS..G310 helixtrans-60.9-26.2-173.1-72-29000113.1R121 N126 K130 C131 A132 F135R121-D128 IonicContact NE-OD1 3.11Å; N126-D128 VanDerWaalsContact C-N 3.32Å; N126-D128 PolarHBondContact O-N 3.1Å; N126-D128 VanDerWaalsContact O-N 3.14Å; D128-K130 PolarHBondContact O-N 3.34Å; D128-C131 CarbonylContact O-C 3.46Å; D128-C131 WeakPolarHBondContact O-CA 3.34Å; D128-C131 WeakPolarHBondContact O-CB 3.07Å; D128-C131 PolarHBondContact O-N 3.13Å; D128-A132 PolarHBondContact O-N 3.23Å; D128-F135 HydrophobicContact CB-CE2 4.09Å
129Y84.6Confident85.2Confident111 Ų11162.2 Ų62.244%0.43530%0.296SS..G310 helixtrans-57.1-33.8176.168-87.3000113.4E127 C131 A132 G196E127-Y129 HydrophobicContact CB-CD1 4.09Å; E127-Y129 HydrophobicContact CB-CE1 3.59Å; E127-Y129 HydrophobicContact CG-CE1 3.94Å; E127-Y129 PolarHBondContact O-N 3.4Å; E127-Y129 VanDerWaalsContact O-N 3.14Å; Y129-C131 PolarHBondContact O-N 3.27Å; Y129-A132 WeakPolarHBondContact O-CB 3.01Å; Y129-A132 PolarHBondContact O-N 3Å; Y129-G196 VanDerWaalsContact CB-CA 3.46Å
130K87.8Confident85.6Confident91 Ų9162.6 Ų62.640%0.39630%0.295SS..G310 helixtrans-68.9-21.2177.1-65.3-175.2178.4166.30112.2Y124 E127 D128Y124-K130 HydrophobicContact CD1-CB 4.05Å; Y124-K130 HydrophobicContact CD1-CD 3.29Å; Y124-K130 HydrophobicContact CD1-CG 4.29Å; Y124-K130 HydrophobicContact CD2-CB 3.87Å; Y124-K130 HydrophobicContact CE1-CB 4.18Å; Y124-K130 HydrophobicContact CE1-CD 3.45Å; Y124-K130 VanDerWaalsContact CE1-CD 3.45Å; Y124-K130 HydrophobicContact CE1-CG 4.42Å; Y124-K130 HydrophobicContact CE2-CB 3.99Å; Y124-K130 HydrophobicContact CG-CB 3.87Å; Y124-K130 HydrophobicContact CG-CD 3.93Å; E127-K130 HydrophobicContact CB-CD 4.32Å; E127-K130 HydrophobicContact CB-CG 4.46Å; E127-K130 PolarHBondContact O-N 3.3Å; E127-K130 VanDerWaalsContact O-N 3.14Å; E127-K130 IonicContact OE1-NZ 2.98Å; E127-K130 WeakPolarHBondContact OE2-CD 3.36Å; E127-K130 VanDerWaalsContact OE2-CE 3.24Å; E127-K130 WeakPolarHBondContact OE2-CE 3.3Å; E127-K130 IonicContact OE2-NZ 2.85Å; E127-K130 PolarHBondContact OE2-NZ 3.03Å; D128-K130 PolarHBondContact O-N 3.34Å
131C87.9Confident85.8Confident1 Ų162.7 Ų62.71%0.00730%0.297CS..G310 helixtrans-99.47.5179.6-65.20000113.8C120 Y124 D128 Y129 K133 C134 F135C120-C131 HydrophobicContact CB-CB 3.98Å; C120-C131 WeakPolarHBondContact CB-SG 3.37Å; C120-C131 PolarHBondContact O-SG 3.14Å; C120-C131 VanDerWaalsContact O-SG 3.37Å; C120-C131 WeakPolarHBondContact SG-CA 3.45Å; C120-C131 WeakPolarHBondContact SG-CB 3.44Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.29Å; Y124-C131 VanDerWaalsContact CD2-SG 3.6Å; D128-C131 CarbonylContact O-C 3.46Å; D128-C131 WeakPolarHBondContact O-CA 3.34Å; D128-C131 WeakPolarHBondContact O-CB 3.07Å; D128-C131 PolarHBondContact O-N 3.13Å; Y129-C131 PolarHBondContact O-N 3.27Å; C131-K133 VanDerWaalsContact C-N 3.26Å; C131-K133 PolarHBondContact O-N 3.39Å; C131-K133 VanDerWaalsContact O-N 3.13Å; C131-C134 WeakPolarHBondContact O-CB 3.39Å; C131-C134 PolarHBondContact O-N 3.08Å; C131-F135 HydrophobicContact CB-CD2 3.89Å; C131-F135 HydrophobicContact CB-CE2 3.56Å; C131-F135 HydrophobicContact CB-CZ 4.43Å; C131-F135 VanDerWaalsContact O-CD2 3.25Å; C131-F135 WeakPolarHBondContact O-CD2 3.38Å; C131-F135 PolarHBondContact O-N 2.94Å; C131-F135 VanDerWaalsContact O-N 3.1Å
132A90.7Very high86.1Confident16 Ų1657.7 Ų57.713%0.13228%0.279CS..Hα-helixtrans-47.5-46.1-176.600000113.2D128 Y129 C134 F135 D136 L193D128-A132 PolarHBondContact O-N 3.23Å; Y129-A132 WeakPolarHBondContact O-CB 3.01Å; Y129-A132 PolarHBondContact O-N 3Å; A132-C134 PolarHBondContact O-N 3.1Å; A132-F135 PolarHBondContact O-N 3.39Å; A132-D136 PolarHBondContact O-N 3.14Å; A132-L193 HydrophobicContact CB-CB 4.05Å
133K91.7Very high86.5Confident149 Ų14956.2 Ų56.265%0.64827%0.269SS*.Hα-helixtrans-60.8-41.1177.7-177.1175.8175.4177.10113.1C131 E137C131-K133 VanDerWaalsContact C-N 3.26Å; C131-K133 PolarHBondContact O-N 3.39Å; C131-K133 VanDerWaalsContact O-N 3.13Å; K133-E137 WeakPolarHBondContact CE-OE1 3.47Å; K133-E137 HydrophobicContact CG-CG 4.5Å; K133-E137 IonicContact NZ-OE1 2.85Å; K133-E137 WeakPolarHBondContact O-CB 3.44Å; K133-E137 WeakPolarHBondContact O-CG 3.47Å; K133-E137 PolarHBondContact O-N 3.15Å
134C90.5Very high87Confident32 Ų3254.2 Ų54.222%0.21627%0.266CS..Hα-helixtrans-69.3-35.8179.8-67.20000111.7M117 C120 C131 A132 F138M117-C134 HydrophobicContact CB-CB 4.39Å; C120-C134 HydrophobicContact CB-CB 4.42Å; C131-C134 WeakPolarHBondContact O-CB 3.39Å; C131-C134 PolarHBondContact O-N 3.08Å; A132-C134 PolarHBondContact O-N 3.1Å; C134-F138 VanDerWaalsContact O-CB 3.3Å; C134-F138 WeakPolarHBondContact O-CB 3.43Å; C134-F138 PolarHBondContact O-N 3.23Å; C134-F138 VanDerWaalsContact O-N 3.16Å
135F88.3Confident87.3Confident3 Ų351.1 Ų51.11%0.01325%0.254CS..Hα-helixtrans-66-49.8174.3-70.8-64.7000111.2M117 D128 C131 A132 E137 F138 E139 L193 Y198M117-F135 HydrophobicContact CG-CD1 3.51Å; M117-F135 HydrophobicContact CG-CE1 3.48Å; M117-F135 VanDerWaalsContact CG-CE1 3.48Å; M117-F135 HydrophobicContact CG-CG 4.34Å; M117-F135 HydrophobicContact CG-CZ 4.31Å; M117-F135 HydrophobicContact SD-CD1 3.44Å; M117-F135 WeakPolarHBondContact SD-CD1 3.41Å; M117-F135 HydrophobicContact SD-CE1 3.58Å; M117-F135 VanDerWaalsContact SD-CE1 3.58Å; D128-F135 HydrophobicContact CB-CE2 4.09Å; C131-F135 HydrophobicContact CB-CD2 3.89Å; C131-F135 HydrophobicContact CB-CE2 3.56Å; C131-F135 HydrophobicContact CB-CZ 4.43Å; C131-F135 VanDerWaalsContact O-CD2 3.25Å; C131-F135 WeakPolarHBondContact O-CD2 3.38Å; C131-F135 PolarHBondContact O-N 2.94Å; C131-F135 VanDerWaalsContact O-N 3.1Å; A132-F135 PolarHBondContact O-N 3.39Å; F135-E137 PolarHBondContact O-N 3.19Å; F135-F138 PolarHBondContact O-N 3.29Å; F135-E139 WeakPolarHBondContact O-CB 3.37Å; F135-E139 WeakPolarHBondContact O-CG 3.25Å; F135-E139 PolarHBondContact O-N 3.32Å; F135-L193 HydrophobicContact CB-CD2 4.28Å; F135-Y198 HydrophobicContact CB-CE2 4.42Å; F135-Y198 HydrophobicContact CD1-CE1 4.15Å; F135-Y198 AromaticContact CD1-CE2 3.95Å; F135-Y198 HydrophobicContact CD1-CE2 3.95Å; F135-Y198 AromaticContact CD1-CZ 3.75Å; F135-Y198 HydrophobicContact CE1-CD1 4.33Å; F135-Y198 AromaticContact CE1-CE1 3.85Å; F135-Y198 HydrophobicContact CE1-CE1 3.85Å; F135-Y198 HydrophobicContact CE1-CE2 4.47Å; F135-Y198 AromaticContact CE1-CZ 3.93Å; F135-Y198 HydrophobicContact CG-CD2 4.47Å; F135-Y198 HydrophobicContact CG-CE2 4.23Å; F135-Y198 HydrophobicContact CZ-CD1 4.41Å; F135-Y198 HydrophobicContact CZ-CE1 4.35Å
136D90.9Very high87.9Confident28 Ų2855.1 Ų55.115%0.1527%0.265CS..Hα-helixtrans-59.6-46.6180-176.340.8000112.2A132 F138 E139 E140 R186 K190 L193A132-D136 PolarHBondContact O-N 3.14Å; D136-F138 VanDerWaalsContact C-N 3.34Å; D136-F138 PolarHBondContact O-N 2.97Å; D136-E139 PolarHBondContact O-N 2.94Å; D136-E140 VanDerWaalsContact O-CB 3.31Å; D136-E140 WeakPolarHBondContact O-CB 3.11Å; D136-E140 PolarHBondContact O-N 2.77Å; D136-R186 IonicContact OD1-NH2 3.97Å; D136-K190 WeakPolarHBondContact OD1-CE 3.31Å; D136-K190 IonicContact OD1-NZ 2.74Å; D136-K190 PolarHBondContact OD1-NZ 2.91Å; D136-K190 WeakPolarHBondContact OD2-CE 3.45Å; D136-K190 IonicContact OD2-NZ 2.73Å; D136-K190 PolarHBondContact OD2-NZ 3.05Å; D136-L193 HydrophobicContact CB-CD1 4.15Å
137E92.5Very high88.7Confident64 Ų6450.8 Ų50.830%0.29924%0.242SC..Hα-helixtrans-60-42.8175.8-75.2178.4-173.600112.2L113 K133 F135 A141L113-E137 HydrophobicContact CD2-CB 4.41Å; K133-E137 WeakPolarHBondContact CE-OE1 3.47Å; K133-E137 HydrophobicContact CG-CG 4.5Å; K133-E137 IonicContact NZ-OE1 2.85Å; K133-E137 WeakPolarHBondContact O-CB 3.44Å; K133-E137 WeakPolarHBondContact O-CG 3.47Å; K133-E137 PolarHBondContact O-N 3.15Å; F135-E137 PolarHBondContact O-N 3.19Å; E137-A141 WeakPolarHBondContact O-CB 3.3Å; E137-A141 PolarHBondContact O-N 2.73Å; E137-A141 VanDerWaalsContact O-N 3.13Å
138F90Very high89.2Confident8 Ų851.3 Ų51.34%0.03524%0.243CC..Hα-helixtrans-68-45.7-179.9174.2-105.2000111.9L113 R114 M117 C134 F135 D136 A141 E142L113-F138 HydrophobicContact CB-CB 4.47Å; L113-F138 HydrophobicContact CB-CD2 4.07Å; R114-F138 HydrophobicContact CB-CD2 4.1Å; R114-F138 HydrophobicContact CB-CE2 3.66Å; R114-F138 HydrophobicContact CB-CZ 4.4Å; R114-F138 HydrophobicContact CG-CE2 4.08Å; R114-F138 HydrophobicContact CG-CZ 4.33Å; M117-F138 HydrophobicContact CE-CD1 4.19Å; M117-F138 HydrophobicContact CE-CE1 4.25Å; M117-F138 HydrophobicContact SD-CB 4.28Å; M117-F138 HydrophobicContact SD-CD1 3.58Å; M117-F138 VanDerWaalsContact SD-CD1 3.58Å; M117-F138 HydrophobicContact SD-CE1 4.18Å; M117-F138 HydrophobicContact SD-CG 4.01Å; C134-F138 VanDerWaalsContact O-CB 3.3Å; C134-F138 WeakPolarHBondContact O-CB 3.43Å; C134-F138 PolarHBondContact O-N 3.23Å; C134-F138 VanDerWaalsContact O-N 3.16Å; F135-F138 PolarHBondContact O-N 3.29Å; D136-F138 VanDerWaalsContact C-N 3.34Å; D136-F138 PolarHBondContact O-N 2.97Å; F138-A141 PolarHBondContact O-N 3.07Å; F138-E142 WeakPolarHBondContact CE1-OE2 3.37Å; F138-E142 WeakPolarHBondContact O-CB 3.45Å; F138-E142 PolarHBondContact O-N 3.35Å
139E87.5Confident89.8Confident12 Ų1250.2 Ų50.26%0.05624%0.236CC..Hα-helixtrans-64.9-41.1178.5-73.2-178.3173.300112.6F135 D136 A141 E142 L143 H189 Y198F135-E139 WeakPolarHBondContact O-CB 3.37Å; F135-E139 WeakPolarHBondContact O-CG 3.25Å; F135-E139 PolarHBondContact O-N 3.32Å; D136-E139 PolarHBondContact O-N 2.94Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-A141 PolarHBondContact O-N 3.13Å; E139-E142 PolarHBondContact O-N 3.41Å; E139-L143 VanDerWaalsContact O-CB 3.27Å; E139-L143 WeakPolarHBondContact O-CB 3.45Å; E139-L143 PolarHBondContact O-N 3.21Å; E139-H189 IonicContact OE1-CE1 3.8Å; E139-H189 IonicContact OE2-CE1 3.56Å; E139-H189 PolarHBondContact OE2-CE1 3.27Å; E139-H189 IonicContact OE2-ND1 3.8Å; E139-H189 IonicContact OE2-NE2 3.16Å; E139-Y198 WeakPolarHBondContact OE1-CE2 3.3Å
140E90.9Very high89.8Confident80 Ų8045.4 Ų45.437%0.37422%0.22SC..Hα-helixtrans-57.9-48.8174.5-168.1160.5158.300111.2D136 L143 N144 R186D136-E140 VanDerWaalsContact O-CB 3.31Å; D136-E140 WeakPolarHBondContact O-CB 3.11Å; D136-E140 PolarHBondContact O-N 2.77Å; E140-L143 PolarHBondContact O-N 3.33Å; E140-N144 WeakPolarHBondContact O-CB 3.33Å; E140-N144 PolarHBondContact O-N 3.46Å; E140-N144 PolarHBondContact O-ND2 3.47Å; E140-R186 IonicContact OE2-CZ 3.33Å; E140-R186 IonicContact OE2-NH2 2.88Å; E140-R186 PolarHBondContact OE2-NH2 2.93Å
141A91.9Very high89.7Confident20 Ų2048.8 Ų48.817%0.16524%0.237CC..Hα-helixtrans-66.3-42.3-179.700000111.5L110 L113 E137 F138 E139 L143 N144 Y145L110-A141 VanDerWaalsContact CD2-C 3.44Å; L110-A141 HydrophobicContact CD2-CB 3.59Å; L113-A141 HydrophobicContact CD1-CB 3.33Å; E137-A141 WeakPolarHBondContact O-CB 3.3Å; E137-A141 PolarHBondContact O-N 2.73Å; E137-A141 VanDerWaalsContact O-N 3.13Å; F138-A141 PolarHBondContact O-N 3.07Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-A141 PolarHBondContact O-N 3.13Å; A141-L143 PolarHBondContact O-N 2.81Å; A141-N144 PolarHBondContact O-N 2.93Å; A141-Y145 VanDerWaalsContact O-CB 3.29Å; A141-Y145 WeakPolarHBondContact O-CB 3.29Å; A141-Y145 PolarHBondContact O-N 2.84Å
142E88.1Confident89.5Confident30 Ų3050 Ų5014%0.1424%0.244CC..Hα-helixtrans-61.2-44.9177.8-175.7173.8-161.400111.3F138 E139 Y145 Y146 K204F138-E142 WeakPolarHBondContact CE1-OE2 3.37Å; F138-E142 WeakPolarHBondContact O-CB 3.45Å; F138-E142 PolarHBondContact O-N 3.35Å; E139-E142 PolarHBondContact O-N 3.41Å; E142-Y145 PolarHBondContact O-N 3.34Å; E142-Y146 PolarHBondContact O-N 2.9Å; E142-K204 IonicContact OE1-NZ 3.57Å; E142-K204 PolarHBondContact OE1-NZ 2.64Å; E142-K204 WeakPolarHBondContact OE2-CE 3.43Å; E142-K204 IonicContact OE2-NZ 3.29Å; E142-K204 PolarHBondContact OE2-NZ 3.39Å
143L88.1Confident88.9Confident45 Ų4551.9 Ų51.924%0.23626%0.264CS..Hα-helixtrans-62.3-47.5175.6177.8141.9000111.3E139 E140 A141 Y145 Y146 I147 W203E139-L143 VanDerWaalsContact O-CB 3.27Å; E139-L143 WeakPolarHBondContact O-CB 3.45Å; E139-L143 PolarHBondContact O-N 3.21Å; E140-L143 PolarHBondContact O-N 3.33Å; A141-L143 PolarHBondContact O-N 2.81Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 2.74Å; L143-Y146 PolarHBondContact O-N 3.49Å; L143-I147 HydrophobicContact CD2-CD1 3.4Å; L143-I147 VanDerWaalsContact CD2-CD1 3.4Å; L143-I147 HydrophobicContact CD2-CG1 4.43Å; L143-I147 HydrophobicContact CG-CD1 3.98Å; L143-I147 WeakPolarHBondContact O-CB 3.35Å; L143-I147 VanDerWaalsContact O-CG1 3.26Å; L143-I147 WeakPolarHBondContact O-CG1 3.5Å; L143-I147 PolarHBondContact O-N 2.9Å; L143-W203 HydrophobicContact CD1-CD2 3.7Å; L143-W203 HydrophobicContact CD1-CE3 3.61Å; L143-W203 HydrophobicContact CD1-CG 4.27Å; L143-W203 HydrophobicContact CD1-CH2 4.32Å; L143-W203 HydrophobicContact CD1-CZ2 4.38Å; L143-W203 HydrophobicContact CD1-CZ3 3.93Å
144N92.4Very high88.2Confident82 Ų8250.1 Ų50.144%0.43928%0.277SS..Hα-helixtrans-61.9-40.4178.5-73.6-23.4000112E140 A141 I147 K148E140-N144 WeakPolarHBondContact O-CB 3.33Å; E140-N144 PolarHBondContact O-N 3.46Å; E140-N144 PolarHBondContact O-ND2 3.47Å; A141-N144 PolarHBondContact O-N 2.93Å; N144-I147 PolarHBondContact O-N 2.91Å; N144-K148 WeakPolarHBondContact O-CB 3.22Å; N144-K148 PolarHBondContact O-N 2.96Å
145Y91.1Very high87.4Confident26 Ų2659.6 Ų59.610%0.10231%0.309CS..Hα-helixtrans-64.8-43.9176.2-175.5-90.2000111.9D106 L110 A141 E142 L143 K148 Y149 Y214D106-Y145 HydrophobicContact CB-CD2 3.99Å; D106-Y145 HydrophobicContact CB-CE2 4.03Å; L110-Y145 HydrophobicContact CD1-CD1 3.63Å; L110-Y145 HydrophobicContact CD1-CD2 3.55Å; L110-Y145 HydrophobicContact CD1-CE1 4.16Å; L110-Y145 HydrophobicContact CD1-CE2 4.11Å; L110-Y145 HydrophobicContact CD1-CG 3.31Å; L110-Y145 HydrophobicContact CG-CD2 4.19Å; L110-Y145 HydrophobicContact CG-CG 4.24Å; A141-Y145 VanDerWaalsContact O-CB 3.29Å; A141-Y145 WeakPolarHBondContact O-CB 3.29Å; A141-Y145 PolarHBondContact O-N 2.84Å; E142-Y145 PolarHBondContact O-N 3.34Å; L143-Y145 VanDerWaalsContact C-N 3.32Å; L143-Y145 PolarHBondContact O-N 2.74Å; Y145-K148 PolarHBondContact O-N 2.75Å; Y145-Y149 HydrophobicContact CD1-CD2 4.29Å; Y145-Y149 AromaticContact CD2-CD2 3.5Å; Y145-Y149 HydrophobicContact CD2-CD2 3.5Å; Y145-Y149 VanDerWaalsContact CD2-CD2 3.5Å; Y145-Y149 AromaticContact CD2-CE2 3.74Å; Y145-Y149 HydrophobicContact CD2-CE2 3.74Å; Y145-Y149 HydrophobicContact CE1-CD2 4.21Å; Y145-Y149 AromaticContact CE2-CD2 3.38Å; Y145-Y149 HydrophobicContact CE2-CD2 3.38Å; Y145-Y149 AromaticContact CE2-CE2 3.65Å; Y145-Y149 HydrophobicContact CE2-CE2 3.65Å; Y145-Y149 HydrophobicContact CE2-CG 4.43Å; Y145-Y149 AromaticContact CG-CD2 3.95Å; Y145-Y149 HydrophobicContact CG-CD2 3.95Å; Y145-Y149 AromaticContact CZ-CD2 3.76Å; Y145-Y149 PolarHBondContact O-N 3.38Å; Y145-Y214 HydrophobicContact CD1-CD1 4.49Å; Y145-Y214 HydrophobicContact CD1-CE1 4.18Å; Y145-Y214 AromaticContact CE1-CD1 3.87Å; Y145-Y214 HydrophobicContact CE1-CD1 3.87Å; Y145-Y214 AromaticContact CE1-CE1 3.92Å; Y145-Y214 HydrophobicContact CE1-CE1 3.92Å
146Y88.9Confident87Confident99 Ų9959.6 Ų59.639%0.38831%0.309SS..Hα-helixtrans-64.7-41.4176-171.6-93000111.8E142 L143 K148 G150 E151 K164E142-Y146 PolarHBondContact O-N 2.9Å; L143-Y146 PolarHBondContact O-N 3.49Å; Y146-K148 VanDerWaalsContact C-N 3.28Å; Y146-K148 PolarHBondContact O-N 2.91Å; Y146-G150 WeakPolarHBondContact O-CA 3.31Å; Y146-G150 PolarHBondContact O-N 2.9Å; Y146-E151 WeakPolarHBondContact OH-CG 3.49Å; Y146-E151 PolarHBondContact OH-OE1 3.41Å; Y146-K164 PolarHBondContact O-NZ 3.47Å
147I90.6Very high86.9Confident59 Ų5961.2 Ų61.230%0.30332%0.318SS..Hα-helixtrans-59.8-40.7174.9-73172.5000110.8L143 N144 K164L143-I147 HydrophobicContact CD2-CD1 3.4Å; L143-I147 VanDerWaalsContact CD2-CD1 3.4Å; L143-I147 HydrophobicContact CD2-CG1 4.43Å; L143-I147 HydrophobicContact CG-CD1 3.98Å; L143-I147 WeakPolarHBondContact O-CB 3.35Å; L143-I147 VanDerWaalsContact O-CG1 3.26Å; L143-I147 WeakPolarHBondContact O-CG1 3.5Å; L143-I147 PolarHBondContact O-N 2.9Å; N144-I147 PolarHBondContact O-N 2.91Å; I147-K164 WeakPolarHBondContact O-CE 3.32Å; I147-K164 PolarHBondContact O-NZ 3.27Å
148K91.7Very high87Confident84 Ų8458.7 Ų58.737%0.36531%0.307SS..Hα-helixtrans-74.6-52.9179.3-166.6173.9178.2-165.40112.3D106 N144 Y145 Y146 I152D106-K148 IonicContact OD2-NZ 3.25Å; D106-K148 PolarHBondContact OD2-NZ 3.2Å; N144-K148 WeakPolarHBondContact O-CB 3.22Å; N144-K148 PolarHBondContact O-N 2.96Å; Y145-K148 PolarHBondContact O-N 2.75Å; Y146-K148 VanDerWaalsContact C-N 3.28Å; Y146-K148 PolarHBondContact O-N 2.91Å; K148-I152 VanDerWaalsContact O-CD1 3.26Å; K148-I152 WeakPolarHBondContact O-CD1 3.28Å
149Y90Very high87.2Confident14 Ų1462 Ų626%0.05532%0.324CS..Hα-helixtrans-112-12.2-167.3-54.9-65.2000115.9Y99 K103 D106 Y145Y99-Y149 HydrophobicContact CD2-CE1 4.25Å; Y99-Y149 AromaticContact CE2-CD1 3.97Å; Y99-Y149 HydrophobicContact CE2-CD1 3.97Å; Y99-Y149 AromaticContact CE2-CE1 3.51Å; Y99-Y149 HydrophobicContact CE2-CE1 3.51Å; Y99-Y149 AromaticContact CZ-CD1 3.99Å; Y99-Y149 AromaticContact CZ-CE1 3.91Å; K103-Y149 VanDerWaalsContact CA-OH 3.25Å; K103-Y149 WeakPolarHBondContact CA-OH 3.39Å; K103-Y149 HydrophobicContact CB-CD1 4.28Å; K103-Y149 HydrophobicContact CB-CE1 3.62Å; K103-Y149 HydrophobicContact CB-CE2 4.44Å; K103-Y149 HydrophobicContact CD-CD1 3.83Å; K103-Y149 HydrophobicContact CD-CE1 4.02Å; K103-Y149 HydrophobicContact CD-CG 4.35Å; K103-Y149 HydrophobicContact CG-CD1 3.82Å; K103-Y149 HydrophobicContact CG-CD2 4.34Å; K103-Y149 HydrophobicContact CG-CE1 3.66Å; K103-Y149 HydrophobicContact CG-CE2 4.2Å; K103-Y149 HydrophobicContact CG-CG 4.14Å; K103-Y149 PolarHBondContact N-OH 2.82Å; D106-Y149 HydrophobicContact CB-CE2 3.87Å; D106-Y149 WeakPolarHBondContact OD2-CE2 3.26Å; D106-Y149 PolarHBondContact OD2-OH 3.36Å; Y145-Y149 HydrophobicContact CD1-CD2 4.29Å; Y145-Y149 AromaticContact CD2-CD2 3.5Å; Y145-Y149 HydrophobicContact CD2-CD2 3.5Å; Y145-Y149 VanDerWaalsContact CD2-CD2 3.5Å; Y145-Y149 AromaticContact CD2-CE2 3.74Å; Y145-Y149 HydrophobicContact CD2-CE2 3.74Å; Y145-Y149 HydrophobicContact CE1-CD2 4.21Å; Y145-Y149 AromaticContact CE2-CD2 3.38Å; Y145-Y149 HydrophobicContact CE2-CD2 3.38Å; Y145-Y149 AromaticContact CE2-CE2 3.65Å; Y145-Y149 HydrophobicContact CE2-CE2 3.65Å; Y145-Y149 HydrophobicContact CE2-CG 4.43Å; Y145-Y149 AromaticContact CG-CD2 3.95Å; Y145-Y149 HydrophobicContact CG-CD2 3.95Å; Y145-Y149 AromaticContact CZ-CD2 3.76Å; Y145-Y149 PolarHBondContact O-N 3.38Å
150G85.3Confident87.5Confident10 Ų1064.2 Ų64.210%0.10334%0.339CS..THydrogen-bonded Turntrans-61.3147.2-178.900000112.5Y146 I152 K164Y146-G150 WeakPolarHBondContact O-CA 3.31Å; Y146-G150 PolarHBondContact O-N 2.9Å; G150-I152 WeakPolarHBondContact O-CG1 3.42Å; G150-I152 PolarHBondContact O-N 2.73Å; G150-K164 PolarHBondContact O-NZ 3.09Å
151E85.6Confident87.7Confident162 Ų16261.1 Ų61.176%0.75733%0.327SS*.THydrogen-bonded Turntrans61.41.4175.2-59.3173-16900117Y146 G153Y146-E151 WeakPolarHBondContact OH-CG 3.49Å; Y146-E151 PolarHBondContact OH-OE1 3.41Å; E151-G153 PolarHBondContact O-N 3.45Å; E151-G153 VanDerWaalsContact O-N 3.14Å
152I83.3Confident87.9Confident28 Ų2862.9 Ų62.914%0.14433%0.33CS..SBendtrans-71.1-8.8179.1-56.3-171.6000112.2K148 G150 T160 A161 K164K148-I152 VanDerWaalsContact O-CD1 3.26Å; K148-I152 WeakPolarHBondContact O-CD1 3.28Å; G150-I152 WeakPolarHBondContact O-CG1 3.42Å; G150-I152 PolarHBondContact O-N 2.73Å; I152-T160 WeakPolarHBondContact CG2-OG1 3.34Å; I152-A161 HydrophobicContact CD1-CB 3.87Å; I152-K164 HydrophobicContact CD1-CD 4.02Å; I152-K164 HydrophobicContact CG1-CD 3.97Å
153G78.1Confident88.2Confident55 Ų5566.1 Ų66.157%0.56735%0.347SS*.  trans77.6-178.4-178.700000112.9E151E151-G153 PolarHBondContact O-N 3.45Å; E151-G153 VanDerWaalsContact O-N 3.14Å
154A76.4Confident88.6Confident111 Ų11166.7 Ų66.792%0.91735%0.347SS*.THydrogen-bonded Turntrans-72.5-35.6-176.400000112.9G156A154-G156 VanDerWaalsContact C-N 3.25Å; A154-G156 PolarHBondContact O-N 2.9Å
155R73.6Confident88.8Confident231 Ų23167.3 Ų67.387%0.87235%0.347SS*.THydrogen-bonded Turntrans-93.343178.4-59.5-172-175.1100.10.2111.6D157R155-D157 PolarHBondContact O-N 3.48Å
156G80Confident89Confident3 Ų370.4 Ų70.43%0.03136%0.361CS..  trans-75.5108.2-172.900000112.7A154A154-G156 VanDerWaalsContact C-N 3.25Å; A154-G156 PolarHBondContact O-N 2.9Å
157D89.2Confident89.4Confident62 Ų6271.9 Ų71.933%0.33237%0.372SS..  trans-92.1164.9-179.7-69.7-24.5000113.2Q96 R155 L159 T160 A161Q96-D157 PolarHBondContact NE2-OD1 3.41Å; R155-D157 PolarHBondContact O-N 3.48Å; D157-L159 VanDerWaalsContact C-N 3.26Å; D157-L159 PolarHBondContact O-N 3.49Å; D157-T160 HydrophobicContact CB-CG2 4.47Å; D157-T160 PolarHBondContact N-OG1 3.29Å; D157-T160 PolarHBondContact O-N 2.86Å; D157-T160 VanDerWaalsContact O-N 3.1Å; D157-T160 PolarHBondContact O-OG1 3.01Å; D157-A161 PolarHBondContact O-N 3.5Å
158V94.5Very high89.6Confident11 Ų1173 Ų737%0.06737%0.372CS..Hα-helixtrans-57.6-41.5174.9176.30000112.1I81 Q96 Y99 T160 A161 Y162I81-V158 HydrophobicContact CB-CG1 3.43Å; I81-V158 VanDerWaalsContact CB-CG1 3.43Å; I81-V158 HydrophobicContact CG1-CG1 3.86Å; I81-V158 HydrophobicContact CG2-CG1 3.52Å; Q96-V158 HydrophobicContact CB-CG2 4.35Å; Y99-V158 HydrophobicContact CD1-CG2 3.45Å; Y99-V158 VanDerWaalsContact CD1-CG2 3.45Å; Y99-V158 HydrophobicContact CD2-CG2 4.05Å; Y99-V158 HydrophobicContact CE1-CG2 4.34Å; Y99-V158 HydrophobicContact CG-CB 4.43Å; Y99-V158 HydrophobicContact CG-CG2 3.28Å; V158-T160 VanDerWaalsContact C-N 3.28Å; V158-T160 PolarHBondContact O-N 3.4Å; V158-A161 PolarHBondContact O-N 2.87Å; V158-Y162 WeakPolarHBondContact O-CB 3.06Å; V158-Y162 PolarHBondContact O-N 3.36Å
159L93.7Very high89.9Confident77 Ų7773.5 Ų73.540%0.40338%0.377SS..Hα-helixtrans-57.9-43.8176.7-172.670000111.3Y92 D157 Y162 M163Y92-L159 HydrophobicContact CE2-CB 4.33Å; D157-L159 VanDerWaalsContact C-N 3.26Å; D157-L159 PolarHBondContact O-N 3.49Å; L159-Y162 PolarHBondContact O-N 3.4Å; L159-M163 HydrophobicContact CD1-CE 4.12Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.29Å; L159-M163 PolarHBondContact O-N 3.37Å
160T93.9Very high90.2Very high60 Ų6076 Ų7637%0.36839%0.393SS..Hα-helixtrans-67.4-38.5179.8630000112I152 D157 V158 M163 K164I152-T160 WeakPolarHBondContact CG2-OG1 3.34Å; D157-T160 HydrophobicContact CB-CG2 4.47Å; D157-T160 PolarHBondContact N-OG1 3.29Å; D157-T160 PolarHBondContact O-N 2.86Å; D157-T160 VanDerWaalsContact O-N 3.1Å; D157-T160 PolarHBondContact O-OG1 3.01Å; V158-T160 VanDerWaalsContact C-N 3.28Å; V158-T160 PolarHBondContact O-N 3.4Å; T160-M163 PolarHBondContact O-N 2.92Å; T160-K164 WeakPolarHBondContact O-CB 3.29Å; T160-K164 PolarHBondContact O-N 2.98Å
161A95Very high90.8Very high15 Ų1578.8 Ų78.812%0.12440%0.401CS..Hα-helixtrans-64-41.7173.500000112Y99 I152 D157 V158 K164 Q165Y99-A161 HydrophobicContact CE2-CB 3.63Å; I152-A161 HydrophobicContact CD1-CB 3.87Å; D157-A161 PolarHBondContact O-N 3.5Å; V158-A161 PolarHBondContact O-N 2.87Å; A161-K164 WeakPolarHBondContact O-CB 3.46Å; A161-K164 PolarHBondContact O-N 2.68Å; A161-Q165 PolarHBondContact O-N 3.32Å
162Y95.8Very high91.3Very high57 Ų5773.9 Ų73.922%0.22438%0.378CS..Hα-helixtrans-65.8-41.6176.8-178.8-122.1000112.4I81 D82 V158 L159 Q165 K166I81-Y162 HydrophobicContact CG2-CD1 4.23Å; I81-Y162 HydrophobicContact CG2-CD2 4.09Å; I81-Y162 HydrophobicContact CG2-CG 3.82Å; D82-Y162 HydrophobicContact CB-CE2 3.78Å; V158-Y162 WeakPolarHBondContact O-CB 3.06Å; V158-Y162 PolarHBondContact O-N 3.36Å; L159-Y162 PolarHBondContact O-N 3.4Å; Y162-Q165 WeakPolarHBondContact O-CB 3.37Å; Y162-Q165 PolarHBondContact O-N 3.16Å; Y162-K166 HydrophobicContact CE1-CD 4.26Å; Y162-K166 WeakPolarHBondContact O-CG 3.3Å; Y162-K166 PolarHBondContact O-N 3.07Å; Y162-K166 WeakPolarHBondContact OH-CE 3.43Å; Y162-K166 PolarHBondContact OH-NZ 3.25Å
163M95.2Very high91.9Very high98 Ų9882.8 Ų82.848%0.48341%0.41SS..Hα-helixtrans-65.5-38.1173.9-67.2-57.9-179.200112.1L159 T160 Q165 K166 H167L159-M163 HydrophobicContact CD1-CE 4.12Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.29Å; L159-M163 PolarHBondContact O-N 3.37Å; T160-M163 PolarHBondContact O-N 2.92Å; M163-Q165 VanDerWaalsContact C-N 3.35Å; M163-K166 PolarHBondContact O-N 2.63Å; M163-K166 HydrophobicContact SD-CD 4.08Å; M163-H167 WeakPolarHBondContact O-CB 3.49Å; M163-H167 PolarHBondContact O-N 3.38Å
164K95.6Very high92.8Very high56 Ų5689 Ų8924%0.24342%0.416CS..Hα-helixtrans-60.7-43.9171.9-176.8-175.9-178.4-168.30111.5Y146 I147 G150 I152 T160 A161 H167 R168Y146-K164 PolarHBondContact O-NZ 3.47Å; I147-K164 WeakPolarHBondContact O-CE 3.32Å; I147-K164 PolarHBondContact O-NZ 3.27Å; G150-K164 PolarHBondContact O-NZ 3.09Å; I152-K164 HydrophobicContact CD1-CD 4.02Å; I152-K164 HydrophobicContact CG1-CD 3.97Å; T160-K164 WeakPolarHBondContact O-CB 3.29Å; T160-K164 PolarHBondContact O-N 2.98Å; A161-K164 WeakPolarHBondContact O-CB 3.46Å; A161-K164 PolarHBondContact O-N 2.68Å; K164-H167 PolarHBondContact O-N 2.92Å; K164-R168 PolarHBondContact O-N 3Å
165Q96.5Very high93.8Very high96 Ų9686.3 Ų86.345%0.44938%0.384SS..Hα-helixtrans-60.2-46.4175.5-177.5-177.91.300111.3A161 Y162 M163 H167 R168 M169A161-Q165 PolarHBondContact O-N 3.32Å; Y162-Q165 WeakPolarHBondContact O-CB 3.37Å; Y162-Q165 PolarHBondContact O-N 3.16Å; M163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-H167 PolarHBondContact O-N 3.44Å; Q165-R168 WeakPolarHBondContact O-CB 3.49Å; Q165-R168 PolarHBondContact O-N 2.64Å; Q165-M169 WeakPolarHBondContact O-CG 3.24Å; Q165-M169 PolarHBondContact O-N 3.14Å
166K97.1Very high94.9Very high90 Ų9078.6 Ų78.639%0.39136%0.364SS..Hα-helixtrans-57.7-47.6174.7-73.5-177.9178.5176.20112Y162 M163 R168 M169 V170Y162-K166 HydrophobicContact CE1-CD 4.26Å; Y162-K166 WeakPolarHBondContact O-CG 3.3Å; Y162-K166 PolarHBondContact O-N 3.07Å; Y162-K166 WeakPolarHBondContact OH-CE 3.43Å; Y162-K166 PolarHBondContact OH-NZ 3.25Å; M163-K166 PolarHBondContact O-N 2.63Å; M163-K166 HydrophobicContact SD-CD 4.08Å; K166-R168 VanDerWaalsContact C-N 3.29Å; K166-R168 PolarHBondContact O-N 3.32Å; K166-M169 PolarHBondContact O-N 3.36Å; K166-V170 WeakPolarHBondContact O-CG2 3.42Å; K166-V170 PolarHBondContact O-N 2.86Å
167H96.7Very high95.6Very high131 Ų13183.3 Ų83.361%0.60639%0.385SS*.Hα-helixtrans-57.4-44.6177.2176.8-93.9000111.2M163 K164 Q165 V170 W171M163-H167 WeakPolarHBondContact O-CB 3.49Å; M163-H167 PolarHBondContact O-N 3.38Å; K164-H167 PolarHBondContact O-N 2.92Å; Q165-H167 PolarHBondContact O-N 3.44Å; H167-V170 PolarHBondContact O-N 3.25Å; H167-W171 VanDerWaalsContact O-CB 3.28Å; H167-W171 WeakPolarHBondContact O-CB 3.28Å; H167-W171 PolarHBondContact O-N 3.44Å
168R95.2Very high95.8Very high81 Ų8183.2 Ų83.231%0.30638%0.384SS..Hα-helixtrans-60.1-49.3176.3-170.4-177.275.8-138.22112.1K164 Q165 K166 V170 W171 E172K164-R168 PolarHBondContact O-N 3Å; Q165-R168 WeakPolarHBondContact O-CB 3.49Å; Q165-R168 PolarHBondContact O-N 2.64Å; K166-R168 VanDerWaalsContact C-N 3.29Å; K166-R168 PolarHBondContact O-N 3.32Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-V170 PolarHBondContact O-N 3.11Å; R168-W171 WeakPolarHBondContact O-CB 3.2Å; R168-W171 PolarHBondContact O-N 3.09Å; R168-W171 VanDerWaalsContact O-N 3.1Å; R168-E172 WeakPolarHBondContact CD-OE1 3.46Å; R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 VanDerWaalsContact CG-OE1 3.24Å; R168-E172 WeakPolarHBondContact CG-OE1 3.4Å; R168-E172 IonicContact NE-OE1 3.38Å; R168-E172 PolarHBondContact NE-OE1 3.16Å; R168-E172 WeakPolarHBondContact O-CB 3.38Å; R168-E172 WeakPolarHBondContact O-CG 3.34Å; R168-E172 PolarHBondContact O-N 3.2Å
169M96.6Very high95.7Very high95 Ų9585.9 Ų85.947%0.46840%0.397SS..Hα-helixtrans-60.6-40.1179.5-66.4-61.6-63.100112.2Q165 K166 R173Q165-M169 WeakPolarHBondContact O-CG 3.24Å; Q165-M169 PolarHBondContact O-N 3.14Å; K166-M169 PolarHBondContact O-N 3.36Å; M169-R173 VanDerWaalsContact O-CG 3.25Å; M169-R173 WeakPolarHBondContact O-CG 3.38Å; M169-R173 PolarHBondContact O-N 2.9Å
170V97.5Very high95.7Very high67 Ų6789 Ų8941%0.40641%0.409SS..Hα-helixtrans-67.3-39.8175173.50000111.1K166 H167 R168 R174K166-V170 WeakPolarHBondContact O-CG2 3.42Å; K166-V170 PolarHBondContact O-N 2.86Å; H167-V170 PolarHBondContact O-N 3.25Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-V170 PolarHBondContact O-N 3.11Å; V170-R174 WeakPolarHBondContact O-CG 3.48Å; V170-R174 PolarHBondContact O-N 3.02Å
171W96.7Very high95.7Very high69 Ų6988.9 Ų88.926%0.26142%0.415SS..Hα-helixtrans-67-44.5179.3-174.791.5000112.3H167 R168 R173 R174 H175 I178 M179H167-W171 VanDerWaalsContact O-CB 3.28Å; H167-W171 WeakPolarHBondContact O-CB 3.28Å; H167-W171 PolarHBondContact O-N 3.44Å; R168-W171 WeakPolarHBondContact O-CB 3.2Å; R168-W171 PolarHBondContact O-N 3.09Å; R168-W171 VanDerWaalsContact O-N 3.1Å; W171-R173 VanDerWaalsContact C-N 3.32Å; W171-R173 PolarHBondContact O-N 3.1Å; W171-R174 PolarHBondContact O-N 3.49Å; W171-R174 VanDerWaalsContact O-N 3.08Å; W171-H175 AromaticContact CD1-CE1 3.79Å; W171-H175 AromaticContact CD1-ND1 3.76Å; W171-H175 AromaticContact CD2-ND1 3.85Å; W171-H175 AromaticContact CE2-ND1 3.63Å; W171-H175 AromaticContact CG-ND1 3.94Å; W171-H175 HydrophobicContact CH2-CB 4.43Å; W171-H175 HydrophobicContact CZ2-CB 4.44Å; W171-H175 AromaticContact NE1-CE1 3.58Å; W171-H175 AromaticContact NE1-ND1 3.56Å; W171-H175 PolarHBondContact O-N 3.07Å; W171-H175 PolarHBondContact O-ND1 3.39Å; W171-I178 HydrophobicContact CH2-CB 4.1Å; W171-I178 HydrophobicContact CH2-CD1 4.06Å; W171-I178 HydrophobicContact CH2-CG2 3.75Å; W171-I178 HydrophobicContact CZ2-CD1 3.91Å; W171-M179 HydrophobicContact CZ3-SD 3.99Å
172E95.9Very high95.5Very high58 Ų5893.8 Ų93.827%0.27143%0.43SS..Hα-helixtrans-61.7-39.8176.9-73.2170.8-179.600111.3R168 R174 H175 M179R168-E172 WeakPolarHBondContact CD-OE1 3.46Å; R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 VanDerWaalsContact CG-OE1 3.24Å; R168-E172 WeakPolarHBondContact CG-OE1 3.4Å; R168-E172 IonicContact NE-OE1 3.38Å; R168-E172 PolarHBondContact NE-OE1 3.16Å; R168-E172 WeakPolarHBondContact O-CB 3.38Å; R168-E172 WeakPolarHBondContact O-CG 3.34Å; R168-E172 PolarHBondContact O-N 3.2Å; E172-R174 PolarHBondContact O-N 2.89Å; E172-H175 PolarHBondContact O-N 3.5Å; E172-M179 HydrophobicContact CG-CE 4.23Å; E172-M179 HydrophobicContact CG-SD 4.11Å
173R96.9Very high95.4Very high215 Ų21593.8 Ų93.881%0.81144%0.442SS*.Hα-helixtrans-63-27174.3-76.5177.764.5178.81.2113.9M169 W171M169-R173 VanDerWaalsContact O-CG 3.25Å; M169-R173 WeakPolarHBondContact O-CG 3.38Å; M169-R173 PolarHBondContact O-N 2.9Å; W171-R173 VanDerWaalsContact C-N 3.32Å; W171-R173 PolarHBondContact O-N 3.1Å
174R97.5Very high95.4Very high185 Ų18591.4 Ų91.470%0.69844%0.438SS*.Hα-helixtrans-89-19.7-178.8-71.8176.6-176.9-168.41.4113.2V170 W171 E172V170-R174 WeakPolarHBondContact O-CG 3.48Å; V170-R174 PolarHBondContact O-N 3.02Å; W171-R174 PolarHBondContact O-N 3.49Å; W171-R174 VanDerWaalsContact O-N 3.08Å; E172-R174 PolarHBondContact O-N 2.89Å
175H96.9Very high95.2Very high56 Ų5690.1 Ų90.126%0.25944%0.438SS..  trans-133.961.3-172.3-52.893.8000112.5W171 E172 E177 I178 M179W171-H175 AromaticContact CD1-CE1 3.79Å; W171-H175 AromaticContact CD1-ND1 3.76Å; W171-H175 AromaticContact CD2-ND1 3.85Å; W171-H175 AromaticContact CE2-ND1 3.63Å; W171-H175 AromaticContact CG-ND1 3.94Å; W171-H175 HydrophobicContact CH2-CB 4.43Å; W171-H175 HydrophobicContact CZ2-CB 4.44Å; W171-H175 AromaticContact NE1-CE1 3.58Å; W171-H175 AromaticContact NE1-ND1 3.56Å; W171-H175 PolarHBondContact O-N 3.07Å; W171-H175 PolarHBondContact O-ND1 3.39Å; E172-H175 PolarHBondContact O-N 3.5Å; H175-E177 WeakPolarHBondContact CA-OE1 3.22Å; H175-E177 WeakPolarHBondContact CA-OE2 3.29Å; H175-E177 WeakPolarHBondContact CB-OE1 3.26Å; H175-E177 IonicContact CD2-OE1 2.74Å; H175-E177 IonicContact CG-OE1 2.77Å; H175-E177 PolarHBondContact O-N 3.32Å; H175-I178 HydrophobicContact CB-CB 4.28Å; H175-I178 HydrophobicContact CB-CD1 3.83Å; H175-I178 HydrophobicContact CB-CG1 4.19Å; H175-I178 PolarHBondContact O-N 2.99Å; H175-M179 PolarHBondContact O-N 3.38Å
176P96.1Very high94.9Very high69 Ų6987.7 Ų87.745%0.44842%0.424SS..Hα-helixtrans-58-36.4175.525.3-34.6000112.4I178 M179 E180P176-I178 VanDerWaalsContact C-N 3.3Å; P176-I178 PolarHBondContact O-N 3.13Å; P176-M179 WeakPolarHBondContact O-CB 3.42Å; P176-M179 PolarHBondContact O-N 3.42Å; P176-E180 PolarHBondContact O-N 3.49Å
177E95.6Very high94.8Very high101 Ų10187 Ų8747%0.47243%0.428SS..Hα-helixtrans-60.5-36.5-179.168.2-68.4161.100112.8H175 M179 A181H175-E177 WeakPolarHBondContact CA-OE1 3.22Å; H175-E177 WeakPolarHBondContact CA-OE2 3.29Å; H175-E177 WeakPolarHBondContact CB-OE1 3.26Å; H175-E177 IonicContact CD2-OE1 2.74Å; H175-E177 IonicContact CG-OE1 2.77Å; H175-E177 PolarHBondContact O-N 3.32Å; E177-M179 VanDerWaalsContact C-N 3.35Å; E177-A181 WeakPolarHBondContact O-CB 3.25Å; E177-A181 PolarHBondContact O-N 3.24Å
178I93.5Very high94.6Very high61 Ų6186.2 Ų86.231%0.31342%0.424SS..Hα-helixtrans-72.4-33.4177.2-61.5171.2000110.5W171 H175 P176 R182W171-I178 HydrophobicContact CH2-CB 4.1Å; W171-I178 HydrophobicContact CH2-CD1 4.06Å; W171-I178 HydrophobicContact CH2-CG2 3.75Å; W171-I178 HydrophobicContact CZ2-CD1 3.91Å; H175-I178 HydrophobicContact CB-CB 4.28Å; H175-I178 HydrophobicContact CB-CD1 3.83Å; H175-I178 HydrophobicContact CB-CG1 4.19Å; H175-I178 PolarHBondContact O-N 2.99Å; P176-I178 VanDerWaalsContact C-N 3.3Å; P176-I178 PolarHBondContact O-N 3.13Å; I178-R182 HydrophobicContact CG2-CG 4.46Å; I178-R182 WeakPolarHBondContact O-CB 3.29Å; I178-R182 VanDerWaalsContact O-CG 3.27Å; I178-R182 WeakPolarHBondContact O-CG 3.43Å; I178-R182 PolarHBondContact O-N 2.89Å
179M90.7Very high94.4Very high66 Ų6682.5 Ų82.533%0.32541%0.411SS..Hα-helixtrans-70.6-41.7178.2-62.5-55.3-68.700111.4W171 E172 H175 P176 E177 R182 A183W171-M179 HydrophobicContact CZ3-SD 3.99Å; E172-M179 HydrophobicContact CG-CE 4.23Å; E172-M179 HydrophobicContact CG-SD 4.11Å; H175-M179 PolarHBondContact O-N 3.38Å; P176-M179 WeakPolarHBondContact O-CB 3.42Å; P176-M179 PolarHBondContact O-N 3.42Å; E177-M179 VanDerWaalsContact C-N 3.35Å; M179-R182 PolarHBondContact O-N 3.44Å; M179-A183 WeakPolarHBondContact O-CB 3.3Å; M179-A183 PolarHBondContact O-N 3.44Å
180E94.3Very high94.1Very high142 Ų14281.2 Ų81.266%0.66440%0.402SS*.Hα-helixtrans-61.7-46.1172.8-70.1177.9-175.600111.5P176 R182 A183 A184P176-E180 PolarHBondContact O-N 3.49Å; E180-R182 VanDerWaalsContact C-N 3.34Å; E180-R182 PolarHBondContact O-N 3.43Å; E180-A183 WeakPolarHBondContact O-CB 3.4Å; E180-A183 PolarHBondContact O-N 2.96Å; E180-A183 VanDerWaalsContact O-N 3.17Å; E180-A184 PolarHBondContact O-N 2.83Å
181A94.1Very high93.8Very high59 Ų5983.9 Ų83.949%0.48841%0.408SS..Hα-helixtrans-60.2-41.6176.400000112.4E177 A184 A185E177-A181 WeakPolarHBondContact O-CB 3.25Å; E177-A181 PolarHBondContact O-N 3.24Å; A181-A184 PolarHBondContact O-N 2.95Å; A181-A185 WeakPolarHBondContact O-CB 3.41Å; A181-A185 PolarHBondContact O-N 3.36Å
182R91.1Very high93.5Very high118 Ų11884.4 Ų84.445%0.44541%0.414SS..Hα-helixtrans-65.4-38.5175-77.1174.2176.8166.81.9112.4I178 M179 E180 R186I178-R182 HydrophobicContact CG2-CG 4.46Å; I178-R182 WeakPolarHBondContact O-CB 3.29Å; I178-R182 VanDerWaalsContact O-CG 3.27Å; I178-R182 WeakPolarHBondContact O-CG 3.43Å; I178-R182 PolarHBondContact O-N 2.89Å; M179-R182 PolarHBondContact O-N 3.44Å; E180-R182 VanDerWaalsContact C-N 3.34Å; E180-R182 PolarHBondContact O-N 3.43Å; R182-R186 WeakPolarHBondContact O-CB 3.34Å; R182-R186 PolarHBondContact O-N 2.92Å
183A92.5Very high93Very high57 Ų5782 Ų8247%0.47140%0.402SS..Hα-helixtrans-64.4-45176.100000111M179 E180 R186 T187M179-A183 WeakPolarHBondContact O-CB 3.3Å; M179-A183 PolarHBondContact O-N 3.44Å; E180-A183 WeakPolarHBondContact O-CB 3.4Å; E180-A183 PolarHBondContact O-N 2.96Å; E180-A183 VanDerWaalsContact O-N 3.17Å; A183-R186 PolarHBondContact O-N 3.23Å; A183-T187 WeakPolarHBondContact O-CG2 3.48Å; A183-T187 PolarHBondContact O-N 2.81Å
184A95.2Very high92.6Very high48 Ų4878.5 Ų78.540%0.39740%0.396SS..Hα-helixtrans-58.4-51.8174.300000111.5E180 A181 R186 T187 E188E180-A184 PolarHBondContact O-N 2.83Å; A181-A184 PolarHBondContact O-N 2.95Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.39Å; A184-T187 PolarHBondContact O-N 3.48Å; A184-T187 PolarHBondContact O-OG1 3Å; A184-E188 PolarHBondContact O-N 3.21Å
185A92.2Very high92Very high29 Ų2976 Ų7624%0.2439%0.392CS..Hα-helixtrans-56.2-41.5176.900000112.3A181 T187 E188 H189 F202A181-A185 WeakPolarHBondContact O-CB 3.41Å; A181-A185 PolarHBondContact O-N 3.36Å; A185-T187 VanDerWaalsContact C-N 3.35Å; A185-T187 PolarHBondContact O-N 2.89Å; A185-E188 PolarHBondContact O-N 2.95Å; A185-H189 WeakPolarHBondContact O-CB 3.49Å; A185-H189 PolarHBondContact O-N 3.26Å; A185-F202 HydrophobicContact CB-CE2 4.05Å; A185-F202 HydrophobicContact CB-CZ 3.92Å; A185-F202 VanDerWaalsContact O-CZ 3.28Å; A185-F202 WeakPolarHBondContact O-CZ 3.33Å
186R90.9Very high91.3Very high44 Ų4474.7 Ų74.717%0.16639%0.394CS..Hα-helixtrans-64.2-38.9177.6-171.9168.6-17889.510.6111.9D136 E140 R182 A183 A184 H189 K190 W203D136-R186 IonicContact OD1-NH2 3.97Å; E140-R186 IonicContact OE2-CZ 3.33Å; E140-R186 IonicContact OE2-NH2 2.88Å; E140-R186 PolarHBondContact OE2-NH2 2.93Å; R182-R186 WeakPolarHBondContact O-CB 3.34Å; R182-R186 PolarHBondContact O-N 2.92Å; A183-R186 PolarHBondContact O-N 3.23Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.39Å; R186-H189 PolarHBondContact O-N 3.23Å; R186-K190 WeakPolarHBondContact O-CG 3.3Å; R186-K190 PolarHBondContact O-N 3.26Å; R186-K190 VanDerWaalsContact O-N 3.11Å; R186-W203 HydrophobicContact CB-CZ2 4.16Å; R186-W203 HydrophobicContact CG-CZ2 4.27Å
187T93.9Very high90.6Very high77 Ų7779.1 Ų79.147%0.47240%0.402SS..Hα-helixtrans-67.7-37.4175.960.50000112.8A183 A184 A185 K191A183-T187 WeakPolarHBondContact O-CG2 3.48Å; A183-T187 PolarHBondContact O-N 2.81Å; A184-T187 PolarHBondContact O-N 3.48Å; A184-T187 PolarHBondContact O-OG1 3Å; A185-T187 VanDerWaalsContact C-N 3.35Å; A185-T187 PolarHBondContact O-N 2.89Å; T187-K191 WeakPolarHBondContact O-CG 3.39Å; T187-K191 PolarHBondContact O-N 3.4Å
188E92.8Very high89.6Confident114 Ų11477 Ų7753%0.53339%0.39SS..Hα-helixtrans-66-43.3174.5-70.2177.6175.300111.5A184 A185 K190 K191 Q192A184-E188 PolarHBondContact O-N 3.21Å; A185-E188 PolarHBondContact O-N 2.95Å; E188-K190 PolarHBondContact O-N 2.91Å; E188-K191 WeakPolarHBondContact O-CB 3.35Å; E188-K191 PolarHBondContact O-N 3.34Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.98Å
189H90.3Very high88.7Confident3 Ų377.5 Ų77.51%0.01439%0.394CS..Hα-helixtrans-59.7-43.8176.7-175.8-105.6000112.5E139 A185 R186 K191 Q192 L193 F202E139-H189 IonicContact OE1-CE1 3.8Å; E139-H189 IonicContact OE2-CE1 3.56Å; E139-H189 PolarHBondContact OE2-CE1 3.27Å; E139-H189 IonicContact OE2-ND1 3.8Å; E139-H189 IonicContact OE2-NE2 3.16Å; A185-H189 WeakPolarHBondContact O-CB 3.49Å; A185-H189 PolarHBondContact O-N 3.26Å; R186-H189 PolarHBondContact O-N 3.23Å; H189-K191 VanDerWaalsContact C-N 3.31Å; H189-K191 PolarHBondContact O-N 2.85Å; H189-Q192 WeakPolarHBondContact O-CB 3.28Å; H189-Q192 PolarHBondContact O-N 3.36Å; H189-Q192 VanDerWaalsContact O-N 3.11Å; H189-L193 WeakPolarHBondContact O-CG 3.3Å; H189-L193 PolarHBondContact O-N 2.78Å; H189-F202 HydrophobicContact CB-CD1 3.67Å; H189-F202 HydrophobicContact CB-CD2 4.35Å; H189-F202 HydrophobicContact CB-CE1 3.31Å; H189-F202 HydrophobicContact CB-CE2 4.07Å; H189-F202 HydrophobicContact CB-CG 4.19Å; H189-F202 HydrophobicContact CB-CZ 3.59Å; H189-F202 AromaticContact CD2-CD1 3.3Å; H189-F202 WeakPolarHBondContact CD2-CD1 3.13Å; H189-F202 AromaticContact CD2-CE1 3.94Å; H189-F202 AromaticContact CD2-CG 3.36Å; H189-F202 WeakPolarHBondContact CD2-CG 3.27Å; H189-F202 AromaticContact CE1-CD1 3.86Å; H189-F202 AromaticContact CG-CD1 3.22Å; H189-F202 AromaticContact CG-CE1 3.42Å; H189-F202 VanDerWaalsContact CG-CE1 3.42Å; H189-F202 AromaticContact CG-CG 3.75Å; H189-F202 AromaticContact ND1-CD1 3.61Å; H189-F202 AromaticContact ND1-CE1 3.89Å; H189-F202 AromaticContact NE2-CD1 3.72Å; H189-F202 AromaticContact NE2-CG 3.88Å
190K91.1Very high87.7Confident67 Ų6777.7 Ų77.729%0.29140%0.4SS..Hα-helixtrans-59.5-41.4175.4-72-174.8-171.2-131.50112D136 R186 E188 Q192 L193 E194D136-K190 WeakPolarHBondContact OD1-CE 3.31Å; D136-K190 IonicContact OD1-NZ 2.74Å; D136-K190 PolarHBondContact OD1-NZ 2.91Å; D136-K190 WeakPolarHBondContact OD2-CE 3.45Å; D136-K190 IonicContact OD2-NZ 2.73Å; D136-K190 PolarHBondContact OD2-NZ 3.05Å; R186-K190 WeakPolarHBondContact O-CG 3.3Å; R186-K190 PolarHBondContact O-N 3.26Å; R186-K190 VanDerWaalsContact O-N 3.11Å; E188-K190 PolarHBondContact O-N 2.91Å; K190-Q192 VanDerWaalsContact C-N 3.33Å; K190-Q192 PolarHBondContact O-N 3.43Å; K190-L193 PolarHBondContact O-N 2.77Å; K190-E194 WeakPolarHBondContact O-CG 3.48Å; K190-E194 PolarHBondContact O-N 2.95Å
191K91.8Very high86.5Confident124 Ų12473 Ų7354%0.53938%0.383SS..Hα-helixtrans-62.9-38.8174.5-67.8172.2-177.1176.30112.1T187 E188 H189 E194 Q195T187-K191 WeakPolarHBondContact O-CG 3.39Å; T187-K191 PolarHBondContact O-N 3.4Å; E188-K191 WeakPolarHBondContact O-CB 3.35Å; E188-K191 PolarHBondContact O-N 3.34Å; E188-K191 VanDerWaalsContact O-N 3.15Å; H189-K191 VanDerWaalsContact C-N 3.31Å; H189-K191 PolarHBondContact O-N 2.85Å; K191-E194 PolarHBondContact O-N 2.86Å; K191-Q195 VanDerWaalsContact O-CG 3.23Å; K191-Q195 WeakPolarHBondContact O-CG 3.33Å; K191-Q195 PolarHBondContact O-N 3.43Å; K191-Q195 VanDerWaalsContact O-N 3.11Å
192Q89.7Confident85.5Confident80 Ų8073.1 Ų73.137%0.37437%0.372SS..Hα-helixtrans-66.7-43176.8-70.11769.100112E188 H189 K190 E194 Q195 G196 Y197E188-Q192 WeakPolarHBondContact O-CG 3.38Å; E188-Q192 PolarHBondContact O-N 2.98Å; H189-Q192 WeakPolarHBondContact O-CB 3.28Å; H189-Q192 PolarHBondContact O-N 3.36Å; H189-Q192 VanDerWaalsContact O-N 3.11Å; K190-Q192 VanDerWaalsContact C-N 3.33Å; K190-Q192 PolarHBondContact O-N 3.43Å; Q192-E194 VanDerWaalsContact C-N 3.33Å; Q192-E194 PolarHBondContact O-N 3.38Å; Q192-Q195 CarbonylContact O-C 3.5Å; Q192-Q195 WeakPolarHBondContact O-CA 3.28Å; Q192-Q195 WeakPolarHBondContact O-CB 3.43Å; Q192-Q195 PolarHBondContact O-N 3.16Å; Q192-Q195 VanDerWaalsContact O-N 3.08Å; Q192-G196 PolarHBondContact O-N 3.04Å; Q192-G196 VanDerWaalsContact O-N 3.1Å; Q192-Y197 CarbonylContact C-O 3.59Å; Q192-Y197 VanDerWaalsContact C-O 3.25Å; Q192-Y197 PolarHBondContact O-N 3.11Å
193L86.8Confident84.3Confident6 Ų671.6 Ų71.63%0.03137%0.367CS..Hα-helixtrans-58-44.6174.1-73.6177.1000111.8A132 F135 D136 H189 K190 Q195 G196 Y198A132-L193 HydrophobicContact CB-CB 4.05Å; F135-L193 HydrophobicContact CB-CD2 4.28Å; D136-L193 HydrophobicContact CB-CD1 4.15Å; H189-L193 WeakPolarHBondContact O-CG 3.3Å; H189-L193 PolarHBondContact O-N 2.78Å; K190-L193 PolarHBondContact O-N 2.77Å; L193-Q195 VanDerWaalsContact C-N 3.25Å; L193-Q195 PolarHBondContact O-N 2.98Å; L193-G196 PolarHBondContact O-N 2.86Å; L193-Y198 HydrophobicContact CD2-CD2 3.51Å; L193-Y198 HydrophobicContact CD2-CE2 4.32Å; L193-Y198 HydrophobicContact CD2-CG 4.31Å
194E86.6Confident82.8Confident143 Ų14371.7 Ų71.767%0.66836%0.357SS*.Hα-helixtrans-62.6-32.7176.2-72.8171.9179.900112.4K190 K191 Q192 G196K190-E194 WeakPolarHBondContact O-CG 3.48Å; K190-E194 PolarHBondContact O-N 2.95Å; K191-E194 PolarHBondContact O-N 2.86Å; Q192-E194 VanDerWaalsContact C-N 3.33Å; Q192-E194 PolarHBondContact O-N 3.38Å; E194-G196 VanDerWaalsContact C-N 3.25Å; E194-G196 PolarHBondContact O-N 3.24Å
195Q86.7Confident80.5Confident132 Ų13279.5 Ų79.562%0.61738%0.376SS*.THydrogen-bonded Turntrans-78.6-6.5174.2-68.7167.67.700113.3K191 Q192 L193 Y197K191-Q195 VanDerWaalsContact O-CG 3.23Å; K191-Q195 WeakPolarHBondContact O-CG 3.33Å; K191-Q195 PolarHBondContact O-N 3.43Å; K191-Q195 VanDerWaalsContact O-N 3.11Å; Q192-Q195 CarbonylContact O-C 3.5Å; Q192-Q195 WeakPolarHBondContact O-CA 3.28Å; Q192-Q195 WeakPolarHBondContact O-CB 3.43Å; Q192-Q195 PolarHBondContact O-N 3.16Å; Q192-Q195 VanDerWaalsContact O-N 3.08Å; L193-Q195 VanDerWaalsContact C-N 3.25Å; L193-Q195 PolarHBondContact O-N 2.98Å; Q195-Y197 HydrophobicContact CB-CD2 3.74Å; Q195-Y197 HydrophobicContact CB-CE2 4.14Å
196G81.3Confident78Confident29 Ų2985 Ų8530%0.29940%0.401SS..THydrogen-bonded Turntrans85.36.3-178.300000115.3Y129 Q192 L193 E194 Y198Y129-G196 VanDerWaalsContact CB-CA 3.46Å; Q192-G196 PolarHBondContact O-N 3.04Å; Q192-G196 VanDerWaalsContact O-N 3.1Å; L193-G196 PolarHBondContact O-N 2.86Å; E194-G196 VanDerWaalsContact C-N 3.25Å; E194-G196 PolarHBondContact O-N 3.24Å; G196-Y198 PolarHBondContact O-N 3.03Å
197Y81.1Confident75.7Confident161 Ų16186 Ų8663%0.63141%0.409SS*.  trans-86.3100.9169.7-62.5-73.5000108.4Q192 Q195Q192-Y197 CarbonylContact C-O 3.59Å; Q192-Y197 VanDerWaalsContact C-O 3.25Å; Q192-Y197 PolarHBondContact O-N 3.11Å; Q195-Y197 HydrophobicContact CB-CD2 3.74Å; Q195-Y197 HydrophobicContact CB-CE2 4.14Å
198Y75.7Confident73.1Confident56 Ų5685.9 Ų85.922%0.2242%0.417CS..  trans-99.6115.4171.9176.7-128000109.6F135 E139 L193 G196 P200F135-Y198 HydrophobicContact CB-CE2 4.42Å; F135-Y198 HydrophobicContact CD1-CE1 4.15Å; F135-Y198 AromaticContact CD1-CE2 3.95Å; F135-Y198 HydrophobicContact CD1-CE2 3.95Å; F135-Y198 AromaticContact CD1-CZ 3.75Å; F135-Y198 HydrophobicContact CE1-CD1 4.33Å; F135-Y198 AromaticContact CE1-CE1 3.85Å; F135-Y198 HydrophobicContact CE1-CE1 3.85Å; F135-Y198 HydrophobicContact CE1-CE2 4.47Å; F135-Y198 AromaticContact CE1-CZ 3.93Å; F135-Y198 HydrophobicContact CG-CD2 4.47Å; F135-Y198 HydrophobicContact CG-CE2 4.23Å; F135-Y198 HydrophobicContact CZ-CD1 4.41Å; F135-Y198 HydrophobicContact CZ-CE1 4.35Å; E139-Y198 WeakPolarHBondContact OE1-CE2 3.3Å; L193-Y198 HydrophobicContact CD2-CD2 3.51Å; L193-Y198 HydrophobicContact CD2-CE2 4.32Å; L193-Y198 HydrophobicContact CD2-CG 4.31Å; G196-Y198 PolarHBondContact O-N 3.03Å; Y198-P200 HydrophobicContact CD1-CG 4.03Å; Y198-P200 HydrophobicContact CE1-CB 4.21Å; Y198-P200 HydrophobicContact CE1-CG 3.65Å; Y198-P200 WeakPolarHBondContact O-CD 3.43Å
199D74.8Confident70.5Confident73 Ų7390.4 Ų90.439%0.3943%0.429SS..  trans-105.5103169.8-174.8-5.1000109.7S201 F202D199-S201 PolarHBondContact O-N 2.69Å; D199-S201 VanDerWaalsContact OD1-CB 3.3Å; D199-S201 WeakPolarHBondContact OD1-CB 3.39Å; D199-S201 PolarHBondContact OD1-N 3.49Å; D199-S201 PolarHBondContact OD1-OG 3.22Å; D199-S201 PolarHBondContact OD2-OG 3.37Å; D199-S201 VanDerWaalsContact OD2-OG 3.08Å; D199-F202 PolarHBondContact O-N 3.2Å
200P69.1Low68.1Low70 Ų7095.2 Ų95.246%0.45545%0.454SS..THydrogen-bonded Turntrans-60.2-14.3178.3-19.629.4000114.5Y198Y198-P200 HydrophobicContact CD1-CG 4.03Å; Y198-P200 HydrophobicContact CE1-CB 4.21Å; Y198-P200 HydrophobicContact CE1-CG 3.65Å; Y198-P200 WeakPolarHBondContact O-CD 3.43Å
201S68.6Low65.7Low42 Ų4298.3 Ų98.329%0.29447%0.468SS..THydrogen-bonded Turntrans-87.8-9.2-176.4750000114.3D199 W203 K204 N206D199-S201 PolarHBondContact O-N 2.69Å; D199-S201 VanDerWaalsContact OD1-CB 3.3Å; D199-S201 WeakPolarHBondContact OD1-CB 3.39Å; D199-S201 PolarHBondContact OD1-N 3.49Å; D199-S201 PolarHBondContact OD1-OG 3.22Å; D199-S201 PolarHBondContact OD2-OG 3.37Å; D199-S201 VanDerWaalsContact OD2-OG 3.08Å; S201-W203 VanDerWaalsContact C-N 3.3Å; S201-W203 PolarHBondContact O-N 3.47Å; S201-W203 VanDerWaalsContact O-N 3.13Å; S201-K204 CarbonylContact C-O 3.56Å; S201-K204 WeakPolarHBondContact CA-O 3.27Å; S201-K204 CarbonylContact O-C 3.25Å; S201-K204 PolarHBondContact O-N 3.4Å; S201-N206 WeakPolarHBondContact CB-OD1 3.36Å
202F72.9Confident63.2Low62 Ų6299.9 Ų99.927%0.27248%0.475SS..SBendtrans-53.3-42-172.4178.1-118.4000114A185 H189 D199A185-F202 HydrophobicContact CB-CE2 4.05Å; A185-F202 HydrophobicContact CB-CZ 3.92Å; A185-F202 VanDerWaalsContact O-CZ 3.28Å; A185-F202 WeakPolarHBondContact O-CZ 3.33Å; H189-F202 HydrophobicContact CB-CD1 3.67Å; H189-F202 HydrophobicContact CB-CD2 4.35Å; H189-F202 HydrophobicContact CB-CE1 3.31Å; H189-F202 HydrophobicContact CB-CE2 4.07Å; H189-F202 HydrophobicContact CB-CG 4.19Å; H189-F202 HydrophobicContact CB-CZ 3.59Å; H189-F202 AromaticContact CD2-CD1 3.3Å; H189-F202 WeakPolarHBondContact CD2-CD1 3.13Å; H189-F202 AromaticContact CD2-CE1 3.94Å; H189-F202 AromaticContact CD2-CG 3.36Å; H189-F202 WeakPolarHBondContact CD2-CG 3.27Å; H189-F202 AromaticContact CE1-CD1 3.86Å; H189-F202 AromaticContact CG-CD1 3.22Å; H189-F202 AromaticContact CG-CE1 3.42Å; H189-F202 VanDerWaalsContact CG-CE1 3.42Å; H189-F202 AromaticContact CG-CG 3.75Å; H189-F202 AromaticContact ND1-CD1 3.61Å; H189-F202 AromaticContact ND1-CE1 3.89Å; H189-F202 AromaticContact NE2-CD1 3.72Å; H189-F202 AromaticContact NE2-CG 3.88Å; D199-F202 PolarHBondContact O-N 3.2Å
203W66.4Low60.9Low87 Ų87102.3 Ų102.333%0.3349%0.49SS..SBendtrans-107.7-6.8172.5-61.1112.2000113.9L143 R186 S201L143-W203 HydrophobicContact CD1-CD2 3.7Å; L143-W203 HydrophobicContact CD1-CE3 3.61Å; L143-W203 HydrophobicContact CD1-CG 4.27Å; L143-W203 HydrophobicContact CD1-CH2 4.32Å; L143-W203 HydrophobicContact CD1-CZ2 4.38Å; L143-W203 HydrophobicContact CD1-CZ3 3.93Å; R186-W203 HydrophobicContact CB-CZ2 4.16Å; R186-W203 HydrophobicContact CG-CZ2 4.27Å; S201-W203 VanDerWaalsContact C-N 3.3Å; S201-W203 PolarHBondContact O-N 3.47Å; S201-W203 VanDerWaalsContact O-N 3.13Å
204K61.5Low58.9Low59 Ų59104.3 Ų104.326%0.25750%0.498SS..SBendtrans-110.8109.1-173.2-64.8-178.1-177.3-179.10109.2E142 S201 N206 F211E142-K204 IonicContact OE1-NZ 3.57Å; E142-K204 PolarHBondContact OE1-NZ 2.64Å; E142-K204 WeakPolarHBondContact OE2-CE 3.43Å; E142-K204 IonicContact OE2-NZ 3.29Å; E142-K204 PolarHBondContact OE2-NZ 3.39Å; S201-K204 CarbonylContact C-O 3.56Å; S201-K204 WeakPolarHBondContact CA-O 3.27Å; S201-K204 CarbonylContact O-C 3.25Å; S201-K204 PolarHBondContact O-N 3.4Å; K204-N206 PolarHBondContact O-N 3.42Å; K204-F211 HydrophobicContact CD-CE1 4.33Å
205R47Very low56.7Low212 Ų212103.4 Ų103.480%0.850%0.502SS*.  trans-56.2133.2166.4-149.7175.3168.3171.1-4.3107.9D207R205-D207 PolarHBondContact O-N 2.99Å
206N39.9Very low54.6Low145 Ų14599.3 Ų99.378%0.77548%0.484SS*.SBendtrans-5719.6-171.5-71.7-18.1000117.5S201 K204 A208S201-N206 WeakPolarHBondContact CB-OD1 3.36Å; K204-N206 PolarHBondContact O-N 3.42Å; N206-A208 PolarHBondContact O-N 3.04Å
207D42Very low52.6Low63 Ų6399.8 Ų99.834%0.33748%0.483SS..  trans-88.8105.7174.5-95.9-52.6000110.3R205 R209 L210R205-D207 PolarHBondContact O-N 2.99Å; D207-R209 PolarHBondContact O-N 3.48Å; D207-R209 IonicContact OD1-CZ 3.56Å; D207-R209 IonicContact OD1-NE 2.8Å; D207-R209 PolarHBondContact OD1-NE 2.96Å; D207-R209 IonicContact OD1-NH2 2.9Å; D207-R209 PolarHBondContact OD1-NH2 2.71Å; D207-L210 HydrophobicContact CB-CB 4.42Å; D207-L210 HydrophobicContact CB-CD1 3.99Å; D207-L210 HydrophobicContact CB-CG 4.2Å; D207-L210 WeakPolarHBondContact O-CB 3.39Å; D207-L210 PolarHBondContact O-N 3.08Å
208A39.1Very low50.6Low76 Ų76100.4 Ų100.463%0.62850%0.496SS*.G310 helixtrans-57.4-16.117000000113.4N206 L210 F211N206-A208 PolarHBondContact O-N 3.04Å; A208-L210 VanDerWaalsContact C-N 3.33Å; A208-F211 HydrophobicContact CB-CD2 4.13Å; A208-F211 HydrophobicContact CB-CE2 4.26Å; A208-F211 VanDerWaalsContact O-CD2 3.26Å; A208-F211 WeakPolarHBondContact O-CD2 3.41Å; A208-F211 PolarHBondContact O-N 3.14Å
209R37.9Very low48.7Very low209 Ų209106.6 Ų106.679%0.78952%0.524SS*.G310 helixtrans-74.3-20.4173.9-67.3175.2-73.9179.8-1.7113.6D207 F211D207-R209 PolarHBondContact O-N 3.48Å; D207-R209 IonicContact OD1-CZ 3.56Å; D207-R209 IonicContact OD1-NE 2.8Å; D207-R209 PolarHBondContact OD1-NE 2.96Å; D207-R209 IonicContact OD1-NH2 2.9Å; D207-R209 PolarHBondContact OD1-NH2 2.71Å; R209-F211 VanDerWaalsContact C-N 3.31Å
210L40.6Very low46.8Very low103 Ų103104.7 Ų104.754%0.53952%0.519SS..G310 helixtrans-86-2.8175.4-76.8167.5000112.8D207 A208 K212D207-L210 HydrophobicContact CB-CB 4.42Å; D207-L210 HydrophobicContact CB-CD1 3.99Å; D207-L210 HydrophobicContact CB-CG 4.2Å; D207-L210 WeakPolarHBondContact O-CB 3.39Å; D207-L210 PolarHBondContact O-N 3.08Å; A208-L210 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 3.19Å
211F40.2Very low45.3Very low133 Ų133106.2 Ų106.258%0.58353%0.529SS*.  trans-65.473.7155.1-65.5-67.4000108.2K204 A208 R209 N213K204-F211 HydrophobicContact CD-CE1 4.33Å; A208-F211 HydrophobicContact CB-CD2 4.13Å; A208-F211 HydrophobicContact CB-CE2 4.26Å; A208-F211 VanDerWaalsContact O-CD2 3.26Å; A208-F211 WeakPolarHBondContact O-CD2 3.41Å; A208-F211 PolarHBondContact O-N 3.14Å; R209-F211 VanDerWaalsContact C-N 3.31Å; F211-N213 PolarHBondContact O-N 2.9Å
212K40Very low43.8Very low156 Ų156110 Ų11068%0.67854%0.543SS*.  trans-63.1102.7152.4-80.8-176178177.20103.8L210 Y214L210-K212 PolarHBondContact O-N 3.19Å; K212-Y214 PolarHBondContact O-N 2.8Å
213N40.1Very low42.2Very low131 Ų131111.2 Ų111.270%0.70155%0.553SS**  trans-48.8100153.9-71-21.6000104.4F211 T215F211-N213 PolarHBondContact O-N 2.9Å; N213-T215 HydrophobicContact CB-CG2 3.86Å; N213-T215 PolarHBondContact O-N 3.23Å
214Y46.4Very low40.8Very low48 Ų48112.7 Ų112.719%0.18856%0.562CS.*  trans-63.888.2161-45-80.3000102.6Y145 K212 I216Y145-Y214 HydrophobicContact CD1-CD1 4.49Å; Y145-Y214 HydrophobicContact CD1-CE1 4.18Å; Y145-Y214 AromaticContact CE1-CD1 3.87Å; Y145-Y214 HydrophobicContact CE1-CD1 3.87Å; Y145-Y214 AromaticContact CE1-CE1 3.92Å; Y145-Y214 HydrophobicContact CE1-CE1 3.92Å; K212-Y214 PolarHBondContact O-N 2.8Å; Y214-I216 PolarHBondContact O-N 2.63Å
215T38.5Very low40Very low124 Ų124111 Ų11176%0.76156%0.561SS**  trans-72.578.1177.449.80000105.8N213N213-T215 HydrophobicContact CB-CG2 3.86Å; N213-T215 PolarHBondContact O-N 3.23Å
216I44Very low39.7Very low46 Ų46102.9 Ų102.924%0.23654%0.544CS..  trans-106.1-8.7177.3-60.3179.4000110.6G107 F108 D111 Y214G107-I216 VanDerWaalsContact CA-CD1 3.46Å; F108-I216 HydrophobicContact CD1-CG2 3.99Å; F108-I216 HydrophobicContact CE1-CG2 4Å; F108-I216 HydrophobicContact CG-CG2 4.39Å; F108-I216 HydrophobicContact CZ-CG2 4.43Å; D111-I216 VanDerWaalsContact OD2-C 3.27Å; Y214-I216 PolarHBondContact O-N 2.63Å
217S38.3Very low39.7Very low39 Ų39101.5 Ų101.527%0.27354%0.54SS..  trans-145.6109.5166.5520000112.9D111 F219D111-S217 WeakPolarHBondContact OD2-CB 3.45Å; D111-S217 PolarHBondContact OD2-N 2.79Å; D111-S217 PolarHBondContact OD2-OG 2.85Å; S217-F219 PolarHBondContact O-N 3.29Å
218L38.9Very low39.5Very low175 Ų175106.2 Ų106.292%0.91656%0.558SS**THydrogen-bonded Turntrans-65.8-5.9155.9-144.389.4000111.6
219F35.4Very low39.7Very low185 Ų185111.1 Ų111.181%0.81156%0.56SS**THydrogen-bonded Turntrans-111.910.2-169.3-70-74.6000114.7S217 P221S217-F219 PolarHBondContact O-N 3.29Å; F219-P221 WeakPolarHBondContact O-CD 3.43Å; F219-P221 VanDerWaalsContact O-N 3.09Å
220A36.3Very low39.7Very low34 Ų34103 Ų10328%0.28154%0.541SS..  trans-61.3117.5168.800000108.1M222A220-M222 PolarHBondContact O-N 2.89Å; A220-M222 VanDerWaalsContact O-N 3.07Å
221P37.9Very low39.7Very low101 Ų101104.8 Ų104.866%0.65655%0.545SS*.  trans-61.7119.9177.824.8-31.3000107.6F219 D223F219-P221 WeakPolarHBondContact O-CD 3.43Å; F219-P221 VanDerWaalsContact O-N 3.09Å; P221-D223 PolarHBondContact O-N 3.41Å; P221-D223 VanDerWaalsContact O-N 3.09Å
222M37Very low39.7Very low121 Ų121104.1 Ų104.160%0.59654%0.538SS*.  trans-65.2111168.2-76.8-125.8-8000107.8A220 F224A220-M222 PolarHBondContact O-N 2.89Å; A220-M222 VanDerWaalsContact O-N 3.07Å; M222-F224 HydrophobicContact CB-CD2 4.35Å; M222-F224 HydrophobicContact CB-CE2 3.88Å; M222-F224 HydrophobicContact CB-CZ 4.11Å; M222-F224 HydrophobicContact CE-CE1 4.27Å; M222-F224 HydrophobicContact CE-CZ 3.88Å; M222-F224 VanDerWaalsContact O-CD2 3.28Å; M222-F224 WeakPolarHBondContact O-CD2 2.96Å; M222-F224 PolarHBondContact O-N 3.46Å
223D39.2Very low40.1Very low88 Ų8899.1 Ų99.147%0.47152%0.519SS..  trans-69.494.4171.2-92.5-25.1000109.8N119 P221 G225N119-D223 PolarHBondContact OD1-OD2 2.96Å; P221-D223 PolarHBondContact O-N 3.41Å; P221-D223 VanDerWaalsContact O-N 3.09Å; D223-G225 PolarHBondContact O-N 3.04Å
224F36.2Very low40.7Very low118 Ų11896.9 Ų96.952%0.51851%0.507SS..THydrogen-bonded Turntrans-72.20.9169.2-67.7-75.4000112.9M222 G226 V227 F228M222-F224 HydrophobicContact CB-CD2 4.35Å; M222-F224 HydrophobicContact CB-CE2 3.88Å; M222-F224 HydrophobicContact CB-CZ 4.11Å; M222-F224 HydrophobicContact CE-CE1 4.27Å; M222-F224 HydrophobicContact CE-CZ 3.88Å; M222-F224 VanDerWaalsContact O-CD2 3.28Å; M222-F224 WeakPolarHBondContact O-CD2 2.96Å; M222-F224 PolarHBondContact O-N 3.46Å; F224-G226 PolarHBondContact O-N 3.46Å; F224-G226 VanDerWaalsContact O-N 3.16Å; F224-V227 PolarHBondContact O-N 2.96Å; F224-F228 HydrophobicContact CB-CD2 4.28Å; F224-F228 HydrophobicContact CB-CE2 4.28Å; F224-F228 PolarHBondContact O-N 3.34Å
225G44.8Very low41.3Very low23 Ų2397 Ų9724%0.23751%0.51CS..Hα-helixtrans-57.8-30.5-177.200000114.1D223 R229D223-G225 PolarHBondContact O-N 3.04Å; G225-R229 VanDerWaalsContact O-CB 3.27Å; G225-R229 WeakPolarHBondContact O-CB 3.35Å; G225-R229 PolarHBondContact O-N 3.16Å; G225-R229 VanDerWaalsContact O-N 3.08Å
226G41.2Very low42.4Very low43 Ų4392.2 Ų92.244%0.44348%0.482SS..Hα-helixtrans-77.1-20.5177.500000114.8F224F224-G226 PolarHBondContact O-N 3.46Å; F224-G226 VanDerWaalsContact O-N 3.16Å
227V38.7Very low43.1Very low115 Ų11598.5 Ų98.570%0.69751%0.511SS*.Hα-helixtrans-83.4-36.4179.6-177.20000110.6F224F224-V227 PolarHBondContact O-N 2.96Å
228F39.4Very low44.4Very low162 Ų162101.4 Ų101.471%0.71152%0.523SS*.Hα-helixtrans-91.5-25.5-179.3-68.8-72.6000114F224 G230F224-F228 HydrophobicContact CB-CD2 4.28Å; F224-F228 HydrophobicContact CB-CE2 4.28Å; F224-F228 PolarHBondContact O-N 3.34Å; F228-G230 PolarHBondContact O-N 3.43Å
229R43.3Very low45.8Very low180 Ų18097.2 Ų97.268%0.67951%0.506SS*.SBendtrans-94.185.9168.1-69.9-176.3-87.5-110.82.6108.7G225 K231G225-R229 VanDerWaalsContact O-CB 3.27Å; G225-R229 WeakPolarHBondContact O-CB 3.35Å; G225-R229 PolarHBondContact O-N 3.16Å; G225-R229 VanDerWaalsContact O-N 3.08Å; R229-K231 PolarHBondContact O-N 3.34Å
230G36.3Very low47.9Very low38 Ų3894.7 Ų94.739%0.39250%0.497SS..  trans-48.4118.9166.500000108.7F228 R232F228-G230 PolarHBondContact O-N 3.43Å; G230-R232 PolarHBondContact O-N 3.49Å
231K40.9Very low49.9Very low141 Ų14196.2 Ų96.261%0.61350%0.496SS*.SBendtrans-53.894.4-169.5-68.5-173.6177.8-174.90111.6R229R229-K231 PolarHBondContact O-N 3.34Å
232R39.9Very low51.7Low118 Ų11891.8 Ų91.845%0.44547%0.466SS..SBendtrans-147.2119167-80.7-172-85.3175.4-5.7105.9G230 N259G230-R232 PolarHBondContact O-N 3.49Å; R232-N259 VanDerWaalsContact NH2-CG 3.26Å; R232-N259 PolarHBondContact NH2-ND2 3.23Å; R232-N259 PolarHBondContact NH2-OD1 3.39Å
233D48.3Very low53.9Low51 Ų5192.6 Ų92.627%0.27347%0.466SS..  trans30.4116.3-176-55.2-21.6000116.8L235 W254D233-L235 PolarHBondContact O-N 2.9Å; D233-W254 WeakPolarHBondContact OD2-CZ2 3.43Å
234N53.4Low56Low85 Ų8595.1 Ų95.146%0.45547%0.47SS..  trans-54.8131.2169.2-67.1-19.5000109.1Y123 S236Y123-N234 HydrophobicContact CE2-CB 4.23Å; Y123-N234 PolarHBondContact O-ND2 3.02Å; N234-S236 PolarHBondContact O-N 3.39Å
235L59.5Low58Low49 Ų4990.7 Ų90.726%0.25745%0.449SS..  trans-55.3110.9173.6-159.479.1000107.6F23 V26 L27 D30 D233 Q237 Y242F23-L235 HydrophobicContact CD2-CD2 4.15Å; F23-L235 HydrophobicContact CE2-CD2 3.93Å; V26-L235 HydrophobicContact CG1-CD1 3.85Å; V26-L235 HydrophobicContact CG1-CD2 3.75Å; V26-L235 HydrophobicContact CG1-CG 3.57Å; L27-L235 HydrophobicContact CD2-CD1 3.72Å; L27-L235 HydrophobicContact CD2-CD2 3.8Å; L27-L235 HydrophobicContact CD2-CG 4.45Å; L27-L235 HydrophobicContact CG-CD1 4.45Å; L27-L235 HydrophobicContact CG-CD2 3.95Å; D30-L235 HydrophobicContact CB-CD1 4.04Å; D30-L235 VanDerWaalsContact OD2-CD1 3.27Å; D30-L235 WeakPolarHBondContact OD2-CD1 3.34Å; D233-L235 PolarHBondContact O-N 2.9Å; L235-Q237 PolarHBondContact O-N 3.16Å; L235-Y242 WeakPolarHBondContact CD1-OH 3.19Å; L235-Y242 VanDerWaalsContact CG-OH 3.3Å; L235-Y242 WeakPolarHBondContact CG-OH 3.25Å
236S61.9Low59.7Low24 Ų2494.5 Ų94.517%0.16846%0.461CS..  trans-69.3133.5177.2-1780000108.1N234 D238 Y241 Y242N234-S236 PolarHBondContact O-N 3.39Å; S236-D238 PolarHBondContact O-N 3.32Å; S236-D238 PolarHBondContact OG-N 3.42Å; S236-Y241 WeakPolarHBondContact OG-CB 3.49Å; S236-Y242 PolarHBondContact N-OH 2.99Å; S236-Y242 WeakPolarHBondContact O-CE2 3.49Å
237Q59.3Low62Low179 Ų17997.7 Ų97.784%0.83646%0.464SS*.SBendtrans-71.2-15.7173.4-67-178.3-8.600111.6L235 P239L235-Q237 PolarHBondContact O-N 3.16Å; Q237-P239 WeakPolarHBondContact O-CD 3.41Å
238D64.9Low64.2Low99 Ų9993.3 Ų93.353%0.52944%0.44SS..  trans-90.4117.9-175.7-60.3-28.9000111S236 E240 Y241S236-D238 PolarHBondContact O-N 3.32Å; S236-D238 PolarHBondContact OG-N 3.42Å; D238-E240 PolarHBondContact O-N 3.4Å; D238-E240 VanDerWaalsContact O-N 3.16Å; D238-Y241 VanDerWaalsContact O-CB 3.29Å; D238-Y241 WeakPolarHBondContact O-CB 3.27Å; D238-Y241 PolarHBondContact O-N 2.82Å
239P68.8Low66.3Low87 Ų8789.3 Ų89.357%0.56542%0.422SS*.Hα-helixtrans-59.8-28.4178.4-24.934.8000113.8Q237 Y241 Y242Q237-P239 WeakPolarHBondContact O-CD 3.41Å; P239-Y241 VanDerWaalsContact C-N 3.27Å; P239-Y241 PolarHBondContact O-N 3.44Å; P239-Y242 PolarHBondContact O-N 3.44Å
240E78.5Confident68.3Low133 Ų13385 Ų8562%0.62143%0.425SS*.Hα-helixtrans-67.6-24.4177.7-64.2-169.9163.600113.6D238 Y242 K243 R244D238-E240 PolarHBondContact O-N 3.4Å; D238-E240 VanDerWaalsContact O-N 3.16Å; E240-Y242 VanDerWaalsContact C-N 3.27Å; E240-Y242 PolarHBondContact O-N 3.4Å; E240-K243 PolarHBondContact O-N 2.87Å; E240-R244 WeakPolarHBondContact O-CG 3.26Å; E240-R244 PolarHBondContact O-N 2.88Å; E240-R244 VanDerWaalsContact O-N 3.09Å; E240-R244 PolarHBondContact O-NE 3.45Å
241Y78.9Confident70.8Confident66 Ų6689.9 Ų89.926%0.25944%0.436SS..Hα-helixtrans-60.3-41.1174.5170.1-95.7000111S236 D238 P239 R244 R245S236-Y241 WeakPolarHBondContact OG-CB 3.49Å; D238-Y241 VanDerWaalsContact O-CB 3.29Å; D238-Y241 WeakPolarHBondContact O-CB 3.27Å; D238-Y241 PolarHBondContact O-N 2.82Å; P239-Y241 VanDerWaalsContact C-N 3.27Å; P239-Y241 PolarHBondContact O-N 3.44Å; Y241-R244 PolarHBondContact O-N 3.09Å; Y241-R245 WeakPolarHBondContact O-CB 3.32Å; Y241-R245 PolarHBondContact O-N 3.5Å
242Y76.1Confident72.7Confident7 Ų786.3 Ų86.33%0.02744%0.439CS..Hα-helixtrans-68.6-40.5-179.5-66.3-73.6000112.6V26 I29 D30 L235 S236 P239 E240 R245 E246V26-Y242 HydrophobicContact CB-CE2 4.34Å; V26-Y242 HydrophobicContact CG1-CD2 4.38Å; V26-Y242 HydrophobicContact CG1-CE2 3.38Å; V26-Y242 VanDerWaalsContact CG1-OH 3.29Å; V26-Y242 WeakPolarHBondContact CG1-OH 3.31Å; V26-Y242 HydrophobicContact CG2-CE2 4.29Å; I29-Y242 HydrophobicContact CG2-CD1 4.07Å; I29-Y242 HydrophobicContact CG2-CG 3.95Å; D30-Y242 HydrophobicContact CB-CD1 4.26Å; D30-Y242 HydrophobicContact CB-CE1 3.53Å; D30-Y242 VanDerWaalsContact CG-CE1 3.45Å; D30-Y242 PolarHBondContact OD2-OH 3.42Å; L235-Y242 WeakPolarHBondContact CD1-OH 3.19Å; L235-Y242 VanDerWaalsContact CG-OH 3.3Å; L235-Y242 WeakPolarHBondContact CG-OH 3.25Å; S236-Y242 PolarHBondContact N-OH 2.99Å; S236-Y242 WeakPolarHBondContact O-CE2 3.49Å; P239-Y242 PolarHBondContact O-N 3.44Å; E240-Y242 VanDerWaalsContact C-N 3.27Å; E240-Y242 PolarHBondContact O-N 3.4Å; Y242-R245 PolarHBondContact O-N 2.9Å; Y242-E246 WeakPolarHBondContact O-CG 3.28Å; Y242-E246 PolarHBondContact O-N 2.49Å
243K83Confident74.7Confident138 Ų13887.1 Ų87.160%0.645%0.448SS*.Hα-helixtrans-58.2-49.3172.5-67.7-177.9178.7178.80111.2E240 R245 E246 E247E240-K243 PolarHBondContact O-N 2.87Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 3.45Å; K243-E246 PolarHBondContact O-N 2.86Å; K243-E247 WeakPolarHBondContact O-CG 3.27Å; K243-E247 PolarHBondContact O-N 3.36Å
244R82.6Confident75.6Confident142 Ų14287.6 Ų87.654%0.53645%0.446SS..Hα-helixtrans-60.6-37.9177.2-76.3-175.3-82.3166.5-10.3112.7E240 Y241 E247 A248E240-R244 WeakPolarHBondContact O-CG 3.26Å; E240-R244 PolarHBondContact O-N 2.88Å; E240-R244 VanDerWaalsContact O-N 3.09Å; E240-R244 PolarHBondContact O-NE 3.45Å; Y241-R244 PolarHBondContact O-N 3.09Å; R244-E247 PolarHBondContact O-N 2.98Å; R244-A248 WeakPolarHBondContact O-CB 3.23Å; R244-A248 PolarHBondContact O-N 2.93Å
245R79.1Confident76Confident25 Ų2592.5 Ų92.59%0.09446%0.463CS..Hα-helixtrans-67.2-41.4176.5-176.6178.5169.3-145.33.3112D30 Y241 Y242 K243 A248 K249 W254D30-R245 IonicContact OD1-CZ 3.69Å; D30-R245 IonicContact OD1-NH1 2.63Å; D30-R245 PolarHBondContact OD1-NH1 2.93Å; D30-R245 IonicContact OD1-NH2 3.93Å; Y241-R245 WeakPolarHBondContact O-CB 3.32Å; Y241-R245 PolarHBondContact O-N 3.5Å; Y242-R245 PolarHBondContact O-N 2.9Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 3.45Å; R245-A248 PolarHBondContact O-N 3.09Å; R245-K249 WeakPolarHBondContact O-CB 3.11Å; R245-K249 WeakPolarHBondContact O-CG 3.41Å; R245-K249 PolarHBondContact O-N 3.24Å; R245-W254 HydrophobicContact CG-CD2 4.41Å; R245-W254 HydrophobicContact CG-CZ2 4.44Å; R245-W254 VanDerWaalsContact NH2-CH2 3.25Å
246E80.5Confident76Confident102 Ų10295 Ų9548%0.47747%0.473SS..Hα-helixtrans-64-42.4174.3-73.4-177.4169.200111.5Y242 K243 K249 A250Y242-E246 WeakPolarHBondContact O-CG 3.28Å; Y242-E246 PolarHBondContact O-N 2.49Å; K243-E246 PolarHBondContact O-N 2.86Å; E246-K249 PolarHBondContact O-N 3.36Å; E246-A250 WeakPolarHBondContact O-CB 3.47Å; E246-A250 PolarHBondContact O-N 2.88Å
247E88.5Confident75.5Confident111 Ų11199.9 Ų99.952%0.51949%0.494SS..Hα-helixtrans-61.4-43.7173.3-71171.3-170.300112.2K243 R244 K249 A250 K251K243-E247 WeakPolarHBondContact O-CG 3.27Å; K243-E247 PolarHBondContact O-N 3.36Å; R244-E247 PolarHBondContact O-N 2.98Å; E247-K249 VanDerWaalsContact C-N 3.34Å; E247-A250 PolarHBondContact O-N 3.46Å; E247-K251 WeakPolarHBondContact O-CG 3.45Å; E247-K251 PolarHBondContact O-N 3.18Å
248A85.1Confident74.4Confident22 Ų2295.7 Ų95.718%0.18248%0.482CS..Hα-helixtrans-65.9-36.2176.600000112.2R244 R245 K251 G252 E253 W254R244-A248 WeakPolarHBondContact O-CB 3.23Å; R244-A248 PolarHBondContact O-N 2.93Å; R245-A248 PolarHBondContact O-N 3.09Å; A248-K251 PolarHBondContact O-N 3.45Å; A248-G252 PolarHBondContact O-N 2.95Å; A248-G252 VanDerWaalsContact O-N 3.16Å; A248-E253 PolarHBondContact O-N 3.28Å; A248-W254 HydrophobicContact CB-CB 4.04Å; A248-W254 PolarHBondContact O-N 3.4Å
249K82.5Confident73.4Confident79 Ų7992.4 Ų92.434%0.34347%0.465SS..Hα-helixtrans-64.9-43.8171.3-79.9-176.8172-169.30111.3Y34 R245 E246 E247 K251 G252 W254Y34-K249 PolarHBondContact OH-NZ 2.97Å; R245-K249 WeakPolarHBondContact O-CB 3.11Å; R245-K249 WeakPolarHBondContact O-CG 3.41Å; R245-K249 PolarHBondContact O-N 3.24Å; E246-K249 PolarHBondContact O-N 3.36Å; E247-K249 VanDerWaalsContact C-N 3.34Å; K249-K251 VanDerWaalsContact C-N 3.28Å; K249-K251 PolarHBondContact O-N 3.28Å; K249-G252 PolarHBondContact O-N 3.37Å; K249-W254 HydrophobicContact CD-CE3 4.2Å; K249-W254 HydrophobicContact CG-CB 3.89Å; K249-W254 HydrophobicContact CG-CD2 4.08Å; K249-W254 HydrophobicContact CG-CE3 3.84Å; K249-W254 HydrophobicContact CG-CG 4.1Å
250A86.3Confident71.9Confident90 Ų9091.8 Ų91.874%0.74446%0.461SS*.Hα-helixtrans-63.5-33.8177.300000112.4E246 E247 G252E246-A250 WeakPolarHBondContact O-CB 3.47Å; E246-A250 PolarHBondContact O-N 2.88Å; E247-A250 PolarHBondContact O-N 3.46Å; A250-G252 VanDerWaalsContact C-N 3.29Å
251K89.1Confident69.9Low139 Ų13993.4 Ų93.460%0.60447%0.466SS*.THydrogen-bonded Turntrans-78.2-8.1173.1-68.5174.3-175.8176.50114E247 A248 K249 E253E247-K251 WeakPolarHBondContact O-CG 3.45Å; E247-K251 PolarHBondContact O-N 3.18Å; A248-K251 PolarHBondContact O-N 3.45Å; K249-K251 VanDerWaalsContact C-N 3.28Å; K249-K251 PolarHBondContact O-N 3.28Å; K251-E253 HydrophobicContact CB-CG 3.96Å; K251-E253 PolarHBondContact O-N 3.23Å
252G81Confident67.9Low67 Ų6794.1 Ų94.169%0.69148%0.48SS*.THydrogen-bonded Turntrans70.312.2-175.300000114.6A248 K249 A250A248-G252 PolarHBondContact O-N 2.95Å; A248-G252 VanDerWaalsContact O-N 3.16Å; K249-G252 PolarHBondContact O-N 3.37Å; A250-G252 VanDerWaalsContact C-N 3.29Å
253E80.5Confident65.8Low135 Ų13598.8 Ų98.863%0.63151%0.51SS*.  trans-85.9-16.3-177.2-67.6171.5172.700112.4A248 K251 K255A248-E253 PolarHBondContact O-N 3.28Å; K251-E253 HydrophobicContact CB-CG 3.96Å; K251-E253 PolarHBondContact O-N 3.23Å; E253-K255 PolarHBondContact O-N 3.34Å
254W69Low63Low61 Ų61102.5 Ų102.523%0.23152%0.52CS..  trans-82.7115.8-172.7-165.276.4000112.5D233 R245 A248 K249 E256D233-W254 WeakPolarHBondContact OD2-CZ2 3.43Å; R245-W254 HydrophobicContact CG-CD2 4.41Å; R245-W254 HydrophobicContact CG-CZ2 4.44Å; R245-W254 VanDerWaalsContact NH2-CH2 3.25Å; A248-W254 HydrophobicContact CB-CB 4.04Å; A248-W254 PolarHBondContact O-N 3.4Å; K249-W254 HydrophobicContact CD-CE3 4.2Å; K249-W254 HydrophobicContact CG-CB 3.89Å; K249-W254 HydrophobicContact CG-CD2 4.08Å; K249-W254 HydrophobicContact CG-CE3 3.84Å; K249-W254 HydrophobicContact CG-CG 4.1Å; W254-E256 HydrophobicContact CE3-CG 3.83Å; W254-E256 HydrophobicContact CH2-CB 4.41Å; W254-E256 HydrophobicContact CH2-CG 3.43Å; W254-E256 VanDerWaalsContact CH2-CG 3.43Å; W254-E256 HydrophobicContact CZ3-CB 4.23Å; W254-E256 HydrophobicContact CZ3-CG 3.01Å
255K60.5Low60.6Low187 Ų187104.8 Ų104.881%0.81355%0.553SS**PPolyproline II helixtrans-98.3121.7174.9-66.1-176.8-179.2178.30110.5E253 Q257E253-K255 PolarHBondContact O-N 3.34Å; K255-Q257 PolarHBondContact O-N 3.23Å
256E59.2Low59.7Low101 Ų101108.8 Ų108.847%0.47258%0.576SS.*PPolyproline II helixtrans-64.8129170.1-76.7-176.8-161.700110.4Y34 W254Y34-E256 WeakPolarHBondContact CE1-OE1 3.49Å; Y34-E256 VanDerWaalsContact CZ-OE1 3.29Å; Y34-E256 PolarHBondContact OH-OE1 2.83Å; W254-E256 HydrophobicContact CE3-CG 3.83Å; W254-E256 HydrophobicContact CH2-CB 4.41Å; W254-E256 HydrophobicContact CH2-CG 3.43Å; W254-E256 VanDerWaalsContact CH2-CG 3.43Å; W254-E256 HydrophobicContact CZ3-CB 4.23Å; W254-E256 HydrophobicContact CZ3-CG 3.01Å
257Q51.6Low58.6Low128 Ų128109.1 Ų109.160%0.59858%0.581SS**PPolyproline II helixtrans-61.1130.8165-69.9-83-19.800108.3K255 N259K255-Q257 PolarHBondContact O-N 3.23Å; Q257-N259 PolarHBondContact O-N 3.44Å
258P37Very low57Low90 Ų90109 Ų10958%0.58459%0.585SS**PPolyproline II helixtrans-60.1133.8-176.722.3-30.9000110.4P260P258-P260 WeakPolarHBondContact O-CD 3.39Å
259N43.7Very low55.3Low31 Ų31114.1 Ų114.117%0.16661%0.608CS.*PPolyproline II helixtrans-65.8125.5173.9177.220.7000108.6R232 Q257 F261 S262R232-N259 VanDerWaalsContact NH2-CG 3.26Å; R232-N259 PolarHBondContact NH2-ND2 3.23Å; R232-N259 PolarHBondContact NH2-OD1 3.39Å; Q257-N259 PolarHBondContact O-N 3.44Å; N259-F261 PolarHBondContact O-N 3.03Å; N259-F261 PolarHBondContact OD1-N 2.9Å; N259-S262 WeakPolarHBondContact CB-OG 3.46Å; N259-S262 PolarHBondContact O-N 3.21Å; N259-S262 PolarHBondContact O-OG 3.03Å
260P37.9Very low53.6Low74 Ų74116.3 Ų116.348%0.48163%0.625SS.*THydrogen-bonded Turntrans-58.7-20.9175.3-20.229.7000112.9P258P258-P260 WeakPolarHBondContact O-CD 3.39Å
261F35.3Very low51.4Low166 Ų166118.1 Ų118.173%0.72862%0.617SS**THydrogen-bonded Turntrans-89.1-4.6175.2-65.5-78.5000114.8N259N259-F261 PolarHBondContact O-N 3.03Å; N259-F261 PolarHBondContact OD1-N 2.9Å
262S37.6Very low48.7Very low81 Ų81116.6 Ų116.657%0.56662%0.618SS**SBendtrans-101.84.9172.867.50000113.3N259N259-S262 WeakPolarHBondContact CB-OG 3.46Å; N259-S262 PolarHBondContact O-N 3.21Å; N259-S262 PolarHBondContact O-OG 3.03Å
263V32.8Very low46.3Very low106 Ų106120.4 Ų120.464%0.64261%0.612SS**  trans-106.870.8172.7-170.10000107.7
264W23.7Very low43.4Very low216 Ų216119.2 Ų119.282%0.81861%0.611SS**  trans-137.1148.5168.5-91.769.9000107.5
265P32.7Very low41.1Very low189 Ų189124.5 Ų124.5100%1.22765%0.645SS**  trans-78.4017535.4-35.5000112.6

Retrieved 265 of 265 residues in 255.4 ms (Link to these results)

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